G4LXQ2_SCHMA Loading...

UDP-N-acetylglucosamine transferase subunit ALG14

AlphaFold DB , UniProt , Accession G4LXQ2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 201 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M62.2Low77.7Confident203 Ų203132.3 Ų132.3100%163%0.632SS**  0-42.30-121.1-174.4-47.100113.5F3 W4M1-F3 VanDerWaalsContact C-N 3.32Å; M1-F3 PolarHBondContact O-N 3.42Å; M1-W4 PolarHBondContact O-N 3.3Å
2I67.4Low78.5Confident125 Ų125127.7 Ų127.764%0.64162%0.619SS**Hα-helixtrans-60.8-32.7-177.4-71.1157.7000114.3W4 I5I2-W4 PolarHBondContact O-N 3.12Å; I2-I5 PolarHBondContact O-N 3.18Å; I2-I5 VanDerWaalsContact O-N 3.12Å
3F68.2Low78.9Confident184 Ų184121 Ų12181%0.80760%0.598SS**Hα-helixtrans-61.7-25.2-177.8-76.2-80.7000114.9M1 P7M1-F3 VanDerWaalsContact C-N 3.32Å; M1-F3 PolarHBondContact O-N 3.42Å; F3-P7 WeakPolarHBondContact O-CD 3.19Å
4W73.5Confident79.2Confident196 Ų196122.6 Ų122.674%0.74260%0.595SS**Hα-helixtrans-90.1-18.1178.2-65.3103.7000113.4M1 I2 P7 I8M1-W4 PolarHBondContact O-N 3.3Å; I2-W4 PolarHBondContact O-N 3.12Å; W4-P7 WeakPolarHBondContact O-CD 3.33Å; W4-I8 HydrophobicContact CB-CD1 4.49Å; W4-I8 VanDerWaalsContact O-CD1 3.3Å; W4-I8 WeakPolarHBondContact O-CD1 3.29Å; W4-I8 WeakPolarHBondContact O-CG1 3.21Å; W4-I8 PolarHBondContact O-N 2.93Å
5I80.3Confident79.6Confident89 Ų89118.9 Ų118.946%0.45658%0.582SS.*Hα-helixtrans-69.3-42.7-176.9-61.1177.8000110.5I2 I8 L9I2-I5 PolarHBondContact O-N 3.18Å; I2-I5 VanDerWaalsContact O-N 3.12Å; I5-I8 PolarHBondContact O-N 3.32Å; I5-L9 HydrophobicContact CG2-CD1 3.74Å; I5-L9 HydrophobicContact CG2-CG 4.2Å; I5-L9 WeakPolarHBondContact O-CB 3.14Å; I5-L9 WeakPolarHBondContact O-CG 3.44Å; I5-L9 PolarHBondContact O-N 3.4Å
6I80Confident80.1Confident112 Ų112118.9 Ų118.957%0.57458%0.575SS**Hα-helixtrans-63.4-50.3-177.1-61.1172.2000111.5I8 L9 W10I6-I8 VanDerWaalsContact C-N 3.34Å; I6-I8 PolarHBondContact O-N 3.38Å; I6-L9 PolarHBondContact O-N 2.99Å; I6-W10 WeakPolarHBondContact O-CB 3.43Å; I6-W10 PolarHBondContact O-N 2.89Å
7P83.6Confident80.2Confident63 Ų63114.6 Ų114.641%0.40955%0.553SS.*Hα-helixtrans-59-42.1175.9-23.832.3000113.2F3 W4 W10 V11F3-P7 WeakPolarHBondContact O-CD 3.19Å; W4-P7 WeakPolarHBondContact O-CD 3.33Å; P7-W10 PolarHBondContact O-N 3.21Å; P7-V11 WeakPolarHBondContact O-CG2 3.3Å; P7-V11 PolarHBondContact O-N 2.87Å
8I86.6Confident80.2Confident102 Ų102115.6 Ų115.652%0.52355%0.551SS.*Hα-helixtrans-64.3-45.4180-68.3168.8000110.7W4 I5 I6 W10 V11 T12W4-I8 HydrophobicContact CB-CD1 4.49Å; W4-I8 VanDerWaalsContact O-CD1 3.3Å; W4-I8 WeakPolarHBondContact O-CD1 3.29Å; W4-I8 WeakPolarHBondContact O-CG1 3.21Å; W4-I8 PolarHBondContact O-N 2.93Å; I5-I8 PolarHBondContact O-N 3.32Å; I6-I8 VanDerWaalsContact C-N 3.34Å; I6-I8 PolarHBondContact O-N 3.38Å; I8-W10 VanDerWaalsContact C-N 3.26Å; I8-W10 PolarHBondContact O-N 2.75Å; I8-V11 PolarHBondContact O-N 3.39Å; I8-T12 HydrophobicContact CG2-CG2 4.35Å; I8-T12 WeakPolarHBondContact O-CB 3.34Å; I8-T12 VanDerWaalsContact O-CG2 3.31Å; I8-T12 WeakPolarHBondContact O-CG2 3.45Å; I8-T12 PolarHBondContact O-N 2.97Å; I8-T12 PolarHBondContact O-OG1 2.96Å
9L85.3Confident80.3Confident109 Ų109114.6 Ų114.657%0.57155%0.549SS*.Hα-helixtrans-61.2-37.8175.1-73.9174.8000111.7I5 I6 T12 A13I5-L9 HydrophobicContact CG2-CD1 3.74Å; I5-L9 HydrophobicContact CG2-CG 4.2Å; I5-L9 WeakPolarHBondContact O-CB 3.14Å; I5-L9 WeakPolarHBondContact O-CG 3.44Å; I5-L9 PolarHBondContact O-N 3.4Å; I6-L9 PolarHBondContact O-N 2.99Å; L9-T12 VanDerWaalsContact CA-OG1 3.29Å; L9-T12 WeakPolarHBondContact CA-OG1 3.31Å; L9-T12 PolarHBondContact O-OG1 3.36Å; L9-A13 WeakPolarHBondContact O-CB 3.4Å; L9-A13 PolarHBondContact O-N 3.39Å
10W83.2Confident80.2Confident183 Ų183112.7 Ų112.769%0.69354%0.537SS*.Hα-helixtrans-68.2-45.3178.8-133.277.4000112.2I6 P7 I8 A13 Y14I6-W10 WeakPolarHBondContact O-CB 3.43Å; I6-W10 PolarHBondContact O-N 2.89Å; P7-W10 PolarHBondContact O-N 3.21Å; I8-W10 VanDerWaalsContact C-N 3.26Å; I8-W10 PolarHBondContact O-N 2.75Å; W10-A13 PolarHBondContact O-N 2.87Å; W10-Y14 VanDerWaalsContact O-CB 3.31Å; W10-Y14 WeakPolarHBondContact O-CB 3.31Å; W10-Y14 PolarHBondContact O-N 3.47Å
11V84.9Confident79.9Confident89 Ų89109.6 Ų109.654%0.53953%0.531SS..Hα-helixtrans-65.4-45177.5171.90000110.8P7 I8 A13 Y14 V15P7-V11 WeakPolarHBondContact O-CG2 3.3Å; P7-V11 PolarHBondContact O-N 2.87Å; I8-V11 PolarHBondContact O-N 3.39Å; V11-A13 PolarHBondContact O-N 2.93Å; V11-Y14 PolarHBondContact O-N 2.85Å; V11-V15 HydrophobicContact CG1-CG2 4.26Å; V11-V15 WeakPolarHBondContact O-CB 3.49Å; V11-V15 VanDerWaalsContact O-CG2 3.29Å; V11-V15 WeakPolarHBondContact O-CG2 3.46Å; V11-V15 PolarHBondContact O-N 3.26Å
12T86.4Confident80.4Confident77 Ų77107.6 Ų107.647%0.47252%0.517SS..Hα-helixtrans-63.1-42.617848.80000111.7I8 L9 Y16I8-T12 HydrophobicContact CG2-CG2 4.35Å; I8-T12 WeakPolarHBondContact O-CB 3.34Å; I8-T12 VanDerWaalsContact O-CG2 3.31Å; I8-T12 WeakPolarHBondContact O-CG2 3.45Å; I8-T12 PolarHBondContact O-N 2.97Å; I8-T12 PolarHBondContact O-OG1 2.96Å; L9-T12 VanDerWaalsContact CA-OG1 3.29Å; L9-T12 WeakPolarHBondContact CA-OG1 3.31Å; L9-T12 PolarHBondContact O-OG1 3.36Å; T12-Y16 VanDerWaalsContact O-CB 3.31Å; T12-Y16 WeakPolarHBondContact O-CB 3.31Å; T12-Y16 PolarHBondContact O-N 3.49Å
13A84.5Confident80.7Confident41 Ų41106.3 Ų106.334%0.33952%0.518SS..Hα-helixtrans-62.3-45173.300000111.9L9 W10 V11 Y16 F17L9-A13 WeakPolarHBondContact O-CB 3.4Å; L9-A13 PolarHBondContact O-N 3.39Å; W10-A13 PolarHBondContact O-N 2.87Å; V11-A13 PolarHBondContact O-N 2.93Å; A13-Y16 PolarHBondContact O-N 2.95Å; A13-F17 HydrophobicContact CB-CE2 4.4Å; A13-F17 WeakPolarHBondContact O-CD2 3.02Å; A13-F17 WeakPolarHBondContact O-CG 3.29Å; A13-F17 PolarHBondContact O-N 3.46Å
14Y83.4Confident80.9Confident143 Ų14398.5 Ų98.556%0.56148%0.484SS*.Hα-helixtrans-60.2-49.3177.6177.5-96000111.8W10 V11 Y16 F17 Y18W10-Y14 VanDerWaalsContact O-CB 3.31Å; W10-Y14 WeakPolarHBondContact O-CB 3.31Å; W10-Y14 PolarHBondContact O-N 3.47Å; V11-Y14 PolarHBondContact O-N 2.85Å; Y14-Y16 PolarHBondContact O-N 3.29Å; Y14-F17 PolarHBondContact O-N 3.38Å; Y14-Y18 VanDerWaalsContact O-CB 3.29Å; Y14-Y18 WeakPolarHBondContact O-CB 3.42Å; Y14-Y18 PolarHBondContact O-N 2.84Å
15V85.1Confident80.9Confident67 Ų6793.1 Ų93.141%0.40647%0.47SS..Hα-helixtrans-61.3-44.7177.9171.80000110.7V11 F17 Y18 I19V11-V15 HydrophobicContact CG1-CG2 4.26Å; V11-V15 WeakPolarHBondContact O-CB 3.49Å; V11-V15 VanDerWaalsContact O-CG2 3.29Å; V11-V15 WeakPolarHBondContact O-CG2 3.46Å; V11-V15 PolarHBondContact O-N 3.26Å; V15-F17 PolarHBondContact O-N 3.47Å; V15-Y18 PolarHBondContact O-N 3.48Å; V15-I19 HydrophobicContact CG1-CD1 3.71Å; V15-I19 HydrophobicContact CG1-CG1 4.35Å; V15-I19 WeakPolarHBondContact O-CG1 3.26Å; V15-I19 PolarHBondContact O-N 3.46Å
16Y86.5Confident80.7Confident119 Ų11994.7 Ų94.747%0.46749%0.486SS..Hα-helixtrans-56.7-50175.6169.9-100.2000111.6T12 A13 Y14 Y18 K20T12-Y16 VanDerWaalsContact O-CB 3.31Å; T12-Y16 WeakPolarHBondContact O-CB 3.31Å; T12-Y16 PolarHBondContact O-N 3.49Å; A13-Y16 PolarHBondContact O-N 2.95Å; Y14-Y16 PolarHBondContact O-N 3.29Å; Y16-Y18 VanDerWaalsContact C-N 3.35Å; Y16-Y18 PolarHBondContact O-N 3.3Å; Y16-K20 HydrophobicContact CE2-CD 4.32Å; Y16-K20 VanDerWaalsContact O-CB 3.28Å; Y16-K20 WeakPolarHBondContact O-CB 3.29Å; Y16-K20 PolarHBondContact O-N 2.93Å; Y16-K20 PolarHBondContact OH-NZ 3.27Å; Y16-K20 VanDerWaalsContact OH-NZ 3.12Å
17F81.7Confident80.7Confident46 Ų4692.5 Ų92.520%0.20249%0.485CS..Hα-helixtrans-69.3-32.2-179.5-71.2-54.9000113.1A13 Y14 V15 A21 I148A13-F17 HydrophobicContact CB-CE2 4.4Å; A13-F17 WeakPolarHBondContact O-CD2 3.02Å; A13-F17 WeakPolarHBondContact O-CG 3.29Å; A13-F17 PolarHBondContact O-N 3.46Å; Y14-F17 PolarHBondContact O-N 3.38Å; V15-F17 PolarHBondContact O-N 3.47Å; F17-A21 WeakPolarHBondContact O-CB 3.33Å; F17-A21 PolarHBondContact O-N 3.19Å; F17-I148 HydrophobicContact CD1-CG2 4.34Å; F17-I148 HydrophobicContact CD2-CG2 3.68Å; F17-I148 HydrophobicContact CE1-CG2 4.27Å; F17-I148 HydrophobicContact CE2-CG2 3.65Å; F17-I148 HydrophobicContact CG-CG2 4.04Å; F17-I148 HydrophobicContact CZ-CG2 3.95Å
18Y80.7Confident81Confident133 Ų13392.2 Ų92.252%0.52248%0.479SS..Hα-helixtrans-65.2-50.8174.7-178.5-92.1000111.6Y14 V15 Y16 K20 A21 K22Y14-Y18 VanDerWaalsContact O-CB 3.29Å; Y14-Y18 WeakPolarHBondContact O-CB 3.42Å; Y14-Y18 PolarHBondContact O-N 2.84Å; V15-Y18 PolarHBondContact O-N 3.48Å; Y16-Y18 VanDerWaalsContact C-N 3.35Å; Y16-Y18 PolarHBondContact O-N 3.3Å; Y18-K20 VanDerWaalsContact C-N 3.33Å; Y18-K20 PolarHBondContact O-N 3.15Å; Y18-A21 PolarHBondContact O-N 3.4Å; Y18-K22 PolarHBondContact O-N 2.95Å; Y18-K22 VanDerWaalsContact O-N 3.15Å
19I81.4Confident81.3Confident97 Ų9789.2 Ų89.250%0.49747%0.465SS..Hα-helixtrans-60.6-46.3176.9-66.1170000109.7V15 A21 K22 C23V15-I19 HydrophobicContact CG1-CD1 3.71Å; V15-I19 HydrophobicContact CG1-CG1 4.35Å; V15-I19 WeakPolarHBondContact O-CG1 3.26Å; V15-I19 PolarHBondContact O-N 3.46Å; I19-A21 VanDerWaalsContact C-N 3.33Å; I19-A21 PolarHBondContact O-N 3.36Å; I19-K22 WeakPolarHBondContact O-CB 3.28Å; I19-K22 PolarHBondContact O-N 3.03Å; I19-K22 VanDerWaalsContact O-N 3.09Å; I19-C23 PolarHBondContact O-N 3.09Å; I19-C23 PolarHBondContact O-SG 3.35Å; I19-C23 VanDerWaalsContact O-SG 3.35Å
20K78.6Confident81.7Confident75 Ų7586.6 Ų86.633%0.32645%0.448SS..Hα-helixtrans-57.2-45.1178.3-164.5108.3175.1-175.60111.8Y16 Y18 K22 C23 D24Y16-K20 HydrophobicContact CE2-CD 4.32Å; Y16-K20 VanDerWaalsContact O-CB 3.28Å; Y16-K20 WeakPolarHBondContact O-CB 3.29Å; Y16-K20 PolarHBondContact O-N 2.93Å; Y16-K20 PolarHBondContact OH-NZ 3.27Å; Y16-K20 VanDerWaalsContact OH-NZ 3.12Å; Y18-K20 VanDerWaalsContact C-N 3.33Å; Y18-K20 PolarHBondContact O-N 3.15Å; K20-K22 VanDerWaalsContact C-N 3.28Å; K20-K22 PolarHBondContact O-N 3.12Å; K20-C23 PolarHBondContact O-N 3.21Å; K20-C23 VanDerWaalsContact O-N 3.12Å; K20-D24 PolarHBondContact O-N 2.97Å
21A74.6Confident82.3Confident49 Ų4977.9 Ų77.941%0.40542%0.415SS..Hα-helixtrans-62.2-34.4177.900000112.8F17 Y18 I19 D24F17-A21 WeakPolarHBondContact O-CB 3.33Å; F17-A21 PolarHBondContact O-N 3.19Å; Y18-A21 PolarHBondContact O-N 3.4Å; I19-A21 VanDerWaalsContact C-N 3.33Å; I19-A21 PolarHBondContact O-N 3.36Å; A21-D24 PolarHBondContact O-N 3.29Å
22K73.4Confident82.9Confident161 Ų16173.7 Ų73.770%0.739%0.389SS*.Hα-helixtrans-71-29.5174.1-93.1-87.1-175.4172.40113.3Y18 I19 K20 D24Y18-K22 PolarHBondContact O-N 2.95Å; Y18-K22 VanDerWaalsContact O-N 3.15Å; I19-K22 WeakPolarHBondContact O-CB 3.28Å; I19-K22 PolarHBondContact O-N 3.03Å; I19-K22 VanDerWaalsContact O-N 3.09Å; K20-K22 VanDerWaalsContact C-N 3.28Å; K20-K22 PolarHBondContact O-N 3.12Å; K22-D24 VanDerWaalsContact C-N 3.29Å
23C72.8Confident83.4Confident98 Ų9870 Ų7066%0.66237%0.367SS*.THydrogen-bonded Turntrans-79.4-8.6176.4-65.30000113.7I19 K20 D25I19-C23 PolarHBondContact O-N 3.09Å; I19-C23 PolarHBondContact O-SG 3.35Å; I19-C23 VanDerWaalsContact O-SG 3.35Å; K20-C23 PolarHBondContact O-N 3.21Å; K20-C23 VanDerWaalsContact O-N 3.12Å; C23-D25 PolarHBondContact O-N 2.91Å
24D72.3Confident84Confident19 Ų1968 Ų6810%0.10235%0.351CS..SBendtrans-70.1122.2179-71.9-2.4000110.5K20 A21 K22 P26 R30K20-D24 PolarHBondContact O-N 2.97Å; A21-D24 PolarHBondContact O-N 3.29Å; K22-D24 VanDerWaalsContact C-N 3.29Å; D24-P26 WeakPolarHBondContact O-CD 3.41Å; D24-P26 VanDerWaalsContact O-N 3.16Å; D24-R30 VanDerWaalsContact CG-NH2 3.28Å; D24-R30 IonicContact OD1-CZ 3.12Å; D24-R30 IonicContact OD1-NH1 2.82Å; D24-R30 PolarHBondContact OD1-NH1 3.15Å; D24-R30 IonicContact OD1-NH2 2.61Å; D24-R30 PolarHBondContact OD1-NH2 3.42Å; D24-R30 IonicContact OD2-CZ 3.68Å; D24-R30 IonicContact OD2-NH1 2.77Å; D24-R30 PolarHBondContact OD2-NH1 3.24Å; D24-R30 IonicContact OD2-NH2 3.85Å
25D73.3Confident84.6Confident84 Ų8461.2 Ų61.245%0.44932%0.324SS..  trans-55.9120175-174.3-11.9000109.9C23 A27 M28 K123C23-D25 PolarHBondContact O-N 2.91Å; D25-A27 PolarHBondContact O-N 2.9Å; D25-A27 VanDerWaalsContact OD1-CB 3.3Å; D25-A27 WeakPolarHBondContact OD1-CB 3.47Å; D25-A27 PolarHBondContact OD1-N 2.94Å; D25-M28 HydrophobicContact CB-CB 4.29Å; D25-M28 PolarHBondContact O-N 3.36Å; D25-K123 PolarHBondContact O-NZ 3.27Å
26P75.6Confident84.7Confident121 Ų12158.1 Ų58.179%0.78631%0.305SS*.THydrogen-bonded Turntrans-69.2-22.7178.227.2-33.2000112.6D24 M28D24-P26 WeakPolarHBondContact O-CD 3.41Å; D24-P26 VanDerWaalsContact O-N 3.16Å; P26-M28 VanDerWaalsContact C-N 3.31Å
27A81.5Confident84.7Confident67 Ų6754.9 Ų54.955%0.55430%0.3SS*.THydrogen-bonded Turntrans-76.1-21.3179.200000112.9D25D25-A27 PolarHBondContact O-N 2.9Å; D25-A27 VanDerWaalsContact OD1-CB 3.3Å; D25-A27 WeakPolarHBondContact OD1-CB 3.47Å; D25-A27 PolarHBondContact OD1-N 2.94Å
28M88.8Confident85Confident57 Ų5754.7 Ų54.728%0.28131%0.311SS..  trans-115.2138.7-174.3-64-62.6-141.500112.9D25 P26 Q56 K123D25-M28 HydrophobicContact CB-CB 4.29Å; D25-M28 PolarHBondContact O-N 3.36Å; P26-M28 VanDerWaalsContact C-N 3.31Å; M28-Q56 HydrophobicContact CE-CG 3.57Å; M28-Q56 HydrophobicContact SD-CG 3.91Å; M28-K123 PolarHBondContact O-NZ 2.85Å; M28-K123 VanDerWaalsContact O-NZ 3.08Å
29T92.6Very high85.5Confident39 Ų3951 Ų5124%0.23931%0.313CS..  trans-110.1111.6178.5-60.40000109.7V31 K54 Y55 Q56 K123 L124T29-V31 HydrophobicContact CG2-CG2 4.2Å; T29-V31 WeakPolarHBondContact O-CG2 3.31Å; T29-V31 PolarHBondContact O-N 3.44Å; T29-K54 PolarHBondContact N-O 3.4Å; T29-Y55 HydrophobicContact CG2-CD1 4.08Å; T29-Y55 HydrophobicContact CG2-CE1 4.35Å; T29-Y55 CarbonylContact O-C 3.58Å; T29-Y55 WeakPolarHBondContact O-CA 3.33Å; T29-Q56 CarbonylContact C-O 3.52Å; T29-Q56 PolarHBondContact O-N 3.1Å; T29-K123 HydrophobicContact CG2-CB 3.85Å; T29-L124 HydrophobicContact CG2-CB 4.15Å
30R94.5Very high86.1Confident54 Ų5448.8 Ų48.820%0.20430%0.301CS..  trans-66.8121.5171.3-54.8-161.7-172.1100.36.4109.6D24 P57 F120 K123 L124D24-R30 VanDerWaalsContact CG-NH2 3.28Å; D24-R30 IonicContact OD1-CZ 3.12Å; D24-R30 IonicContact OD1-NH1 2.82Å; D24-R30 PolarHBondContact OD1-NH1 3.15Å; D24-R30 IonicContact OD1-NH2 2.61Å; D24-R30 PolarHBondContact OD1-NH2 3.42Å; D24-R30 IonicContact OD2-CZ 3.68Å; D24-R30 IonicContact OD2-NH1 2.77Å; D24-R30 PolarHBondContact OD2-NH1 3.24Å; D24-R30 IonicContact OD2-NH2 3.85Å; R30-P57 HydrophobicContact CG-CG 4.28Å; R30-F120 HydrophobicContact CB-CE1 4.08Å; R30-F120 HydrophobicContact CB-CZ 4.12Å; R30-F120 WeakPolarHBondContact CD-O 3.17Å; R30-K123 PolarHBondContact O-N 3.23Å; R30-L124 PolarHBondContact O-N 3.39Å
31V96.4Very high86.8Confident0 Ų045.3 Ų45.30%029%0.286CS..EExtended strand (participates in β ladder)trans-115131.1-178.2-170.80000109.9T29 I33 Y55 P57 R58 L59 F120 L124T29-V31 HydrophobicContact CG2-CG2 4.2Å; T29-V31 WeakPolarHBondContact O-CG2 3.31Å; T29-V31 PolarHBondContact O-N 3.44Å; V31-I33 HydrophobicContact CG1-CD1 4.23Å; V31-I33 HydrophobicContact CG1-CG1 3.71Å; V31-Y55 HydrophobicContact CG2-CD1 3.67Å; V31-Y55 HydrophobicContact CG2-CG 4.15Å; V31-P57 PolarHBondContact N-O 3.46Å; V31-P57 VanDerWaalsContact N-O 3.09Å; V31-R58 CarbonylContact O-C 3.44Å; V31-R58 WeakPolarHBondContact O-CA 3.36Å; V31-L59 PolarHBondContact O-N 2.96Å; V31-F120 WeakPolarHBondContact O-CE1 3.46Å; V31-L124 CarbonylContact C-O 3.58Å; V31-L124 WeakPolarHBondContact CA-O 3.27Å; V31-L124 HydrophobicContact CG1-CB 4.36Å; V31-L124 HydrophobicContact CG1-CD2 4.07Å; V31-L124 HydrophobicContact CG1-CG 4.11Å; V31-L124 HydrophobicContact CG2-CB 4.28Å; V31-L124 HydrophobicContact CG2-CD2 4.17Å
