A0A087YH87_POEFO Loading...

Galactokinase

Catalyzes the transfer of a phosphate from ATP to alpha-D-galactose and participates in the first committed step in the catabolism of galactose.

AlphaFold DB , UniProt , Accession A0A087YH87, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 397 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
1I54.8Low66.9Low136 Ų13687.5 Ų87.570%0.69745%0.447SS*.  0-11.80-45.2179.3000114.1M3 V4 D366I1-M3 PolarHBondContact O-N 3.36Å; I1-V4 HydrophobicContact CG2-CB 4.29Å; I1-V4 HydrophobicContact CG2-CG2 3.99Å; I1-V4 PolarHBondContact O-N 3.15Å; I1-V4 VanDerWaalsContact O-N 3.16Å; I1-D366 VanDerWaalsContact N-CG 3.28Å; I1-D366 PolarHBondContact N-OD1 3.36Å; I1-D366 PolarHBondContact N-OD2 2.73Å; I1-D366 VanDerWaalsContact N-OD2 3.11Å
2S46Very low68.7Low121 Ų12185.1 Ų85.185%0.84644%0.44SS*.THydrogen-bonded Turntrans-66.1-11.1-171.570.80000116.4
3M57.5Low70.2Confident95 Ų9579.3 Ų79.347%0.46841%0.41SS..THydrogen-bonded Turntrans-104.83.3179.4-59.2-173.3-168.800113.7I1 I369 L370I1-M3 PolarHBondContact O-N 3.36Å; M3-I369 HydrophobicContact CB-CG2 4.14Å; M3-L370 HydrophobicContact CE-CD2 3.51Å; M3-L370 HydrophobicContact SD-CD2 3.61Å
4V61Low71.7Confident26 Ų2673.9 Ų73.916%0.15838%0.382CS..SBendtrans-77.6128.5174.2-1790000108.9I1 K6 I369 V384I1-V4 HydrophobicContact CG2-CB 4.29Å; I1-V4 HydrophobicContact CG2-CG2 3.99Å; I1-V4 PolarHBondContact O-N 3.15Å; I1-V4 VanDerWaalsContact O-N 3.16Å; V4-K6 PolarHBondContact O-N 3.25Å; V4-I369 HydrophobicContact CG2-CD1 3.81Å; V4-V384 HydrophobicContact CB-CG2 4.49Å; V4-V384 HydrophobicContact CG1-CB 4.37Å; V4-V384 HydrophobicContact CG1-CG2 3.92Å; V4-V384 HydrophobicContact CG2-CG2 3.66Å
5T62.5Low73Confident60 Ų6073.7 Ų73.737%0.36839%0.39SS..PPolyproline II helixtrans-61.4119.6176.9-55.60000109.8F7 T381T5-F7 HydrophobicContact CG2-CD2 4.05Å; T5-F7 HydrophobicContact CG2-CE2 3.49Å; T5-F7 VanDerWaalsContact CG2-CE2 3.49Å; T5-F7 HydrophobicContact CG2-CZ 3.94Å; T5-T381 HydrophobicContact CG2-CG2 4.33Å; T5-T381 WeakPolarHBondContact OG1-CG2 3.49Å
6K64.4Low74.1Confident203 Ų20373.1 Ų73.188%0.88339%0.387SS*.PPolyproline II helixtrans-82.1118.2175.3-66.1-177-179.4-179.80108.8V4V4-K6 PolarHBondContact O-N 3.25Å
7F67.3Low75.2Confident54 Ų5468.8 Ų68.824%0.23736%0.364CS..PPolyproline II helixtrans-100.7154.9168.3-71.6-96.6000109.9T5 D9 P62 F63 S136 P138 Y383T5-F7 HydrophobicContact CG2-CD2 4.05Å; T5-F7 HydrophobicContact CG2-CE2 3.49Å; T5-F7 VanDerWaalsContact CG2-CE2 3.49Å; T5-F7 HydrophobicContact CG2-CZ 3.94Å; F7-D9 PolarHBondContact O-N 2.88Å; F7-P62 HydrophobicContact CB-CB 3.68Å; F7-P62 HydrophobicContact CB-CG 3.44Å; F7-P62 VanDerWaalsContact CB-CG 3.44Å; F7-P62 HydrophobicContact CD2-CG 4.33Å; F7-P62 HydrophobicContact CG-CG 4.25Å; F7-F63 HydrophobicContact CD1-CE1 4.2Å; F7-F63 AromaticContact CD2-CE1 3.58Å; F7-F63 HydrophobicContact CD2-CE1 3.58Å; F7-F63 AromaticContact CD2-CZ 3.69Å; F7-F63 HydrophobicContact CD2-CZ 3.69Å; F7-F63 HydrophobicContact CE1-CE1 4.1Å; F7-F63 AromaticContact CE2-CE1 3.48Å; F7-F63 HydrophobicContact CE2-CE1 3.48Å; F7-F63 VanDerWaalsContact CE2-CE1 3.48Å; F7-F63 AromaticContact CE2-CZ 3.67Å; F7-F63 HydrophobicContact CE2-CZ 3.67Å; F7-F63 AromaticContact CG-CE1 3.96Å; F7-F63 HydrophobicContact CG-CE1 3.96Å; F7-F63 HydrophobicContact CG-CZ 4.42Å; F7-F63 AromaticContact CZ-CE1 3.75Å; F7-F63 HydrophobicContact CZ-CE1 3.75Å; F7-F63 HydrophobicContact CZ-CZ 4.36Å; F7-S136 WeakPolarHBondContact CD1-O 3.48Å; F7-P138 HydrophobicContact CE1-CG 4.44Å; F7-P138 HydrophobicContact CZ-CG 4.27Å; F7-Y383 AromaticContact CE2-CD1 3.63Å; F7-Y383 HydrophobicContact CE2-CD1 3.63Å; F7-Y383 AromaticContact CE2-CE1 3.43Å; F7-Y383 HydrophobicContact CE2-CE1 3.43Å; F7-Y383 VanDerWaalsContact CE2-CE1 3.43Å; F7-Y383 HydrophobicContact CZ-CD1 4.29Å; F7-Y383 AromaticContact CZ-CE1 3.65Å; F7-Y383 HydrophobicContact CZ-CE1 3.65Å
8P71.4Confident76.2Confident47 Ų4770 Ų7031%0.30536%0.363SS..PPolyproline II helixtrans-58132.8172.525.3-34.4000109.7T12 L13 P62P8-T12 HydrophobicContact CB-CG2 3.63Å; P8-L13 HydrophobicContact CB-CD2 4.17Å; P8-L13 HydrophobicContact CB-CG 4.11Å; P8-L13 HydrophobicContact CG-CD2 3.66Å; P8-L13 HydrophobicContact CG-CG 4Å; P8-P62 WeakPolarHBondContact O-CB 3.34Å
9D80.4Confident77.1Confident76 Ų7672.7 Ų72.741%0.40637%0.368SS..PPolyproline II helixtrans-66.8170.9170.662.437.8000111.1F7 W11 T12 L13F7-D9 PolarHBondContact O-N 2.88Å; D9-W11 PolarHBondContact O-N 3.48Å; D9-W11 PolarHBondContact OD1-N 3.29Å; D9-T12 PolarHBondContact O-N 3.47Å; D9-T12 WeakPolarHBondContact OD1-CB 3.48Å; D9-T12 PolarHBondContact OD1-N 2.99Å; D9-T12 PolarHBondContact OD1-OG1 3Å; D9-L13 PolarHBondContact O-N 3.32Å
10V84.1Confident77.9Confident2 Ų273.3 Ų73.31%0.01237%0.365CS..Hα-helixtrans-58.1-31.5-178.7650000112.7L14 C35 L61 V64 V66 L394V10-L14 VanDerWaalsContact O-CB 3.24Å; V10-L14 WeakPolarHBondContact O-CB 3.49Å; V10-L14 PolarHBondContact O-N 3.01Å; V10-C35 HydrophobicContact CG2-CB 4.24Å; V10-L61 HydrophobicContact CB-CD2 3.73Å; V10-L61 HydrophobicContact CG1-CD1 4.48Å; V10-L61 HydrophobicContact CG1-CD2 3.95Å; V10-V64 HydrophobicContact CB-CG2 4.12Å; V10-V64 HydrophobicContact CG2-CG2 4.07Å; V10-V66 HydrophobicContact CG2-CG2 4.06Å; V10-L394 HydrophobicContact CG2-CD1 3.79Å; V10-L394 HydrophobicContact CG2-CD2 4.19Å
11W87.1Confident78.7Confident142 Ų14269.8 Ų69.854%0.53835%0.348SS..Hα-helixtrans-77.9-34.9-177.9-60.8116.3000112D9 L14 S15D9-W11 PolarHBondContact O-N 3.48Å; D9-W11 PolarHBondContact OD1-N 3.29Å; W11-L14 HydrophobicContact CE3-CD2 3.78Å; W11-L14 HydrophobicContact CZ3-CD2 3.83Å; W11-L14 PolarHBondContact O-N 3.09Å; W11-S15 WeakPolarHBondContact O-CB 3.27Å; W11-S15 PolarHBondContact O-N 3.35Å; W11-S15 PolarHBondContact O-OG 2.97Å
12T88Confident80.5Confident59 Ų5965 Ų6536%0.36233%0.333SS..Hα-helixtrans-64.8-49.4171.6-54.40000109.6P8 D9 L14 S15 D16P8-T12 HydrophobicContact CB-CG2 3.63Å; D9-T12 PolarHBondContact O-N 3.47Å; D9-T12 WeakPolarHBondContact OD1-CB 3.48Å; D9-T12 PolarHBondContact OD1-N 2.99Å; D9-T12 PolarHBondContact OD1-OG1 3Å; T12-L14 VanDerWaalsContact C-N 3.33Å; T12-L14 PolarHBondContact O-N 3.47Å; T12-S15 PolarHBondContact O-N 2.93Å; T12-D16 PolarHBondContact O-N 3.23Å
13L88.6Confident82.7Confident10 Ų1065.2 Ų65.25%0.05232%0.32CS..Hα-helixtrans-59.2-42.6174.9-71.7173.9000112.5P8 D9 D16 A17 V64 V66 A134P8-L13 HydrophobicContact CB-CD2 4.17Å; P8-L13 HydrophobicContact CB-CG 4.11Å; P8-L13 HydrophobicContact CG-CD2 3.66Å; P8-L13 HydrophobicContact CG-CG 4Å; D9-L13 PolarHBondContact O-N 3.32Å; L13-D16 PolarHBondContact O-N 3.33Å; L13-A17 VanDerWaalsContact O-CB 3.3Å; L13-A17 WeakPolarHBondContact O-CB 3.38Å; L13-A17 PolarHBondContact O-N 3.28Å; L13-V64 HydrophobicContact CD1-CG2 3.65Å; L13-V66 HydrophobicContact CB-CB 4.4Å; L13-V66 HydrophobicContact CB-CG2 3.82Å; L13-V66 HydrophobicContact CD1-CG2 4.22Å; L13-A134 HydrophobicContact CD2-CB 4.29Å
14L91.4Very high84.3Confident4 Ų464.6 Ų64.62%0.02132%0.318CS..Hα-helixtrans-62.2-45.7176.1178.965.1000111.4V10 W11 T12 A17 R18 A33 V66 V68 L394 S395 L396V10-L14 VanDerWaalsContact O-CB 3.24Å; V10-L14 WeakPolarHBondContact O-CB 3.49Å; V10-L14 PolarHBondContact O-N 3.01Å; W11-L14 HydrophobicContact CE3-CD2 3.78Å; W11-L14 HydrophobicContact CZ3-CD2 3.83Å; W11-L14 PolarHBondContact O-N 3.09Å; T12-L14 VanDerWaalsContact C-N 3.33Å; T12-L14 PolarHBondContact O-N 3.47Å; L14-A17 PolarHBondContact O-N 3.42Å; L14-R18 HydrophobicContact CD1-CG 4.27Å; L14-R18 HydrophobicContact CG-CG 4.47Å; L14-R18 WeakPolarHBondContact O-CB 3.27Å; L14-R18 VanDerWaalsContact O-CG 3.23Å; L14-R18 WeakPolarHBondContact O-CG 3.48Å; L14-R18 PolarHBondContact O-N 3.23Å; L14-A33 HydrophobicContact CD1-CB 3.7Å; L14-V66 HydrophobicContact CB-CG1 4.43Å; L14-V66 HydrophobicContact CD1-CG1 4.07Å; L14-V68 HydrophobicContact CD1-CG2 3.55Å; L14-L394 HydrophobicContact CD1-CD1 4.19Å; L14-L394 HydrophobicContact CD2-CB 4.36Å; L14-L394 HydrophobicContact CD2-CD1 4.36Å; L14-S395 WeakPolarHBondContact CD2-O 3.37Å; L14-L396 HydrophobicContact CD1-CD2 4.32Å
15S90.8Very high85.7Confident71 Ų7163.8 Ų63.850%0.49731%0.313SS..Hα-helixtrans-63.2-43.1179.8-61.20000111.4W11 T12 R18 R19W11-S15 WeakPolarHBondContact O-CB 3.27Å; W11-S15 PolarHBondContact O-N 3.35Å; W11-S15 PolarHBondContact O-OG 2.97Å; T12-S15 PolarHBondContact O-N 2.93Å; S15-R18 PolarHBondContact O-N 3.41Å; S15-R19 WeakPolarHBondContact O-CB 3.34Å; S15-R19 PolarHBondContact O-N 3.34Å
16D90.6Very high86.7Confident64 Ų6465.1 Ų65.134%0.34233%0.33SS..Hα-helixtrans-65.1-44.5176.1-81.4-33.4000112.6T12 L13 R19 R20T12-D16 PolarHBondContact O-N 3.23Å; L13-D16 PolarHBondContact O-N 3.33Å; D16-R19 PolarHBondContact O-N 2.9Å; D16-R19 IonicContact OD1-NE 2.81Å; D16-R19 IonicContact OD1-NH2 2.82Å; D16-R20 WeakPolarHBondContact O-CB 3.26Å; D16-R20 WeakPolarHBondContact O-CG 3.46Å; D16-R20 PolarHBondContact O-N 3.38Å
17A92.8Very high87.5Confident0 Ų063.9 Ų63.90%033%0.327CS..Hα-helixtrans-63.3-41.6176.800000111.6L13 L14 Y21 V68 V132 A134L13-A17 VanDerWaalsContact O-CB 3.3Å; L13-A17 WeakPolarHBondContact O-CB 3.38Å; L13-A17 PolarHBondContact O-N 3.28Å; L14-A17 PolarHBondContact O-N 3.42Å; A17-Y21 VanDerWaalsContact O-CB 3.27Å; A17-Y21 WeakPolarHBondContact O-CB 3.3Å; A17-Y21 PolarHBondContact O-N 3.43Å; A17-V68 HydrophobicContact CB-CB 4.12Å; A17-V68 HydrophobicContact CB-CG2 3.6Å; A17-V132 HydrophobicContact CB-CG1 4.19Å; A17-A134 HydrophobicContact CB-CB 4.08Å
18R93.6Very high88.4Confident90 Ų9062.9 Ų62.934%0.3432%0.323SS..Hα-helixtrans-63.8-44.8175.4-76.4176.270.3176.610.3112.4L14 S15 Y21 G22 V68 L396L14-R18 HydrophobicContact CD1-CG 4.27Å; L14-R18 HydrophobicContact CG-CG 4.47Å; L14-R18 WeakPolarHBondContact O-CB 3.27Å; L14-R18 VanDerWaalsContact O-CG 3.23Å; L14-R18 WeakPolarHBondContact O-CG 3.48Å; L14-R18 PolarHBondContact O-N 3.23Å; S15-R18 PolarHBondContact O-N 3.41Å; R18-Y21 PolarHBondContact O-N 3.47Å; R18-G22 PolarHBondContact O-N 2.72Å; R18-V68 HydrophobicContact CG-CG1 3.87Å; R18-V68 HydrophobicContact CG-CG2 4.29Å; R18-L396 HydrophobicContact CG-CD2 3.99Å; R18-L396 PolarHBondContact NH1-O 3.12Å; R18-L396 PolarHBondContact NH2-O 3.5Å
19R92.8Very high89.2Confident121 Ų12165.2 Ų65.246%0.45734%0.338SS..Hα-helixtrans-60.1-50.4177.7-178.8-178.857.876.4-1.1110.7S15 D16 Y21 G22 E23S15-R19 WeakPolarHBondContact O-CB 3.34Å; S15-R19 PolarHBondContact O-N 3.34Å; D16-R19 PolarHBondContact O-N 2.9Å; D16-R19 IonicContact OD1-NE 2.81Å; D16-R19 IonicContact OD1-NH2 2.82Å; R19-Y21 VanDerWaalsContact C-N 3.31Å; R19-Y21 PolarHBondContact O-N 3.41Å; R19-G22 PolarHBondContact O-N 2.9Å; R19-G22 VanDerWaalsContact O-N 3.17Å; R19-E23 WeakPolarHBondContact CG-OE1 3.48Å; R19-E23 IonicContact CZ-OE1 3.53Å; R19-E23 IonicContact NH1-OE1 2.94Å; R19-E23 PolarHBondContact NH1-OE1 3.4Å; R19-E23 IonicContact NH1-OE2 3.27Å; R19-E23 PolarHBondContact NH1-OE2 3.36Å; R19-E23 WeakPolarHBondContact O-CG 3.39Å; R19-E23 PolarHBondContact O-N 3.47Å
20R93.5Very high89.7Confident84 Ų8463 Ų6332%0.31733%0.328SS..Hα-helixtrans-60.5-39.8176.4-72.1176.3-176.6-108.37.7112.1D16 E23 L24 V132D16-R20 WeakPolarHBondContact O-CB 3.26Å; D16-R20 WeakPolarHBondContact O-CG 3.46Å; D16-R20 PolarHBondContact O-N 3.38Å; R20-E23 PolarHBondContact O-N 3.3Å; R20-L24 WeakPolarHBondContact O-CB 3.37Å; R20-L24 WeakPolarHBondContact O-CD1 3.17Å; R20-L24 VanDerWaalsContact O-CG 3.26Å; R20-L24 WeakPolarHBondContact O-CG 3.47Å; R20-L24 PolarHBondContact O-N 3.11Å; R20-V132 HydrophobicContact CB-CG1 4.26Å
21Y93.8Very high90.1Very high1 Ų169 Ų690%0.00436%0.356CS..Hα-helixtrans-61.2-45.7175.4-173.8-81.6000111.2A17 R18 R19 E23 L24 F25 E28 P30 R130 V132A17-Y21 VanDerWaalsContact O-CB 3.27Å; A17-Y21 WeakPolarHBondContact O-CB 3.3Å; A17-Y21 PolarHBondContact O-N 3.43Å; R18-Y21 PolarHBondContact O-N 3.47Å; R19-Y21 VanDerWaalsContact C-N 3.31Å; R19-Y21 PolarHBondContact O-N 3.41Å; Y21-E23 VanDerWaalsContact C-N 3.35Å; Y21-E23 PolarHBondContact O-N 2.93Å; Y21-L24 PolarHBondContact O-N 2.64Å; Y21-F25 HydrophobicContact CD1-CB 4.37Å; Y21-F25 HydrophobicContact CD1-CD2 4.29Å; Y21-F25 AromaticContact CD2-CD2 3.54Å; Y21-F25 HydrophobicContact CD2-CD2 3.54Å; Y21-F25 AromaticContact CD2-CE2 4Å; Y21-F25 HydrophobicContact CD2-CE2 4Å; Y21-F25 HydrophobicContact CE1-CB 4.08Å; Y21-F25 HydrophobicContact CE1-CD2 4.34Å; Y21-F25 AromaticContact CE2-CD2 3.52Å; Y21-F25 HydrophobicContact CE2-CD2 3.52Å; Y21-F25 HydrophobicContact CE2-CE2 4.07Å; Y21-F25 HydrophobicContact CE2-CG 4.36Å; Y21-F25 AromaticContact CG-CD2 3.91Å; Y21-F25 HydrophobicContact CG-CD2 3.91Å; Y21-F25 AromaticContact CZ-CD2 3.97Å; Y21-F25 WeakPolarHBondContact O-CA 3.37Å; Y21-F25 WeakPolarHBondContact O-CB 3.15Å; Y21-F25 PolarHBondContact O-N 3.4Å; Y21-E28 WeakPolarHBondContact CE1-O 2.83Å; Y21-P30 HydrophobicContact CD1-CB 3.84Å; Y21-P30 HydrophobicContact CD1-CG 3.91Å; Y21-P30 HydrophobicContact CE1-CB 3.79Å; Y21-P30 HydrophobicContact CE1-CG 4.18Å; Y21-P30 HydrophobicContact CG-CB 4.28Å; Y21-R130 HydrophobicContact CE2-CB 3.93Å; Y21-R130 WeakPolarHBondContact CE2-O 3.41Å; Y21-V132 HydrophobicContact CD2-CG2 3.94Å; Y21-V132 HydrophobicContact CG-CG2 4.38Å
22G92.5Very high90.5Very high36 Ų3662.5 Ų62.537%0.37133%0.332SS..Hα-helixtrans-64.4-34.9176.500000113.8R18 R19 A26R18-G22 PolarHBondContact O-N 2.72Å; R19-G22 PolarHBondContact O-N 2.9Å; R19-G22 VanDerWaalsContact O-N 3.17Å; G22-A26 VanDerWaalsContact O-CA 3.26Å; G22-A26 WeakPolarHBondContact O-CA 3.31Å; G22-A26 WeakPolarHBondContact O-CB 3.29Å; G22-A26 PolarHBondContact O-N 2.75Å
23E92.6Very high90.9Very high125 Ų12559.7 Ų59.758%0.58432%0.315SS*.Hα-helixtrans-67.2-37.1174.6-72165.8-17400112.2R19 R20 Y21R19-E23 WeakPolarHBondContact CG-OE1 3.48Å; R19-E23 IonicContact CZ-OE1 3.53Å; R19-E23 IonicContact NH1-OE1 2.94Å; R19-E23 PolarHBondContact NH1-OE1 3.4Å; R19-E23 IonicContact NH1-OE2 3.27Å; R19-E23 PolarHBondContact NH1-OE2 3.36Å; R19-E23 WeakPolarHBondContact O-CG 3.39Å; R19-E23 PolarHBondContact O-N 3.47Å; R20-E23 PolarHBondContact O-N 3.3Å; Y21-E23 VanDerWaalsContact C-N 3.35Å; Y21-E23 PolarHBondContact O-N 2.93Å
24L92Very high91.2Very high82 Ų8259.2 Ų59.243%0.42931%0.312SS..Hα-helixtrans-90.4-29.2-175.1-67.5168.3000113.8R20 Y21 V80 V132R20-L24 WeakPolarHBondContact O-CB 3.37Å; R20-L24 WeakPolarHBondContact O-CD1 3.17Å; R20-L24 VanDerWaalsContact O-CG 3.26Å; R20-L24 WeakPolarHBondContact O-CG 3.47Å; R20-L24 PolarHBondContact O-N 3.11Å; Y21-L24 PolarHBondContact O-N 2.64Å; L24-V80 HydrophobicContact CD1-CB 4.2Å; L24-V80 HydrophobicContact CD1-CG1 3.87Å; L24-V80 HydrophobicContact CD1-CG2 4.11Å; L24-V132 HydrophobicContact CD1-CG2 4.44Å
25F90.6Very high91.3Very high9 Ų959 Ų594%0.03931%0.311CS..  trans-13543.7-170.2-48.3-62.2000111.5Y21 E27 E28 T78 V80 R130 V132Y21-F25 HydrophobicContact CD1-CB 4.37Å; Y21-F25 HydrophobicContact CD1-CD2 4.29Å; Y21-F25 AromaticContact CD2-CD2 3.54Å; Y21-F25 HydrophobicContact CD2-CD2 3.54Å; Y21-F25 AromaticContact CD2-CE2 4Å; Y21-F25 HydrophobicContact CD2-CE2 4Å; Y21-F25 HydrophobicContact CE1-CB 4.08Å; Y21-F25 HydrophobicContact CE1-CD2 4.34Å; Y21-F25 AromaticContact CE2-CD2 3.52Å; Y21-F25 HydrophobicContact CE2-CD2 3.52Å; Y21-F25 HydrophobicContact CE2-CE2 4.07Å; Y21-F25 HydrophobicContact CE2-CG 4.36Å; Y21-F25 AromaticContact CG-CD2 3.91Å; Y21-F25 HydrophobicContact CG-CD2 3.91Å; Y21-F25 AromaticContact CZ-CD2 3.97Å; Y21-F25 WeakPolarHBondContact O-CA 3.37Å; Y21-F25 WeakPolarHBondContact O-CB 3.15Å; Y21-F25 PolarHBondContact O-N 3.4Å; F25-E27 PolarHBondContact O-N 3.42Å; F25-E28 PolarHBondContact O-N 2.96Å; F25-E28 VanDerWaalsContact O-N 3.12Å; F25-E28 VanDerWaalsContact O-O 3.11Å; F25-T78 HydrophobicContact CE1-CG2 3.96Å; F25-T78 HydrophobicContact CZ-CG2 3.73Å; F25-V80 HydrophobicContact CZ-CG2 4.2Å; F25-R130 HydrophobicContact CD1-CB 4.32Å; F25-R130 VanDerWaalsContact CD1-CD 3.45Å; F25-R130 HydrophobicContact CD1-CG 4.04Å; F25-R130 HydrophobicContact CD2-CB 4.13Å; F25-R130 HydrophobicContact CE1-CB 4.24Å; F25-R130 HydrophobicContact CE1-CG 3.93Å; F25-R130 HydrophobicContact CE2-CB 4.06Å; F25-R130 HydrophobicContact CG-CB 4.25Å; F25-R130 HydrophobicContact CG-CG 4.42Å; F25-R130 HydrophobicContact CZ-CB 4.11Å; F25-R130 HydrophobicContact CZ-CG 4.24Å; F25-V132 HydrophobicContact CE2-CG2 4.18Å
26A82.3Confident91.3Very high88 Ų8855.6 Ų55.673%0.72729%0.288SS*.THydrogen-bonded Turntrans-52.5-23.2-172.600000115.7G22G22-A26 VanDerWaalsContact O-CA 3.26Å; G22-A26 WeakPolarHBondContact O-CA 3.31Å; G22-A26 WeakPolarHBondContact O-CB 3.29Å; G22-A26 PolarHBondContact O-N 2.75Å
27E81.3Confident91.2Very high176 Ų17652.6 Ų52.682%0.82227%0.272SS*.THydrogen-bonded Turntrans-76.1-26.7-177.1-60.7179.3171.300113.8F25F25-E27 PolarHBondContact O-N 3.42Å
28E85.3Confident90.9Very high34 Ų3452.6 Ų52.616%0.15927%0.272CS..SBendtrans-130.7112.2-174.6-69.5175.1148.300108.5Y21 F25 T72 S73 R130Y21-E28 WeakPolarHBondContact CE1-O 2.83Å; F25-E28 PolarHBondContact O-N 2.96Å; F25-E28 VanDerWaalsContact O-N 3.12Å; F25-E28 VanDerWaalsContact O-O 3.11Å; E28-T72 PolarHBondContact OE1-OG1 3Å; E28-T72 WeakPolarHBondContact OE2-CA 3.23Å; E28-T72 WeakPolarHBondContact OE2-CB 3.45Å; E28-T72 PolarHBondContact OE2-OG1 2.8Å; E28-S73 PolarHBondContact OE1-N 3.15Å; E28-S73 PolarHBondContact OE1-OG 2.83Å; E28-R130 IonicContact OE2-CZ 3.72Å; E28-R130 IonicContact OE2-NH1 2.77Å; E28-R130 PolarHBondContact OE2-NH1 3.08Å
29P88.3Confident90.6Very high96 Ų9649 Ų4962%0.62326%0.258SS*.  trans-69152.1179.428.4-34.3000111.6
30P91.7Very high90.4Very high30 Ų3043.2 Ų43.220%0.19524%0.236CC..  trans-65.3141.6176.728.7-32.1000109.8Y21 V68 L396Y21-P30 HydrophobicContact CD1-CB 3.84Å; Y21-P30 HydrophobicContact CD1-CG 3.91Å; Y21-P30 HydrophobicContact CE1-CB 3.79Å; Y21-P30 HydrophobicContact CE1-CG 4.18Å; Y21-P30 HydrophobicContact CG-CB 4.28Å; P30-V68 HydrophobicContact CB-CG1 3.51Å; P30-V68 HydrophobicContact CG-CG1 3.97Å; P30-L396 HydrophobicContact CB-CD1 4.29Å; P30-L396 VanDerWaalsContact O-CD1 3.3Å; P30-L396 WeakPolarHBondContact O-CD1 3.33Å
31Q93.2Very high90.4Very high128 Ų12839.3 Ų39.360%0.59822%0.221SC*.  trans-113.1-19.1-177.4-62.7-178.218.300112.7G69 L396Q31-G69 PolarHBondContact N-O 3.02Å; Q31-L396 VanDerWaalsContact C-CD1 3.42Å
32A95.4Very high90.4Very high4 Ų439.4 Ų39.43%0.03322%0.222CC..EExtended strand (participates in β ladder)trans-135.9144.3-178.900000111.2G69 F156 Q159 L160A32-G69 PolarHBondContact N-O 3.25Å; A32-G69 PolarHBondContact O-N 2.96Å; A32-G69 VanDerWaalsContact O-O 3.13Å; A32-F156 HydrophobicContact CB-CD2 3.87Å; A32-F156 HydrophobicContact CB-CE2 3.79Å; A32-Q159 HydrophobicContact CB-CB 3.75Å; A32-Q159 HydrophobicContact CB-CG 4.45Å; A32-L160 HydrophobicContact CB-CD2 4.35Å
33A96.1Very high90.6Very high0 Ų037.7 Ų37.70%021%0.205CC..EExtended strand (participates in β ladder)trans-136.9139.8168.100000110.2L14 V67 V68 Q159 T393 L394 L396L14-A33 HydrophobicContact CD1-CB 3.7Å; A33-V67 CarbonylContact C-O 3.24Å; A33-V67 VanDerWaalsContact CA-O 3.24Å; A33-V67 WeakPolarHBondContact CA-O 3.27Å; A33-V68 HydrophobicContact CB-CG2 4.19Å; A33-Q159 PolarHBondContact O-NE2 3.02Å; A33-T393 WeakPolarHBondContact O-CA 3.38Å; A33-L394 HydrophobicContact CB-CB 3.89Å; A33-L394 PolarHBondContact O-N 2.94Å; A33-L396 HydrophobicContact CB-CD2 3.7Å; A33-L396 HydrophobicContact CB-CG 4.07Å
34A95.3Very high90.7Very high0 Ų031.8 Ų31.80%018%0.177CC..EExtended strand (participates in β ladder)trans-137.1153.3176.500000109.9V66 V67 T155 F156 R392A34-V66 CarbonylContact O-C 3.55Å; A34-V66 WeakPolarHBondContact O-CA 3.45Å; A34-V67 PolarHBondContact N-O 2.87Å; A34-V67 PolarHBondContact O-N 3.4Å; A34-T155 HydrophobicContact CB-CG2 3.9Å; A34-F156 HydrophobicContact CB-CB 4.04Å; A34-R392 WeakPolarHBondContact CA-O 3.2Å
35C92.9Very high90.7Very high0 Ų028.1 Ų28.10%016%0.157CC..EExtended strand (participates in β ladder)trans-133149.8167.471.70000111.9V10 T65 V66 S391 R392 L394V10-C35 HydrophobicContact CG2-CB 4.24Å; C35-T65 CarbonylContact C-O 3.43Å; C35-T65 WeakPolarHBondContact CA-O 3.43Å; C35-T65 WeakPolarHBondContact CB-O 3.47Å; C35-V66 HydrophobicContact CB-CG2 4.03Å; C35-S391 VanDerWaalsContact O-CA 3.31Å; C35-S391 WeakPolarHBondContact O-CA 3.35Å; C35-R392 PolarHBondContact N-O 3.17Å; C35-R392 PolarHBondContact O-N 3.44Å; C35-L394 HydrophobicContact CB-CD1 3.87Å; C35-L394 HydrophobicContact CB-CG 4.26Å
36A91.1Very high90.8Very high0 Ų028.1 Ų28.10%016%0.158CC..EExtended strand (participates in β ladder)trans-139.9148.4166.600000110.2V64 T65 S148 V151 A152A36-V64 CarbonylContact O-C 3.55Å; A36-V64 WeakPolarHBondContact O-CA 3.43Å; A36-T65 PolarHBondContact N-O 3.39Å; A36-T65 PolarHBondContact O-N 3.08Å; A36-S148 WeakPolarHBondContact CB-O 3.4Å; A36-V151 HydrophobicContact CB-CB 3.88Å; A36-V151 HydrophobicContact CB-CG1 3.76Å; A36-A152 HydrophobicContact CB-CB 3.72Å; A36-A152 VanDerWaalsContact CB-N 3.29Å
37P87.8Confident91.4Very high1 Ų124 Ų241%0.00612%0.123CC..EExtended strand (participates in β ladder)trans-89166.5-171.541.7-45.2000114.6K58 F63 V64 S148 S194P37-K58 HydrophobicContact CB-CD 3.74Å; P37-K58 HydrophobicContact CB-CG 3.62Å; P37-K58 HydrophobicContact CG-CD 3.41Å; P37-K58 VanDerWaalsContact CG-CD 3.41Å; P37-K58 HydrophobicContact CG-CG 3.55Å; P37-F63 WeakPolarHBondContact CA-O 3.29Å; P37-V64 HydrophobicContact CB-CG1 4.3Å; P37-S148 VanDerWaalsContact C-CB 3.45Å; P37-S148 WeakPolarHBondContact O-CA 3.42Å; P37-S148 WeakPolarHBondContact O-CB 3.34Å; P37-S194 WeakPolarHBondContact CD-OG 3.29Å
38G86.4Confident91.8Very high0 Ų016.4 Ų16.40%09%0.089CC..  trans-75.1179.7152.500000112.8Q59 F63 L143G38-Q59 PolarHBondContact O-N 2.88Å; G38-F63 PolarHBondContact N-O 3.16Å; G38-L143 CarbonylContact C-O 3.58Å; G38-L143 WeakPolarHBondContact CA-O 3.38Å
39R87.6Confident91.8Very high14 Ų1416.4 Ų16.45%0.0539%0.087CC..EExtended strand (participates in β ladder)trans-146.3157.4-179.768.994-172.888.81112G142 L143 S144 D190 V193R39-G142 PolarHBondContact NH1-O 2.82Å; R39-L143 PolarHBondContact N-O 3.43Å; R39-L143 WeakPolarHBondContact O-CA 3.35Å; R39-S144 VanDerWaalsContact CG-OG 3.23Å; R39-S144 WeakPolarHBondContact CG-OG 3.49Å; R39-S144 PolarHBondContact NE-OG 2.79Å; R39-S144 PolarHBondContact NH1-OG 3.02Å; R39-S144 PolarHBondContact NH2-OG 3.15Å; R39-D190 IonicContact CZ-OD1 3.04Å; R39-D190 IonicContact CZ-OD2 3.19Å; R39-D190 IonicContact NE-OD1 2.67Å; R39-D190 PolarHBondContact NE-OD1 2.96Å; R39-D190 IonicContact NE-OD2 3.76Å; R39-D190 IonicContact NH2-OD1 3.82Å; R39-D190 PolarHBondContact NH2-OD1 3.4Å; R39-D190 IonicContact NH2-OD2 3.83Å; R39-D190 PolarHBondContact NH2-OD2 3.28Å; R39-V193 HydrophobicContact CB-CG1 3.44Å; R39-V193 VanDerWaalsContact CB-CG1 3.44Å; R39-V193 HydrophobicContact CG-CG1 3.65Å
40V88.8Confident92.1Very high0 Ų012.2 Ų12.20%06%0.06CC..EExtended strand (participates in β ladder)trans-124.6135.4168.963.80000108.9L42 M57 Q59 I226 T348 V357V40-L42 HydrophobicContact CG1-CD2 4.49Å; V40-M57 HydrophobicContact CG1-CE 3.3Å; V40-M57 HydrophobicContact CG1-CG 3.55Å; V40-M57 HydrophobicContact CG1-SD 4.32Å; V40-M57 PolarHBondContact N-O 3.22Å; V40-M57 PolarHBondContact O-N 3.27Å; V40-Q59 HydrophobicContact CB-CG 4.13Å; V40-Q59 HydrophobicContact CG1-CG 4.14Å; V40-I226 HydrophobicContact CB-CD1 3.75Å; V40-I226 HydrophobicContact CG1-CD1 3.91Å; V40-I226 HydrophobicContact CG2-CD1 3.88Å; V40-I226 HydrophobicContact CG2-CG1 4.29Å; V40-T348 HydrophobicContact CG2-CG2 3.83Å; V40-V357 HydrophobicContact CG2-CB 3.85Å; V40-V357 HydrophobicContact CG2-CG1 4.49Å; V40-V357 HydrophobicContact CG2-CG2 3.78Å
41N92.3Very high92.2Very high1 Ų114.1 Ų14.11%0.0057%0.066CC..EExtended strand (participates in β ladder)trans-88.6123.3174.3-166.645.3000109.6I43 E45 L55 P56 M189 R346 T348N41-I43 VanDerWaalsContact ND2-C 3.34Å; N41-I43 PolarHBondContact ND2-O 2.94Å; N41-I43 VanDerWaalsContact ND2-O 3.08Å; N41-I43 PolarHBondContact OD1-O 2.94Å; N41-E45 WeakPolarHBondContact CB-OE1 3.5Å; N41-E45 PolarHBondContact ND2-OE1 3.01Å; N41-E45 PolarHBondContact ND2-OE2 3.11Å; N41-L55 VanDerWaalsContact OD1-C 3.28Å; N41-L55 PolarHBondContact OD1-O 2.82Å; N41-P56 WeakPolarHBondContact OD1-CA 3.36Å; N41-P56 WeakPolarHBondContact OD1-CD 3.39Å; N41-P56 VanDerWaalsContact OD1-N 3.09Å; N41-M189 HydrophobicContact CB-CE 4.33Å; N41-M189 HydrophobicContact CB-SD 4.05Å; N41-M189 VanDerWaalsContact CG-SD 3.57Å; N41-M189 PolarHBondContact OD1-SD 3.03Å; N41-M189 VanDerWaalsContact OD1-SD 3.41Å; N41-R346 PolarHBondContact O-NH1 3.41Å; N41-T348 PolarHBondContact N-OG1 2.92Å; N41-T348 PolarHBondContact O-OG1 2.93Å
42L94.2Very high92.3Very high4 Ų48 Ų82%0.0214%0.038CC..SBendtrans-76.2-41.7-178.9-58178.9000110.5V40 L55 M57 A202 L217 I224 L299 F307 R346 V357V40-L42 HydrophobicContact CG1-CD2 4.49Å; L42-L55 VanDerWaalsContact CB-O 3.27Å; L42-L55 WeakPolarHBondContact CB-O 3.48Å; L42-L55 PolarHBondContact N-O 3.44Å; L42-L55 VanDerWaalsContact N-O 3.09Å; L42-M57 HydrophobicContact CD1-CB 4.28Å; L42-M57 HydrophobicContact CD1-CG 4.2Å; L42-M57 HydrophobicContact CD1-SD 4.33Å; L42-M57 HydrophobicContact CD2-CE 4.09Å; L42-M57 HydrophobicContact CD2-CG 3.85Å; L42-M57 HydrophobicContact CD2-SD 3.94Å; L42-M57 HydrophobicContact CG-CB 4.42Å; L42-M57 HydrophobicContact CG-CG 4.01Å; L42-M57 HydrophobicContact CG-SD 4.48Å; L42-A202 HydrophobicContact CD1-CB 3.99Å; L42-L217 HydrophobicContact CD1-CD2 3.92Å; L42-I224 HydrophobicContact CD2-CD1 3.98Å; L42-L299 HydrophobicContact CD1-CD2 4.46Å; L42-F307 HydrophobicContact CB-CZ 3.97Å; L42-F307 HydrophobicContact CD1-CZ 4.15Å; L42-R346 VanDerWaalsContact O-CD 3.3Å; L42-R346 WeakPolarHBondContact O-CD 3.37Å; L42-R346 PolarHBondContact O-NH1 3.46Å; L42-V357 HydrophobicContact CD2-CG2 4.12Å
43I96.7Very high92.3Very high0 Ų09.6 Ų9.60%04%0.043CC..SBendtrans-164.7161.1177.5-166.5165.8000109.7N41 E45 L55 E288 R291 T292 A295 L310N41-I43 VanDerWaalsContact ND2-C 3.34Å; N41-I43 PolarHBondContact ND2-O 2.94Å; N41-I43 VanDerWaalsContact ND2-O 3.08Å; N41-I43 PolarHBondContact OD1-O 2.94Å; I43-E45 VanDerWaalsContact C-OE2 3.31Å; I43-E45 WeakPolarHBondContact CA-OE2 3.33Å; I43-L55 HydrophobicContact CG2-CB 3.88Å; I43-L55 HydrophobicContact CG2-CD2 4.04Å; I43-L55 PolarHBondContact O-N 3.41Å; I43-E288 WeakPolarHBondContact CG1-OE1 3.46Å; I43-R291 HydrophobicContact CD1-CB 4.24Å; I43-T292 HydrophobicContact CG2-CG2 4.27Å; I43-A295 HydrophobicContact CD1-CB 4.07Å; I43-A295 HydrophobicContact CG2-CB 3.7Å; I43-L310 HydrophobicContact CD1-CB 4.07Å; I43-L310 WeakPolarHBondContact CD1-O 3.28Å
44G95.3Very high92.3Very high0 Ų09.6 Ų9.60%04%0.043CC..  trans103.235.5-178.200000113.9T47 V54 E288 T292G44-T47 PolarHBondContact O-OG1 2.73Å; G44-V54 WeakPolarHBondContact O-CG1 3.27Å; G44-E288 PolarHBondContact N-OE1 3.23Å; G44-E288 VanDerWaalsContact N-OE1 3.15Å; G44-T292 WeakPolarHBondContact CA-OG1 3.44Å; G44-T292 PolarHBondContact N-OG1 3.26Å
45E92.6Very high92.3Very high5 Ų59.6 Ų9.62%0.0234%0.043CC..THydrogen-bonded Turntrans-72.4141.2-175.7-86.163-168.700111.3N41 I43 T47 H284 L318 R346N41-E45 WeakPolarHBondContact CB-OE1 3.5Å; N41-E45 PolarHBondContact ND2-OE1 3.01Å; N41-E45 PolarHBondContact ND2-OE2 3.11Å; I43-E45 VanDerWaalsContact C-OE2 3.31Å; I43-E45 WeakPolarHBondContact CA-OE2 3.33Å; E45-T47 PolarHBondContact O-N 3.14Å; E45-T47 VanDerWaalsContact O-N 3.07Å; E45-H284 PolarHBondContact O-NE2 2.89Å; E45-L318 HydrophobicContact CB-CD1 3.88Å; E45-L318 HydrophobicContact CB-CD2 3.8Å; E45-L318 HydrophobicContact CB-CG 4.42Å; E45-L318 HydrophobicContact CG-CD1 4.08Å; E45-R346 IonicContact OE1-CZ 3.72Å; E45-R346 VanDerWaalsContact OE1-CZ 3.27Å; E45-R346 IonicContact OE1-NH1 3.91Å; E45-R346 PolarHBondContact OE1-NH1 3.32Å; E45-R346 IonicContact OE1-NH2 3.95Å; E45-R346 PolarHBondContact OE1-NH2 3.29Å; E45-R346 IonicContact OE2-CZ 3.39Å; E45-R346 IonicContact OE2-NE 3.15Å; E45-R346 IonicContact OE2-NH1 3.27Å; E45-R346 PolarHBondContact OE2-NH1 3.14Å; E45-R346 IonicContact OE2-NH2 3.39Å; E45-R346 PolarHBondContact OE2-NH2 3.25Å
46H92.2Very high92.2Very high10 Ų109.6 Ų9.65%0.0464%0.043CC..THydrogen-bonded Turntrans58.819.9177.3-63.2-78.2000114.7Y49 N50 Y322H46-Y49 HydrophobicContact CB-CE1 4.27Å; H46-Y49 VanDerWaalsContact CB-OH 3.31Å; H46-Y49 WeakPolarHBondContact CB-OH 3.37Å; H46-Y49 AromaticContact ND1-CE1 3.77Å; H46-Y49 AromaticContact ND1-CZ 3.74Å; H46-Y49 PolarHBondContact ND1-OH 3.26Å; H46-N50 PolarHBondContact O-ND2 2.99Å; H46-Y322 HydrophobicContact CB-CD1 4.08Å; H46-Y322 HydrophobicContact CB-CE1 3.43Å; H46-Y322 VanDerWaalsContact CB-CE1 3.43Å; H46-Y322 AromaticContact CD2-CD1 3.61Å; H46-Y322 AromaticContact CD2-CE1 3.57Å; H46-Y322 AromaticContact CE1-CE1 3.95Å; H46-Y322 AromaticContact CG-CD1 3.76Å; H46-Y322 AromaticContact CG-CE1 3.22Å; H46-Y322 AromaticContact CG-CZ 3.98Å; H46-Y322 AromaticContact ND1-CE1 3.5Å; H46-Y322 WeakPolarHBondContact ND1-CE1 3.26Å
47T94.3Very high91.7Very high0 Ų09.6 Ų9.60%04%0.044CC..  trans-99.7-19.2173.966.10000112.5G44 E45 N50 Q51 G52 F53 V54 E288 I289G44-T47 PolarHBondContact O-OG1 2.73Å; E45-T47 PolarHBondContact O-N 3.14Å; E45-T47 VanDerWaalsContact O-N 3.07Å; T47-N50 CarbonylContact O-C 3.56Å; T47-N50 VanDerWaalsContact O-C 3.25Å; T47-N50 WeakPolarHBondContact O-CA 3.45Å; T47-N50 WeakPolarHBondContact O-CB 3.26Å; T47-N50 PolarHBondContact O-N 3.33Å; T47-Q51 PolarHBondContact O-N 2.91Å; T47-G52 WeakPolarHBondContact O-CA 3.45Å; T47-G52 PolarHBondContact O-N 3.38Å; T47-F53 PolarHBondContact OG1-O 3.39Å; T47-V54 WeakPolarHBondContact OG1-CG1 3.48Å; T47-E288 HydrophobicContact CG2-CB 3.77Å; T47-E288 HydrophobicContact CG2-CG 3.67Å; T47-I289 HydrophobicContact CG2-CG1 3.83Å
48D89.9Confident90.9Very high18 Ų189.6 Ų9.610%0.0964%0.044CC..G310 helixtrans-62.3-51.4-173.760.3-24.9000113.2N50 Q51 V54 G187 C207D48-N50 PolarHBondContact O-N 2.97Å; D48-Q51 PolarHBondContact O-N 3.1Å; D48-V54 HydrophobicContact CB-CG1 3.88Å; D48-G187 WeakPolarHBondContact OD2-CA 3.26Å; D48-G187 PolarHBondContact OD2-N 3.29Å; D48-C207 WeakPolarHBondContact O-CB 3.34Å
49Y86.6Confident89.5Confident33 Ų339.6 Ų9.613%0.1294%0.044CC..G310 helixtrans-74-6.2173.455-99.2000113.5H46 Y240 R244 Y322H46-Y49 HydrophobicContact CB-CE1 4.27Å; H46-Y49 VanDerWaalsContact CB-OH 3.31Å; H46-Y49 WeakPolarHBondContact CB-OH 3.37Å; H46-Y49 AromaticContact ND1-CE1 3.77Å; H46-Y49 AromaticContact ND1-CZ 3.74Å; H46-Y49 PolarHBondContact ND1-OH 3.26Å; Y49-Y240 HydrophobicContact CD1-CE1 4.44Å; Y49-Y240 AromaticContact CD1-CZ 3.83Å; Y49-Y240 WeakPolarHBondContact CD1-OH 3.23Å; Y49-Y240 HydrophobicContact CE1-CE1 4.33Å; Y49-Y240 AromaticContact CE1-CE2 3.92Å; Y49-Y240 HydrophobicContact CE1-CE2 3.92Å; Y49-Y240 AromaticContact CE1-CZ 3.61Å; Y49-Y240 WeakPolarHBondContact CE1-OH 3.35Å; Y49-R244 HydrophobicContact CD2-CB 4.34Å; Y49-R244 HydrophobicContact CD2-CG 4.11Å; Y49-R244 HydrophobicContact CE2-CB 4.2Å; Y49-R244 HydrophobicContact CE2-CG 4.44Å; Y49-Y322 PolarHBondContact OH-OH 2.56Å
50N93.2Very high88Confident8 Ų89.1 Ų9.14%0.0434%0.043CC..G310 helixtrans-98.921.7170.9-73.4-60.4000112H46 T47 D48 G52 C247 S258 V285H46-N50 PolarHBondContact O-ND2 2.99Å; T47-N50 CarbonylContact O-C 3.56Å; T47-N50 VanDerWaalsContact O-C 3.25Å; T47-N50 WeakPolarHBondContact O-CA 3.45Å; T47-N50 WeakPolarHBondContact O-CB 3.26Å; T47-N50 PolarHBondContact O-N 3.33Å; D48-N50 PolarHBondContact O-N 2.97Å; N50-G52 PolarHBondContact O-N 3.11Å; N50-C247 WeakPolarHBondContact OD1-CB 3.48Å; N50-S258 VanDerWaalsContact C-OG 3.28Å; N50-S258 PolarHBondContact O-OG 3.29Å; N50-V285 HydrophobicContact CB-CG1 3.66Å
51Q93.4Very high86.2Confident71 Ų7112.7 Ų12.733%0.3326%0.061SC..THydrogen-bonded Turntrans54.127.8179.3-53-17728.900113T47 D48 R208 R260T47-Q51 PolarHBondContact O-N 2.91Å; D48-Q51 PolarHBondContact O-N 3.1Å; Q51-R208 HydrophobicContact CB-CB 4Å; Q51-R208 HydrophobicContact CB-CG 4.44Å; Q51-R260 HydrophobicContact CB-CB 4.25Å; Q51-R260 WeakPolarHBondContact O-CD 3.1Å; Q51-R260 WeakPolarHBondContact O-CG 3.42Å; Q51-R260 PolarHBondContact O-NH1 2.89Å
