A0A077ZGB4_TRITR Loading...

Aspartokinase

AlphaFold DB , UniProt , Accession A0A077ZGB4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 363 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
1M42.3Very low65.7Low219 Ų219103.5 Ų103.5100%1.07954%0.535SS*.  0117.20-74.5175.2-154.900106.3T3M1-T3 HydrophobicContact CB-CG2 4.36Å; M1-T3 PolarHBondContact O-N 2.99Å
2I49.6Very low67.4Low116 Ų116104.9 Ų104.960%0.59554%0.538SS*.  trans-73.392.2160.9-62.8159.3000103.3L39 A42I2-L39 HydrophobicContact CD1-CD1 3.48Å; I2-L39 VanDerWaalsContact CD1-CD1 3.48Å; I2-L39 HydrophobicContact CG1-CD1 4.29Å; I2-A42 HydrophobicContact CG1-CB 4.38Å
3T52.1Low68.9Low74 Ų74100.3 Ų100.345%0.45451%0.514SS..  trans-58.7149.3177.428.80000108.7M1 L5 P6M1-T3 HydrophobicContact CB-CG2 4.36Å; M1-T3 PolarHBondContact O-N 2.99Å; T3-L5 PolarHBondContact O-N 2.77Å; T3-L5 WeakPolarHBondContact OG1-CD1 3.3Å; T3-P6 WeakPolarHBondContact O-CD 3.12Å
4L54.4Low70.1Confident141 Ų141103.3 Ų103.374%0.73853%0.525SS*.SBendtrans-60.511.1177.4-71159.7000114.4P6 I7L4-P6 VanDerWaalsContact C-N 3.32Å; L4-I7 HydrophobicContact CD2-CD1 4Å; L4-I7 PolarHBondContact O-N 3.17Å
5L57.4Low71.4Confident115 Ų115106.9 Ų106.960%0.60254%0.539SS*.Hα-helixtrans-47.3-44.2177.5-76.9165.2000113.3T3 I7 A8 E9T3-L5 PolarHBondContact O-N 2.77Å; T3-L5 WeakPolarHBondContact OG1-CD1 3.3Å; L5-I7 PolarHBondContact O-N 3.17Å; L5-A8 PolarHBondContact O-N 3.49Å; L5-E9 PolarHBondContact O-N 3.18Å
6P67.1Low72.4Confident37 Ų37107.1 Ų107.124%0.2454%0.542CS..Hα-helixtrans-58.3-34.5-178.1-2937.9000114.2T3 L4 L10 L35T3-P6 WeakPolarHBondContact O-CD 3.12Å; L4-P6 VanDerWaalsContact C-N 3.32Å; P6-L10 WeakPolarHBondContact O-CG 3.48Å; P6-L10 PolarHBondContact O-N 3.06Å; P6-L35 HydrophobicContact CB-CD1 4.04Å; P6-L35 HydrophobicContact CB-CD2 3.71Å; P6-L35 HydrophobicContact CB-CG 4.34Å; P6-L35 HydrophobicContact CG-CD2 4.23Å
7I72.3Confident73.4Confident84 Ų84105.7 Ų105.743%0.43153%0.532SS..Hα-helixtrans-76.1-34.7-176.1-62.6177.6000110.9L4 L5 R11L4-I7 HydrophobicContact CD2-CD1 4Å; L4-I7 PolarHBondContact O-N 3.17Å; L5-I7 PolarHBondContact O-N 3.17Å; I7-R11 WeakPolarHBondContact O-CG 3.2Å; I7-R11 PolarHBondContact O-N 3.3Å
8A78.9Confident74.3Confident58 Ų58104.9 Ų104.948%0.47953%0.529SS..Hα-helixtrans-67.4-42.5178.400000111.3L5 R11 Q12L5-A8 PolarHBondContact O-N 3.49Å; A8-R11 PolarHBondContact O-N 3.15Å; A8-Q12 WeakPolarHBondContact O-CB 3.34Å; A8-Q12 PolarHBondContact O-N 3.03Å