32M97.6Very high87.8Confident0 Ų045.5 Ų45.50%029%0.287CS..EExtended strand (participates in β ladder)trans-106.1127167.9174.3-179.3-72.500108.8L59 V61 I116 V117 F120 A122 L124 I125 L126 I136M32-L59 CarbonylContact C-O 3.57Å; M32-L59 VanDerWaalsContact CA-O 3.3Å; M32-L59 WeakPolarHBondContact CA-O 3.44Å; M32-L59 HydrophobicContact CE-CD2 3.58Å; M32-L59 HydrophobicContact CE-CG 4.4Å; M32-V61 HydrophobicContact CE-CG2 4.35Å; M32-V61 HydrophobicContact CG-CG2 3.88Å; M32-V61 HydrophobicContact SD-CG2 4.07Å; M32-I116 HydrophobicContact CE-CG2 3.92Å; M32-V117 HydrophobicContact CE-CG2 4.14Å; M32-V117 HydrophobicContact SD-CG2 4.16Å; M32-F120 HydrophobicContact CB-CD1 4.3Å; M32-F120 HydrophobicContact CB-CE1 4.12Å; M32-F120 HydrophobicContact CE-CB 4.3Å; M32-F120 HydrophobicContact CE-CD1 3.96Å; M32-F120 HydrophobicContact CE-CG 4.46Å; M32-A122 HydrophobicContact CB-CB 3.62Å; M32-L124 PolarHBondContact N-O 3.29Å; M32-I125 HydrophobicContact CB-CG1 3.96Å; M32-I125 HydrophobicContact CG-CG1 4.3Å; M32-I125 CarbonylContact O-C 3.52Å; M32-I125 VanDerWaalsContact O-CA 3.28Å; M32-I125 WeakPolarHBondContact O-CA 3.35Å; M32-I125 HydrophobicContact SD-CD1 4.28Å; M32-I125 HydrophobicContact SD-CG1 4.1Å; M32-L126 PolarHBondContact O-N 3.32Å; M32-I136 HydrophobicContact SD-CD1 4.38Å; M32-I136 HydrophobicContact SD-CG2 3.41Å; M32-I136 WeakPolarHBondContact SD-CG2 3.28Å
33I97.3Very high88.8Confident0 Ų038.4 Ų38.40%026%0.257CS..EExtended strand (participates in β ladder)trans-119.4111.2-172.4-56.2173.4000106.7V31 L35 M44 T48 L51 R58 L59 Y60 V61 L126V31-I33 HydrophobicContact CG1-CD1 4.23Å; V31-I33 HydrophobicContact CG1-CG1 3.71Å; I33-L35 HydrophobicContact CG2-CD2 3.93Å; I33-M44 HydrophobicContact CG2-CE 3.49Å; I33-M44 VanDerWaalsContact CG2-CE 3.49Å; I33-T48 HydrophobicContact CD1-CG2 3.54Å; I33-L51 HydrophobicContact CD1-CD1 4.47Å; I33-R58 HydrophobicContact CD1-CB 4.48Å; I33-L59 PolarHBondContact N-O 3.24Å; I33-Y60 HydrophobicContact CB-CD1 3.86Å; I33-Y60 HydrophobicContact CB-CE1 4.05Å; I33-Y60 HydrophobicContact CD1-CD1 4.41Å; I33-Y60 HydrophobicContact CD1-CE1 3.82Å; I33-Y60 HydrophobicContact CG2-CD1 3.94Å; I33-Y60 HydrophobicContact CG2-CE1 3.93Å; I33-Y60 CarbonylContact O-C 3.31Å; I33-Y60 WeakPolarHBondContact O-CA 3.4Å; I33-V61 PolarHBondContact O-N 2.96Å; I33-L126 WeakPolarHBondContact CA-O 3.36Å
34V96.6Very high89.9Confident0 Ų033.8 Ų33.80%023%0.225CC..EExtended strand (participates in β ladder)trans-92.5123.2179.8-169.30000109.2V61 I125 L126 C127 T132 C133 I136V34-V61 HydrophobicContact CG1-CB 4.5Å; V34-V61 HydrophobicContact CG2-CB 4.41Å; V34-I125 HydrophobicContact CG2-CG2 4.38Å; V34-L126 PolarHBondContact N-O 3.38Å; V34-C127 HydrophobicContact CB-CB 3.81Å; V34-C127 HydrophobicContact CG2-CB 4.08Å; V34-T132 HydrophobicContact CG1-CG2 4.36Å; V34-C133 HydrophobicContact CB-CB 4.46Å; V34-C133 HydrophobicContact CG1-CB 4.17Å; V34-I136 HydrophobicContact CG2-CB 4.08Å; V34-I136 HydrophobicContact CG2-CG1 4.19Å; V34-I136 HydrophobicContact CG2-CG2 3.78Å
35L94.6Very high91Very high0 Ų033.7 Ų33.70%023%0.225CC..  trans-104.3142.4-179.7-57.8-178.9000111I33 T41 M44 L45 Y60 V61 I62 V73I33-L35 HydrophobicContact CG2-CD2 3.93Å; L35-T41 HydrophobicContact CD1-CG2 4.26Å; L35-M44 HydrophobicContact CD2-CB 3.39Å; L35-M44 HydrophobicContact CD2-CG 4.12Å; L35-L45 HydrophobicContact CD1-CD2 4.43Å; L35-L45 HydrophobicContact CD2-CD2 4.44Å; L35-Y60 HydrophobicContact CD1-CD1 3.79Å; L35-Y60 HydrophobicContact CD1-CE1 4.49Å; L35-Y60 HydrophobicContact CD2-CD1 4.46Å; L35-Y60 HydrophobicContact CG-CD1 4.17Å; L35-V61 PolarHBondContact N-O 3.09Å; L35-I62 HydrophobicContact CB-CG2 3.98Å; L35-I62 HydrophobicContact CD1-CG2 3.83Å; L35-I62 HydrophobicContact CG-CG2 4.3Å; L35-V73 HydrophobicContact CD1-CG2 3.21Å
36G88.3Confident92Very high2 Ų231.7 Ų31.72%0.02122%0.217CC..  trans-97.7-178.5162.900000111.1T41 S69 P130G36-T41 PolarHBondContact O-OG1 3.12Å; G36-S69 PolarHBondContact O-OG 3.37Å; G36-S69 VanDerWaalsContact O-OG 3.06Å; G36-P130 VanDerWaalsContact CA-CG 3.47Å
37S87.1Confident92.9Very high50 Ų5027 Ų2735%0.3518%0.184SC..SBendtrans-87.9148.8172.159.70000112.1D66S37-D66 WeakPolarHBondContact CA-OD2 3.32Å; S37-D66 VanDerWaalsContact CB-OD2 3.25Å; S37-D66 WeakPolarHBondContact CB-OD2 3.2Å; S37-D66 PolarHBondContact N-OD2 3.5Å
38G88.1Confident93.5Very high43 Ų4323.9 Ų23.944%0.44316%0.158SC..THydrogen-bonded Turntrans74.3-126.5170.200000113.3H40 T41 A42G38-H40 VanDerWaalsContact C-N 3.27Å; G38-H40 PolarHBondContact O-N 3.46Å; G38-T41 PolarHBondContact N-OG1 3.07Å; G38-T41 WeakPolarHBondContact O-CB 3.37Å; G38-T41 PolarHBondContact O-N 3.35Å; G38-T41 VanDerWaalsContact O-N 3.16Å; G38-T41 PolarHBondContact O-OG1 3.37Å; G38-A42 PolarHBondContact O-N 2.7Å
39G91Very high93.7Very high54 Ų5424.4 Ų24.456%0.55717%0.167SC*.Hα-helixtrans-60.8-35-178.300000113.2T41 A42 E43G39-T41 VanDerWaalsContact C-N 3.29Å; G39-T41 PolarHBondContact O-N 3.14Å; G39-A42 WeakPolarHBondContact O-CB 3.37Å; G39-A42 PolarHBondContact O-N 3.03Å; G39-A42 VanDerWaalsContact O-N 3.08Å; G39-E43 WeakPolarHBondContact O-CG 3.26Å; G39-E43 PolarHBondContact O-N 2.94Å
40H93Very high93.7Very high52 Ų5228 Ų2824%0.24119%0.189CC..Hα-helixtrans-62.8-34.6176.3-73.7-49.3000113.1G38 E43 M44 N128G38-H40 VanDerWaalsContact C-N 3.27Å; G38-H40 PolarHBondContact O-N 3.46Å; H40-E43 IonicContact ND1-OE2 3.24Å; H40-E43 PolarHBondContact ND1-OE2 3.48Å; H40-M44 WeakPolarHBondContact O-CB 3.22Å; H40-M44 WeakPolarHBondContact O-CG 3.48Å; H40-M44 PolarHBondContact O-N 3.08Å; H40-M44 VanDerWaalsContact O-N 3.15Å; H40-N128 VanDerWaalsContact CA-ND2 3.27Å; H40-N128 WeakPolarHBondContact CA-ND2 3.29Å; H40-N128 VanDerWaalsContact CB-ND2 3.32Å; H40-N128 WeakPolarHBondContact CB-ND2 3.37Å; H40-N128 PolarHBondContact ND1-ND2 3.15Å; H40-N128 PolarHBondContact O-ND2 3.21Å
41T94.4Very high93.6Very high1 Ų127.2 Ų27.21%0.00619%0.188CC..Hα-helixtrans-64.1-46.3173-30.80000110.1L35 G36 G38 G39 M44 L45 S69 K72L35-T41 HydrophobicContact CD1-CG2 4.26Å; G36-T41 PolarHBondContact O-OG1 3.12Å; G38-T41 PolarHBondContact N-OG1 3.07Å; G38-T41 WeakPolarHBondContact O-CB 3.37Å; G38-T41 PolarHBondContact O-N 3.35Å; G38-T41 VanDerWaalsContact O-N 3.16Å; G38-T41 PolarHBondContact O-OG1 3.37Å; G39-T41 VanDerWaalsContact C-N 3.29Å; G39-T41 PolarHBondContact O-N 3.14Å; T41-M44 PolarHBondContact O-N 3.19Å; T41-L45 HydrophobicContact CG2-CD1 3.86Å; T41-L45 HydrophobicContact CG2-CG 4.26Å; T41-L45 WeakPolarHBondContact O-CB 3.48Å; T41-L45 VanDerWaalsContact O-CG 3.25Å; T41-L45 WeakPolarHBondContact O-CG 3.3Å; T41-L45 PolarHBondContact O-N 3.25Å; T41-S69 VanDerWaalsContact CG2-OG 3.31Å; T41-S69 WeakPolarHBondContact CG2-OG 3.39Å; T41-S69 PolarHBondContact OG1-OG 3.42Å; T41-K72 HydrophobicContact CG2-CD 4.15Å
42A94.2Very high93.3Very high53 Ų5330.8 Ų30.844%0.43821%0.21SC..Hα-helixtrans-62.4-46-176.900000111.6G38 G39 M44 L45 S46G38-A42 PolarHBondContact O-N 2.7Å; G39-A42 WeakPolarHBondContact O-CB 3.37Å; G39-A42 PolarHBondContact O-N 3.03Å; G39-A42 VanDerWaalsContact O-N 3.08Å; A42-M44 PolarHBondContact O-N 2.98Å; A42-L45 PolarHBondContact O-N 3.44Å; A42-S46 PolarHBondContact O-N 3.45Å
43E95.4Very high92.9Very high13 Ų1334.7 Ų34.76%0.06124%0.237CC..Hα-helixtrans-56.8-49.1173.7-68.1173151.300111.4G39 H40 L45 S46 Y47 N128 S158 I159G39-E43 WeakPolarHBondContact O-CG 3.26Å; G39-E43 PolarHBondContact O-N 2.94Å; H40-E43 IonicContact ND1-OE2 3.24Å; H40-E43 PolarHBondContact ND1-OE2 3.48Å; E43-L45 PolarHBondContact O-N 3.34Å; E43-S46 PolarHBondContact O-N 3.22Å; E43-S46 PolarHBondContact O-OG 3.06Å; E43-Y47 HydrophobicContact CB-CE2 4.43Å; E43-Y47 WeakPolarHBondContact O-CD1 3.35Å; E43-Y47 WeakPolarHBondContact O-CD2 3.44Å; E43-Y47 WeakPolarHBondContact O-CE2 3.36Å; E43-Y47 PolarHBondContact O-N 3.49Å; E43-N128 PolarHBondContact OE2-ND2 3.02Å; E43-N128 VanDerWaalsContact OE2-ND2 3.09Å; E43-S158 WeakPolarHBondContact OE1-CA 3.04Å; E43-S158 WeakPolarHBondContact OE1-CB 3.43Å; E43-S158 PolarHBondContact OE1-OG 3.4Å; E43-S158 PolarHBondContact OE2-OG 2.9Å; E43-I159 WeakPolarHBondContact OE1-CG2 3.15Å; E43-I159 PolarHBondContact OE1-N 2.89Å
44M95.3Very high92.6Very high0 Ų041.1 Ų41.10%027%0.265CS..Hα-helixtrans-66.8-37.6-177.7-75.4-62.6-54.700112.9I33 L35 H40 T41 A42 Y47 T48 L126 N128I33-M44 HydrophobicContact CG2-CE 3.49Å; I33-M44 VanDerWaalsContact CG2-CE 3.49Å; L35-M44 HydrophobicContact CD2-CB 3.39Å; L35-M44 HydrophobicContact CD2-CG 4.12Å; H40-M44 WeakPolarHBondContact O-CB 3.22Å; H40-M44 WeakPolarHBondContact O-CG 3.48Å; H40-M44 PolarHBondContact O-N 3.08Å; H40-M44 VanDerWaalsContact O-N 3.15Å; T41-M44 PolarHBondContact O-N 3.19Å; A42-M44 PolarHBondContact O-N 2.98Å; M44-Y47 PolarHBondContact O-N 2.92Å; M44-Y47 HydrophobicContact SD-CD2 4.19Å; M44-T48 WeakPolarHBondContact O-CB 3.3Å; M44-T48 PolarHBondContact O-N 2.82Å; M44-T48 PolarHBondContact O-OG1 3.08Å; M44-L126 HydrophobicContact CE-CB 4.06Å; M44-L126 HydrophobicContact CE-CD2 3.85Å; M44-L126 HydrophobicContact CE-CG 3.65Å; M44-L126 WeakPolarHBondContact CE-O 3.5Å; M44-L126 HydrophobicContact SD-CG 4.43Å; M44-N128 HydrophobicContact CG-CB 4.21Å; M44-N128 VanDerWaalsContact CG-CG 3.49Å; M44-N128 WeakPolarHBondContact CG-ND2 3.44Å; M44-N128 HydrophobicContact SD-CB 3.9Å
45L94.9Very high92.5Very high18 Ų1845 Ų459%0.09428%0.28CS..Hα-helixtrans-71.8-30177.6-66.5178000112.1L35 T41 A42 E43 Y47 T48 S49 Y60 K72 V73 L76L35-L45 HydrophobicContact CD1-CD2 4.43Å; L35-L45 HydrophobicContact CD2-CD2 4.44Å; T41-L45 HydrophobicContact CG2-CD1 3.86Å; T41-L45 HydrophobicContact CG2-CG 4.26Å; T41-L45 WeakPolarHBondContact O-CB 3.48Å; T41-L45 VanDerWaalsContact O-CG 3.25Å; T41-L45 WeakPolarHBondContact O-CG 3.3Å; T41-L45 PolarHBondContact O-N 3.25Å; A42-L45 PolarHBondContact O-N 3.44Å; E43-L45 PolarHBondContact O-N 3.34Å; L45-Y47 VanDerWaalsContact C-N 3.31Å; L45-Y47 PolarHBondContact O-N 3.34Å; L45-T48 PolarHBondContact O-N 2.77Å; L45-S49 WeakPolarHBondContact O-CB 3.39Å; L45-S49 PolarHBondContact O-N 3.15Å; L45-Y60 HydrophobicContact CD2-CE1 4.14Å; L45-K72 HydrophobicContact CD1-CB 3.48Å; L45-K72 VanDerWaalsContact CD1-CB 3.48Å; L45-K72 HydrophobicContact CD1-CD 4.37Å; L45-V73 HydrophobicContact CD2-CG2 4.01Å; L45-L76 HydrophobicContact CB-CD1 3.94Å; L45-L76 HydrophobicContact CD2-CD1 4.07Å; L45-L76 HydrophobicContact CG-CD1 4.49Å; L45-L76 WeakPolarHBondContact O-CD1 3.45Å
46S94.8Very high92.4Very high41 Ų4146.4 Ų46.429%0.28729%0.286SS..Hα-helixtrans-65.8-35.5172.575.60000111.9A42 E43 S49A42-S46 PolarHBondContact O-N 3.45Å; E43-S46 PolarHBondContact O-N 3.22Å; E43-S46 PolarHBondContact O-OG 3.06Å; S46-S49 PolarHBondContact O-OG 3.06Å
47Y94.3Very high92.7Very high24 Ų2448.4 Ų48.49%0.09430%0.299CS..Hα-helixtrans-71.8-35173.4-50.5-25.7000111.7E43 M44 L45 V50 V156 Q183 L200E43-Y47 HydrophobicContact CB-CE2 4.43Å; E43-Y47 WeakPolarHBondContact O-CD1 3.35Å; E43-Y47 WeakPolarHBondContact O-CD2 3.44Å; E43-Y47 WeakPolarHBondContact O-CE2 3.36Å; E43-Y47 PolarHBondContact O-N 3.49Å; M44-Y47 PolarHBondContact O-N 2.92Å; M44-Y47 HydrophobicContact SD-CD2 4.19Å; L45-Y47 VanDerWaalsContact C-N 3.31Å; L45-Y47 PolarHBondContact O-N 3.34Å; Y47-V50 WeakPolarHBondContact O-CG2 3.21Å; Y47-V156 HydrophobicContact CD2-CG2 4.27Å; Y47-V156 HydrophobicContact CE2-CB 3.84Å; Y47-V156 HydrophobicContact CE2-CG1 3.63Å; Y47-V156 HydrophobicContact CE2-CG2 4Å; Y47-Q183 PolarHBondContact OH-NE2 2.61Å; Y47-L200 HydrophobicContact CD1-CB 4.25Å; Y47-L200 HydrophobicContact CE1-CB 3.4Å; Y47-L200 VanDerWaalsContact CE1-CB 3.4Å; Y47-L200 WeakPolarHBondContact CE1-O 3.3Å
48T94Very high93.1Very high0 Ų046.2 Ų46.20%028%0.283CS..Hα-helixtrans-75.4-32.9-176.7-53.90000112.5I33 M44 L45 V50 L51 Y60 L76I33-T48 HydrophobicContact CD1-CG2 3.54Å; M44-T48 WeakPolarHBondContact O-CB 3.3Å; M44-T48 PolarHBondContact O-N 2.82Å; M44-T48 PolarHBondContact O-OG1 3.08Å; L45-T48 PolarHBondContact O-N 2.77Å; T48-V50 PolarHBondContact O-N 3.39Å; T48-L51 HydrophobicContact CG2-CD1 4.27Å; T48-L51 WeakPolarHBondContact O-CB 3.37Å; T48-L51 PolarHBondContact O-N 2.92Å; T48-L51 VanDerWaalsContact O-N 3.09Å; T48-Y60 HydrophobicContact CG2-CE1 4.19Å; T48-Y60 WeakPolarHBondContact CG2-OH 3.5Å; T48-L76 HydrophobicContact CG2-CD2 4.44Å
49S93Very high93.5Very high69 Ų6944.4 Ų44.448%0.48326%0.263SS..Hα-helixtrans-63.4-26-179.7660000113.3L45 S46L45-S49 WeakPolarHBondContact O-CB 3.39Å; L45-S49 PolarHBondContact O-N 3.15Å; S46-S49 PolarHBondContact O-OG 3.06Å
50V92.5Very high93.8Very high114 Ų11441.8 Ų41.869%0.69124%0.237SC*.THydrogen-bonded Turntrans-93.1-3178-59.60000113.4Y47 T48 T52Y47-V50 WeakPolarHBondContact O-CG2 3.21Å; T48-V50 PolarHBondContact O-N 3.39Å; V50-T52 PolarHBondContact O-N 3.04Å
51L92.5Very high94Very high37 Ų3739.3 Ų39.319%0.19423%0.225CC..  trans-70.2131.6176.2-67.2-179.2000110.5I33 T48 Y55 R58I33-L51 HydrophobicContact CD1-CD1 4.47Å; T48-L51 HydrophobicContact CG2-CD1 4.27Å; T48-L51 WeakPolarHBondContact O-CB 3.37Å; T48-L51 PolarHBondContact O-N 2.92Å; T48-L51 VanDerWaalsContact O-N 3.09Å; L51-Y55 HydrophobicContact CB-CD2 4.2Å; L51-Y55 HydrophobicContact CB-CG 4.48Å; L51-Y55 HydrophobicContact CD2-CD2 3.99Å; L51-Y55 HydrophobicContact CD2-CE2 4.21Å; L51-Y55 HydrophobicContact CD2-CG 4.24Å; L51-R58 PolarHBondContact O-NH2 3.29Å
52T91.2Very high94Very high75 Ų7539.3 Ų39.346%0.4623%0.225SC..  trans-72.5170.5177.467.80000112.3V50 K54 Y55 R58V50-T52 PolarHBondContact O-N 3.04Å; T52-K54 PolarHBondContact O-N 3.43Å; T52-K54 VanDerWaalsContact O-N 3.09Å; T52-K54 PolarHBondContact OG1-N 3.43Å; T52-Y55 PolarHBondContact O-N 2.83Å; T52-Y55 VanDerWaalsContact O-N 3.11Å; T52-R58 PolarHBondContact O-NH2 2.87Å
53C88.8Confident93.9Very high82 Ų8237 Ų3755%0.55421%0.206SC*.THydrogen-bonded Turntrans-63.6-8.9174.262.40000114.2Y55 Q56C53-Y55 PolarHBondContact O-N 3.5Å; C53-Q56 VanDerWaalsContact O-CG 3.26Å; C53-Q56 WeakPolarHBondContact O-CG 3.41Å; C53-Q56 PolarHBondContact O-NE2 3.36Å
54K91.7Very high93.6Very high135 Ų13539.1 Ų39.159%0.58723%0.226SC*.THydrogen-bonded Turntrans-70.5-21.9172.1-64.8-175.9178-179.70112.7T29 T52 Q56T29-K54 PolarHBondContact N-O 3.4Å; T52-K54 PolarHBondContact O-N 3.43Å; T52-K54 VanDerWaalsContact O-N 3.09Å; T52-K54 PolarHBondContact OG1-N 3.43Å; K54-Q56 PolarHBondContact O-N 3.23Å
55Y93.8Very high93.2Very high82 Ų8243.4 Ų43.432%0.32225%0.252SS..SBendtrans-95.266.8-178.8-66-77.2000110.5T29 V31 L51 T52 C53 R58 L124T29-Y55 HydrophobicContact CG2-CD1 4.08Å; T29-Y55 HydrophobicContact CG2-CE1 4.35Å; T29-Y55 CarbonylContact O-C 3.58Å; T29-Y55 WeakPolarHBondContact O-CA 3.33Å; V31-Y55 HydrophobicContact CG2-CD1 3.67Å; V31-Y55 HydrophobicContact CG2-CG 4.15Å; L51-Y55 HydrophobicContact CB-CD2 4.2Å; L51-Y55 HydrophobicContact CB-CG 4.48Å; L51-Y55 HydrophobicContact CD2-CD2 3.99Å; L51-Y55 HydrophobicContact CD2-CE2 4.21Å; L51-Y55 HydrophobicContact CD2-CG 4.24Å; T52-Y55 PolarHBondContact O-N 2.83Å; T52-Y55 VanDerWaalsContact O-N 3.11Å; C53-Y55 PolarHBondContact O-N 3.5Å; Y55-R58 WeakPolarHBondContact O-CG 3.4Å; Y55-R58 PolarHBondContact O-NE 3.12Å; Y55-R58 VanDerWaalsContact O-NE 3.15Å; Y55-L124 HydrophobicContact CD1-CD2 4.33Å; Y55-L124 HydrophobicContact CE1-CD2 4.23Å