52G95.2Very high84.7Confident0 Ų013.9 Ų13.90%07%0.069CC..  trans-86.4-160.6-176.700000113.4T47 N50 C207T47-G52 WeakPolarHBondContact O-CA 3.45Å; T47-G52 PolarHBondContact O-N 3.38Å; N50-G52 PolarHBondContact O-N 3.11Å; G52-C207 WeakPolarHBondContact O-CB 3.32Å; G52-C207 PolarHBondContact O-N 2.99Å
53F96.7Very high83.9Confident36 Ų3613.8 Ų13.816%0.1587%0.069CC..EExtended strand (participates in β ladder)trans-106.1142.2172.4-65-76.1000110.7T47 L204 I205 D206 I289 T292 V293T47-F53 PolarHBondContact OG1-O 3.39Å; F53-L204 HydrophobicContact CB-CD1 4.11Å; F53-L204 HydrophobicContact CD1-CD1 4.24Å; F53-L204 HydrophobicContact CG-CD1 4.48Å; F53-I205 WeakPolarHBondContact CA-O 3.49Å; F53-D206 HydrophobicContact CD1-CB 3.92Å; F53-D206 HydrophobicContact CE1-CB 3.64Å; F53-D206 VanDerWaalsContact CE1-OD2 3.25Å; F53-D206 WeakPolarHBondContact CE1-OD2 3.26Å; F53-I289 HydrophobicContact CD2-CG2 3.84Å; F53-I289 HydrophobicContact CE2-CG2 4.35Å; F53-T292 HydrophobicContact CB-CG2 3.75Å; F53-V293 HydrophobicContact CB-CG2 4.48Å; F53-V293 HydrophobicContact CD2-CG2 3.31Å; F53-V293 HydrophobicContact CE2-CG2 3.43Å; F53-V293 VanDerWaalsContact CE2-CG2 3.43Å; F53-V293 HydrophobicContact CG-CG2 3.9Å; F53-V293 HydrophobicContact CZ-CG2 4.1Å
54V95.6Very high83.4Confident0 Ų013.9 Ų13.90%07%0.069CC..EExtended strand (participates in β ladder)trans-125.9146.6169.4-600000109.7G44 T47 D48 P56 M189 L204 I205G44-V54 WeakPolarHBondContact O-CG1 3.27Å; T47-V54 WeakPolarHBondContact OG1-CG1 3.48Å; D48-V54 HydrophobicContact CB-CG1 3.88Å; V54-P56 HydrophobicContact CG2-CG 4.34Å; V54-P56 WeakPolarHBondContact O-CD 3.5Å; V54-M189 HydrophobicContact CB-CG 4.31Å; V54-M189 HydrophobicContact CB-SD 3.68Å; V54-M189 HydrophobicContact CG1-SD 3.87Å; V54-M189 HydrophobicContact CG2-CB 4.11Å; V54-M189 HydrophobicContact CG2-CG 3.82Å; V54-M189 HydrophobicContact CG2-SD 3.89Å; V54-L204 WeakPolarHBondContact O-CA 3.41Å; V54-I205 HydrophobicContact CG2-CB 3.71Å; V54-I205 HydrophobicContact CG2-CD1 4.03Å; V54-I205 HydrophobicContact CG2-CG1 4.27Å; V54-I205 HydrophobicContact CG2-CG2 4.49Å; V54-I205 PolarHBondContact N-O 3.09Å; V54-I205 VanDerWaalsContact N-O 3.1Å; V54-I205 PolarHBondContact O-N 2.61Å
55L94.9Very high83.2Confident0 Ų014 Ų140%07%0.07CC..  trans-12266.3175.7-171.366.9000110.6N41 L42 I43 A202 L204 V215 T292 A295 A296 L299 F307N41-L55 VanDerWaalsContact OD1-C 3.28Å; N41-L55 PolarHBondContact OD1-O 2.82Å; L42-L55 VanDerWaalsContact CB-O 3.27Å; L42-L55 WeakPolarHBondContact CB-O 3.48Å; L42-L55 PolarHBondContact N-O 3.44Å; L42-L55 VanDerWaalsContact N-O 3.09Å; I43-L55 HydrophobicContact CG2-CB 3.88Å; I43-L55 HydrophobicContact CG2-CD2 4.04Å; I43-L55 PolarHBondContact O-N 3.41Å; L55-A202 HydrophobicContact CD1-CB 4.19Å; L55-A202 HydrophobicContact CG-CB 4.45Å; L55-L204 HydrophobicContact CD1-CB 3.8Å; L55-L204 HydrophobicContact CD1-CD1 4.32Å; L55-V215 HydrophobicContact CD1-CG2 4.09Å; L55-T292 HydrophobicContact CB-CG2 3.95Å; L55-A295 HydrophobicContact CD2-CB 4.46Å; L55-A296 HydrophobicContact CD1-CB 4.23Å; L55-A296 HydrophobicContact CD2-CB 4.19Å; L55-L299 HydrophobicContact CD2-CD2 4.5Å; L55-F307 HydrophobicContact CD2-CE2 3.87Å; L55-F307 HydrophobicContact CD2-CZ 4.32Å
56P90.8Very high83.3Confident0 Ų013.8 Ų13.80%07%0.069CC..EExtended strand (participates in β ladder)trans-72.7156.917333.1-40.6000111.4N41 V54 M189 V193 L203 I205N41-P56 WeakPolarHBondContact OD1-CA 3.36Å; N41-P56 WeakPolarHBondContact OD1-CD 3.39Å; N41-P56 VanDerWaalsContact OD1-N 3.09Å; V54-P56 HydrophobicContact CG2-CG 4.34Å; V54-P56 WeakPolarHBondContact O-CD 3.5Å; P56-M189 HydrophobicContact CB-CG 4.15Å; P56-M189 HydrophobicContact CB-SD 4.19Å; P56-M189 HydrophobicContact CG-CG 3.9Å; P56-M189 HydrophobicContact CG-SD 4.3Å; P56-V193 HydrophobicContact CB-CB 4.18Å; P56-V193 HydrophobicContact CB-CG1 4.32Å; P56-V193 HydrophobicContact CB-CG2 4.07Å; P56-V193 HydrophobicContact CG-CB 3.95Å; P56-V193 HydrophobicContact CG-CG1 4.5Å; P56-V193 HydrophobicContact CG-CG2 4.08Å; P56-L203 WeakPolarHBondContact CD-O 3.37Å; P56-L203 PolarHBondContact O-N 3.33Å; P56-I205 HydrophobicContact CG-CD1 3.78Å
57M81.6Confident83.6Confident1 Ų113.3 Ų13.31%0.0057%0.066CC..EExtended strand (participates in β ladder)trans-123.5152156.570.1167.4-166.400109.3V40 L42 A202 L217 I224 T385 P387V40-M57 HydrophobicContact CG1-CE 3.3Å; V40-M57 HydrophobicContact CG1-CG 3.55Å; V40-M57 HydrophobicContact CG1-SD 4.32Å; V40-M57 PolarHBondContact N-O 3.22Å; V40-M57 PolarHBondContact O-N 3.27Å; L42-M57 HydrophobicContact CD1-CB 4.28Å; L42-M57 HydrophobicContact CD1-CG 4.2Å; L42-M57 HydrophobicContact CD1-SD 4.33Å; L42-M57 HydrophobicContact CD2-CE 4.09Å; L42-M57 HydrophobicContact CD2-CG 3.85Å; L42-M57 HydrophobicContact CD2-SD 3.94Å; L42-M57 HydrophobicContact CG-CB 4.42Å; L42-M57 HydrophobicContact CG-CG 4.01Å; L42-M57 HydrophobicContact CG-SD 4.48Å; M57-A202 HydrophobicContact CB-CB 4.12Å; M57-L217 HydrophobicContact SD-CD2 3.65Å; M57-I224 HydrophobicContact CE-CB 3.7Å; M57-I224 HydrophobicContact CE-CD1 3.29Å; M57-I224 HydrophobicContact CE-CG1 4.06Å; M57-I224 HydrophobicContact CE-CG2 3.47Å; M57-I224 VanDerWaalsContact CE-CG2 3.47Å; M57-I224 HydrophobicContact SD-CD1 3.29Å; M57-I224 WeakPolarHBondContact SD-CD1 3.44Å; M57-T385 HydrophobicContact CE-CG2 3.62Å; M57-P387 HydrophobicContact SD-CG 4.08Å
58K70.6Confident83.7Confident1 Ų113.3 Ų13.30%0.0047%0.066CC..EExtended strand (participates in β ladder)trans-69.5137.1169.8177.4179.8159.9129.90108.8P37 A60 V193 A197 S388 E389 G390P37-K58 HydrophobicContact CB-CD 3.74Å; P37-K58 HydrophobicContact CB-CG 3.62Å; P37-K58 HydrophobicContact CG-CD 3.41Å; P37-K58 VanDerWaalsContact CG-CD 3.41Å; P37-K58 HydrophobicContact CG-CG 3.55Å; K58-A60 PolarHBondContact O-N 3.19Å; K58-V193 HydrophobicContact CB-CG2 4.32Å; K58-A197 HydrophobicContact CB-CB 3.44Å; K58-A197 VanDerWaalsContact CB-CB 3.44Å; K58-A197 HydrophobicContact CD-CB 3.71Å; K58-A197 HydrophobicContact CG-CB 4.17Å; K58-S388 WeakPolarHBondContact CD-O 3.35Å; K58-S388 WeakPolarHBondContact CE-OG 3.35Å; K58-E389 VanDerWaalsContact CE-C 3.49Å; K58-E389 WeakPolarHBondContact CE-O 3.37Å; K58-E389 VanDerWaalsContact NZ-C 3.32Å; K58-E389 PolarHBondContact NZ-O 3.24Å; K58-G390 PolarHBondContact NZ-O 3.44Å; K58-G390 VanDerWaalsContact NZ-O 3.15Å
59Q57.2Low84Confident0 Ų012.4 Ų12.40%06%0.062CC..PPolyproline II helixtrans-67.8125.5166.2-72.8176.5-30.700108.5G38 V40 F63 L143 I226 T385 S388G38-Q59 PolarHBondContact O-N 2.88Å; V40-Q59 HydrophobicContact CB-CG 4.13Å; V40-Q59 HydrophobicContact CG1-CG 4.14Å; Q59-F63 HydrophobicContact CB-CB 4.27Å; Q59-F63 HydrophobicContact CB-CD2 4.24Å; Q59-L143 VanDerWaalsContact NE2-CD1 3.26Å; Q59-I226 HydrophobicContact CG-CD1 3.95Å; Q59-T385 WeakPolarHBondContact CA-OG1 3.28Å; Q59-T385 HydrophobicContact CG-CG2 4.44Å; Q59-S388 PolarHBondContact O-OG 3.36Å
60A56.8Low84.4Confident4 Ų410.9 Ų10.93%0.0336%0.056CC..PPolyproline II helixtrans-54.4151.6160.700000111.4K58 T385 T386 S388K58-A60 PolarHBondContact O-N 3.19Å; A60-T385 WeakPolarHBondContact CA-OG1 3.31Å; A60-T385 PolarHBondContact N-OG1 2.81Å; A60-T385 PolarHBondContact O-OG1 2.92Å; A60-T386 WeakPolarHBondContact CA-O 3.4Å; A60-T386 VanDerWaalsContact CB-C 3.48Å; A60-T386 WeakPolarHBondContact CB-O 3.36Å; A60-T386 VanDerWaalsContact CB-OG1 3.31Å; A60-T386 WeakPolarHBondContact CB-OG1 3.29Å; A60-T386 PolarHBondContact N-O 3.31Å; A60-S388 VanDerWaalsContact CA-OG 3.27Å; A60-S388 WeakPolarHBondContact CA-OG 3.19Å
61L50.8Low84.4Confident74 Ų7412.4 Ų12.439%0.3877%0.066SC..THydrogen-bonded Turntrans-27.3129.7155.2-66172.5000109.7V10 V64V10-L61 HydrophobicContact CB-CD2 3.73Å; V10-L61 HydrophobicContact CG1-CD1 4.48Å; V10-L61 HydrophobicContact CG1-CD2 3.95Å; L61-V64 HydrophobicContact CD2-CG1 3.87Å; L61-V64 HydrophobicContact CD2-CG2 4.45Å
62P59.4Low84.3Confident26 Ų269.9 Ų9.917%0.1696%0.056CC..THydrogen-bonded Turncis-94.5-523.131.4-34000117.4F7 P8 V64 S136F7-P62 HydrophobicContact CB-CB 3.68Å; F7-P62 HydrophobicContact CB-CG 3.44Å; F7-P62 VanDerWaalsContact CB-CG 3.44Å; F7-P62 HydrophobicContact CD2-CG 4.33Å; F7-P62 HydrophobicContact CG-CG 4.25Å; P8-P62 WeakPolarHBondContact O-CB 3.34Å; P62-V64 PolarHBondContact O-N 3.18Å; P62-S136 PolarHBondContact O-OG 3.25Å
63F78.1Confident83.8Confident3 Ų315.4 Ų15.41%0.0139%0.094CC..  trans-74.987-168.4-58.2-71.2000114.6F7 P37 G38 Q59 S136 V137 P138 Y383F7-F63 HydrophobicContact CD1-CE1 4.2Å; F7-F63 AromaticContact CD2-CE1 3.58Å; F7-F63 HydrophobicContact CD2-CE1 3.58Å; F7-F63 AromaticContact CD2-CZ 3.69Å; F7-F63 HydrophobicContact CD2-CZ 3.69Å; F7-F63 HydrophobicContact CE1-CE1 4.1Å; F7-F63 AromaticContact CE2-CE1 3.48Å; F7-F63 HydrophobicContact CE2-CE1 3.48Å; F7-F63 VanDerWaalsContact CE2-CE1 3.48Å; F7-F63 AromaticContact CE2-CZ 3.67Å; F7-F63 HydrophobicContact CE2-CZ 3.67Å; F7-F63 AromaticContact CG-CE1 3.96Å; F7-F63 HydrophobicContact CG-CE1 3.96Å; F7-F63 HydrophobicContact CG-CZ 4.42Å; F7-F63 AromaticContact CZ-CE1 3.75Å; F7-F63 HydrophobicContact CZ-CE1 3.75Å; F7-F63 HydrophobicContact CZ-CZ 4.36Å; P37-F63 WeakPolarHBondContact CA-O 3.29Å; G38-F63 PolarHBondContact N-O 3.16Å; Q59-F63 HydrophobicContact CB-CB 4.27Å; Q59-F63 HydrophobicContact CB-CD2 4.24Å; F63-S136 WeakPolarHBondContact CA-OG 3.44Å; F63-S136 WeakPolarHBondContact CD1-O 3.37Å; F63-V137 HydrophobicContact CB-CG2 4.17Å; F63-P138 HydrophobicContact CE1-CG 4.27Å; F63-Y383 HydrophobicContact CE1-CD1 4.03Å; F63-Y383 HydrophobicContact CE1-CE1 4.22Å; F63-Y383 HydrophobicContact CE1-CG 4.35Å; F63-Y383 HydrophobicContact CE2-CD1 4.32Å; F63-Y383 HydrophobicContact CE2-CG 4.08Å; F63-Y383 AromaticContact CZ-CD1 3.38Å; F63-Y383 HydrophobicContact CZ-CD1 3.38Å; F63-Y383 HydrophobicContact CZ-CD2 4.32Å; F63-Y383 HydrophobicContact CZ-CE1 4.03Å; F63-Y383 AromaticContact CZ-CG 3.53Å; F63-Y383 HydrophobicContact CZ-CG 3.53Å
64V86.5Confident83Confident1 Ų114.9 Ų14.91%0.00610%0.099CC..EExtended strand (participates in β ladder)trans-138.8151.7-179.7-60.40000111.7V10 L13 A36 P37 L61 P62 V66 S135 S136V10-V64 HydrophobicContact CB-CG2 4.12Å; V10-V64 HydrophobicContact CG2-CG2 4.07Å; L13-V64 HydrophobicContact CD1-CG2 3.65Å; A36-V64 CarbonylContact O-C 3.55Å; A36-V64 WeakPolarHBondContact O-CA 3.43Å; P37-V64 HydrophobicContact CB-CG1 4.3Å; L61-V64 HydrophobicContact CD2-CG1 3.87Å; L61-V64 HydrophobicContact CD2-CG2 4.45Å; P62-V64 PolarHBondContact O-N 3.18Å; V64-V66 HydrophobicContact CG2-CG2 4.1Å; V64-S135 WeakPolarHBondContact O-CA 3.42Å; V64-S136 PolarHBondContact N-OG 3.13Å; V64-S136 PolarHBondContact O-N 2.93Å; V64-S136 PolarHBondContact O-OG 2.79Å
65T91.9Very high82.3Confident3 Ų324.1 Ų24.12%0.01814%0.142CC..EExtended strand (participates in β ladder)trans-98.8130162.3-63.70000108.6C35 A36 V133 A134 S135 S148 L149 A152C35-T65 CarbonylContact C-O 3.43Å; C35-T65 WeakPolarHBondContact CA-O 3.43Å; C35-T65 WeakPolarHBondContact CB-O 3.47Å; A36-T65 PolarHBondContact N-O 3.39Å; A36-T65 PolarHBondContact O-N 3.08Å; T65-V133 HydrophobicContact CG2-CG1 3.8Å; T65-A134 CarbonylContact C-O 3.5Å; T65-A134 WeakPolarHBondContact CA-O 3.12Å; T65-S135 WeakPolarHBondContact OG1-CB 3.33Å; T65-S135 PolarHBondContact OG1-OG 3.25Å; T65-S148 PolarHBondContact OG1-OG 2.9Å; T65-L149 HydrophobicContact CG2-CB 4.38Å; T65-L149 HydrophobicContact CG2-CD1 4.06Å; T65-A152 HydrophobicContact CG2-CB 4.15Å
66V94.6Very high81.9Confident0 Ų024.4 Ų24.40%014%0.144CC..EExtended strand (participates in β ladder)trans-112.6133177.4179.70000108.7V10 L13 L14 A34 C35 V64 V68 V133 A134 L394V10-V66 HydrophobicContact CG2-CG2 4.06Å; L13-V66 HydrophobicContact CB-CB 4.4Å; L13-V66 HydrophobicContact CB-CG2 3.82Å; L13-V66 HydrophobicContact CD1-CG2 4.22Å; L14-V66 HydrophobicContact CB-CG1 4.43Å; L14-V66 HydrophobicContact CD1-CG1 4.07Å; A34-V66 CarbonylContact O-C 3.55Å; A34-V66 WeakPolarHBondContact O-CA 3.45Å; C35-V66 HydrophobicContact CB-CG2 4.03Å; V64-V66 HydrophobicContact CG2-CG2 4.1Å; V66-V68 HydrophobicContact CG1-CG2 4.02Å; V66-V133 WeakPolarHBondContact O-CA 3.46Å; V66-A134 PolarHBondContact N-O 3.39Å; V66-A134 PolarHBondContact O-N 3.26Å; V66-L394 HydrophobicContact CG1-CD1 4.09Å; V66-L394 HydrophobicContact CG2-CD1 4.4Å
67V96.8Very high82Confident0 Ų024.4 Ų24.40%015%0.145CC..EExtended strand (participates in β ladder)trans-118.4127.1173.3-175.80000107.9A33 A34 A131 V132 V133 A152 F153 F156A33-V67 CarbonylContact C-O 3.24Å; A33-V67 VanDerWaalsContact CA-O 3.24Å; A33-V67 WeakPolarHBondContact CA-O 3.27Å; A34-V67 PolarHBondContact N-O 2.87Å; A34-V67 PolarHBondContact O-N 3.4Å; V67-A131 HydrophobicContact CG1-CB 4.11Å; V67-V132 WeakPolarHBondContact CA-O 3.2Å; V67-V133 HydrophobicContact CG2-CG2 4.29Å; V67-A152 HydrophobicContact CG2-CB 3.87Å; V67-F153 HydrophobicContact CG1-CD2 4Å; V67-F153 HydrophobicContact CG1-CE2 4.25Å; V67-F153 HydrophobicContact CG2-CD2 4.14Å; V67-F156 HydrophobicContact CB-CB 4.13Å; V67-F156 HydrophobicContact CB-CG 4.41Å; V67-F156 HydrophobicContact CG1-CB 3.9Å; V67-F156 HydrophobicContact CG1-CD1 3.98Å; V67-F156 HydrophobicContact CG1-CD2 4.03Å; V67-F156 HydrophobicContact CG1-CG 3.69Å
68V97.1Very high82.7Confident0 Ų024.9 Ų24.90%015%0.147CC..EExtended strand (participates in β ladder)trans-123.7130.9177.3177.70000108.5L14 A17 R18 P30 A33 V66 A131 V132 L396L14-V68 HydrophobicContact CD1-CG2 3.55Å; A17-V68 HydrophobicContact CB-CB 4.12Å; A17-V68 HydrophobicContact CB-CG2 3.6Å; R18-V68 HydrophobicContact CG-CG1 3.87Å; R18-V68 HydrophobicContact CG-CG2 4.29Å; P30-V68 HydrophobicContact CB-CG1 3.51Å; P30-V68 HydrophobicContact CG-CG1 3.97Å; A33-V68 HydrophobicContact CB-CG2 4.19Å; V66-V68 HydrophobicContact CG1-CG2 4.02Å; V68-A131 CarbonylContact O-C 3.54Å; V68-A131 VanDerWaalsContact O-CA 3.31Å; V68-A131 WeakPolarHBondContact O-CA 3.45Å; V68-V132 PolarHBondContact N-O 3.5Å; V68-V132 PolarHBondContact O-N 3.17Å; V68-L396 HydrophobicContact CG1-CD2 4.27Å
69G96.1Very high83.9Confident0 Ų024.8 Ų24.80%015%0.147CC..EExtended strand (participates in β ladder)trans-174.8-171.9-179.100000114.6Q31 A32 R130 F156Q31-G69 PolarHBondContact N-O 3.02Å; A32-G69 PolarHBondContact N-O 3.25Å; A32-G69 PolarHBondContact O-N 2.96Å; A32-G69 VanDerWaalsContact O-O 3.13Å; G69-R130 CarbonylContact C-O 3.57Å; G69-R130 WeakPolarHBondContact CA-O 3.15Å; G69-F156 VanDerWaalsContact CA-CE2 3.49Å
70G94.5Very high85.7Confident0 Ų025.7 Ų25.70%015%0.152CC..EExtended strand (participates in β ladder)trans-164.8161.4179.600000111.7F129 R130G70-F129 VanDerWaalsContact O-CA 3.28Å; G70-F129 WeakPolarHBondContact O-CA 3.49Å; G70-F129 VanDerWaalsContact O-CB 3.29Å; G70-F129 WeakPolarHBondContact O-CB 3.38Å; G70-R130 PolarHBondContact N-O 3.04Å; G70-R130 PolarHBondContact O-N 3.2Å
71P93.2Very high87.5Confident41 Ų4126 Ų2627%0.26615%0.154SC..EExtended strand (participates in β ladder)trans-61.5147.6171.929.9-33.2000109.5N128P71-N128 CarbonylContact C-O 3.51Å; P71-N128 VanDerWaalsContact CA-O 3.29Å; P71-N128 WeakPolarHBondContact CA-O 3.26Å
72T91.5Very high89.4Confident18 Ų1823.2 Ų23.211%0.1114%0.142CC..  trans-122.5144.7178-173.10000110.9E28 G74 N128 R130E28-T72 PolarHBondContact OE1-OG1 3Å; E28-T72 WeakPolarHBondContact OE2-CA 3.23Å; E28-T72 WeakPolarHBondContact OE2-CB 3.45Å; E28-T72 PolarHBondContact OE2-OG1 2.8Å; T72-G74 PolarHBondContact OG1-N 2.82Å; T72-G74 VanDerWaalsContact OG1-N 3.14Å; T72-N128 HydrophobicContact CG2-CB 3.84Å; T72-N128 PolarHBondContact N-O 2.73Å; T72-R130 HydrophobicContact CG2-CG 4.19Å; T72-R130 VanDerWaalsContact OG1-CZ 3.29Å; T72-R130 PolarHBondContact OG1-NE 2.8Å; T72-R130 PolarHBondContact OG1-NH1 2.73Å
73S85.1Confident90.6Very high116 Ų11622.8 Ų22.881%0.81114%0.14SC*.SBendtrans-73.6-13.5167.955.90000113E28E28-S73 PolarHBondContact OE1-N 3.15Å; E28-S73 PolarHBondContact OE1-OG 2.83Å
74G80.4Confident90.9Very high24 Ų2429.2 Ų29.225%0.24717%0.171CC..SBendtrans-68.8171.7176.700000114.2T72 N128T72-G74 PolarHBondContact OG1-N 2.82Å; T72-G74 VanDerWaalsContact OG1-N 3.14Å; G74-N128 PolarHBondContact O-ND2 2.79Å
75Q80.9Confident90.7Very high195 Ų19535.9 Ų35.991%0.91121%0.206SC*.SBendtrans-85.3125.3174.7-65.1-146.8-2300111.4
76G86.4Confident90.4Very high5 Ų536.2 Ų36.25%0.05221%0.209CC..SBendtrans85.9-169.2172.800000114.7N128G76-N128 PolarHBondContact N-ND2 2.82Å; G76-N128 VanDerWaalsContact N-ND2 3.12Å; G76-N128 WeakPolarHBondContact O-CB 3.44Å
77V93Very high90.1Very high1 Ų138.8 Ų38.81%0.00622%0.223CC..EExtended strand (participates in β ladder)trans-113.3132.6-179.3166.60000109.1V79 D93 F94 L96 F129V77-V79 HydrophobicContact CG1-CG2 3.8Å; V77-D93 CarbonylContact O-C 3.58Å; V77-D93 VanDerWaalsContact O-CA 3.29Å; V77-D93 WeakPolarHBondContact O-CA 3.41Å; V77-F94 HydrophobicContact CB-CD2 4.1Å; V77-F94 HydrophobicContact CB-CE2 3.77Å; V77-F94 HydrophobicContact CB-CZ 4.11Å; V77-F94 HydrophobicContact CG1-CD2 4.39Å; V77-F94 HydrophobicContact CG1-CE1 4.11Å; V77-F94 HydrophobicContact CG1-CE2 3.66Å; V77-F94 HydrophobicContact CG1-CZ 3.5Å; V77-F94 VanDerWaalsContact CG1-CZ 3.5Å; V77-F94 HydrophobicContact CG2-CE2 4.44Å; V77-F94 PolarHBondContact N-O 2.81Å; V77-F94 PolarHBondContact O-N 2.97Å; V77-L96 HydrophobicContact CG2-CD1 3.5Å; V77-L96 VanDerWaalsContact CG2-CD1 3.5Å; V77-L96 HydrophobicContact CG2-CD2 3.9Å; V77-L96 HydrophobicContact CG2-CG 3.54Å; V77-F129 VanDerWaalsContact CA-O 3.3Å; V77-F129 WeakPolarHBondContact CA-O 3.41Å; V77-F129 HydrophobicContact CB-CZ 4.37Å; V77-F129 HydrophobicContact CG1-CD2 4Å; V77-F129 HydrophobicContact CG1-CE1 4.11Å; V77-F129 HydrophobicContact CG1-CE2 3.41Å; V77-F129 VanDerWaalsContact CG1-CE2 3.41Å; V77-F129 HydrophobicContact CG1-CZ 3.48Å; V77-F129 VanDerWaalsContact CG1-CZ 3.48Å; V77-F129 HydrophobicContact CG2-CD1 3.8Å; V77-F129 HydrophobicContact CG2-CD2 4.48Å; V77-F129 HydrophobicContact CG2-CE1 3.62Å; V77-F129 HydrophobicContact CG2-CE2 4.32Å; V77-F129 HydrophobicContact CG2-CG 4.23Å; V77-F129 HydrophobicContact CG2-CZ 3.9Å
78T95Very high89.7Confident10 Ų1044.7 Ų44.76%0.06125%0.251CS..EExtended strand (participates in β ladder)trans-117.4127.3171.4-53.20000109.5F25 V80 R91 V92 D93 F129 R130 A131F25-T78 HydrophobicContact CE1-CG2 3.96Å; F25-T78 HydrophobicContact CZ-CG2 3.73Å; T78-V80 HydrophobicContact CG2-CG2 4.29Å; T78-R91 HydrophobicContact CG2-CG 4.34Å; T78-V92 WeakPolarHBondContact CA-O 3.42Å; T78-D93 VanDerWaalsContact CB-OD1 3.31Å; T78-D93 WeakPolarHBondContact CB-OD1 3.47Å; T78-D93 WeakPolarHBondContact CG2-OD1 3.41Å; T78-D93 PolarHBondContact OG1-OD1 3.01Å; T78-F129 PolarHBondContact N-O 2.87Å; T78-F129 VanDerWaalsContact N-O 3.1Å; T78-R130 CarbonylContact O-C 3.55Å; T78-R130 WeakPolarHBondContact O-CA 3.49Å; T78-A131 PolarHBondContact O-N 3.47Å
79V96.1Very high89.5Confident0 Ų047.9 Ų47.90%027%0.271CS..EExtended strand (participates in β ladder)trans-125.3132.6174-172.40000109.8V77 R91 V92 F94 W110 V114 F129 A131 V133 F153V77-V79 HydrophobicContact CG1-CG2 3.8Å; V79-R91 WeakPolarHBondContact O-CA 3.41Å; V79-V92 HydrophobicContact CB-CG2 4Å; V79-V92 PolarHBondContact N-O 3.35Å; V79-V92 PolarHBondContact O-N 3.27Å; V79-F94 HydrophobicContact CG2-CE1 4.44Å; V79-F94 HydrophobicContact CG2-CZ 4.45Å; V79-W110 HydrophobicContact CB-CH2 4.21Å; V79-W110 HydrophobicContact CB-CZ3 4.42Å; V79-W110 HydrophobicContact CG1-CH2 3.93Å; V79-W110 HydrophobicContact CG1-CZ3 3.79Å; V79-V114 HydrophobicContact CG2-CG1 4.1Å; V79-F129 HydrophobicContact CG2-CE2 4.15Å; V79-A131 WeakPolarHBondContact CA-O 3.44Å; V79-A131 HydrophobicContact CG2-CB 4.48Å; V79-V133 HydrophobicContact CG1-CG2 3.92Å; V79-F153 HydrophobicContact CG1-CE2 4.18Å; V79-F153 HydrophobicContact CG2-CE2 4.21Å; V79-F153 HydrophobicContact CG2-CZ 4.04Å
80V95.9Very high89.3Confident18 Ų1851.9 Ų51.911%0.10929%0.286CS..EExtended strand (participates in β ladder)trans-123.7134.3178.4-178.80000109.5L24 F25 T78 R90 R91 A131 V132 V133L24-V80 HydrophobicContact CD1-CB 4.2Å; L24-V80 HydrophobicContact CD1-CG1 3.87Å; L24-V80 HydrophobicContact CD1-CG2 4.11Å; F25-V80 HydrophobicContact CZ-CG2 4.2Å; T78-V80 HydrophobicContact CG2-CG2 4.29Å; V80-R90 CarbonylContact C-O 3.51Å; V80-R90 VanDerWaalsContact CA-O 3.3Å; V80-R90 WeakPolarHBondContact CA-O 3.39Å; V80-R90 WeakPolarHBondContact CG1-O 3.48Å; V80-R91 HydrophobicContact CG2-CB 4.04Å; V80-R91 HydrophobicContact CG2-CG 3.95Å; V80-A131 PolarHBondContact N-O 2.86Å; V80-V132 HydrophobicContact CB-CG2 4.37Å; V80-V132 CarbonylContact O-C 3.56Å; V80-V132 VanDerWaalsContact O-CA 3.26Å; V80-V132 WeakPolarHBondContact O-CA 3.41Å; V80-V133 PolarHBondContact O-N 3.1Å
81T94.3Very high89.3Confident10 Ų1057.2 Ų57.26%0.06131%0.307CS..EExtended strand (participates in β ladder)trans-100.9136.7173.4-177.40000111.2A83 A86 R90 W110 V133T81-A83 PolarHBondContact OG1-N 2.93Å; T81-A86 HydrophobicContact CG2-CB 3.85Å; T81-R90 HydrophobicContact CG2-CB 3.84Å; T81-R90 HydrophobicContact CG2-CG 3.94Å; T81-R90 PolarHBondContact N-O 2.97Å; T81-W110 HydrophobicContact CG2-CD2 4.03Å; T81-W110 HydrophobicContact CG2-CG 4.45Å; T81-W110 HydrophobicContact CG2-CH2 4.37Å; T81-W110 HydrophobicContact CG2-CZ2 3.85Å; T81-V133 CarbonylContact C-O 3.45Å
82A90.5Very high89.4Confident16 Ų1655.9 Ų55.913%0.13230%0.298CS..  trans-92.8-4.3172.500000112.6E84 V133 A134A82-E84 PolarHBondContact O-N 3.26Å; A82-V133 WeakPolarHBondContact CB-O 3.32Å; A82-V133 PolarHBondContact N-O 3.27Å; A82-A134 HydrophobicContact CB-CB 4.19Å
83A85.7Confident89.4Confident17 Ų1759.4 Ų59.414%0.1432%0.316CS..  trans-72.2122.2178.300000110.5T81 A86T81-A83 PolarHBondContact OG1-N 2.93Å; A83-A86 HydrophobicContact CB-CB 4.11Å; A83-A86 WeakPolarHBondContact O-CB 3.46Å; A83-A86 PolarHBondContact O-N 3.1Å
84E83.9Confident89.6Confident139 Ų13955.2 Ų55.265%0.6528%0.283SS*.THydrogen-bonded Turntrans-70.8-33.3-176.5-64.2-175.117400112.7A82 A86 R90A82-E84 PolarHBondContact O-N 3.26Å; E84-A86 PolarHBondContact O-N 3.49Å; E84-R90 PolarHBondContact O-NH2 3.26Å
85D82.6Confident89.9Confident140 Ų14057.5 Ų57.575%0.74930%0.295SS*.THydrogen-bonded Turntrans-79.8-2.4179-61.5-38.3000113.6L139D85-L139 HydrophobicContact CB-CD1 3.81Å; D85-L139 HydrophobicContact CB-CG 4.41Å
86A85.8Confident89.9Confident11 Ų1150.5 Ų50.59%0.09126%0.264CS..SBendtrans-73.9149.4176.900000111.1T81 A83 E84 W110 L139T81-A86 HydrophobicContact CG2-CB 3.85Å; A83-A86 HydrophobicContact CB-CB 4.11Å; A83-A86 WeakPolarHBondContact O-CB 3.46Å; A83-A86 PolarHBondContact O-N 3.1Å; E84-A86 PolarHBondContact O-N 3.49Å; A86-W110 HydrophobicContact CB-CG 4.43Å; A86-L139 HydrophobicContact CB-CD1 4.37Å
87D86.9Confident88.6Confident53 Ų5355.3 Ų55.328%0.28329%0.292SS..PPolyproline II helixtrans-71.1143-179.959.4-49.5000112.8P108 R109 W110D87-P108 WeakPolarHBondContact OD2-CA 3.34Å; D87-P108 VanDerWaalsContact OD2-CB 3.25Å; D87-P108 WeakPolarHBondContact OD2-CB 3.33Å; D87-R109 PolarHBondContact OD2-N 2.8Å; D87-W110 VanDerWaalsContact O-CD1 3.27Å; D87-W110 PolarHBondContact O-NE1 3.11Å; D87-W110 PolarHBondContact OD1-N 3.31Å
88E88Confident86.7Confident125 Ų12557.5 Ų57.558%0.58432%0.315SS*.SBendtrans-74.4144.4176.2-69.4-65.716900111R90E88-R90 WeakPolarHBondContact OE1-CD 3.48Å; E88-R90 IonicContact OE1-CZ 3.21Å; E88-R90 IonicContact OE1-NE 2.75Å; E88-R90 PolarHBondContact OE1-NE 3.49Å; E88-R90 VanDerWaalsContact OE1-NE 3.15Å; E88-R90 PolarHBondContact OE2-N 2.8Å
89P93.1Very high84.2Confident66 Ų6665.9 Ų65.943%0.42936%0.36SS..PPolyproline II helixcis-76.9141.1230.8-36.1000113.7R91 P108 W110P89-R91 PolarHBondContact O-N 2.96Å; P89-P108 HydrophobicContact CG-CG 4.25Å; P89-P108 WeakPolarHBondContact O-CG 3.32Å; P89-W110 PolarHBondContact O-NE1 2.93Å; P89-W110 VanDerWaalsContact O-NE1 3.12Å
90R93.3Very high82Confident84 Ų8469.7 Ų69.732%0.31740%0.399SS..SBendtrans-74.11.4172.9-68.5177.2-172169.34.3114.6V80 T81 E84 E88V80-R90 CarbonylContact C-O 3.51Å; V80-R90 VanDerWaalsContact CA-O 3.3Å; V80-R90 WeakPolarHBondContact CA-O 3.39Å; V80-R90 WeakPolarHBondContact CG1-O 3.48Å; T81-R90 HydrophobicContact CG2-CB 3.84Å; T81-R90 HydrophobicContact CG2-CG 3.94Å; T81-R90 PolarHBondContact N-O 2.97Å; E84-R90 PolarHBondContact O-NH2 3.26Å; E88-R90 WeakPolarHBondContact OE1-CD 3.48Å; E88-R90 IonicContact OE1-CZ 3.21Å; E88-R90 IonicContact OE1-NE 2.75Å; E88-R90 PolarHBondContact OE1-NE 3.49Å; E88-R90 VanDerWaalsContact OE1-NE 3.15Å; E88-R90 PolarHBondContact OE2-N 2.8Å
91R94.7Very high80Confident113 Ų11373.4 Ų73.443%0.42643%0.425SS..EExtended strand (participates in β ladder)trans-128.2134.7175171.8175.7174.6139.56.5109.5T78 V79 V80 P89 D93T78-R91 HydrophobicContact CG2-CG 4.34Å; V79-R91 WeakPolarHBondContact O-CA 3.41Å; V80-R91 HydrophobicContact CG2-CB 4.04Å; V80-R91 HydrophobicContact CG2-CG 3.95Å; P89-R91 PolarHBondContact O-N 2.96Å; R91-D93 IonicContact CZ-OD1 3.86Å; R91-D93 IonicContact CZ-OD2 2.87Å; R91-D93 IonicContact NE-OD1 3.85Å; R91-D93 IonicContact NE-OD2 2.72Å; R91-D93 PolarHBondContact NE-OD2 2.83Å; R91-D93 IonicContact NH2-OD1 3.52Å; R91-D93 PolarHBondContact NH2-OD1 2.77Å; R91-D93 IonicContact NH2-OD2 2.8Å; R91-D93 PolarHBondContact NH2-OD2 3.48Å
92V93.9Very high78.9Confident13 Ų1376.9 Ų76.98%0.07945%0.449CS..EExtended strand (participates in β ladder)trans-131.1139.5172.4-63.40000110.6T78 V79 F94 P108 W110 A111T78-V92 WeakPolarHBondContact CA-O 3.42Å; V79-V92 HydrophobicContact CB-CG2 4Å; V79-V92 PolarHBondContact N-O 3.35Å; V79-V92 PolarHBondContact O-N 3.27Å; V92-F94 HydrophobicContact CG2-CD1 4.25Å; V92-F94 HydrophobicContact CG2-CE1 3.93Å; V92-P108 VanDerWaalsContact CG1-CD 3.46Å; V92-P108 HydrophobicContact CG1-CG 3.56Å; V92-W110 HydrophobicContact CG1-CH2 4.42Å; V92-W110 HydrophobicContact CG1-CZ2 3.97Å; V92-W110 HydrophobicContact CG2-CH2 3.68Å; V92-W110 HydrophobicContact CG2-CZ2 4.08Å; V92-W110 HydrophobicContact CG2-CZ3 4.43Å; V92-A111 HydrophobicContact CB-CB 4.41Å; V92-A111 HydrophobicContact CG1-CB 3.82Å; V92-A111 HydrophobicContact CG2-CB 3.95Å
93D92.3Very high78.7Confident91 Ų9177.2 Ų77.249%0.48745%0.449SS..EExtended strand (participates in β ladder)trans-123.8131.5175.9-62.3-86.4000108V77 T78 R91V77-D93 CarbonylContact O-C 3.58Å; V77-D93 VanDerWaalsContact O-CA 3.29Å; V77-D93 WeakPolarHBondContact O-CA 3.41Å; T78-D93 VanDerWaalsContact CB-OD1 3.31Å; T78-D93 WeakPolarHBondContact CB-OD1 3.47Å; T78-D93 WeakPolarHBondContact CG2-OD1 3.41Å; T78-D93 PolarHBondContact OG1-OD1 3.01Å; R91-D93 IonicContact CZ-OD1 3.86Å; R91-D93 IonicContact CZ-OD2 2.87Å; R91-D93 IonicContact NE-OD1 3.85Å; R91-D93 IonicContact NE-OD2 2.72Å; R91-D93 PolarHBondContact NE-OD2 2.83Å; R91-D93 IonicContact NH2-OD1 3.52Å; R91-D93 PolarHBondContact NH2-OD1 2.77Å; R91-D93 IonicContact NH2-OD2 2.8Å; R91-D93 PolarHBondContact NH2-OD2 3.48Å
94F89.9Confident78.6Confident28 Ų2880.4 Ų80.412%0.12347%0.47CS..EExtended strand (participates in β ladder)trans-154154.3177.952.8-92.4000112V77 V79 V92 L96 L103 V114 K115 I118V77-F94 HydrophobicContact CB-CD2 4.1Å; V77-F94 HydrophobicContact CB-CE2 3.77Å; V77-F94 HydrophobicContact CB-CZ 4.11Å; V77-F94 HydrophobicContact CG1-CD2 4.39Å; V77-F94 HydrophobicContact CG1-CE1 4.11Å; V77-F94 HydrophobicContact CG1-CE2 3.66Å; V77-F94 HydrophobicContact CG1-CZ 3.5Å; V77-F94 VanDerWaalsContact CG1-CZ 3.5Å; V77-F94 HydrophobicContact CG2-CE2 4.44Å; V77-F94 PolarHBondContact N-O 2.81Å; V77-F94 PolarHBondContact O-N 2.97Å; V79-F94 HydrophobicContact CG2-CE1 4.44Å; V79-F94 HydrophobicContact CG2-CZ 4.45Å; V92-F94 HydrophobicContact CG2-CD1 4.25Å; V92-F94 HydrophobicContact CG2-CE1 3.93Å; F94-L96 HydrophobicContact CE2-CD2 4.44Å; F94-L103 HydrophobicContact CD2-CD1 4.42Å; F94-L103 HydrophobicContact CD2-CD2 3.88Å; F94-L103 HydrophobicContact CE2-CD1 4.2Å; F94-L103 HydrophobicContact CE2-CD2 4.47Å; F94-V114 HydrophobicContact CZ-CG1 4.34Å; F94-K115 HydrophobicContact CE1-CG 4.32Å; F94-K115 HydrophobicContact CZ-CG 4.36Å; F94-I118 HydrophobicContact CE2-CD1 3.54Å; F94-I118 HydrophobicContact CZ-CD1 3.53Å
95S86.3Confident78.9Confident73 Ų7377 Ų7751%0.5146%0.46SS..  trans-95.1140.8-177.5-62.20000112.2
96L80.1Confident79.2Confident47 Ų4771.9 Ų71.925%0.24644%0.44CS..  trans-86.8-6.5172.9-61.7178.1000113.2V77 F94 G98 I118 L126 P127V77-L96 HydrophobicContact CG2-CD1 3.5Å; V77-L96 VanDerWaalsContact CG2-CD1 3.5Å; V77-L96 HydrophobicContact CG2-CD2 3.9Å; V77-L96 HydrophobicContact CG2-CG 3.54Å; F94-L96 HydrophobicContact CE2-CD2 4.44Å; L96-G98 PolarHBondContact O-N 3.28Å; L96-I118 HydrophobicContact CD2-CG2 3.57Å; L96-L126 HydrophobicContact CD1-CB 4.05Å; L96-P127 WeakPolarHBondContact CD1-O 3.42Å
97T59.4Low79.4Confident107 Ų10777.8 Ų77.866%0.65647%0.47SS*.  trans-82.4120-169.251.20000112.8
98G52.3Low79.6Confident47 Ų4775.4 Ų75.449%0.48546%0.457SS..  trans142.4113.8162.300000111.5L96 G100 C101L96-G98 PolarHBondContact O-N 3.28Å; G98-G100 PolarHBondContact O-N 3.22Å; G98-C101 PolarHBondContact O-N 3.49Å
99D43.2Very low79.8Confident186 Ų18678.2 Ų78.2100%0.99546%0.462SS*.THydrogen-bonded Turntrans-56.2102.7164.5-77.8-27.8000107.8
100G50.2Low79.7Confident80 Ų8076 Ų7683%0.82545%0.445SS*.THydrogen-bonded Turntrans108.1-1.9-178.100000117G98 S102G98-G100 PolarHBondContact O-N 3.22Å; G100-S102 PolarHBondContact O-N 2.93Å
101C53.7Low79.7Confident96 Ų9672 Ų7265%0.64943%0.43SS*.  trans-82.890.3170.6-910000110.6G98 L103G98-C101 PolarHBondContact O-N 3.49Å; C101-L103 PolarHBondContact O-N 3.47Å
102S72.1Confident79.7Confident82 Ų8267.2 Ų67.257%0.57341%0.413SS*.PPolyproline II helixtrans-64.6126.5170.7-173.70000110.2G100 S104G100-S102 PolarHBondContact O-N 2.93Å; S102-S104 PolarHBondContact O-N 2.96Å
103L84.3Confident79.7Confident24 Ų2469 Ų6913%0.12642%0.419CS..PPolyproline II helixtrans-63.8117.2171.2-67.6174000108.4F94 C101 K115 I118 H181F94-L103 HydrophobicContact CD2-CD1 4.42Å; F94-L103 HydrophobicContact CD2-CD2 3.88Å; F94-L103 HydrophobicContact CE2-CD1 4.2Å; F94-L103 HydrophobicContact CE2-CD2 4.47Å; C101-L103 PolarHBondContact O-N 3.47Å; L103-K115 HydrophobicContact CB-CB 4.14Å; L103-K115 HydrophobicContact CD1-CB 4.22Å; L103-K115 HydrophobicContact CD1-CG 4.44Å; L103-I118 HydrophobicContact CD1-CB 3.89Å; L103-I118 HydrophobicContact CD1-CG2 3.65Å; L103-H181 PolarHBondContact O-NE2 3.12Å
104S85.3Confident79.8Confident83 Ų8364.8 Ų64.858%0.5840%0.396SS*.PPolyproline II helixtrans-86.3146.2-178.557.10000112.2S102S102-S104 PolarHBondContact O-N 2.96Å
105P89.9Confident80Confident68 Ų6864.8 Ų64.844%0.44240%0.396SS..PPolyproline II helixtrans-63.6147.4170-18.633.5000110.8H181P105-H181 HydrophobicContact CG-CB 4.37Å
106G89.5Confident80.4Confident33 Ų3361.3 Ų61.334%0.3437%0.372SS..  trans-170.2-154178.600000113.2N112G106-N112 PolarHBondContact N-OD1 3.24Å; G106-N112 PolarHBondContact O-ND2 3.43Å; G106-N112 PolarHBondContact O-OD1 2.96Å
107L88.1Confident81.1Confident135 Ų13559.1 Ų59.171%0.70736%0.36SS*.SBendtrans-99.7147.1168.9-64.9175.9000109.7R109L107-R109 HydrophobicContact CD2-CG 4.1Å
108P92.6Very high82.7Confident2 Ų254.7 Ų54.71%0.01333%0.332CS..SBendcis-73.1151.8-7.134.3-37.1000111.9D87 P89 V92 W110 A111D87-P108 WeakPolarHBondContact OD2-CA 3.34Å; D87-P108 VanDerWaalsContact OD2-CB 3.25Å; D87-P108 WeakPolarHBondContact OD2-CB 3.33Å; P89-P108 HydrophobicContact CG-CG 4.25Å; P89-P108 WeakPolarHBondContact O-CG 3.32Å; V92-P108 VanDerWaalsContact CG1-CD 3.46Å; V92-P108 HydrophobicContact CG1-CG 3.56Å; P108-W110 VanDerWaalsContact C-N 3.33Å; P108-W110 HydrophobicContact CB-CG 4.46Å; P108-W110 HydrophobicContact CG-CD2 4.48Å; P108-W110 HydrophobicContact CG-CG 4.47Å; P108-W110 HydrophobicContact CG-CZ2 4.26Å; P108-W110 VanDerWaalsContact CG-NE1 3.25Å; P108-W110 PolarHBondContact O-N 3.07Å; P108-A111 HydrophobicContact CG-CB 3.9Å; P108-A111 WeakPolarHBondContact O-CB 3.36Å; P108-A111 PolarHBondContact O-N 3.25Å; P108-A111 VanDerWaalsContact O-N 3.14Å
109R90.9Very high84.6Confident185 Ų18555.9 Ų55.970%0.69833%0.325SS*.THydrogen-bonded Turntrans-60.2-39.3-177.7-66.2-177.2176.5-179.3-0.8112.2D87 L107 A111 N112D87-R109 PolarHBondContact OD2-N 2.8Å; L107-R109 HydrophobicContact CD2-CG 4.1Å; R109-A111 PolarHBondContact O-N 2.73Å; R109-N112 WeakPolarHBondContact O-CB 3.42Å; R109-N112 PolarHBondContact O-N 3Å