9E80.6Confident75.1Confident70 Ų70108.8 Ų108.833%0.32755%0.546SS..Hα-helixtrans-60.2-46.8176.4-171.3177.7163.700111.6L5 R11 Q12 L13 N34L5-E9 PolarHBondContact O-N 3.18Å; E9-R11 PolarHBondContact O-N 3.31Å; E9-Q12 PolarHBondContact O-N 3.41Å; E9-L13 WeakPolarHBondContact O-CG 3.33Å; E9-L13 PolarHBondContact O-N 3.31Å; E9-N34 PolarHBondContact OE1-ND2 2.85Å
10L82.8Confident76Confident66 Ų66107.6 Ų107.635%0.34655%0.553SS.*Hα-helixtrans-62.7-41.7176.6-73.7170000113.1P6 Q12 L13 Q14 S31 L35P6-L10 WeakPolarHBondContact O-CG 3.48Å; P6-L10 PolarHBondContact O-N 3.06Å; L10-Q12 VanDerWaalsContact C-N 3.31Å; L10-Q12 PolarHBondContact O-N 3.02Å; L10-L13 PolarHBondContact O-N 3.35Å; L10-Q14 PolarHBondContact O-N 2.81Å; L10-S31 VanDerWaalsContact CD2-OG 3.32Å; L10-S31 WeakPolarHBondContact CD2-OG 3.43Å; L10-L35 HydrophobicContact CD1-CD1 3.65Å; L10-L35 HydrophobicContact CD2-CD1 3.99Å; L10-L35 HydrophobicContact CG-CD1 3.62Å
11R85.5Confident76.8Confident158 Ų158105.5 Ų105.560%0.59654%0.543SS*.Hα-helixtrans-62.4-42.3175.9-76.4179.3-176.2-174.91.3111.2I7 A8 E9 L13 Q14 E15I7-R11 WeakPolarHBondContact O-CG 3.2Å; I7-R11 PolarHBondContact O-N 3.3Å; A8-R11 PolarHBondContact O-N 3.15Å; E9-R11 PolarHBondContact O-N 3.31Å; R11-L13 VanDerWaalsContact C-N 3.34Å; R11-L13 PolarHBondContact O-N 2.95Å; R11-Q14 PolarHBondContact O-N 2.96Å; R11-E15 WeakPolarHBondContact O-CB 3.43Å; R11-E15 WeakPolarHBondContact O-CG 3.28Å; R11-E15 PolarHBondContact O-N 2.9Å
12Q86.1Confident79.2Confident121 Ų12199.1 Ų99.157%0.56552%0.518SS*.Hα-helixtrans-64.4-39.3177.9-172177.2300111.7A8 E9 L10 Q14 E15 N16A8-Q12 WeakPolarHBondContact O-CB 3.34Å; A8-Q12 PolarHBondContact O-N 3.03Å; E9-Q12 PolarHBondContact O-N 3.41Å; L10-Q12 VanDerWaalsContact C-N 3.31Å; L10-Q12 PolarHBondContact O-N 3.02Å; Q12-Q14 VanDerWaalsContact C-N 3.34Å; Q12-E15 PolarHBondContact O-N 3.29Å; Q12-N16 WeakPolarHBondContact CG-ND2 3.28Å; Q12-N16 WeakPolarHBondContact O-CB 3.48Å; Q12-N16 PolarHBondContact O-N 2.87Å; Q12-N16 PolarHBondContact O-ND2 3.06Å
13L86.1Confident81.4Confident45 Ų4594.7 Ų94.724%0.23649%0.494CS..Hα-helixtrans-63-40.6173.6-74.1170.8000111.9E9 L10 R11 F17E9-L13 WeakPolarHBondContact O-CG 3.33Å; E9-L13 PolarHBondContact O-N 3.31Å; L10-L13 PolarHBondContact O-N 3.35Å; R11-L13 VanDerWaalsContact C-N 3.34Å; R11-L13 PolarHBondContact O-N 2.95Å; L13-F17 WeakPolarHBondContact O-CB 3.42Å; L13-F17 PolarHBondContact O-N 3.15Å; L13-F17 VanDerWaalsContact O-N 3.12Å
14Q86.3Confident83.4Confident142 Ų14291.7 Ų91.766%0.66448%0.476SS*.Hα-helixtrans-67.7-43.4176.8-174.4-178.96.300112.5L10 R11 Q12 N16 F17L10-Q14 PolarHBondContact O-N 2.81Å; R11-Q14 PolarHBondContact O-N 2.96Å; Q12-Q14 VanDerWaalsContact C-N 3.34Å; Q14-N16 VanDerWaalsContact C-N 3.33Å; Q14-F17 PolarHBondContact O-N 3.38Å