56Q92.2Very high92.7Very high29 Ų2942.8 Ų42.814%0.13625%0.249CC..  trans-146.7157.8177.772.2-179.6-44.800112.9M28 T29 C53 K54M28-Q56 HydrophobicContact CE-CG 3.57Å; M28-Q56 HydrophobicContact SD-CG 3.91Å; T29-Q56 CarbonylContact C-O 3.52Å; T29-Q56 PolarHBondContact O-N 3.1Å; C53-Q56 VanDerWaalsContact O-CG 3.26Å; C53-Q56 WeakPolarHBondContact O-CG 3.41Å; C53-Q56 PolarHBondContact O-NE2 3.36Å; K54-Q56 PolarHBondContact O-N 3.23Å
57P94Very high92.3Very high45 Ų4545.2 Ų45.229%0.29227%0.266SS..SBendcis-62.6152.9-8.527.3-38000113.2R30 V31 K83 F120R30-P57 HydrophobicContact CG-CG 4.28Å; V31-P57 PolarHBondContact N-O 3.46Å; V31-P57 VanDerWaalsContact N-O 3.09Å; P57-K83 CarbonylContact C-O 3.58Å; P57-K83 WeakPolarHBondContact CA-O 3.15Å; P57-K83 HydrophobicContact CB-CB 4.16Å; P57-F120 HydrophobicContact CG-CE2 4.15Å; P57-F120 HydrophobicContact CG-CZ 4.39Å
58R95.9Very high92.1Very high4 Ų450.8 Ų50.82%0.01529%0.294CS..EExtended strand (participates in β ladder)trans-98.9130.4174.7-62173.4-176.7179.1-0.3109.6V31 I33 L51 T52 Y55 Y60 E77 K83 F84 S85V31-R58 CarbonylContact O-C 3.44Å; V31-R58 WeakPolarHBondContact O-CA 3.36Å; I33-R58 HydrophobicContact CD1-CB 4.48Å; L51-R58 PolarHBondContact O-NH2 3.29Å; T52-R58 PolarHBondContact O-NH2 2.87Å; Y55-R58 WeakPolarHBondContact O-CG 3.4Å; Y55-R58 PolarHBondContact O-NE 3.12Å; Y55-R58 VanDerWaalsContact O-NE 3.15Å; R58-Y60 HydrophobicContact CB-CE2 4.07Å; R58-E77 WeakPolarHBondContact CD-OE1 3.42Å; R58-E77 IonicContact CZ-OE1 3.75Å; R58-E77 IonicContact NE-OE1 3.83Å; R58-E77 IonicContact NH1-OE1 2.87Å; R58-E77 PolarHBondContact NH1-OE1 3.26Å; R58-E77 IonicContact NH1-OE2 3.3Å; R58-E77 PolarHBondContact NH1-OE2 3.47Å; R58-K83 PolarHBondContact N-O 3.05Å; R58-F84 HydrophobicContact CB-CB 4.15Å; R58-F84 CarbonylContact O-C 3.55Å; R58-F84 WeakPolarHBondContact O-CA 3.27Å; R58-S85 PolarHBondContact O-N 3.1Å
59L97.3Very high92Very high4 Ų450.8 Ų50.82%0.02130%0.295CS..EExtended strand (participates in β ladder)trans-117.1112.9172.7170.558.4000109.5V31 M32 I33 V61 S85 K87 I116 F120V31-L59 PolarHBondContact O-N 2.96Å; M32-L59 CarbonylContact C-O 3.57Å; M32-L59 VanDerWaalsContact CA-O 3.3Å; M32-L59 WeakPolarHBondContact CA-O 3.44Å; M32-L59 HydrophobicContact CE-CD2 3.58Å; M32-L59 HydrophobicContact CE-CG 4.4Å; I33-L59 PolarHBondContact N-O 3.24Å; L59-V61 HydrophobicContact CG-CG2 4.29Å; L59-S85 WeakPolarHBondContact CA-O 3.49Å; L59-S85 WeakPolarHBondContact CD1-OG 3.5Å; L59-K87 HydrophobicContact CD1-CB 4.01Å; L59-K87 HydrophobicContact CD1-CG 3.58Å; L59-I116 HydrophobicContact CD2-CG2 3.84Å; L59-F120 HydrophobicContact CB-CD1 3.99Å; L59-F120 HydrophobicContact CB-CD2 3.9Å; L59-F120 HydrophobicContact CB-CE1 3.61Å; L59-F120 HydrophobicContact CB-CE2 3.51Å; L59-F120 HydrophobicContact CB-CG 4.12Å; L59-F120 HydrophobicContact CB-CZ 3.34Å; L59-F120 HydrophobicContact CD2-CB 3.69Å; L59-F120 HydrophobicContact CD2-CD1 3.71Å; L59-F120 HydrophobicContact CD2-CD2 3.64Å; L59-F120 HydrophobicContact CD2-CE1 4.23Å; L59-F120 HydrophobicContact CD2-CE2 4.17Å; L59-F120 HydrophobicContact CD2-CG 3.38Å; L59-F120 HydrophobicContact CD2-CZ 4.43Å; L59-F120 HydrophobicContact CG-CD1 4.48Å; L59-F120 HydrophobicContact CG-CD2 4.38Å; L59-F120 HydrophobicContact CG-CE2 4.45Å; L59-F120 HydrophobicContact CG-CG 4.4Å
60Y97Very high92.1Very high0 Ų049.5 Ų49.50%028%0.281CS..EExtended strand (participates in β ladder)trans-86.5126.3173.7-66.1-88.5000110.1I33 L35 L45 T48 R58 V73 E77 F84 S85 I86 K87I33-Y60 HydrophobicContact CB-CD1 3.86Å; I33-Y60 HydrophobicContact CB-CE1 4.05Å; I33-Y60 HydrophobicContact CD1-CD1 4.41Å; I33-Y60 HydrophobicContact CD1-CE1 3.82Å; I33-Y60 HydrophobicContact CG2-CD1 3.94Å; I33-Y60 HydrophobicContact CG2-CE1 3.93Å; I33-Y60 CarbonylContact O-C 3.31Å; I33-Y60 WeakPolarHBondContact O-CA 3.4Å; L35-Y60 HydrophobicContact CD1-CD1 3.79Å; L35-Y60 HydrophobicContact CD1-CE1 4.49Å; L35-Y60 HydrophobicContact CD2-CD1 4.46Å; L35-Y60 HydrophobicContact CG-CD1 4.17Å; L45-Y60 HydrophobicContact CD2-CE1 4.14Å; T48-Y60 HydrophobicContact CG2-CE1 4.19Å; T48-Y60 WeakPolarHBondContact CG2-OH 3.5Å; R58-Y60 HydrophobicContact CB-CE2 4.07Å; Y60-V73 HydrophobicContact CD1-CG1 4.03Å; Y60-V73 HydrophobicContact CD1-CG2 3.69Å; Y60-V73 HydrophobicContact CD2-CG1 3.46Å; Y60-V73 VanDerWaalsContact CD2-CG1 3.46Å; Y60-V73 HydrophobicContact CE1-CG1 4.11Å; Y60-V73 HydrophobicContact CE1-CG2 3.98Å; Y60-V73 HydrophobicContact CE2-CG1 3.58Å; Y60-V73 HydrophobicContact CG-CG1 3.67Å; Y60-V73 HydrophobicContact CG-CG2 3.97Å; Y60-E77 HydrophobicContact CE2-CG 3.78Å; Y60-E77 WeakPolarHBondContact CE2-OE1 3.49Å; Y60-E77 PolarHBondContact OH-OE1 3.3Å; Y60-F84 HydrophobicContact CD2-CB 4.48Å; Y60-F84 HydrophobicContact CD2-CD2 4.4Å; Y60-F84 HydrophobicContact CE2-CB 4.15Å; Y60-F84 HydrophobicContact CE2-CD2 4.45Å; Y60-S85 PolarHBondContact N-O 2.84Å; Y60-I86 CarbonylContact O-C 3.53Å; Y60-I86 WeakPolarHBondContact O-CA 3.25Å; Y60-K87 PolarHBondContact O-N 2.91Å
61V96.3Very high92.2Very high0 Ų049 Ų490%027%0.271CS..EExtended strand (participates in β ladder)trans-108.7115.8173.6-177.60000108.3M32 I33 V34 L35 L59 K87 I89 I116 I136M32-V61 HydrophobicContact CE-CG2 4.35Å; M32-V61 HydrophobicContact CG-CG2 3.88Å; M32-V61 HydrophobicContact SD-CG2 4.07Å; I33-V61 PolarHBondContact O-N 2.96Å; V34-V61 HydrophobicContact CG1-CB 4.5Å; V34-V61 HydrophobicContact CG2-CB 4.41Å; L35-V61 PolarHBondContact N-O 3.09Å; L59-V61 HydrophobicContact CG-CG2 4.29Å; V61-K87 WeakPolarHBondContact CA-O 3.46Å; V61-I89 HydrophobicContact CG1-CD1 3.88Å; V61-I89 HydrophobicContact CG1-CG1 3.82Å; V61-I89 HydrophobicContact CG1-CG2 4.23Å; V61-I116 HydrophobicContact CG2-CG2 4.43Å; V61-I136 HydrophobicContact CG1-CD1 3.86Å; V61-I136 HydrophobicContact CG1-CG1 4.06Å; V61-I136 HydrophobicContact CG2-CD1 4.25Å
62I94.9Very high92.3Very high1 Ų151.4 Ų51.41%0.00528%0.28CS..EExtended strand (participates in β ladder)trans-117.3157.3-17856.4169.4000110.5L35 E70 I86 K87 R88 I89L35-I62 HydrophobicContact CB-CG2 3.98Å; L35-I62 HydrophobicContact CD1-CG2 3.83Å; L35-I62 HydrophobicContact CG-CG2 4.3Å; I62-E70 HydrophobicContact CD1-CB 3.72Å; I62-E70 HydrophobicContact CD1-CG 4.1Å; I62-I86 HydrophobicContact CD1-CG2 3.65Å; I62-I86 HydrophobicContact CG1-CG2 3.88Å; I62-K87 WeakPolarHBondContact CG1-O 3.41Å; I62-K87 PolarHBondContact N-O 2.7Å; I62-R88 HydrophobicContact CD1-CG 3.89Å; I62-R88 HydrophobicContact CG1-CG 3.82Å; I62-R88 WeakPolarHBondContact O-CA 3.17Å; I62-I89 PolarHBondContact O-N 3.34Å
63A92.3Very high92.5Very high3 Ų347.8 Ų47.83%0.02526%0.258CS..EExtended strand (participates in β ladder)trans-68.1139.3168.600000110.4T65 D66 I89 R91A63-T65 PolarHBondContact O-N 2.85Å; A63-T65 VanDerWaalsContact O-N 3.08Å; A63-D66 HydrophobicContact CB-CB 4.06Å; A63-D66 PolarHBondContact O-N 3.26Å; A63-I89 CarbonylContact C-O 3.55Å; A63-I89 WeakPolarHBondContact CA-O 3.39Å; A63-R91 HydrophobicContact CB-CG 3.55Å
64A89.4Confident92.7Very high59 Ų5946.3 Ų46.349%0.48824%0.244SC..THydrogen-bonded Turntrans-57.6-27.5-179.200000113.7R88 I89A64-R88 HydrophobicContact CB-CB 4.37Å; A64-I89 PolarHBondContact N-O 3.39Å
65T86Confident92.8Very high89 Ų8943.6 Ų43.655%0.54624%0.236SC..THydrogen-bonded Turntrans-90.87.8179.553.80000114.1A63 R91A63-T65 PolarHBondContact O-N 2.85Å; A63-T65 VanDerWaalsContact O-N 3.08Å; T65-R91 PolarHBondContact OG1-NE 3.03Å
66D85.9Confident92.8Very high6 Ų640.8 Ų40.83%0.03223%0.227CC..  trans-116.774.5-173-169.76.5000112.6S37 A63 M68 S69S37-D66 WeakPolarHBondContact CA-OD2 3.32Å; S37-D66 VanDerWaalsContact CB-OD2 3.25Å; S37-D66 WeakPolarHBondContact CB-OD2 3.2Å; S37-D66 PolarHBondContact N-OD2 3.5Å; A63-D66 HydrophobicContact CB-CB 4.06Å; A63-D66 PolarHBondContact O-N 3.26Å; D66-M68 VanDerWaalsContact C-N 3.32Å; D66-S69 PolarHBondContact OD1-N 3.41Å; D66-S69 PolarHBondContact OD1-OG 3.06Å; D66-S69 VanDerWaalsContact OD2-CB 3.28Å; D66-S69 WeakPolarHBondContact OD2-CB 3.28Å; D66-S69 PolarHBondContact OD2-OG 3.39Å
67S85.4Confident92.9Very high91 Ų9139.5 Ų39.564%0.63622%0.221SC*.Hα-helixtrans-68.7-28.6177.452.60000113.3E70 Q71S67-E70 WeakPolarHBondContact O-CB 3.12Å; S67-E70 PolarHBondContact O-N 3.3Å; S67-Q71 PolarHBondContact O-N 2.89Å
68M89.8Confident92.7Very high141 Ų14143.1 Ų43.170%0.69524%0.237SC*.Hα-helixtrans-65.4-41.2178.2-76.8-170.2-75.700112D66 E70 Q71 K72D66-M68 VanDerWaalsContact C-N 3.32Å; M68-E70 VanDerWaalsContact C-N 3.28Å; M68-E70 PolarHBondContact O-N 3.33Å; M68-Q71 PolarHBondContact O-N 3.48Å; M68-K72 WeakPolarHBondContact O-CG 3.26Å; M68-K72 PolarHBondContact O-N 2.83Å
69S92.7Very high92.3Very high1 Ų151.4 Ų51.41%0.00727%0.273CS..Hα-helixtrans-63.6-36.4176.7-69.30000112.4G36 T41 D66 K72 V73G36-S69 PolarHBondContact O-OG 3.37Å; G36-S69 VanDerWaalsContact O-OG 3.06Å; T41-S69 VanDerWaalsContact CG2-OG 3.31Å; T41-S69 WeakPolarHBondContact CG2-OG 3.39Å; T41-S69 PolarHBondContact OG1-OG 3.42Å; D66-S69 PolarHBondContact OD1-N 3.41Å; D66-S69 PolarHBondContact OD1-OG 3.06Å; D66-S69 VanDerWaalsContact OD2-CB 3.28Å; D66-S69 WeakPolarHBondContact OD2-CB 3.28Å; D66-S69 PolarHBondContact OD2-OG 3.39Å; S69-K72 PolarHBondContact O-N 2.85Å; S69-V73 WeakPolarHBondContact O-CG2 3.47Å; S69-V73 PolarHBondContact O-N 2.71Å; S69-V73 VanDerWaalsContact O-N 3.11Å
70E94.2Very high91.5Very high41 Ų4153.5 Ų53.519%0.19229%0.288CS..Hα-helixtrans-61.1-47.8175.9-171.6169.8171.700112.1I62 S67 M68 K72 V73 L74 I86 R88I62-E70 HydrophobicContact CD1-CB 3.72Å; I62-E70 HydrophobicContact CD1-CG 4.1Å; S67-E70 WeakPolarHBondContact O-CB 3.12Å; S67-E70 PolarHBondContact O-N 3.3Å; M68-E70 VanDerWaalsContact C-N 3.28Å; M68-E70 PolarHBondContact O-N 3.33Å; E70-K72 VanDerWaalsContact C-N 3.3Å; E70-K72 PolarHBondContact O-N 3.18Å; E70-V73 WeakPolarHBondContact O-CB 3.37Å; E70-V73 PolarHBondContact O-N 2.67Å; E70-V73 VanDerWaalsContact O-N 3.13Å; E70-L74 WeakPolarHBondContact O-CG 3.35Å; E70-L74 PolarHBondContact O-N 2.81Å; E70-I86 HydrophobicContact CG-CD1 3.88Å; E70-I86 HydrophobicContact CG-CG2 4.44Å; E70-R88 IonicContact OE1-CZ 3.64Å; E70-R88 IonicContact OE1-NH2 2.66Å; E70-R88 PolarHBondContact OE1-NH2 3.22Å; E70-R88 IonicContact OE2-CZ 3.23Å; E70-R88 VanDerWaalsContact OE2-CZ 3.23Å; E70-R88 IonicContact OE2-NE 3.13Å; E70-R88 PolarHBondContact OE2-NE 3.49Å; E70-R88 VanDerWaalsContact OE2-NE 3.13Å; E70-R88 IonicContact OE2-NH2 2.66Å; E70-R88 PolarHBondContact OE2-NH2 3.26Å
71Q94.1Very high90.8Very high104 Ų10461.8 Ų61.849%0.48633%0.332SS..Hα-helixtrans-59.3-43.4178.5-17159.14700111.4S67 M68 V73 L74 D75S67-Q71 PolarHBondContact O-N 2.89Å; M68-Q71 PolarHBondContact O-N 3.48Å; Q71-V73 VanDerWaalsContact C-N 3.28Å; Q71-V73 PolarHBondContact O-N 2.8Å; Q71-L74 WeakPolarHBondContact O-CB 3.48Å; Q71-L74 PolarHBondContact O-N 3.22Å; Q71-L74 VanDerWaalsContact O-N 3.15Å; Q71-D75 PolarHBondContact NE2-OD1 3.17Å; Q71-D75 PolarHBondContact O-N 3.43Å
72K94.9Very high90.3Very high87 Ų8762.7 Ų62.738%0.37834%0.338SS..Hα-helixtrans-62.8-33.1178-67.7-179.9178.5-175.80113.4T41 L45 M68 S69 E70 L76T41-K72 HydrophobicContact CG2-CD 4.15Å; L45-K72 HydrophobicContact CD1-CB 3.48Å; L45-K72 VanDerWaalsContact CD1-CB 3.48Å; L45-K72 HydrophobicContact CD1-CD 4.37Å; M68-K72 WeakPolarHBondContact O-CG 3.26Å; M68-K72 PolarHBondContact O-N 2.83Å; S69-K72 PolarHBondContact O-N 2.85Å; E70-K72 VanDerWaalsContact C-N 3.3Å; E70-K72 PolarHBondContact O-N 3.18Å; K72-L76 PolarHBondContact O-N 3.33Å; K72-L76 VanDerWaalsContact O-N 3.16Å
73V95.2Very high90.2Very high0 Ų070.2 Ų70.20%037%0.37CS..Hα-helixtrans-66.5-47.3173.6170.50000110.4L35 L45 Y60 S69 E70 Q71 D75 L76 E77 F84 I86L35-V73 HydrophobicContact CD1-CG2 3.21Å; L45-V73 HydrophobicContact CD2-CG2 4.01Å; Y60-V73 HydrophobicContact CD1-CG1 4.03Å; Y60-V73 HydrophobicContact CD1-CG2 3.69Å; Y60-V73 HydrophobicContact CD2-CG1 3.46Å; Y60-V73 VanDerWaalsContact CD2-CG1 3.46Å; Y60-V73 HydrophobicContact CE1-CG1 4.11Å; Y60-V73 HydrophobicContact CE1-CG2 3.98Å; Y60-V73 HydrophobicContact CE2-CG1 3.58Å; Y60-V73 HydrophobicContact CG-CG1 3.67Å; Y60-V73 HydrophobicContact CG-CG2 3.97Å; S69-V73 WeakPolarHBondContact O-CG2 3.47Å; S69-V73 PolarHBondContact O-N 2.71Å; S69-V73 VanDerWaalsContact O-N 3.11Å; E70-V73 WeakPolarHBondContact O-CB 3.37Å; E70-V73 PolarHBondContact O-N 2.67Å; E70-V73 VanDerWaalsContact O-N 3.13Å; Q71-V73 VanDerWaalsContact C-N 3.28Å; Q71-V73 PolarHBondContact O-N 2.8Å; V73-D75 VanDerWaalsContact C-N 3.3Å; V73-D75 PolarHBondContact O-N 2.92Å; V73-L76 PolarHBondContact O-N 3.18Å; V73-E77 HydrophobicContact CG1-CG 4.29Å; V73-E77 PolarHBondContact O-N 2.9Å; V73-F84 HydrophobicContact CG1-CD2 4.38Å; V73-F84 HydrophobicContact CG1-CE2 4.45Å; V73-I86 HydrophobicContact CB-CD1 4.18Å; V73-I86 HydrophobicContact CG1-CD1 3.77Å; V73-I86 HydrophobicContact CG1-CG1 4.21Å
74L94.5Very high90.4Very high51 Ų5173.2 Ų73.227%0.26738%0.383SS..Hα-helixtrans-59.3-44177.8-64.7172.8000110.7E70 Q71 L76 E77 N78 F84 I86E70-L74 WeakPolarHBondContact O-CG 3.35Å; E70-L74 PolarHBondContact O-N 2.81Å; Q71-L74 WeakPolarHBondContact O-CB 3.48Å; Q71-L74 PolarHBondContact O-N 3.22Å; Q71-L74 VanDerWaalsContact O-N 3.15Å; L74-L76 VanDerWaalsContact C-N 3.27Å; L74-L76 PolarHBondContact O-N 3.2Å; L74-E77 PolarHBondContact O-N 3.28Å; L74-N78 WeakPolarHBondContact O-CB 3.38Å; L74-N78 PolarHBondContact O-N 2.9Å; L74-N78 PolarHBondContact O-ND2 3.39Å; L74-N78 VanDerWaalsContact O-ND2 3.09Å; L74-F84 HydrophobicContact CD2-CE2 3.88Å; L74-F84 HydrophobicContact CD2-CZ 3.92Å; L74-I86 HydrophobicContact CD2-CD1 4.09Å; L74-I86 HydrophobicContact CG-CD1 4.34Å
75D93.8Very high90.7Very high77 Ų7772.6 Ų72.641%0.41238%0.376SS..Hα-helixtrans-64.8-30.2179.3-61.1-19.1000113.1Q71 V73 K79Q71-D75 PolarHBondContact NE2-OD1 3.17Å; Q71-D75 PolarHBondContact O-N 3.43Å; V73-D75 VanDerWaalsContact C-N 3.3Å; V73-D75 PolarHBondContact O-N 2.92Å; D75-K79 WeakPolarHBondContact O-CD 3.32Å; D75-K79 WeakPolarHBondContact O-CE 3.46Å; D75-K79 WeakPolarHBondContact O-CG 3.49Å
76L93.6Very high91.2Very high24 Ų2469.9 Ų69.913%0.12636%0.357CS..Hα-helixtrans-77.7-52.6175.4-177.8149.6000110.9L45 T48 K72 V73 L74 K79L45-L76 HydrophobicContact CB-CD1 3.94Å; L45-L76 HydrophobicContact CD2-CD1 4.07Å; L45-L76 HydrophobicContact CG-CD1 4.49Å; L45-L76 WeakPolarHBondContact O-CD1 3.45Å; T48-L76 HydrophobicContact CG2-CD2 4.44Å; K72-L76 PolarHBondContact O-N 3.33Å; K72-L76 VanDerWaalsContact O-N 3.16Å; V73-L76 PolarHBondContact O-N 3.18Å; L74-L76 VanDerWaalsContact C-N 3.27Å; L74-L76 PolarHBondContact O-N 3.2Å; L76-K79 WeakPolarHBondContact O-CB 3.49Å; L76-K79 PolarHBondContact O-N 2.98Å