110W91.9Very high87Confident18 Ų1849.6 Ų49.67%0.06829%0.29CS..Hα-helixtrans-58.9-32.1178.273.6-101.9000112.3V79 T81 A86 D87 P89 V92 P108 N112 Y113 V114V79-W110 HydrophobicContact CB-CH2 4.21Å; V79-W110 HydrophobicContact CB-CZ3 4.42Å; V79-W110 HydrophobicContact CG1-CH2 3.93Å; V79-W110 HydrophobicContact CG1-CZ3 3.79Å; T81-W110 HydrophobicContact CG2-CD2 4.03Å; T81-W110 HydrophobicContact CG2-CG 4.45Å; T81-W110 HydrophobicContact CG2-CH2 4.37Å; T81-W110 HydrophobicContact CG2-CZ2 3.85Å; A86-W110 HydrophobicContact CB-CG 4.43Å; D87-W110 VanDerWaalsContact O-CD1 3.27Å; D87-W110 PolarHBondContact O-NE1 3.11Å; D87-W110 PolarHBondContact OD1-N 3.31Å; P89-W110 PolarHBondContact O-NE1 2.93Å; P89-W110 VanDerWaalsContact O-NE1 3.12Å; V92-W110 HydrophobicContact CG1-CH2 4.42Å; V92-W110 HydrophobicContact CG1-CZ2 3.97Å; V92-W110 HydrophobicContact CG2-CH2 3.68Å; V92-W110 HydrophobicContact CG2-CZ2 4.08Å; V92-W110 HydrophobicContact CG2-CZ3 4.43Å; P108-W110 VanDerWaalsContact C-N 3.33Å; P108-W110 HydrophobicContact CB-CG 4.46Å; P108-W110 HydrophobicContact CG-CD2 4.48Å; P108-W110 HydrophobicContact CG-CG 4.47Å; P108-W110 HydrophobicContact CG-CZ2 4.26Å; P108-W110 VanDerWaalsContact CG-NE1 3.25Å; P108-W110 PolarHBondContact O-N 3.07Å; W110-N112 VanDerWaalsContact C-N 3.27Å; W110-N112 PolarHBondContact O-N 2.84Å; W110-Y113 WeakPolarHBondContact O-CD2 3.33Å; W110-V114 HydrophobicContact CZ3-CG2 4.29Å
111A94.1Very high89.1Confident0 Ų046.6 Ų46.60%025%0.254CS..Hα-helixtrans-74.2-17.5-179.600000112.9V92 P108 R109 Y113 V114 K115V92-A111 HydrophobicContact CB-CB 4.41Å; V92-A111 HydrophobicContact CG1-CB 3.82Å; V92-A111 HydrophobicContact CG2-CB 3.95Å; P108-A111 HydrophobicContact CG-CB 3.9Å; P108-A111 WeakPolarHBondContact O-CB 3.36Å; P108-A111 PolarHBondContact O-N 3.25Å; P108-A111 VanDerWaalsContact O-N 3.14Å; R109-A111 PolarHBondContact O-N 2.73Å; A111-Y113 VanDerWaalsContact C-N 3.33Å; A111-Y113 PolarHBondContact O-N 3.48Å; A111-V114 PolarHBondContact O-N 3.38Å; A111-K115 WeakPolarHBondContact O-CB 3.28Å; A111-K115 WeakPolarHBondContact O-CG 3.35Å; A111-K115 PolarHBondContact O-N 3.34Å
112N94Very high90.7Very high13 Ų1347 Ų477%0.0724%0.242CC..Hα-helixtrans-66.1-36.7178.2-67.3-24000112G106 R109 W110 V114 K115 G116 H181G106-N112 PolarHBondContact N-OD1 3.24Å; G106-N112 PolarHBondContact O-ND2 3.43Å; G106-N112 PolarHBondContact O-OD1 2.96Å; R109-N112 WeakPolarHBondContact O-CB 3.42Å; R109-N112 PolarHBondContact O-N 3Å; W110-N112 VanDerWaalsContact C-N 3.27Å; W110-N112 PolarHBondContact O-N 2.84Å; N112-V114 VanDerWaalsContact C-N 3.33Å; N112-V114 PolarHBondContact O-N 2.89Å; N112-K115 PolarHBondContact O-N 3.39Å; N112-G116 PolarHBondContact O-N 3.33Å; N112-H181 HydrophobicContact CB-CB 4.2Å; N112-H181 WeakPolarHBondContact CB-O 3.36Å; N112-H181 VanDerWaalsContact O-CB 3.24Å; N112-H181 WeakPolarHBondContact O-CB 3.34Å
113Y94Very high91.5Very high52 Ų5243.7 Ų43.720%0.20422%0.219CC..Hα-helixtrans-60-45.6173.7-58.9-69.7000111.1W110 A111 G116 V117 L149 E150 E178 A182W110-Y113 WeakPolarHBondContact O-CD2 3.33Å; A111-Y113 VanDerWaalsContact C-N 3.33Å; A111-Y113 PolarHBondContact O-N 3.48Å; Y113-G116 PolarHBondContact O-N 2.9Å; Y113-V117 WeakPolarHBondContact O-CG2 3.27Å; Y113-V117 PolarHBondContact O-N 3.15Å; Y113-L149 HydrophobicContact CD2-CD2 4.17Å; Y113-L149 HydrophobicContact CG-CD2 4.37Å; Y113-E150 HydrophobicContact CD1-CG 4.29Å; Y113-E150 VanDerWaalsContact CD1-OE1 3.28Å; Y113-E150 WeakPolarHBondContact CD1-OE1 3.33Å; Y113-E178 HydrophobicContact CE1-CG 4.42Å; Y113-A182 HydrophobicContact CD1-CB 3.88Å; Y113-A182 HydrophobicContact CE1-CB 3.33Å
114V94.8Very high91.4Very high1 Ų147.9 Ų47.91%0.00625%0.248CC..Hα-helixtrans-64.2-49.7178.1170.80000111.6V79 F94 W110 A111 N112 G116 V117 I118 L149 F153V79-V114 HydrophobicContact CG2-CG1 4.1Å; F94-V114 HydrophobicContact CZ-CG1 4.34Å; W110-V114 HydrophobicContact CZ3-CG2 4.29Å; A111-V114 PolarHBondContact O-N 3.38Å; N112-V114 VanDerWaalsContact C-N 3.33Å; N112-V114 PolarHBondContact O-N 2.89Å; V114-G116 VanDerWaalsContact C-N 3.31Å; V114-G116 PolarHBondContact O-N 3.27Å; V114-V117 PolarHBondContact O-N 2.89Å; V114-I118 HydrophobicContact CG1-CD1 3.95Å; V114-I118 WeakPolarHBondContact O-CG1 3.41Å; V114-I118 PolarHBondContact O-N 2.83Å; V114-L149 HydrophobicContact CG2-CD1 4.27Å; V114-L149 HydrophobicContact CG2-CD2 4.37Å; V114-L149 HydrophobicContact CG2-CG 4.44Å; V114-F153 HydrophobicContact CG1-CD1 4.17Å; V114-F153 HydrophobicContact CG1-CD2 4.24Å; V114-F153 HydrophobicContact CG1-CE1 3.64Å; V114-F153 HydrophobicContact CG1-CE2 3.71Å; V114-F153 HydrophobicContact CG1-CG 4.44Å; V114-F153 HydrophobicContact CG1-CZ 3.36Å; V114-F153 HydrophobicContact CG2-CD2 4.06Å; V114-F153 HydrophobicContact CG2-CE2 4.15Å; V114-F153 HydrophobicContact CG2-CG 4.43Å
115K93.9Very high91.4Very high29 Ų2947 Ų4713%0.12625%0.253CS..Hα-helixtrans-58.9-43.6177.8-73.5172.5179.4179.30111.6F94 L103 A111 N112 V117 I118 Q119F94-K115 HydrophobicContact CE1-CG 4.32Å; F94-K115 HydrophobicContact CZ-CG 4.36Å; L103-K115 HydrophobicContact CB-CB 4.14Å; L103-K115 HydrophobicContact CD1-CB 4.22Å; L103-K115 HydrophobicContact CD1-CG 4.44Å; A111-K115 WeakPolarHBondContact O-CB 3.28Å; A111-K115 WeakPolarHBondContact O-CG 3.35Å; A111-K115 PolarHBondContact O-N 3.34Å; N112-K115 PolarHBondContact O-N 3.39Å; K115-V117 PolarHBondContact O-N 3.33Å; K115-I118 PolarHBondContact O-N 2.88Å; K115-Q119 WeakPolarHBondContact O-CB 3.45Å; K115-Q119 PolarHBondContact O-N 3.39Å
116G93.7Very high91.3Very high0 Ų045.2 Ų45.20%024%0.239CC..Hα-helixtrans-63.6-41.4178.700000112.8N112 Y113 V114 I118 Q119 H120 H181N112-G116 PolarHBondContact O-N 3.33Å; Y113-G116 PolarHBondContact O-N 2.9Å; V114-G116 VanDerWaalsContact C-N 3.31Å; V114-G116 PolarHBondContact O-N 3.27Å; G116-I118 VanDerWaalsContact C-N 3.33Å; G116-I118 PolarHBondContact O-N 3.5Å; G116-Q119 PolarHBondContact O-N 2.91Å; G116-H120 PolarHBondContact O-CD2 3.34Å; G116-H120 PolarHBondContact O-N 3.14Å; G116-H181 VanDerWaalsContact CA-CD2 3.49Å; G116-H181 WeakPolarHBondContact CA-CD2 3.29Å; G116-H181 WeakPolarHBondContact CA-ND1 3.44Å; G116-H181 PolarHBondContact N-CD2 3.45Å
117V95.2Very high91.4Very high0 Ų045.8 Ų45.80%024%0.236CC..Hα-helixtrans-63.5-39.9175.4167.40000111.7Y113 V114 K115 Y121 E150 F153 Y154 L157 A177Y113-V117 WeakPolarHBondContact O-CG2 3.27Å; Y113-V117 PolarHBondContact O-N 3.15Å; V114-V117 PolarHBondContact O-N 2.89Å; K115-V117 PolarHBondContact O-N 3.33Å; V117-Y121 WeakPolarHBondContact O-CA 3.24Å; V117-Y121 WeakPolarHBondContact O-CB 3.45Å; V117-Y121 PolarHBondContact O-N 3.34Å; V117-E150 HydrophobicContact CG2-CB 3.76Å; V117-E150 HydrophobicContact CG2-CG 4Å; V117-F153 HydrophobicContact CG1-CD1 4.14Å; V117-Y154 HydrophobicContact CG1-CD2 4.07Å; V117-Y154 HydrophobicContact CG1-CG 4.37Å; V117-L157 HydrophobicContact CG1-CD1 3.95Å; V117-A177 HydrophobicContact CG2-CB 4.04Å
118I93.6Very high91.6Very high15 Ų1541.3 Ų41.38%0.07721%0.214CC..Hα-helixtrans-65.7-44.3175.8-66166.4000110.6F94 L96 L103 V114 K115 G116 H120 Y121 L126 F129 F153 L157F94-I118 HydrophobicContact CE2-CD1 3.54Å; F94-I118 HydrophobicContact CZ-CD1 3.53Å; L96-I118 HydrophobicContact CD2-CG2 3.57Å; L103-I118 HydrophobicContact CD1-CB 3.89Å; L103-I118 HydrophobicContact CD1-CG2 3.65Å; V114-I118 HydrophobicContact CG1-CD1 3.95Å; V114-I118 WeakPolarHBondContact O-CG1 3.41Å; V114-I118 PolarHBondContact O-N 2.83Å; K115-I118 PolarHBondContact O-N 2.88Å; G116-I118 VanDerWaalsContact C-N 3.33Å; G116-I118 PolarHBondContact O-N 3.5Å; I118-H120 VanDerWaalsContact C-N 3.33Å; I118-H120 PolarHBondContact O-N 2.99Å; I118-Y121 WeakPolarHBondContact O-CB 3.3Å; I118-Y121 PolarHBondContact O-N 3.08Å; I118-L126 HydrophobicContact CG2-CD1 4.04Å; I118-F129 HydrophobicContact CD1-CE1 4.44Å; I118-F129 HydrophobicContact CD1-CZ 3.83Å; I118-F129 HydrophobicContact CG1-CZ 4.4Å; I118-F153 HydrophobicContact CD1-CE1 3.9Å; I118-F153 HydrophobicContact CD1-CZ 4.36Å; I118-F153 HydrophobicContact CG1-CE1 3.83Å; I118-L157 HydrophobicContact CG1-CD1 4.06Å
119Q92.1Very high91.7Very high71 Ų7141.2 Ų41.233%0.33221%0.213SC..Hα-helixtrans-62.4-38.5-179.4-177.961.142.900112.6K115 G116K115-Q119 WeakPolarHBondContact O-CB 3.45Å; K115-Q119 PolarHBondContact O-N 3.39Å; G116-Q119 PolarHBondContact O-N 2.91Å
120H93.1Very high92Very high54 Ų5434.9 Ų34.925%0.2519%0.189CC..THydrogen-bonded Turntrans-9811.8179.7-63.3-64.7000113G116 I118 R122 A173 Q176 T180 H181G116-H120 PolarHBondContact O-CD2 3.34Å; G116-H120 PolarHBondContact O-N 3.14Å; I118-H120 VanDerWaalsContact C-N 3.33Å; I118-H120 PolarHBondContact O-N 2.99Å; H120-R122 PolarHBondContact O-N 3.27Å; H120-A173 HydrophobicContact CB-CB 4.29Å; H120-A173 WeakPolarHBondContact O-CB 3.17Å; H120-Q176 VanDerWaalsContact CE1-CG 3.41Å; H120-Q176 WeakPolarHBondContact CE1-CG 3.44Å; H120-T180 PolarHBondContact NE2-OG1 2.91Å; H120-H181 AromaticContact NE2-CE1 3.91Å
121Y93.8Very high92.2Very high18 Ų1834 Ų347%0.07119%0.186CC..  trans-66.3132.9178.5-167.6-115.2000110.6V117 I118 A123 L126 Y154 L157 Q158 K161V117-Y121 WeakPolarHBondContact O-CA 3.24Å; V117-Y121 WeakPolarHBondContact O-CB 3.45Å; V117-Y121 PolarHBondContact O-N 3.34Å; I118-Y121 WeakPolarHBondContact O-CB 3.3Å; I118-Y121 PolarHBondContact O-N 3.08Å; Y121-A123 HydrophobicContact CD1-CB 4.06Å; Y121-A123 HydrophobicContact CE1-CB 3.54Å; Y121-A123 PolarHBondContact O-N 2.66Å; Y121-L126 HydrophobicContact CD1-CD1 3.68Å; Y121-L126 HydrophobicContact CD1-CD2 3.62Å; Y121-L126 HydrophobicContact CD1-CG 3.7Å; Y121-L126 HydrophobicContact CE1-CD1 4.48Å; Y121-L126 HydrophobicContact CE1-CD2 3.58Å; Y121-L126 HydrophobicContact CE1-CG 4.15Å; Y121-L126 HydrophobicContact CG-CD1 4.06Å; Y121-Y154 HydrophobicContact CD2-CD1 4.33Å; Y121-Y154 HydrophobicContact CD2-CD2 4.01Å; Y121-Y154 HydrophobicContact CD2-CE1 4.09Å; Y121-Y154 AromaticContact CD2-CE2 3.7Å; Y121-Y154 HydrophobicContact CD2-CE2 3.7Å; Y121-Y154 HydrophobicContact CD2-CG 4.32Å; Y121-Y154 AromaticContact CD2-CZ 3.75Å; Y121-Y154 AromaticContact CE2-CD1 3.85Å; Y121-Y154 HydrophobicContact CE2-CD1 3.85Å; Y121-Y154 HydrophobicContact CE2-CD2 4.36Å; Y121-Y154 AromaticContact CE2-CE1 3.56Å; Y121-Y154 HydrophobicContact CE2-CE1 3.56Å; Y121-Y154 HydrophobicContact CE2-CE2 4.06Å; Y121-Y154 HydrophobicContact CE2-CG 4.26Å; Y121-Y154 AromaticContact CE2-CZ 3.66Å; Y121-L157 HydrophobicContact CD2-CB 4.03Å; Y121-L157 HydrophobicContact CD2-CD1 3.83Å; Y121-L157 HydrophobicContact CE1-CB 4.31Å; Y121-L157 HydrophobicContact CE2-CB 3.65Å; Y121-L157 HydrophobicContact CE2-CD1 4.33Å; Y121-L157 HydrophobicContact CG-CD1 4.03Å; Y121-L157 PolarHBondContact OH-O 3.46Å; Y121-Q158 HydrophobicContact CE2-CG 4.31Å; Y121-Q158 WeakPolarHBondContact OH-CA 3.43Å; Y121-Q158 WeakPolarHBondContact OH-CG 3.23Å; Y121-Q158 PolarHBondContact OH-N 2.95Å; Y121-K161 PolarHBondContact OH-O 3.49Å
122R88.8Confident92.4Very high104 Ų10434 Ų3439%0.39219%0.186SC..SBendtrans-80.4-17.3-166.8-62.8179.273.2-167.814.1114.3H120 Y154 D163 N164 E166H120-R122 PolarHBondContact O-N 3.27Å; R122-Y154 WeakPolarHBondContact CD-OH 3.43Å; R122-Y154 WeakPolarHBondContact CG-OH 3.2Å; R122-D163 HydrophobicContact CB-CB 4.36Å; R122-N164 PolarHBondContact NH1-ND2 3.31Å; R122-N164 PolarHBondContact NH1-OD1 3.16Å; R122-N164 PolarHBondContact NH2-ND2 2.86Å; R122-E166 IonicContact CZ-OE2 3.27Å; R122-E166 VanDerWaalsContact CZ-OE2 3.27Å; R122-E166 IonicContact NH1-OE2 2.81Å; R122-E166 PolarHBondContact NH1-OE2 3.36Å; R122-E166 IonicContact NH2-OE2 2.78Å; R122-E166 PolarHBondContact NH2-OE2 3.45Å
123A87.3Confident92.5Very high13 Ų1333.6 Ų33.611%0.10718%0.184CC..SBendtrans-95.4133.9178.300000111.1Y121 K161 D163Y121-A123 HydrophobicContact CD1-CB 4.06Å; Y121-A123 HydrophobicContact CE1-CB 3.54Å; Y121-A123 PolarHBondContact O-N 2.66Å; A123-K161 HydrophobicContact CB-CG 4.05Å; A123-D163 HydrophobicContact CB-CB 4.04Å
124P83.5Confident92.4Very high111 Ų11131.4 Ų31.472%0.72118%0.176SC*.SBendtrans-73.9151.9177.430.9-35000111.7
125G84Confident92.2Very high66 Ų6632.8 Ų32.868%0.6819%0.186SC*.  trans67.757170.100000113.7
126L89.1Confident91.9Very high29 Ų2931.8 Ų31.815%0.15218%0.183CC..PPolyproline II helixtrans-60.2134.4169.3-80.8171.1000110.4L96 I118 Y121 L157 K161L96-L126 HydrophobicContact CD1-CB 4.05Å; I118-L126 HydrophobicContact CG2-CD1 4.04Å; Y121-L126 HydrophobicContact CD1-CD1 3.68Å; Y121-L126 HydrophobicContact CD1-CD2 3.62Å; Y121-L126 HydrophobicContact CD1-CG 3.7Å; Y121-L126 HydrophobicContact CE1-CD1 4.48Å; Y121-L126 HydrophobicContact CE1-CD2 3.58Å; Y121-L126 HydrophobicContact CE1-CG 4.15Å; Y121-L126 HydrophobicContact CG-CD1 4.06Å; L126-L157 HydrophobicContact CD1-CD1 4.18Å; L126-L157 HydrophobicContact CD1-CD2 4.4Å; L126-L157 HydrophobicContact CD2-CB 4.37Å; L126-L157 HydrophobicContact CD2-CD2 4.17Å; L126-K161 HydrophobicContact CD2-CB 3.92Å
127P91Very high91.4Very high45 Ų4532 Ų3229%0.29218%0.184SC..PPolyproline II helixtrans-68.3158.2171.731-34.6000110.2L96 F129 L160L96-P127 WeakPolarHBondContact CD1-O 3.42Å; P127-F129 WeakPolarHBondContact O-CD1 3.41Å; P127-L160 HydrophobicContact CG-CB 4.21Å
128N92.9Very high90.7Very high42 Ų4233.2 Ų33.223%0.22519%0.192CC..PPolyproline II helixtrans-60.2140.8163.4-73-16000109.3P71 T72 G74 G76P71-N128 CarbonylContact C-O 3.51Å; P71-N128 VanDerWaalsContact CA-O 3.29Å; P71-N128 WeakPolarHBondContact CA-O 3.26Å; T72-N128 HydrophobicContact CG2-CB 3.84Å; T72-N128 PolarHBondContact N-O 2.73Å; G74-N128 PolarHBondContact O-ND2 2.79Å; G76-N128 PolarHBondContact N-ND2 2.82Å; G76-N128 VanDerWaalsContact N-ND2 3.12Å; G76-N128 WeakPolarHBondContact O-CB 3.44Å
129F94.9Very high90Very high0 Ų035.4 Ų35.40%020%0.203CC..EExtended strand (participates in β ladder)trans-148.4161.1-179.165.2-99.8000112.6G70 V77 T78 V79 I118 P127 A131 F153 F156 L157 L160G70-F129 VanDerWaalsContact O-CA 3.28Å; G70-F129 WeakPolarHBondContact O-CA 3.49Å; G70-F129 VanDerWaalsContact O-CB 3.29Å; G70-F129 WeakPolarHBondContact O-CB 3.38Å; V77-F129 VanDerWaalsContact CA-O 3.3Å; V77-F129 WeakPolarHBondContact CA-O 3.41Å; V77-F129 HydrophobicContact CB-CZ 4.37Å; V77-F129 HydrophobicContact CG1-CD2 4Å; V77-F129 HydrophobicContact CG1-CE1 4.11Å; V77-F129 HydrophobicContact CG1-CE2 3.41Å; V77-F129 VanDerWaalsContact CG1-CE2 3.41Å; V77-F129 HydrophobicContact CG1-CZ 3.48Å; V77-F129 VanDerWaalsContact CG1-CZ 3.48Å; V77-F129 HydrophobicContact CG2-CD1 3.8Å; V77-F129 HydrophobicContact CG2-CD2 4.48Å; V77-F129 HydrophobicContact CG2-CE1 3.62Å; V77-F129 HydrophobicContact CG2-CE2 4.32Å; V77-F129 HydrophobicContact CG2-CG 4.23Å; V77-F129 HydrophobicContact CG2-CZ 3.9Å; T78-F129 PolarHBondContact N-O 2.87Å; T78-F129 VanDerWaalsContact N-O 3.1Å; V79-F129 HydrophobicContact CG2-CE2 4.15Å; I118-F129 HydrophobicContact CD1-CE1 4.44Å; I118-F129 HydrophobicContact CD1-CZ 3.83Å; I118-F129 HydrophobicContact CG1-CZ 4.4Å; P127-F129 WeakPolarHBondContact O-CD1 3.41Å; F129-A131 HydrophobicContact CD2-CB 4.24Å; F129-A131 HydrophobicContact CE2-CB 4.29Å; F129-F153 HydrophobicContact CE2-CE1 4.18Å; F129-F153 HydrophobicContact CE2-CE2 4.47Å; F129-F153 AromaticContact CE2-CZ 3.54Å; F129-F153 HydrophobicContact CE2-CZ 3.54Å; F129-F153 AromaticContact CZ-CE1 3.8Å; F129-F153 HydrophobicContact CZ-CE1 3.8Å; F129-F153 AromaticContact CZ-CZ 3.62Å; F129-F153 HydrophobicContact CZ-CZ 3.62Å; F129-F156 AromaticContact CD2-CE1 3.76Å; F129-F156 HydrophobicContact CD2-CE1 3.76Å; F129-F156 HydrophobicContact CD2-CZ 4.26Å; F129-F156 HydrophobicContact CE2-CE1 4.01Å; F129-F156 HydrophobicContact CG-CE1 4.21Å; F129-L157 HydrophobicContact CD1-CD2 4.25Å; F129-L157 HydrophobicContact CE1-CD2 3.56Å; F129-L157 HydrophobicContact CZ-CD2 3.79Å; F129-L160 HydrophobicContact CB-CD1 3.57Å; F129-L160 HydrophobicContact CD1-CD1 3.73Å; F129-L160 HydrophobicContact CD2-CD1 4.43Å; F129-L160 HydrophobicContact CG-CD1 3.66Å
130R96.3Very high88.9Confident51 Ų5134.3 Ų34.319%0.19221%0.211CC..EExtended strand (participates in β ladder)trans-115.6138.9169.9-70.5160.7170.6167.1-4.5108.6Y21 F25 E28 G69 G70 T72 T78Y21-R130 HydrophobicContact CE2-CB 3.93Å; Y21-R130 WeakPolarHBondContact CE2-O 3.41Å; F25-R130 HydrophobicContact CD1-CB 4.32Å; F25-R130 VanDerWaalsContact CD1-CD 3.45Å; F25-R130 HydrophobicContact CD1-CG 4.04Å; F25-R130 HydrophobicContact CD2-CB 4.13Å; F25-R130 HydrophobicContact CE1-CB 4.24Å; F25-R130 HydrophobicContact CE1-CG 3.93Å; F25-R130 HydrophobicContact CE2-CB 4.06Å; F25-R130 HydrophobicContact CG-CB 4.25Å; F25-R130 HydrophobicContact CG-CG 4.42Å; F25-R130 HydrophobicContact CZ-CB 4.11Å; F25-R130 HydrophobicContact CZ-CG 4.24Å; E28-R130 IonicContact OE2-CZ 3.72Å; E28-R130 IonicContact OE2-NH1 2.77Å; E28-R130 PolarHBondContact OE2-NH1 3.08Å; G69-R130 CarbonylContact C-O 3.57Å; G69-R130 WeakPolarHBondContact CA-O 3.15Å; G70-R130 PolarHBondContact N-O 3.04Å; G70-R130 PolarHBondContact O-N 3.2Å; T72-R130 HydrophobicContact CG2-CG 4.19Å; T72-R130 VanDerWaalsContact OG1-CZ 3.29Å; T72-R130 PolarHBondContact OG1-NE 2.8Å; T72-R130 PolarHBondContact OG1-NH1 2.73Å; T78-R130 CarbonylContact O-C 3.55Å; T78-R130 WeakPolarHBondContact O-CA 3.49Å
131A96.9Very high87.7Confident0 Ų031.8 Ų31.80%020%0.199CC..EExtended strand (participates in β ladder)trans-143145.5178.800000112.8V67 V68 T78 V79 V80 F129 F153 F156V67-A131 HydrophobicContact CG1-CB 4.11Å; V68-A131 CarbonylContact O-C 3.54Å; V68-A131 VanDerWaalsContact O-CA 3.31Å; V68-A131 WeakPolarHBondContact O-CA 3.45Å; T78-A131 PolarHBondContact O-N 3.47Å; V79-A131 WeakPolarHBondContact CA-O 3.44Å; V79-A131 HydrophobicContact CG2-CB 4.48Å; V80-A131 PolarHBondContact N-O 2.86Å; F129-A131 HydrophobicContact CD2-CB 4.24Å; F129-A131 HydrophobicContact CE2-CB 4.29Å; A131-F153 HydrophobicContact CB-CE2 4.27Å; A131-F156 HydrophobicContact CB-CE1 4.09Å; A131-F156 HydrophobicContact CB-CZ 4.16Å
132V96.9Very high86.7Confident0 Ų032.2 Ų32.20%021%0.209CC..EExtended strand (participates in β ladder)trans-113.8131.9167.41760000108.8A17 R20 Y21 L24 F25 V67 V68 V80A17-V132 HydrophobicContact CB-CG1 4.19Å; R20-V132 HydrophobicContact CB-CG1 4.26Å; Y21-V132 HydrophobicContact CD2-CG2 3.94Å; Y21-V132 HydrophobicContact CG-CG2 4.38Å; L24-V132 HydrophobicContact CD1-CG2 4.44Å; F25-V132 HydrophobicContact CE2-CG2 4.18Å; V67-V132 WeakPolarHBondContact CA-O 3.2Å; V68-V132 PolarHBondContact N-O 3.5Å; V68-V132 PolarHBondContact O-N 3.17Å; V80-V132 HydrophobicContact CB-CG2 4.37Å; V80-V132 CarbonylContact O-C 3.56Å; V80-V132 VanDerWaalsContact O-CA 3.26Å; V80-V132 WeakPolarHBondContact O-CA 3.41Å
133V95.9Very high86.4Confident5 Ų527.3 Ų27.33%0.0319%0.191CC..EExtended strand (participates in β ladder)trans-106.9129.3177.1-179.50000108.9T65 V66 V67 V79 V80 T81 A82 L149T65-V133 HydrophobicContact CG2-CG1 3.8Å; V66-V133 WeakPolarHBondContact O-CA 3.46Å; V67-V133 HydrophobicContact CG2-CG2 4.29Å; V79-V133 HydrophobicContact CG1-CG2 3.92Å; V80-V133 PolarHBondContact O-N 3.1Å; T81-V133 CarbonylContact C-O 3.45Å; A82-V133 WeakPolarHBondContact CB-O 3.32Å; A82-V133 PolarHBondContact N-O 3.27Å; V133-L149 HydrophobicContact CG1-CD1 3.6Å; V133-L149 HydrophobicContact CG2-CD1 4.19Å
134A93.3Very high86.2Confident5 Ų527.1 Ų27.14%0.04119%0.189CC..EExtended strand (participates in β ladder)trans-127.1142.7169.600000109.3L13 A17 T65 V66 A82L13-A134 HydrophobicContact CD2-CB 4.29Å; A17-A134 HydrophobicContact CB-CB 4.08Å; T65-A134 CarbonylContact C-O 3.5Å; T65-A134 WeakPolarHBondContact CA-O 3.12Å; V66-A134 PolarHBondContact N-O 3.39Å; V66-A134 PolarHBondContact O-N 3.26Å; A82-A134 HydrophobicContact CB-CB 4.19Å
135S90.2Very high86.4Confident31 Ų3122.9 Ų22.922%0.21716%0.162CC..EExtended strand (participates in β ladder)trans-142.9139.1-180-1680000111.4V64 T65 V137V64-S135 WeakPolarHBondContact O-CA 3.42Å; T65-S135 WeakPolarHBondContact OG1-CB 3.33Å; T65-S135 PolarHBondContact OG1-OG 3.25Å; S135-V137 PolarHBondContact OG-N 3.17Å
136S87.2Confident86.6Confident8 Ų820.6 Ų20.66%0.05614%0.135CC..  trans-100.3-2.616755.20000112.4F7 P62 F63 V64 P138F7-S136 WeakPolarHBondContact CD1-O 3.48Å; P62-S136 PolarHBondContact O-OG 3.25Å; F63-S136 WeakPolarHBondContact CA-OG 3.44Å; F63-S136 WeakPolarHBondContact CD1-O 3.37Å; V64-S136 PolarHBondContact N-OG 3.13Å; V64-S136 PolarHBondContact O-N 2.93Å; V64-S136 PolarHBondContact O-OG 2.79Å; S136-P138 WeakPolarHBondContact O-CD 3.19Å
137V84.2Confident86.7Confident5 Ų519.2 Ų19.23%0.0313%0.128CC..SBendtrans-74.6120.4178.1-170.90000108.6F63 S135 L139 L143F63-V137 HydrophobicContact CB-CG2 4.17Å; S135-V137 PolarHBondContact OG-N 3.17Å; V137-L139 PolarHBondContact O-N 2.94Å; V137-L139 VanDerWaalsContact O-N 3.12Å; V137-L143 HydrophobicContact CG1-CB 4.09Å
138P79.8Confident86.7Confident24 Ų2417 Ų1716%0.15611%0.114CC..PPolyproline II helixtrans-56.9119.6179.5-25.433.8000111.5F7 F63 S136 G140 G141 L143F7-P138 HydrophobicContact CE1-CG 4.44Å; F7-P138 HydrophobicContact CZ-CG 4.27Å; F63-P138 HydrophobicContact CE1-CG 4.27Å; S136-P138 WeakPolarHBondContact O-CD 3.19Å; P138-G140 PolarHBondContact O-N 3.43Å; P138-G141 PolarHBondContact O-N 3.48Å; P138-G141 VanDerWaalsContact O-N 3.1Å; P138-L143 HydrophobicContact CG-CD1 4.29Å
139L78.6Confident86.8Confident61 Ų6116 Ų1632%0.31911%0.108SC..THydrogen-bonded Turntrans-61.1123.9-177.7-64.6-171.7000110.1D85 A86 V137 G141 K232D85-L139 HydrophobicContact CB-CD1 3.81Å; D85-L139 HydrophobicContact CB-CG 4.41Å; A86-L139 HydrophobicContact CB-CD1 4.37Å; V137-L139 PolarHBondContact O-N 2.94Å; V137-L139 VanDerWaalsContact O-N 3.12Å; L139-G141 PolarHBondContact O-N 2.81Å; L139-K232 PolarHBondContact O-NZ 3.19Å
140G68.4Low86.8Confident48 Ų4816 Ų1650%0.49511%0.108SC..THydrogen-bonded Turntrans64.817.3179.900000114.9P138 G142 S145 K232P138-G140 PolarHBondContact O-N 3.43Å; G140-G142 PolarHBondContact O-N 2.67Å; G140-S145 PolarHBondContact N-OG 3.04Å; G140-K232 WeakPolarHBondContact O-CE 3.18Å
141G68.3Low86.8Confident1 Ų113.5 Ų13.51%0.0110%0.099CC..SBendtrans-76.87.8176.600000114.8P138 L139 L143 C355P138-G141 PolarHBondContact O-N 3.48Å; P138-G141 VanDerWaalsContact O-N 3.1Å; L139-G141 PolarHBondContact O-N 2.81Å; G141-L143 VanDerWaalsContact C-N 3.27Å; G141-L143 PolarHBondContact O-N 2.85Å; G141-C355 PolarHBondContact O-SG 2.96Å
142G74.3Confident86.8Confident27 Ų2713.5 Ų13.528%0.27810%0.099SC..SBendtrans76.910.4-17300000114.2R39 G140R39-G142 PolarHBondContact NH1-O 2.82Å; G140-G142 PolarHBondContact O-N 2.67Å
143L81.1Confident86.7Confident1 Ų113.5 Ų13.51%0.00510%0.099CC..SBendtrans-103.618.9-175.4-55.3-177.8000114.2G38 R39 Q59 V137 P138 G141 I226 C355 Y383G38-L143 CarbonylContact C-O 3.58Å; G38-L143 WeakPolarHBondContact CA-O 3.38Å; R39-L143 PolarHBondContact N-O 3.43Å; R39-L143 WeakPolarHBondContact O-CA 3.35Å; Q59-L143 VanDerWaalsContact NE2-CD1 3.26Å; V137-L143 HydrophobicContact CG1-CB 4.09Å; P138-L143 HydrophobicContact CG-CD1 4.29Å; G141-L143 VanDerWaalsContact C-N 3.27Å; G141-L143 PolarHBondContact O-N 2.85Å; L143-I226 HydrophobicContact CD2-CG2 4.2Å; L143-C355 HydrophobicContact CD2-CB 4.32Å; L143-Y383 HydrophobicContact CD1-CD2 4.24Å; L143-Y383 HydrophobicContact CD1-CE2 3.98Å
144S83.9Confident86.8Confident9 Ų913.3 Ų13.36%0.06310%0.098CC..  trans59.150.1179.4-52.60000115.7R39 S146 S148 D190R39-S144 VanDerWaalsContact CG-OG 3.23Å; R39-S144 WeakPolarHBondContact CG-OG 3.49Å; R39-S144 PolarHBondContact NE-OG 2.79Å; R39-S144 PolarHBondContact NH1-OG 3.02Å; R39-S144 PolarHBondContact NH2-OG 3.15Å; S144-S146 VanDerWaalsContact C-N 3.26Å; S144-S146 PolarHBondContact O-N 2.59Å; S144-S148 WeakPolarHBondContact O-CB 3.45Å; S144-S148 PolarHBondContact O-N 2.75Å; S144-D190 PolarHBondContact OG-OD2 3.02Å
145S86.3Confident86.9Confident23 Ų2313.3 Ų13.316%0.16110%0.097CC..Hα-helixtrans-58.5-37.717256.60000112.3G140 S148 L149G140-S145 PolarHBondContact N-OG 3.04Å; S145-S148 PolarHBondContact O-N 3.32Å; S145-S148 PolarHBondContact O-OG 3.4Å; S145-L149 PolarHBondContact O-N 3.45Å; S145-L149 VanDerWaalsContact O-N 3.08Å
146S89.6Confident87.2Confident17 Ų1711.8 Ų11.812%0.1199%0.087CC..Hα-helixtrans-62.9-56.5176.849.90000112.1S144 S148 L149 E150 E178S144-S146 VanDerWaalsContact C-N 3.26Å; S144-S146 PolarHBondContact O-N 2.59Å; S146-S148 PolarHBondContact O-N 3.05Å; S146-L149 WeakPolarHBondContact O-CA 3.31Å; S146-L149 WeakPolarHBondContact O-CB 3.39Å; S146-L149 PolarHBondContact O-N 3.04Å; S146-E150 WeakPolarHBondContact O-CG 3.5Å; S146-E150 PolarHBondContact O-N 2.84Å; S146-E178 VanDerWaalsContact CB-OE1 3.26Å; S146-E178 WeakPolarHBondContact CB-OE1 3.31Å; S146-E178 PolarHBondContact OG-OE1 2.83Å
147A90.6Very high87.6Confident0 Ų011.4 Ų11.40%08%0.084CC..Hα-helixtrans-61.6-33178.800000112.7L149 V151 D190 Q191A147-L149 VanDerWaalsContact C-N 3.33Å; A147-V151 WeakPolarHBondContact O-CB 3.49Å; A147-V151 VanDerWaalsContact O-CG2 3.26Å; A147-V151 WeakPolarHBondContact O-CG2 3.24Å; A147-V151 PolarHBondContact O-N 3.08Å; A147-D190 HydrophobicContact CB-CB 3.59Å; A147-Q191 HydrophobicContact CB-CG 4.22Å
148S91.8Very high88.2Confident0 Ų013 Ų130%09%0.091CC..Hα-helixtrans-63.1-39.9172.782.80000112A36 P37 T65 S144 S145 S146 A152A36-S148 WeakPolarHBondContact CB-O 3.4Å; P37-S148 VanDerWaalsContact C-CB 3.45Å; P37-S148 WeakPolarHBondContact O-CA 3.42Å; P37-S148 WeakPolarHBondContact O-CB 3.34Å; T65-S148 PolarHBondContact OG1-OG 2.9Å; S144-S148 WeakPolarHBondContact O-CB 3.45Å; S144-S148 PolarHBondContact O-N 2.75Å; S145-S148 PolarHBondContact O-N 3.32Å; S145-S148 PolarHBondContact O-OG 3.4Å; S146-S148 PolarHBondContact O-N 3.05Å; S148-A152 WeakPolarHBondContact O-CB 3.22Å; S148-A152 PolarHBondContact O-N 2.79Å
149L94.5Very high88.9Confident19 Ų1915.2 Ų15.210%0.09910%0.1CC..Hα-helixtrans-67.9-48.6176.6172.758.6000110.8T65 Y113 V114 V133 S145 S146 A147 V151 A152 F153T65-L149 HydrophobicContact CG2-CB 4.38Å; T65-L149 HydrophobicContact CG2-CD1 4.06Å; Y113-L149 HydrophobicContact CD2-CD2 4.17Å; Y113-L149 HydrophobicContact CG-CD2 4.37Å; V114-L149 HydrophobicContact CG2-CD1 4.27Å; V114-L149 HydrophobicContact CG2-CD2 4.37Å; V114-L149 HydrophobicContact CG2-CG 4.44Å; V133-L149 HydrophobicContact CG1-CD1 3.6Å; V133-L149 HydrophobicContact CG2-CD1 4.19Å; S145-L149 PolarHBondContact O-N 3.45Å; S145-L149 VanDerWaalsContact O-N 3.08Å; S146-L149 WeakPolarHBondContact O-CA 3.31Å; S146-L149 WeakPolarHBondContact O-CB 3.39Å; S146-L149 PolarHBondContact O-N 3.04Å; A147-L149 VanDerWaalsContact C-N 3.33Å; L149-V151 PolarHBondContact O-N 3.45Å; L149-A152 PolarHBondContact O-N 3.42Å; L149-F153 VanDerWaalsContact O-CB 3.24Å; L149-F153 WeakPolarHBondContact O-CB 2.77Å; L149-F153 PolarHBondContact O-N 3.45Å
150E95.8Very high89.6Confident0 Ų013.8 Ų13.80%09%0.092CC..Hα-helixtrans-58-50.7-179.3-68167.6174.600111.5Y113 V117 S146 F153 Y154 C174 E178 Q191Y113-E150 HydrophobicContact CD1-CG 4.29Å; Y113-E150 VanDerWaalsContact CD1-OE1 3.28Å; Y113-E150 WeakPolarHBondContact CD1-OE1 3.33Å; V117-E150 HydrophobicContact CG2-CB 3.76Å; V117-E150 HydrophobicContact CG2-CG 4Å; S146-E150 WeakPolarHBondContact O-CG 3.5Å; S146-E150 PolarHBondContact O-N 2.84Å; E150-F153 PolarHBondContact O-N 3.43Å; E150-Y154 WeakPolarHBondContact O-CB 3.45Å; E150-Y154 PolarHBondContact O-N 2.76Å; E150-C174 HydrophobicContact CB-CB 3.91Å; E150-E178 WeakPolarHBondContact OE1-CB 3.34Å; E150-Q191 PolarHBondContact OE2-NE2 3.08Å
151V95.6Very high90.8Very high0 Ų015.6 Ų15.60%09%0.086CC..Hα-helixtrans-70.9-37.2-177175.90000111.5A36 A147 L149 F153 T155 K170 C174 Q191 V195 S391A36-V151 HydrophobicContact CB-CB 3.88Å; A36-V151 HydrophobicContact CB-CG1 3.76Å; A147-V151 WeakPolarHBondContact O-CB 3.49Å; A147-V151 VanDerWaalsContact O-CG2 3.26Å; A147-V151 WeakPolarHBondContact O-CG2 3.24Å; A147-V151 PolarHBondContact O-N 3.08Å; L149-V151 PolarHBondContact O-N 3.45Å; V151-F153 VanDerWaalsContact C-N 3.32Å; V151-T155 WeakPolarHBondContact O-CB 3.48Å; V151-T155 PolarHBondContact O-N 3.46Å; V151-T155 PolarHBondContact O-OG1 3.04Å; V151-K170 HydrophobicContact CG1-CD 4.43Å; V151-C174 HydrophobicContact CG2-CB 4.41Å; V151-Q191 HydrophobicContact CG2-CB 4.4Å; V151-V195 HydrophobicContact CB-CG2 4.48Å; V151-V195 HydrophobicContact CG1-CG2 3.57Å; V151-V195 HydrophobicContact CG2-CG2 4Å; V151-S391 VanDerWaalsContact CG1-CB 3.44Å
152A95.6Very high92Very high0 Ų020.1 Ų20.10%012%0.115CC..Hα-helixtrans-63.2-43.5174.800000110.4A36 T65 V67 S148 L149 T155 F156A36-A152 HydrophobicContact CB-CB 3.72Å; A36-A152 VanDerWaalsContact CB-N 3.29Å; T65-A152 HydrophobicContact CG2-CB 4.15Å; V67-A152 HydrophobicContact CG2-CB 3.87Å; S148-A152 WeakPolarHBondContact O-CB 3.22Å; S148-A152 PolarHBondContact O-N 2.79Å; L149-A152 PolarHBondContact O-N 3.42Å; A152-T155 PolarHBondContact O-N 3.1Å; A152-F156 PolarHBondContact O-N 3.29Å
153F96.6Very high92.8Very high0 Ų020.2 Ų20.20%011%0.109CC..Hα-helixtrans-68.9-43.3-179.6-154.3-88.9000112.1V67 V79 V114 V117 I118 F129 A131 L149 E150 V151 T155 F156 L157V67-F153 HydrophobicContact CG1-CD2 4Å; V67-F153 HydrophobicContact CG1-CE2 4.25Å; V67-F153 HydrophobicContact CG2-CD2 4.14Å; V79-F153 HydrophobicContact CG1-CE2 4.18Å; V79-F153 HydrophobicContact CG2-CE2 4.21Å; V79-F153 HydrophobicContact CG2-CZ 4.04Å; V114-F153 HydrophobicContact CG1-CD1 4.17Å; V114-F153 HydrophobicContact CG1-CD2 4.24Å; V114-F153 HydrophobicContact CG1-CE1 3.64Å; V114-F153 HydrophobicContact CG1-CE2 3.71Å; V114-F153 HydrophobicContact CG1-CG 4.44Å; V114-F153 HydrophobicContact CG1-CZ 3.36Å; V114-F153 HydrophobicContact CG2-CD2 4.06Å; V114-F153 HydrophobicContact CG2-CE2 4.15Å; V114-F153 HydrophobicContact CG2-CG 4.43Å; V117-F153 HydrophobicContact CG1-CD1 4.14Å; I118-F153 HydrophobicContact CD1-CE1 3.9Å; I118-F153 HydrophobicContact CD1-CZ 4.36Å; I118-F153 HydrophobicContact CG1-CE1 3.83Å; F129-F153 HydrophobicContact CE2-CE1 4.18Å; F129-F153 HydrophobicContact CE2-CE2 4.47Å; F129-F153 AromaticContact CE2-CZ 3.54Å; F129-F153 HydrophobicContact CE2-CZ 3.54Å; F129-F153 AromaticContact CZ-CE1 3.8Å; F129-F153 HydrophobicContact CZ-CE1 3.8Å; F129-F153 AromaticContact CZ-CZ 3.62Å; F129-F153 HydrophobicContact CZ-CZ 3.62Å; A131-F153 HydrophobicContact CB-CE2 4.27Å; L149-F153 VanDerWaalsContact O-CB 3.24Å; L149-F153 WeakPolarHBondContact O-CB 2.77Å; L149-F153 PolarHBondContact O-N 3.45Å; E150-F153 PolarHBondContact O-N 3.43Å; V151-F153 VanDerWaalsContact C-N 3.32Å; F153-T155 VanDerWaalsContact C-N 3.28Å; F153-T155 PolarHBondContact O-N 2.88Å; F153-F156 WeakPolarHBondContact O-CA 3.36Å; F153-F156 WeakPolarHBondContact O-CB 3.41Å; F153-F156 PolarHBondContact O-N 2.95Å; F153-F156 VanDerWaalsContact O-N 3.11Å; F153-L157 HydrophobicContact CD1-CD1 4.04Å; F153-L157 HydrophobicContact CD1-CD2 4.38Å; F153-L157 HydrophobicContact CD1-CG 4Å; F153-L157 HydrophobicContact CE1-CD1 4.15Å; F153-L157 HydrophobicContact CE1-CD2 3.92Å; F153-L157 HydrophobicContact CE1-CG 4.05Å; F153-L157 WeakPolarHBondContact O-CG 3.42Å; F153-L157 PolarHBondContact O-N 2.87Å