15E89.6Confident85.2Confident157 Ų15788.2 Ų88.273%0.73446%0.458SS*.Hα-helixtrans-69.3-30.2-178.9-74173.3-177.700112.8R11 Q12R11-E15 WeakPolarHBondContact O-CB 3.43Å; R11-E15 WeakPolarHBondContact O-CG 3.28Å; R11-E15 PolarHBondContact O-N 2.9Å; Q12-E15 PolarHBondContact O-N 3.29Å
16N86.8Confident87Confident110 Ų11082.7 Ų82.759%0.58843%0.43SS*.THydrogen-bonded Turntrans-102.611.9179.6-59.7-60.7000113.3Q12 Q14 D18Q12-N16 WeakPolarHBondContact CG-ND2 3.28Å; Q12-N16 WeakPolarHBondContact O-CB 3.48Å; Q12-N16 PolarHBondContact O-N 2.87Å; Q12-N16 PolarHBondContact O-ND2 3.06Å; Q14-N16 VanDerWaalsContact C-N 3.33Å; N16-D18 PolarHBondContact O-N 3.46Å
17F89.3Confident88.3Confident84 Ų8482.3 Ų82.337%0.36843%0.428SS..  trans-67.7116179.3-169.2-91.9000110.1L13 Q14 E19 A24 F28L13-F17 WeakPolarHBondContact O-CB 3.42Å; L13-F17 PolarHBondContact O-N 3.15Å; L13-F17 VanDerWaalsContact O-N 3.12Å; Q14-F17 PolarHBondContact O-N 3.38Å; F17-E19 HydrophobicContact CD1-CG 4.38Å; F17-E19 HydrophobicContact CE1-CG 3.79Å; F17-A24 HydrophobicContact CD2-CB 4Å; F17-A24 HydrophobicContact CE2-CB 3.88Å; F17-A24 HydrophobicContact CZ-CB 4.35Å; F17-F28 HydrophobicContact CD2-CB 4.48Å; F17-F28 HydrophobicContact CE2-CB 4.25Å
18D90.6Very high89.2Confident91 Ų9182.8 Ų82.849%0.48743%0.427SS..  trans-116.3115176-174.9-1000109.3N16 A20 D21 A24N16-D18 PolarHBondContact O-N 3.46Å; D18-A20 PolarHBondContact O-N 3.4Å; D18-A20 WeakPolarHBondContact OD1-CB 3.48Å; D18-A20 PolarHBondContact OD1-N 3.03Å; D18-D21 HydrophobicContact CB-CB 4.22Å; D18-D21 PolarHBondContact O-N 3.25Å; D18-A24 VanDerWaalsContact O-CB 3.25Å; D18-A24 WeakPolarHBondContact O-CB 3.42Å
19E89.1Confident89.8Confident180 Ų18083.5 Ų83.584%0.84142%0.422SS*.THydrogen-bonded Turntrans-61.9-20.2176.9-73.3-178.8-169.500113F17F17-E19 HydrophobicContact CD1-CG 4.38Å; F17-E19 HydrophobicContact CE1-CG 3.79Å
20A92.8Very high90.5Very high84 Ų8480.2 Ų80.269%0.69441%0.407SS*.THydrogen-bonded Turntrans-80.3-17.8175.500000113.2D18 P22D18-A20 PolarHBondContact O-N 3.4Å; D18-A20 WeakPolarHBondContact OD1-CB 3.48Å; D18-A20 PolarHBondContact OD1-N 3.03Å; A20-P22 WeakPolarHBondContact O-CD 3.47Å