77E93.8Very high91.7Very high2 Ų274.9 Ų74.91%0.00938%0.379CS..Hα-helixtrans-75.6-27.2-173.2-68.4-67.5-17900112.7R58 Y60 V73 L74 K79 C80 T82 F84R58-E77 WeakPolarHBondContact CD-OE1 3.42Å; R58-E77 IonicContact CZ-OE1 3.75Å; R58-E77 IonicContact NE-OE1 3.83Å; R58-E77 IonicContact NH1-OE1 2.87Å; R58-E77 PolarHBondContact NH1-OE1 3.26Å; R58-E77 IonicContact NH1-OE2 3.3Å; R58-E77 PolarHBondContact NH1-OE2 3.47Å; Y60-E77 HydrophobicContact CE2-CG 3.78Å; Y60-E77 WeakPolarHBondContact CE2-OE1 3.49Å; Y60-E77 PolarHBondContact OH-OE1 3.3Å; V73-E77 HydrophobicContact CG1-CG 4.29Å; V73-E77 PolarHBondContact O-N 2.9Å; L74-E77 PolarHBondContact O-N 3.28Å; E77-K79 PolarHBondContact O-N 3.5Å; E77-C80 CarbonylContact O-C 3.51Å; E77-C80 PolarHBondContact O-N 3.2Å; E77-T82 PolarHBondContact OE2-OG1 3.44Å; E77-F84 HydrophobicContact CB-CD1 3.51Å; E77-F84 HydrophobicContact CB-CD2 4.17Å; E77-F84 HydrophobicContact CB-CE1 3.51Å; E77-F84 HydrophobicContact CB-CE2 4.18Å; E77-F84 HydrophobicContact CB-CG 3.85Å; E77-F84 HydrophobicContact CB-CZ 3.86Å; E77-F84 HydrophobicContact CG-CB 4.15Å; E77-F84 HydrophobicContact CG-CD1 3.97Å; E77-F84 HydrophobicContact CG-CD2 4.1Å; E77-F84 HydrophobicContact CG-CE1 4.39Å; E77-F84 HydrophobicContact CG-CG 3.81Å
78N89.4Confident92.1Very high121 Ų12176.7 Ų76.765%0.64737%0.371SS*.THydrogen-bonded Turntrans-63-16.7172.6-72.6-22000112.9L74L74-N78 WeakPolarHBondContact O-CB 3.38Å; L74-N78 PolarHBondContact O-N 2.9Å; L74-N78 PolarHBondContact O-ND2 3.39Å; L74-N78 VanDerWaalsContact O-ND2 3.09Å
79K87Confident92.3Very high177 Ų17770 Ų7077%0.7734%0.339SS*.THydrogen-bonded Turntrans-87.4-9.7173.9-60.3171.4-176.4170.30112.5D75 L76 E77D75-K79 WeakPolarHBondContact O-CD 3.32Å; D75-K79 WeakPolarHBondContact O-CE 3.46Å; D75-K79 WeakPolarHBondContact O-CG 3.49Å; L76-K79 WeakPolarHBondContact O-CB 3.49Å; L76-K79 PolarHBondContact O-N 2.98Å; E77-K79 PolarHBondContact O-N 3.5Å
80C81Confident92.3Very high49 Ų4971.9 Ų71.933%0.33135%0.351SS..SBendtrans-124.7126.9-174.5-62.30000109.8E77 T82E77-C80 CarbonylContact O-C 3.51Å; E77-C80 PolarHBondContact O-N 3.2Å; C80-T82 HydrophobicContact CB-CG2 4.06Å; C80-T82 PolarHBondContact O-N 3.4Å
81D83.1Confident91.8Very high174 Ų17472.5 Ų72.593%0.9335%0.351SS*.  trans-7761.8175-168.527.9000111.1
82T86.3Confident91.3Very high19 Ų1967.6 Ų67.612%0.11733%0.329CS..  trans-116.8143.7178.983.20000111.5E77 C80 F84E77-T82 PolarHBondContact OE2-OG1 3.44Å; C80-T82 HydrophobicContact CB-CG2 4.06Å; C80-T82 PolarHBondContact O-N 3.4Å; T82-F84 PolarHBondContact O-N 2.91Å
83K92.4Very high90.6Very high158 Ų15868.3 Ų68.369%0.68733%0.329SS*.  trans-71.6112.8176.2-67.4-178.7-177.7177.20109.4P57 R58P57-K83 CarbonylContact C-O 3.58Å; P57-K83 WeakPolarHBondContact CA-O 3.15Å; P57-K83 HydrophobicContact CB-CB 4.16Å; R58-K83 PolarHBondContact N-O 3.05Å
84F95.3Very high89.7Confident66 Ų6672.3 Ų72.329%0.28935%0.348SS..EExtended strand (participates in β ladder)trans-127.9160.8176.478.9-81.5000113.1R58 Y60 V73 L74 E77 T82 I86R58-F84 HydrophobicContact CB-CB 4.15Å; R58-F84 CarbonylContact O-C 3.55Å; R58-F84 WeakPolarHBondContact O-CA 3.27Å; Y60-F84 HydrophobicContact CD2-CB 4.48Å; Y60-F84 HydrophobicContact CD2-CD2 4.4Å; Y60-F84 HydrophobicContact CE2-CB 4.15Å; Y60-F84 HydrophobicContact CE2-CD2 4.45Å; V73-F84 HydrophobicContact CG1-CD2 4.38Å; V73-F84 HydrophobicContact CG1-CE2 4.45Å; L74-F84 HydrophobicContact CD2-CE2 3.88Å; L74-F84 HydrophobicContact CD2-CZ 3.92Å; E77-F84 HydrophobicContact CB-CD1 3.51Å; E77-F84 HydrophobicContact CB-CD2 4.17Å; E77-F84 HydrophobicContact CB-CE1 3.51Å; E77-F84 HydrophobicContact CB-CE2 4.18Å; E77-F84 HydrophobicContact CB-CG 3.85Å; E77-F84 HydrophobicContact CB-CZ 3.86Å; E77-F84 HydrophobicContact CG-CB 4.15Å; E77-F84 HydrophobicContact CG-CD1 3.97Å; E77-F84 HydrophobicContact CG-CD2 4.1Å; E77-F84 HydrophobicContact CG-CE1 4.39Å; E77-F84 HydrophobicContact CG-CG 3.81Å; T82-F84 PolarHBondContact O-N 2.91Å; F84-I86 HydrophobicContact CD2-CG1 4.28Å; F84-I86 HydrophobicContact CE2-CD1 4.24Å; F84-I86 HydrophobicContact CE2-CG1 4.28Å
85S96.4Very high88.6Confident47 Ų4775.1 Ų75.133%0.32937%0.367SS..EExtended strand (participates in β ladder)trans-147.8156.1173.358.40000110.3R58 L59 Y60R58-S85 PolarHBondContact O-N 3.1Å; L59-S85 WeakPolarHBondContact CA-O 3.49Å; L59-S85 WeakPolarHBondContact CD1-OG 3.5Å; Y60-S85 PolarHBondContact N-O 2.84Å
86I96.2Very high87.7Confident31 Ų3181.1 Ų81.116%0.15939%0.389CS..EExtended strand (participates in β ladder)trans-122.4133.8-178.7-52.6-177.9000109.1Y60 I62 E70 V73 L74 F84Y60-I86 CarbonylContact O-C 3.53Å; Y60-I86 WeakPolarHBondContact O-CA 3.25Å; I62-I86 HydrophobicContact CD1-CG2 3.65Å; I62-I86 HydrophobicContact CG1-CG2 3.88Å; E70-I86 HydrophobicContact CG-CD1 3.88Å; E70-I86 HydrophobicContact CG-CG2 4.44Å; V73-I86 HydrophobicContact CB-CD1 4.18Å; V73-I86 HydrophobicContact CG1-CD1 3.77Å; V73-I86 HydrophobicContact CG1-CG1 4.21Å; L74-I86 HydrophobicContact CD2-CD1 4.09Å; L74-I86 HydrophobicContact CG-CD1 4.34Å; F84-I86 HydrophobicContact CD2-CG1 4.28Å; F84-I86 HydrophobicContact CE2-CD1 4.24Å; F84-I86 HydrophobicContact CE2-CG1 4.28Å
87K96.2Very high87Confident111 Ų11182.2 Ų82.248%0.48339%0.394SS..EExtended strand (participates in β ladder)trans-128.7145.5173.2-68.7-68.6-179-176.50110.5L59 Y60 V61 I62 I116L59-K87 HydrophobicContact CD1-CB 4.01Å; L59-K87 HydrophobicContact CD1-CG 3.58Å; Y60-K87 PolarHBondContact O-N 2.91Å; V61-K87 WeakPolarHBondContact CA-O 3.46Å; I62-K87 WeakPolarHBondContact CG1-O 3.41Å; I62-K87 PolarHBondContact N-O 2.7Å; K87-I116 HydrophobicContact CB-CD1 4.1Å; K87-I116 HydrophobicContact CB-CG2 4.43Å; K87-I116 HydrophobicContact CG-CG2 4.44Å
88R95Very high86.5Confident129 Ų12985.3 Ų85.349%0.48742%0.416SS..EExtended strand (participates in β ladder)trans-108.7137.2-178-62.4179.3-170.492-10.1109.7I62 A64 E70I62-R88 HydrophobicContact CD1-CG 3.89Å; I62-R88 HydrophobicContact CG1-CG 3.82Å; I62-R88 WeakPolarHBondContact O-CA 3.17Å; A64-R88 HydrophobicContact CB-CB 4.37Å; E70-R88 IonicContact OE1-CZ 3.64Å; E70-R88 IonicContact OE1-NH2 2.66Å; E70-R88 PolarHBondContact OE1-NH2 3.22Å; E70-R88 IonicContact OE2-CZ 3.23Å; E70-R88 VanDerWaalsContact OE2-CZ 3.23Å; E70-R88 IonicContact OE2-NE 3.13Å; E70-R88 PolarHBondContact OE2-NE 3.49Å; E70-R88 VanDerWaalsContact OE2-NE 3.13Å; E70-R88 IonicContact OE2-NH2 2.66Å; E70-R88 PolarHBondContact OE2-NH2 3.26Å
89I93.9Very high86.2Confident1 Ų187 Ų871%0.00541%0.414CS..EExtended strand (participates in β ladder)trans-127.5151.9169.460168000110.8V61 I62 A63 A64 F112 I116 T132 I136V61-I89 HydrophobicContact CG1-CD1 3.88Å; V61-I89 HydrophobicContact CG1-CG1 3.82Å; V61-I89 HydrophobicContact CG1-CG2 4.23Å; I62-I89 PolarHBondContact O-N 3.34Å; A63-I89 CarbonylContact C-O 3.55Å; A63-I89 WeakPolarHBondContact CA-O 3.39Å; A64-I89 PolarHBondContact N-O 3.39Å; I89-F112 HydrophobicContact CG2-CB 4.25Å; I89-I116 HydrophobicContact CG2-CD1 3.51Å; I89-T132 HydrophobicContact CD1-CG2 3.55Å; I89-T132 HydrophobicContact CG1-CG2 3.72Å; I89-I136 HydrophobicContact CD1-CD1 4.17Å; I89-I136 HydrophobicContact CD1-CG1 3.95Å
90P91.6Very high86Confident40 Ų4081.8 Ų81.826%0.2640%0.404SS..  trans-56.6146171.5-2131.9000110.6A92 S109 F112P90-A92 PolarHBondContact O-N 3.35Å; P90-S109 PolarHBondContact O-OG 2.99Å; P90-F112 HydrophobicContact CG-CD1 4.41Å; P90-F112 HydrophobicContact CG-CD2 3.88Å; P90-F112 HydrophobicContact CG-CE2 4.11Å; P90-F112 HydrophobicContact CG-CG 4.04Å; P90-F112 HydrophobicContact CG-CZ 4.47Å
91R84.9Confident86.1Confident54 Ų5481.6 Ų81.620%0.20440%0.403CS..  trans-63.6132.1173.7-77.2-167-170.9-160.3-0.3109.8A63 T65 R93 E94A63-R91 HydrophobicContact CB-CG 3.55Å; T65-R91 PolarHBondContact OG1-NE 3.03Å; R91-R93 PolarHBondContact O-N 2.93Å; R91-E94 WeakPolarHBondContact CD-OE1 3.43Å; R91-E94 IonicContact NH1-OE2 3.96Å
92A82.3Confident86.2Confident2 Ų274 Ų742%0.01736%0.364CS..SBendtrans-66.1-29.7175.400000112.2P90 S105 T106 S109 G131 P135P90-A92 PolarHBondContact O-N 3.35Å; A92-S105 WeakPolarHBondContact O-CB 3.39Å; A92-S105 PolarHBondContact O-OG 3.3Å; A92-T106 HydrophobicContact CB-CG2 4.45Å; A92-T106 PolarHBondContact O-N 3.15Å; A92-T106 PolarHBondContact O-OG1 3.11Å; A92-S109 PolarHBondContact N-OG 3.2Å; A92-G131 VanDerWaalsContact CB-O 3.29Å; A92-G131 WeakPolarHBondContact CB-O 3.3Å; A92-P135 HydrophobicContact CB-CG 3.84Å
93R81.2Confident86.4Confident102 Ų10278 Ų7839%0.38538%0.384SS..SBendtrans-150.2129.9176.5-168.3-178.27795.72.9111.6R91 Q97R91-R93 PolarHBondContact O-N 2.93Å; R93-Q97 VanDerWaalsContact CA-OE1 3.24Å; R93-Q97 HydrophobicContact CG-CB 3.94Å; R93-Q97 HydrophobicContact CG-CG 4.47Å; R93-Q97 PolarHBondContact NH1-O 2.79Å
94E76.5Confident86.2Confident83 Ų8377.5 Ų77.539%0.38838%0.382SS..  trans-80.9157171.2-70.5-59.7161.600112.5R91 K96 Q97R91-E94 WeakPolarHBondContact CD-OE1 3.43Å; R91-E94 IonicContact NH1-OE2 3.96Å; E94-K96 PolarHBondContact O-N 3.29Å; E94-Q97 HydrophobicContact CB-CB 4.29Å; E94-Q97 VanDerWaalsContact O-CB 3.25Å; E94-Q97 WeakPolarHBondContact O-CB 3.09Å; E94-Q97 PolarHBondContact O-N 3.15Å
95V71.2Confident85.9Confident111 Ų11175.6 Ų75.667%0.67338%0.377SS*.THydrogen-bonded Turntrans-62129.6178.4-174.50000108.5Q97V95-Q97 VanDerWaalsContact C-N 3.27Å; V95-Q97 PolarHBondContact O-N 3.19Å
96K74.9Confident85.7Confident202 Ų20274.8 Ų74.888%0.87837%0.37SS*.THydrogen-bonded Turntrans69.16.3-173.6-55.7171.8-178.4179.40116.4E94E94-K96 PolarHBondContact O-N 3.29Å
97Q79.1Confident85.6Confident48 Ų4878 Ų7822%0.22439%0.387CS..  trans-68.5139.3172.2-172.7-175.512.400111.4R93 E94 V95 S101 S105R93-Q97 VanDerWaalsContact CA-OE1 3.24Å; R93-Q97 HydrophobicContact CG-CB 3.94Å; R93-Q97 HydrophobicContact CG-CG 4.47Å; R93-Q97 PolarHBondContact NH1-O 2.79Å; E94-Q97 HydrophobicContact CB-CB 4.29Å; E94-Q97 VanDerWaalsContact O-CB 3.25Å; E94-Q97 WeakPolarHBondContact O-CB 3.09Å; E94-Q97 PolarHBondContact O-N 3.15Å; V95-Q97 VanDerWaalsContact C-N 3.27Å; V95-Q97 PolarHBondContact O-N 3.19Å; Q97-S101 WeakPolarHBondContact CG-OG 3.1Å; Q97-S101 PolarHBondContact NE2-O 2.84Å; Q97-S101 PolarHBondContact NE2-OG 2.82Å; Q97-S105 PolarHBondContact NE2-OG 2.87Å
98S83.6Confident85.5Confident67 Ų6776 Ų7647%0.46938%0.384SS..  trans-64.3147.5176.581.60000111.8A100 S101 S102S98-A100 VanDerWaalsContact C-N 3.31Å; S98-A100 PolarHBondContact O-N 3.38Å; S98-S101 PolarHBondContact O-N 3.37Å; S98-S101 PolarHBondContact O-OG 2.87Å; S98-S101 WeakPolarHBondContact OG-CB 3.28Å; S98-S101 PolarHBondContact OG-N 2.86Å; S98-S101 PolarHBondContact OG-OG 3.45Å; S98-S102 WeakPolarHBondContact O-CB 3.41Å; S98-S102 PolarHBondContact O-N 3.09Å
99Y81.8Confident85.4Confident155 Ų15569.9 Ų69.961%0.60836%0.36SS*.Hα-helixtrans-59.9-39.8179.8-69.1-65.8000112.7S102 I103 L167Y99-S102 WeakPolarHBondContact CA-OG 3.41Å; Y99-S102 WeakPolarHBondContact O-CB 3.18Å; Y99-S102 PolarHBondContact O-N 3.17Å; Y99-S102 PolarHBondContact O-OG 2.97Å; Y99-I103 PolarHBondContact O-N 3.03Å; Y99-L167 HydrophobicContact CD1-CD2 3.89Å; Y99-L167 HydrophobicContact CE1-CD2 3.44Å; Y99-L167 VanDerWaalsContact CE1-CD2 3.44Å
100A82.7Confident85.5Confident69 Ų6970.6 Ų70.657%0.5737%0.366SS*.Hα-helixtrans-62.7-50.6178.400000111.8S98 S102 I103S98-A100 VanDerWaalsContact C-N 3.31Å; S98-A100 PolarHBondContact O-N 3.38Å; A100-S102 PolarHBondContact O-N 3.33Å; A100-I103 WeakPolarHBondContact O-CB 3.17Å; A100-I103 PolarHBondContact O-N 3.08Å
101S82.8Confident85.7Confident44 Ų4474.9 Ų74.931%0.30839%0.386SS..Hα-helixtrans-63.5-27.2176.762.30000112.7Q97 S98 I103 F104Q97-S101 WeakPolarHBondContact CG-OG 3.1Å; Q97-S101 PolarHBondContact NE2-O 2.84Å; Q97-S101 PolarHBondContact NE2-OG 2.82Å; S98-S101 PolarHBondContact O-N 3.37Å; S98-S101 PolarHBondContact O-OG 2.87Å; S98-S101 WeakPolarHBondContact OG-CB 3.28Å; S98-S101 PolarHBondContact OG-N 2.86Å; S98-S101 PolarHBondContact OG-OG 3.45Å; S101-I103 PolarHBondContact O-N 2.84Å; S101-F104 PolarHBondContact O-N 2.94Å
102S86.9Confident86.2Confident15 Ų1577.7 Ų77.711%0.10540%0.399CS..Hα-helixtrans-68.7-20-179.876.90000113.8S98 Y99 A100 S105 T106S98-S102 WeakPolarHBondContact O-CB 3.41Å; S98-S102 PolarHBondContact O-N 3.09Å; Y99-S102 WeakPolarHBondContact CA-OG 3.41Å; Y99-S102 WeakPolarHBondContact O-CB 3.18Å; Y99-S102 PolarHBondContact O-N 3.17Å; Y99-S102 PolarHBondContact O-OG 2.97Å; A100-S102 PolarHBondContact O-N 3.33Å; S102-S105 WeakPolarHBondContact CA-OG 3.49Å; S102-S105 PolarHBondContact O-OG 3.32Å; S102-S105 VanDerWaalsContact O-OG 3.11Å; S102-T106 VanDerWaalsContact O-CB 3.26Å; S102-T106 WeakPolarHBondContact O-CB 3.34Å; S102-T106 PolarHBondContact O-N 2.81Å; S102-T106 PolarHBondContact O-OG1 2.73Å
103I88.8Confident86.9Confident103 Ų10377.6 Ų77.653%0.52840%0.399SS..Hα-helixtrans-62.4-47.2174.5-61.8169.7000109.5Y99 A100 S101 T106 L107Y99-I103 PolarHBondContact O-N 3.03Å; A100-I103 WeakPolarHBondContact O-CB 3.17Å; A100-I103 PolarHBondContact O-N 3.08Å; S101-I103 PolarHBondContact O-N 2.84Å; I103-T106 WeakPolarHBondContact O-CB 3.38Å; I103-T106 PolarHBondContact O-N 3.33Å; I103-L107 HydrophobicContact CG2-CD1 4.3Å; I103-L107 WeakPolarHBondContact O-CG 3.44Å; I103-L107 PolarHBondContact O-N 2.84Å
104F89.6Confident87.6Confident148 Ų14877.1 Ų77.165%0.64940%0.399SS*.Hα-helixtrans-64.1-46.3-180-68.8-79.5000112.4S101 T106 L107 V108S101-F104 PolarHBondContact O-N 2.94Å; F104-T106 VanDerWaalsContact C-N 3.28Å; F104-T106 PolarHBondContact O-N 3.26Å; F104-L107 PolarHBondContact O-N 3.46Å; F104-V108 WeakPolarHBondContact O-CG2 3.32Å; F104-V108 PolarHBondContact O-N 3.36Å
105S89.1Confident88.5Confident26 Ų2676 Ų7618%0.18240%0.399CS..Hα-helixtrans-63.8-36.1176.346.40000111.8A92 Q97 S102 V108 S109A92-S105 WeakPolarHBondContact O-CB 3.39Å; A92-S105 PolarHBondContact O-OG 3.3Å; Q97-S105 PolarHBondContact NE2-OG 2.87Å; S102-S105 WeakPolarHBondContact CA-OG 3.49Å; S102-S105 PolarHBondContact O-OG 3.32Å; S102-S105 VanDerWaalsContact O-OG 3.11Å; S105-V108 PolarHBondContact O-N 3.36Å; S105-S109 PolarHBondContact O-N 3.31Å; S105-S109 PolarHBondContact O-OG 3.03Å; S105-S109 VanDerWaalsContact O-OG 3.1Å
106T92.3Very high89.8Confident30 Ų3072 Ų7218%0.18437%0.374CS..Hα-helixtrans-63.2-43.6173.3-57.70000111.3A92 S102 I103 F104 V108 S109 C110 I134 P135A92-T106 HydrophobicContact CB-CG2 4.45Å; A92-T106 PolarHBondContact O-N 3.15Å; A92-T106 PolarHBondContact O-OG1 3.11Å; S102-T106 VanDerWaalsContact O-CB 3.26Å; S102-T106 WeakPolarHBondContact O-CB 3.34Å; S102-T106 PolarHBondContact O-N 2.81Å; S102-T106 PolarHBondContact O-OG1 2.73Å; I103-T106 WeakPolarHBondContact O-CB 3.38Å; I103-T106 PolarHBondContact O-N 3.33Å; F104-T106 VanDerWaalsContact C-N 3.28Å; F104-T106 PolarHBondContact O-N 3.26Å; T106-V108 PolarHBondContact O-N 2.8Å; T106-S109 CarbonylContact O-C 3.59Å; T106-S109 WeakPolarHBondContact O-CB 3.26Å; T106-S109 PolarHBondContact O-N 3.11Å; T106-C110 PolarHBondContact O-N 2.93Å; T106-C110 PolarHBondContact O-SG 3.24Å; T106-I134 HydrophobicContact CG2-CG2 4.27Å; T106-P135 HydrophobicContact CG2-CG 4.08Å
107L92.9Very high90.8Very high98 Ų9862.4 Ų62.451%0.51333%0.332SS..Hα-helixtrans-61.4-44.1176.5-72.1172.5000111.8I103 F104 S109 C110 L111I103-L107 HydrophobicContact CG2-CD1 4.3Å; I103-L107 WeakPolarHBondContact O-CG 3.44Å; I103-L107 PolarHBondContact O-N 2.84Å; F104-L107 PolarHBondContact O-N 3.46Å; L107-S109 PolarHBondContact O-N 3.45Å; L107-C110 WeakPolarHBondContact O-CB 3.48Å; L107-C110 PolarHBondContact O-N 3.09Å; L107-C110 VanDerWaalsContact O-N 3.12Å; L107-L111 PolarHBondContact O-N 3.24Å; L107-L111 VanDerWaalsContact O-N 3.1Å