154Y97.1Very high93.2Very high0 Ų025 Ų250%014%0.135CC..Hα-helixtrans-58.7-43.1173.8-165-64.9000110.7V117 Y121 R122 E150 F156 L157 Q158 D163 K170 A173V117-Y154 HydrophobicContact CG1-CD2 4.07Å; V117-Y154 HydrophobicContact CG1-CG 4.37Å; Y121-Y154 HydrophobicContact CD2-CD1 4.33Å; Y121-Y154 HydrophobicContact CD2-CD2 4.01Å; Y121-Y154 HydrophobicContact CD2-CE1 4.09Å; Y121-Y154 AromaticContact CD2-CE2 3.7Å; Y121-Y154 HydrophobicContact CD2-CE2 3.7Å; Y121-Y154 HydrophobicContact CD2-CG 4.32Å; Y121-Y154 AromaticContact CD2-CZ 3.75Å; Y121-Y154 AromaticContact CE2-CD1 3.85Å; Y121-Y154 HydrophobicContact CE2-CD1 3.85Å; Y121-Y154 HydrophobicContact CE2-CD2 4.36Å; Y121-Y154 AromaticContact CE2-CE1 3.56Å; Y121-Y154 HydrophobicContact CE2-CE1 3.56Å; Y121-Y154 HydrophobicContact CE2-CE2 4.06Å; Y121-Y154 HydrophobicContact CE2-CG 4.26Å; Y121-Y154 AromaticContact CE2-CZ 3.66Å; R122-Y154 WeakPolarHBondContact CD-OH 3.43Å; R122-Y154 WeakPolarHBondContact CG-OH 3.2Å; E150-Y154 WeakPolarHBondContact O-CB 3.45Å; E150-Y154 PolarHBondContact O-N 2.76Å; Y154-F156 VanDerWaalsContact C-N 3.29Å; Y154-F156 PolarHBondContact O-N 2.74Å; Y154-L157 PolarHBondContact O-N 2.7Å; Y154-Q158 HydrophobicContact CD1-CG 3.89Å; Y154-Q158 HydrophobicContact CE1-CG 3.79Å; Y154-Q158 PolarHBondContact O-N 3.28Å; Y154-D163 VanDerWaalsContact CE1-OD2 3.31Å; Y154-D163 WeakPolarHBondContact CE1-OD2 3.27Å; Y154-D163 PolarHBondContact OH-OD2 3.2Å; Y154-K170 HydrophobicContact CD1-CB 4.09Å; Y154-K170 HydrophobicContact CD1-CD 3.99Å; Y154-K170 HydrophobicContact CD1-CG 3.63Å; Y154-K170 HydrophobicContact CD2-CG 4.22Å; Y154-K170 HydrophobicContact CE1-CB 3.81Å; Y154-K170 HydrophobicContact CE1-CD 4.47Å; Y154-K170 HydrophobicContact CE1-CG 3.91Å; Y154-K170 HydrophobicContact CE2-CB 4.45Å; Y154-K170 HydrophobicContact CE2-CG 4.49Å; Y154-K170 HydrophobicContact CG-CD 4.4Å; Y154-K170 HydrophobicContact CG-CG 3.79Å; Y154-A173 HydrophobicContact CD2-CB 4.25Å; Y154-A173 HydrophobicContact CE2-CB 3.61Å
155T96.1Very high93.2Very high5 Ų527 Ų273%0.03116%0.157CC..Hα-helixtrans-66.1-31.5178.1-54.30000112.3A34 V151 A152 F153 K170 T393A34-T155 HydrophobicContact CB-CG2 3.9Å; V151-T155 WeakPolarHBondContact O-CB 3.48Å; V151-T155 PolarHBondContact O-N 3.46Å; V151-T155 PolarHBondContact O-OG1 3.04Å; A152-T155 PolarHBondContact O-N 3.1Å; F153-T155 VanDerWaalsContact C-N 3.28Å; F153-T155 PolarHBondContact O-N 2.88Å; T155-K170 PolarHBondContact OG1-NZ 2.6Å; T155-T393 HydrophobicContact CG2-CG2 4.39Å
156F96.7Very high93.5Very high0 Ų030 Ų300%017%0.168CC..Hα-helixtrans-66.6-46.3169.2167.1-100.1000111.7A32 A34 V67 G69 F129 A131 A152 F153 Y154 Q158 Q159 L160A32-F156 HydrophobicContact CB-CD2 3.87Å; A32-F156 HydrophobicContact CB-CE2 3.79Å; A34-F156 HydrophobicContact CB-CB 4.04Å; V67-F156 HydrophobicContact CB-CB 4.13Å; V67-F156 HydrophobicContact CB-CG 4.41Å; V67-F156 HydrophobicContact CG1-CB 3.9Å; V67-F156 HydrophobicContact CG1-CD1 3.98Å; V67-F156 HydrophobicContact CG1-CD2 4.03Å; V67-F156 HydrophobicContact CG1-CG 3.69Å; G69-F156 VanDerWaalsContact CA-CE2 3.49Å; F129-F156 AromaticContact CD2-CE1 3.76Å; F129-F156 HydrophobicContact CD2-CE1 3.76Å; F129-F156 HydrophobicContact CD2-CZ 4.26Å; F129-F156 HydrophobicContact CE2-CE1 4.01Å; F129-F156 HydrophobicContact CG-CE1 4.21Å; A131-F156 HydrophobicContact CB-CE1 4.09Å; A131-F156 HydrophobicContact CB-CZ 4.16Å; A152-F156 PolarHBondContact O-N 3.29Å; F153-F156 WeakPolarHBondContact O-CA 3.36Å; F153-F156 WeakPolarHBondContact O-CB 3.41Å; F153-F156 PolarHBondContact O-N 2.95Å; F153-F156 VanDerWaalsContact O-N 3.11Å; Y154-F156 VanDerWaalsContact C-N 3.29Å; Y154-F156 PolarHBondContact O-N 2.74Å; F156-Q158 VanDerWaalsContact C-N 3.27Å; F156-Q158 PolarHBondContact O-N 2.85Å; F156-Q159 WeakPolarHBondContact O-CB 3.38Å; F156-Q159 PolarHBondContact O-N 2.89Å; F156-L160 HydrophobicContact CD1-CD1 4.31Å; F156-L160 HydrophobicContact CE1-CD1 3.54Å; F156-L160 HydrophobicContact CE1-CG 4.21Å; F156-L160 HydrophobicContact CE2-CD1 4.48Å; F156-L160 HydrophobicContact CE2-CD2 4.37Å; F156-L160 HydrophobicContact CE2-CG 4.46Å; F156-L160 HydrophobicContact CZ-CD1 3.65Å; F156-L160 HydrophobicContact CZ-CD2 4.19Å; F156-L160 HydrophobicContact CZ-CG 4.08Å; F156-L160 PolarHBondContact O-N 3.06Å
157L95.3Very high93.6Very high0 Ų034.9 Ų34.90%019%0.188CC..Hα-helixtrans-60-36.2176.9-64.8-179000112.5V117 I118 Y121 L126 F129 F153 Y154 Q159 L160 K161V117-L157 HydrophobicContact CG1-CD1 3.95Å; I118-L157 HydrophobicContact CG1-CD1 4.06Å; Y121-L157 HydrophobicContact CD2-CB 4.03Å; Y121-L157 HydrophobicContact CD2-CD1 3.83Å; Y121-L157 HydrophobicContact CE1-CB 4.31Å; Y121-L157 HydrophobicContact CE2-CB 3.65Å; Y121-L157 HydrophobicContact CE2-CD1 4.33Å; Y121-L157 HydrophobicContact CG-CD1 4.03Å; Y121-L157 PolarHBondContact OH-O 3.46Å; L126-L157 HydrophobicContact CD1-CD1 4.18Å; L126-L157 HydrophobicContact CD1-CD2 4.4Å; L126-L157 HydrophobicContact CD2-CB 4.37Å; L126-L157 HydrophobicContact CD2-CD2 4.17Å; F129-L157 HydrophobicContact CD1-CD2 4.25Å; F129-L157 HydrophobicContact CE1-CD2 3.56Å; F129-L157 HydrophobicContact CZ-CD2 3.79Å; F153-L157 HydrophobicContact CD1-CD1 4.04Å; F153-L157 HydrophobicContact CD1-CD2 4.38Å; F153-L157 HydrophobicContact CD1-CG 4Å; F153-L157 HydrophobicContact CE1-CD1 4.15Å; F153-L157 HydrophobicContact CE1-CD2 3.92Å; F153-L157 HydrophobicContact CE1-CG 4.05Å; F153-L157 WeakPolarHBondContact O-CG 3.42Å; F153-L157 PolarHBondContact O-N 2.87Å; Y154-L157 PolarHBondContact O-N 2.7Å; L157-Q159 PolarHBondContact O-N 2.94Å; L157-L160 HydrophobicContact CD2-CD1 4.43Å; L157-L160 PolarHBondContact O-N 3.48Å; L157-L160 VanDerWaalsContact O-N 3.08Å; L157-K161 PolarHBondContact O-N 3.31Å
158Q95.5Very high93.7Very high39 Ų3937.3 Ų37.318%0.18220%0.2CC..Hα-helixtrans-60.6-29.7174.1-78.1-175.8-45.100113.6Y121 Y154 F156 K161 P162 D163Y121-Q158 HydrophobicContact CE2-CG 4.31Å; Y121-Q158 WeakPolarHBondContact OH-CA 3.43Å; Y121-Q158 WeakPolarHBondContact OH-CG 3.23Å; Y121-Q158 PolarHBondContact OH-N 2.95Å; Y154-Q158 HydrophobicContact CD1-CG 3.89Å; Y154-Q158 HydrophobicContact CE1-CG 3.79Å; Y154-Q158 PolarHBondContact O-N 3.28Å; F156-Q158 VanDerWaalsContact C-N 3.27Å; F156-Q158 PolarHBondContact O-N 2.85Å; Q158-K161 CarbonylContact O-C 3.53Å; Q158-P162 WeakPolarHBondContact O-CA 3.27Å; Q158-D163 PolarHBondContact NE2-OD1 2.85Å; Q158-D163 PolarHBondContact NE2-OD2 3.29Å
159Q94.7Very high93.8Very high70 Ų7037.7 Ų37.733%0.32720%0.204SC..Hα-helixtrans-75.7-33.2174.4-70.6176.78000112.1A32 A33 F156 L157 T393A32-Q159 HydrophobicContact CB-CB 3.75Å; A32-Q159 HydrophobicContact CB-CG 4.45Å; A33-Q159 PolarHBondContact O-NE2 3.02Å; F156-Q159 WeakPolarHBondContact O-CB 3.38Å; F156-Q159 PolarHBondContact O-N 2.89Å; L157-Q159 PolarHBondContact O-N 2.94Å; Q159-T393 VanDerWaalsContact CD-CG2 3.44Å; Q159-T393 HydrophobicContact CG-CG2 3.72Å
160L92.8Very high93.8Very high31 Ų3137.4 Ų37.416%0.16220%0.202CC..Hα-helixtrans-75.1-40.9176.4-58.8-173.4000112.1A32 P127 F129 F156 L157A32-L160 HydrophobicContact CB-CD2 4.35Å; P127-L160 HydrophobicContact CG-CB 4.21Å; F129-L160 HydrophobicContact CB-CD1 3.57Å; F129-L160 HydrophobicContact CD1-CD1 3.73Å; F129-L160 HydrophobicContact CD2-CD1 4.43Å; F129-L160 HydrophobicContact CG-CD1 3.66Å; F156-L160 HydrophobicContact CD1-CD1 4.31Å; F156-L160 HydrophobicContact CE1-CD1 3.54Å; F156-L160 HydrophobicContact CE1-CG 4.21Å; F156-L160 HydrophobicContact CE2-CD1 4.48Å; F156-L160 HydrophobicContact CE2-CD2 4.37Å; F156-L160 HydrophobicContact CE2-CG 4.46Å; F156-L160 HydrophobicContact CZ-CD1 3.65Å; F156-L160 HydrophobicContact CZ-CD2 4.19Å; F156-L160 HydrophobicContact CZ-CG 4.08Å; F156-L160 PolarHBondContact O-N 3.06Å; L157-L160 HydrophobicContact CD2-CD1 4.43Å; L157-L160 PolarHBondContact O-N 3.48Å; L157-L160 VanDerWaalsContact O-N 3.08Å
161K93.6Very high93.6Very high86 Ų8637.4 Ų37.437%0.37420%0.202SC..SBendtrans-149.199.2-177.9-175.568.7175.9-172.10109.6Y121 A123 L126 L157 Q158 D163Y121-K161 PolarHBondContact OH-O 3.49Å; A123-K161 HydrophobicContact CB-CG 4.05Å; L126-K161 HydrophobicContact CD2-CB 3.92Å; L157-K161 PolarHBondContact O-N 3.31Å; Q158-K161 CarbonylContact O-C 3.53Å; K161-D163 PolarHBondContact O-N 3.44Å
162P93.5Very high93.6Very high96 Ų9640.8 Ų40.862%0.62322%0.22SC*.  trans-57.7137.7179.2-26.534.9000112.8Q158Q158-P162 WeakPolarHBondContact O-CA 3.27Å
163D91.9Very high93.5Very high28 Ų2841.2 Ų41.215%0.1522%0.223CC..  trans-94.6-158.4167.968.7-6.2000110.5R122 A123 Y154 Q158 K161 G165R122-D163 HydrophobicContact CB-CB 4.36Å; A123-D163 HydrophobicContact CB-CB 4.04Å; Y154-D163 VanDerWaalsContact CE1-OD2 3.31Å; Y154-D163 WeakPolarHBondContact CE1-OD2 3.27Å; Y154-D163 PolarHBondContact OH-OD2 3.2Å; Q158-D163 PolarHBondContact NE2-OD1 2.85Å; Q158-D163 PolarHBondContact NE2-OD2 3.29Å; K161-D163 PolarHBondContact O-N 3.44Å; D163-G165 PolarHBondContact O-N 3.31Å; D163-G165 WeakPolarHBondContact OD1-CA 3.44Å; D163-G165 PolarHBondContact OD1-N 3.47Å
164N88.9Confident93.4Very high102 Ų10241.2 Ų41.255%0.54522%0.223SC..  trans-73.90.417772.6-7.8000114.1R122 E166R122-N164 PolarHBondContact NH1-ND2 3.31Å; R122-N164 PolarHBondContact NH1-OD1 3.16Å; R122-N164 PolarHBondContact NH2-ND2 2.86Å; N164-E166 PolarHBondContact ND2-OE2 3.45Å; N164-E166 PolarHBondContact O-N 3.11Å; N164-E166 WeakPolarHBondContact OD1-CB 3.35Å; N164-E166 PolarHBondContact OD1-N 2.9Å; N164-E166 VanDerWaalsContact OD1-N 3.16Å
165G85.5Confident93.2Very high50 Ų5042.9 Ų42.952%0.51523%0.231SC..  trans72.6317700000115.3D163 K167D163-G165 PolarHBondContact O-N 3.31Å; D163-G165 WeakPolarHBondContact OD1-CA 3.44Å; D163-G165 PolarHBondContact OD1-N 3.47Å; G165-K167 PolarHBondContact O-N 2.76Å
166E92.4Very high93.1Very high86 Ų8646.5 Ų46.540%0.40225%0.247SC..  trans-75.2112.6-176.2-179.5-169.2-16900111.1R122 N164 L168 G169 K170R122-E166 IonicContact CZ-OE2 3.27Å; R122-E166 VanDerWaalsContact CZ-OE2 3.27Å; R122-E166 IonicContact NH1-OE2 2.81Å; R122-E166 PolarHBondContact NH1-OE2 3.36Å; R122-E166 IonicContact NH2-OE2 2.78Å; R122-E166 PolarHBondContact NH2-OE2 3.45Å; N164-E166 PolarHBondContact ND2-OE2 3.45Å; N164-E166 PolarHBondContact O-N 3.11Å; N164-E166 WeakPolarHBondContact OD1-CB 3.35Å; N164-E166 PolarHBondContact OD1-N 2.9Å; N164-E166 VanDerWaalsContact OD1-N 3.16Å; E166-L168 VanDerWaalsContact C-N 3.32Å; E166-L168 PolarHBondContact O-N 3.04Å; E166-G169 PolarHBondContact O-N 3.27Å; E166-K170 PolarHBondContact O-N 3.2Å
167K91.4Very high92.9Very high121 Ų12146.5 Ų46.553%0.52625%0.247SC..Hα-helixtrans-58.2-40.1-177.5-68-173.9178.9-171.70113.4G165 K170 V171 V195 F196G165-K167 PolarHBondContact O-N 2.76Å; K167-K170 WeakPolarHBondContact O-CB 3.4Å; K167-K170 PolarHBondContact O-N 3.26Å; K167-V171 WeakPolarHBondContact O-CG2 3.4Å; K167-V171 PolarHBondContact O-N 3.11Å; K167-V171 VanDerWaalsContact O-N 3.14Å; K167-V195 HydrophobicContact CB-CG1 3.85Å; K167-V195 HydrophobicContact CD-CG1 4.3Å; K167-V195 HydrophobicContact CG-CG1 4.16Å; K167-F196 HydrophobicContact CB-CE1 3.85Å; K167-F196 HydrophobicContact CB-CE2 3.85Å; K167-F196 HydrophobicContact CB-CZ 3.36Å; K167-F196 HydrophobicContact CD-CD1 4.24Å; K167-F196 HydrophobicContact CD-CE1 3.91Å; K167-F196 HydrophobicContact CD-CZ 4.28Å; K167-F196 HydrophobicContact CG-CZ 4.46Å
168L92Very high92.7Very high51 Ų5146.9 Ų46.927%0.26725%0.249SC..Hα-helixtrans-65.9-41-179.1-17758.7000111.6E166 K170 V171 L172 F192 L210E166-L168 VanDerWaalsContact C-N 3.32Å; E166-L168 PolarHBondContact O-N 3.04Å; L168-K170 VanDerWaalsContact C-N 3.3Å; L168-K170 PolarHBondContact O-N 3.44Å; L168-V171 WeakPolarHBondContact O-CB 3.18Å; L168-V171 PolarHBondContact O-N 3.22Å; L168-V171 VanDerWaalsContact O-N 3.1Å; L168-L172 HydrophobicContact CD1-CG 4.45Å; L168-L172 HydrophobicContact CG-CD1 4.19Å; L168-L172 HydrophobicContact CG-CG 4.49Å; L168-L172 WeakPolarHBondContact O-CG 3.08Å; L168-L172 PolarHBondContact O-N 2.77Å; L168-F192 HydrophobicContact CD1-CE2 3.92Å; L168-L210 HydrophobicContact CD1-CB 4.39Å; L168-L210 HydrophobicContact CD1-CD1 4.11Å; L168-L210 HydrophobicContact CD2-CD1 4.34Å
169G93.2Very high92.4Very high7 Ų747.8 Ų47.87%0.07225%0.253CS..Hα-helixtrans-68.1-29.1176.500000113.5E166 A173E166-G169 PolarHBondContact O-N 3.27Å; G169-A173 VanDerWaalsContact O-CB 3.27Å; G169-A173 WeakPolarHBondContact O-CB 3.39Å; G169-A173 PolarHBondContact O-N 3.36Å
170K94.6Very high92.3Very high13 Ų1347.2 Ų47.26%0.05726%0.255CS..Hα-helixtrans-59.5-47.1166.9168.7-174.5-67.4-1710111.3V151 Y154 T155 E166 K167 L168 A173 C174 V195V151-K170 HydrophobicContact CG1-CD 4.43Å; Y154-K170 HydrophobicContact CD1-CB 4.09Å; Y154-K170 HydrophobicContact CD1-CD 3.99Å; Y154-K170 HydrophobicContact CD1-CG 3.63Å; Y154-K170 HydrophobicContact CD2-CG 4.22Å; Y154-K170 HydrophobicContact CE1-CB 3.81Å; Y154-K170 HydrophobicContact CE1-CD 4.47Å; Y154-K170 HydrophobicContact CE1-CG 3.91Å; Y154-K170 HydrophobicContact CE2-CB 4.45Å; Y154-K170 HydrophobicContact CE2-CG 4.49Å; Y154-K170 HydrophobicContact CG-CD 4.4Å; Y154-K170 HydrophobicContact CG-CG 3.79Å; T155-K170 PolarHBondContact OG1-NZ 2.6Å; E166-K170 PolarHBondContact O-N 3.2Å; K167-K170 WeakPolarHBondContact O-CB 3.4Å; K167-K170 PolarHBondContact O-N 3.26Å; L168-K170 VanDerWaalsContact C-N 3.3Å; L168-K170 PolarHBondContact O-N 3.44Å; K170-A173 PolarHBondContact O-N 2.78Å; K170-C174 PolarHBondContact O-N 3.37Å; K170-C174 VanDerWaalsContact O-N 3.07Å; K170-C174 PolarHBondContact O-SG 2.84Å; K170-V195 HydrophobicContact CD-CG1 4.29Å; K170-V195 HydrophobicContact CD-CG2 3.64Å; K170-V195 HydrophobicContact CG-CG2 4.06Å
171V93.6Very high92.2Very high0 Ų046.3 Ų46.30%025%0.249CC..Hα-helixtrans-59.9-50179.4171.20000110.8K167 L168 A173 C174 Q175 I188 Q191 F192 V195 F196K167-V171 WeakPolarHBondContact O-CG2 3.4Å; K167-V171 PolarHBondContact O-N 3.11Å; K167-V171 VanDerWaalsContact O-N 3.14Å; L168-V171 WeakPolarHBondContact O-CB 3.18Å; L168-V171 PolarHBondContact O-N 3.22Å; L168-V171 VanDerWaalsContact O-N 3.1Å; V171-A173 PolarHBondContact O-N 2.74Å; V171-C174 PolarHBondContact O-N 2.96Å; V171-Q175 PolarHBondContact O-N 3.25Å; V171-I188 HydrophobicContact CG1-CD1 3.79Å; V171-I188 HydrophobicContact CG1-CG1 3.48Å; V171-I188 VanDerWaalsContact CG1-CG1 3.48Å; V171-Q191 HydrophobicContact CB-CB 4.5Å; V171-Q191 HydrophobicContact CG1-CB 3.86Å; V171-F192 HydrophobicContact CG1-CB 4.04Å; V171-F192 HydrophobicContact CG1-CD2 4.02Å; V171-F192 HydrophobicContact CG1-CG 4.38Å; V171-V195 HydrophobicContact CG2-CB 3.72Å; V171-V195 HydrophobicContact CG2-CG1 4.1Å; V171-V195 HydrophobicContact CG2-CG2 3.68Å; V171-F196 HydrophobicContact CG2-CD2 4.14Å; V171-F196 HydrophobicContact CG2-CE2 3.84Å
172L93.7Very high91.8Very high72 Ų7243.7 Ų43.738%0.37724%0.244SC..Hα-helixtrans-63.9-38.6-179.5-66.3172.6000112.3L168 Q175 Q176 I188L168-L172 HydrophobicContact CD1-CG 4.45Å; L168-L172 HydrophobicContact CG-CD1 4.19Å; L168-L172 HydrophobicContact CG-CG 4.49Å; L168-L172 WeakPolarHBondContact O-CG 3.08Å; L168-L172 PolarHBondContact O-N 2.77Å; L172-Q175 PolarHBondContact O-N 3.1Å; L172-Q176 WeakPolarHBondContact O-CB 3.22Å; L172-Q176 PolarHBondContact O-N 3.36Å; L172-I188 HydrophobicContact CD2-CD1 3.78Å
173A94.4Very high91.4Very high8 Ų841.9 Ų41.97%0.06624%0.243CC..Hα-helixtrans-64.6-40.9176.200000112.5H120 Y154 G169 K170 V171 Q176 A177H120-A173 HydrophobicContact CB-CB 4.29Å; H120-A173 WeakPolarHBondContact O-CB 3.17Å; Y154-A173 HydrophobicContact CD2-CB 4.25Å; Y154-A173 HydrophobicContact CE2-CB 3.61Å; G169-A173 VanDerWaalsContact O-CB 3.27Å; G169-A173 WeakPolarHBondContact O-CB 3.39Å; G169-A173 PolarHBondContact O-N 3.36Å; K170-A173 PolarHBondContact O-N 2.78Å; V171-A173 PolarHBondContact O-N 2.74Å; A173-Q176 PolarHBondContact O-N 3.47Å; A173-A177 PolarHBondContact O-N 2.89Å
174C94.9Very high90.9Very high0 Ų043.4 Ų43.40%025%0.253CS..Hα-helixtrans-66.3-43.5175.6-63.70000111.1E150 V151 K170 V171 Q176 A177 E178 Q191E150-C174 HydrophobicContact CB-CB 3.91Å; V151-C174 HydrophobicContact CG2-CB 4.41Å; K170-C174 PolarHBondContact O-N 3.37Å; K170-C174 VanDerWaalsContact O-N 3.07Å; K170-C174 PolarHBondContact O-SG 2.84Å; V171-C174 PolarHBondContact O-N 2.96Å; C174-Q176 VanDerWaalsContact C-N 3.31Å; C174-Q176 PolarHBondContact O-N 3.32Å; C174-A177 VanDerWaalsContact O-CB 3.27Å; C174-A177 WeakPolarHBondContact O-CB 3.5Å; C174-A177 PolarHBondContact O-N 3.31Å; C174-A177 VanDerWaalsContact O-N 3.11Å; C174-E178 PolarHBondContact O-N 3.39Å; C174-E178 VanDerWaalsContact O-N 3.07Å; C174-Q191 HydrophobicContact CB-CB 4.27Å; C174-Q191 HydrophobicContact CB-CG 3.53Å
175Q93.3Very high90.4Very high35 Ų3540.6 Ų40.616%0.16424%0.24CC..Hα-helixtrans-59.1-43.8174.8-175-172.832.300111.6V171 L172 A177 E178 H179 C186 G187V171-Q175 PolarHBondContact O-N 3.25Å; L172-Q175 PolarHBondContact O-N 3.1Å; Q175-A177 VanDerWaalsContact C-N 3.27Å; Q175-A177 PolarHBondContact O-N 2.99Å; Q175-E178 PolarHBondContact O-N 3.41Å; Q175-E178 VanDerWaalsContact O-N 3.16Å; Q175-H179 PolarHBondContact O-CD2 2.56Å; Q175-H179 VanDerWaalsContact O-CD2 3.31Å; Q175-H179 PolarHBondContact O-N 3.26Å; Q175-C186 PolarHBondContact NE2-O 3.2Å; Q175-G187 VanDerWaalsContact NE2-C 3.31Å; Q175-G187 PolarHBondContact NE2-O 3.18Å
176Q92.8Very high90.2Very high82 Ų8238.9 Ų38.938%0.38322%0.22SC..Hα-helixtrans-63.8-34.6177.7-16965.129.300111.9H120 L172 A173 C174 H179 T180H120-Q176 VanDerWaalsContact CE1-CG 3.41Å; H120-Q176 WeakPolarHBondContact CE1-CG 3.44Å; L172-Q176 WeakPolarHBondContact O-CB 3.22Å; L172-Q176 PolarHBondContact O-N 3.36Å; A173-Q176 PolarHBondContact O-N 3.47Å; C174-Q176 VanDerWaalsContact C-N 3.31Å; C174-Q176 PolarHBondContact O-N 3.32Å; Q176-H179 PolarHBondContact O-N 3.41Å; Q176-T180 HydrophobicContact CG-CG2 4.3Å; Q176-T180 WeakPolarHBondContact O-CB 3.31Å; Q176-T180 WeakPolarHBondContact O-CG2 3.45Å; Q176-T180 PolarHBondContact O-N 2.97Å; Q176-T180 PolarHBondContact O-OG1 2.95Å
177A93.3Very high89.7Confident0 Ų035.1 Ų35.10%020%0.204CC..Hα-helixtrans-60.9-46.3172.200000111.4V117 A173 C174 Q175 H179 T180 H181 A182V117-A177 HydrophobicContact CG2-CB 4.04Å; A173-A177 PolarHBondContact O-N 2.89Å; C174-A177 VanDerWaalsContact O-CB 3.27Å; C174-A177 WeakPolarHBondContact O-CB 3.5Å; C174-A177 PolarHBondContact O-N 3.31Å; C174-A177 VanDerWaalsContact O-N 3.11Å; Q175-A177 VanDerWaalsContact C-N 3.27Å; Q175-A177 PolarHBondContact O-N 2.99Å; A177-H179 VanDerWaalsContact C-N 3.33Å; A177-H179 PolarHBondContact O-N 3.32Å; A177-T180 PolarHBondContact O-N 3.09Å; A177-H181 WeakPolarHBondContact O-CA 3.39Å; A177-H181 WeakPolarHBondContact O-CB 3.5Å; A177-H181 PolarHBondContact O-N 2.91Å; A177-A182 PolarHBondContact O-N 3.49Å
178E90.9Very high89.4Confident7 Ų729.8 Ų29.83%0.03318%0.181CC..Iπ-helixtrans-62.2-41.1178.4-161.5143.4-153.700111.5Y113 S146 E150 C174 Q175 A182 G183 V184 C186 Q191Y113-E178 HydrophobicContact CE1-CG 4.42Å; S146-E178 VanDerWaalsContact CB-OE1 3.26Å; S146-E178 WeakPolarHBondContact CB-OE1 3.31Å; S146-E178 PolarHBondContact OG-OE1 2.83Å; E150-E178 WeakPolarHBondContact OE1-CB 3.34Å; C174-E178 PolarHBondContact O-N 3.39Å; C174-E178 VanDerWaalsContact O-N 3.07Å; Q175-E178 PolarHBondContact O-N 3.41Å; Q175-E178 VanDerWaalsContact O-N 3.16Å; E178-A182 HydrophobicContact CG-CB 4.28Å; E178-A182 CarbonylContact O-C 3.6Å; E178-A182 WeakPolarHBondContact O-CA 3.35Å; E178-A182 VanDerWaalsContact O-CB 3.32Å; E178-A182 WeakPolarHBondContact O-CB 3.41Å; E178-A182 PolarHBondContact O-N 3.45Å; E178-G183 PolarHBondContact O-N 2.8Å; E178-V184 HydrophobicContact CG-CB 3.98Å; E178-V184 PolarHBondContact O-N 3.35Å; E178-V184 VanDerWaalsContact O-N 3.13Å; E178-C186 PolarHBondContact OE2-SG 3.06Å; E178-Q191 PolarHBondContact OE2-NE2 3.41Å
179H90Very high89.2Confident59 Ų5928 Ų2827%0.27317%0.171SC..Iπ-helixtrans-67.6-48.7178.8-70.5-169.2000112.7Q175 Q176 A177 G183 V184 C186Q175-H179 PolarHBondContact O-CD2 2.56Å; Q175-H179 VanDerWaalsContact O-CD2 3.31Å; Q175-H179 PolarHBondContact O-N 3.26Å; Q176-H179 PolarHBondContact O-N 3.41Å; A177-H179 VanDerWaalsContact C-N 3.33Å; A177-H179 PolarHBondContact O-N 3.32Å; H179-G183 WeakPolarHBondContact O-CA 3.4Å; H179-V184 PolarHBondContact CD2-O 3.18Å; H179-C186 PolarHBondContact NE2-N 3.18Å; H179-C186 PolarHBondContact NE2-O 2.73Å
180T91.6Very high89Confident58 Ų5828.7 Ų28.736%0.35617%0.174SC..Iπ-helixtrans-87.1-30-17053.80000113.8H120 Q176 A177H120-T180 PolarHBondContact NE2-OG1 2.91Å; Q176-T180 HydrophobicContact CG-CG2 4.3Å; Q176-T180 WeakPolarHBondContact O-CB 3.31Å; Q176-T180 WeakPolarHBondContact O-CG2 3.45Å; Q176-T180 PolarHBondContact O-N 2.97Å; Q176-T180 PolarHBondContact O-OG1 2.95Å; A177-T180 PolarHBondContact O-N 3.09Å
181H90.4Very high88.8Confident12 Ų1228.1 Ų28.16%0.05617%0.171CC..Iπ-helixtrans-110.6-37.4-174.6-65.364000113.7L103 P105 N112 G116 H120 A177L103-H181 PolarHBondContact O-NE2 3.12Å; P105-H181 HydrophobicContact CG-CB 4.37Å; N112-H181 HydrophobicContact CB-CB 4.2Å; N112-H181 WeakPolarHBondContact CB-O 3.36Å; N112-H181 VanDerWaalsContact O-CB 3.24Å; N112-H181 WeakPolarHBondContact O-CB 3.34Å; G116-H181 VanDerWaalsContact CA-CD2 3.49Å; G116-H181 WeakPolarHBondContact CA-CD2 3.29Å; G116-H181 WeakPolarHBondContact CA-ND1 3.44Å; G116-H181 PolarHBondContact N-CD2 3.45Å; H120-H181 AromaticContact NE2-CE1 3.91Å; A177-H181 WeakPolarHBondContact O-CA 3.39Å; A177-H181 WeakPolarHBondContact O-CB 3.5Å; A177-H181 PolarHBondContact O-N 2.91Å
182A85.8Confident88.7Confident31 Ų3128.2 Ų28.226%0.25617%0.172SC..Iπ-helixtrans-85.8-18.5173.400000112.4Y113 A177 E178 V184Y113-A182 HydrophobicContact CD1-CB 3.88Å; Y113-A182 HydrophobicContact CE1-CB 3.33Å; A177-A182 PolarHBondContact O-N 3.49Å; E178-A182 HydrophobicContact CG-CB 4.28Å; E178-A182 CarbonylContact O-C 3.6Å; E178-A182 WeakPolarHBondContact O-CA 3.35Å; E178-A182 VanDerWaalsContact O-CB 3.32Å; E178-A182 WeakPolarHBondContact O-CB 3.41Å; E178-A182 PolarHBondContact O-N 3.45Å; A182-V184 VanDerWaalsContact C-N 3.28Å; A182-V184 HydrophobicContact CB-CG2 4.29Å
183G84.8Confident88.4Confident58 Ų5824.8 Ų24.860%0.59815%0.154SC*.  trans71.922.5-178.900000113E178 H179E178-G183 PolarHBondContact O-N 2.8Å; H179-G183 WeakPolarHBondContact O-CA 3.4Å
184V81.6Confident88.1Confident59 Ų5924.5 Ų24.536%0.35815%0.151SC..  trans-108.9110.7-177.3-178.90000108.5E178 H179 A182 C186E178-V184 HydrophobicContact CG-CB 3.98Å; E178-V184 PolarHBondContact O-N 3.35Å; E178-V184 VanDerWaalsContact O-N 3.13Å; H179-V184 PolarHBondContact CD2-O 3.18Å; A182-V184 VanDerWaalsContact C-N 3.28Å; A182-V184 HydrophobicContact CB-CG2 4.29Å; V184-C186 HydrophobicContact CG1-CB 4.33Å; V184-C186 PolarHBondContact O-N 3.48Å
185P78.8Confident87.9Confident44 Ų4424.9 Ų24.929%0.28615%0.154SC..  trans-80.961-178.434.2-36.6000111.6
186C80.6Confident87.6Confident14 Ų1425.9 Ų25.910%0.09516%0.158CC..  trans-69.5158.9-179.666.50000112.5Q175 E178 H179 V184Q175-C186 PolarHBondContact NE2-O 3.2Å; E178-C186 PolarHBondContact OE2-SG 3.06Å; H179-C186 PolarHBondContact NE2-N 3.18Å; H179-C186 PolarHBondContact NE2-O 2.73Å; V184-C186 HydrophobicContact CG1-CB 4.33Å; V184-C186 PolarHBondContact O-N 3.48Å
187G82.3Confident87.1Confident6 Ų622.5 Ų22.56%0.06214%0.143CC..  trans-74.9-168.3165.900000112.2D48 Q175D48-G187 WeakPolarHBondContact OD2-CA 3.26Å; D48-G187 PolarHBondContact OD2-N 3.29Å; Q175-G187 VanDerWaalsContact NE2-C 3.31Å; Q175-G187 PolarHBondContact NE2-O 3.18Å
188I85.7Confident86.6Confident9 Ų930.1 Ų30.15%0.04617%0.172CC..SBendtrans-90.4-14.2-174.2-157.3172.3000113.3V171 L172 D190 F192 L210V171-I188 HydrophobicContact CG1-CD1 3.79Å; V171-I188 HydrophobicContact CG1-CG1 3.48Å; V171-I188 VanDerWaalsContact CG1-CG1 3.48Å; L172-I188 HydrophobicContact CD2-CD1 3.78Å; I188-D190 PolarHBondContact O-N 2.87Å; I188-F192 HydrophobicContact CD1-CD2 4.06Å; I188-F192 HydrophobicContact CG1-CD2 4.22Å; I188-F192 WeakPolarHBondContact O-CB 3.46Å; I188-F192 PolarHBondContact O-N 2.72Å; I188-L210 HydrophobicContact CD1-CD1 4.14Å; I188-L210 HydrophobicContact CD1-CD2 3.73Å; I188-L210 HydrophobicContact CG2-CD2 4.22Å
189M87.1Confident86.2Confident13 Ų1336 Ų366%0.06420%0.199CC..Hα-helixtrans-51.5-49.5-167.8176.3174.256.800113.4N41 V54 P56 F192 V193N41-M189 HydrophobicContact CB-CE 4.33Å; N41-M189 HydrophobicContact CB-SD 4.05Å; N41-M189 VanDerWaalsContact CG-SD 3.57Å; N41-M189 PolarHBondContact OD1-SD 3.03Å; N41-M189 VanDerWaalsContact OD1-SD 3.41Å; V54-M189 HydrophobicContact CB-CG 4.31Å; V54-M189 HydrophobicContact CB-SD 3.68Å; V54-M189 HydrophobicContact CG1-SD 3.87Å; V54-M189 HydrophobicContact CG2-CB 4.11Å; V54-M189 HydrophobicContact CG2-CG 3.82Å; V54-M189 HydrophobicContact CG2-SD 3.89Å; P56-M189 HydrophobicContact CB-CG 4.15Å; P56-M189 HydrophobicContact CB-SD 4.19Å; P56-M189 HydrophobicContact CG-CG 3.9Å; P56-M189 HydrophobicContact CG-SD 4.3Å; M189-F192 PolarHBondContact O-N 2.89Å; M189-V193 WeakPolarHBondContact O-CG1 3.43Å; M189-V193 PolarHBondContact O-N 3.38Å
190D88.7Confident86Confident23 Ų2333.6 Ų33.612%0.12319%0.191CC..Hα-helixtrans-67.4-48.7-168.3-69.710.7000111.9R39 S144 A147 I188 F192 V193 S194R39-D190 IonicContact CZ-OD1 3.04Å; R39-D190 IonicContact CZ-OD2 3.19Å; R39-D190 IonicContact NE-OD1 2.67Å; R39-D190 PolarHBondContact NE-OD1 2.96Å; R39-D190 IonicContact NE-OD2 3.76Å; R39-D190 IonicContact NH2-OD1 3.82Å; R39-D190 PolarHBondContact NH2-OD1 3.4Å; R39-D190 IonicContact NH2-OD2 3.83Å; R39-D190 PolarHBondContact NH2-OD2 3.28Å; S144-D190 PolarHBondContact OG-OD2 3.02Å; A147-D190 HydrophobicContact CB-CB 3.59Å; I188-D190 PolarHBondContact O-N 2.87Å; D190-F192 VanDerWaalsContact C-N 3.34Å; D190-V193 WeakPolarHBondContact O-CG1 3.43Å; D190-S194 VanDerWaalsContact O-CB 3.31Å; D190-S194 WeakPolarHBondContact O-CB 3.41Å; D190-S194 PolarHBondContact O-N 3.45Å
191Q90.6Very high85.9Confident0 Ų033.7 Ų33.70%019%0.187CC..Hα-helixtrans-65.5-40.8175.1-67.376.311.100110.6A147 E150 V151 V171 C174 E178 S194 V195A147-Q191 HydrophobicContact CB-CG 4.22Å; E150-Q191 PolarHBondContact OE2-NE2 3.08Å; V151-Q191 HydrophobicContact CG2-CB 4.4Å; V171-Q191 HydrophobicContact CB-CB 4.5Å; V171-Q191 HydrophobicContact CG1-CB 3.86Å; C174-Q191 HydrophobicContact CB-CB 4.27Å; C174-Q191 HydrophobicContact CB-CG 3.53Å; E178-Q191 PolarHBondContact OE2-NE2 3.41Å; Q191-S194 PolarHBondContact O-N 2.83Å; Q191-V195 WeakPolarHBondContact O-CG2 3.49Å; Q191-V195 PolarHBondContact O-N 3.42Å; Q191-V195 VanDerWaalsContact O-N 3.1Å
192F91.1Very high86Confident3 Ų333.1 Ų33.11%0.01319%0.185CC..Hα-helixtrans-63.4-50.5-176.3-155.9-64.6000111.5L168 V171 I188 M189 D190 S194 V195 F196 L203 I205 L210 A212L168-F192 HydrophobicContact CD1-CE2 3.92Å; V171-F192 HydrophobicContact CG1-CB 4.04Å; V171-F192 HydrophobicContact CG1-CD2 4.02Å; V171-F192 HydrophobicContact CG1-CG 4.38Å; I188-F192 HydrophobicContact CD1-CD2 4.06Å; I188-F192 HydrophobicContact CG1-CD2 4.22Å; I188-F192 WeakPolarHBondContact O-CB 3.46Å; I188-F192 PolarHBondContact O-N 2.72Å; M189-F192 PolarHBondContact O-N 2.89Å; D190-F192 VanDerWaalsContact C-N 3.34Å; F192-S194 VanDerWaalsContact C-N 3.31Å; F192-S194 PolarHBondContact O-N 3.23Å; F192-V195 PolarHBondContact O-N 2.96Å; F192-F196 HydrophobicContact CD1-CB 3.98Å; F192-F196 AromaticContact CD1-CD2 3.49Å; F192-F196 HydrophobicContact CD1-CD2 3.49Å; F192-F196 VanDerWaalsContact CD1-CD2 3.49Å; F192-F196 HydrophobicContact CD1-CE2 4.21Å; F192-F196 AromaticContact CD1-CG 3.95Å; F192-F196 HydrophobicContact CD1-CG 3.95Å; F192-F196 HydrophobicContact CE1-CB 3.87Å; F192-F196 HydrophobicContact CE1-CD1 4.23Å; F192-F196 AromaticContact CE1-CD2 3.33Å; F192-F196 HydrophobicContact CE1-CD2 3.33Å; F192-F196 AromaticContact CE1-CE2 3.81Å; F192-F196 HydrophobicContact CE1-CE2 3.81Å; F192-F196 AromaticContact CE1-CG 3.56Å; F192-F196 HydrophobicContact CE1-CG 3.56Å; F192-F196 HydrophobicContact CE1-CZ 4.43Å; F192-F196 HydrophobicContact CE2-CD2 4.49Å; F192-F196 HydrophobicContact CE2-CE2 4.28Å; F192-F196 HydrophobicContact CG-CD2 4.12Å; F192-F196 AromaticContact CZ-CD2 3.89Å; F192-F196 HydrophobicContact CZ-CD2 3.89Å; F192-F196 AromaticContact CZ-CE2 3.86Å; F192-F196 HydrophobicContact CZ-CE2 3.86Å; F192-F196 HydrophobicContact CZ-CG 4.33Å; F192-F196 HydrophobicContact CZ-CZ 4.29Å; F192-F196 WeakPolarHBondContact O-CB 3.44Å; F192-F196 WeakPolarHBondContact O-CD2 3.31Å; F192-F196 PolarHBondContact O-N 3.48Å; F192-L203 HydrophobicContact CD1-CD2 3.92Å; F192-L203 HydrophobicContact CE1-CD2 4.18Å; F192-I205 HydrophobicContact CB-CD1 3.97Å; F192-I205 HydrophobicContact CD1-CD1 3.82Å; F192-I205 HydrophobicContact CD1-CG1 4.15Å; F192-I205 HydrophobicContact CD2-CG2 4.44Å; F192-I205 HydrophobicContact CG-CD1 4.02Å; F192-I205 HydrophobicContact CG-CG2 4.42Å; F192-L210 HydrophobicContact CE2-CB 4.33Å; F192-L210 WeakPolarHBondContact CZ-O 2.91Å; F192-A212 HydrophobicContact CD1-CB 4.43Å; F192-A212 HydrophobicContact CE1-CB 3.44Å; F192-A212 VanDerWaalsContact CE1-CB 3.44Å; F192-A212 HydrophobicContact CZ-CB 3.87Å
193V87.9Confident86.3Confident0 Ų032 Ų320%018%0.175CC..Hα-helixtrans-65.3-36.5178.569.60000111.6R39 P56 K58 M189 D190 V195 A197R39-V193 HydrophobicContact CB-CG1 3.44Å; R39-V193 VanDerWaalsContact CB-CG1 3.44Å; R39-V193 HydrophobicContact CG-CG1 3.65Å; P56-V193 HydrophobicContact CB-CB 4.18Å; P56-V193 HydrophobicContact CB-CG1 4.32Å; P56-V193 HydrophobicContact CB-CG2 4.07Å; P56-V193 HydrophobicContact CG-CB 3.95Å; P56-V193 HydrophobicContact CG-CG1 4.5Å; P56-V193 HydrophobicContact CG-CG2 4.08Å; K58-V193 HydrophobicContact CB-CG2 4.32Å; M189-V193 WeakPolarHBondContact O-CG1 3.43Å; M189-V193 PolarHBondContact O-N 3.38Å; D190-V193 WeakPolarHBondContact O-CG1 3.43Å; V193-V195 PolarHBondContact O-N 2.68Å; V193-A197 HydrophobicContact CG2-CB 4.13Å; V193-A197 WeakPolarHBondContact O-CB 3.26Å; V193-A197 PolarHBondContact O-N 3.22Å
194S88.1Confident86.8Confident2 Ų230 Ų301%0.01415%0.15CC..Hα-helixtrans-61.7-32.4177.2-173.80000112.4P37 D190 Q191 F192 G390 S391P37-S194 WeakPolarHBondContact CD-OG 3.29Å; D190-S194 VanDerWaalsContact O-CB 3.31Å; D190-S194 WeakPolarHBondContact O-CB 3.41Å; D190-S194 PolarHBondContact O-N 3.45Å; Q191-S194 PolarHBondContact O-N 2.83Å; F192-S194 VanDerWaalsContact C-N 3.31Å; F192-S194 PolarHBondContact O-N 3.23Å; S194-G390 CarbonylContact O-C 3.55Å; S194-S391 PolarHBondContact O-N 2.74Å
195V89.8Confident87.4Confident8 Ų827.2 Ų27.25%0.04813%0.133CC..Hα-helixtrans-88.2-43.5178175.50000113.6V151 K167 K170 V171 Q191 F192 V193V151-V195 HydrophobicContact CB-CG2 4.48Å; V151-V195 HydrophobicContact CG1-CG2 3.57Å; V151-V195 HydrophobicContact CG2-CG2 4Å; K167-V195 HydrophobicContact CB-CG1 3.85Å; K167-V195 HydrophobicContact CD-CG1 4.3Å; K167-V195 HydrophobicContact CG-CG1 4.16Å; K170-V195 HydrophobicContact CD-CG1 4.29Å; K170-V195 HydrophobicContact CD-CG2 3.64Å; K170-V195 HydrophobicContact CG-CG2 4.06Å; V171-V195 HydrophobicContact CG2-CB 3.72Å; V171-V195 HydrophobicContact CG2-CG1 4.1Å; V171-V195 HydrophobicContact CG2-CG2 3.68Å; Q191-V195 WeakPolarHBondContact O-CG2 3.49Å; Q191-V195 PolarHBondContact O-N 3.42Å; Q191-V195 VanDerWaalsContact O-N 3.1Å; F192-V195 PolarHBondContact O-N 2.96Å; V193-V195 PolarHBondContact O-N 2.68Å
196F88.1Confident88.2Confident56 Ų5626.2 Ų26.225%0.24613%0.125CC..Hα-helixtrans-100-9.4-167.4-76.2-90.5000115.1K167 V171 F192 L203K167-F196 HydrophobicContact CB-CE1 3.85Å; K167-F196 HydrophobicContact CB-CE2 3.85Å; K167-F196 HydrophobicContact CB-CZ 3.36Å; K167-F196 HydrophobicContact CD-CD1 4.24Å; K167-F196 HydrophobicContact CD-CE1 3.91Å; K167-F196 HydrophobicContact CD-CZ 4.28Å; K167-F196 HydrophobicContact CG-CZ 4.46Å; V171-F196 HydrophobicContact CG2-CD2 4.14Å; V171-F196 HydrophobicContact CG2-CE2 3.84Å; F192-F196 HydrophobicContact CD1-CB 3.98Å; F192-F196 AromaticContact CD1-CD2 3.49Å; F192-F196 HydrophobicContact CD1-CD2 3.49Å; F192-F196 VanDerWaalsContact CD1-CD2 3.49Å; F192-F196 HydrophobicContact CD1-CE2 4.21Å; F192-F196 AromaticContact CD1-CG 3.95Å; F192-F196 HydrophobicContact CD1-CG 3.95Å; F192-F196 HydrophobicContact CE1-CB 3.87Å; F192-F196 HydrophobicContact CE1-CD1 4.23Å; F192-F196 AromaticContact CE1-CD2 3.33Å; F192-F196 HydrophobicContact CE1-CD2 3.33Å; F192-F196 AromaticContact CE1-CE2 3.81Å; F192-F196 HydrophobicContact CE1-CE2 3.81Å; F192-F196 AromaticContact CE1-CG 3.56Å; F192-F196 HydrophobicContact CE1-CG 3.56Å; F192-F196 HydrophobicContact CE1-CZ 4.43Å; F192-F196 HydrophobicContact CE2-CD2 4.49Å; F192-F196 HydrophobicContact CE2-CE2 4.28Å; F192-F196 HydrophobicContact CG-CD2 4.12Å; F192-F196 AromaticContact CZ-CD2 3.89Å; F192-F196 HydrophobicContact CZ-CD2 3.89Å; F192-F196 AromaticContact CZ-CE2 3.86Å; F192-F196 HydrophobicContact CZ-CE2 3.86Å; F192-F196 HydrophobicContact CZ-CG 4.33Å; F192-F196 HydrophobicContact CZ-CZ 4.29Å; F192-F196 WeakPolarHBondContact O-CB 3.44Å; F192-F196 WeakPolarHBondContact O-CD2 3.31Å; F192-F196 PolarHBondContact O-N 3.48Å; F196-L203 HydrophobicContact CB-CD2 3.76Å