21D93.3Very high90.9Very high64 Ų6477.6 Ų77.634%0.34239%0.394SS..SBendtrans-82.5113.8174177.24.5000109.7D18 Y23 A24D18-D21 HydrophobicContact CB-CB 4.22Å; D18-D21 PolarHBondContact O-N 3.25Å; D21-Y23 PolarHBondContact O-N 2.78Å; D21-Y23 VanDerWaalsContact OD1-CD2 3.25Å; D21-Y23 WeakPolarHBondContact OD1-CD2 3.48Å; D21-Y23 PolarHBondContact OD1-N 3.29Å; D21-A24 HydrophobicContact CB-CB 4.08Å; D21-A24 WeakPolarHBondContact O-CB 3.38Å; D21-A24 PolarHBondContact O-N 3.33Å; D21-A24 VanDerWaalsContact O-N 3.11Å
22P93.5Very high91.3Very high84 Ų8472.2 Ų72.255%0.54539%0.388SS..THydrogen-bonded Turntrans-62.2-15.3-178.627.8-36.1000114A20 P67A20-P22 WeakPolarHBondContact O-CD 3.47Å; P22-P67 HydrophobicContact CB-CG 4.32Å; P22-P67 WeakPolarHBondContact O-CB 3.32Å
23Y94.5Very high91.6Very high23 Ų2369.7 Ų69.79%0.0938%0.376CS..THydrogen-bonded Turntrans-100-6.3178.8-49.2-76.3000114.4D21 L25 D26 S27 N65 P67 T99 H103 C105D21-Y23 PolarHBondContact O-N 2.78Å; D21-Y23 VanDerWaalsContact OD1-CD2 3.25Å; D21-Y23 WeakPolarHBondContact OD1-CD2 3.48Å; D21-Y23 PolarHBondContact OD1-N 3.29Å; Y23-L25 VanDerWaalsContact C-N 3.31Å; Y23-L25 PolarHBondContact O-N 2.96Å; Y23-D26 PolarHBondContact O-N 3.26Å; Y23-S27 PolarHBondContact O-N 3.34Å; Y23-S27 PolarHBondContact O-OG 3.5Å; Y23-N65 VanDerWaalsContact CE1-OD1 3.31Å; Y23-N65 WeakPolarHBondContact CE1-OD1 3.45Å; Y23-N65 VanDerWaalsContact CZ-OD1 3.3Å; Y23-N65 PolarHBondContact OH-ND2 2.7Å; Y23-N65 PolarHBondContact OH-OD1 3.27Å; Y23-P67 HydrophobicContact CD1-CG 3.81Å; Y23-P67 HydrophobicContact CE1-CG 3.74Å; Y23-T99 HydrophobicContact CE1-CG2 4.44Å; Y23-H103 HydrophobicContact CD1-CB 3.76Å; Y23-H103 HydrophobicContact CD2-CB 3.91Å; Y23-H103 AromaticContact CD2-CE1 3.98Å; Y23-H103 AromaticContact CD2-CG 3.62Å; Y23-H103 AromaticContact CD2-ND1 3.41Å; Y23-H103 WeakPolarHBondContact CD2-ND1 3.31Å; Y23-H103 HydrophobicContact CE1-CB 3.82Å; Y23-H103 HydrophobicContact CE2-CB 3.97Å; Y23-H103 AromaticContact CE2-CD2 3.73Å; Y23-H103 AromaticContact CE2-CE1 3.9Å; Y23-H103 AromaticContact CE2-CG 3.51Å; Y23-H103 AromaticContact CE2-ND1 3.62Å; Y23-H103 AromaticContact CE2-NE2 4Å; Y23-H103 HydrophobicContact CG-CB 3.81Å; Y23-H103 AromaticContact CZ-CD2 3.99Å; Y23-H103 AromaticContact CZ-CG 3.85Å; Y23-C105 WeakPolarHBondContact CD1-SG 3.45Å; Y23-C105 WeakPolarHBondContact CE1-SG 3.28Å
24A93.4Very high92Very high11 Ų1168.1 Ų68.19%0.09137%0.368CS..Hα-helixtrans-61.1-42.5-176.900000111.5F17 D18 D21 S27 F28F17-A24 HydrophobicContact CD2-CB 4Å; F17-A24 HydrophobicContact CE2-CB 3.88Å; F17-A24 HydrophobicContact CZ-CB 4.35Å; D18-A24 VanDerWaalsContact O-CB 3.25Å; D18-A24 WeakPolarHBondContact O-CB 3.42Å; D21-A24 HydrophobicContact CB-CB 4.08Å; D21-A24 WeakPolarHBondContact O-CB 3.38Å; D21-A24 PolarHBondContact O-N 3.33Å; D21-A24 VanDerWaalsContact O-N 3.11Å; A24-S27 PolarHBondContact O-N 3Å; A24-F28 PolarHBondContact O-N 3.03Å