108V93.5Very high91.5Very high69 Ų6961.1 Ų61.142%0.41833%0.328SS..Hα-helixtrans-59.5-48.2173.9174.30000110F104 S105 T106 C110 L111 F112F104-V108 WeakPolarHBondContact O-CG2 3.32Å; F104-V108 PolarHBondContact O-N 3.36Å; S105-V108 PolarHBondContact O-N 3.36Å; T106-V108 PolarHBondContact O-N 2.8Å; V108-C110 PolarHBondContact O-N 2.67Å; V108-L111 WeakPolarHBondContact O-CB 3.09Å; V108-L111 PolarHBondContact O-N 2.64Å; V108-F112 HydrophobicContact CG1-CD2 4.15Å; V108-F112 HydrophobicContact CG1-CE2 4.01Å; V108-F112 WeakPolarHBondContact O-CD2 3.26Å; V108-F112 PolarHBondContact O-N 3.38Å
109S93.9Very high91.9Very high0 Ų063.7 Ų63.70%034%0.335CS..Hα-helixtrans-59.1-33.7175.4-620000112.8P90 A92 S105 T106 L107 F112 A113 P135P90-S109 PolarHBondContact O-OG 2.99Å; A92-S109 PolarHBondContact N-OG 3.2Å; S105-S109 PolarHBondContact O-N 3.31Å; S105-S109 PolarHBondContact O-OG 3.03Å; S105-S109 VanDerWaalsContact O-OG 3.1Å; T106-S109 CarbonylContact O-C 3.59Å; T106-S109 WeakPolarHBondContact O-CB 3.26Å; T106-S109 PolarHBondContact O-N 3.11Å; L107-S109 PolarHBondContact O-N 3.45Å; S109-F112 PolarHBondContact O-N 3.37Å; S109-A113 VanDerWaalsContact O-CB 3.27Å; S109-A113 WeakPolarHBondContact O-CB 3.5Å; S109-A113 PolarHBondContact O-N 3.13Å; S109-P135 VanDerWaalsContact CB-CG 3.42Å
110C95.3Very high92.5Very high17 Ų1757.9 Ų57.912%0.11531%0.313CS..Hα-helixtrans-63.6-39.8174-71.90000111.9T106 L107 V108 F112 A113 F114T106-C110 PolarHBondContact O-N 2.93Å; T106-C110 PolarHBondContact O-SG 3.24Å; L107-C110 WeakPolarHBondContact O-CB 3.48Å; L107-C110 PolarHBondContact O-N 3.09Å; L107-C110 VanDerWaalsContact O-N 3.12Å; V108-C110 PolarHBondContact O-N 2.67Å; C110-F112 VanDerWaalsContact C-N 3.32Å; C110-F112 PolarHBondContact O-N 2.85Å; C110-A113 PolarHBondContact O-N 3.39Å; C110-F114 WeakPolarHBondContact O-CB 3.36Å; C110-F114 PolarHBondContact O-N 3.31Å
111L95.9Very high93Very high130 Ų13055.1 Ų55.168%0.68129%0.288SS*.Hα-helixtrans-62.6-39.9176.7-64.1175.5000111.7L107 V108 P115L107-L111 PolarHBondContact O-N 3.24Å; L107-L111 VanDerWaalsContact O-N 3.1Å; V108-L111 WeakPolarHBondContact O-CB 3.09Å; V108-L111 PolarHBondContact O-N 2.64Å; L111-P115 WeakPolarHBondContact O-CD 3.45Å
112F96Very high93.6Very high113 Ų11353 Ų5350%0.49627%0.273SS..Hα-helixtrans-71.8-36.1174.2-79.3-99.7000112.5I89 P90 V108 S109 C110 F114 P115 I116I89-F112 HydrophobicContact CG2-CB 4.25Å; P90-F112 HydrophobicContact CG-CD1 4.41Å; P90-F112 HydrophobicContact CG-CD2 3.88Å; P90-F112 HydrophobicContact CG-CE2 4.11Å; P90-F112 HydrophobicContact CG-CG 4.04Å; P90-F112 HydrophobicContact CG-CZ 4.47Å; V108-F112 HydrophobicContact CG1-CD2 4.15Å; V108-F112 HydrophobicContact CG1-CE2 4.01Å; V108-F112 WeakPolarHBondContact O-CD2 3.26Å; V108-F112 PolarHBondContact O-N 3.38Å; S109-F112 PolarHBondContact O-N 3.37Å; C110-F112 VanDerWaalsContact C-N 3.32Å; C110-F112 PolarHBondContact O-N 2.85Å; F112-F114 VanDerWaalsContact C-N 3.35Å; F112-P115 WeakPolarHBondContact O-CD 3.35Å; F112-P115 WeakPolarHBondContact O-CG 3.42Å; F112-I116 WeakPolarHBondContact O-CD1 3.4Å; F112-I116 WeakPolarHBondContact O-CG1 3.35Å
113A96.5Very high93.9Very high0 Ų055.3 Ų55.30%028%0.281CS..Hα-helixtrans-67.1-34.4176.900000112.4S109 C110 I116 V117 P135 I136 V139S109-A113 VanDerWaalsContact O-CB 3.27Å; S109-A113 WeakPolarHBondContact O-CB 3.5Å; S109-A113 PolarHBondContact O-N 3.13Å; C110-A113 PolarHBondContact O-N 3.39Å; A113-I116 WeakPolarHBondContact O-CB 3.44Å; A113-I116 PolarHBondContact O-N 2.66Å; A113-I116 VanDerWaalsContact O-N 3.09Å; A113-V117 WeakPolarHBondContact O-CG2 3.29Å; A113-V117 PolarHBondContact O-N 2.66Å; A113-P135 HydrophobicContact CB-CB 4.18Å; A113-I136 HydrophobicContact CB-CD1 3.68Å; A113-I136 HydrophobicContact CB-CG1 4.42Å; A113-V139 HydrophobicContact CB-CG2 3.99Å
114F96.3Very high94.3Very high91 Ų9151.4 Ų51.440%0.39926%0.261SS..Hα-helixtrans-52-56.6-174.8-163.5-89.9000114.3C110 F112 I116 T118 V139 L142 L143C110-F114 WeakPolarHBondContact O-CB 3.36Å; C110-F114 PolarHBondContact O-N 3.31Å; F112-F114 VanDerWaalsContact C-N 3.35Å; F114-I116 VanDerWaalsContact C-N 3.29Å; F114-I116 PolarHBondContact O-N 2.63Å; F114-T118 HydrophobicContact CD1-CG2 4.05Å; F114-T118 HydrophobicContact CE1-CG2 3.77Å; F114-T118 HydrophobicContact CE2-CG2 4.46Å; F114-T118 HydrophobicContact CZ-CG2 3.99Å; F114-T118 WeakPolarHBondContact O-CB 3.47Å; F114-T118 VanDerWaalsContact O-CG2 3.26Å; F114-T118 WeakPolarHBondContact O-CG2 3.39Å; F114-T118 PolarHBondContact O-N 2.97Å; F114-T118 PolarHBondContact O-OG1 3.01Å; F114-V139 HydrophobicContact CB-CG2 4.4Å; F114-V139 HydrophobicContact CD2-CG1 3.94Å; F114-V139 HydrophobicContact CD2-CG2 4.28Å; F114-V139 HydrophobicContact CG-CG1 4.48Å; F114-L142 HydrophobicContact CE2-CD2 4.27Å; F114-L143 HydrophobicContact CE2-CD2 4.41Å; F114-L143 HydrophobicContact CZ-CD2 4.39Å
115P96.4Very high94.7Very high60 Ų6044.3 Ų44.339%0.3923%0.23SC..Hα-helixtrans-63.6-34.9177.425.3-34.4000112.4L111 F112 T118 I119L111-P115 WeakPolarHBondContact O-CD 3.45Å; F112-P115 WeakPolarHBondContact O-CD 3.35Å; F112-P115 WeakPolarHBondContact O-CG 3.42Å; P115-T118 VanDerWaalsContact CA-OG1 3.31Å; P115-T118 WeakPolarHBondContact CA-OG1 3.05Å; P115-T118 PolarHBondContact O-OG1 3.21Å; P115-I119 HydrophobicContact CB-CD1 4.32Å; P115-I119 WeakPolarHBondContact O-CB 3.42Å; P115-I119 WeakPolarHBondContact O-CD1 3.41Å; P115-I119 WeakPolarHBondContact O-CG1 3.42Å; P115-I119 PolarHBondContact O-N 2.95Å
116I96.6Very high95.1Very high26 Ų2644 Ų4413%0.13323%0.226CC..Hα-helixtrans-64.6-51.4-178.1-62170.5000110.6M32 L59 V61 K87 I89 F112 A113 F114 F120M32-I116 HydrophobicContact CE-CG2 3.92Å; L59-I116 HydrophobicContact CD2-CG2 3.84Å; V61-I116 HydrophobicContact CG2-CG2 4.43Å; K87-I116 HydrophobicContact CB-CD1 4.1Å; K87-I116 HydrophobicContact CB-CG2 4.43Å; K87-I116 HydrophobicContact CG-CG2 4.44Å; I89-I116 HydrophobicContact CG2-CD1 3.51Å; F112-I116 WeakPolarHBondContact O-CD1 3.4Å; F112-I116 WeakPolarHBondContact O-CG1 3.35Å; A113-I116 WeakPolarHBondContact O-CB 3.44Å; A113-I116 PolarHBondContact O-N 2.66Å; A113-I116 VanDerWaalsContact O-N 3.09Å; F114-I116 VanDerWaalsContact C-N 3.29Å; F114-I116 PolarHBondContact O-N 2.63Å; I116-F120 WeakPolarHBondContact O-CB 3.03Å; I116-F120 PolarHBondContact O-N 3.11Å
117V96.6Very high95.3Very high1 Ų142.5 Ų42.51%0.00622%0.217CC..Hα-helixtrans-69.3-42.8-178.5-175.50000111.4M32 A113 I119 R121 I136 V139 A140 L143M32-V117 HydrophobicContact CE-CG2 4.14Å; M32-V117 HydrophobicContact SD-CG2 4.16Å; A113-V117 WeakPolarHBondContact O-CG2 3.29Å; A113-V117 PolarHBondContact O-N 2.66Å; V117-I119 PolarHBondContact O-N 3.03Å; V117-R121 PolarHBondContact O-N 2.83Å; V117-R121 VanDerWaalsContact O-N 3.08Å; V117-I136 HydrophobicContact CG2-CD1 4Å; V117-I136 HydrophobicContact CG2-CG2 4.12Å; V117-V139 HydrophobicContact CB-CB 4.39Å; V117-V139 HydrophobicContact CB-CG1 3.64Å; V117-V139 HydrophobicContact CG1-CG1 4.07Å; V117-V139 HydrophobicContact CG2-CB 4.18Å; V117-V139 HydrophobicContact CG2-CG1 3.94Å; V117-A140 HydrophobicContact CG1-CB 4.05Å; V117-L143 HydrophobicContact CB-CD1 4.47Å; V117-L143 HydrophobicContact CG1-CD1 3.95Å
118T93.3Very high95.3Very high22 Ų2237.9 Ų37.914%0.13519%0.193CC..Hα-helixtrans-64.5-39.6-17950.10000113.1F114 P115 R121 L143F114-T118 HydrophobicContact CD1-CG2 4.05Å; F114-T118 HydrophobicContact CE1-CG2 3.77Å; F114-T118 HydrophobicContact CE2-CG2 4.46Å; F114-T118 HydrophobicContact CZ-CG2 3.99Å; F114-T118 WeakPolarHBondContact O-CB 3.47Å; F114-T118 VanDerWaalsContact O-CG2 3.26Å; F114-T118 WeakPolarHBondContact O-CG2 3.39Å; F114-T118 PolarHBondContact O-N 2.97Å; F114-T118 PolarHBondContact O-OG1 3.01Å; P115-T118 VanDerWaalsContact CA-OG1 3.31Å; P115-T118 WeakPolarHBondContact CA-OG1 3.05Å; P115-T118 PolarHBondContact O-OG1 3.21Å; T118-R121 WeakPolarHBondContact O-CG 3.4Å; T118-L143 HydrophobicContact CG2-CD1 3.52Å; T118-L143 HydrophobicContact CG2-CD2 3.63Å; T118-L143 HydrophobicContact CG2-CG 4.15Å
119I92.7Very high94.6Very high121 Ų12135.1 Ų35.162%0.62118%0.178SC*.Hα-helixtrans-78-45.8-178.7-66.2169000110.8P115 V117 R121P115-I119 HydrophobicContact CB-CD1 4.32Å; P115-I119 WeakPolarHBondContact O-CB 3.42Å; P115-I119 WeakPolarHBondContact O-CD1 3.41Å; P115-I119 WeakPolarHBondContact O-CG1 3.42Å; P115-I119 PolarHBondContact O-N 2.95Å; V117-I119 PolarHBondContact O-N 3.03Å; I119-R121 PolarHBondContact O-N 2.96Å
120F94.6Very high93.9Very high32 Ų3236 Ų3614%0.1418%0.184CC..Hα-helixtrans-71.4-30.2-174.8-175.8-104.8000112.9R30 V31 M32 P57 L59 I116 A122R30-F120 HydrophobicContact CB-CE1 4.08Å; R30-F120 HydrophobicContact CB-CZ 4.12Å; R30-F120 WeakPolarHBondContact CD-O 3.17Å; V31-F120 WeakPolarHBondContact O-CE1 3.46Å; M32-F120 HydrophobicContact CB-CD1 4.3Å; M32-F120 HydrophobicContact CB-CE1 4.12Å; M32-F120 HydrophobicContact CE-CB 4.3Å; M32-F120 HydrophobicContact CE-CD1 3.96Å; M32-F120 HydrophobicContact CE-CG 4.46Å; P57-F120 HydrophobicContact CG-CE2 4.15Å; P57-F120 HydrophobicContact CG-CZ 4.39Å; L59-F120 HydrophobicContact CB-CD1 3.99Å; L59-F120 HydrophobicContact CB-CD2 3.9Å; L59-F120 HydrophobicContact CB-CE1 3.61Å; L59-F120 HydrophobicContact CB-CE2 3.51Å; L59-F120 HydrophobicContact CB-CG 4.12Å; L59-F120 HydrophobicContact CB-CZ 3.34Å; L59-F120 HydrophobicContact CD2-CB 3.69Å; L59-F120 HydrophobicContact CD2-CD1 3.71Å; L59-F120 HydrophobicContact CD2-CD2 3.64Å; L59-F120 HydrophobicContact CD2-CE1 4.23Å; L59-F120 HydrophobicContact CD2-CE2 4.17Å; L59-F120 HydrophobicContact CD2-CG 3.38Å; L59-F120 HydrophobicContact CD2-CZ 4.43Å; L59-F120 HydrophobicContact CG-CD1 4.48Å; L59-F120 HydrophobicContact CG-CD2 4.38Å; L59-F120 HydrophobicContact CG-CE2 4.45Å; L59-F120 HydrophobicContact CG-CG 4.4Å; I116-F120 WeakPolarHBondContact O-CB 3.03Å; I116-F120 PolarHBondContact O-N 3.11Å; F120-A122 HydrophobicContact CD1-CB 3.75Å; F120-A122 HydrophobicContact CE1-CB 3.84Å; F120-A122 PolarHBondContact O-N 2.96Å
121R93.1Very high93.4Very high12 Ų1236.5 Ų36.55%0.04519%0.193CC..  trans49.157.6178.4-63.1-1797185.7-9.9111.7V117 T118 I119 K123 I148 H149V117-R121 PolarHBondContact O-N 2.83Å; V117-R121 VanDerWaalsContact O-N 3.08Å; T118-R121 WeakPolarHBondContact O-CG 3.4Å; I119-R121 PolarHBondContact O-N 2.96Å; R121-K123 PolarHBondContact O-N 2.9Å; R121-I148 PolarHBondContact NH1-O 3.32Å; R121-I148 PolarHBondContact NH2-O 3.36Å; R121-I148 VanDerWaalsContact NH2-O 3.15Å; R121-H149 PolarHBondContact NE-CD2 2.86Å; R121-H149 PolarHBondContact NH2-CD2 2.85Å
122A94.6Very high93.1Very high0 Ų030.8 Ų30.80%016%0.163CC..  trans-61.5126.9177.500000110.1M32 F120 L124 I125 H149 T151M32-A122 HydrophobicContact CB-CB 3.62Å; F120-A122 HydrophobicContact CD1-CB 3.75Å; F120-A122 HydrophobicContact CE1-CB 3.84Å; F120-A122 PolarHBondContact O-N 2.96Å; A122-L124 VanDerWaalsContact C-N 3.3Å; A122-I125 HydrophobicContact CB-CG1 4.16Å; A122-H149 PolarHBondContact O-CE1 2.85Å; A122-T151 HydrophobicContact CB-CG2 4.44Å; A122-T151 WeakPolarHBondContact O-CB 3.3Å; A122-T151 WeakPolarHBondContact O-CG2 3.41Å; A122-T151 PolarHBondContact O-OG1 3.33Å
123K94.8Very high93.1Very high63 Ų6325.4 Ų25.427%0.27414%0.139SC..SBendtrans-71.9-31.6169.6-72.3-176.7-176.1167.50110.8D25 M28 T29 R30 R121 L152D25-K123 PolarHBondContact O-NZ 3.27Å; M28-K123 PolarHBondContact O-NZ 2.85Å; M28-K123 VanDerWaalsContact O-NZ 3.08Å; T29-K123 HydrophobicContact CG2-CB 3.85Å; R30-K123 PolarHBondContact O-N 3.23Å; R121-K123 PolarHBondContact O-N 2.9Å; K123-L152 PolarHBondContact O-N 2.77Å
124L96.4Very high93Very high20 Ų2026.5 Ų26.511%0.10515%0.145CC..EExtended strand (participates in β ladder)trans-128.6130.2177.5173.362.6000110.7T29 R30 V31 M32 Y55 A122 L152 I154T29-L124 HydrophobicContact CG2-CB 4.15Å; R30-L124 PolarHBondContact O-N 3.39Å; V31-L124 CarbonylContact C-O 3.58Å; V31-L124 WeakPolarHBondContact CA-O 3.27Å; V31-L124 HydrophobicContact CG1-CB 4.36Å; V31-L124 HydrophobicContact CG1-CD2 4.07Å; V31-L124 HydrophobicContact CG1-CG 4.11Å; V31-L124 HydrophobicContact CG2-CB 4.28Å; V31-L124 HydrophobicContact CG2-CD2 4.17Å; M32-L124 PolarHBondContact N-O 3.29Å; Y55-L124 HydrophobicContact CD1-CD2 4.33Å; Y55-L124 HydrophobicContact CE1-CD2 4.23Å; A122-L124 VanDerWaalsContact C-N 3.3Å; L124-L152 CarbonylContact C-O 3.38Å; L124-L152 WeakPolarHBondContact CA-O 3.49Å; L124-L152 HydrophobicContact CD1-CB 4.36Å; L124-L152 HydrophobicContact CD1-CD2 4.12Å; L124-L152 HydrophobicContact CD1-CG 4.06Å; L124-I154 HydrophobicContact CD1-CB 4.41Å; L124-I154 HydrophobicContact CD1-CD1 3.74Å; L124-I154 HydrophobicContact CD1-CG1 3.85Å
125I97.6Very high93Very high0 Ų022.2 Ų22.20%013%0.126CC..EExtended strand (participates in β ladder)trans-106.5122.9162.8-71.2164000108.1M32 V34 A122 C127 I136 A140 T151 L152 I153 I154M32-I125 HydrophobicContact CB-CG1 3.96Å; M32-I125 HydrophobicContact CG-CG1 4.3Å; M32-I125 CarbonylContact O-C 3.52Å; M32-I125 VanDerWaalsContact O-CA 3.28Å; M32-I125 WeakPolarHBondContact O-CA 3.35Å; M32-I125 HydrophobicContact SD-CD1 4.28Å; M32-I125 HydrophobicContact SD-CG1 4.1Å; V34-I125 HydrophobicContact CG2-CG2 4.38Å; A122-I125 HydrophobicContact CB-CG1 4.16Å; I125-C127 HydrophobicContact CG2-CB 4.49Å; I125-I136 HydrophobicContact CD1-CG2 4.12Å; I125-I136 HydrophobicContact CG2-CG2 4.43Å; I125-A140 HydrophobicContact CD1-CB 3.43Å; I125-A140 VanDerWaalsContact CD1-CB 3.43Å; I125-T151 HydrophobicContact CB-CG2 4.19Å; I125-T151 HydrophobicContact CD1-CG2 3.56Å; I125-T151 HydrophobicContact CG1-CG2 3.63Å; I125-L152 PolarHBondContact N-O 2.76Å; I125-I153 HydrophobicContact CB-CG1 4.41Å; I125-I153 HydrophobicContact CB-CG2 4.29Å; I125-I153 HydrophobicContact CD1-CG1 4.38Å; I125-I153 HydrophobicContact CG2-CG2 4.17Å; I125-I154 PolarHBondContact O-N 3.09Å
126L97.1Very high93Very high18 Ų1819.3 Ų19.39%0.09411%0.107CC..EExtended strand (participates in β ladder)trans-108.5127.9169.4-168.167.8000108.6M32 I33 V34 M44 I154 V156M32-L126 PolarHBondContact O-N 3.32Å; I33-L126 WeakPolarHBondContact CA-O 3.36Å; V34-L126 PolarHBondContact N-O 3.38Å; M44-L126 HydrophobicContact CE-CB 4.06Å; M44-L126 HydrophobicContact CE-CD2 3.85Å; M44-L126 HydrophobicContact CE-CG 3.65Å; M44-L126 WeakPolarHBondContact CE-O 3.5Å; M44-L126 HydrophobicContact SD-CG 4.43Å; L126-I154 HydrophobicContact CD1-CB 3.88Å; L126-I154 HydrophobicContact CD1-CG2 3.73Å; L126-V156 HydrophobicContact CD1-CG2 4.1Å
127C97Very high93Very high0 Ų018.1 Ų18.10%010%0.101CC..EExtended strand (participates in β ladder)trans-151.6162.1179.963.10000111.7V34 I125 C133 C137 I154 F155 V156V34-C127 HydrophobicContact CB-CB 3.81Å; V34-C127 HydrophobicContact CG2-CB 4.08Å; I125-C127 HydrophobicContact CG2-CB 4.49Å; C127-C133 HydrophobicContact CB-CB 3.8Å; C127-C137 VanDerWaalsContact SG-SG 3.64Å; C127-I154 PolarHBondContact N-O 2.98Å; C127-F155 CarbonylContact O-C 3.52Å; C127-F155 VanDerWaalsContact O-CA 3.3Å; C127-F155 WeakPolarHBondContact O-CA 3.24Å; C127-V156 PolarHBondContact O-N 3.15Å