197A82.8Confident88.8Confident10 Ų1026.2 Ų26.28%0.08313%0.126CC..  trans-58.6144.8-178.900000113.3K58 V193 G390K58-A197 HydrophobicContact CB-CB 3.44Å; K58-A197 VanDerWaalsContact CB-CB 3.44Å; K58-A197 HydrophobicContact CD-CB 3.71Å; K58-A197 HydrophobicContact CG-CB 4.17Å; V193-A197 HydrophobicContact CG2-CB 4.13Å; V193-A197 WeakPolarHBondContact O-CB 3.26Å; V193-A197 PolarHBondContact O-N 3.22Å; A197-G390 PolarHBondContact O-N 3.43Å
198R82.4Confident89.2Confident161 Ų16131.3 Ų31.361%0.60814%0.143SC*.  trans-121.6146.8175.6-63.3-178.5-178.2179.20.4108.9H201 S388R198-H201 HydrophobicContact CB-CB 4.37Å; R198-H201 PolarHBondContact O-N 3.26Å; R198-S388 CarbonylContact C-O 3.59Å
199E83.4Confident89.6Confident129 Ų12933.6 Ų33.660%0.60316%0.16SC*.THydrogen-bonded Turntrans-56.9141175-175.8171.3-169.900111.1H201 S388 E389E199-H201 PolarHBondContact O-N 3.21Å; E199-H201 PolarHBondContact O-ND1 3.47Å; E199-S388 PolarHBondContact N-O 3.1Å; E199-E389 HydrophobicContact CB-CG 4.13Å
200G85.6Confident89.7Confident10 Ų1035.4 Ų35.410%0.10317%0.169CC..THydrogen-bonded Turntrans63.818.4-177.900000115.7L217 P387G200-L217 CarbonylContact C-O 3.43Å; G200-L217 CarbonylContact O-C 3.36Å; G200-L217 VanDerWaalsContact O-C 3.24Å; G200-L217 WeakPolarHBondContact O-CA 3.01Å; G200-L217 PolarHBondContact O-N 3.29Å; G200-P387 PolarHBondContact N-O 3.31Å
201H89Confident89.9Confident59 Ų5940.9 Ų40.927%0.27319%0.194SC..EExtended strand (participates in β ladder)trans-133.7140.3179.2-64.474.3000112.6R198 E199 V215R198-H201 HydrophobicContact CB-CB 4.37Å; R198-H201 PolarHBondContact O-N 3.26Å; E199-H201 PolarHBondContact O-N 3.21Å; E199-H201 PolarHBondContact O-ND1 3.47Å; H201-V215 CarbonylContact C-O 3.54Å; H201-V215 VanDerWaalsContact CA-O 3.26Å; H201-V215 WeakPolarHBondContact CA-O 3.3Å
202A91.6Very high89.8Confident1 Ų142.8 Ų42.81%0.00821%0.21CC..EExtended strand (participates in β ladder)trans-81.8165.2155.200000109.8L42 L55 M57 V215 L217 L299L42-A202 HydrophobicContact CD1-CB 3.99Å; L55-A202 HydrophobicContact CD1-CB 4.19Å; L55-A202 HydrophobicContact CG-CB 4.45Å; M57-A202 HydrophobicContact CB-CB 4.12Å; A202-V215 HydrophobicContact CB-CB 4.36Å; A202-V215 PolarHBondContact N-O 3.4Å; A202-V215 PolarHBondContact O-N 3.32Å; A202-L217 HydrophobicContact CB-CD2 4.16Å; A202-L299 HydrophobicContact CB-CD2 4.23Å
203L91.9Very high89.9Confident7 Ų745.9 Ų45.94%0.03723%0.23CC..EExtended strand (participates in β ladder)trans-125.9108.3-177.4-16666.1000109.6P56 F192 F196 I205 A212P56-L203 WeakPolarHBondContact CD-O 3.37Å; P56-L203 PolarHBondContact O-N 3.33Å; F192-L203 HydrophobicContact CD1-CD2 3.92Å; F192-L203 HydrophobicContact CE1-CD2 4.18Å; F196-L203 HydrophobicContact CB-CD2 3.76Å; L203-I205 HydrophobicContact CB-CG1 4.47Å; L203-I205 HydrophobicContact CD2-CD1 4.05Å; L203-I205 HydrophobicContact CD2-CG1 3.97Å; L203-I205 HydrophobicContact CG-CD1 4.4Å; L203-I205 HydrophobicContact CG-CG1 3.88Å; L203-I205 PolarHBondContact O-N 2.88Å; L203-A212 HydrophobicContact CD1-CB 3.83Å; L203-A212 HydrophobicContact CD2-CB 4.2Å; L203-A212 HydrophobicContact CG-CB 4.02Å
204L95.3Very high90Very high17 Ų1747.9 Ų47.99%0.08924%0.243CC..EExtended strand (participates in β ladder)trans-77.6117.3169.7178.166.3000107.9F53 V54 L55 A212 T213 V215 T292 A296F53-L204 HydrophobicContact CB-CD1 4.11Å; F53-L204 HydrophobicContact CD1-CD1 4.24Å; F53-L204 HydrophobicContact CG-CD1 4.48Å; V54-L204 WeakPolarHBondContact O-CA 3.41Å; L55-L204 HydrophobicContact CD1-CB 3.8Å; L55-L204 HydrophobicContact CD1-CD1 4.32Å; L204-A212 CarbonylContact O-C 3.5Å; L204-A212 WeakPolarHBondContact O-CA 3.39Å; L204-T213 PolarHBondContact N-O 3.19Å; L204-T213 PolarHBondContact O-N 3.21Å; L204-V215 HydrophobicContact CB-CG2 4.16Å; L204-T292 HydrophobicContact CD1-CG2 4.01Å; L204-A296 HydrophobicContact CD1-CB 4.14Å; L204-A296 HydrophobicContact CD2-CB 3.91Å; L204-A296 HydrophobicContact CG-CB 4.42Å
205I94.3Very high90.2Very high0 Ų047.8 Ų47.80%024%0.243CC..EExtended strand (participates in β ladder)trans-112.9126.2-179-53.4166.7000108.4F53 V54 P56 F192 L203 A212F53-I205 WeakPolarHBondContact CA-O 3.49Å; V54-I205 HydrophobicContact CG2-CB 3.71Å; V54-I205 HydrophobicContact CG2-CD1 4.03Å; V54-I205 HydrophobicContact CG2-CG1 4.27Å; V54-I205 HydrophobicContact CG2-CG2 4.49Å; V54-I205 PolarHBondContact N-O 3.09Å; V54-I205 VanDerWaalsContact N-O 3.1Å; V54-I205 PolarHBondContact O-N 2.61Å; P56-I205 HydrophobicContact CG-CD1 3.78Å; F192-I205 HydrophobicContact CB-CD1 3.97Å; F192-I205 HydrophobicContact CD1-CD1 3.82Å; F192-I205 HydrophobicContact CD1-CG1 4.15Å; F192-I205 HydrophobicContact CD2-CG2 4.44Å; F192-I205 HydrophobicContact CG-CD1 4.02Å; F192-I205 HydrophobicContact CG-CG2 4.42Å; L203-I205 HydrophobicContact CB-CG1 4.47Å; L203-I205 HydrophobicContact CD2-CD1 4.05Å; L203-I205 HydrophobicContact CD2-CG1 3.97Å; L203-I205 HydrophobicContact CG-CD1 4.4Å; L203-I205 HydrophobicContact CG-CG1 3.88Å; L203-I205 PolarHBondContact O-N 2.88Å; I205-A212 HydrophobicContact CG1-CB 4.47Å
206D95.4Very high90.2Very high22 Ų2251 Ų5112%0.11826%0.263CS..EExtended strand (participates in β ladder)trans-85.8108.7164.9-168.2-30.4000108.6F53 R208 S209 L210 E211 R260F53-D206 HydrophobicContact CD1-CB 3.92Å; F53-D206 HydrophobicContact CE1-CB 3.64Å; F53-D206 VanDerWaalsContact CE1-OD2 3.25Å; F53-D206 WeakPolarHBondContact CE1-OD2 3.26Å; D206-R208 PolarHBondContact O-N 3.17Å; D206-R208 VanDerWaalsContact O-N 3.16Å; D206-R208 VanDerWaalsContact OD1-CB 3.29Å; D206-R208 WeakPolarHBondContact OD1-CB 2.84Å; D206-R208 PolarHBondContact OD1-N 2.74Å; D206-S209 WeakPolarHBondContact CB-OG 3.33Å; D206-L210 VanDerWaalsContact O-CA 3.23Å; D206-L210 WeakPolarHBondContact O-CA 3.24Å; D206-L210 PolarHBondContact O-N 3.07Å; D206-E211 PolarHBondContact N-O 2.71Å; D206-R260 IonicContact OD1-CZ 3.74Å; D206-R260 IonicContact OD1-NH1 3.64Å; D206-R260 PolarHBondContact OD1-NH1 3.29Å; D206-R260 IonicContact OD1-NH2 2.89Å; D206-R260 IonicContact OD2-CZ 2.79Å; D206-R260 IonicContact OD2-NH1 3.54Å; D206-R260 PolarHBondContact OD2-NH1 2.84Å; D206-R260 IonicContact OD2-NH2 3.05Å; D206-R260 PolarHBondContact OD2-NH2 3.42Å
207C93Very high90.2Very high15 Ų1549 Ų4910%0.10126%0.255CS..THydrogen-bonded Turntrans-71.8-7.2-176.3-59.30000113.1D48 G52D48-C207 WeakPolarHBondContact O-CB 3.34Å; G52-C207 WeakPolarHBondContact O-CB 3.32Å; G52-C207 PolarHBondContact O-N 2.99Å
208R92.6Very high90.2Very high112 Ų11252.3 Ų52.342%0.42328%0.283SS..THydrogen-bonded Turntrans-87.9-56.6173.6-172.9167.453.2-177.1-3.5112.2Q51 D206 L210 D261Q51-R208 HydrophobicContact CB-CB 4Å; Q51-R208 HydrophobicContact CB-CG 4.44Å; D206-R208 PolarHBondContact O-N 3.17Å; D206-R208 VanDerWaalsContact O-N 3.16Å; D206-R208 VanDerWaalsContact OD1-CB 3.29Å; D206-R208 WeakPolarHBondContact OD1-CB 2.84Å; D206-R208 PolarHBondContact OD1-N 2.74Å; R208-L210 VanDerWaalsContact C-N 3.35Å; R208-D261 IonicContact NH1-OD1 2.98Å; R208-D261 PolarHBondContact NH1-OD1 3.43Å; R208-D261 IonicContact NH1-OD2 3.45Å
209S93.3Very high90.4Very high58 Ų5847.1 Ų47.141%0.40627%0.267SS..THydrogen-bonded Turntrans-84-14.2-177.261.50000113D206 E211D206-S209 WeakPolarHBondContact CB-OG 3.33Å; S209-E211 PolarHBondContact O-N 3.37Å; S209-E211 WeakPolarHBondContact OG-CB 3.41Å; S209-E211 WeakPolarHBondContact OG-CG 3.4Å; S209-E211 PolarHBondContact OG-N 2.84Å
210L90.1Very high90.5Very high50 Ų5046.7 Ų46.726%0.26228%0.276SS..  trans61.719.9-172.1-49-176.5000113L168 I188 F192 D206 R208L168-L210 HydrophobicContact CD1-CB 4.39Å; L168-L210 HydrophobicContact CD1-CD1 4.11Å; L168-L210 HydrophobicContact CD2-CD1 4.34Å; I188-L210 HydrophobicContact CD1-CD1 4.14Å; I188-L210 HydrophobicContact CD1-CD2 3.73Å; I188-L210 HydrophobicContact CG2-CD2 4.22Å; F192-L210 HydrophobicContact CE2-CB 4.33Å; F192-L210 WeakPolarHBondContact CZ-O 2.91Å; D206-L210 VanDerWaalsContact O-CA 3.23Å; D206-L210 WeakPolarHBondContact O-CA 3.24Å; D206-L210 PolarHBondContact O-N 3.07Å; R208-L210 VanDerWaalsContact C-N 3.35Å
211E91.1Very high90.7Very high138 Ų13849.2 Ų49.265%0.64529%0.291SS*.  trans-77.8143.4171.6-69.1-177.2166.800110.6D206 S209D206-E211 PolarHBondContact N-O 2.71Å; S209-E211 PolarHBondContact O-N 3.37Å; S209-E211 WeakPolarHBondContact OG-CB 3.41Å; S209-E211 WeakPolarHBondContact OG-CG 3.4Å; S209-E211 PolarHBondContact OG-N 2.84Å
212A89.9Confident90.7Very high41 Ų4147.2 Ų47.234%0.33928%0.283SS..EExtended strand (participates in β ladder)trans-130.1126.1-179.300000111.4F192 L203 L204 I205F192-A212 HydrophobicContact CD1-CB 4.43Å; F192-A212 HydrophobicContact CE1-CB 3.44Å; F192-A212 VanDerWaalsContact CE1-CB 3.44Å; F192-A212 HydrophobicContact CZ-CB 3.87Å; L203-A212 HydrophobicContact CD1-CB 3.83Å; L203-A212 HydrophobicContact CD2-CB 4.2Å; L203-A212 HydrophobicContact CG-CB 4.02Å; L204-A212 CarbonylContact O-C 3.5Å; L204-A212 WeakPolarHBondContact O-CA 3.39Å; I205-A212 HydrophobicContact CG1-CB 4.47Å
213T92.1Very high90.6Very high68 Ų6848.3 Ų48.342%0.41729%0.29SS..EExtended strand (participates in β ladder)trans-110.5121.4179.1-600000109.5L204L204-T213 PolarHBondContact N-O 3.19Å; L204-T213 PolarHBondContact O-N 3.21Å
214S91.4Very high90.6Very high41 Ų4148.5 Ų48.529%0.28729%0.29SS..EExtended strand (participates in β ladder)trans-70.9130.3174.2-56.40000110.6
215V91.4Very high90.4Very high0 Ų047.7 Ų47.70%029%0.286CS..EExtended strand (participates in β ladder)trans-115.1116177.31800000108.4L55 H201 A202 L204 L217 A296 L299 K300L55-V215 HydrophobicContact CD1-CG2 4.09Å; H201-V215 CarbonylContact C-O 3.54Å; H201-V215 VanDerWaalsContact CA-O 3.26Å; H201-V215 WeakPolarHBondContact CA-O 3.3Å; A202-V215 HydrophobicContact CB-CB 4.36Å; A202-V215 PolarHBondContact N-O 3.4Å; A202-V215 PolarHBondContact O-N 3.32Å; L204-V215 HydrophobicContact CB-CG2 4.16Å; V215-L217 PolarHBondContact O-N 3.07Å; V215-A296 HydrophobicContact CG2-CB 4.4Å; V215-L299 HydrophobicContact CG1-CB 3.92Å; V215-L299 HydrophobicContact CG1-CD2 3.75Å; V215-L299 HydrophobicContact CG1-CG 3.96Å; V215-K300 HydrophobicContact CG1-CG 3.85Å
216P90.3Very high90.3Very high75 Ų7547.7 Ų47.749%0.48729%0.286SS..EExtended strand (participates in β ladder)trans-57.3135.6-179.3-25.935.1000112.8
217L86.8Confident90.2Very high15 Ų1546.6 Ų46.68%0.07928%0.28CS..  trans-15161.6-178.9-174.756.2000109.1L42 M57 G200 A202 V215 I224 L299 P387L42-L217 HydrophobicContact CD1-CD2 3.92Å; M57-L217 HydrophobicContact SD-CD2 3.65Å; G200-L217 CarbonylContact C-O 3.43Å; G200-L217 CarbonylContact O-C 3.36Å; G200-L217 VanDerWaalsContact O-C 3.24Å; G200-L217 WeakPolarHBondContact O-CA 3.01Å; G200-L217 PolarHBondContact O-N 3.29Å; A202-L217 HydrophobicContact CB-CD2 4.16Å; V215-L217 PolarHBondContact O-N 3.07Å; L217-I224 HydrophobicContact CD2-CD1 3.73Å; L217-I224 HydrophobicContact CG-CD1 4.42Å; L217-L299 HydrophobicContact CD1-CD1 3.9Å; L217-L299 HydrophobicContact CD1-CD2 4.28Å; L217-L299 HydrophobicContact CD1-CG 4.42Å; L217-L299 HydrophobicContact CD2-CD2 4.41Å; L217-P387 HydrophobicContact CB-CG 4.11Å; L217-P387 HydrophobicContact CD2-CG 3.94Å; L217-P387 HydrophobicContact CG-CG 3.94Å; L217-P387 WeakPolarHBondContact O-CG 3.29Å
218A83.4Confident90.2Very high80 Ų8046.5 Ų46.566%0.66128%0.279SS*.  trans-125.419.5-173.900000112.9P220A218-P220 WeakPolarHBondContact O-CD 3.42Å
219D87.4Confident90.2Very high52 Ų5241.2 Ų41.228%0.27826%0.259SS..  trans-73.2115.8178.9-170.7-28.7000110.1S221 L222 Y304D219-S221 VanDerWaalsContact CG-OG 3.24Å; D219-S221 PolarHBondContact O-N 3.01Å; D219-S221 VanDerWaalsContact OD1-CB 3.27Å; D219-S221 WeakPolarHBondContact OD1-CB 3.33Å; D219-S221 PolarHBondContact OD1-N 2.85Å; D219-S221 PolarHBondContact OD1-OG 3.16Å; D219-S221 PolarHBondContact OD2-OG 3.18Å; D219-L222 HydrophobicContact CB-CB 4.4Å; D219-L222 HydrophobicContact CB-CD1 4.04Å; D219-L222 HydrophobicContact CB-CG 4.04Å; D219-L222 PolarHBondContact O-N 3.16Å; D219-L222 VanDerWaalsContact O-N 3.08Å; D219-Y304 WeakPolarHBondContact CB-OH 3.5Å; D219-Y304 WeakPolarHBondContact OD2-CE2 3.37Å; D219-Y304 PolarHBondContact OD2-OH 3.21Å
220P85.1Confident90Very high120 Ų12042 Ų4278%0.77926%0.258SS*.THydrogen-bonded Turntrans-68.8-14.7-177.730.3-36.5000113.1A218A218-P220 WeakPolarHBondContact O-CD 3.42Å
221S88.6Confident89.8Confident62 Ų6242.4 Ų42.443%0.43426%0.26SS..THydrogen-bonded Turntrans-79.2-8174.675.20000113D219 Q361 A362D219-S221 VanDerWaalsContact CG-OG 3.24Å; D219-S221 PolarHBondContact O-N 3.01Å; D219-S221 VanDerWaalsContact OD1-CB 3.27Å; D219-S221 WeakPolarHBondContact OD1-CB 3.33Å; D219-S221 PolarHBondContact OD1-N 2.85Å; D219-S221 PolarHBondContact OD1-OG 3.16Å; D219-S221 PolarHBondContact OD2-OG 3.18Å; S221-Q361 CarbonylContact O-C 3.57Å; S221-Q361 WeakPolarHBondContact O-CA 3.19Å; S221-A362 PolarHBondContact O-N 3.2Å
222L90Very high89Confident17 Ų1741.9 Ų41.99%0.08926%0.256CS..EExtended strand (participates in β ladder)trans-107.8147.5179.9-65.2-175.3000112.5D219 Y304 F343 L359D219-L222 HydrophobicContact CB-CB 4.4Å; D219-L222 HydrophobicContact CB-CD1 4.04Å; D219-L222 HydrophobicContact CB-CG 4.04Å; D219-L222 PolarHBondContact O-N 3.16Å; D219-L222 VanDerWaalsContact O-N 3.08Å; L222-Y304 HydrophobicContact CD1-CD1 3.58Å; L222-Y304 HydrophobicContact CD1-CD2 3.82Å; L222-Y304 HydrophobicContact CD1-CE1 3.32Å; L222-Y304 HydrophobicContact CD1-CE2 3.56Å; L222-Y304 HydrophobicContact CD1-CG 3.81Å; L222-Y304 HydrophobicContact CD2-CD2 3.87Å; L222-Y304 HydrophobicContact CD2-CE2 4.13Å; L222-Y304 HydrophobicContact CD2-CG 4.19Å; L222-Y304 HydrophobicContact CG-CD2 4.21Å; L222-Y304 HydrophobicContact CG-CE2 3.98Å; L222-F343 HydrophobicContact CD2-CD2 4.12Å; L222-F343 HydrophobicContact CD2-CE2 3.39Å; L222-F343 HydrophobicContact CD2-CZ 4.17Å; L222-L359 HydrophobicContact CD1-CD1 4.27Å
223V89.3Confident88Confident25 Ų2544.1 Ų44.115%0.15226%0.259CS..EExtended strand (participates in β ladder)trans-133.4146.3171.4170.80000109.1L360 A362 I365 V384V223-L360 HydrophobicContact CB-CD2 4.41Å; V223-L360 HydrophobicContact CB-CG 4.42Å; V223-L360 HydrophobicContact CG1-CD2 4.31Å; V223-L360 PolarHBondContact N-O 3.49Å; V223-L360 WeakPolarHBondContact O-CD2 3.43Å; V223-L360 PolarHBondContact O-N 3.02Å; V223-L360 VanDerWaalsContact O-N 3.08Å; V223-A362 HydrophobicContact CG2-CB 3.75Å; V223-I365 HydrophobicContact CG1-CD1 3.76Å; V223-I365 HydrophobicContact CG1-CG1 4.44Å; V223-V384 HydrophobicContact CG1-CG1 3.65Å
224I91.2Very high86.1Confident10 Ų1046.7 Ų46.75%0.05128%0.28CS..EExtended strand (participates in β ladder)trans-109.1113.8167.9-63.9168.3000108.4L42 M57 L217 I226 V357 T358 L359 T385L42-I224 HydrophobicContact CD2-CD1 3.98Å; M57-I224 HydrophobicContact CE-CB 3.7Å; M57-I224 HydrophobicContact CE-CD1 3.29Å; M57-I224 HydrophobicContact CE-CG1 4.06Å; M57-I224 HydrophobicContact CE-CG2 3.47Å; M57-I224 VanDerWaalsContact CE-CG2 3.47Å; M57-I224 HydrophobicContact SD-CD1 3.29Å; M57-I224 WeakPolarHBondContact SD-CD1 3.44Å; L217-I224 HydrophobicContact CD2-CD1 3.73Å; L217-I224 HydrophobicContact CG-CD1 4.42Å; I224-I226 HydrophobicContact CG2-CG1 4.41Å; I224-V357 HydrophobicContact CG2-CG2 3.5Å; I224-V357 VanDerWaalsContact CG2-CG2 3.5Å; I224-T358 WeakPolarHBondContact CA-O 3.27Å; I224-L359 HydrophobicContact CG1-CD1 3.94Å; I224-T385 HydrophobicContact CG2-CG2 4.49Å; I224-T385 PolarHBondContact O-N 2.78Å
225L92.5Very high84.1Confident0 Ų048.1 Ų48.10%028%0.284CS..EExtended strand (participates in β ladder)trans-96.7127.3176.5176.667.5000108.4T358 L360 A368 I369 I372 F382 V384L225-T358 PolarHBondContact N-O 3.17Å; L225-T358 PolarHBondContact O-N 3.36Å; L225-L360 HydrophobicContact CB-CD2 3.5Å; L225-A368 HydrophobicContact CD2-CB 4.29Å; L225-I369 HydrophobicContact CD1-CD1 4.29Å; L225-I369 HydrophobicContact CD1-CG1 4.09Å; L225-I369 HydrophobicContact CD2-CG1 4.23Å; L225-I372 HydrophobicContact CD2-CD1 4.09Å; L225-F382 HydrophobicContact CD1-CB 4.15Å; L225-F382 HydrophobicContact CD1-CD1 4.13Å; L225-F382 HydrophobicContact CD2-CD1 4.41Å; L225-V384 HydrophobicContact CD1-CG2 4.22Å
226I92.2Very high81.8Confident0 Ų054.2 Ų54.20%032%0.322CS..EExtended strand (participates in β ladder)trans-110127.4174.1-54.8177.9000107.1V40 Q59 L143 I224 C355 T356 Y383 T385V40-I226 HydrophobicContact CB-CD1 3.75Å; V40-I226 HydrophobicContact CG1-CD1 3.91Å; V40-I226 HydrophobicContact CG2-CD1 3.88Å; V40-I226 HydrophobicContact CG2-CG1 4.29Å; Q59-I226 HydrophobicContact CG-CD1 3.95Å; L143-I226 HydrophobicContact CD2-CG2 4.2Å; I224-I226 HydrophobicContact CG2-CG1 4.41Å; I226-C355 HydrophobicContact CG2-CB 3.73Å; I226-T356 CarbonylContact C-O 3.58Å; I226-T356 VanDerWaalsContact CA-O 3.27Å; I226-T356 WeakPolarHBondContact CA-O 3.5Å; I226-T356 WeakPolarHBondContact CG2-O 3.44Å; I226-Y383 HydrophobicContact CB-CD2 3.97Å; I226-Y383 HydrophobicContact CG2-CD2 3.77Å; I226-Y383 HydrophobicContact CG2-CE2 4.46Å; I226-Y383 PolarHBondContact N-O 2.92Å; I226-Y383 PolarHBondContact O-N 2.58Å; I226-T385 HydrophobicContact CD1-CG2 3.76Å; I226-T385 HydrophobicContact CG1-CG2 4.33Å
227T93.1Very high80.2Confident0 Ų053.2 Ų53.20%033%0.325CS..EExtended strand (participates in β ladder)trans-118.8111.5-178.8-49.90000109.7L332 C355 T356 I372 P380 F382T227-L332 HydrophobicContact CG2-CD1 4.18Å; T227-L332 HydrophobicContact CG2-CD2 3.75Å; T227-C355 CarbonylContact O-C 3.57Å; T227-C355 WeakPolarHBondContact O-CA 3.47Å; T227-T356 WeakPolarHBondContact CB-OG1 3.32Å; T227-T356 PolarHBondContact N-O 2.61Å; T227-T356 PolarHBondContact O-N 3.1Å; T227-I372 HydrophobicContact CG2-CG2 4.19Å; T227-P380 HydrophobicContact CG2-CB 3.73Å; T227-F382 HydrophobicContact CG2-CD1 3.67Å; T227-F382 HydrophobicContact CG2-CE1 3.43Å; T227-F382 VanDerWaalsContact CG2-CE1 3.43Å; T227-F382 HydrophobicContact CG2-CZ 4.22Å; T227-F382 WeakPolarHBondContact OG1-CD1 3.42Å
228N92.1Very high79.2Confident12 Ų1254.6 Ų54.66%0.06434%0.335CS..EExtended strand (participates in β ladder)trans-80122.9173.3-168.11.4000109.6N230 G354 P380 T381 Y383N228-N230 PolarHBondContact ND2-OD1 2.8Å; N228-N230 PolarHBondContact O-N 3Å; N228-N230 PolarHBondContact OD1-N 3.19Å; N228-G354 PolarHBondContact OD1-O 3.49Å; N228-P380 CarbonylContact O-C 3.58Å; N228-P380 VanDerWaalsContact O-CA 3.26Å; N228-P380 WeakPolarHBondContact O-CA 3.2Å; N228-T381 PolarHBondContact N-O 2.95Å; N228-T381 PolarHBondContact O-N 3.42Å; N228-Y383 HydrophobicContact CB-CE2 3.76Å; N228-Y383 PolarHBondContact ND2-OH 2.63Å
229S92.6Very high79Confident1 Ų153.2 Ų53.21%0.00732%0.316CS..EExtended strand (participates in β ladder)trans-63.1-20.7170.661.70000112.7I231 G354 Y376S229-I231 PolarHBondContact O-N 3.15Å; S229-I231 PolarHBondContact OG-N 3.48Å; S229-I231 PolarHBondContact OG-O 2.77Å; S229-G354 WeakPolarHBondContact CB-O 3.5Å; S229-G354 PolarHBondContact N-O 3.16Å; S229-G354 PolarHBondContact OG-N 2.84Å; S229-G354 PolarHBondContact OG-O 2.97Å; S229-Y376 PolarHBondContact O-OH 2.8Å; S229-Y376 VanDerWaalsContact O-OH 3.14Å
230N89.9Confident78.7Confident74 Ų7453.6 Ų53.640%0.39631%0.313SS..EExtended strand (participates in β ladder)trans57.711.2-168.2-64.3-43.9000113.8N228 T379 T381N228-N230 PolarHBondContact ND2-OD1 2.8Å; N228-N230 PolarHBondContact O-N 3Å; N228-N230 PolarHBondContact OD1-N 3.19Å; N230-T379 PolarHBondContact ND2-O 3.14Å; N230-T381 PolarHBondContact ND2-N 2.85Å; N230-T381 PolarHBondContact ND2-OG1 2.91Å; N230-T381 PolarHBondContact OD1-OG1 3.43Å
231I86.4Confident78.7Confident59 Ų5950 Ų5030%0.30329%0.29SS..EExtended strand (participates in β ladder)trans-100.7132173.2-60.1-52.2000108.8S229 E328 G353 G354S229-I231 PolarHBondContact O-N 3.15Å; S229-I231 PolarHBondContact OG-N 3.48Å; S229-I231 PolarHBondContact OG-O 2.77Å; I231-E328 HydrophobicContact CB-CG 4.31Å; I231-E328 HydrophobicContact CG1-CG 3.98Å; I231-E328 HydrophobicContact CG2-CG 4.44Å; I231-G353 WeakPolarHBondContact O-CA 3.42Å; I231-G354 PolarHBondContact O-N 3.4Å
232K74.1Confident78.7Confident128 Ų12848.2 Ų48.256%0.55728%0.277SS*.EExtended strand (participates in β ladder)trans-125.6104.8169.6-63.8179.2-172.7174.50106.5L139 G140 S234L139-K232 PolarHBondContact O-NZ 3.19Å; G140-K232 WeakPolarHBondContact O-CE 3.18Å; K232-S234 PolarHBondContact O-N 2.96Å
233H68.2Low78.8Confident87 Ų8748.1 Ų48.140%0.40328%0.275SS..  trans-65.6127.8168.8-71.4-68.2000107.4L235 E328 F352H233-L235 PolarHBondContact O-N 2.95Å; H233-E328 IonicContact CE1-OE1 2.84Å; H233-E328 IonicContact NE2-OE1 2.89Å; H233-E328 PolarHBondContact NE2-OE1 3.07Å; H233-E328 IonicContact NE2-OE2 3.72Å; H233-E328 PolarHBondContact NE2-OE2 3.11Å; H233-E328 VanDerWaalsContact NE2-OE2 3.11Å; H233-F352 WeakPolarHBondContact CB-O 3.42Å; H233-F352 PolarHBondContact CD2-O 3.1Å; H233-F352 PolarHBondContact N-O 3.35Å
234S51Low78.9Confident122 Ų12250.7 Ų50.785%0.85328%0.282SS*.  trans-69.776176.351.90000108.9K232 T236K232-S234 PolarHBondContact O-N 2.96Å; S234-T236 PolarHBondContact O-N 2.87Å
235L50.6Low78.9Confident72 Ų7256.4 Ų56.438%0.37730%0.303SS..  trans-64.8134.1166.7-58.9178.5000106.8H233 G237 E239 F352H233-L235 PolarHBondContact O-N 2.95Å; L235-G237 PolarHBondContact O-N 2.9Å; L235-E239 HydrophobicContact CD1-CB 4.12Å; L235-E239 HydrophobicContact CD1-CG 4.25Å; L235-E239 HydrophobicContact CD2-CG 3.82Å; L235-E239 HydrophobicContact CG-CG 4.46Å; L235-F352 HydrophobicContact CD1-CB 3.59Å; L235-F352 HydrophobicContact CD1-CD1 4.16Å; L235-F352 HydrophobicContact CD1-CD2 3.23Å; L235-F352 HydrophobicContact CD1-CE2 3.84Å; L235-F352 HydrophobicContact CD1-CG 3.4Å; L235-F352 HydrophobicContact CD1-CZ 4.5Å; L235-F352 HydrophobicContact CD2-CB 4.12Å; L235-F352 HydrophobicContact CD2-CD1 3.97Å; L235-F352 HydrophobicContact CD2-CE1 4.48Å; L235-F352 HydrophobicContact CD2-CG 3.97Å; L235-F352 HydrophobicContact CG-CB 4.04Å; L235-F352 HydrophobicContact CG-CD2 4.4Å; L235-F352 HydrophobicContact CG-CG 4.13Å
236T42.6Very low79Confident128 Ų12858.2 Ų58.279%0.78531%0.311SS*.  trans-63.716.9174.241.20000113.6S234 S238S234-T236 PolarHBondContact O-N 2.87Å; T236-S238 PolarHBondContact O-N 3.4Å; T236-S238 PolarHBondContact OG1-OG 3.34Å
237G57.9Low79.1Confident54 Ų5458.3 Ų58.356%0.55731%0.312SS*.SBendtrans71.4-2.8-172.900000114.1L235 P241L235-G237 PolarHBondContact O-N 2.9Å; G237-P241 WeakPolarHBondContact O-CD 3.37Å; G237-P241 WeakPolarHBondContact O-CG 3.38Å
238S64.5Low79.1Confident43 Ų4362.8 Ų62.830%0.30133%0.333SS..  trans-83-26.1-172.3520000114.5T236 P241 T242T236-S238 PolarHBondContact O-N 3.4Å; T236-S238 PolarHBondContact OG1-OG 3.34Å; S238-P241 WeakPolarHBondContact O-CD 3.43Å; S238-T242 VanDerWaalsContact O-CB 3.31Å; S238-T242 WeakPolarHBondContact O-CB 3.4Å; S238-T242 PolarHBondContact O-N 3.17Å; S238-T242 PolarHBondContact O-OG1 2.8Å
239E79.9Confident79.3Confident52 Ų5267 Ų6724%0.24335%0.352CS..Hα-helixtrans-66.7-45-171.1-69.6-48.9114.500113.3L235 T242 R243 F352L235-E239 HydrophobicContact CD1-CB 4.12Å; L235-E239 HydrophobicContact CD1-CG 4.25Å; L235-E239 HydrophobicContact CD2-CG 3.82Å; L235-E239 HydrophobicContact CG-CG 4.46Å; E239-T242 WeakPolarHBondContact O-CB 3.16Å; E239-T242 PolarHBondContact O-N 3.24Å; E239-T242 VanDerWaalsContact O-N 3.16Å; E239-R243 WeakPolarHBondContact O-CG 3.34Å; E239-R243 PolarHBondContact O-N 3.4Å; E239-R243 IonicContact OE2-CZ 2.66Å; E239-R243 IonicContact OE2-NH1 2.73Å; E239-R243 PolarHBondContact OE2-NH1 2.99Å; E239-R243 IonicContact OE2-NH2 3.23Å; E239-F352 HydrophobicContact CB-CE2 3.94Å; E239-F352 HydrophobicContact CB-CZ 3.8Å; E239-F352 HydrophobicContact CG-CE1 4.36Å; E239-F352 HydrophobicContact CG-CZ 4.05Å
240Y79.9Confident79.4Confident59 Ų5967 Ų6723%0.23135%0.352CS..Hα-helixtrans-63-50179.5-175.3-79.4000111.9Y49 T242 R243 R244Y49-Y240 HydrophobicContact CD1-CE1 4.44Å; Y49-Y240 AromaticContact CD1-CZ 3.83Å; Y49-Y240 WeakPolarHBondContact CD1-OH 3.23Å; Y49-Y240 HydrophobicContact CE1-CE1 4.33Å; Y49-Y240 AromaticContact CE1-CE2 3.92Å; Y49-Y240 HydrophobicContact CE1-CE2 3.92Å; Y49-Y240 AromaticContact CE1-CZ 3.61Å; Y49-Y240 WeakPolarHBondContact CE1-OH 3.35Å; Y240-T242 VanDerWaalsContact C-N 3.26Å; Y240-T242 PolarHBondContact O-N 3.24Å; Y240-R243 PolarHBondContact O-N 2.77Å; Y240-R244 PolarHBondContact O-N 2.73Å
241P84.9Confident79.6Confident44 Ų4463.7 Ų63.729%0.28634%0.335SS..Hα-helixtrans-57.8-34.1170.3-25.734000114.2G237 S238 R245G237-P241 WeakPolarHBondContact O-CD 3.37Å; G237-P241 WeakPolarHBondContact O-CG 3.38Å; S238-P241 WeakPolarHBondContact O-CD 3.43Å; P241-R245 WeakPolarHBondContact O-CB 3.48Å; P241-R245 WeakPolarHBondContact O-CG 3.44Å; P241-R245 PolarHBondContact O-N 2.9Å; P241-R245 PolarHBondContact O-NE 2.87Å
242T90.2Very high80Confident25 Ų2565.2 Ų65.215%0.15335%0.351CS..Hα-helixtrans-66.3-45.7175.2-63.90000111.5S238 E239 Y240 R244 R245 H246S238-T242 VanDerWaalsContact O-CB 3.31Å; S238-T242 WeakPolarHBondContact O-CB 3.4Å; S238-T242 PolarHBondContact O-N 3.17Å; S238-T242 PolarHBondContact O-OG1 2.8Å; E239-T242 WeakPolarHBondContact O-CB 3.16Å; E239-T242 PolarHBondContact O-N 3.24Å; E239-T242 VanDerWaalsContact O-N 3.16Å; Y240-T242 VanDerWaalsContact C-N 3.26Å; Y240-T242 PolarHBondContact O-N 3.24Å; T242-R244 VanDerWaalsContact C-N 3.32Å; T242-R244 PolarHBondContact O-N 3.21Å; T242-R245 PolarHBondContact O-N 3.28Å; T242-R245 PolarHBondContact OG1-NH2 2.92Å; T242-H246 WeakPolarHBondContact CG2-NE2 3.21Å; T242-H246 PolarHBondContact O-CD2 3.2Å; T242-H246 PolarHBondContact O-N 2.81Å
243R91.5Very high80.9Confident16 Ų1662 Ų626%0.0635%0.348CS..Hα-helixtrans-60.7-41.7176.5-68.8-59177.1-70.6-2.5112E239 Y240 H246 C247 Y322 E323 V324E239-R243 WeakPolarHBondContact O-CG 3.34Å; E239-R243 PolarHBondContact O-N 3.4Å; E239-R243 IonicContact OE2-CZ 2.66Å; E239-R243 IonicContact OE2-NH1 2.73Å; E239-R243 PolarHBondContact OE2-NH1 2.99Å; E239-R243 IonicContact OE2-NH2 3.23Å; Y240-R243 PolarHBondContact O-N 2.77Å; R243-H246 PolarHBondContact O-N 2.89Å; R243-C247 PolarHBondContact O-N 3.48Å; R243-C247 PolarHBondContact O-SG 3.02Å; R243-Y322 HydrophobicContact CB-CE1 3.84Å; R243-Y322 HydrophobicContact CG-CD1 4.45Å; R243-Y322 HydrophobicContact CG-CE1 3.83Å; R243-Y322 PolarHBondContact NE-O 3.33Å; R243-E323 PolarHBondContact NH2-O 3.02Å; R243-V324 HydrophobicContact CG-CG1 4.2Å
244R90.5Very high82.1Confident78 Ų7859.5 Ų59.529%0.29434%0.338SS..Hα-helixtrans-59.8-49.3173.7-178.7173.9171.8161.21.2111.9Y49 Y240 T242 H246 C247 E248Y49-R244 HydrophobicContact CD2-CB 4.34Å; Y49-R244 HydrophobicContact CD2-CG 4.11Å; Y49-R244 HydrophobicContact CE2-CB 4.2Å; Y49-R244 HydrophobicContact CE2-CG 4.44Å; Y240-R244 PolarHBondContact O-N 2.73Å; T242-R244 VanDerWaalsContact C-N 3.32Å; T242-R244 PolarHBondContact O-N 3.21Å; R244-H246 VanDerWaalsContact C-N 3.32Å; R244-H246 PolarHBondContact O-N 3.07Å; R244-C247 WeakPolarHBondContact O-CB 3.34Å; R244-C247 PolarHBondContact O-N 3.41Å; R244-E248 WeakPolarHBondContact CG-OE1 3.35Å; R244-E248 IonicContact CZ-OE1 2.84Å; R244-E248 IonicContact NE-OE1 3.62Å; R244-E248 PolarHBondContact NE-OE1 3.18Å; R244-E248 IonicContact NH2-OE1 3.66Å; R244-E248 WeakPolarHBondContact O-CG 3.43Å; R244-E248 PolarHBondContact O-N 2.97Å
245R92.3Very high84.1Confident130 Ų13057 Ų5749%0.49133%0.331SS..Hα-helixtrans-58.6-40.3176.9-77-179-70.3152.2-3.8112.8P241 T242 C247 E248 Q249P241-R245 WeakPolarHBondContact O-CB 3.48Å; P241-R245 WeakPolarHBondContact O-CG 3.44Å; P241-R245 PolarHBondContact O-N 2.9Å; P241-R245 PolarHBondContact O-NE 2.87Å; T242-R245 PolarHBondContact O-N 3.28Å; T242-R245 PolarHBondContact OG1-NH2 2.92Å; R245-C247 VanDerWaalsContact C-N 3.3Å; R245-C247 PolarHBondContact O-N 3.5Å; R245-E248 PolarHBondContact O-N 3.3Å; R245-Q249 WeakPolarHBondContact O-CB 3.32Å; R245-Q249 VanDerWaalsContact O-CG 3.25Å; R245-Q249 WeakPolarHBondContact O-CG 3.49Å; R245-Q249 PolarHBondContact O-N 2.85Å
246H94.7Very high86.3Confident39 Ų3956.7 Ų56.718%0.18133%0.326CS..Hα-helixtrans-61.6-38.9175.5-64.8173.3000112T242 R243 R244 Q249 A250 R281T242-H246 WeakPolarHBondContact CG2-NE2 3.21Å; T242-H246 PolarHBondContact O-CD2 3.2Å; T242-H246 PolarHBondContact O-N 2.81Å; R243-H246 PolarHBondContact O-N 2.89Å; R244-H246 VanDerWaalsContact C-N 3.32Å; R244-H246 PolarHBondContact O-N 3.07Å; H246-Q249 PolarHBondContact O-N 2.72Å; H246-A250 PolarHBondContact O-N 2.77Å; H246-R281 HydrophobicContact CB-CB 4.27Å; H246-R281 HydrophobicContact CB-CG 4.06Å
247C94.4Very high88.6Confident1 Ų158 Ų581%0.00733%0.328CS..Hα-helixtrans-68.7-42.3177.5-59.30000111.8N50 R243 R244 R245 Q249 A250 A251 L259 Y322N50-C247 WeakPolarHBondContact OD1-CB 3.48Å; R243-C247 PolarHBondContact O-N 3.48Å; R243-C247 PolarHBondContact O-SG 3.02Å; R244-C247 WeakPolarHBondContact O-CB 3.34Å; R244-C247 PolarHBondContact O-N 3.41Å; R245-C247 VanDerWaalsContact C-N 3.3Å; R245-C247 PolarHBondContact O-N 3.5Å; C247-Q249 VanDerWaalsContact C-N 3.33Å; C247-Q249 PolarHBondContact O-N 2.79Å; C247-A250 PolarHBondContact O-N 2.91Å; C247-A251 WeakPolarHBondContact O-CB 3.48Å; C247-A251 PolarHBondContact O-N 2.73Å; C247-L259 HydrophobicContact CB-CD1 3.72Å; C247-Y322 PolarHBondContact SG-OH 3.4Å
248E93.6Very high90.4Very high95 Ų9555.7 Ų55.744%0.44430%0.304SS..Hα-helixtrans-61.2-41.8175.3-69.2166.9178.300111.2R244 R245 A251 S252R244-E248 WeakPolarHBondContact CG-OE1 3.35Å; R244-E248 IonicContact CZ-OE1 2.84Å; R244-E248 IonicContact NE-OE1 3.62Å; R244-E248 PolarHBondContact NE-OE1 3.18Å; R244-E248 IonicContact NH2-OE1 3.66Å; R244-E248 WeakPolarHBondContact O-CG 3.43Å; R244-E248 PolarHBondContact O-N 2.97Å; R245-E248 PolarHBondContact O-N 3.3Å; E248-A251 PolarHBondContact O-N 2.73Å; E248-S252 WeakPolarHBondContact O-CB 3.16Å; E248-S252 PolarHBondContact O-N 3.44Å
249Q94.6Very high91.9Very high100 Ų10053.7 Ų53.747%0.46729%0.29SS..Hα-helixtrans-62.7-44.4174.5-74.8171.7-25.900112.3R245 H246 C247 S252 A253 I278R245-Q249 WeakPolarHBondContact O-CB 3.32Å; R245-Q249 VanDerWaalsContact O-CG 3.25Å; R245-Q249 WeakPolarHBondContact O-CG 3.49Å; R245-Q249 PolarHBondContact O-N 2.85Å; H246-Q249 PolarHBondContact O-N 2.72Å; C247-Q249 VanDerWaalsContact C-N 3.33Å; C247-Q249 PolarHBondContact O-N 2.79Å; Q249-S252 PolarHBondContact O-N 3.37Å; Q249-A253 WeakPolarHBondContact O-CB 3.19Å; Q249-A253 PolarHBondContact O-N 3Å; Q249-I278 HydrophobicContact CB-CD1 4.15Å
250A95.2Very high92.6Very high0 Ų053 Ų530%029%0.285CS..Hα-helixtrans-61.7-47.8176.700000112H246 C247 S252 A253 L254 L259 I278 A282H246-A250 PolarHBondContact O-N 2.77Å; C247-A250 PolarHBondContact O-N 2.91Å; A250-S252 PolarHBondContact O-N 3.43Å; A250-A253 PolarHBondContact O-N 2.76Å; A250-L254 WeakPolarHBondContact O-CD1 3.2Å; A250-L254 WeakPolarHBondContact O-CG 3.25Å; A250-L254 PolarHBondContact O-N 3.02Å; A250-L254 VanDerWaalsContact O-N 3.13Å; A250-L259 HydrophobicContact CB-CD2 3.93Å; A250-I278 HydrophobicContact CB-CG2 3.63Å; A250-A282 HydrophobicContact CB-CB 3.67Å
251A95.1Very high93.3Very high5 Ų553 Ų534%0.04129%0.289CS..Hα-helixtrans-60.6-45.1178.100000111.4C247 E248 A253 L254 G255 K256 L259C247-A251 WeakPolarHBondContact O-CB 3.48Å; C247-A251 PolarHBondContact O-N 2.73Å; E248-A251 PolarHBondContact O-N 2.73Å; A251-A253 PolarHBondContact O-N 2.99Å; A251-L254 CarbonylContact O-C 3.54Å; A251-L254 PolarHBondContact O-N 2.61Å; A251-G255 PolarHBondContact O-N 2.96Å; A251-K256 CarbonylContact C-O 3.55Å; A251-K256 PolarHBondContact O-N 3.1Å; A251-L259 HydrophobicContact CB-CD2 4.17Å; A251-L259 HydrophobicContact CB-CG 4.38Å
252S94.2Very high93.8Very high92 Ų9251.3 Ų51.364%0.64328%0.278SS*.Hα-helixtrans-62.7-41.9177.3-179.80000112.8E248 Q249 A250 L254 G255E248-S252 WeakPolarHBondContact O-CB 3.16Å; E248-S252 PolarHBondContact O-N 3.44Å; Q249-S252 PolarHBondContact O-N 3.37Å; A250-S252 PolarHBondContact O-N 3.43Å; S252-L254 PolarHBondContact O-N 2.98Å; S252-G255 PolarHBondContact O-N 2.72Å; S252-G255 VanDerWaalsContact O-N 3.1Å
253A92.8Very high94Very high60 Ų6053.6 Ų53.650%0.49629%0.292SS..Hα-helixtrans-65.5-26.3177.500000112.8Q249 A250 A251 L274Q249-A253 WeakPolarHBondContact O-CB 3.19Å; Q249-A253 PolarHBondContact O-N 3Å; A250-A253 PolarHBondContact O-N 2.76Å; A251-A253 PolarHBondContact O-N 2.99Å; A253-L274 HydrophobicContact CB-CD2 3.56Å