25L93.2Very high92.4Very high68 Ų6862.4 Ų62.436%0.35634%0.342SS..Hα-helixtrans-65.1-44177.5-177.358.8000112.1Y23 S27 F28 L29Y23-L25 VanDerWaalsContact C-N 3.31Å; Y23-L25 PolarHBondContact O-N 2.96Å; L25-S27 VanDerWaalsContact C-N 3.33Å; L25-S27 PolarHBondContact O-N 3.49Å; L25-F28 WeakPolarHBondContact O-CB 3.26Å; L25-F28 PolarHBondContact O-N 3.49Å; L25-L29 HydrophobicContact CD1-CD1 4.22Å; L25-L29 HydrophobicContact CD1-CG 4.08Å; L25-L29 HydrophobicContact CG-CD1 3.94Å; L25-L29 HydrophobicContact CG-CG 4.26Å; L25-L29 WeakPolarHBondContact O-CB 3.32Å; L25-L29 VanDerWaalsContact O-CG 3.3Å; L25-L29 WeakPolarHBondContact O-CG 3.46Å; L25-L29 PolarHBondContact O-N 3.22Å
26D95Very high92.5Very high0 Ų059.2 Ų59.20%033%0.33CS..Hα-helixtrans-60.2-44.7177.3-85.62.8000111.8Y23 F28 L29 A30 P67 Q68 L104 C105 T106Y23-D26 PolarHBondContact O-N 3.26Å; D26-F28 VanDerWaalsContact C-N 3.29Å; D26-F28 PolarHBondContact O-N 3.49Å; D26-L29 PolarHBondContact O-N 2.8Å; D26-A30 VanDerWaalsContact O-CB 3.27Å; D26-A30 WeakPolarHBondContact O-CB 3.39Å; D26-A30 PolarHBondContact O-N 2.85Å; D26-P67 WeakPolarHBondContact OD2-CA 3.4Å; D26-P67 WeakPolarHBondContact OD2-CB 3.4Å; D26-Q68 WeakPolarHBondContact OD1-CG 3.28Å; D26-Q68 PolarHBondContact OD1-N 2.96Å; D26-Q68 PolarHBondContact OD2-N 3.47Å; D26-L104 HydrophobicContact CB-CD2 4.04Å; D26-L104 WeakPolarHBondContact O-CD2 3.21Å; D26-C105 VanDerWaalsContact OD2-CA 3.25Å; D26-C105 WeakPolarHBondContact OD2-CA 3.16Å; D26-T106 HydrophobicContact CB-CG2 3.87Å; D26-T106 VanDerWaalsContact CG-N 3.34Å; D26-T106 WeakPolarHBondContact O-CG2 3.4Å; D26-T106 PolarHBondContact OD1-OG1 3.01Å; D26-T106 PolarHBondContact OD2-N 3.42Å; D26-T106 PolarHBondContact OD2-OG1 3.13Å
27S93.7Very high93Very high29 Ų2954.3 Ų54.320%0.20330%0.304CS..Hα-helixtrans-61.1-39.7176.6-59.50000111.7Y23 A24 L25 S31Y23-S27 PolarHBondContact O-N 3.34Å; Y23-S27 PolarHBondContact O-OG 3.5Å; A24-S27 PolarHBondContact O-N 3Å; L25-S27 VanDerWaalsContact C-N 3.33Å; L25-S27 PolarHBondContact O-N 3.49Å; S27-S31 PolarHBondContact O-N 2.91Å
28F92Very high93.2Very high93 Ų9353 Ų5341%0.40830%0.3SS..Hα-helixtrans-67.4-47.5175.7-169.5-94000112F17 A24 L25 D26 S31F17-F28 HydrophobicContact CD2-CB 4.48Å; F17-F28 HydrophobicContact CE2-CB 4.25Å; A24-F28 PolarHBondContact O-N 3.03Å; L25-F28 WeakPolarHBondContact O-CB 3.26Å; L25-F28 PolarHBondContact O-N 3.49Å; D26-F28 VanDerWaalsContact C-N 3.29Å; D26-F28 PolarHBondContact O-N 3.49Å; F28-S31 WeakPolarHBondContact O-CB 3.21Å; F28-S31 PolarHBondContact O-N 2.86Å; F28-S31 PolarHBondContact O-OG 2.99Å