128N94.3Very high93.1Very high1 Ų123.5 Ų23.51%0.00513%0.125CC..  trans-124-155170.864.8-6.4000111.2H40 E43 M44 P130 C133 F155 V156H40-N128 VanDerWaalsContact CA-ND2 3.27Å; H40-N128 WeakPolarHBondContact CA-ND2 3.29Å; H40-N128 VanDerWaalsContact CB-ND2 3.32Å; H40-N128 WeakPolarHBondContact CB-ND2 3.37Å; H40-N128 PolarHBondContact ND1-ND2 3.15Å; H40-N128 PolarHBondContact O-ND2 3.21Å; E43-N128 PolarHBondContact OE2-ND2 3.02Å; E43-N128 VanDerWaalsContact OE2-ND2 3.09Å; M44-N128 HydrophobicContact CG-CB 4.21Å; M44-N128 VanDerWaalsContact CG-CG 3.49Å; M44-N128 WeakPolarHBondContact CG-ND2 3.44Å; M44-N128 HydrophobicContact SD-CB 3.9Å; N128-P130 VanDerWaalsContact O-CD 3.23Å; N128-P130 WeakPolarHBondContact O-CD 3.27Å; N128-P130 WeakPolarHBondContact OD1-CD 3.25Å; N128-C133 PolarHBondContact O-SG 3.3Å; N128-F155 WeakPolarHBondContact O-CE2 3.47Å; N128-V156 VanDerWaalsContact CA-O 3.24Å; N128-V156 WeakPolarHBondContact CA-O 3.24Å; N128-V156 WeakPolarHBondContact CB-O 3.16Å
129G77.1Confident93.2Very high10 Ų1022.5 Ų22.510%0.10312%0.119CC..SBendtrans-74.8-4.1-166.400000122.2S168G129-S168 PolarHBondContact O-OG 2.71Å
130P79.2Confident93.5Very high18 Ų1816.8 Ų16.812%0.1179%0.09CC..SBendtrans-68.7147.4178.732-39.6000111G36 N128 T132 C133G36-P130 VanDerWaalsContact CA-CG 3.47Å; N128-P130 VanDerWaalsContact O-CD 3.23Å; N128-P130 WeakPolarHBondContact O-CD 3.27Å; N128-P130 WeakPolarHBondContact OD1-CD 3.25Å; P130-T132 PolarHBondContact O-N 2.87Å; P130-C133 PolarHBondContact O-N 2.77Å; P130-C133 PolarHBondContact O-SG 2.92Å
131G86.2Confident93.6Very high29 Ų2916 Ų1630%0.2999%0.087SC..THydrogen-bonded Turntrans-55.6-24.3179.700000114.1A92 C133 I134 P135A92-G131 VanDerWaalsContact CB-O 3.29Å; A92-G131 WeakPolarHBondContact CB-O 3.3Å; G131-C133 PolarHBondContact O-N 2.51Å; G131-I134 PolarHBondContact O-N 2.84Å; G131-I134 VanDerWaalsContact O-N 3.15Å; G131-P135 VanDerWaalsContact O-CD 3.25Å; G131-P135 WeakPolarHBondContact O-CD 3.25Å
132T89.8Confident93.7Very high9 Ų918.2 Ų18.26%0.05510%0.099CC..THydrogen-bonded Turntrans-57.7-25.1175.6-47.60000113.9V34 I89 P130 P135V34-T132 HydrophobicContact CG1-CG2 4.36Å; I89-T132 HydrophobicContact CD1-CG2 3.55Å; I89-T132 HydrophobicContact CG1-CG2 3.72Å; P130-T132 PolarHBondContact O-N 2.87Å; T132-P135 WeakPolarHBondContact O-CD 3.08Å
133C94.5Very high93.7Very high0 Ų018.4 Ų18.40%010%0.1CC..Hα-helixtrans-72.5-28.1177.573.20000113.3V34 C127 N128 P130 G131 I136 C137V34-C133 HydrophobicContact CB-CB 4.46Å; V34-C133 HydrophobicContact CG1-CB 4.17Å; C127-C133 HydrophobicContact CB-CB 3.8Å; N128-C133 PolarHBondContact O-SG 3.3Å; P130-C133 PolarHBondContact O-N 2.77Å; P130-C133 PolarHBondContact O-SG 2.92Å; G131-C133 PolarHBondContact O-N 2.51Å; C133-I136 PolarHBondContact O-N 3.45Å; C133-C137 WeakPolarHBondContact O-CB 3.42Å; C133-C137 PolarHBondContact O-N 2.82Å; C133-C137 PolarHBondContact O-SG 2.78Å
134I95.8Very high93.7Very high24 Ų2419 Ų1912%0.12310%0.104CC..Hα-helixtrans-62.9-48.7-174.6-63.5-57.6000112.1T106 G131 I136 C137 F138 I171 L172T106-I134 HydrophobicContact CG2-CG2 4.27Å; G131-I134 PolarHBondContact O-N 2.84Å; G131-I134 VanDerWaalsContact O-N 3.15Å; I134-I136 VanDerWaalsContact C-N 3.32Å; I134-I136 PolarHBondContact O-N 2.78Å; I134-C137 PolarHBondContact O-N 2.87Å; I134-F138 WeakPolarHBondContact O-CB 3.43Å; I134-F138 PolarHBondContact O-N 2.78Å; I134-I171 HydrophobicContact CD1-CB 4.27Å; I134-I171 HydrophobicContact CD1-CG2 4.15Å; I134-L172 HydrophobicContact CD1-CD1 4.04Å; I134-L172 HydrophobicContact CD1-CD2 3.87Å; I134-L172 HydrophobicContact CD1-CG 3.71Å
135P95.7Very high93.5Very high0 Ų023.2 Ų23.20%013%0.125CC..Hα-helixtrans-55.3-44174.9-27.833.4000114.2A92 T106 S109 A113 G131 T132 V139A92-P135 HydrophobicContact CB-CG 3.84Å; T106-P135 HydrophobicContact CG2-CG 4.08Å; S109-P135 VanDerWaalsContact CB-CG 3.42Å; A113-P135 HydrophobicContact CB-CB 4.18Å; G131-P135 VanDerWaalsContact O-CD 3.25Å; G131-P135 WeakPolarHBondContact O-CD 3.25Å; T132-P135 WeakPolarHBondContact O-CD 3.08Å; P135-V139 VanDerWaalsContact O-CG2 3.32Å; P135-V139 WeakPolarHBondContact O-CG2 2.98Å; P135-V139 PolarHBondContact O-N 2.98Å
136I96.8Very high93.3Very high0 Ų027.5 Ų27.50%015%0.148CC..Hα-helixtrans-66.4-48.9-178.6-65-70.6000110.7M32 V34 V61 I89 A113 V117 I125 C133 I134 F138 V139 A140M32-I136 HydrophobicContact SD-CD1 4.38Å; M32-I136 HydrophobicContact SD-CG2 3.41Å; M32-I136 WeakPolarHBondContact SD-CG2 3.28Å; V34-I136 HydrophobicContact CG2-CB 4.08Å; V34-I136 HydrophobicContact CG2-CG1 4.19Å; V34-I136 HydrophobicContact CG2-CG2 3.78Å; V61-I136 HydrophobicContact CG1-CD1 3.86Å; V61-I136 HydrophobicContact CG1-CG1 4.06Å; V61-I136 HydrophobicContact CG2-CD1 4.25Å; I89-I136 HydrophobicContact CD1-CD1 4.17Å; I89-I136 HydrophobicContact CD1-CG1 3.95Å; A113-I136 HydrophobicContact CB-CD1 3.68Å; A113-I136 HydrophobicContact CB-CG1 4.42Å; V117-I136 HydrophobicContact CG2-CD1 4Å; V117-I136 HydrophobicContact CG2-CG2 4.12Å; I125-I136 HydrophobicContact CD1-CG2 4.12Å; I125-I136 HydrophobicContact CG2-CG2 4.43Å; C133-I136 PolarHBondContact O-N 3.45Å; I134-I136 VanDerWaalsContact C-N 3.32Å; I134-I136 PolarHBondContact O-N 2.78Å; I136-F138 VanDerWaalsContact C-N 3.34Å; I136-F138 PolarHBondContact O-N 3.47Å; I136-V139 PolarHBondContact O-N 2.84Å; I136-A140 PolarHBondContact O-N 3.21Å
137C97.1Very high92.8Very high0 Ų037.7 Ų37.70%019%0.185CC..Hα-helixtrans-64.3-40.6178.8-63.30000111.4C127 C133 I134 V139 A140 I141 I153 L172C127-C137 VanDerWaalsContact SG-SG 3.64Å; C133-C137 WeakPolarHBondContact O-CB 3.42Å; C133-C137 PolarHBondContact O-N 2.82Å; C133-C137 PolarHBondContact O-SG 2.78Å; I134-C137 PolarHBondContact O-N 2.87Å; C137-V139 PolarHBondContact O-N 3.47Å; C137-A140 PolarHBondContact O-N 3.38Å; C137-I141 WeakPolarHBondContact O-CB 3.23Å; C137-I141 VanDerWaalsContact O-CG1 3.26Å; C137-I141 WeakPolarHBondContact O-CG1 3.41Å; C137-I141 PolarHBondContact O-N 3.05Å; C137-I153 HydrophobicContact CB-CD1 4.47Å; C137-I153 HydrophobicContact CB-CG2 4.44Å; C137-L172 HydrophobicContact CB-CD2 3.6Å
138F96.6Very high92.3Very high114 Ų11440.3 Ų40.350%0.520%0.198SC..Hα-helixtrans-60.7-46.6178.3-179.8-97.4000111.6I134 I136 I141 L142I134-F138 WeakPolarHBondContact O-CB 3.43Å; I134-F138 PolarHBondContact O-N 2.78Å; I136-F138 VanDerWaalsContact C-N 3.34Å; I136-F138 PolarHBondContact O-N 3.47Å; F138-I141 PolarHBondContact O-N 2.88Å; F138-L142 WeakPolarHBondContact O-CB 3.45Å; F138-L142 PolarHBondContact O-N 2.86Å
139V97.1Very high92Very high2 Ų241.1 Ų41.11%0.01220%0.202CC..Hα-helixtrans-61.6-45.3175.4171.60000110.8A113 F114 V117 P135 I136 C137 I141 L142 L143A113-V139 HydrophobicContact CB-CG2 3.99Å; F114-V139 HydrophobicContact CB-CG2 4.4Å; F114-V139 HydrophobicContact CD2-CG1 3.94Å; F114-V139 HydrophobicContact CD2-CG2 4.28Å; F114-V139 HydrophobicContact CG-CG1 4.48Å; V117-V139 HydrophobicContact CB-CB 4.39Å; V117-V139 HydrophobicContact CB-CG1 3.64Å; V117-V139 HydrophobicContact CG1-CG1 4.07Å; V117-V139 HydrophobicContact CG2-CB 4.18Å; V117-V139 HydrophobicContact CG2-CG1 3.94Å; P135-V139 VanDerWaalsContact O-CG2 3.32Å; P135-V139 WeakPolarHBondContact O-CG2 2.98Å; P135-V139 PolarHBondContact O-N 2.98Å; I136-V139 PolarHBondContact O-N 2.84Å; C137-V139 PolarHBondContact O-N 3.47Å; V139-I141 PolarHBondContact O-N 2.75Å; V139-L142 WeakPolarHBondContact O-CB 3.13Å; V139-L142 PolarHBondContact O-N 2.67Å; V139-L143 HydrophobicContact CG1-CD1 4.1Å; V139-L143 HydrophobicContact CG1-CG 4.39Å; V139-L143 VanDerWaalsContact O-CG 3.3Å; V139-L143 WeakPolarHBondContact O-CG 3.48Å; V139-L143 PolarHBondContact O-N 3.48Å
140A97.3Very high92.7Very high1 Ų144.3 Ų44.31%0.00822%0.223CC..Hα-helixtrans-61.2-43.3178.800000112.4V117 I125 I136 C137 L143 H144 I153V117-A140 HydrophobicContact CG1-CB 4.05Å; I125-A140 HydrophobicContact CD1-CB 3.43Å; I125-A140 VanDerWaalsContact CD1-CB 3.43Å; I136-A140 PolarHBondContact O-N 3.21Å; C137-A140 PolarHBondContact O-N 3.38Å; A140-L143 PolarHBondContact O-N 2.99Å; A140-H144 PolarHBondContact O-N 3.36Å; A140-I153 HydrophobicContact CB-CD1 3.81Å; A140-I153 HydrophobicContact CB-CG1 4.46Å
141I96.9Very high93.4Very high16 Ų1644 Ų448%0.08222%0.22CC..Hα-helixtrans-60.5-45.6174.1-74166.7000110.9C137 F138 V139 L143 H144 I145 I153 T175 L177 V178C137-I141 WeakPolarHBondContact O-CB 3.23Å; C137-I141 VanDerWaalsContact O-CG1 3.26Å; C137-I141 WeakPolarHBondContact O-CG1 3.41Å; C137-I141 PolarHBondContact O-N 3.05Å; F138-I141 PolarHBondContact O-N 2.88Å; V139-I141 PolarHBondContact O-N 2.75Å; I141-L143 VanDerWaalsContact C-N 3.34Å; I141-L143 PolarHBondContact O-N 2.87Å; I141-H144 WeakPolarHBondContact O-CB 3.38Å; I141-H144 PolarHBondContact O-N 3.44Å; I141-I145 HydrophobicContact CG2-CD1 3.72Å; I141-I145 HydrophobicContact CG2-CG1 4.4Å; I141-I145 WeakPolarHBondContact O-CG1 3.36Å; I141-I145 PolarHBondContact O-N 3.38Å; I141-I153 HydrophobicContact CD1-CD1 4.36Å; I141-I153 HydrophobicContact CG1-CD1 3.75Å; I141-T175 HydrophobicContact CD1-CG2 4.14Å; I141-L177 HydrophobicContact CD1-CB 4.42Å; I141-L177 HydrophobicContact CG1-CB 4.19Å; I141-L177 HydrophobicContact CG1-CD1 4.42Å; I141-L177 HydrophobicContact CG2-CD1 3.53Å; I141-V178 HydrophobicContact CD1-CG2 3.94Å
142L96.1Very high93.9Very high58 Ų5846.7 Ų46.730%0.30423%0.228SC..Hα-helixtrans-59.3-46177.9178.162.4000111.2F114 F138 V139 H144 I145 L146F114-L142 HydrophobicContact CE2-CD2 4.27Å; F138-L142 WeakPolarHBondContact O-CB 3.45Å; F138-L142 PolarHBondContact O-N 2.86Å; V139-L142 WeakPolarHBondContact O-CB 3.13Å; V139-L142 PolarHBondContact O-N 2.67Å; L142-H144 VanDerWaalsContact C-N 3.29Å; L142-H144 PolarHBondContact O-N 3.31Å; L142-I145 PolarHBondContact O-N 3.11Å; L142-L146 HydrophobicContact CD1-CD1 3.93Å; L142-L146 HydrophobicContact CD1-CG 4.12Å; L142-L146 HydrophobicContact CG-CD1 3.95Å; L142-L146 HydrophobicContact CG-CG 4.48Å; L142-L146 WeakPolarHBondContact O-CB 3.44Å; L142-L146 VanDerWaalsContact O-CG 3.26Å; L142-L146 WeakPolarHBondContact O-CG 3.32Å; L142-L146 PolarHBondContact O-N 3.15Å
143L94.6Very high94.2Very high3 Ų346.5 Ų46.52%0.01623%0.226CC..Hα-helixtrans-64.7-33177.6-64.3174.9000112.9F114 V117 T118 V139 A140 I141 R147 I148 H149F114-L143 HydrophobicContact CE2-CD2 4.41Å; F114-L143 HydrophobicContact CZ-CD2 4.39Å; V117-L143 HydrophobicContact CB-CD1 4.47Å; V117-L143 HydrophobicContact CG1-CD1 3.95Å; T118-L143 HydrophobicContact CG2-CD1 3.52Å; T118-L143 HydrophobicContact CG2-CD2 3.63Å; T118-L143 HydrophobicContact CG2-CG 4.15Å; V139-L143 HydrophobicContact CG1-CD1 4.1Å; V139-L143 HydrophobicContact CG1-CG 4.39Å; V139-L143 VanDerWaalsContact O-CG 3.3Å; V139-L143 WeakPolarHBondContact O-CG 3.48Å; V139-L143 PolarHBondContact O-N 3.48Å; A140-L143 PolarHBondContact O-N 2.99Å; I141-L143 VanDerWaalsContact C-N 3.34Å; I141-L143 PolarHBondContact O-N 2.87Å; L143-R147 PolarHBondContact O-N 2.86Å; L143-I148 HydrophobicContact CD2-CB 4.35Å; L143-I148 HydrophobicContact CD2-CD1 3.98Å; L143-I148 HydrophobicContact CD2-CG2 4.36Å; L143-I148 PolarHBondContact O-N 3.08Å; L143-H149 CarbonylContact C-O 3.33Å; L143-H149 PolarHBondContact O-N 2.58Å
144H93.8Very high94.4Very high77 Ų7748 Ų4836%0.35623%0.234SC..Hα-helixtrans-66.8-48.2173.4176.385.8000111.2A140 I141 L142 L146 R147 H149 S150A140-H144 PolarHBondContact O-N 3.36Å; I141-H144 WeakPolarHBondContact O-CB 3.38Å; I141-H144 PolarHBondContact O-N 3.44Å; L142-H144 VanDerWaalsContact C-N 3.29Å; L142-H144 PolarHBondContact O-N 3.31Å; H144-L146 VanDerWaalsContact C-N 3.31Å; H144-L146 PolarHBondContact O-N 3.19Å; H144-R147 WeakPolarHBondContact O-CA 3.27Å; H144-R147 PolarHBondContact O-N 3.13Å; H144-H149 VanDerWaalsContact CA-O 3.3Å; H144-H149 WeakPolarHBondContact CA-O 3.49Å; H144-H149 PolarHBondContact N-O 3.32Å; H144-S150 PolarHBondContact CE1-OG 2.6Å; H144-S150 PolarHBondContact ND1-OG 3.06Å
145I93.9Very high94.5Very high107 Ų10746.9 Ų46.955%0.54923%0.228SC..Hα-helixtrans-61.2-41.1177.9-68.3168.5000111I141 L142 R147 L177I141-I145 HydrophobicContact CG2-CD1 3.72Å; I141-I145 HydrophobicContact CG2-CG1 4.4Å; I141-I145 WeakPolarHBondContact O-CG1 3.36Å; I141-I145 PolarHBondContact O-N 3.38Å; L142-I145 PolarHBondContact O-N 3.11Å; I145-R147 PolarHBondContact O-N 3.07Å; I145-L177 HydrophobicContact CD1-CD1 4.18Å; I145-L177 HydrophobicContact CG1-CD1 4.33Å
146L91.7Very high94.5Very high91 Ų9147.1 Ų47.148%0.47623%0.229SC..THydrogen-bonded Turntrans-74.31.7176-64.5176.6000113.6L142 H144 I148L142-L146 HydrophobicContact CD1-CD1 3.93Å; L142-L146 HydrophobicContact CD1-CG 4.12Å; L142-L146 HydrophobicContact CG-CD1 3.95Å; L142-L146 HydrophobicContact CG-CG 4.48Å; L142-L146 WeakPolarHBondContact O-CB 3.44Å; L142-L146 VanDerWaalsContact O-CG 3.26Å; L142-L146 WeakPolarHBondContact O-CG 3.32Å; L142-L146 PolarHBondContact O-N 3.15Å; H144-L146 VanDerWaalsContact C-N 3.31Å; H144-L146 PolarHBondContact O-N 3.19Å; L146-I148 HydrophobicContact CB-CD1 3.88Å; L146-I148 HydrophobicContact CB-CG1 4.01Å; L146-I148 HydrophobicContact CD1-CD1 4.16Å; L146-I148 PolarHBondContact O-N 3.42Å
147R86.9Confident94.5Very high232 Ų23247.1 Ų47.188%0.87523%0.229SC*.THydrogen-bonded Turntrans56.427.4-179.2-57.7-175.5175.3177.5-1.6114.4L143 H144 I145L143-R147 PolarHBondContact O-N 2.86Å; H144-R147 WeakPolarHBondContact O-CA 3.27Å; H144-R147 PolarHBondContact O-N 3.13Å; I145-R147 PolarHBondContact O-N 3.07Å
148I87.5Confident94.4Very high54 Ų5447.5 Ų47.528%0.27723%0.232SC..SBendtrans-85.4-42.5179.1-64.3171.3000110.9F17 R121 L143 L146F17-I148 HydrophobicContact CD1-CG2 4.34Å; F17-I148 HydrophobicContact CD2-CG2 3.68Å; F17-I148 HydrophobicContact CE1-CG2 4.27Å; F17-I148 HydrophobicContact CE2-CG2 3.65Å; F17-I148 HydrophobicContact CG-CG2 4.04Å; F17-I148 HydrophobicContact CZ-CG2 3.95Å; R121-I148 PolarHBondContact NH1-O 3.32Å; R121-I148 PolarHBondContact NH2-O 3.36Å; R121-I148 VanDerWaalsContact NH2-O 3.15Å; L143-I148 HydrophobicContact CD2-CB 4.35Å; L143-I148 HydrophobicContact CD2-CD1 3.98Å; L143-I148 HydrophobicContact CD2-CG2 4.36Å; L143-I148 PolarHBondContact O-N 3.08Å; L146-I148 HydrophobicContact CB-CD1 3.88Å; L146-I148 HydrophobicContact CB-CG1 4.01Å; L146-I148 HydrophobicContact CD1-CD1 4.16Å; L146-I148 PolarHBondContact O-N 3.42Å
149H87.5Confident94.3Very high19 Ų1944.6 Ų44.69%0.08822%0.221CC..  trans-157.7130.7-179.5-174.4-93.5000109.9R121 A122 L143 H144 T151R121-H149 PolarHBondContact NE-CD2 2.86Å; R121-H149 PolarHBondContact NH2-CD2 2.85Å; A122-H149 PolarHBondContact O-CE1 2.85Å; L143-H149 CarbonylContact C-O 3.33Å; L143-H149 PolarHBondContact O-N 2.58Å; H144-H149 VanDerWaalsContact CA-O 3.3Å; H144-H149 WeakPolarHBondContact CA-O 3.49Å; H144-H149 PolarHBondContact N-O 3.32Å; H149-T151 PolarHBondContact CE1-OG1 3.45Å; H149-T151 PolarHBondContact ND1-OG1 3.09Å
150S91.2Very high94.1Very high77 Ų7749.3 Ų49.354%0.53825%0.253SS..  trans-97129173.2-167.80000110H144H144-S150 PolarHBondContact CE1-OG 2.6Å; H144-S150 PolarHBondContact ND1-OG 3.06Å
151T94.3Very high93.9Very high11 Ų1154.9 Ų54.97%0.06727%0.274CS..  trans-125.4130.1178.5-63.30000108.7A122 I125 H149 I153A122-T151 HydrophobicContact CB-CG2 4.44Å; A122-T151 WeakPolarHBondContact O-CB 3.3Å; A122-T151 WeakPolarHBondContact O-CG2 3.41Å; A122-T151 PolarHBondContact O-OG1 3.33Å; I125-T151 HydrophobicContact CB-CG2 4.19Å; I125-T151 HydrophobicContact CD1-CG2 3.56Å; I125-T151 HydrophobicContact CG1-CG2 3.63Å; H149-T151 PolarHBondContact CE1-OG1 3.45Å; H149-T151 PolarHBondContact ND1-OG1 3.09Å; T151-I153 HydrophobicContact CG2-CG1 4.27Å