254L93.3Very high94.1Very high35 Ų3556.2 Ų56.218%0.18331%0.306CS..THydrogen-bonded Turntrans-90.9-1.9175.4-73162.4000113.5A250 A251 S252 K256 V262 L267 A270A250-L254 WeakPolarHBondContact O-CD1 3.2Å; A250-L254 WeakPolarHBondContact O-CG 3.25Å; A250-L254 PolarHBondContact O-N 3.02Å; A250-L254 VanDerWaalsContact O-N 3.13Å; A251-L254 CarbonylContact O-C 3.54Å; A251-L254 PolarHBondContact O-N 2.61Å; S252-L254 PolarHBondContact O-N 2.98Å; L254-K256 VanDerWaalsContact C-N 3.32Å; L254-K256 HydrophobicContact CB-CG 4.39Å; L254-K256 PolarHBondContact O-N 2.7Å; L254-V262 HydrophobicContact CB-CG2 4.36Å; L254-V262 HydrophobicContact CD1-CB 4.4Å; L254-V262 HydrophobicContact CD1-CG1 3.66Å; L254-V262 HydrophobicContact CD1-CG2 3.8Å; L254-L267 HydrophobicContact CD1-CD1 4.21Å; L254-A270 HydrophobicContact CD2-CB 3.37Å; L254-A270 HydrophobicContact CG-CB 4.36Å
255G94.4Very high94.4Very high68 Ų6859.3 Ų59.370%0.70132%0.322SS*.THydrogen-bonded Turntrans65.830.9-179.100000113.9A251 S252A251-G255 PolarHBondContact O-N 2.96Å; S252-G255 PolarHBondContact O-N 2.72Å; S252-G255 VanDerWaalsContact O-N 3.1Å
256K94.9Very high94.5Very high66 Ų6656 Ų5629%0.28731%0.312SS..  trans-114.9151.8177-55.7-65.9178.9126.40110.3A251 L254 S258 D261 V262 E266A251-K256 CarbonylContact C-O 3.55Å; A251-K256 PolarHBondContact O-N 3.1Å; L254-K256 VanDerWaalsContact C-N 3.32Å; L254-K256 HydrophobicContact CB-CG 4.39Å; L254-K256 PolarHBondContact O-N 2.7Å; K256-S258 VanDerWaalsContact C-N 3.27Å; K256-S258 PolarHBondContact O-N 3.37Å; K256-D261 HydrophobicContact CB-CB 4.48Å; K256-D261 HydrophobicContact CD-CB 4.24Å; K256-D261 PolarHBondContact NZ-O 3.02Å; K256-V262 HydrophobicContact CB-CG2 4.1Å; K256-V262 HydrophobicContact CG-CG2 3.72Å; K256-E266 WeakPolarHBondContact CE-OE1 3.33Å; K256-E266 IonicContact NZ-OE1 3.63Å; K256-E266 PolarHBondContact NZ-OE1 3.27Å; K256-E266 IonicContact NZ-OE2 2.94Å
257D92.4Very high94.5Very high155 Ų15554.1 Ų54.183%0.82930%0.303SS*.SBendtrans-69.9-28.9175.3-65.7-26.9000111.9
258S94.4Very high94.5Very high6 Ų657.6 Ų57.64%0.04232%0.319CS..SBendtrans-152.5155.5-178.5-172.60000111.9N50 K256 R260 D261N50-S258 VanDerWaalsContact C-OG 3.28Å; N50-S258 PolarHBondContact O-OG 3.29Å; K256-S258 VanDerWaalsContact C-N 3.27Å; K256-S258 PolarHBondContact O-N 3.37Å; S258-R260 PolarHBondContact O-N 3.21Å; S258-R260 VanDerWaalsContact O-N 3.17Å; S258-R260 PolarHBondContact OG-N 2.73Å; S258-D261 PolarHBondContact O-N 2.81Å; S258-D261 VanDerWaalsContact O-N 3.13Å
259L95.8Very high94.5Very high1 Ų159.3 Ų59.31%0.00533%0.327CS..G310 helixtrans-62.3-16.9171.2-67-177.9000113C247 A250 A251 D261 V262 A282 V285 I286C247-L259 HydrophobicContact CB-CD1 3.72Å; A250-L259 HydrophobicContact CB-CD2 3.93Å; A251-L259 HydrophobicContact CB-CD2 4.17Å; A251-L259 HydrophobicContact CB-CG 4.38Å; L259-D261 PolarHBondContact O-N 3.31Å; L259-V262 HydrophobicContact CD2-CG2 4.13Å; L259-V262 PolarHBondContact O-N 3.17Å; L259-A282 HydrophobicContact CD1-CB 4.2Å; L259-A282 HydrophobicContact CD2-CB 4.11Å; L259-V285 HydrophobicContact CB-CG1 3.87Å; L259-V285 HydrophobicContact CD1-CB 3.82Å; L259-V285 HydrophobicContact CD1-CG1 3.83Å; L259-V285 HydrophobicContact CD1-CG2 4.09Å; L259-I286 HydrophobicContact CB-CG1 4.49Å
260R95.8Very high94.4Very high38 Ų3854.9 Ų54.914%0.14331%0.308CS..G310 helixtrans-57.9-29171-179.359.1177.1-82.4-8.4113.7Q51 D206 S258 I289Q51-R260 HydrophobicContact CB-CB 4.25Å; Q51-R260 WeakPolarHBondContact O-CD 3.1Å; Q51-R260 WeakPolarHBondContact O-CG 3.42Å; Q51-R260 PolarHBondContact O-NH1 2.89Å; D206-R260 IonicContact OD1-CZ 3.74Å; D206-R260 IonicContact OD1-NH1 3.64Å; D206-R260 PolarHBondContact OD1-NH1 3.29Å; D206-R260 IonicContact OD1-NH2 2.89Å; D206-R260 IonicContact OD2-CZ 2.79Å; D206-R260 IonicContact OD2-NH1 3.54Å; D206-R260 PolarHBondContact OD2-NH1 2.84Å; D206-R260 IonicContact OD2-NH2 3.05Å; D206-R260 PolarHBondContact OD2-NH2 3.42Å; S258-R260 PolarHBondContact O-N 3.21Å; S258-R260 VanDerWaalsContact O-N 3.17Å; S258-R260 PolarHBondContact OG-N 2.73Å; R260-I289 HydrophobicContact CB-CD1 4.48Å
261D94.6Very high94.2Very high60 Ų6060 Ų6032%0.32133%0.33SS..G310 helixtrans-99.710-177.3-57.5-48000113R208 K256 S258 L259R208-D261 IonicContact NH1-OD1 2.98Å; R208-D261 PolarHBondContact NH1-OD1 3.43Å; R208-D261 IonicContact NH1-OD2 3.45Å; K256-D261 HydrophobicContact CB-CB 4.48Å; K256-D261 HydrophobicContact CD-CB 4.24Å; K256-D261 PolarHBondContact NZ-O 3.02Å; S258-D261 PolarHBondContact O-N 2.81Å; S258-D261 VanDerWaalsContact O-N 3.13Å; L259-D261 PolarHBondContact O-N 3.31Å
262V94.8Very high94Very high8 Ų869.3 Ų69.35%0.04837%0.373CS..  trans-103.2127.6177.6-178.50000109.4L254 K256 L259 E266 L267 I286L254-V262 HydrophobicContact CB-CG2 4.36Å; L254-V262 HydrophobicContact CD1-CB 4.4Å; L254-V262 HydrophobicContact CD1-CG1 3.66Å; L254-V262 HydrophobicContact CD1-CG2 3.8Å; K256-V262 HydrophobicContact CB-CG2 4.1Å; K256-V262 HydrophobicContact CG-CG2 3.72Å; L259-V262 HydrophobicContact CD2-CG2 4.13Å; L259-V262 PolarHBondContact O-N 3.17Å; V262-E266 HydrophobicContact CG1-CB 4.29Å; V262-L267 HydrophobicContact CG1-CB 4.33Å; V262-I286 HydrophobicContact CB-CD1 3.81Å; V262-I286 HydrophobicContact CB-CG1 4.22Å; V262-I286 HydrophobicContact CG1-CD1 3.45Å; V262-I286 VanDerWaalsContact CG1-CD1 3.45Å; V262-I286 HydrophobicContact CG1-CG1 4.35Å
263T95.1Very high93.7Very high73 Ų7373 Ų7345%0.44838%0.378SS..  trans-87.715617064.40000111.3K265 E266 L267T263-K265 PolarHBondContact O-N 3.15Å; T263-E266 WeakPolarHBondContact CB-OE2 3.37Å; T263-E266 PolarHBondContact N-OE2 2.86Å; T263-E266 PolarHBondContact O-N 3.21Å; T263-E266 VanDerWaalsContact O-N 3.16Å; T263-E266 WeakPolarHBondContact OG1-CG 3.44Å; T263-E266 PolarHBondContact OG1-N 3.28Å; T263-E266 PolarHBondContact OG1-OE2 2.77Å; T263-L267 PolarHBondContact O-N 2.9Å
264I94.1Very high93.7Very high70 Ų7071.1 Ų71.136%0.35936%0.359SS..Hα-helixtrans-57.5-34176.1-16463.9000111.9L267 E268 R283 E287I264-L267 HydrophobicContact CD1-CD2 4.17Å; I264-L267 WeakPolarHBondContact O-CB 3.45Å; I264-L267 PolarHBondContact O-N 3.22Å; I264-E268 WeakPolarHBondContact O-CG 3.46Å; I264-E268 PolarHBondContact O-N 2.8Å; I264-R283 HydrophobicContact CD1-CG 4.1Å; I264-E287 HydrophobicContact CD1-CG 4.2Å
265K95.3Very high93.8Very high144 Ų14474 Ų7463%0.62638%0.375SS*.Hα-helixtrans-64.6-47.2178-171.7-174.6177.1-160.70111.7T263 L267 E268 E269T263-K265 PolarHBondContact O-N 3.15Å; K265-L267 VanDerWaalsContact C-N 3.26Å; K265-L267 PolarHBondContact O-N 2.93Å; K265-E268 PolarHBondContact O-N 2.65Å; K265-E269 WeakPolarHBondContact CE-OE1 3.5Å; K265-E269 IonicContact NZ-OE1 2.79Å; K265-E269 WeakPolarHBondContact O-CG 3.47Å; K265-E269 PolarHBondContact O-N 2.88Å
266E94.6Very high93.8Very high59 Ų5975.2 Ų75.228%0.27637%0.365SS..Hα-helixtrans-60.9-37.4175.5-72.7165.1130.900111.3K256 V262 T263 A270K256-E266 WeakPolarHBondContact CE-OE1 3.33Å; K256-E266 IonicContact NZ-OE1 3.63Å; K256-E266 PolarHBondContact NZ-OE1 3.27Å; K256-E266 IonicContact NZ-OE2 2.94Å; V262-E266 HydrophobicContact CG1-CB 4.29Å; T263-E266 WeakPolarHBondContact CB-OE2 3.37Å; T263-E266 PolarHBondContact N-OE2 2.86Å; T263-E266 PolarHBondContact O-N 3.21Å; T263-E266 VanDerWaalsContact O-N 3.16Å; T263-E266 WeakPolarHBondContact OG1-CG 3.44Å; T263-E266 PolarHBondContact OG1-N 3.28Å; T263-E266 PolarHBondContact OG1-OE2 2.77Å; E266-A270 WeakPolarHBondContact O-CB 3.34Å; E266-A270 PolarHBondContact O-N 3.3Å; E266-A270 VanDerWaalsContact O-N 3.15Å
267L95.4Very high93.8Very high0 Ų074.2 Ų74.20%036%0.364CS..Hα-helixtrans-65.2-45.7175.8-176.371.1000112.2L254 V262 T263 I264 K265 E269 A270 K271 L274 Y279 A282 R283 I286L254-L267 HydrophobicContact CD1-CD1 4.21Å; V262-L267 HydrophobicContact CG1-CB 4.33Å; T263-L267 PolarHBondContact O-N 2.9Å; I264-L267 HydrophobicContact CD1-CD2 4.17Å; I264-L267 WeakPolarHBondContact O-CB 3.45Å; I264-L267 PolarHBondContact O-N 3.22Å; K265-L267 VanDerWaalsContact C-N 3.26Å; K265-L267 PolarHBondContact O-N 2.93Å; L267-E269 VanDerWaalsContact C-N 3.33Å; L267-E269 PolarHBondContact O-N 3.42Å; L267-A270 CarbonylContact O-C 3.59Å; L267-A270 PolarHBondContact O-N 2.99Å; L267-A270 VanDerWaalsContact O-N 3.16Å; L267-K271 PolarHBondContact O-N 3.34Å; L267-K271 VanDerWaalsContact O-N 3.16Å; L267-L274 HydrophobicContact CD1-CD1 3.71Å; L267-Y279 HydrophobicContact CD1-CD2 4.01Å; L267-Y279 HydrophobicContact CD1-CE2 4.43Å; L267-Y279 HydrophobicContact CD2-CD2 4.2Å; L267-Y279 HydrophobicContact CD2-CE2 3.98Å; L267-Y279 HydrophobicContact CG-CD2 3.85Å; L267-Y279 HydrophobicContact CG-CE2 3.76Å; L267-A282 HydrophobicContact CD1-CB 3.75Å; L267-A282 HydrophobicContact CD2-CB 4.42Å; L267-R283 VanDerWaalsContact CD2-CA 3.46Å; L267-R283 HydrophobicContact CD2-CB 3.63Å; L267-R283 HydrophobicContact CD2-CG 4.2Å; L267-I286 HydrophobicContact CB-CD1 4.13Å; L267-I286 HydrophobicContact CD1-CD1 4.4Å; L267-I286 HydrophobicContact CD2-CD1 3.96Å; L267-I286 HydrophobicContact CG-CD1 4.38Å
268E94.5Very high94Very high74 Ų7468.1 Ų68.135%0.34633%0.331SS..Hα-helixtrans-62.4-40.5177.5-68.5-55.114600111.8I264 K265 A270 K271 Y279 R283I264-E268 WeakPolarHBondContact O-CG 3.46Å; I264-E268 PolarHBondContact O-N 2.8Å; K265-E268 PolarHBondContact O-N 2.65Å; E268-A270 PolarHBondContact O-N 3.04Å; E268-K271 VanDerWaalsContact O-CB 3.24Å; E268-K271 WeakPolarHBondContact O-CB 3.49Å; E268-K271 PolarHBondContact O-N 3.06Å; E268-Y279 PolarHBondContact OE1-OH 3.48Å; E268-Y279 PolarHBondContact OE2-OH 3.33Å; E268-R283 IonicContact OE1-CZ 3.94Å; E268-R283 IonicContact OE1-NH1 3.72Å; E268-R283 PolarHBondContact OE1-NH1 3.03Å
269E94.1Very high94.2Very high131 Ų13168.3 Ų68.361%0.61233%0.331SS*.Hα-helixtrans-65.1-25175.9-71.8173.1-178.800112.8K265 L267K265-E269 WeakPolarHBondContact CE-OE1 3.5Å; K265-E269 IonicContact NZ-OE1 2.79Å; K265-E269 WeakPolarHBondContact O-CG 3.47Å; K265-E269 PolarHBondContact O-N 2.88Å; L267-E269 VanDerWaalsContact C-N 3.33Å; L267-E269 PolarHBondContact O-N 3.42Å
270A91.4Very high94.2Very high8 Ų870.7 Ų70.77%0.06634%0.34CS..THydrogen-bonded Turntrans-96.13.8177.500000114L254 E266 L267 E268 E272 K273 L274L254-A270 HydrophobicContact CD2-CB 3.37Å; L254-A270 HydrophobicContact CG-CB 4.36Å; E266-A270 WeakPolarHBondContact O-CB 3.34Å; E266-A270 PolarHBondContact O-N 3.3Å; E266-A270 VanDerWaalsContact O-N 3.15Å; L267-A270 CarbonylContact O-C 3.59Å; L267-A270 PolarHBondContact O-N 2.99Å; L267-A270 VanDerWaalsContact O-N 3.16Å; E268-A270 PolarHBondContact O-N 3.04Å; A270-E272 VanDerWaalsContact C-N 3.28Å; A270-E272 PolarHBondContact O-N 3.23Å; A270-K273 WeakPolarHBondContact O-CA 3.25Å; A270-K273 WeakPolarHBondContact O-CB 3.43Å; A270-K273 PolarHBondContact O-N 3.36Å; A270-L274 HydrophobicContact CB-CD1 4.46Å; A270-L274 PolarHBondContact O-N 3.48Å
271K91.7Very high94.3Very high106 Ų10669.2 Ų69.246%0.46134%0.335SS..G310 helixtrans-54.8-40.4-173.9-174.9174.7-176.8174.60113.6L267 E268 K273 L274 Y279L267-K271 PolarHBondContact O-N 3.34Å; L267-K271 VanDerWaalsContact O-N 3.16Å; E268-K271 VanDerWaalsContact O-CB 3.24Å; E268-K271 WeakPolarHBondContact O-CB 3.49Å; E268-K271 PolarHBondContact O-N 3.06Å; K271-K273 PolarHBondContact O-N 3.42Å; K271-L274 PolarHBondContact O-N 3.02Å; K271-Y279 HydrophobicContact CB-CD2 4.16Å; K271-Y279 HydrophobicContact CB-CE2 3.98Å; K271-Y279 HydrophobicContact CD-CE1 4.49Å; K271-Y279 HydrophobicContact CD-CE2 4.08Å; K271-Y279 HydrophobicContact CG-CD2 3.97Å; K271-Y279 HydrophobicContact CG-CE2 3.84Å; K271-Y279 HydrophobicContact CG-CG 4.42Å
272E90.9Very high94.4Very high201 Ų20166.4 Ų66.494%0.93932%0.319SS*.G310 helixtrans-72.8-15.5178.9-63-174.5169.400113.7A270A270-E272 VanDerWaalsContact C-N 3.28Å; A270-E272 PolarHBondContact O-N 3.23Å
273K88.4Confident94.6Very high171 Ų17169.7 Ų69.774%0.74333%0.331SS*.G310 helixtrans-93.2-13.7180-59.5176.8-177.2170.70112.8A270 K271A270-K273 WeakPolarHBondContact O-CA 3.25Å; A270-K273 WeakPolarHBondContact O-CB 3.43Å; A270-K273 PolarHBondContact O-N 3.36Å; K271-K273 PolarHBondContact O-N 3.42Å
274L91.8Very high94.7Very high20 Ų2066.2 Ų66.211%0.10531%0.31CS..SBendtrans-106.6143.8-176.4-66.2174000110.1A253 L267 A270 K271 I278 Y279A253-L274 HydrophobicContact CB-CD2 3.56Å; L267-L274 HydrophobicContact CD1-CD1 3.71Å; A270-L274 HydrophobicContact CB-CD1 4.46Å; A270-L274 PolarHBondContact O-N 3.48Å; K271-L274 PolarHBondContact O-N 3.02Å; L274-I278 HydrophobicContact CD2-CG2 4.04Å; L274-Y279 HydrophobicContact CD1-CD2 4.49Å
275D94.7Very high94.9Very high96 Ų9662.9 Ų62.951%0.51329%0.293SS..  trans-60.2146163.4175.8-97.7000110.2V277 I278 Y279D275-V277 VanDerWaalsContact C-N 3.27Å; D275-V277 PolarHBondContact O-N 2.95Å; D275-V277 WeakPolarHBondContact OD1-CB 3.35Å; D275-V277 PolarHBondContact OD1-N 3.28Å; D275-I278 HydrophobicContact CB-CB 4.3Å; D275-I278 HydrophobicContact CB-CD1 4.03Å; D275-I278 HydrophobicContact CB-CG1 4.11Å; D275-I278 PolarHBondContact O-N 2.94Å; D275-I278 VanDerWaalsContact O-N 3.11Å; D275-Y279 WeakPolarHBondContact O-CB 3.37Å; D275-Y279 PolarHBondContact O-N 3.48Å
276D95.1Very high95Very high93 Ų9356.8 Ų56.850%0.49727%0.267SS..Hα-helixtrans-56-41.9-177.2176.979.7000112.3Y279 R280D276-Y279 PolarHBondContact O-N 3.13Å; D276-R280 WeakPolarHBondContact O-CB 3.23Å; D276-R280 WeakPolarHBondContact O-CG 3.35Å; D276-R280 PolarHBondContact O-N 3.29Å; D276-R280 IonicContact OD2-CZ 3.29Å; D276-R280 IonicContact OD2-NE 3.11Å; D276-R280 PolarHBondContact OD2-NE 3.4Å; D276-R280 IonicContact OD2-NH2 3.26Å
277V95.9Very high95.2Very high45 Ų4556.2 Ų56.227%0.27326%0.264SS..Hα-helixtrans-64-47.6179.1-179.20000109.6D275 Y279 R280 R281D275-V277 VanDerWaalsContact C-N 3.27Å; D275-V277 PolarHBondContact O-N 2.95Å; D275-V277 WeakPolarHBondContact OD1-CB 3.35Å; D275-V277 PolarHBondContact OD1-N 3.28Å; V277-Y279 PolarHBondContact O-N 3.17Å; V277-R280 PolarHBondContact O-N 2.9Å; V277-R281 HydrophobicContact CG1-CG 4.46Å; V277-R281 VanDerWaalsContact O-CG 3.31Å; V277-R281 WeakPolarHBondContact O-CG 3.03Å; V277-R281 PolarHBondContact O-N 2.91Å
278I96.1Very high95.3Very high26 Ų2656.2 Ų56.213%0.13326%0.264CS..Hα-helixtrans-61.5-45.6179.8-64.1178.6000110.7Q249 A250 L274 D275 R280 R281 A282Q249-I278 HydrophobicContact CB-CD1 4.15Å; A250-I278 HydrophobicContact CB-CG2 3.63Å; L274-I278 HydrophobicContact CD2-CG2 4.04Å; D275-I278 HydrophobicContact CB-CB 4.3Å; D275-I278 HydrophobicContact CB-CD1 4.03Å; D275-I278 HydrophobicContact CB-CG1 4.11Å; D275-I278 PolarHBondContact O-N 2.94Å; D275-I278 VanDerWaalsContact O-N 3.11Å; I278-R280 PolarHBondContact O-N 2.94Å; I278-R281 PolarHBondContact O-N 3.44Å; I278-A282 WeakPolarHBondContact O-CB 3.41Å; I278-A282 PolarHBondContact O-N 3.4Å
279Y97.3Very high95.5Very high10 Ų1053.4 Ų53.44%0.03925%0.251CS..Hα-helixtrans-58.8-46.7176.2167.7-91.1000111.4L267 E268 K271 L274 D275 D276 V277 R281 A282 R283L267-Y279 HydrophobicContact CD1-CD2 4.01Å; L267-Y279 HydrophobicContact CD1-CE2 4.43Å; L267-Y279 HydrophobicContact CD2-CD2 4.2Å; L267-Y279 HydrophobicContact CD2-CE2 3.98Å; L267-Y279 HydrophobicContact CG-CD2 3.85Å; L267-Y279 HydrophobicContact CG-CE2 3.76Å; E268-Y279 PolarHBondContact OE1-OH 3.48Å; E268-Y279 PolarHBondContact OE2-OH 3.33Å; K271-Y279 HydrophobicContact CB-CD2 4.16Å; K271-Y279 HydrophobicContact CB-CE2 3.98Å; K271-Y279 HydrophobicContact CD-CE1 4.49Å; K271-Y279 HydrophobicContact CD-CE2 4.08Å; K271-Y279 HydrophobicContact CG-CD2 3.97Å; K271-Y279 HydrophobicContact CG-CE2 3.84Å; K271-Y279 HydrophobicContact CG-CG 4.42Å; L274-Y279 HydrophobicContact CD1-CD2 4.49Å; D275-Y279 WeakPolarHBondContact O-CB 3.37Å; D275-Y279 PolarHBondContact O-N 3.48Å; D276-Y279 PolarHBondContact O-N 3.13Å; V277-Y279 PolarHBondContact O-N 3.17Å; Y279-R281 PolarHBondContact O-N 2.88Å; Y279-A282 PolarHBondContact O-N 3.34Å; Y279-R283 WeakPolarHBondContact O-CB 3.3Å; Y279-R283 PolarHBondContact O-N 3.24Å; Y279-R283 PolarHBondContact OH-NH1 2.88Å; Y279-R283 VanDerWaalsContact OH-NH1 3.08Å
280R97.6Very high95.7Very high52 Ų5252.2 Ų52.220%0.19625%0.246CC..Hα-helixtrans-62.9-40.7177.5-71.6-169.7-67.1123.84.3112.2D276 V277 I278 R283 H284 D320 L321 E323D276-R280 WeakPolarHBondContact O-CB 3.23Å; D276-R280 WeakPolarHBondContact O-CG 3.35Å; D276-R280 PolarHBondContact O-N 3.29Å; D276-R280 IonicContact OD2-CZ 3.29Å; D276-R280 IonicContact OD2-NE 3.11Å; D276-R280 PolarHBondContact OD2-NE 3.4Å; D276-R280 IonicContact OD2-NH2 3.26Å; V277-R280 PolarHBondContact O-N 2.9Å; I278-R280 PolarHBondContact O-N 2.94Å; R280-R283 PolarHBondContact O-N 3.15Å; R280-H284 PolarHBondContact O-N 3Å; R280-H284 VanDerWaalsContact O-N 3.1Å; R280-D320 PolarHBondContact NH1-O 2.76Å; R280-D320 VanDerWaalsContact NH1-O 3.14Å; R280-L321 CarbonylContact C-O 3.48Å; R280-L321 HydrophobicContact CB-CD2 4.36Å; R280-L321 WeakPolarHBondContact CB-O 3.4Å; R280-L321 HydrophobicContact CG-CD2 4.2Å; R280-E323 IonicContact CZ-OE1 3.15Å; R280-E323 IonicContact NH1-OE1 2.8Å; R280-E323 PolarHBondContact NH1-OE1 2.85Å; R280-E323 IonicContact NH2-OE1 3.73Å; R280-E323 PolarHBondContact NH2-OE1 3.19Å
281R97.4Very high96Very high7 Ų752.6 Ų52.63%0.02625%0.245CC..Hα-helixtrans-63.2-44.7175.2-62.3-38.9174.6-106-3.2112H246 V277 I278 Y279 V285 L321 Y322 E323H246-R281 HydrophobicContact CB-CB 4.27Å; H246-R281 HydrophobicContact CB-CG 4.06Å; V277-R281 HydrophobicContact CG1-CG 4.46Å; V277-R281 VanDerWaalsContact O-CG 3.31Å; V277-R281 WeakPolarHBondContact O-CG 3.03Å; V277-R281 PolarHBondContact O-N 2.91Å; I278-R281 PolarHBondContact O-N 3.44Å; Y279-R281 PolarHBondContact O-N 2.88Å; R281-V285 WeakPolarHBondContact O-CG2 3.49Å; R281-V285 PolarHBondContact O-N 2.93Å; R281-L321 WeakPolarHBondContact CD-O 3.48Å; R281-L321 PolarHBondContact NH1-O 2.9Å; R281-Y322 HydrophobicContact CB-CD2 4.13Å; R281-Y322 HydrophobicContact CB-CE2 3.87Å; R281-Y322 HydrophobicContact CG-CD2 4.37Å; R281-Y322 HydrophobicContact CG-CE2 4.3Å; R281-Y322 PolarHBondContact NE-O 3.35Å; R281-E323 IonicContact CZ-OE1 3.71Å; R281-E323 VanDerWaalsContact CZ-OE1 3.23Å; R281-E323 IonicContact NH1-OE1 2.84Å; R281-E323 PolarHBondContact NH1-OE1 2.9Å; R281-E323 VanDerWaalsContact NH2-CD 3.26Å; R281-E323 IonicContact NH2-OE1 3.66Å; R281-E323 PolarHBondContact NH2-OE1 2.9Å; R281-E323 IonicContact NH2-OE2 3.61Å
282A97.2Very high96.3Very high0 Ų047.6 Ų47.60%022%0.224CC..Hα-helixtrans-64.4-42.8178.200000111.9A250 L259 L267 I278 Y279 H284 V285 I286A250-A282 HydrophobicContact CB-CB 3.67Å; L259-A282 HydrophobicContact CD1-CB 4.2Å; L259-A282 HydrophobicContact CD2-CB 4.11Å; L267-A282 HydrophobicContact CD1-CB 3.75Å; L267-A282 HydrophobicContact CD2-CB 4.42Å; I278-A282 WeakPolarHBondContact O-CB 3.41Å; I278-A282 PolarHBondContact O-N 3.4Å; Y279-A282 PolarHBondContact O-N 3.34Å; A282-H284 PolarHBondContact O-N 3.17Å; A282-V285 PolarHBondContact O-N 2.75Å; A282-I286 WeakPolarHBondContact O-CD1 3.27Å; A282-I286 WeakPolarHBondContact O-CG1 3.4Å; A282-I286 PolarHBondContact O-N 2.95Å
283R98.1Very high96.6Very high78 Ų7840.1 Ų40.129%0.29419%0.192SC..Hα-helixtrans-57.9-47.8178-173.7172.9177.5148.6-0.9112.1I264 L267 E268 Y279 R280 V285 I286 E287 L321I264-R283 HydrophobicContact CD1-CG 4.1Å; L267-R283 VanDerWaalsContact CD2-CA 3.46Å; L267-R283 HydrophobicContact CD2-CB 3.63Å; L267-R283 HydrophobicContact CD2-CG 4.2Å; E268-R283 IonicContact OE1-CZ 3.94Å; E268-R283 IonicContact OE1-NH1 3.72Å; E268-R283 PolarHBondContact OE1-NH1 3.03Å; Y279-R283 WeakPolarHBondContact O-CB 3.3Å; Y279-R283 PolarHBondContact O-N 3.24Å; Y279-R283 PolarHBondContact OH-NH1 2.88Å; Y279-R283 VanDerWaalsContact OH-NH1 3.08Å; R280-R283 PolarHBondContact O-N 3.15Å; R283-V285 VanDerWaalsContact C-N 3.34Å; R283-V285 PolarHBondContact O-N 2.51Å; R283-I286 PolarHBondContact O-N 2.84Å; R283-E287 HydrophobicContact CG-CG 4.33Å; R283-E287 WeakPolarHBondContact CG-OE1 3.41Å; R283-E287 IonicContact CZ-OE1 3.99Å; R283-E287 IonicContact NE-OE1 2.79Å; R283-E287 PolarHBondContact NE-OE1 3.29Å; R283-E287 IonicContact NH2-OE1 3.58Å; R283-E287 PolarHBondContact NH2-OE1 2.81Å; R283-E287 WeakPolarHBondContact O-CB 3.16Å; R283-E287 WeakPolarHBondContact O-CG 3.37Å; R283-E287 PolarHBondContact O-N 3.03Å; R283-L321 HydrophobicContact CB-CD1 4.35Å; R283-L321 HydrophobicContact CG-CD1 3.97Å
284H98.3Very high97Very high0 Ų035.8 Ų35.80%017%0.174CC..Hα-helixtrans-51.8-54.3174.3168.367.1000111.1E45 R280 A282 I286 E287 E288 S317 L318 L321 Y322E45-H284 PolarHBondContact O-NE2 2.89Å; R280-H284 PolarHBondContact O-N 3Å; R280-H284 VanDerWaalsContact O-N 3.1Å; A282-H284 PolarHBondContact O-N 3.17Å; H284-I286 PolarHBondContact O-N 3.4Å; H284-E287 PolarHBondContact O-N 2.96Å; H284-E288 WeakPolarHBondContact O-CB 3.49Å; H284-E288 PolarHBondContact O-N 3.4Å; H284-S317 WeakPolarHBondContact ND1-CB 3.47Å; H284-S317 PolarHBondContact ND1-OG 3.4Å; H284-L318 VanDerWaalsContact CE1-CD2 3.44Å; H284-L318 WeakPolarHBondContact CE1-CD2 3.24Å; H284-L318 WeakPolarHBondContact NE2-CD2 3.43Å; H284-L321 HydrophobicContact CB-CB 3.94Å; H284-Y322 HydrophobicContact CB-CD2 3.7Å; H284-Y322 HydrophobicContact CB-CG 4.32Å; H284-Y322 AromaticContact CD2-CD2 3.18Å; H284-Y322 WeakPolarHBondContact CD2-CD2 3.48Å; H284-Y322 AromaticContact CD2-CE2 3.72Å; H284-Y322 AromaticContact CD2-CG 3.41Å; H284-Y322 VanDerWaalsContact CD2-CG 3.41Å; H284-Y322 AromaticContact CG-CD2 3.61Å; H284-Y322 AromaticContact CG-CG 3.87Å
285V97.8Very high97.3Very high0 Ų034.8 Ų34.80%017%0.169CC..Hα-helixtrans-61.1-47.1-1751730000111.6N50 L259 R281 A282 R283 E288 I289 Y322N50-V285 HydrophobicContact CB-CG1 3.66Å; L259-V285 HydrophobicContact CB-CG1 3.87Å; L259-V285 HydrophobicContact CD1-CB 3.82Å; L259-V285 HydrophobicContact CD1-CG1 3.83Å; L259-V285 HydrophobicContact CD1-CG2 4.09Å; R281-V285 WeakPolarHBondContact O-CG2 3.49Å; R281-V285 PolarHBondContact O-N 2.93Å; A282-V285 PolarHBondContact O-N 2.75Å; R283-V285 VanDerWaalsContact C-N 3.34Å; R283-V285 PolarHBondContact O-N 2.51Å; V285-E288 PolarHBondContact O-N 3.1Å; V285-I289 HydrophobicContact CG1-CD1 3.92Å; V285-I289 HydrophobicContact CG1-CG1 4.49Å; V285-I289 WeakPolarHBondContact O-CG1 3.36Å; V285-I289 PolarHBondContact O-N 2.86Å; V285-Y322 HydrophobicContact CG2-CE2 3.88Å
286I97.7Very high97.3Very high16 Ų1630.2 Ų30.28%0.08215%0.145CC..Hα-helixtrans-63.4-45.9-178-68.4157.4000110.8L259 V262 L267 A282 R283 H284 Q290L259-I286 HydrophobicContact CB-CG1 4.49Å; V262-I286 HydrophobicContact CB-CD1 3.81Å; V262-I286 HydrophobicContact CB-CG1 4.22Å; V262-I286 HydrophobicContact CG1-CD1 3.45Å; V262-I286 VanDerWaalsContact CG1-CD1 3.45Å; V262-I286 HydrophobicContact CG1-CG1 4.35Å; L267-I286 HydrophobicContact CB-CD1 4.13Å; L267-I286 HydrophobicContact CD1-CD1 4.4Å; L267-I286 HydrophobicContact CD2-CD1 3.96Å; L267-I286 HydrophobicContact CG-CD1 4.38Å; A282-I286 WeakPolarHBondContact O-CD1 3.27Å; A282-I286 WeakPolarHBondContact O-CG1 3.4Å; A282-I286 PolarHBondContact O-N 2.95Å; R283-I286 PolarHBondContact O-N 2.84Å; H284-I286 PolarHBondContact O-N 3.4Å; I286-Q290 PolarHBondContact O-N 2.94Å
287E98.1Very high97.4Very high46 Ų4629.3 Ų29.322%0.21514%0.137CC..Hα-helixtrans-69.1-35.4177.3-63.7176.2175.400111.9I264 R283 H284 Q290 R291I264-E287 HydrophobicContact CD1-CG 4.2Å; R283-E287 HydrophobicContact CG-CG 4.33Å; R283-E287 WeakPolarHBondContact CG-OE1 3.41Å; R283-E287 IonicContact CZ-OE1 3.99Å; R283-E287 IonicContact NE-OE1 2.79Å; R283-E287 PolarHBondContact NE-OE1 3.29Å; R283-E287 IonicContact NH2-OE1 3.58Å; R283-E287 PolarHBondContact NH2-OE1 2.81Å; R283-E287 WeakPolarHBondContact O-CB 3.16Å; R283-E287 WeakPolarHBondContact O-CG 3.37Å; R283-E287 PolarHBondContact O-N 3.03Å; H284-E287 PolarHBondContact O-N 2.96Å; E287-Q290 PolarHBondContact O-N 2.86Å; E287-R291 WeakPolarHBondContact O-CB 3.31Å; E287-R291 WeakPolarHBondContact O-CG 3.31Å; E287-R291 PolarHBondContact O-N 2.8Å; E287-R291 IonicContact OE2-NH1 2.86Å; E287-R291 PolarHBondContact OE2-NH1 2.96Å
288E98.4Very high97.4Very high0 Ų027.2 Ų27.20%013%0.125CC..Hα-helixtrans-69.1-36.3-179.5-168.970.1-179.700112I43 G44 T47 H284 V285 Q290 R291 T292 S314I43-E288 WeakPolarHBondContact CG1-OE1 3.46Å; G44-E288 PolarHBondContact N-OE1 3.23Å; G44-E288 VanDerWaalsContact N-OE1 3.15Å; T47-E288 HydrophobicContact CG2-CB 3.77Å; T47-E288 HydrophobicContact CG2-CG 3.67Å; H284-E288 WeakPolarHBondContact O-CB 3.49Å; H284-E288 PolarHBondContact O-N 3.4Å; V285-E288 PolarHBondContact O-N 3.1Å; E288-Q290 VanDerWaalsContact C-N 3.29Å; E288-Q290 PolarHBondContact O-N 3.21Å; E288-R291 PolarHBondContact O-N 3.35Å; E288-R291 IonicContact OE2-CZ 3.58Å; E288-R291 IonicContact OE2-NE 3.42Å; E288-R291 PolarHBondContact OE2-NE 3.42Å; E288-R291 IonicContact OE2-NH2 2.79Å; E288-R291 PolarHBondContact OE2-NH2 2.96Å; E288-T292 WeakPolarHBondContact O-CB 3.48Å; E288-T292 PolarHBondContact O-N 3.08Å; E288-T292 PolarHBondContact O-OG1 3.5Å; E288-S314 VanDerWaalsContact OE1-CB 3.26Å; E288-S314 WeakPolarHBondContact OE1-CB 3.39Å; E288-S314 PolarHBondContact OE1-OG 2.81Å; E288-S314 WeakPolarHBondContact OE2-CB 3.45Å; E288-S314 PolarHBondContact OE2-OG 2.76Å
289I97.9Very high97.3Very high16 Ų1626.3 Ų26.38%0.08212%0.12CC..Hα-helixtrans-57.2-46.5171-71.9169.1000109.8T47 F53 R260 V285 T292 V293T47-I289 HydrophobicContact CG2-CG1 3.83Å; F53-I289 HydrophobicContact CD2-CG2 3.84Å; F53-I289 HydrophobicContact CE2-CG2 4.35Å; R260-I289 HydrophobicContact CB-CD1 4.48Å; V285-I289 HydrophobicContact CG1-CD1 3.92Å; V285-I289 HydrophobicContact CG1-CG1 4.49Å; V285-I289 WeakPolarHBondContact O-CG1 3.36Å; V285-I289 PolarHBondContact O-N 2.86Å; I289-T292 PolarHBondContact O-N 3.02Å; I289-V293 PolarHBondContact O-N 2.99Å
290Q97.3Very high97.1Very high105 Ų10530.1 Ų30.149%0.49114%0.137SC..Hα-helixtrans-67.7-45.6178.5-175.959.835.500112I286 E287 E288 T292 V293 Q294I286-Q290 PolarHBondContact O-N 2.94Å; E287-Q290 PolarHBondContact O-N 2.86Å; E288-Q290 VanDerWaalsContact C-N 3.29Å; E288-Q290 PolarHBondContact O-N 3.21Å; Q290-T292 PolarHBondContact O-N 2.76Å; Q290-V293 PolarHBondContact O-N 3.32Å; Q290-Q294 WeakPolarHBondContact O-CG 3.33Å; Q290-Q294 PolarHBondContact O-N 3.03Å
291R98.3Very high96.9Very high17 Ų1734.8 Ų34.86%0.06416%0.159CC..Hα-helixtrans-58.4-37.3177.1-77.9-171.7-68.2-93.4-5.9111.9I43 E287 E288 Q294 A295 L310 S317I43-R291 HydrophobicContact CD1-CB 4.24Å; E287-R291 WeakPolarHBondContact O-CB 3.31Å; E287-R291 WeakPolarHBondContact O-CG 3.31Å; E287-R291 PolarHBondContact O-N 2.8Å; E287-R291 IonicContact OE2-NH1 2.86Å; E287-R291 PolarHBondContact OE2-NH1 2.96Å; E288-R291 PolarHBondContact O-N 3.35Å; E288-R291 IonicContact OE2-CZ 3.58Å; E288-R291 IonicContact OE2-NE 3.42Å; E288-R291 PolarHBondContact OE2-NE 3.42Å; E288-R291 IonicContact OE2-NH2 2.79Å; E288-R291 PolarHBondContact OE2-NH2 2.96Å; R291-Q294 PolarHBondContact O-N 3.24Å; R291-A295 VanDerWaalsContact O-CB 3.23Å; R291-A295 WeakPolarHBondContact O-CB 3.25Å; R291-A295 PolarHBondContact O-N 2.94Å; R291-L310 HydrophobicContact CB-CD2 4.39Å; R291-L310 HydrophobicContact CG-CD2 4.07Å; R291-S317 PolarHBondContact NH2-OG 3.28Å; R291-S317 VanDerWaalsContact NH2-OG 3.08Å
292T98Very high96.8Very high0 Ų036 Ų360%017%0.173CC..Hα-helixtrans-65.6-42.6180-58.20000112.2I43 G44 F53 L55 L204 E288 I289 Q290 A295 A296I43-T292 HydrophobicContact CG2-CG2 4.27Å; G44-T292 WeakPolarHBondContact CA-OG1 3.44Å; G44-T292 PolarHBondContact N-OG1 3.26Å; F53-T292 HydrophobicContact CB-CG2 3.75Å; L55-T292 HydrophobicContact CB-CG2 3.95Å; L204-T292 HydrophobicContact CD1-CG2 4.01Å; E288-T292 WeakPolarHBondContact O-CB 3.48Å; E288-T292 PolarHBondContact O-N 3.08Å; E288-T292 PolarHBondContact O-OG1 3.5Å; I289-T292 PolarHBondContact O-N 3.02Å; Q290-T292 PolarHBondContact O-N 2.76Å; T292-A295 PolarHBondContact O-N 3.24Å; T292-A296 PolarHBondContact O-N 2.85Å
293V96.6Very high96.7Very high45 Ų4537.9 Ų37.927%0.27319%0.186SC..Hα-helixtrans-65.4-44175.5178.30000110.5F53 I289 Q290 A295 A296 E297F53-V293 HydrophobicContact CB-CG2 4.48Å; F53-V293 HydrophobicContact CD2-CG2 3.31Å; F53-V293 HydrophobicContact CE2-CG2 3.43Å; F53-V293 VanDerWaalsContact CE2-CG2 3.43Å; F53-V293 HydrophobicContact CG-CG2 3.9Å; F53-V293 HydrophobicContact CZ-CG2 4.1Å; I289-V293 PolarHBondContact O-N 2.99Å; Q290-V293 PolarHBondContact O-N 3.32Å; V293-A295 VanDerWaalsContact C-N 3.33Å; V293-A295 PolarHBondContact O-N 3.16Å; V293-A296 PolarHBondContact O-N 2.79Å; V293-E297 PolarHBondContact O-N 3.42Å; V293-E297 VanDerWaalsContact O-N 3.1Å
294Q97.9Very high96.6Very high79 Ų7936.4 Ų36.437%0.36918%0.181SC..Hα-helixtrans-60.7-42.8176.3-70.6169.4-35.500111.7Q290 R291 E297 A298 L310Q290-Q294 WeakPolarHBondContact O-CG 3.33Å; Q290-Q294 PolarHBondContact O-N 3.03Å; R291-Q294 PolarHBondContact O-N 3.24Å; Q294-E297 PolarHBondContact O-N 2.75Å; Q294-A298 WeakPolarHBondContact O-CB 3.39Å; Q294-A298 PolarHBondContact O-N 2.9Å; Q294-L310 HydrophobicContact CB-CD1 3.89Å; Q294-L310 HydrophobicContact CB-CD2 4.4Å
295A97.5Very high96.5Very high0 Ų044 Ų440%021%0.214CC..Hα-helixtrans-65.3-41.6178.300000111.5I43 L55 R291 T292 V293 E297 A298 L299 F307 L310I43-A295 HydrophobicContact CD1-CB 4.07Å; I43-A295 HydrophobicContact CG2-CB 3.7Å; L55-A295 HydrophobicContact CD2-CB 4.46Å; R291-A295 VanDerWaalsContact O-CB 3.23Å; R291-A295 WeakPolarHBondContact O-CB 3.25Å; R291-A295 PolarHBondContact O-N 2.94Å; T292-A295 PolarHBondContact O-N 3.24Å; V293-A295 VanDerWaalsContact C-N 3.33Å; V293-A295 PolarHBondContact O-N 3.16Å; A295-E297 VanDerWaalsContact C-N 3.3Å; A295-E297 PolarHBondContact O-N 2.89Å; A295-A298 PolarHBondContact O-N 2.84Å; A295-L299 WeakPolarHBondContact O-CB 3.44Å; A295-L299 PolarHBondContact O-N 2.82Å; A295-F307 HydrophobicContact CB-CD2 3.89Å; A295-F307 HydrophobicContact CB-CE2 3.78Å; A295-F307 VanDerWaalsContact O-CD2 3.24Å; A295-F307 WeakPolarHBondContact O-CD2 3.34Å; A295-L310 HydrophobicContact CB-CB 4.45Å; A295-L310 HydrophobicContact CB-CD1 3.92Å
296A95.9Very high96.5Very high0 Ų048.2 Ų48.20%023%0.234CC..Hα-helixtrans-59.5-41.8174.500000111.7L55 L204 V215 T292 V293 L299 K300L55-A296 HydrophobicContact CD1-CB 4.23Å; L55-A296 HydrophobicContact CD2-CB 4.19Å; L204-A296 HydrophobicContact CD1-CB 4.14Å; L204-A296 HydrophobicContact CD2-CB 3.91Å; L204-A296 HydrophobicContact CG-CB 4.42Å; V215-A296 HydrophobicContact CG2-CB 4.4Å; T292-A296 PolarHBondContact O-N 2.85Å; V293-A296 PolarHBondContact O-N 2.79Å; A296-L299 PolarHBondContact O-N 3.43Å; A296-K300 VanDerWaalsContact O-CG 3.3Å; A296-K300 WeakPolarHBondContact O-CG 3.46Å; A296-K300 PolarHBondContact O-N 3.36Å
297E96.6Very high96.5Very high73 Ų7347.6 Ų47.634%0.34123%0.231SC..Hα-helixtrans-69.4-40.7176.2-69.3-56.4126.200113.1V293 Q294 A295 L299 K300 K301V293-E297 PolarHBondContact O-N 3.42Å; V293-E297 VanDerWaalsContact O-N 3.1Å; Q294-E297 PolarHBondContact O-N 2.75Å; A295-E297 VanDerWaalsContact C-N 3.3Å; A295-E297 PolarHBondContact O-N 2.89Å; E297-L299 VanDerWaalsContact C-N 3.29Å; E297-L299 PolarHBondContact O-N 2.88Å; E297-K300 PolarHBondContact O-N 3.01Å; E297-K300 IonicContact OE1-NZ 3.57Å; E297-K300 PolarHBondContact OE1-NZ 3.2Å; E297-K301 WeakPolarHBondContact O-CG 3.11Å; E297-K301 PolarHBondContact O-N 3.28Å; E297-K301 VanDerWaalsContact O-N 3.11Å
298A96.3Very high96.5Very high2 Ų245.4 Ų45.42%0.01722%0.22CC..Hα-helixtrans-59.8-42.3174.200000111Q294 A295 K301 G302 S303 E306 F307Q294-A298 WeakPolarHBondContact O-CB 3.39Å; Q294-A298 PolarHBondContact O-N 2.9Å; A295-A298 PolarHBondContact O-N 2.84Å; A298-K301 PolarHBondContact O-N 2.68Å; A298-G302 PolarHBondContact O-N 3.13Å; A298-S303 PolarHBondContact O-N 3.19Å; A298-E306 HydrophobicContact CB-CB 4.25Å; A298-E306 HydrophobicContact CB-CG 4.11Å; A298-F307 HydrophobicContact CB-CB 4.29Å