29L92.4Very high93.4Very high74 Ų7452.4 Ų52.439%0.38730%0.296SS..Hα-helixtrans-62.9-44.7-179.5-72.2175.4000112.5L25 D26 S31 F95 T106L25-L29 HydrophobicContact CD1-CD1 4.22Å; L25-L29 HydrophobicContact CD1-CG 4.08Å; L25-L29 HydrophobicContact CG-CD1 3.94Å; L25-L29 HydrophobicContact CG-CG 4.26Å; L25-L29 WeakPolarHBondContact O-CB 3.32Å; L25-L29 VanDerWaalsContact O-CG 3.3Å; L25-L29 WeakPolarHBondContact O-CG 3.46Å; L25-L29 PolarHBondContact O-N 3.22Å; D26-L29 PolarHBondContact O-N 2.8Å; L29-S31 PolarHBondContact O-N 2.95Å; L29-F95 HydrophobicContact CB-CE1 3.98Å; L29-F95 HydrophobicContact CB-CZ 4.5Å; L29-T106 HydrophobicContact CB-CG2 4.38Å
30A94.1Very high93.7Very high0 Ų046 Ų460%027%0.269CS..Hα-helixtrans-68.2-21.4-179.600000114.1D26 G32 E33 N34 F96 L104 T106D26-A30 VanDerWaalsContact O-CB 3.27Å; D26-A30 WeakPolarHBondContact O-CB 3.39Å; D26-A30 PolarHBondContact O-N 2.85Å; A30-G32 PolarHBondContact O-N 3.09Å; A30-E33 PolarHBondContact O-N 3.03Å; A30-N34 WeakPolarHBondContact O-CB 3.36Å; A30-N34 PolarHBondContact O-N 2.97Å; A30-F96 HydrophobicContact CB-CB 3.92Å; A30-F96 HydrophobicContact CB-CD1 3.49Å; A30-F96 VanDerWaalsContact CB-CD1 3.49Å; A30-F96 HydrophobicContact CB-CD2 4.33Å; A30-F96 HydrophobicContact CB-CE1 4.01Å; A30-F96 HydrophobicContact CB-CG 3.67Å; A30-L104 HydrophobicContact CB-CD1 3.94Å; A30-L104 HydrophobicContact CB-CD2 3.66Å; A30-L104 HydrophobicContact CB-CG 4.38Å; A30-T106 HydrophobicContact CB-CG2 4.16Å
31S92.5Very high93.9Very high12 Ų1242.1 Ų42.18%0.08424%0.237CC..Hα-helixtrans-57.9-35.7-177.271.60000112.8L10 S27 F28 L29 N34 L35L10-S31 VanDerWaalsContact CD2-OG 3.32Å; L10-S31 WeakPolarHBondContact CD2-OG 3.43Å; S27-S31 PolarHBondContact O-N 2.91Å; F28-S31 WeakPolarHBondContact O-CB 3.21Å; F28-S31 PolarHBondContact O-N 2.86Å; F28-S31 PolarHBondContact O-OG 2.99Å; L29-S31 PolarHBondContact O-N 2.95Å; S31-N34 PolarHBondContact O-N 3.5Å; S31-L35 WeakPolarHBondContact O-CB 3.39Å; S31-L35 WeakPolarHBondContact O-CG 3.38Å; S31-L35 PolarHBondContact O-N 2.87Å
32G91.9Very high94Very high45 Ų4540.6 Ų40.646%0.46423%0.233SC..Hα-helixtrans-61-49.7177.600000112.3A30 N36A30-G32 PolarHBondContact O-N 3.09Å; G32-N36 VanDerWaalsContact O-CB 3.26Å; G32-N36 WeakPolarHBondContact O-CB 3.46Å; G32-N36 PolarHBondContact O-N 3.35Å