152L96.2Very high93.8Very high86 Ų8656.6 Ų56.645%0.4529%0.285SS..EExtended strand (participates in β ladder)trans-72.4125.3166.8176.660.3000108.3K123 L124 I125 I154 D179K123-L152 PolarHBondContact O-N 2.77Å; L124-L152 CarbonylContact C-O 3.38Å; L124-L152 WeakPolarHBondContact CA-O 3.49Å; L124-L152 HydrophobicContact CD1-CB 4.36Å; L124-L152 HydrophobicContact CD1-CD2 4.12Å; L124-L152 HydrophobicContact CD1-CG 4.06Å; I125-L152 PolarHBondContact N-O 2.76Å; L152-I154 HydrophobicContact CD2-CD1 4.28Å; L152-I154 HydrophobicContact CD2-CG1 4.46Å; L152-I154 HydrophobicContact CG-CG1 4.2Å; L152-D179 WeakPolarHBondContact CD1-OD2 3.15Å
153I97.5Very high93.7Very high4 Ų461.7 Ų61.72%0.02131%0.305CS..EExtended strand (participates in β ladder)trans-114.1118.8179.1-50.8175.4000107.9I125 C137 A140 I141 T151 V178 D179I125-I153 HydrophobicContact CB-CG1 4.41Å; I125-I153 HydrophobicContact CB-CG2 4.29Å; I125-I153 HydrophobicContact CD1-CG1 4.38Å; I125-I153 HydrophobicContact CG2-CG2 4.17Å; C137-I153 HydrophobicContact CB-CD1 4.47Å; C137-I153 HydrophobicContact CB-CG2 4.44Å; A140-I153 HydrophobicContact CB-CD1 3.81Å; A140-I153 HydrophobicContact CB-CG1 4.46Å; I141-I153 HydrophobicContact CD1-CD1 4.36Å; I141-I153 HydrophobicContact CG1-CD1 3.75Å; T151-I153 HydrophobicContact CG2-CG1 4.27Å; I153-V178 HydrophobicContact CB-CB 4.45Å; I153-V178 HydrophobicContact CB-CG1 4.1Å; I153-V178 HydrophobicContact CB-CG2 4.05Å; I153-V178 HydrophobicContact CD1-CG2 4.21Å; I153-V178 HydrophobicContact CG2-CB 4.44Å; I153-V178 HydrophobicContact CG2-CG1 3.74Å; I153-V178 HydrophobicContact CG2-CG2 4Å; I153-V178 WeakPolarHBondContact O-CG1 3.47Å; I153-D179 PolarHBondContact O-N 3.16Å
154I97.6Very high93.8Very high33 Ų3364.1 Ų64.117%0.16932%0.32CS..EExtended strand (participates in β ladder)trans-110.6117.3174.4-60-178.6000108L124 I125 L126 C127 L152 V156 D179 I181L124-I154 HydrophobicContact CD1-CB 4.41Å; L124-I154 HydrophobicContact CD1-CD1 3.74Å; L124-I154 HydrophobicContact CD1-CG1 3.85Å; I125-I154 PolarHBondContact O-N 3.09Å; L126-I154 HydrophobicContact CD1-CB 3.88Å; L126-I154 HydrophobicContact CD1-CG2 3.73Å; C127-I154 PolarHBondContact N-O 2.98Å; L152-I154 HydrophobicContact CD2-CD1 4.28Å; L152-I154 HydrophobicContact CD2-CG1 4.46Å; L152-I154 HydrophobicContact CG-CG1 4.2Å; I154-V156 HydrophobicContact CG2-CG2 4.21Å; I154-D179 HydrophobicContact CG1-CB 4.45Å; I154-I181 HydrophobicContact CG2-CD1 3.42Å; I154-I181 VanDerWaalsContact CG2-CD1 3.42Å; I154-I181 HydrophobicContact CG2-CG1 4.11Å
155F97.6Very high93.9Very high0 Ų060.6 Ų60.60%030%0.303CS..EExtended strand (participates in β ladder)trans-103.9117.9171.9176-89.1000109.2C127 N128 E157 G169 L172 V178 D179 V180 I181C127-F155 CarbonylContact O-C 3.52Å; C127-F155 VanDerWaalsContact O-CA 3.3Å; C127-F155 WeakPolarHBondContact O-CA 3.24Å; N128-F155 WeakPolarHBondContact O-CE2 3.47Å; F155-E157 HydrophobicContact CE1-CB 3.97Å; F155-G169 VanDerWaalsContact CZ-CA 3.44Å; F155-L172 HydrophobicContact CB-CD1 4.04Å; F155-L172 HydrophobicContact CD2-CD1 3.37Å; F155-L172 HydrophobicContact CE2-CD1 3.97Å; F155-L172 HydrophobicContact CG-CD1 3.86Å; F155-V178 HydrophobicContact CB-CG1 3.79Å; F155-D179 PolarHBondContact N-O 3.21Å; F155-V180 HydrophobicContact CB-CG2 4.5Å; F155-V180 HydrophobicContact CD1-CG1 4.11Å; F155-V180 HydrophobicContact CD1-CG2 4.44Å; F155-V180 CarbonylContact O-C 3.55Å; F155-V180 WeakPolarHBondContact O-CA 3.33Å; F155-I181 PolarHBondContact O-N 2.92Å
156V97.1Very high93.9Very high4 Ų455.9 Ų55.92%0.02428%0.28CS..EExtended strand (participates in β ladder)trans-97.4115.3173.8-171.10000108.8Y47 L126 C127 N128 I154 I181 L200Y47-V156 HydrophobicContact CD2-CG2 4.27Å; Y47-V156 HydrophobicContact CE2-CB 3.84Å; Y47-V156 HydrophobicContact CE2-CG1 3.63Å; Y47-V156 HydrophobicContact CE2-CG2 4Å; L126-V156 HydrophobicContact CD1-CG2 4.1Å; C127-V156 PolarHBondContact O-N 3.15Å; N128-V156 VanDerWaalsContact CA-O 3.24Å; N128-V156 WeakPolarHBondContact CA-O 3.24Å; N128-V156 WeakPolarHBondContact CB-O 3.16Å; I154-V156 HydrophobicContact CG2-CG2 4.21Å; V156-I181 HydrophobicContact CG1-CG2 4.33Å; V156-I181 HydrophobicContact CG2-CB 4.38Å; V156-I181 HydrophobicContact CG2-CD1 4.31Å; V156-L200 HydrophobicContact CG1-CD1 3.81Å
157E96.7Very high94Very high1 Ų155.9 Ų55.91%0.00528%0.28CS..  trans-67.9141.1174.2-172.959.6-94.300110.5F155 R161 L165 S166 I181 V182 Q183 L187F155-E157 HydrophobicContact CE1-CB 3.97Å; E157-R161 HydrophobicContact CG-CB 3.72Å; E157-R161 HydrophobicContact CG-CG 4.09Å; E157-R161 WeakPolarHBondContact OE1-CG 3.47Å; E157-L165 HydrophobicContact CB-CD2 4.18Å; E157-L165 HydrophobicContact CG-CD2 3.9Å; E157-L165 WeakPolarHBondContact OE2-CA 3.41Å; E157-S166 WeakPolarHBondContact OE1-CB 3.45Å; E157-S166 PolarHBondContact OE1-OG 2.83Å; E157-S166 WeakPolarHBondContact OE2-CB 3.5Å; E157-S166 PolarHBondContact OE2-N 3.36Å; E157-S166 PolarHBondContact OE2-OG 3.3Å; E157-I181 WeakPolarHBondContact CB-O 3.25Å; E157-I181 PolarHBondContact N-O 3.49Å; E157-V182 HydrophobicContact CB-CG1 4.41Å; E157-Q183 PolarHBondContact O-NE2 3.28Å; E157-L187 HydrophobicContact CG-CD1 4.22Å
158S94.8Very high94.4Very high8 Ų845.4 Ų45.46%0.05624%0.242CC..  trans-65.1148.3-175.71730000112.3E43 C160 R161E43-S158 WeakPolarHBondContact OE1-CA 3.04Å; E43-S158 WeakPolarHBondContact OE1-CB 3.43Å; E43-S158 PolarHBondContact OE1-OG 3.4Å; E43-S158 PolarHBondContact OE2-OG 2.9Å; S158-C160 PolarHBondContact O-N 3.25Å; S158-C160 VanDerWaalsContact O-N 3.09Å; S158-C160 PolarHBondContact OG-N 3.43Å; S158-R161 PolarHBondContact O-N 2.93Å
159I93.8Very high94.8Very high53 Ų5342.8 Ų42.827%0.27223%0.229SC..THydrogen-bonded Turntrans-56.5-28.6177.6-165.1171.9000111.9E43 R161 W184 L199E43-I159 WeakPolarHBondContact OE1-CG2 3.15Å; E43-I159 PolarHBondContact OE1-N 2.89Å; I159-R161 PolarHBondContact O-N 2.89Å; I159-W184 PolarHBondContact O-NE1 3.07Å; I159-L199 HydrophobicContact CD1-CD2 3.76Å; I159-L199 HydrophobicContact CG1-CD2 3.84Å
160C93Very high95.2Very high101 Ų10145.6 Ų45.668%0.68224%0.241SC*.THydrogen-bonded Turntrans-71.4-10.6179.5-55.30000113.9S158S158-C160 PolarHBondContact O-N 3.25Å; S158-C160 VanDerWaalsContact O-N 3.09Å; S158-C160 PolarHBondContact OG-N 3.43Å
161R94Very high95.4Very high118 Ų11845.7 Ų45.745%0.44524%0.235SC..  trans-99.692.8-177.6-63.4-59.4-175.9179.1-3.7110.5E157 S158 I159 L187E157-R161 HydrophobicContact CG-CB 3.72Å; E157-R161 HydrophobicContact CG-CG 4.09Å; E157-R161 WeakPolarHBondContact OE1-CG 3.47Å; S158-R161 PolarHBondContact O-N 2.93Å; I159-R161 PolarHBondContact O-N 2.89Å; R161-L187 WeakPolarHBondContact O-CD1 3.43Å
162T94.4Very high95.5Very high52 Ų5245.3 Ų45.332%0.31923%0.232SC..SBendtrans-92.3-39.6-178.564.30000113.3W184T162-W184 HydrophobicContact CG2-CD2 3.77Å; T162-W184 VanDerWaalsContact CG2-CE2 3.42Å; T162-W184 HydrophobicContact CG2-CE3 4.33Å; T162-W184 HydrophobicContact CG2-CG 4.15Å; T162-W184 HydrophobicContact CG2-CH2 4.3Å; T162-W184 HydrophobicContact CG2-CZ2 3.72Å
163K94.2Very high95.5Very high165 Ų16542 Ų4272%0.71721%0.214SC*.SBendtrans-101.2-30.9-171.4-58.3-164.5179.4-173.70115.2
164T95.9Very high95.5Very high53 Ų5349.2 Ų49.233%0.32524%0.242SC..SBendtrans-146.4143.9-178.962.60000111.3L187T164-L187 VanDerWaalsContact C-CD2 3.44Å; T164-L187 VanDerWaalsContact CA-CD2 3.49Å
165L96Very high95.4Very high3 Ų350.1 Ų50.12%0.01625%0.249CC..  trans-54.2146.4167.9-66.3179.3000111.2E157 K170 Y173 V180 V182 L187 Y191E157-L165 HydrophobicContact CB-CD2 4.18Å; E157-L165 HydrophobicContact CG-CD2 3.9Å; E157-L165 WeakPolarHBondContact OE2-CA 3.41Å; L165-K170 HydrophobicContact CB-CG 3.81Å; L165-K170 WeakPolarHBondContact O-CE 3.48Å; L165-Y173 HydrophobicContact CD1-CD2 4.38Å; L165-Y173 HydrophobicContact CD1-CG 4.15Å; L165-V180 HydrophobicContact CD1-CG1 4.42Å; L165-V180 HydrophobicContact CD2-CG1 4.22Å; L165-V182 HydrophobicContact CD2-CG1 3.78Å; L165-L187 HydrophobicContact CD2-CD1 4.2Å; L165-L187 HydrophobicContact CD2-CD2 4.49Å; L165-Y191 HydrophobicContact CB-CE2 4.22Å; L165-Y191 HydrophobicContact CD1-CD1 3.62Å; L165-Y191 HydrophobicContact CD1-CD2 3.93Å; L165-Y191 HydrophobicContact CD1-CE1 3.76Å; L165-Y191 HydrophobicContact CD1-CE2 4.09Å; L165-Y191 HydrophobicContact CD1-CG 3.71Å; L165-Y191 HydrophobicContact CG-CD1 4.27Å; L165-Y191 HydrophobicContact CG-CD2 3.73Å; L165-Y191 HydrophobicContact CG-CE1 4.17Å; L165-Y191 HydrophobicContact CG-CE2 3.64Å; L165-Y191 HydrophobicContact CG-CG 4.06Å
166S94.9Very high95.3Very high8 Ų859.6 Ų59.66%0.05629%0.285CS..  trans-57.3162.7165.864.20000110.7E157 S168 G169 K170E157-S166 WeakPolarHBondContact OE1-CB 3.45Å; E157-S166 PolarHBondContact OE1-OG 2.83Å; E157-S166 WeakPolarHBondContact OE2-CB 3.5Å; E157-S166 PolarHBondContact OE2-N 3.36Å; E157-S166 PolarHBondContact OE2-OG 3.3Å; S166-S168 VanDerWaalsContact C-N 3.26Å; S166-S168 PolarHBondContact O-N 3.26Å; S166-G169 PolarHBondContact O-N 3.24Å; S166-G169 PolarHBondContact OG-N 3.01Å; S166-K170 WeakPolarHBondContact O-CG 3.35Å; S166-K170 PolarHBondContact O-N 3.5Å
167L92.8Very high95.2Very high91 Ų9162.9 Ų62.948%0.47630%0.302SS..Hα-helixtrans-58.1-43.6175.517961.3000111Y99 K170 I171Y99-L167 HydrophobicContact CD1-CD2 3.89Å; Y99-L167 HydrophobicContact CE1-CD2 3.44Å; Y99-L167 VanDerWaalsContact CE1-CD2 3.44Å; L167-K170 PolarHBondContact O-N 3.37Å; L167-I171 HydrophobicContact CD1-CD1 4.26Å; L167-I171 HydrophobicContact CD1-CG1 4.4Å; L167-I171 HydrophobicContact CG-CD1 4.01Å; L167-I171 VanDerWaalsContact O-CG1 3.32Å; L167-I171 WeakPolarHBondContact O-CG1 3.44Å; L167-I171 PolarHBondContact O-N 3.08Å
168S94.6Very high95.2Very high12 Ų1263.3 Ų63.38%0.08430%0.304CS..Hα-helixtrans-59-48.2175.6-46.90000111.2G129 S166 K170 I171 L172G129-S168 PolarHBondContact O-OG 2.71Å; S166-S168 VanDerWaalsContact C-N 3.26Å; S166-S168 PolarHBondContact O-N 3.26Å; S168-K170 VanDerWaalsContact C-N 3.33Å; S168-K170 PolarHBondContact O-N 2.9Å; S168-I171 PolarHBondContact O-N 3.49Å; S168-L172 WeakPolarHBondContact O-CG 3.2Å; S168-L172 PolarHBondContact O-N 3.29Å
169G96.3Very high95.3Very high0 Ų066.4 Ų66.40%032%0.32CS..Hα-helixtrans-60.1-40.117700000112.8F155 S166 Y173F155-G169 VanDerWaalsContact CZ-CA 3.44Å; S166-G169 PolarHBondContact O-N 3.24Å; S166-G169 PolarHBondContact OG-N 3.01Å; G169-Y173 WeakPolarHBondContact O-CB 3.46Å; G169-Y173 PolarHBondContact O-N 3.29Å
170K96.2Very high95.5Very high78 Ų7864 Ų6434%0.33931%0.308SS..Hα-helixtrans-63-49174.2-71.7179.1-175.9176.20111.7L165 S166 L167 S168 L172 Y173 Y174L165-K170 HydrophobicContact CB-CG 3.81Å; L165-K170 WeakPolarHBondContact O-CE 3.48Å; S166-K170 WeakPolarHBondContact O-CG 3.35Å; S166-K170 PolarHBondContact O-N 3.5Å; L167-K170 PolarHBondContact O-N 3.37Å; S168-K170 VanDerWaalsContact C-N 3.33Å; S168-K170 PolarHBondContact O-N 2.9Å; K170-L172 VanDerWaalsContact C-N 3.34Å; K170-L172 PolarHBondContact O-N 3.2Å; K170-Y173 PolarHBondContact O-N 3.09Å; K170-Y174 WeakPolarHBondContact O-CD2 3.38Å; K170-Y174 PolarHBondContact O-N 3.24Å; K170-Y174 VanDerWaalsContact O-N 3.08Å
171I95Very high95.7Very high78 Ų7860.1 Ų60.140%0.428%0.28SS..Hα-helixtrans-55.7-52.2179.3-69.1165.4000109.5I134 L167 S168 Y174 T175I134-I171 HydrophobicContact CD1-CB 4.27Å; I134-I171 HydrophobicContact CD1-CG2 4.15Å; L167-I171 HydrophobicContact CD1-CD1 4.26Å; L167-I171 HydrophobicContact CD1-CG1 4.4Å; L167-I171 HydrophobicContact CG-CD1 4.01Å; L167-I171 VanDerWaalsContact O-CG1 3.32Å; L167-I171 WeakPolarHBondContact O-CG1 3.44Å; L167-I171 PolarHBondContact O-N 3.08Å; S168-I171 PolarHBondContact O-N 3.49Å; I171-Y174 PolarHBondContact O-N 3.48Å; I171-T175 VanDerWaalsContact O-CG2 3.28Å; I171-T175 WeakPolarHBondContact O-CG2 3.34Å; I171-T175 PolarHBondContact O-N 3.26Å
172L96.8Very high95.9Very high4 Ų454.5 Ų54.52%0.02126%0.259CS..Hα-helixtrans-66.9-41.5-178.1-63.2176.7000112.2I134 C137 F155 S168 K170 Y174 T175 V178I134-L172 HydrophobicContact CD1-CD1 4.04Å; I134-L172 HydrophobicContact CD1-CD2 3.87Å; I134-L172 HydrophobicContact CD1-CG 3.71Å; C137-L172 HydrophobicContact CB-CD2 3.6Å; F155-L172 HydrophobicContact CB-CD1 4.04Å; F155-L172 HydrophobicContact CD2-CD1 3.37Å; F155-L172 HydrophobicContact CE2-CD1 3.97Å; F155-L172 HydrophobicContact CG-CD1 3.86Å; S168-L172 WeakPolarHBondContact O-CG 3.2Å; S168-L172 PolarHBondContact O-N 3.29Å; K170-L172 VanDerWaalsContact C-N 3.34Å; K170-L172 PolarHBondContact O-N 3.2Å; L172-Y174 VanDerWaalsContact C-N 3.31Å; L172-Y174 PolarHBondContact O-N 3.04Å; L172-T175 PolarHBondContact O-N 3.44Å; L172-T175 VanDerWaalsContact O-N 3.17Å; L172-T175 PolarHBondContact O-OG1 3.21Å; L172-V178 HydrophobicContact CB-CB 4.25Å; L172-V178 HydrophobicContact CB-CG1 4.2Å; L172-V178 HydrophobicContact CB-CG2 4.26Å; L172-V178 HydrophobicContact CD2-CG2 4.19Å
173Y97.3Very high96Very high16 Ų1652.1 Ų52.16%0.06325%0.245CC..Hα-helixtrans-54.6-46.7175.9-179.9-100.7000111.9L165 G169 K170 T175 R176 V180 Y191 R193L165-Y173 HydrophobicContact CD1-CD2 4.38Å; L165-Y173 HydrophobicContact CD1-CG 4.15Å; G169-Y173 WeakPolarHBondContact O-CB 3.46Å; G169-Y173 PolarHBondContact O-N 3.29Å; K170-Y173 PolarHBondContact O-N 3.09Å; Y173-T175 VanDerWaalsContact C-N 3.31Å; Y173-T175 PolarHBondContact O-N 3.35Å; Y173-R176 PolarHBondContact O-N 3.21Å; Y173-V180 HydrophobicContact CD2-CB 4.27Å; Y173-V180 HydrophobicContact CD2-CG1 4.49Å; Y173-V180 HydrophobicContact CD2-CG2 4.29Å; Y173-Y191 HydrophobicContact CD1-CD1 4.03Å; Y173-Y191 AromaticContact CE1-CD1 3.81Å; Y173-Y191 HydrophobicContact CE1-CD1 3.81Å; Y173-Y191 HydrophobicContact CG-CD1 4.47Å; Y173-Y191 VanDerWaalsContact OH-C 3.32Å; Y173-Y191 WeakPolarHBondContact OH-CA 3.49Å; Y173-R193 VanDerWaalsContact CD1-NH2 3.26Å; Y173-R193 HydrophobicContact CE2-CB 3.7Å; Y173-R193 PolarHBondContact O-NH1 2.81Å; Y173-R193 PolarHBondContact O-NH2 3.26Å; Y173-R193 PolarHBondContact OH-N 3.02Å
174Y97Very high96.1Very high156 Ų15648.1 Ų48.161%0.61223%0.225SC*.Hα-helixtrans-75.1-16.2-176.9-73.2-63.1000114.3K170 I171 L172 R176K170-Y174 WeakPolarHBondContact O-CD2 3.38Å; K170-Y174 PolarHBondContact O-N 3.24Å; K170-Y174 VanDerWaalsContact O-N 3.08Å; I171-Y174 PolarHBondContact O-N 3.48Å; L172-Y174 VanDerWaalsContact C-N 3.31Å; L172-Y174 PolarHBondContact O-N 3.04Å; Y174-R176 PolarHBondContact O-N 3.38Å
175T95.4Very high96.1Very high51 Ų5148.4 Ų48.431%0.31323%0.227SC..Hα-helixtrans-64.8-24.1171.670.30000113.1I141 I171 L172 Y173 L177I141-T175 HydrophobicContact CD1-CG2 4.14Å; I171-T175 VanDerWaalsContact O-CG2 3.28Å; I171-T175 WeakPolarHBondContact O-CG2 3.34Å; I171-T175 PolarHBondContact O-N 3.26Å; L172-T175 PolarHBondContact O-N 3.44Å; L172-T175 VanDerWaalsContact O-N 3.17Å; L172-T175 PolarHBondContact O-OG1 3.21Å; Y173-T175 VanDerWaalsContact C-N 3.31Å; Y173-T175 PolarHBondContact O-N 3.35Å; T175-L177 PolarHBondContact O-N 3.2Å; T175-L177 PolarHBondContact OG1-N 3.21Å