299L93.1Very high96.5Very high7 Ų751.1 Ų51.14%0.03725%0.247CC..Hα-helixtrans-65.7-44.1178.4-161.562.1000111.8L42 L55 A202 V215 L217 A295 A296 E297 K301 G302 Y304 F307L42-L299 HydrophobicContact CD1-CD2 4.46Å; L55-L299 HydrophobicContact CD2-CD2 4.5Å; A202-L299 HydrophobicContact CB-CD2 4.23Å; V215-L299 HydrophobicContact CG1-CB 3.92Å; V215-L299 HydrophobicContact CG1-CD2 3.75Å; V215-L299 HydrophobicContact CG1-CG 3.96Å; L217-L299 HydrophobicContact CD1-CD1 3.9Å; L217-L299 HydrophobicContact CD1-CD2 4.28Å; L217-L299 HydrophobicContact CD1-CG 4.42Å; L217-L299 HydrophobicContact CD2-CD2 4.41Å; A295-L299 WeakPolarHBondContact O-CB 3.44Å; A295-L299 PolarHBondContact O-N 2.82Å; A296-L299 PolarHBondContact O-N 3.43Å; E297-L299 VanDerWaalsContact C-N 3.29Å; E297-L299 PolarHBondContact O-N 2.88Å; L299-K301 PolarHBondContact O-N 2.82Å; L299-G302 PolarHBondContact O-N 3.27Å; L299-G302 VanDerWaalsContact O-N 3.1Å; L299-Y304 HydrophobicContact CD1-CD1 4.28Å; L299-Y304 HydrophobicContact CD1-CE1 4.27Å; L299-F307 HydrophobicContact CB-CD2 3.89Å; L299-F307 HydrophobicContact CB-CE2 3.99Å; L299-F307 HydrophobicContact CD1-CD2 4.06Å; L299-F307 HydrophobicContact CD1-CE2 4.15Å; L299-F307 HydrophobicContact CD1-CG 4.35Å; L299-F307 HydrophobicContact CD2-CE2 4.05Å; L299-F307 HydrophobicContact CD2-CZ 4.42Å; L299-F307 HydrophobicContact CG-CD2 4.44Å; L299-F307 HydrophobicContact CG-CE2 4.31Å
300K93.1Very high96.6Very high90 Ų9050.9 Ų50.939%0.39125%0.246SC..Hα-helixtrans-57.8-34.1174.5-73.3174.6-169.2169.60112.9V215 A296 E297V215-K300 HydrophobicContact CG1-CG 3.85Å; A296-K300 VanDerWaalsContact O-CG 3.3Å; A296-K300 WeakPolarHBondContact O-CG 3.46Å; A296-K300 PolarHBondContact O-N 3.36Å; E297-K300 PolarHBondContact O-N 3.01Å; E297-K300 IonicContact OE1-NZ 3.57Å; E297-K300 PolarHBondContact OE1-NZ 3.2Å
301K94.4Very high96.6Very high150 Ų15046 Ų4665%0.65222%0.223SC*.THydrogen-bonded Turntrans-85.8-7-179.6-67.5172.1-172.1172.80113.7E297 A298 L299 S303E297-K301 WeakPolarHBondContact O-CG 3.11Å; E297-K301 PolarHBondContact O-N 3.28Å; E297-K301 VanDerWaalsContact O-N 3.11Å; A298-K301 PolarHBondContact O-N 2.68Å; L299-K301 PolarHBondContact O-N 2.82Å; K301-S303 PolarHBondContact O-N 2.79Å
302G93.8Very high96.6Very high31 Ų3146.7 Ų46.732%0.3223%0.229SC..THydrogen-bonded Turntrans71.117.9-171.100000113.7A298 L299 Y304A298-G302 PolarHBondContact O-N 3.13Å; L299-G302 PolarHBondContact O-N 3.27Å; L299-G302 VanDerWaalsContact O-N 3.1Å; G302-Y304 WeakPolarHBondContact O-CD2 3.26Å; G302-Y304 PolarHBondContact O-N 3.12Å
303S96Very high96.7Very high41 Ų4151.2 Ų51.229%0.28725%0.25SS..  trans-78.361.2178.6-64.30000111.2A298 K301 K305 E306 F307A298-S303 PolarHBondContact O-N 3.19Å; K301-S303 PolarHBondContact O-N 2.79Å; S303-K305 VanDerWaalsContact C-N 3.26Å; S303-K305 PolarHBondContact O-N 3.14Å; S303-E306 WeakPolarHBondContact CB-OE2 3.33Å; S303-E306 WeakPolarHBondContact O-CB 3.29Å; S303-E306 PolarHBondContact O-N 3.4Å; S303-F307 PolarHBondContact O-N 2.89Å
304Y95.6Very high96.7Very high47 Ų4749 Ų4918%0.18424%0.237CC..Hα-helixtrans-63.6-28.3-170.5-49.8-48.1000114.4D219 L222 L299 G302 F307 G308 F343D219-Y304 WeakPolarHBondContact CB-OH 3.5Å; D219-Y304 WeakPolarHBondContact OD2-CE2 3.37Å; D219-Y304 PolarHBondContact OD2-OH 3.21Å; L222-Y304 HydrophobicContact CD1-CD1 3.58Å; L222-Y304 HydrophobicContact CD1-CD2 3.82Å; L222-Y304 HydrophobicContact CD1-CE1 3.32Å; L222-Y304 HydrophobicContact CD1-CE2 3.56Å; L222-Y304 HydrophobicContact CD1-CG 3.81Å; L222-Y304 HydrophobicContact CD2-CD2 3.87Å; L222-Y304 HydrophobicContact CD2-CE2 4.13Å; L222-Y304 HydrophobicContact CD2-CG 4.19Å; L222-Y304 HydrophobicContact CG-CD2 4.21Å; L222-Y304 HydrophobicContact CG-CE2 3.98Å; L299-Y304 HydrophobicContact CD1-CD1 4.28Å; L299-Y304 HydrophobicContact CD1-CE1 4.27Å; G302-Y304 WeakPolarHBondContact O-CD2 3.26Å; G302-Y304 PolarHBondContact O-N 3.12Å; Y304-F307 PolarHBondContact O-N 3.13Å; Y304-G308 PolarHBondContact O-N 3.03Å; Y304-F343 HydrophobicContact CD2-CZ 4.43Å
305K96.7Very high96.8Very high159 Ų15945.4 Ų45.469%0.69122%0.22SC*.Hα-helixtrans-64.8-44.1172.6-69.9-175.8178-177.30111.9S303 G308 Q309 F343S303-K305 VanDerWaalsContact C-N 3.26Å; S303-K305 PolarHBondContact O-N 3.14Å; K305-G308 PolarHBondContact O-N 3.25Å; K305-Q309 VanDerWaalsContact O-CG 3.31Å; K305-Q309 WeakPolarHBondContact O-CG 3.2Å; K305-Q309 PolarHBondContact O-N 3.4Å; K305-F343 HydrophobicContact CG-CD1 3.86Å; K305-F343 HydrophobicContact CG-CE1 3.94Å
306E97.9Very high96.8Very high89 Ų8948 Ų4842%0.41623%0.234SC..Hα-helixtrans-66-44.1176.3-176.3-178.1179.700110.3A298 S303 G308 Q309 L310A298-E306 HydrophobicContact CB-CB 4.25Å; A298-E306 HydrophobicContact CB-CG 4.11Å; S303-E306 WeakPolarHBondContact CB-OE2 3.33Å; S303-E306 WeakPolarHBondContact O-CB 3.29Å; S303-E306 PolarHBondContact O-N 3.4Å; E306-G308 VanDerWaalsContact C-N 3.33Å; E306-G308 PolarHBondContact O-N 2.78Å; E306-Q309 WeakPolarHBondContact O-CB 3.23Å; E306-Q309 PolarHBondContact O-N 3.06Å; E306-L310 HydrophobicContact CG-CD1 4.45Å; E306-L310 WeakPolarHBondContact O-CG 3.39Å; E306-L310 PolarHBondContact O-N 3.13Å
307F97.9Very high96.9Very high3 Ų348.3 Ų48.31%0.01324%0.236CC..Hα-helixtrans-56.6-46.7173.9-171.2-88000112.1L42 L55 A295 A298 L299 S303 Y304 Q309 L310 M311 L359L42-F307 HydrophobicContact CB-CZ 3.97Å; L42-F307 HydrophobicContact CD1-CZ 4.15Å; L55-F307 HydrophobicContact CD2-CE2 3.87Å; L55-F307 HydrophobicContact CD2-CZ 4.32Å; A295-F307 HydrophobicContact CB-CD2 3.89Å; A295-F307 HydrophobicContact CB-CE2 3.78Å; A295-F307 VanDerWaalsContact O-CD2 3.24Å; A295-F307 WeakPolarHBondContact O-CD2 3.34Å; A298-F307 HydrophobicContact CB-CB 4.29Å; L299-F307 HydrophobicContact CB-CD2 3.89Å; L299-F307 HydrophobicContact CB-CE2 3.99Å; L299-F307 HydrophobicContact CD1-CD2 4.06Å; L299-F307 HydrophobicContact CD1-CE2 4.15Å; L299-F307 HydrophobicContact CD1-CG 4.35Å; L299-F307 HydrophobicContact CD2-CE2 4.05Å; L299-F307 HydrophobicContact CD2-CZ 4.42Å; L299-F307 HydrophobicContact CG-CD2 4.44Å; L299-F307 HydrophobicContact CG-CE2 4.31Å; S303-F307 PolarHBondContact O-N 2.89Å; Y304-F307 PolarHBondContact O-N 3.13Å; F307-Q309 PolarHBondContact O-N 3.48Å; F307-L310 PolarHBondContact O-N 2.94Å; F307-M311 HydrophobicContact CD1-CG 3.97Å; F307-M311 HydrophobicContact CD1-SD 3.63Å; F307-M311 HydrophobicContact CE1-CG 3.79Å; F307-M311 HydrophobicContact CE1-SD 3.44Å; F307-M311 WeakPolarHBondContact CE1-SD 3.5Å; F307-M311 WeakPolarHBondContact O-CG 3.36Å; F307-M311 PolarHBondContact O-N 2.98Å; F307-L359 HydrophobicContact CB-CD2 4.48Å; F307-L359 HydrophobicContact CD1-CD2 3.51Å; F307-L359 HydrophobicContact CE1-CD2 4.13Å; F307-L359 HydrophobicContact CG-CD2 4.29Å
308G97.8Very high97Very high0 Ų044.9 Ų44.90%022%0.22CC..Hα-helixtrans-64.2-37.9178.600000113.5Y304 K305 E306 M311 V312 F343 G344Y304-G308 PolarHBondContact O-N 3.03Å; K305-G308 PolarHBondContact O-N 3.25Å; E306-G308 VanDerWaalsContact C-N 3.33Å; E306-G308 PolarHBondContact O-N 2.78Å; G308-M311 WeakPolarHBondContact O-CB 3.32Å; G308-M311 PolarHBondContact O-N 3.46Å; G308-V312 WeakPolarHBondContact O-CG2 3.49Å; G308-V312 PolarHBondContact O-N 3.42Å; G308-V312 VanDerWaalsContact O-N 3.11Å; G308-F343 CarbonylContact C-O 3.46Å; G308-F343 VanDerWaalsContact CA-O 3.29Å; G308-F343 WeakPolarHBondContact CA-O 3.43Å; G308-G344 WeakPolarHBondContact O-CA 3.4Å
309Q98.3Very high97.1Very high119 Ų11948.5 Ų48.556%0.55623%0.233SC*.Hα-helixtrans-60.7-46.7172.2-74.1168.9-16.300111.3K305 E306 F307 M311 V312 E313K305-Q309 VanDerWaalsContact O-CG 3.31Å; K305-Q309 WeakPolarHBondContact O-CG 3.2Å; K305-Q309 PolarHBondContact O-N 3.4Å; E306-Q309 WeakPolarHBondContact O-CB 3.23Å; E306-Q309 PolarHBondContact O-N 3.06Å; F307-Q309 PolarHBondContact O-N 3.48Å; Q309-M311 VanDerWaalsContact C-N 3.28Å; Q309-M311 PolarHBondContact O-N 3.06Å; Q309-V312 PolarHBondContact O-N 2.83Å; Q309-V312 VanDerWaalsContact O-N 3.1Å; Q309-E313 WeakPolarHBondContact O-CG 3.36Å; Q309-E313 PolarHBondContact O-N 3.19Å
310L98.6Very high97.3Very high11 Ų1152 Ų526%0.05825%0.252CS..Hα-helixtrans-61.6-35.5176.6-67.6167.1000112.2I43 R291 Q294 A295 E306 F307 E313 S314I43-L310 HydrophobicContact CD1-CB 4.07Å; I43-L310 WeakPolarHBondContact CD1-O 3.28Å; R291-L310 HydrophobicContact CB-CD2 4.39Å; R291-L310 HydrophobicContact CG-CD2 4.07Å; Q294-L310 HydrophobicContact CB-CD1 3.89Å; Q294-L310 HydrophobicContact CB-CD2 4.4Å; A295-L310 HydrophobicContact CB-CB 4.45Å; A295-L310 HydrophobicContact CB-CD1 3.92Å; E306-L310 HydrophobicContact CG-CD1 4.45Å; E306-L310 WeakPolarHBondContact O-CG 3.39Å; E306-L310 PolarHBondContact O-N 3.13Å; F307-L310 PolarHBondContact O-N 2.94Å; L310-E313 PolarHBondContact O-N 3.03Å; L310-S314 WeakPolarHBondContact O-CB 3.35Å; L310-S314 PolarHBondContact O-N 3.02Å
311M98.5Very high97.5Very high2 Ų249.4 Ų49.41%0.0124%0.242CC..Hα-helixtrans-61.3-46.7172.9-69.2174.373.100111.5F307 G308 Q309 S314 H315 R346 V357 L359F307-M311 HydrophobicContact CD1-CG 3.97Å; F307-M311 HydrophobicContact CD1-SD 3.63Å; F307-M311 HydrophobicContact CE1-CG 3.79Å; F307-M311 HydrophobicContact CE1-SD 3.44Å; F307-M311 WeakPolarHBondContact CE1-SD 3.5Å; F307-M311 WeakPolarHBondContact O-CG 3.36Å; F307-M311 PolarHBondContact O-N 2.98Å; G308-M311 WeakPolarHBondContact O-CB 3.32Å; G308-M311 PolarHBondContact O-N 3.46Å; Q309-M311 VanDerWaalsContact C-N 3.28Å; Q309-M311 PolarHBondContact O-N 3.06Å; M311-S314 WeakPolarHBondContact O-CB 3.4Å; M311-S314 PolarHBondContact O-N 3.1Å; M311-H315 PolarHBondContact O-N 3.45Å; M311-R346 HydrophobicContact CB-CG 4.07Å; M311-R346 HydrophobicContact CE-CG 3.92Å; M311-R346 HydrophobicContact CG-CG 4.5Å; M311-R346 WeakPolarHBondContact O-CB 3.3Å; M311-R346 WeakPolarHBondContact O-CD 3.26Å; M311-V357 HydrophobicContact CE-CG1 3.98Å; M311-V357 VanDerWaalsContact CE-O 3.29Å; M311-V357 WeakPolarHBondContact CE-O 3.4Å; M311-L359 HydrophobicContact CE-CB 4.42Å; M311-L359 HydrophobicContact SD-CB 3.82Å
312V98.6Very high97.6Very high33 Ų3342.2 Ų42.220%0.221%0.211CC..Hα-helixtrans-65.3-40.5179.71740000111.1G308 Q309 H315 N316 M337G308-V312 WeakPolarHBondContact O-CG2 3.49Å; G308-V312 PolarHBondContact O-N 3.42Å; G308-V312 VanDerWaalsContact O-N 3.11Å; Q309-V312 PolarHBondContact O-N 2.83Å; Q309-V312 VanDerWaalsContact O-N 3.1Å; V312-H315 WeakPolarHBondContact O-CB 3.46Å; V312-H315 PolarHBondContact O-N 2.86Å; V312-N316 PolarHBondContact O-N 3.48Å; V312-N316 PolarHBondContact O-ND2 2.9Å; V312-M337 HydrophobicContact CG2-CE 3.73Å; V312-M337 HydrophobicContact CG2-CG 4.32Å; V312-M337 HydrophobicContact CG2-SD 3.66Å
313E98.6Very high97.7Very high94 Ų9444.3 Ų44.344%0.43921%0.212SC..Hα-helixtrans-61.3-42.7174.1-71.4174.1-166.100112.1Q309 L310 H315 N316 S317Q309-E313 WeakPolarHBondContact O-CG 3.36Å; Q309-E313 PolarHBondContact O-N 3.19Å; L310-E313 PolarHBondContact O-N 3.03Å; E313-H315 PolarHBondContact O-N 2.92Å; E313-N316 PolarHBondContact O-N 2.92Å; E313-S317 WeakPolarHBondContact O-CB 3.33Å; E313-S317 PolarHBondContact O-N 2.85Å
314S98.6Very high97.6Very high0 Ų042.3 Ų42.30%020%0.199CC..Hα-helixtrans-59-44.5172.6168.60000111.6E288 L310 M311 S317 L318 R346E288-S314 VanDerWaalsContact OE1-CB 3.26Å; E288-S314 WeakPolarHBondContact OE1-CB 3.39Å; E288-S314 PolarHBondContact OE1-OG 2.81Å; E288-S314 WeakPolarHBondContact OE2-CB 3.45Å; E288-S314 PolarHBondContact OE2-OG 2.76Å; L310-S314 WeakPolarHBondContact O-CB 3.35Å; L310-S314 PolarHBondContact O-N 3.02Å; M311-S314 WeakPolarHBondContact O-CB 3.4Å; M311-S314 PolarHBondContact O-N 3.1Å; S314-S317 WeakPolarHBondContact O-CB 3.32Å; S314-S317 PolarHBondContact O-N 2.86Å; S314-L318 WeakPolarHBondContact O-CG 3.47Å; S314-L318 PolarHBondContact O-N 3.28Å; S314-R346 PolarHBondContact OG-NE 2.94Å; S314-R346 PolarHBondContact OG-NH2 3.24Å
315H98.5Very high97.6Very high2 Ų241 Ų411%0.00920%0.196CC..Hα-helixtrans-60.9-48.6176.5-177.157.4000112.7M311 V312 E313 S317 L318 R319 S325 D330 V333 R346 M347M311-H315 PolarHBondContact O-N 3.45Å; V312-H315 WeakPolarHBondContact O-CB 3.46Å; V312-H315 PolarHBondContact O-N 2.86Å; E313-H315 PolarHBondContact O-N 2.92Å; H315-S317 VanDerWaalsContact C-N 3.26Å; H315-S317 PolarHBondContact O-N 2.83Å; H315-L318 PolarHBondContact O-N 3.02Å; H315-L318 VanDerWaalsContact O-N 3.15Å; H315-R319 WeakPolarHBondContact O-CB 3.46Å; H315-R319 PolarHBondContact O-N 3.27Å; H315-S325 PolarHBondContact CE1-OG 3.47Å; H315-D330 IonicContact CE1-OD1 2.72Å; H315-D330 PolarHBondContact CE1-OD1 2.89Å; H315-D330 VanDerWaalsContact CE1-OD1 3.26Å; H315-D330 IonicContact NE2-OD1 3.2Å; H315-D330 PolarHBondContact NE2-OD1 2.89Å; H315-V333 VanDerWaalsContact CD2-CG1 3.48Å; H315-V333 WeakPolarHBondContact CD2-CG1 3.45Å; H315-R346 HydrophobicContact CB-CB 3.63Å; H315-M347 PolarHBondContact ND1-N 3.22Å
316N98.5Very high97.4Very high56 Ų5634.2 Ų34.230%0.29917%0.168SC..Hα-helixtrans-60.4-40.2177.5-69.4-36.4000110.8V312 E313 R319 D320V312-N316 PolarHBondContact O-N 3.48Å; V312-N316 PolarHBondContact O-ND2 2.9Å; E313-N316 PolarHBondContact O-N 2.92Å; N316-R319 PolarHBondContact O-N 3.3Å; N316-R319 PolarHBondContact OD1-NH1 3.35Å; N316-R319 PolarHBondContact OD1-NH2 2.82Å; N316-D320 VanDerWaalsContact O-CB 3.32Å; N316-D320 WeakPolarHBondContact O-CB 3.48Å; N316-D320 PolarHBondContact O-N 2.9Å
317S98.4Very high97.3Very high6 Ų636.7 Ų36.74%0.04218%0.178CC..Iπ-helixtrans-62.3-42.8175-161.90000112.1H284 R291 E313 S314 H315 R319 L321 Y322H284-S317 WeakPolarHBondContact ND1-CB 3.47Å; H284-S317 PolarHBondContact ND1-OG 3.4Å; R291-S317 PolarHBondContact NH2-OG 3.28Å; R291-S317 VanDerWaalsContact NH2-OG 3.08Å; E313-S317 WeakPolarHBondContact O-CB 3.33Å; E313-S317 PolarHBondContact O-N 2.85Å; S314-S317 WeakPolarHBondContact O-CB 3.32Å; S314-S317 PolarHBondContact O-N 2.86Å; H315-S317 VanDerWaalsContact C-N 3.26Å; H315-S317 PolarHBondContact O-N 2.83Å; S317-R319 PolarHBondContact O-N 3.47Å; S317-L321 CarbonylContact O-C 3.6Å; S317-L321 WeakPolarHBondContact O-CA 3.39Å; S317-L321 VanDerWaalsContact O-CB 3.28Å; S317-L321 WeakPolarHBondContact O-CB 3.26Å; S317-L321 PolarHBondContact O-N 2.92Å; S317-Y322 PolarHBondContact O-N 2.71Å
318L97.9Very high97.2Very high0 Ų038.3 Ų38.30%019%0.185CC..Iπ-helixtrans-67.3-34.6176.7-72.9160.9000113.3E45 H284 S314 H315 Y322 E323 V324 M347E45-L318 HydrophobicContact CB-CD1 3.88Å; E45-L318 HydrophobicContact CB-CD2 3.8Å; E45-L318 HydrophobicContact CB-CG 4.42Å; E45-L318 HydrophobicContact CG-CD1 4.08Å; H284-L318 VanDerWaalsContact CE1-CD2 3.44Å; H284-L318 WeakPolarHBondContact CE1-CD2 3.24Å; H284-L318 WeakPolarHBondContact NE2-CD2 3.43Å; S314-L318 WeakPolarHBondContact O-CG 3.47Å; S314-L318 PolarHBondContact O-N 3.28Å; H315-L318 PolarHBondContact O-N 3.02Å; H315-L318 VanDerWaalsContact O-N 3.15Å; L318-Y322 HydrophobicContact CD2-CD1 4.42Å; L318-Y322 CarbonylContact O-C 3.59Å; L318-E323 WeakPolarHBondContact O-CA 3.36Å; L318-E323 PolarHBondContact O-N 3.45Å; L318-V324 HydrophobicContact CB-CG2 4.04Å; L318-V324 HydrophobicContact CD2-CG2 3.55Å; L318-V324 HydrophobicContact CG-CG2 4.39Å; L318-V324 PolarHBondContact O-N 3.04Å; L318-M347 HydrophobicContact CB-CG 4.38Å; L318-M347 HydrophobicContact CB-SD 3.97Å; L318-M347 HydrophobicContact CD1-CE 4.36Å; L318-M347 HydrophobicContact CD1-CG 3.81Å; L318-M347 HydrophobicContact CD1-SD 4.03Å; L318-M347 HydrophobicContact CG-SD 4.46Å
319R97.7Very high97.1Very high79 Ų7938.3 Ų38.330%0.29819%0.185SC..Iπ-helixtrans-72.9-52.4176.8-173.5-172.567-141.1-12.3111.4H315 N316 S317 E323 D330H315-R319 WeakPolarHBondContact O-CB 3.46Å; H315-R319 PolarHBondContact O-N 3.27Å; N316-R319 PolarHBondContact O-N 3.3Å; N316-R319 PolarHBondContact OD1-NH1 3.35Å; N316-R319 PolarHBondContact OD1-NH2 2.82Å; S317-R319 PolarHBondContact O-N 3.47Å; R319-E323 WeakPolarHBondContact O-CA 3.33Å; R319-D330 VanDerWaalsContact CD-OD2 3.26Å; R319-D330 WeakPolarHBondContact CD-OD2 3.47Å
320D97.7Very high97.1Very high79 Ų7934.3 Ų34.342%0.42217%0.168SC..Iπ-helixtrans-94.6-38.1-165.3-56.1-30000112.9R280 N316R280-D320 PolarHBondContact NH1-O 2.76Å; R280-D320 VanDerWaalsContact NH1-O 3.14Å; N316-D320 VanDerWaalsContact O-CB 3.32Å; N316-D320 WeakPolarHBondContact O-CB 3.48Å; N316-D320 PolarHBondContact O-N 2.9Å
321L97.3Very high97Very high36 Ų3636.1 Ų36.119%0.18818%0.176CC..Iπ-helixtrans-96.7-41.1-177.8-60.7-175.9000112.5R280 R281 R283 H284 S317R280-L321 CarbonylContact C-O 3.48Å; R280-L321 HydrophobicContact CB-CD2 4.36Å; R280-L321 WeakPolarHBondContact CB-O 3.4Å; R280-L321 HydrophobicContact CG-CD2 4.2Å; R281-L321 WeakPolarHBondContact CD-O 3.48Å; R281-L321 PolarHBondContact NH1-O 2.9Å; R283-L321 HydrophobicContact CB-CD1 4.35Å; R283-L321 HydrophobicContact CG-CD1 3.97Å; H284-L321 HydrophobicContact CB-CB 3.94Å; S317-L321 CarbonylContact O-C 3.6Å; S317-L321 WeakPolarHBondContact O-CA 3.39Å; S317-L321 VanDerWaalsContact O-CB 3.28Å; S317-L321 WeakPolarHBondContact O-CB 3.26Å; S317-L321 PolarHBondContact O-N 2.92Å
322Y97Very high97Very high0 Ų036 Ų360%018%0.176CC..SBendtrans-93-22.2-178.6-141-115.9000114.1H46 Y49 R243 C247 R281 H284 V285 S317 L318 V324H46-Y322 HydrophobicContact CB-CD1 4.08Å; H46-Y322 HydrophobicContact CB-CE1 3.43Å; H46-Y322 VanDerWaalsContact CB-CE1 3.43Å; H46-Y322 AromaticContact CD2-CD1 3.61Å; H46-Y322 AromaticContact CD2-CE1 3.57Å; H46-Y322 AromaticContact CE1-CE1 3.95Å; H46-Y322 AromaticContact CG-CD1 3.76Å; H46-Y322 AromaticContact CG-CE1 3.22Å; H46-Y322 AromaticContact CG-CZ 3.98Å; H46-Y322 AromaticContact ND1-CE1 3.5Å; H46-Y322 WeakPolarHBondContact ND1-CE1 3.26Å; Y49-Y322 PolarHBondContact OH-OH 2.56Å; R243-Y322 HydrophobicContact CB-CE1 3.84Å; R243-Y322 HydrophobicContact CG-CD1 4.45Å; R243-Y322 HydrophobicContact CG-CE1 3.83Å; R243-Y322 PolarHBondContact NE-O 3.33Å; C247-Y322 PolarHBondContact SG-OH 3.4Å; R281-Y322 HydrophobicContact CB-CD2 4.13Å; R281-Y322 HydrophobicContact CB-CE2 3.87Å; R281-Y322 HydrophobicContact CG-CD2 4.37Å; R281-Y322 HydrophobicContact CG-CE2 4.3Å; R281-Y322 PolarHBondContact NE-O 3.35Å; H284-Y322 HydrophobicContact CB-CD2 3.7Å; H284-Y322 HydrophobicContact CB-CG 4.32Å; H284-Y322 AromaticContact CD2-CD2 3.18Å; H284-Y322 WeakPolarHBondContact CD2-CD2 3.48Å; H284-Y322 AromaticContact CD2-CE2 3.72Å; H284-Y322 AromaticContact CD2-CG 3.41Å; H284-Y322 VanDerWaalsContact CD2-CG 3.41Å; H284-Y322 AromaticContact CG-CD2 3.61Å; H284-Y322 AromaticContact CG-CG 3.87Å; V285-Y322 HydrophobicContact CG2-CE2 3.88Å; S317-Y322 PolarHBondContact O-N 2.71Å; L318-Y322 HydrophobicContact CD2-CD1 4.42Å; L318-Y322 CarbonylContact O-C 3.59Å; Y322-V324 HydrophobicContact CD1-CB 4.38Å; Y322-V324 HydrophobicContact CD1-CG1 3.49Å; Y322-V324 VanDerWaalsContact CD1-CG1 3.49Å; Y322-V324 HydrophobicContact CD1-CG2 3.95Å; Y322-V324 HydrophobicContact CE1-CG1 4.11Å; Y322-V324 HydrophobicContact CG-CG1 4.41Å; Y322-V324 PolarHBondContact O-N 3.05Å
323E95.7Very high97Very high74 Ų7434.7 Ų34.735%0.34617%0.168SC..  trans48.955.2-178.8-59.7174.3-108.100112.1R243 R280 R281 L318 R319R243-E323 PolarHBondContact NH2-O 3.02Å; R280-E323 IonicContact CZ-OE1 3.15Å; R280-E323 IonicContact NH1-OE1 2.8Å; R280-E323 PolarHBondContact NH1-OE1 2.85Å; R280-E323 IonicContact NH2-OE1 3.73Å; R280-E323 PolarHBondContact NH2-OE1 3.19Å; R281-E323 IonicContact CZ-OE1 3.71Å; R281-E323 VanDerWaalsContact CZ-OE1 3.23Å; R281-E323 IonicContact NH1-OE1 2.84Å; R281-E323 PolarHBondContact NH1-OE1 2.9Å; R281-E323 VanDerWaalsContact NH2-CD 3.26Å; R281-E323 IonicContact NH2-OE1 3.66Å; R281-E323 PolarHBondContact NH2-OE1 2.9Å; R281-E323 IonicContact NH2-OE2 3.61Å; L318-E323 WeakPolarHBondContact O-CA 3.36Å; L318-E323 PolarHBondContact O-N 3.45Å; R319-E323 WeakPolarHBondContact O-CA 3.33Å
324V93.8Very high97Very high0 Ų033.3 Ų33.30%017%0.168CC..  trans-120.9-1173.9-60.40000112.6R243 L318 Y322 M347 G351 F352R243-V324 HydrophobicContact CG-CG1 4.2Å; L318-V324 HydrophobicContact CB-CG2 4.04Å; L318-V324 HydrophobicContact CD2-CG2 3.55Å; L318-V324 HydrophobicContact CG-CG2 4.39Å; L318-V324 PolarHBondContact O-N 3.04Å; Y322-V324 HydrophobicContact CD1-CB 4.38Å; Y322-V324 HydrophobicContact CD1-CG1 3.49Å; Y322-V324 VanDerWaalsContact CD1-CG1 3.49Å; Y322-V324 HydrophobicContact CD1-CG2 3.95Å; Y322-V324 HydrophobicContact CE1-CG1 4.11Å; Y322-V324 HydrophobicContact CG-CG1 4.41Å; Y322-V324 PolarHBondContact O-N 3.05Å; V324-M347 HydrophobicContact CG2-CE 4.21Å; V324-M347 HydrophobicContact CG2-SD 4.04Å; V324-G351 CarbonylContact O-C 3.49Å; V324-G351 WeakPolarHBondContact O-CA 3.06Å; V324-F352 HydrophobicContact CB-CD2 4.4Å; V324-F352 HydrophobicContact CB-CE2 3.83Å; V324-F352 HydrophobicContact CB-CZ 3.94Å; V324-F352 HydrophobicContact CG1-CE2 3.74Å; V324-F352 HydrophobicContact CG1-CZ 3.68Å; V324-F352 PolarHBondContact O-N 3.18Å
325S94.6Very high96.9Very high18 Ų1833.5 Ų33.513%0.12617%0.17CC..  trans-76177.1168.7-157.10000111H315 D330H315-S325 PolarHBondContact CE1-OG 3.47Å; S325-D330 WeakPolarHBondContact CB-OD1 3.43Å; S325-D330 PolarHBondContact OG-OD1 3.45Å
326C93.6Very high96.9Very high17 Ų1733.4 Ų33.412%0.11517%0.169CC..  trans-146.3166.4169.7650000109.4E328 L329 D330 G353C326-E328 WeakPolarHBondContact CB-OE2 3.42Å; C326-E328 PolarHBondContact O-N 3.4Å; C326-E328 VanDerWaalsContact O-N 3.09Å; C326-E328 PolarHBondContact SG-OE2 3.38Å; C326-L329 PolarHBondContact O-N 3.28Å; C326-D330 VanDerWaalsContact O-CG 3.28Å; C326-D330 PolarHBondContact O-N 3.44Å; C326-G353 PolarHBondContact SG-N 3.43Å
327K95.8Very high96.9Very high141 Ų14134.3 Ų34.361%0.61317%0.173SC*.Hα-helixtrans-49.2-42-178.9178-179.7167.4-175.10112D330 E331K327-D330 PolarHBondContact O-N 3.45Å; K327-E331 WeakPolarHBondContact CE-OE1 3.37Å; K327-E331 HydrophobicContact CG-CG 4.5Å; K327-E331 IonicContact NZ-OE1 3.58Å; K327-E331 WeakPolarHBondContact O-CB 3.47Å; K327-E331 WeakPolarHBondContact O-CG 3.26Å; K327-E331 PolarHBondContact O-N 3.28Å
328E95.5Very high96.9Very high37 Ų3739.3 Ų39.317%0.17320%0.195CC..Hα-helixtrans-66.5-41.8-178.2-60.988.7172.700112.9I231 H233 C326 L332 Y376I231-E328 HydrophobicContact CB-CG 4.31Å; I231-E328 HydrophobicContact CG1-CG 3.98Å; I231-E328 HydrophobicContact CG2-CG 4.44Å; H233-E328 IonicContact CE1-OE1 2.84Å; H233-E328 IonicContact NE2-OE1 2.89Å; H233-E328 PolarHBondContact NE2-OE1 3.07Å; H233-E328 IonicContact NE2-OE2 3.72Å; H233-E328 PolarHBondContact NE2-OE2 3.11Å; H233-E328 VanDerWaalsContact NE2-OE2 3.11Å; C326-E328 WeakPolarHBondContact CB-OE2 3.42Å; C326-E328 PolarHBondContact O-N 3.4Å; C326-E328 VanDerWaalsContact O-N 3.09Å; C326-E328 PolarHBondContact SG-OE2 3.38Å; E328-L332 VanDerWaalsContact O-CG 3.26Å; E328-L332 WeakPolarHBondContact O-CG 3.24Å; E328-L332 PolarHBondContact O-N 2.96Å; E328-L332 VanDerWaalsContact O-N 3.11Å; E328-Y376 HydrophobicContact CB-CE2 3.86Å; E328-Y376 WeakPolarHBondContact CB-OH 3.36Å; E328-Y376 HydrophobicContact CG-CE2 4.22Å
329L96.3Very high96.9Very high0 Ų039.6 Ų39.60%020%0.197CC..Hα-helixtrans-67.4-40.2176.2-67.7171.2000110.9C326 L332 V333 M347 T356C326-L329 PolarHBondContact O-N 3.28Å; L329-L332 PolarHBondContact O-N 2.87Å; L329-V333 WeakPolarHBondContact O-CG2 3.3Å; L329-V333 PolarHBondContact O-N 3.43Å; L329-M347 HydrophobicContact CB-CB 4.33Å; L329-M347 HydrophobicContact CD1-CB 3.84Å; L329-M347 HydrophobicContact CD1-SD 4.26Å; L329-M347 HydrophobicContact CD2-CB 4.24Å; L329-M347 HydrophobicContact CG-CB 4.37Å; L329-T356 HydrophobicContact CD2-CG2 3.83Å
330D97.7Very high96.8Very high36 Ų3643.2 Ų43.219%0.19322%0.217CC..Hα-helixtrans-66.1-39.7179.2-61.7-18.3000111.6H315 R319 S325 C326 K327 S334H315-D330 IonicContact CE1-OD1 2.72Å; H315-D330 PolarHBondContact CE1-OD1 2.89Å; H315-D330 VanDerWaalsContact CE1-OD1 3.26Å; H315-D330 IonicContact NE2-OD1 3.2Å; H315-D330 PolarHBondContact NE2-OD1 2.89Å; R319-D330 VanDerWaalsContact CD-OD2 3.26Å; R319-D330 WeakPolarHBondContact CD-OD2 3.47Å; S325-D330 WeakPolarHBondContact CB-OD1 3.43Å; S325-D330 PolarHBondContact OG-OD1 3.45Å; C326-D330 VanDerWaalsContact O-CG 3.28Å; C326-D330 PolarHBondContact O-N 3.44Å; K327-D330 PolarHBondContact O-N 3.45Å; D330-S334 VanDerWaalsContact O-CB 3.29Å; D330-S334 WeakPolarHBondContact O-CB 3.49Å; D330-S334 PolarHBondContact O-N 3.45Å; D330-S334 PolarHBondContact O-OG 3.03Å
331E97.5Very high96.8Very high48 Ų4840 Ų4022%0.22420%0.203CC..Hα-helixtrans-60.9-47.4172.5-79.3-179.3-171.600111.3K327 S334 A335 Y376 S377K327-E331 WeakPolarHBondContact CE-OE1 3.37Å; K327-E331 HydrophobicContact CG-CG 4.5Å; K327-E331 IonicContact NZ-OE1 3.58Å; K327-E331 WeakPolarHBondContact O-CB 3.47Å; K327-E331 WeakPolarHBondContact O-CG 3.26Å; K327-E331 PolarHBondContact O-N 3.28Å; E331-S334 PolarHBondContact O-N 3.48Å; E331-A335 VanDerWaalsContact O-CB 3.31Å; E331-A335 WeakPolarHBondContact O-CB 3.38Å; E331-A335 PolarHBondContact O-N 3.16Å; E331-Y376 HydrophobicContact CB-CD2 4.03Å; E331-Y376 WeakPolarHBondContact OE2-CD2 3.31Å; E331-S377 PolarHBondContact OE2-N 2.62Å; E331-S377 PolarHBondContact OE2-OG 3.48Å
332L97.9Very high96.8Very high0 Ų039.3 Ų39.30%020%0.2CC..Hα-helixtrans-62.7-43.1179.1-73176.1000112.5T227 E328 L329 A336 T356 I372 Y376 P380T227-L332 HydrophobicContact CG2-CD1 4.18Å; T227-L332 HydrophobicContact CG2-CD2 3.75Å; E328-L332 VanDerWaalsContact O-CG 3.26Å; E328-L332 WeakPolarHBondContact O-CG 3.24Å; E328-L332 PolarHBondContact O-N 2.96Å; E328-L332 VanDerWaalsContact O-N 3.11Å; L329-L332 PolarHBondContact O-N 2.87Å; L332-A336 WeakPolarHBondContact O-CB 3.27Å; L332-A336 PolarHBondContact O-N 2.88Å; L332-T356 HydrophobicContact CB-CG2 3.76Å; L332-T356 HydrophobicContact CD1-CG2 4.12Å; L332-I372 HydrophobicContact CD2-CG2 3.52Å; L332-Y376 HydrophobicContact CD2-CD1 3.77Å; L332-Y376 HydrophobicContact CD2-CD2 3.85Å; L332-Y376 HydrophobicContact CD2-CE1 4.27Å; L332-Y376 HydrophobicContact CD2-CE2 4.38Å; L332-Y376 HydrophobicContact CD2-CG 3.54Å; L332-Y376 HydrophobicContact CG-CD1 4.5Å; L332-Y376 HydrophobicContact CG-CD2 3.98Å; L332-Y376 HydrophobicContact CG-CE2 4.16Å; L332-Y376 HydrophobicContact CG-CG 4.18Å; L332-P380 HydrophobicContact CD2-CB 4.26Å
333V98.2Very high96.8Very high6 Ų640.8 Ų40.84%0.03621%0.207CC..Hα-helixtrans-65.9-46.4177.3170.90000110.6H315 L329 A335 A336 M337 S345 T356H315-V333 VanDerWaalsContact CD2-CG1 3.48Å; H315-V333 WeakPolarHBondContact CD2-CG1 3.45Å; L329-V333 WeakPolarHBondContact O-CG2 3.3Å; L329-V333 PolarHBondContact O-N 3.43Å; V333-A335 PolarHBondContact O-N 3.48Å; V333-A336 PolarHBondContact O-N 3.38Å; V333-M337 HydrophobicContact CG1-CG 4.36Å; V333-M337 WeakPolarHBondContact O-CG 3.45Å; V333-M337 PolarHBondContact O-N 2.95Å; V333-S345 WeakPolarHBondContact CG1-O 3.39Å; V333-T356 HydrophobicContact CG2-CG2 3.82Å
334S98.1Very high96.9Very high64 Ų6437.2 Ų37.245%0.44819%0.19SC..Hα-helixtrans-60.3-47.2179.5-58.40000111.4D330 E331 A336 M337 E338D330-S334 VanDerWaalsContact O-CB 3.29Å; D330-S334 WeakPolarHBondContact O-CB 3.49Å; D330-S334 PolarHBondContact O-N 3.45Å; D330-S334 PolarHBondContact O-OG 3.03Å; E331-S334 PolarHBondContact O-N 3.48Å; S334-A336 PolarHBondContact O-N 2.65Å; S334-M337 PolarHBondContact O-N 3.31Å; S334-E338 PolarHBondContact O-N 3.12Å
335A98.1Very high97.2Very high4 Ų437.2 Ų37.23%0.03319%0.19CC..Hα-helixtrans-61.4-42.2177.300000112.3E331 V333 M337 E338 H371 I372 K375E331-A335 VanDerWaalsContact O-CB 3.31Å; E331-A335 WeakPolarHBondContact O-CB 3.38Å; E331-A335 PolarHBondContact O-N 3.16Å; V333-A335 PolarHBondContact O-N 3.48Å; A335-M337 VanDerWaalsContact C-N 3.33Å; A335-M337 PolarHBondContact O-N 3.46Å; A335-E338 PolarHBondContact O-N 3.01Å; A335-H371 PolarHBondContact O-CD2 2.96Å; A335-H371 VanDerWaalsContact O-CD2 3.23Å; A335-I372 HydrophobicContact CB-CG1 4.2Å; A335-K375 HydrophobicContact CB-CB 3.69Å; A335-K375 HydrophobicContact CB-CG 4.27Å
336A97.9Very high97.3Very high0 Ų036.4 Ų36.40%018%0.184CC..Hα-helixtrans-61.4-41.5176.500000112L332 V333 S334 E338 V339 V342 T358 I372L332-A336 WeakPolarHBondContact O-CB 3.27Å; L332-A336 PolarHBondContact O-N 2.88Å; V333-A336 PolarHBondContact O-N 3.38Å; S334-A336 PolarHBondContact O-N 2.65Å; A336-E338 VanDerWaalsContact C-N 3.26Å; A336-E338 PolarHBondContact O-N 2.87Å; A336-V339 PolarHBondContact O-N 2.88Å; A336-V342 WeakPolarHBondContact O-CG2 3.49Å; A336-T358 HydrophobicContact CB-CG2 4.2Å; A336-I372 HydrophobicContact CB-CD1 3.79Å; A336-I372 HydrophobicContact CB-CG1 4.19Å
337M98.3Very high97.4Very high75 Ų7535.6 Ų35.637%0.36918%0.179SC..Hα-helixtrans-70.7-16.9-178.2-69-55.6-57.700114.3V312 V333 S334 A335 V339 V342 G344 S345V312-M337 HydrophobicContact CG2-CE 3.73Å; V312-M337 HydrophobicContact CG2-CG 4.32Å; V312-M337 HydrophobicContact CG2-SD 3.66Å; V333-M337 HydrophobicContact CG1-CG 4.36Å; V333-M337 WeakPolarHBondContact O-CG 3.45Å; V333-M337 PolarHBondContact O-N 2.95Å; S334-M337 PolarHBondContact O-N 3.31Å; A335-M337 VanDerWaalsContact C-N 3.33Å; A335-M337 PolarHBondContact O-N 3.46Å; M337-V339 PolarHBondContact O-N 2.94Å; M337-V342 HydrophobicContact SD-CG1 4.03Å; M337-G344 VanDerWaalsContact SD-CA 3.59Å; M337-S345 PolarHBondContact SD-N 2.86Å
338E97.9Very high97.2Very high111 Ų11129 Ų2952%0.51915%0.15SC..THydrogen-bonded Turntrans-72.9-13173.7-71.2177.2-177.100113S334 A335 A336 H371 K375S334-E338 PolarHBondContact O-N 3.12Å; A335-E338 PolarHBondContact O-N 3.01Å; A336-E338 VanDerWaalsContact C-N 3.26Å; A336-E338 PolarHBondContact O-N 2.87Å; E338-H371 WeakPolarHBondContact CB-NE2 3.43Å; E338-H371 IonicContact OE2-CD2 3.97Å; E338-H371 IonicContact OE2-CE1 3.36Å; E338-H371 PolarHBondContact OE2-CE1 3.48Å; E338-H371 IonicContact OE2-NE2 2.73Å; E338-H371 PolarHBondContact OE2-NE2 3.16Å; E338-K375 WeakPolarHBondContact OE2-CE 3.32Å; E338-K375 IonicContact OE2-NZ 3.41Å
339V97.9Very high96.8Very high7 Ų727.6 Ų27.64%0.04215%0.146CC..SBendtrans-94.3119.9-171.2-178.10000111.3A336 M337 G341 V342 K367 A368 H371A336-V339 PolarHBondContact O-N 2.88Å; M337-V339 PolarHBondContact O-N 2.94Å; V339-G341 PolarHBondContact O-N 3.01Å; V339-V342 HydrophobicContact CB-CG2 3.9Å; V339-V342 HydrophobicContact CG1-CG2 4.26Å; V339-V342 WeakPolarHBondContact O-CB 3.48Å; V339-V342 WeakPolarHBondContact O-CG2 3.24Å; V339-V342 PolarHBondContact O-N 3.33Å; V339-V342 VanDerWaalsContact O-N 3.09Å; V339-K367 HydrophobicContact CG1-CB 4.35Å; V339-K367 HydrophobicContact CG1-CD 4.11Å; V339-K367 HydrophobicContact CG1-CG 4.01Å; V339-A368 HydrophobicContact CG1-CB 4.09Å; V339-H371 HydrophobicContact CG2-CB 3.69Å
340E97.1Very high96.2Very high154 Ų15429.3 Ų29.372%0.7216%0.164SC*.THydrogen-bonded Turntrans-56.1131.2171.7-173.5-178.1-171.300111.6A364E340-A364 WeakPolarHBondContact O-CB 3.39Å
341G95.8Very high95.7Very high12 Ų1228.5 Ų28.512%0.12416%0.164CC..THydrogen-bonded Turntrans96.8-8-174.800000113.9V339 L360 Q361V339-G341 PolarHBondContact O-N 3.01Å; G341-L360 CarbonylContact O-C 3.57Å; G341-L360 WeakPolarHBondContact O-CA 3.5Å; G341-Q361 PolarHBondContact O-N 3.31Å
342V98Very high95.3Very high21 Ų2127.7 Ų27.713%0.12716%0.16CC..EExtended strand (participates in β ladder)trans-81.3128.8168.1176.30000109.9A336 M337 V339 T358 L360A336-V342 WeakPolarHBondContact O-CG2 3.49Å; M337-V342 HydrophobicContact SD-CG1 4.03Å; V339-V342 HydrophobicContact CB-CG2 3.9Å; V339-V342 HydrophobicContact CG1-CG2 4.26Å; V339-V342 WeakPolarHBondContact O-CB 3.48Å; V339-V342 WeakPolarHBondContact O-CG2 3.24Å; V339-V342 PolarHBondContact O-N 3.33Å; V339-V342 VanDerWaalsContact O-N 3.09Å; V342-T358 HydrophobicContact CG1-CG2 3.53Å; V342-T358 HydrophobicContact CG2-CG2 4.23Å; V342-L360 HydrophobicContact CB-CB 4.42Å; V342-L360 HydrophobicContact CG2-CB 3.95Å
343F97.9Very high94.8Very high31 Ų3128.1 Ų28.114%0.13616%0.164CC..EExtended strand (participates in β ladder)trans-86.2-42.4175.9-65.5-73.1000111.8L222 Y304 K305 G308 L359 Q361L222-F343 HydrophobicContact CD2-CD2 4.12Å; L222-F343 HydrophobicContact CD2-CE2 3.39Å; L222-F343 HydrophobicContact CD2-CZ 4.17Å; Y304-F343 HydrophobicContact CD2-CZ 4.43Å; K305-F343 HydrophobicContact CG-CD1 3.86Å; K305-F343 HydrophobicContact CG-CE1 3.94Å; G308-F343 CarbonylContact C-O 3.46Å; G308-F343 VanDerWaalsContact CA-O 3.29Å; G308-F343 WeakPolarHBondContact CA-O 3.43Å; F343-L359 HydrophobicContact CB-CB 4.45Å; F343-L359 HydrophobicContact CB-CD2 4.24Å; F343-L359 HydrophobicContact CB-CG 4.29Å; F343-L359 HydrophobicContact CD2-CD2 4.31Å; F343-L359 HydrophobicContact CD2-CG 4.01Å; F343-L359 PolarHBondContact N-O 3.11Å; F343-Q361 HydrophobicContact CE2-CG 3.58Å; F343-Q361 HydrophobicContact CZ-CG 3.63Å