33E93.8Very high94.1Very high68 Ų6839.2 Ų39.232%0.31823%0.225SC..Hα-helixtrans-65.3-45.3178.2-61.8-64.4171.100111.3A30 L35 N36 A37 P93 F95 F96A30-E33 PolarHBondContact O-N 3.03Å; E33-L35 VanDerWaalsContact C-N 3.34Å; E33-L35 PolarHBondContact O-N 3.07Å; E33-N36 PolarHBondContact O-N 3.41Å; E33-A37 WeakPolarHBondContact O-CB 3.46Å; E33-A37 PolarHBondContact O-N 2.96Å; E33-P93 HydrophobicContact CB-CB 4.21Å; E33-P93 WeakPolarHBondContact O-CB 3.38Å; E33-F95 HydrophobicContact CG-CB 4.04Å; E33-F95 HydrophobicContact CG-CD1 4.24Å; E33-F96 HydrophobicContact CB-CE1 4.5Å
34N94.6Very high94.2Very high12 Ų1241.9 Ų41.96%0.06424%0.237CC..Hα-helixtrans-56-47.3178.8-173.259.7000112E9 A30 S31 Q38 Y53 N55 F96E9-N34 PolarHBondContact OE1-ND2 2.85Å; A30-N34 WeakPolarHBondContact O-CB 3.36Å; A30-N34 PolarHBondContact O-N 2.97Å; S31-N34 PolarHBondContact O-N 3.5Å; N34-Q38 PolarHBondContact ND2-NE2 3.36Å; N34-Q38 WeakPolarHBondContact O-CG 3.45Å; N34-Q38 PolarHBondContact O-N 3.27Å; N34-Q38 PolarHBondContact O-NE2 2.98Å; N34-Y53 PolarHBondContact OD1-OH 3Å; N34-N55 PolarHBondContact OD1-ND2 2.96Å; N34-F96 HydrophobicContact CB-CE1 4.14Å; N34-F96 HydrophobicContact CB-CZ 4.01Å
35L93.5Very high94.4Very high22 Ų2246.6 Ų46.612%0.11526%0.257CS..Hα-helixtrans-75-35.2-179.9-65.7175.9000112.4P6 L10 S31 E33 Q38 L39P6-L35 HydrophobicContact CB-CD1 4.04Å; P6-L35 HydrophobicContact CB-CD2 3.71Å; P6-L35 HydrophobicContact CB-CG 4.34Å; P6-L35 HydrophobicContact CG-CD2 4.23Å; L10-L35 HydrophobicContact CD1-CD1 3.65Å; L10-L35 HydrophobicContact CD2-CD1 3.99Å; L10-L35 HydrophobicContact CG-CD1 3.62Å; S31-L35 WeakPolarHBondContact O-CB 3.39Å; S31-L35 WeakPolarHBondContact O-CG 3.38Å; S31-L35 PolarHBondContact O-N 2.87Å; E33-L35 VanDerWaalsContact C-N 3.34Å; E33-L35 PolarHBondContact O-N 3.07Å; L35-Q38 PolarHBondContact O-N 3.38Å; L35-L39 PolarHBondContact O-N 3.32Å
36N93.3Very high94.5Very high90 Ų9052.1 Ų52.148%0.48128%0.278SS..Hα-helixtrans-61.8-48.1175.9-172.6-80.5000111.2G32 E33 Q38 L39 V40G32-N36 VanDerWaalsContact O-CB 3.26Å; G32-N36 WeakPolarHBondContact O-CB 3.46Å; G32-N36 PolarHBondContact O-N 3.35Å; E33-N36 PolarHBondContact O-N 3.41Å; N36-Q38 VanDerWaalsContact C-N 3.32Å; N36-Q38 PolarHBondContact O-N 3.06Å; N36-L39 WeakPolarHBondContact O-CB 3.28Å; N36-L39 PolarHBondContact O-N 3.38Å; N36-V40 WeakPolarHBondContact O-CG2 3.47Å; N36-V40 PolarHBondContact O-N 3.43Å