176R95.6Very high96.2Very high199 Ų19953.3 Ų53.375%0.75125%0.25SS*.SBendtrans6014.7-173.9-48.8-169.9170168.2-2.7115Y173 Y174Y173-R176 PolarHBondContact O-N 3.21Å; Y174-R176 PolarHBondContact O-N 3.38Å
177L95.3Very high96.2Very high73 Ų7352.9 Ų52.938%0.38225%0.248SC..SBendtrans-116.17.8-178.7-64.6171.6000112.6I141 I145 T175I141-L177 HydrophobicContact CD1-CB 4.42Å; I141-L177 HydrophobicContact CG1-CB 4.19Å; I141-L177 HydrophobicContact CG1-CD1 4.42Å; I141-L177 HydrophobicContact CG2-CD1 3.53Å; I145-L177 HydrophobicContact CD1-CD1 4.18Å; I145-L177 HydrophobicContact CG1-CD1 4.33Å; T175-L177 PolarHBondContact O-N 3.2Å; T175-L177 PolarHBondContact OG1-N 3.21Å
178V96.7Very high96.5Very high10 Ų1052.3 Ų52.36%0.06124%0.241CC..SBendtrans-132.2133.6-175-178.90000109.1I141 I153 F155 L172 V180I141-V178 HydrophobicContact CD1-CG2 3.94Å; I153-V178 HydrophobicContact CB-CB 4.45Å; I153-V178 HydrophobicContact CB-CG1 4.1Å; I153-V178 HydrophobicContact CB-CG2 4.05Å; I153-V178 HydrophobicContact CD1-CG2 4.21Å; I153-V178 HydrophobicContact CG2-CB 4.44Å; I153-V178 HydrophobicContact CG2-CG1 3.74Å; I153-V178 HydrophobicContact CG2-CG2 4Å; I153-V178 WeakPolarHBondContact O-CG1 3.47Å; F155-V178 HydrophobicContact CB-CG1 3.79Å; L172-V178 HydrophobicContact CB-CB 4.25Å; L172-V178 HydrophobicContact CB-CG1 4.2Å; L172-V178 HydrophobicContact CB-CG2 4.26Å; L172-V178 HydrophobicContact CD2-CG2 4.19Å; V178-V180 HydrophobicContact CG1-CG2 4.41Å; V178-V180 PolarHBondContact O-N 2.9Å
179D97Very high96.6Very high73 Ų7357.5 Ų57.539%0.3927%0.272SS..EExtended strand (participates in β ladder)trans-79.5108.3171.8-71.6-23.1000108.9L152 I153 I154 F155 I195L152-D179 WeakPolarHBondContact CD1-OD2 3.15Å; I153-D179 PolarHBondContact O-N 3.16Å; I154-D179 HydrophobicContact CG1-CB 4.45Å; F155-D179 PolarHBondContact N-O 3.21Å; D179-I195 HydrophobicContact CB-CD1 4.24Å
180V97.4Very high96.6Very high3 Ų363.5 Ų63.52%0.01830%0.299CS..EExtended strand (participates in β ladder)trans-94.2108.2-179.81750000108.9F155 L165 Y173 V178 V182 S194 I195F155-V180 HydrophobicContact CB-CG2 4.5Å; F155-V180 HydrophobicContact CD1-CG1 4.11Å; F155-V180 HydrophobicContact CD1-CG2 4.44Å; F155-V180 CarbonylContact O-C 3.55Å; F155-V180 WeakPolarHBondContact O-CA 3.33Å; L165-V180 HydrophobicContact CD1-CG1 4.42Å; L165-V180 HydrophobicContact CD2-CG1 4.22Å; Y173-V180 HydrophobicContact CD2-CB 4.27Å; Y173-V180 HydrophobicContact CD2-CG1 4.49Å; Y173-V180 HydrophobicContact CD2-CG2 4.29Å; V178-V180 HydrophobicContact CG1-CG2 4.41Å; V178-V180 PolarHBondContact O-N 2.9Å; V180-V182 HydrophobicContact CG1-CG1 4.3Å; V180-S194 CarbonylContact O-C 3.57Å; V180-S194 WeakPolarHBondContact O-CA 3.28Å; V180-S194 VanDerWaalsContact O-CB 3.24Å; V180-S194 WeakPolarHBondContact O-CB 3.26Å; V180-I195 PolarHBondContact O-N 2.89Å
181I97.3Very high96.7Very high19 Ų1960.4 Ų60.410%0.09729%0.285CS..EExtended strand (participates in β ladder)trans-87.3133.8174-62.7175.1000109.3I154 F155 V156 E157 I195 L197 L200I154-I181 HydrophobicContact CG2-CD1 3.42Å; I154-I181 VanDerWaalsContact CG2-CD1 3.42Å; I154-I181 HydrophobicContact CG2-CG1 4.11Å; F155-I181 PolarHBondContact O-N 2.92Å; V156-I181 HydrophobicContact CG1-CG2 4.33Å; V156-I181 HydrophobicContact CG2-CB 4.38Å; V156-I181 HydrophobicContact CG2-CD1 4.31Å; E157-I181 WeakPolarHBondContact CB-O 3.25Å; E157-I181 PolarHBondContact N-O 3.49Å; I181-I195 CarbonylContact C-O 3.44Å; I181-I195 VanDerWaalsContact CA-O 3.29Å; I181-I195 WeakPolarHBondContact CA-O 3.43Å; I181-I195 HydrophobicContact CG1-CB 4.29Å; I181-L197 HydrophobicContact CD1-CD1 3.86Å; I181-L197 HydrophobicContact CG1-CD1 4.35Å; I181-L197 HydrophobicContact CG2-CB 4.28Å; I181-L197 HydrophobicContact CG2-CD1 3.82Å; I181-L197 HydrophobicContact CG2-CG 4.04Å; I181-L200 HydrophobicContact CG2-CD1 3.84Å
182V97.3Very high96.7Very high0 Ų060.8 Ų60.80%029%0.293CS..EExtended strand (participates in β ladder)trans-122.5144.5176.1-62.10000110.5E157 L165 V180 L187 K188 S194 I195 Y196 L197E157-V182 HydrophobicContact CB-CG1 4.41Å; L165-V182 HydrophobicContact CD2-CG1 3.78Å; V180-V182 HydrophobicContact CG1-CG1 4.3Å; V182-L187 HydrophobicContact CB-CB 3.83Å; V182-L187 HydrophobicContact CB-CD1 3.92Å; V182-L187 HydrophobicContact CG1-CB 3.9Å; V182-L187 HydrophobicContact CG1-CD1 3.88Å; V182-L187 HydrophobicContact CG2-CB 4.07Å; V182-K188 HydrophobicContact CG2-CB 4.14Å; V182-S194 VanDerWaalsContact CG2-OG 3.27Å; V182-S194 WeakPolarHBondContact CG2-OG 3.38Å; V182-I195 PolarHBondContact N-O 3.17Å; V182-Y196 HydrophobicContact CG2-CD2 4.44Å; V182-Y196 WeakPolarHBondContact O-CA 3.44Å; V182-L197 PolarHBondContact O-N 3.2Å
183Q96.7Very high96.7Very high3 Ų365.7 Ų65.71%0.01431%0.311CS..SBendtrans-99.3-7.5-176.6-59.2-17263.600113.5Y47 E157 Y196 G198 L200Y47-Q183 PolarHBondContact OH-NE2 2.61Å; E157-Q183 PolarHBondContact O-NE2 3.28Å; Q183-Y196 WeakPolarHBondContact O-CE2 3.4Å; Q183-G198 VanDerWaalsContact CA-O 3.26Å; Q183-G198 WeakPolarHBondContact CA-O 3.45Å; Q183-G198 VanDerWaalsContact CB-O 3.28Å; Q183-G198 WeakPolarHBondContact CB-O 3.31Å; Q183-G198 WeakPolarHBondContact CG-O 3.38Å; Q183-L200 HydrophobicContact CG-CD1 4.42Å; Q183-L200 HydrophobicContact CG-CG 4.41Å
184W96.7Very high96.7Very high81 Ų8165 Ų6531%0.30731%0.308SS..SBendtrans-120.1135.2-177-65.694.3000111.4I159 T162 E186 L187 K188 L199I159-W184 PolarHBondContact O-NE1 3.07Å; T162-W184 HydrophobicContact CG2-CD2 3.77Å; T162-W184 VanDerWaalsContact CG2-CE2 3.42Å; T162-W184 HydrophobicContact CG2-CE3 4.33Å; T162-W184 HydrophobicContact CG2-CG 4.15Å; T162-W184 HydrophobicContact CG2-CH2 4.3Å; T162-W184 HydrophobicContact CG2-CZ2 3.72Å; W184-E186 VanDerWaalsContact C-N 3.28Å; W184-E186 PolarHBondContact O-N 3.37Å; W184-L187 HydrophobicContact CB-CG 4.37Å; W184-L187 WeakPolarHBondContact O-CB 3.37Å; W184-L187 PolarHBondContact O-N 3.16Å; W184-K188 PolarHBondContact O-N 3.42Å; W184-L199 HydrophobicContact CZ2-CD2 4.35Å
185P96.6Very high96.7Very high58 Ų5860.9 Ų60.938%0.37730%0.296SS..Hα-helixtrans-63.4-33.6-178.225-33000112.3L187 K188 T189 Y196P185-L187 PolarHBondContact O-N 2.9Å; P185-K188 WeakPolarHBondContact O-CB 3.48Å; P185-K188 PolarHBondContact O-N 3.24Å; P185-T189 PolarHBondContact O-N 3.08Å; P185-T189 PolarHBondContact O-OG1 3.34Å; P185-Y196 HydrophobicContact CB-CE2 4.4Å
186E96.4Very high96.8Very high106 Ų10663.5 Ų63.550%0.49530%0.301SS..Hα-helixtrans-60.5-36.2177.7-61.782.7176.200112W184 T189 K190W184-E186 VanDerWaalsContact C-N 3.28Å; W184-E186 PolarHBondContact O-N 3.37Å; E186-T189 PolarHBondContact O-N 3.16Å; E186-K190 WeakPolarHBondContact O-CB 3.19Å; E186-K190 PolarHBondContact O-N 3.36Å; E186-K190 VanDerWaalsContact O-N 3.08Å
187L96.9Very high96.7Very high0 Ų058.5 Ų58.50%029%0.289CS..Hα-helixtrans-67-40.4174.3-71.4-176.9000111.6E157 R161 T164 L165 V182 W184 P185 T189 K190 Y191E157-L187 HydrophobicContact CG-CD1 4.22Å; R161-L187 WeakPolarHBondContact O-CD1 3.43Å; T164-L187 VanDerWaalsContact C-CD2 3.44Å; T164-L187 VanDerWaalsContact CA-CD2 3.49Å; L165-L187 HydrophobicContact CD2-CD1 4.2Å; L165-L187 HydrophobicContact CD2-CD2 4.49Å; V182-L187 HydrophobicContact CB-CB 3.83Å; V182-L187 HydrophobicContact CB-CD1 3.92Å; V182-L187 HydrophobicContact CG1-CB 3.9Å; V182-L187 HydrophobicContact CG1-CD1 3.88Å; V182-L187 HydrophobicContact CG2-CB 4.07Å; W184-L187 HydrophobicContact CB-CG 4.37Å; W184-L187 WeakPolarHBondContact O-CB 3.37Å; W184-L187 PolarHBondContact O-N 3.16Å; P185-L187 PolarHBondContact O-N 2.9Å; L187-T189 VanDerWaalsContact C-N 3.32Å; L187-T189 PolarHBondContact O-N 3.39Å; L187-K190 PolarHBondContact O-N 2.68Å; L187-Y191 HydrophobicContact CD2-CD2 4.18Å; L187-Y191 HydrophobicContact CD2-CE2 4.01Å; L187-Y191 WeakPolarHBondContact O-CA 3.37Å; L187-Y191 WeakPolarHBondContact O-CB 3.46Å; L187-Y191 WeakPolarHBondContact O-CD2 3.33Å; L187-Y191 PolarHBondContact O-N 3.23Å
188K97.2Very high96.6Very high78 Ų7855.6 Ų55.634%0.33928%0.276SS..Hα-helixtrans-63.1-40.9177.3176.457.6176177.50111.5V182 W184 P185 K190 Y191 P192 S194V182-K188 HydrophobicContact CG2-CB 4.14Å; W184-K188 PolarHBondContact O-N 3.42Å; P185-K188 WeakPolarHBondContact O-CB 3.48Å; P185-K188 PolarHBondContact O-N 3.24Å; K188-K190 VanDerWaalsContact C-N 3.35Å; K188-K190 PolarHBondContact O-N 2.98Å; K188-Y191 CarbonylContact O-C 3.47Å; K188-Y191 VanDerWaalsContact O-C 3.31Å; K188-Y191 PolarHBondContact O-N 2.98Å; K188-P192 PolarHBondContact NZ-O 2.82Å; K188-P192 WeakPolarHBondContact O-CA 3.35Å; K188-S194 VanDerWaalsContact CD-O 3.27Å; K188-S194 WeakPolarHBondContact CD-O 3.42Å; K188-S194 WeakPolarHBondContact CE-O 3.46Å; K188-S194 PolarHBondContact NZ-O 2.98Å
189T96.9Very high96.4Very high121 Ų12160.4 Ų60.474%0.74230%0.301SS*.Hα-helixtrans-61-43.8174.6-56.40000111.5P185 E186 L187P185-T189 PolarHBondContact O-N 3.08Å; P185-T189 PolarHBondContact O-OG1 3.34Å; E186-T189 PolarHBondContact O-N 3.16Å; L187-T189 VanDerWaalsContact C-N 3.32Å; L187-T189 PolarHBondContact O-N 3.39Å
190K97Very high96Very high126 Ų12660 Ų6055%0.54830%0.298SS..Hα-helixtrans-76.7-29.5-178.8-171.1166.8-176162.90113.9E186 L187 K188E186-K190 WeakPolarHBondContact O-CB 3.19Å; E186-K190 PolarHBondContact O-N 3.36Å; E186-K190 VanDerWaalsContact O-N 3.08Å; L187-K190 PolarHBondContact O-N 2.68Å; K188-K190 VanDerWaalsContact C-N 3.35Å; K188-K190 PolarHBondContact O-N 2.98Å
191Y97.3Very high94.9Very high13 Ų1364 Ų645%0.05133%0.327CS..SBendtrans-125.974.5-176.3-59-82.3000109.2L165 Y173 L187 K188 R193 S194L165-Y191 HydrophobicContact CB-CE2 4.22Å; L165-Y191 HydrophobicContact CD1-CD1 3.62Å; L165-Y191 HydrophobicContact CD1-CD2 3.93Å; L165-Y191 HydrophobicContact CD1-CE1 3.76Å; L165-Y191 HydrophobicContact CD1-CE2 4.09Å; L165-Y191 HydrophobicContact CD1-CG 3.71Å; L165-Y191 HydrophobicContact CG-CD1 4.27Å; L165-Y191 HydrophobicContact CG-CD2 3.73Å; L165-Y191 HydrophobicContact CG-CE1 4.17Å; L165-Y191 HydrophobicContact CG-CE2 3.64Å; L165-Y191 HydrophobicContact CG-CG 4.06Å; Y173-Y191 HydrophobicContact CD1-CD1 4.03Å; Y173-Y191 AromaticContact CE1-CD1 3.81Å; Y173-Y191 HydrophobicContact CE1-CD1 3.81Å; Y173-Y191 HydrophobicContact CG-CD1 4.47Å; Y173-Y191 VanDerWaalsContact OH-C 3.32Å; Y173-Y191 WeakPolarHBondContact OH-CA 3.49Å; L187-Y191 HydrophobicContact CD2-CD2 4.18Å; L187-Y191 HydrophobicContact CD2-CE2 4.01Å; L187-Y191 WeakPolarHBondContact O-CA 3.37Å; L187-Y191 WeakPolarHBondContact O-CB 3.46Å; L187-Y191 WeakPolarHBondContact O-CD2 3.33Å; L187-Y191 PolarHBondContact O-N 3.23Å; K188-Y191 CarbonylContact O-C 3.47Å; K188-Y191 VanDerWaalsContact O-C 3.31Å; K188-Y191 PolarHBondContact O-N 2.98Å; Y191-R193 PolarHBondContact O-N 3.09Å; Y191-S194 WeakPolarHBondContact O-CB 3.12Å; Y191-S194 PolarHBondContact O-N 2.9Å; Y191-S194 PolarHBondContact O-OG 2.95Å
192P97Very high94.8Very high87 Ų8766.3 Ų66.357%0.56534%0.338SS*.THydrogen-bonded Turntrans-61.1-19.9-166.921.1-33.7000115.2K188 S194K188-P192 PolarHBondContact NZ-O 2.82Å; K188-P192 WeakPolarHBondContact O-CA 3.35Å; P192-S194 VanDerWaalsContact C-N 3.33Å
193R96.6Very high94.6Very high107 Ų10769.8 Ų69.840%0.40436%0.356SS..THydrogen-bonded Turntrans-80.7-9.6174.6-62.5-176.3-66.3116.9-0.9114Y173 Y191Y173-R193 VanDerWaalsContact CD1-NH2 3.26Å; Y173-R193 HydrophobicContact CE2-CB 3.7Å; Y173-R193 PolarHBondContact O-NH1 2.81Å; Y173-R193 PolarHBondContact O-NH2 3.26Å; Y173-R193 PolarHBondContact OH-N 3.02Å; Y191-R193 PolarHBondContact O-N 3.09Å
194S97Very high94.5Very high1 Ų173.5 Ų73.51%0.00738%0.375CS..SBendtrans-70.3160.3175.870.70000110.8V180 V182 K188 Y191 P192V180-S194 CarbonylContact O-C 3.57Å; V180-S194 WeakPolarHBondContact O-CA 3.28Å; V180-S194 VanDerWaalsContact O-CB 3.24Å; V180-S194 WeakPolarHBondContact O-CB 3.26Å; V182-S194 VanDerWaalsContact CG2-OG 3.27Å; V182-S194 WeakPolarHBondContact CG2-OG 3.38Å; K188-S194 VanDerWaalsContact CD-O 3.27Å; K188-S194 WeakPolarHBondContact CD-O 3.42Å; K188-S194 WeakPolarHBondContact CE-O 3.46Å; K188-S194 PolarHBondContact NZ-O 2.98Å; Y191-S194 WeakPolarHBondContact O-CB 3.12Å; Y191-S194 PolarHBondContact O-N 2.9Å; Y191-S194 PolarHBondContact O-OG 2.95Å; P192-S194 VanDerWaalsContact C-N 3.33Å
195I97.1Very high94.4Very high69 Ų6973.1 Ų73.135%0.35438%0.379SS..EExtended strand (participates in β ladder)trans-103.3122.1175.3-57.4170.9000107.1D179 V180 I181 V182 L197D179-I195 HydrophobicContact CB-CD1 4.24Å; V180-I195 PolarHBondContact O-N 2.89Å; I181-I195 CarbonylContact C-O 3.44Å; I181-I195 VanDerWaalsContact CA-O 3.29Å; I181-I195 WeakPolarHBondContact CA-O 3.43Å; I181-I195 HydrophobicContact CG1-CB 4.29Å; V182-I195 PolarHBondContact N-O 3.17Å; I195-L197 HydrophobicContact CG2-CD2 3.97Å; I195-L197 HydrophobicContact CG2-CG 4.08Å
196Y96.9Very high94.3Very high106 Ų10674 Ų7442%0.41638%0.379SS..EExtended strand (participates in β ladder)trans-93.4123.6176.5173.1-111.6000109.8V182 Q183 P185V182-Y196 HydrophobicContact CG2-CD2 4.44Å; V182-Y196 WeakPolarHBondContact O-CA 3.44Å; Q183-Y196 WeakPolarHBondContact O-CE2 3.4Å; P185-Y196 HydrophobicContact CB-CE2 4.4Å
197L94.2Very high94.1Very high95 Ų9571.9 Ų71.950%0.49737%0.372SS..  trans-122.44.4178.8-62.8-178000113.7I181 V182 I195 L200I181-L197 HydrophobicContact CD1-CD1 3.86Å; I181-L197 HydrophobicContact CG1-CD1 4.35Å; I181-L197 HydrophobicContact CG2-CB 4.28Å; I181-L197 HydrophobicContact CG2-CD1 3.82Å; I181-L197 HydrophobicContact CG2-CG 4.04Å; V182-L197 PolarHBondContact O-N 3.2Å; I195-L197 HydrophobicContact CG2-CD2 3.97Å; I195-L197 HydrophobicContact CG2-CG 4.08Å; L197-L200 HydrophobicContact CB-CD1 4.46Å; L197-L200 HydrophobicContact CB-CD2 3.9Å; L197-L200 HydrophobicContact CB-CG 4.45Å; L197-L200 HydrophobicContact CD1-CD1 4.48Å; L197-L200 HydrophobicContact CD1-CD2 4.43Å
198G93.5Very high93.9Very high11 Ų1177 Ų7711%0.11340%0.398CS..  trans71.9-160.6-172.100000112.8Q183 L200Q183-G198 VanDerWaalsContact CA-O 3.26Å; Q183-G198 WeakPolarHBondContact CA-O 3.45Å; Q183-G198 VanDerWaalsContact CB-O 3.28Å; Q183-G198 WeakPolarHBondContact CB-O 3.31Å; Q183-G198 WeakPolarHBondContact CG-O 3.38Å; G198-L200 PolarHBondContact O-N 3.46Å
199L92.5Very high93.7Very high112 Ų11276.9 Ų76.959%0.58640%0.403SS*.  trans-72.9123.4179.3-64176.6000110.3I159 W184I159-L199 HydrophobicContact CD1-CD2 3.76Å; I159-L199 HydrophobicContact CG1-CD2 3.84Å; W184-L199 HydrophobicContact CZ2-CD2 4.35Å
200L87.1Confident93.4Very high63 Ų6373.3 Ų73.333%0.3337%0.374SS..  trans-103.8-11-178.3-62.8175.6000113Y47 V156 I181 Q183 L197 G198Y47-L200 HydrophobicContact CD1-CB 4.25Å; Y47-L200 HydrophobicContact CE1-CB 3.4Å; Y47-L200 VanDerWaalsContact CE1-CB 3.4Å; Y47-L200 WeakPolarHBondContact CE1-O 3.3Å; V156-L200 HydrophobicContact CG1-CD1 3.81Å; I181-L200 HydrophobicContact CG2-CD1 3.84Å; Q183-L200 HydrophobicContact CG-CD1 4.42Å; Q183-L200 HydrophobicContact CG-CG 4.41Å; L197-L200 HydrophobicContact CB-CD1 4.46Å; L197-L200 HydrophobicContact CB-CD2 3.9Å; L197-L200 HydrophobicContact CB-CG 4.45Å; L197-L200 HydrophobicContact CD1-CD1 4.48Å; L197-L200 HydrophobicContact CD1-CD2 4.43Å; G198-L200 PolarHBondContact O-N 3.46Å
201S74.6Confident93.1Very high89 Ų8968.5 Ų68.562%0.62236%0.359SS*.  trans-1400-173.350.70000110.8

Retrieved 201 of 201 residues in 125.6 ms (Link to these results)

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