344G98Very high94.4Very high0 Ų028.1 Ų28.10%017%0.165CC..EExtended strand (participates in β ladder)trans-170.9154-176.700000112.3G308 M337 T358 L359G308-G344 WeakPolarHBondContact O-CA 3.4Å; M337-G344 VanDerWaalsContact SD-CA 3.59Å; G344-T358 CarbonylContact O-C 3.25Å; G344-T358 WeakPolarHBondContact O-CA 3.31Å; G344-L359 PolarHBondContact N-O 3.26Å; G344-L359 PolarHBondContact O-N 3.47Å
345S98.3Very high94.1Very high0 Ų025.1 Ų25.10%014%0.144CC..EExtended strand (participates in β ladder)trans-144.6146178.3-168.70000110.7V333 M337 V357 T358V333-S345 WeakPolarHBondContact CG1-O 3.39Å; M337-S345 PolarHBondContact SD-N 2.86Å; S345-V357 WeakPolarHBondContact CA-O 3.35Å; S345-T358 PolarHBondContact OG-OG1 3.28Å
346R98.3Very high94Very high0 Ų025 Ų250%014%0.143CC..EExtended strand (participates in β ladder)trans-156.9159.3178.256.6-178.8-67.2-59.3-24.5112.4N41 L42 E45 M311 S314 H315 T356 V357N41-R346 PolarHBondContact O-NH1 3.41Å; L42-R346 VanDerWaalsContact O-CD 3.3Å; L42-R346 WeakPolarHBondContact O-CD 3.37Å; L42-R346 PolarHBondContact O-NH1 3.46Å; E45-R346 IonicContact OE1-CZ 3.72Å; E45-R346 VanDerWaalsContact OE1-CZ 3.27Å; E45-R346 IonicContact OE1-NH1 3.91Å; E45-R346 PolarHBondContact OE1-NH1 3.32Å; E45-R346 IonicContact OE1-NH2 3.95Å; E45-R346 PolarHBondContact OE1-NH2 3.29Å; E45-R346 IonicContact OE2-CZ 3.39Å; E45-R346 IonicContact OE2-NE 3.15Å; E45-R346 IonicContact OE2-NH1 3.27Å; E45-R346 PolarHBondContact OE2-NH1 3.14Å; E45-R346 IonicContact OE2-NH2 3.39Å; E45-R346 PolarHBondContact OE2-NH2 3.25Å; M311-R346 HydrophobicContact CB-CG 4.07Å; M311-R346 HydrophobicContact CE-CG 3.92Å; M311-R346 HydrophobicContact CG-CG 4.5Å; M311-R346 WeakPolarHBondContact O-CB 3.3Å; M311-R346 WeakPolarHBondContact O-CD 3.26Å; S314-R346 PolarHBondContact OG-NE 2.94Å; S314-R346 PolarHBondContact OG-NH2 3.24Å; H315-R346 HydrophobicContact CB-CB 3.63Å; R346-T356 CarbonylContact O-C 3.4Å; R346-T356 WeakPolarHBondContact O-CA 3.48Å; R346-T356 VanDerWaalsContact O-CB 3.27Å; R346-T356 WeakPolarHBondContact O-CB 3.4Å; R346-V357 HydrophobicContact CG-CG1 3.76Å; R346-V357 PolarHBondContact N-O 3.06Å; R346-V357 PolarHBondContact O-N 3.42Å
347M95.6Very high93.9Very high0 Ų025 Ų250%014%0.143CC..EExtended strand (participates in β ladder)trans-60.2154.8165.462.6156.1-78.900111.1H315 L318 V324 L329 G349H315-M347 PolarHBondContact ND1-N 3.22Å; L318-M347 HydrophobicContact CB-CG 4.38Å; L318-M347 HydrophobicContact CB-SD 3.97Å; L318-M347 HydrophobicContact CD1-CE 4.36Å; L318-M347 HydrophobicContact CD1-CG 3.81Å; L318-M347 HydrophobicContact CD1-SD 4.03Å; L318-M347 HydrophobicContact CG-SD 4.46Å; V324-M347 HydrophobicContact CG2-CE 4.21Å; V324-M347 HydrophobicContact CG2-SD 4.04Å; L329-M347 HydrophobicContact CB-CB 4.33Å; L329-M347 HydrophobicContact CD1-CB 3.84Å; L329-M347 HydrophobicContact CD1-SD 4.26Å; L329-M347 HydrophobicContact CD2-CB 4.24Å; L329-M347 HydrophobicContact CG-CB 4.37Å; M347-G349 WeakPolarHBondContact CE-O 3.2Å
348T91.5Very high93.8Very high2 Ų221.5 Ų21.51%0.01213%0.126CC..EExtended strand (participates in β ladder)trans-136.3145.4176.7-173.40000111V40 N41 C355 V357V40-T348 HydrophobicContact CG2-CG2 3.83Å; N41-T348 PolarHBondContact N-OG1 2.92Å; N41-T348 PolarHBondContact O-OG1 2.93Å; T348-C355 HydrophobicContact CG2-CB 3.92Å; T348-C355 PolarHBondContact N-O 2.91Å; T348-V357 HydrophobicContact CG2-CB 4.26Å; T348-V357 HydrophobicContact CG2-CG1 4.45Å
349G86.6Confident93.7Very high8 Ų816.4 Ų16.48%0.08210%0.102CC..SBendtrans84-153.4-174.300000113.3M347 G351M347-G349 WeakPolarHBondContact CE-O 3.2Å; G349-G351 VanDerWaalsContact C-N 3.32Å; G349-G351 PolarHBondContact O-N 2.89Å
350G83.3Confident93.6Very high37 Ų3716 Ų1638%0.38110%0.1SC..SBendtrans-77.2-4.7-169.200000116.9
351G87.8Confident93.5Very high18 Ų1811.9 Ų11.919%0.1868%0.081CC..  trans82.5-168.2177.700000115.7V324 G349 G353V324-G351 CarbonylContact O-C 3.49Å; V324-G351 WeakPolarHBondContact O-CA 3.06Å; G349-G351 VanDerWaalsContact C-N 3.32Å; G349-G351 PolarHBondContact O-N 2.89Å; G351-G353 PolarHBondContact O-N 3.07Å
352F88.4Confident93.3Very high32 Ų3212.9 Ų12.914%0.149%0.088CC..SBendtrans58.632.6-178.9-47.9-85.4000113.9H233 L235 E239 V324H233-F352 WeakPolarHBondContact CB-O 3.42Å; H233-F352 PolarHBondContact CD2-O 3.1Å; H233-F352 PolarHBondContact N-O 3.35Å; L235-F352 HydrophobicContact CD1-CB 3.59Å; L235-F352 HydrophobicContact CD1-CD1 4.16Å; L235-F352 HydrophobicContact CD1-CD2 3.23Å; L235-F352 HydrophobicContact CD1-CE2 3.84Å; L235-F352 HydrophobicContact CD1-CG 3.4Å; L235-F352 HydrophobicContact CD1-CZ 4.5Å; L235-F352 HydrophobicContact CD2-CB 4.12Å; L235-F352 HydrophobicContact CD2-CD1 3.97Å; L235-F352 HydrophobicContact CD2-CE1 4.48Å; L235-F352 HydrophobicContact CD2-CG 3.97Å; L235-F352 HydrophobicContact CG-CB 4.04Å; L235-F352 HydrophobicContact CG-CD2 4.4Å; L235-F352 HydrophobicContact CG-CG 4.13Å; E239-F352 HydrophobicContact CB-CE2 3.94Å; E239-F352 HydrophobicContact CB-CZ 3.8Å; E239-F352 HydrophobicContact CG-CE1 4.36Å; E239-F352 HydrophobicContact CG-CZ 4.05Å; V324-F352 HydrophobicContact CB-CD2 4.4Å; V324-F352 HydrophobicContact CB-CE2 3.83Å; V324-F352 HydrophobicContact CB-CZ 3.94Å; V324-F352 HydrophobicContact CG1-CE2 3.74Å; V324-F352 HydrophobicContact CG1-CZ 3.68Å; V324-F352 PolarHBondContact O-N 3.18Å
353G88.5Confident93.1Very high8 Ų819 Ų198%0.08212%0.115CC..EExtended strand (participates in β ladder)trans123.1-165.5-172.800000111.6I231 C326 G351I231-G353 WeakPolarHBondContact O-CA 3.42Å; C326-G353 PolarHBondContact SG-N 3.43Å; G351-G353 PolarHBondContact O-N 3.07Å
354G89.3Confident92.9Very high7 Ų717.7 Ų17.77%0.07211%0.11CC..EExtended strand (participates in β ladder)trans81.6-133.9-176.200000112.3N228 S229 I231N228-G354 PolarHBondContact OD1-O 3.49Å; S229-G354 WeakPolarHBondContact CB-O 3.5Å; S229-G354 PolarHBondContact N-O 3.16Å; S229-G354 PolarHBondContact OG-N 2.84Å; S229-G354 PolarHBondContact OG-O 2.97Å; I231-G354 PolarHBondContact O-N 3.4Å
355C92.1Very high92.7Very high1 Ų118.6 Ų18.61%0.00711%0.114CC..EExtended strand (participates in β ladder)trans-109.7156.2-167.6-61.40000114.3G141 L143 I226 T227 T348G141-C355 PolarHBondContact O-SG 2.96Å; L143-C355 HydrophobicContact CD2-CB 4.32Å; I226-C355 HydrophobicContact CG2-CB 3.73Å; T227-C355 CarbonylContact O-C 3.57Å; T227-C355 WeakPolarHBondContact O-CA 3.47Å; T348-C355 HydrophobicContact CG2-CB 3.92Å; T348-C355 PolarHBondContact N-O 2.91Å
356T95.6Very high92.4Very high1 Ų122.2 Ų22.21%0.00613%0.134CC..EExtended strand (participates in β ladder)trans-104.5157.7157.666.10000110.4I226 T227 L329 L332 V333 R346I226-T356 CarbonylContact C-O 3.58Å; I226-T356 VanDerWaalsContact CA-O 3.27Å; I226-T356 WeakPolarHBondContact CA-O 3.5Å; I226-T356 WeakPolarHBondContact CG2-O 3.44Å; T227-T356 WeakPolarHBondContact CB-OG1 3.32Å; T227-T356 PolarHBondContact N-O 2.61Å; T227-T356 PolarHBondContact O-N 3.1Å; L329-T356 HydrophobicContact CD2-CG2 3.83Å; L332-T356 HydrophobicContact CB-CG2 3.76Å; L332-T356 HydrophobicContact CD1-CG2 4.12Å; V333-T356 HydrophobicContact CG2-CG2 3.82Å; R346-T356 CarbonylContact O-C 3.4Å; R346-T356 WeakPolarHBondContact O-CA 3.48Å; R346-T356 VanDerWaalsContact O-CB 3.27Å; R346-T356 WeakPolarHBondContact O-CB 3.4Å
357V95.3Very high92.3Very high0 Ų027.9 Ų27.90%016%0.158CC..EExtended strand (participates in β ladder)trans-122.3130.3172.363.10000109V40 L42 I224 M311 S345 R346 T348V40-V357 HydrophobicContact CG2-CB 3.85Å; V40-V357 HydrophobicContact CG2-CG1 4.49Å; V40-V357 HydrophobicContact CG2-CG2 3.78Å; L42-V357 HydrophobicContact CD2-CG2 4.12Å; I224-V357 HydrophobicContact CG2-CG2 3.5Å; I224-V357 VanDerWaalsContact CG2-CG2 3.5Å; M311-V357 HydrophobicContact CE-CG1 3.98Å; M311-V357 VanDerWaalsContact CE-O 3.29Å; M311-V357 WeakPolarHBondContact CE-O 3.4Å; S345-V357 WeakPolarHBondContact CA-O 3.35Å; R346-V357 HydrophobicContact CG-CG1 3.76Å; R346-V357 PolarHBondContact N-O 3.06Å; R346-V357 PolarHBondContact O-N 3.42Å; T348-V357 HydrophobicContact CG2-CB 4.26Å; T348-V357 HydrophobicContact CG2-CG1 4.45Å
358T96.7Very high92.3Very high1 Ų127.9 Ų27.91%0.00616%0.158CC..EExtended strand (participates in β ladder)trans-126.5128.2-176-53.70000109.5I224 L225 A336 V342 G344 S345 L360I224-T358 WeakPolarHBondContact CA-O 3.27Å; L225-T358 PolarHBondContact N-O 3.17Å; L225-T358 PolarHBondContact O-N 3.36Å; A336-T358 HydrophobicContact CB-CG2 4.2Å; V342-T358 HydrophobicContact CG1-CG2 3.53Å; V342-T358 HydrophobicContact CG2-CG2 4.23Å; G344-T358 CarbonylContact O-C 3.25Å; G344-T358 WeakPolarHBondContact O-CA 3.31Å; S345-T358 PolarHBondContact OG-OG1 3.28Å; T358-L360 HydrophobicContact CG2-CD2 4.12Å; T358-L360 WeakPolarHBondContact O-CD2 3.3Å
359L95.8Very high92.5Very high4 Ų427.9 Ų27.92%0.02116%0.158CC..EExtended strand (participates in β ladder)trans-95.6125.1170.2-17867.5000109L222 I224 F307 M311 F343 G344L222-L359 HydrophobicContact CD1-CD1 4.27Å; I224-L359 HydrophobicContact CG1-CD1 3.94Å; F307-L359 HydrophobicContact CB-CD2 4.48Å; F307-L359 HydrophobicContact CD1-CD2 3.51Å; F307-L359 HydrophobicContact CE1-CD2 4.13Å; F307-L359 HydrophobicContact CG-CD2 4.29Å; M311-L359 HydrophobicContact CE-CB 4.42Å; M311-L359 HydrophobicContact SD-CB 3.82Å; F343-L359 HydrophobicContact CB-CB 4.45Å; F343-L359 HydrophobicContact CB-CD2 4.24Å; F343-L359 HydrophobicContact CB-CG 4.29Å; F343-L359 HydrophobicContact CD2-CD2 4.31Å; F343-L359 HydrophobicContact CD2-CG 4.01Å; F343-L359 PolarHBondContact N-O 3.11Å; G344-L359 PolarHBondContact N-O 3.26Å; G344-L359 PolarHBondContact O-N 3.47Å
360L95.8Very high93Very high0 Ų031.7 Ų31.70%018%0.176CC..EExtended strand (participates in β ladder)trans-148.5163.8-176.367.5157000112.5V223 L225 G341 V342 T358 A364 I365 A368V223-L360 HydrophobicContact CB-CD2 4.41Å; V223-L360 HydrophobicContact CB-CG 4.42Å; V223-L360 HydrophobicContact CG1-CD2 4.31Å; V223-L360 PolarHBondContact N-O 3.49Å; V223-L360 WeakPolarHBondContact O-CD2 3.43Å; V223-L360 PolarHBondContact O-N 3.02Å; V223-L360 VanDerWaalsContact O-N 3.08Å; L225-L360 HydrophobicContact CB-CD2 3.5Å; G341-L360 CarbonylContact O-C 3.57Å; G341-L360 WeakPolarHBondContact O-CA 3.5Å; V342-L360 HydrophobicContact CB-CB 4.42Å; V342-L360 HydrophobicContact CG2-CB 3.95Å; T358-L360 HydrophobicContact CG2-CD2 4.12Å; T358-L360 WeakPolarHBondContact O-CD2 3.3Å; L360-A364 HydrophobicContact CD1-CB 4.33Å; L360-I365 HydrophobicContact CD1-CB 4.2Å; L360-I365 HydrophobicContact CD1-CG1 4.46Å; L360-A368 HydrophobicContact CD1-CB 3.97Å
361Q95.3Very high93.6Very high66 Ų6632 Ų3231%0.30817%0.168SC..EExtended strand (participates in β ladder)trans-69.5140.4169.9-64.8177.1-2800110.4S221 G341 F343 H363 A364S221-Q361 CarbonylContact O-C 3.57Å; S221-Q361 WeakPolarHBondContact O-CA 3.19Å; G341-Q361 PolarHBondContact O-N 3.31Å; F343-Q361 HydrophobicContact CE2-CG 3.58Å; F343-Q361 HydrophobicContact CZ-CG 3.63Å; Q361-H363 PolarHBondContact O-N 3.02Å; Q361-H363 VanDerWaalsContact O-N 3.15Å; Q361-H363 PolarHBondContact OE1-CE1 3.42Å; Q361-H363 PolarHBondContact OE1-NE2 2.91Å; Q361-A364 WeakPolarHBondContact O-CB 3.15Å; Q361-A364 PolarHBondContact O-N 3.45Å
362A91.8Very high94.1Very high34 Ų3431.2 Ų31.228%0.28116%0.159SC..G310 helixtrans-56.6-35.8-17500000113.4S221 V223 A364 I365S221-A362 PolarHBondContact O-N 3.2Å; V223-A362 HydrophobicContact CG2-CB 3.75Å; A362-A364 VanDerWaalsContact C-N 3.29Å; A362-A364 PolarHBondContact O-N 2.98Å; A362-I365 VanDerWaalsContact O-CG2 3.23Å; A362-I365 WeakPolarHBondContact O-CG2 3.31Å
363H93Very high94.4Very high150 Ų15034.2 Ų34.269%0.69417%0.173SC*.G310 helixtrans-74.3-16.9179.667.7-98.3000113.8Q361 I365Q361-H363 PolarHBondContact O-N 3.02Å; Q361-H363 VanDerWaalsContact O-N 3.15Å; Q361-H363 PolarHBondContact OE1-CE1 3.42Å; Q361-H363 PolarHBondContact OE1-NE2 2.91Å; H363-I365 VanDerWaalsContact C-N 3.33Å
364A94.9Very high94.7Very high3 Ų341.6 Ų41.63%0.02521%0.206CC..G310 helixtrans-85.8-6.9-17900000113E340 L360 Q361 A362 D366 K367 A368E340-A364 WeakPolarHBondContact O-CB 3.39Å; L360-A364 HydrophobicContact CD1-CB 4.33Å; Q361-A364 WeakPolarHBondContact O-CB 3.15Å; Q361-A364 PolarHBondContact O-N 3.45Å; A362-A364 VanDerWaalsContact C-N 3.29Å; A362-A364 PolarHBondContact O-N 2.98Å; A364-D366 PolarHBondContact O-N 2.93Å; A364-K367 PolarHBondContact O-N 2.97Å; A364-A368 WeakPolarHBondContact O-CB 3.34Å; A364-A368 PolarHBondContact O-N 3.43Å
365I92.9Very high95.1Very high18 Ų1846.6 Ų46.69%0.09223%0.226CC..Hα-helixtrans-59.3-47.4-169.6-163.9177.2000114.2V223 L360 A362 H363 K367 A368 I369 V384V223-I365 HydrophobicContact CG1-CD1 3.76Å; V223-I365 HydrophobicContact CG1-CG1 4.44Å; L360-I365 HydrophobicContact CD1-CB 4.2Å; L360-I365 HydrophobicContact CD1-CG1 4.46Å; A362-I365 VanDerWaalsContact O-CG2 3.23Å; A362-I365 WeakPolarHBondContact O-CG2 3.31Å; H363-I365 VanDerWaalsContact C-N 3.33Å; I365-K367 VanDerWaalsContact C-N 3.33Å; I365-K367 PolarHBondContact O-N 3.3Å; I365-A368 PolarHBondContact O-N 2.9Å; I365-I369 HydrophobicContact CG1-CD1 4.11Å; I365-I369 WeakPolarHBondContact O-CG1 3.29Å; I365-I369 PolarHBondContact O-N 3.18Å; I365-V384 HydrophobicContact CD1-CB 4.21Å; I365-V384 HydrophobicContact CD1-CG1 3.7Å; I365-V384 HydrophobicContact CD1-CG2 3.42Å; I365-V384 VanDerWaalsContact CD1-CG2 3.42Å; I365-V384 HydrophobicContact CG1-CG2 4.38Å
366D93.1Very high95.3Very high76 Ų7647 Ų4741%0.40623%0.227SC..Hα-helixtrans-69-37-176.8-75.5-30.7000110.6I1 A364 L370I1-D366 VanDerWaalsContact N-CG 3.28Å; I1-D366 PolarHBondContact N-OD1 3.36Å; I1-D366 PolarHBondContact N-OD2 2.73Å; I1-D366 VanDerWaalsContact N-OD2 3.11Å; A364-D366 PolarHBondContact O-N 2.93Å; D366-L370 WeakPolarHBondContact O-CB 3.35Å; D366-L370 VanDerWaalsContact O-CG 3.27Å; D366-L370 WeakPolarHBondContact O-CG 3.39Å; D366-L370 PolarHBondContact O-N 2.86Å; D366-L370 VanDerWaalsContact O-N 3.15Å
367K95.6Very high95.1Very high119 Ų11951.1 Ų51.152%0.51726%0.256SS..Hα-helixtrans-65.1-42173.5-172.5-178.7177.1-175.60111.2V339 A364 I365 H371V339-K367 HydrophobicContact CG1-CB 4.35Å; V339-K367 HydrophobicContact CG1-CD 4.11Å; V339-K367 HydrophobicContact CG1-CG 4.01Å; A364-K367 PolarHBondContact O-N 2.97Å; I365-K367 VanDerWaalsContact C-N 3.33Å; I365-K367 PolarHBondContact O-N 3.3Å; K367-H371 VanDerWaalsContact O-CB 3.27Å; K367-H371 WeakPolarHBondContact O-CB 3.39Å; K367-H371 PolarHBondContact O-N 3.19Å
368A96Very high95Very high0 Ų052.6 Ų52.60%027%0.271CS..Hα-helixtrans-63.7-47.317900000112.2L225 V339 L360 A364 I365 H371 I372L225-A368 HydrophobicContact CD2-CB 4.29Å; V339-A368 HydrophobicContact CG1-CB 4.09Å; L360-A368 HydrophobicContact CD1-CB 3.97Å; A364-A368 WeakPolarHBondContact O-CB 3.34Å; A364-A368 PolarHBondContact O-N 3.43Å; I365-A368 PolarHBondContact O-N 2.9Å; A368-H371 PolarHBondContact O-N 3.08Å; A368-I372 WeakPolarHBondContact O-CB 3.41Å; A368-I372 WeakPolarHBondContact O-CD1 3.48Å; A368-I372 WeakPolarHBondContact O-CG1 3.5Å; A368-I372 PolarHBondContact O-N 3.2Å
369I95.3Very high94.8Very high2 Ų258 Ų581%0.0130%0.304CS..Hα-helixtrans-59.3-50.1178.4-72.1171.1000110.8M3 V4 L225 I365 H371 Q373 F382M3-I369 HydrophobicContact CB-CG2 4.14Å; V4-I369 HydrophobicContact CG2-CD1 3.81Å; L225-I369 HydrophobicContact CD1-CD1 4.29Å; L225-I369 HydrophobicContact CD1-CG1 4.09Å; L225-I369 HydrophobicContact CD2-CG1 4.23Å; I365-I369 HydrophobicContact CG1-CD1 4.11Å; I365-I369 WeakPolarHBondContact O-CG1 3.29Å; I365-I369 PolarHBondContact O-N 3.18Å; I369-H371 PolarHBondContact O-N 2.96Å; I369-Q373 VanDerWaalsContact O-CB 3.26Å; I369-Q373 WeakPolarHBondContact O-CB 3.44Å; I369-Q373 PolarHBondContact O-N 2.91Å; I369-F382 HydrophobicContact CD1-CB 4.37Å; I369-F382 HydrophobicContact CG1-CB 4.3Å; I369-F382 HydrophobicContact CG1-CD1 4.03Å; I369-F382 HydrophobicContact CG1-CE1 4.48Å; I369-F382 HydrophobicContact CG1-CG 4.03Å; I369-F382 HydrophobicContact CG2-CD2 3.72Å; I369-F382 HydrophobicContact CG2-CE2 3.79Å; I369-F382 HydrophobicContact CG2-CG 4.1Å; I369-F382 HydrophobicContact CG2-CZ 4.23Å; I369-F382 WeakPolarHBondContact O-CZ 3.38Å
370L95.9Very high94.7Very high89 Ų8958.4 Ų58.447%0.46631%0.307SS..Hα-helixtrans-59.9-47.6-179.9-73.4171.1000111.9M3 D366 Q373 E374M3-L370 HydrophobicContact CE-CD2 3.51Å; M3-L370 HydrophobicContact SD-CD2 3.61Å; D366-L370 WeakPolarHBondContact O-CB 3.35Å; D366-L370 VanDerWaalsContact O-CG 3.27Å; D366-L370 WeakPolarHBondContact O-CG 3.39Å; D366-L370 PolarHBondContact O-N 2.86Å; D366-L370 VanDerWaalsContact O-N 3.15Å; L370-Q373 PolarHBondContact O-N 3.25Å; L370-E374 WeakPolarHBondContact O-CB 3.21Å; L370-E374 PolarHBondContact O-N 2.83Å
371H97.4Very high94.5Very high44 Ų4459.8 Ų59.820%0.20432%0.316CS..Hα-helixtrans-66.7-43.4-177.6-171.384.1000112.3A335 E338 V339 K367 A368 I369 Q373 E374 K375A335-H371 PolarHBondContact O-CD2 2.96Å; A335-H371 VanDerWaalsContact O-CD2 3.23Å; E338-H371 WeakPolarHBondContact CB-NE2 3.43Å; E338-H371 IonicContact OE2-CD2 3.97Å; E338-H371 IonicContact OE2-CE1 3.36Å; E338-H371 PolarHBondContact OE2-CE1 3.48Å; E338-H371 IonicContact OE2-NE2 2.73Å; E338-H371 PolarHBondContact OE2-NE2 3.16Å; V339-H371 HydrophobicContact CG2-CB 3.69Å; K367-H371 VanDerWaalsContact O-CB 3.27Å; K367-H371 WeakPolarHBondContact O-CB 3.39Å; K367-H371 PolarHBondContact O-N 3.19Å; A368-H371 PolarHBondContact O-N 3.08Å; I369-H371 PolarHBondContact O-N 2.96Å; H371-Q373 VanDerWaalsContact C-N 3.32Å; H371-Q373 PolarHBondContact O-N 2.98Å; H371-E374 PolarHBondContact O-N 3.29Å; H371-K375 WeakPolarHBondContact O-CB 3.49Å; H371-K375 VanDerWaalsContact O-CG 3.3Å; H371-K375 WeakPolarHBondContact O-CG 3.41Å; H371-K375 PolarHBondContact O-N 3.28Å
372I96.9Very high94.2Very high0 Ų056.8 Ų56.80%030%0.302CS..Hα-helixtrans-62.8-42.2176.2-66.5163.9000110.3L225 T227 L332 A335 A336 A368 E374 K375 Y376 F382L225-I372 HydrophobicContact CD2-CD1 4.09Å; T227-I372 HydrophobicContact CG2-CG2 4.19Å; L332-I372 HydrophobicContact CD2-CG2 3.52Å; A335-I372 HydrophobicContact CB-CG1 4.2Å; A336-I372 HydrophobicContact CB-CD1 3.79Å; A336-I372 HydrophobicContact CB-CG1 4.19Å; A368-I372 WeakPolarHBondContact O-CB 3.41Å; A368-I372 WeakPolarHBondContact O-CD1 3.48Å; A368-I372 WeakPolarHBondContact O-CG1 3.5Å; A368-I372 PolarHBondContact O-N 3.2Å; I372-E374 VanDerWaalsContact C-N 3.33Å; I372-E374 PolarHBondContact O-N 2.79Å; I372-K375 PolarHBondContact O-N 3.44Å; I372-Y376 WeakPolarHBondContact O-CB 3.49Å; I372-Y376 PolarHBondContact O-N 3.29Å; I372-F382 HydrophobicContact CB-CE1 3.89Å; I372-F382 HydrophobicContact CB-CZ 3.98Å; I372-F382 HydrophobicContact CD1-CE1 4.24Å; I372-F382 HydrophobicContact CG2-CE1 3.7Å; I372-F382 HydrophobicContact CG2-CZ 3.84Å
373Q94.9Very high93.9Very high95 Ų9555.5 Ų55.544%0.44429%0.289SS..Hα-helixtrans-65.8-34.4179-172.4173.2-11.400112.9I369 L370 H371 P380 F382I369-Q373 VanDerWaalsContact O-CB 3.26Å; I369-Q373 WeakPolarHBondContact O-CB 3.44Å; I369-Q373 PolarHBondContact O-N 2.91Å; L370-Q373 PolarHBondContact O-N 3.25Å; H371-Q373 VanDerWaalsContact C-N 3.32Å; H371-Q373 PolarHBondContact O-N 2.98Å; Q373-P380 HydrophobicContact CB-CG 4.42Å; Q373-P380 HydrophobicContact CG-CG 4.44Å; Q373-F382 HydrophobicContact CB-CE2 4.05Å; Q373-F382 HydrophobicContact CB-CZ 4.09Å
374E95.9Very high93.4Very high163 Ų16350.5 Ų50.576%0.76227%0.269SS*.Hα-helixtrans-73.6-38176.6-175.7178-175.900112.4L370 H371 I372L370-E374 WeakPolarHBondContact O-CB 3.21Å; L370-E374 PolarHBondContact O-N 2.83Å; H371-E374 PolarHBondContact O-N 3.29Å; I372-E374 VanDerWaalsContact C-N 3.33Å; I372-E374 PolarHBondContact O-N 2.79Å
375K96.1Very high92.3Very high112 Ų11250.6 Ų50.649%0.48727%0.27SS..Hα-helixtrans-83.5-33.9-175.8-71.4-71.8-172160.20113.9A335 E338 H371 I372A335-K375 HydrophobicContact CB-CB 3.69Å; A335-K375 HydrophobicContact CB-CG 4.27Å; E338-K375 WeakPolarHBondContact OE2-CE 3.32Å; E338-K375 IonicContact OE2-NZ 3.41Å; H371-K375 WeakPolarHBondContact O-CB 3.49Å; H371-K375 VanDerWaalsContact O-CG 3.3Å; H371-K375 WeakPolarHBondContact O-CG 3.41Å; H371-K375 PolarHBondContact O-N 3.28Å; I372-K375 PolarHBondContact O-N 3.44Å
376Y96.6Very high91Very high9 Ų954.1 Ų54.14%0.03529%0.292CS..  trans-73.4130.6-177.2-178.9-130.4000110.5S229 E328 E331 L332 I372 G378 P380S229-Y376 PolarHBondContact O-OH 2.8Å; S229-Y376 VanDerWaalsContact O-OH 3.14Å; E328-Y376 HydrophobicContact CB-CE2 3.86Å; E328-Y376 WeakPolarHBondContact CB-OH 3.36Å; E328-Y376 HydrophobicContact CG-CE2 4.22Å; E331-Y376 HydrophobicContact CB-CD2 4.03Å; E331-Y376 WeakPolarHBondContact OE2-CD2 3.31Å; L332-Y376 HydrophobicContact CD2-CD1 3.77Å; L332-Y376 HydrophobicContact CD2-CD2 3.85Å; L332-Y376 HydrophobicContact CD2-CE1 4.27Å; L332-Y376 HydrophobicContact CD2-CE2 4.38Å; L332-Y376 HydrophobicContact CD2-CG 3.54Å; L332-Y376 HydrophobicContact CG-CD1 4.5Å; L332-Y376 HydrophobicContact CG-CD2 3.98Å; L332-Y376 HydrophobicContact CG-CE2 4.16Å; L332-Y376 HydrophobicContact CG-CG 4.18Å; I372-Y376 WeakPolarHBondContact O-CB 3.49Å; I372-Y376 PolarHBondContact O-N 3.29Å; Y376-G378 VanDerWaalsContact C-N 3.26Å; Y376-G378 VanDerWaalsContact CE1-CA 3.44Å; Y376-G378 PolarHBondContact O-N 3.48Å; Y376-P380 HydrophobicContact CD1-CB 3.76Å; Y376-P380 HydrophobicContact CD1-CG 3.79Å; Y376-P380 HydrophobicContact CE1-CB 4.17Å
377S92.8Very high89.5Confident89 Ų8951 Ų5162%0.62228%0.276SS*.SBendtrans-71-20.7-177.658.10000114E331E331-S377 PolarHBondContact OE2-N 2.62Å; E331-S377 PolarHBondContact OE2-OG 3.48Å
378G92.8Very high87.9Confident30 Ų3045.9 Ų45.931%0.30926%0.255SS..SBendtrans-93.4-161.3177.900000113.6Y376Y376-G378 VanDerWaalsContact C-N 3.26Å; Y376-G378 VanDerWaalsContact CE1-CA 3.44Å; Y376-G378 PolarHBondContact O-N 3.48Å
379T92.9Very high86.6Confident115 Ų11550.9 Ų50.971%0.70628%0.279SS*.  trans-112.6100.7173.7-55.90000108.2N230N230-T379 PolarHBondContact ND2-O 3.14Å
380P93.2Very high85.6Confident13 Ų1351.2 Ų51.28%0.08428%0.282CS..  trans-80.9151.5-177.330.5-25.7000111T227 N228 L332 Q373 Y376 F382T227-P380 HydrophobicContact CG2-CB 3.73Å; N228-P380 CarbonylContact O-C 3.58Å; N228-P380 VanDerWaalsContact O-CA 3.26Å; N228-P380 WeakPolarHBondContact O-CA 3.2Å; L332-P380 HydrophobicContact CD2-CB 4.26Å; Q373-P380 HydrophobicContact CB-CG 4.42Å; Q373-P380 HydrophobicContact CG-CG 4.44Å; Y376-P380 HydrophobicContact CD1-CB 3.76Å; Y376-P380 HydrophobicContact CD1-CG 3.79Å; Y376-P380 HydrophobicContact CE1-CB 4.17Å; P380-F382 HydrophobicContact CB-CE1 4.45Å; P380-F382 HydrophobicContact CB-CE2 4.16Å; P380-F382 HydrophobicContact CB-CZ 3.95Å; P380-F382 HydrophobicContact CG-CE2 3.72Å; P380-F382 HydrophobicContact CG-CZ 3.6Å
381T90.8Very high84.9Confident28 Ų2848.1 Ų48.117%0.17227%0.268CS..EExtended strand (participates in β ladder)trans-111.8128.2167.1-53.20000109.6T5 N228 N230 Y383T5-T381 HydrophobicContact CG2-CG2 4.33Å; T5-T381 WeakPolarHBondContact OG1-CG2 3.49Å; N228-T381 PolarHBondContact N-O 2.95Å; N228-T381 PolarHBondContact O-N 3.42Å; N230-T381 PolarHBondContact ND2-N 2.85Å; N230-T381 PolarHBondContact ND2-OG1 2.91Å; N230-T381 PolarHBondContact OD1-OG1 3.43Å; T381-Y383 HydrophobicContact CG2-CD1 4.21Å; T381-Y383 HydrophobicContact CG2-CE1 3.37Å
382F89.9Confident84.5Confident4 Ų448.7 Ų48.72%0.01827%0.269CS..EExtended strand (participates in β ladder)trans-102.6137.1-177.1-58.9-80.9000112.2L225 T227 I369 I372 Q373 P380L225-F382 HydrophobicContact CD1-CB 4.15Å; L225-F382 HydrophobicContact CD1-CD1 4.13Å; L225-F382 HydrophobicContact CD2-CD1 4.41Å; T227-F382 HydrophobicContact CG2-CD1 3.67Å; T227-F382 HydrophobicContact CG2-CE1 3.43Å; T227-F382 VanDerWaalsContact CG2-CE1 3.43Å; T227-F382 HydrophobicContact CG2-CZ 4.22Å; T227-F382 WeakPolarHBondContact OG1-CD1 3.42Å; I369-F382 HydrophobicContact CD1-CB 4.37Å; I369-F382 HydrophobicContact CG1-CB 4.3Å; I369-F382 HydrophobicContact CG1-CD1 4.03Å; I369-F382 HydrophobicContact CG1-CE1 4.48Å; I369-F382 HydrophobicContact CG1-CG 4.03Å; I369-F382 HydrophobicContact CG2-CD2 3.72Å; I369-F382 HydrophobicContact CG2-CE2 3.79Å; I369-F382 HydrophobicContact CG2-CG 4.1Å; I369-F382 HydrophobicContact CG2-CZ 4.23Å; I369-F382 WeakPolarHBondContact O-CZ 3.38Å; I372-F382 HydrophobicContact CB-CE1 3.89Å; I372-F382 HydrophobicContact CB-CZ 3.98Å; I372-F382 HydrophobicContact CD1-CE1 4.24Å; I372-F382 HydrophobicContact CG2-CE1 3.7Å; I372-F382 HydrophobicContact CG2-CZ 3.84Å; Q373-F382 HydrophobicContact CB-CE2 4.05Å; Q373-F382 HydrophobicContact CB-CZ 4.09Å; P380-F382 HydrophobicContact CB-CE1 4.45Å; P380-F382 HydrophobicContact CB-CE2 4.16Å; P380-F382 HydrophobicContact CB-CZ 3.95Å; P380-F382 HydrophobicContact CG-CE2 3.72Å; P380-F382 HydrophobicContact CG-CZ 3.6Å
383Y84.6Confident84.2Confident6 Ų652.7 Ų52.72%0.02429%0.293CS..EExtended strand (participates in β ladder)trans-127.8132.3174.9-37.7-62.2000110.4F7 F63 L143 I226 N228 T381F7-Y383 AromaticContact CE2-CD1 3.63Å; F7-Y383 HydrophobicContact CE2-CD1 3.63Å; F7-Y383 AromaticContact CE2-CE1 3.43Å; F7-Y383 HydrophobicContact CE2-CE1 3.43Å; F7-Y383 VanDerWaalsContact CE2-CE1 3.43Å; F7-Y383 HydrophobicContact CZ-CD1 4.29Å; F7-Y383 AromaticContact CZ-CE1 3.65Å; F7-Y383 HydrophobicContact CZ-CE1 3.65Å; F63-Y383 HydrophobicContact CE1-CD1 4.03Å; F63-Y383 HydrophobicContact CE1-CE1 4.22Å; F63-Y383 HydrophobicContact CE1-CG 4.35Å; F63-Y383 HydrophobicContact CE2-CD1 4.32Å; F63-Y383 HydrophobicContact CE2-CG 4.08Å; F63-Y383 AromaticContact CZ-CD1 3.38Å; F63-Y383 HydrophobicContact CZ-CD1 3.38Å; F63-Y383 HydrophobicContact CZ-CD2 4.32Å; F63-Y383 HydrophobicContact CZ-CE1 4.03Å; F63-Y383 AromaticContact CZ-CG 3.53Å; F63-Y383 HydrophobicContact CZ-CG 3.53Å; L143-Y383 HydrophobicContact CD1-CD2 4.24Å; L143-Y383 HydrophobicContact CD1-CE2 3.98Å; I226-Y383 HydrophobicContact CB-CD2 3.97Å; I226-Y383 HydrophobicContact CG2-CD2 3.77Å; I226-Y383 HydrophobicContact CG2-CE2 4.46Å; I226-Y383 PolarHBondContact N-O 2.92Å; I226-Y383 PolarHBondContact O-N 2.58Å; N228-Y383 HydrophobicContact CB-CE2 3.76Å; N228-Y383 PolarHBondContact ND2-OH 2.63Å; T381-Y383 HydrophobicContact CG2-CD1 4.21Å; T381-Y383 HydrophobicContact CG2-CE1 3.37Å
384V82.1Confident83.9Confident45 Ų4548.7 Ų48.727%0.27328%0.275SS..EExtended strand (participates in β ladder)trans-109.3125.5175.8-176.40000107.1V4 V223 L225 I365V4-V384 HydrophobicContact CB-CG2 4.49Å; V4-V384 HydrophobicContact CG1-CB 4.37Å; V4-V384 HydrophobicContact CG1-CG2 3.92Å; V4-V384 HydrophobicContact CG2-CG2 3.66Å; V223-V384 HydrophobicContact CG1-CG1 3.65Å; L225-V384 HydrophobicContact CD1-CG2 4.22Å; I365-V384 HydrophobicContact CD1-CB 4.21Å; I365-V384 HydrophobicContact CD1-CG1 3.7Å; I365-V384 HydrophobicContact CD1-CG2 3.42Å; I365-V384 VanDerWaalsContact CD1-CG2 3.42Å; I365-V384 HydrophobicContact CG1-CG2 4.38Å
385T72.5Confident83.4Confident5 Ų544 Ų443%0.03126%0.259CS..EExtended strand (participates in β ladder)trans-138.6143.9-174.6-160.60000111M57 Q59 A60 I224 I226M57-T385 HydrophobicContact CE-CG2 3.62Å; Q59-T385 WeakPolarHBondContact CA-OG1 3.28Å; Q59-T385 HydrophobicContact CG-CG2 4.44Å; A60-T385 WeakPolarHBondContact CA-OG1 3.31Å; A60-T385 PolarHBondContact N-OG1 2.81Å; A60-T385 PolarHBondContact O-OG1 2.92Å; I224-T385 HydrophobicContact CG2-CG2 4.49Å; I224-T385 PolarHBondContact O-N 2.78Å; I226-T385 HydrophobicContact CD1-CG2 3.76Å; I226-T385 HydrophobicContact CG1-CG2 4.33Å
386T65.9Low82.6Confident92 Ų9240 Ų4056%0.56424%0.244SC*.  trans-104.4171.7165.151.70000108.9A60A60-T386 WeakPolarHBondContact CA-O 3.4Å; A60-T386 VanDerWaalsContact CB-C 3.48Å; A60-T386 WeakPolarHBondContact CB-O 3.36Å; A60-T386 VanDerWaalsContact CB-OG1 3.31Å; A60-T386 WeakPolarHBondContact CB-OG1 3.29Å; A60-T386 PolarHBondContact N-O 3.31Å
387P60.5Low80.9Confident12 Ų1249.4 Ų49.48%0.07829%0.292CS..  trans-79.2137.5171.3-15.831.3000111M57 G200 L217M57-P387 HydrophobicContact SD-CG 4.08Å; G200-P387 PolarHBondContact N-O 3.31Å; L217-P387 HydrophobicContact CB-CG 4.11Å; L217-P387 HydrophobicContact CD2-CG 3.94Å; L217-P387 HydrophobicContact CG-CG 3.94Å; L217-P387 WeakPolarHBondContact O-CG 3.29Å
388S63.8Low80.3Confident10 Ų1047.4 Ų47.47%0.0728%0.275CS..  trans-124.8175.9-179.566.20000114.5K58 Q59 A60 R198 E199K58-S388 WeakPolarHBondContact CD-O 3.35Å; K58-S388 WeakPolarHBondContact CE-OG 3.35Å; Q59-S388 PolarHBondContact O-OG 3.36Å; A60-S388 VanDerWaalsContact CA-OG 3.27Å; A60-S388 WeakPolarHBondContact CA-OG 3.19Å; R198-S388 CarbonylContact C-O 3.59Å; E199-S388 PolarHBondContact N-O 3.1Å
389E68.5Low79.6Confident106 Ų10648.3 Ų48.350%0.49527%0.274SS..  trans-70.4135.8177.2-65.3-166.313700112.7K58 E199 R392K58-E389 VanDerWaalsContact CE-C 3.49Å; K58-E389 WeakPolarHBondContact CE-O 3.37Å; K58-E389 VanDerWaalsContact NZ-C 3.32Å; K58-E389 PolarHBondContact NZ-O 3.24Å; E199-E389 HydrophobicContact CB-CG 4.13Å; E389-R392 PolarHBondContact O-NH1 3.46Å
390G73.1Confident78.9Confident8 Ų844.6 Ų44.68%0.08225%0.25CC..  trans-50.7-159.9178.300000119K58 S194 A197K58-G390 PolarHBondContact NZ-O 3.44Å; K58-G390 VanDerWaalsContact NZ-O 3.15Å; S194-G390 CarbonylContact O-C 3.55Å; A197-G390 PolarHBondContact O-N 3.43Å
391S81.3Confident78Confident24 Ų2446.5 Ų46.517%0.16826%0.259CS..SBendtrans-62.2136.317666.10000111.5C35 V151 S194C35-S391 VanDerWaalsContact O-CA 3.31Å; C35-S391 WeakPolarHBondContact O-CA 3.35Å; V151-S391 VanDerWaalsContact CG1-CB 3.44Å; S194-S391 PolarHBondContact O-N 2.74Å
392R89.3Confident77.2Confident57 Ų5747.6 Ų47.622%0.21527%0.265CS..EExtended strand (participates in β ladder)trans-152.2158.9-175.563.6-178.3-176.1-870.2111.7A34 C35 E389A34-R392 WeakPolarHBondContact CA-O 3.2Å; C35-R392 PolarHBondContact N-O 3.17Å; C35-R392 PolarHBondContact O-N 3.44Å; E389-R392 PolarHBondContact O-NH1 3.46Å
393T91Very high76.4Confident83 Ų8350.5 Ų50.551%0.50928%0.281SS..EExtended strand (participates in β ladder)trans-75.4151.3167.960.40000109.4A33 T155 Q159A33-T393 WeakPolarHBondContact O-CA 3.38Å; T155-T393 HydrophobicContact CG2-CG2 4.39Å; Q159-T393 VanDerWaalsContact CD-CG2 3.44Å; Q159-T393 HydrophobicContact CG-CG2 3.72Å
394L88.9Confident75.8Confident12 Ų1253.7 Ų53.76%0.06330%0.3CS..  trans-116.3142.2176.4-64.4178.8000109.5V10 L14 A33 C35 V66V10-L394 HydrophobicContact CG2-CD1 3.79Å; V10-L394 HydrophobicContact CG2-CD2 4.19Å; L14-L394 HydrophobicContact CD1-CD1 4.19Å; L14-L394 HydrophobicContact CD2-CB 4.36Å; L14-L394 HydrophobicContact CD2-CD1 4.36Å; A33-L394 HydrophobicContact CB-CB 3.89Å; A33-L394 PolarHBondContact O-N 2.94Å; C35-L394 HydrophobicContact CB-CD1 3.87Å; C35-L394 HydrophobicContact CB-CG 4.26Å; V66-L394 HydrophobicContact CG1-CD1 4.09Å; V66-L394 HydrophobicContact CG2-CD1 4.4Å
395S85.5Confident75.3Confident63 Ų6354.4 Ų54.444%0.44130%0.302SS..  trans-67.7133.6169.4178.80000109.8L14 I397L14-S395 WeakPolarHBondContact CD2-O 3.37Å; S395-I397 VanDerWaalsContact C-N 3.31Å; S395-I397 PolarHBondContact OG-N 3.02Å; S395-I397 PolarHBondContact OG-O 2.88Å
396L79.4Confident75.6Confident30 Ų3058.5 Ų58.516%0.15732%0.324CS..  trans-87-2.7168.3-71.3173.1000112.4L14 R18 P30 Q31 A33 V68L14-L396 HydrophobicContact CD1-CD2 4.32Å; R18-L396 HydrophobicContact CG-CD2 3.99Å; R18-L396 PolarHBondContact NH1-O 3.12Å; R18-L396 PolarHBondContact NH2-O 3.5Å; P30-L396 HydrophobicContact CB-CD1 4.29Å; P30-L396 VanDerWaalsContact O-CD1 3.3Å; P30-L396 WeakPolarHBondContact O-CD1 3.33Å; Q31-L396 VanDerWaalsContact C-CD1 3.42Å; A33-L396 HydrophobicContact CB-CD2 3.7Å; A33-L396 HydrophobicContact CB-CG 4.07Å; V68-L396 HydrophobicContact CG1-CD2 4.27Å
397I59.5Low76.4Confident205 Ų20555.5 Ų55.5100%1.05130%0.303SS*.  trans-92.20174-55174.2000108.8S395S395-I397 VanDerWaalsContact C-N 3.31Å; S395-I397 PolarHBondContact OG-N 3.02Å; S395-I397 PolarHBondContact OG-O 2.88Å

Retrieved 397 of 397 residues in 743.7 ms (Link to these results)

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