37A95.6Very high94.6Very high6 Ų658.1 Ų58.15%0.0531%0.31CS..Hα-helixtrans-59.9-40.1178.400000112.6E33 V40 A41 Y53 I91 P93E33-A37 WeakPolarHBondContact O-CB 3.46Å; E33-A37 PolarHBondContact O-N 2.96Å; A37-V40 PolarHBondContact O-N 3.4Å; A37-A41 WeakPolarHBondContact O-CB 3.48Å; A37-A41 PolarHBondContact O-N 2.65Å; A37-Y53 HydrophobicContact CB-CD2 3.89Å; A37-Y53 HydrophobicContact CB-CE2 3.98Å; A37-I91 HydrophobicContact CB-CG2 4.08Å; A37-I91 VanDerWaalsContact O-CG2 3.32Å; A37-I91 WeakPolarHBondContact O-CG2 3.47Å; A37-P93 HydrophobicContact CB-CB 3.67Å; A37-P93 HydrophobicContact CB-CG 4.25Å
38Q94.8Very high94.8Very high58 Ų5860.1 Ų60.127%0.27134%0.335SS..Hα-helixtrans-61.9-42.9173.9-70.5176.752.200112N34 L35 N36 A41 A42 Y53N34-Q38 PolarHBondContact ND2-NE2 3.36Å; N34-Q38 WeakPolarHBondContact O-CG 3.45Å; N34-Q38 PolarHBondContact O-N 3.27Å; N34-Q38 PolarHBondContact O-NE2 2.98Å; L35-Q38 PolarHBondContact O-N 3.38Å; N36-Q38 VanDerWaalsContact C-N 3.32Å; N36-Q38 PolarHBondContact O-N 3.06Å; Q38-A41 PolarHBondContact O-N 3.23Å; Q38-A42 WeakPolarHBondContact O-CB 3.47Å; Q38-A42 PolarHBondContact O-N 2.64Å; Q38-Y53 HydrophobicContact CB-CD2 4.48Å; Q38-Y53 HydrophobicContact CG-CD1 3.83Å; Q38-Y53 HydrophobicContact CG-CD2 3.7Å; Q38-Y53 HydrophobicContact CG-CE1 3.88Å; Q38-Y53 HydrophobicContact CG-CE2 3.76Å; Q38-Y53 HydrophobicContact CG-CG 3.74Å
39L93.9Very high95Very high77 Ų7758.4 Ų58.440%0.40333%0.332SS..Hα-helixtrans-64.7-44.2177178.260.6000111.7I2 L35 N36 A42 C43I2-L39 HydrophobicContact CD1-CD1 3.48Å; I2-L39 VanDerWaalsContact CD1-CD1 3.48Å; I2-L39 HydrophobicContact CG1-CD1 4.29Å; L35-L39 PolarHBondContact O-N 3.32Å; N36-L39 WeakPolarHBondContact O-CB 3.28Å; N36-L39 PolarHBondContact O-N 3.38Å; L39-A42 PolarHBondContact O-N 3.46Å; L39-C43 WeakPolarHBondContact O-CB 3.34Å; L39-C43 PolarHBondContact O-N 3.12Å; L39-C43 PolarHBondContact O-SG 2.81Å; L39-C43 VanDerWaalsContact O-SG 3.38Å
40V95.4Very high95.2Very high47 Ų4762 Ų6229%0.28534%0.341SS..Hα-helixtrans-59.9-47.1176.91710000110.7N36 A37 A42 C43 F44 I91N36-V40 WeakPolarHBondContact O-CG2 3.47Å; N36-V40 PolarHBondContact O-N 3.43Å; A37-V40 PolarHBondContact O-N 3.4Å; V40-A42 VanDerWaalsContact C-N 3.33Å; V40-A42 PolarHBondContact O-N 3.01Å; V40-C43 WeakPolarHBondContact O-CB 3.41Å; V40-C43 PolarHBondContact O-N 3.19Å; V40-C43 VanDerWaalsContact O-N 3.15Å; V40-F44 HydrophobicContact CG1-CD1 4.15Å; V40-F44 HydrophobicContact CG1-CE1 3.87Å; V40-F44 HydrophobicContact CG1-CZ 4.2Å; V40-F44 WeakPolarHBondContact O-CD1 3.27Å; V40-F44 PolarHBondContact O-N 3.19Å; V40-I91 HydrophobicContact CB-CG2 4.17Å; V40-I91 HydrophobicContact CG1-CD1 4.33Å; V40-I91 HydrophobicContact CG1-CG2 4.03Å
41A96.2Very high95.4Very high2 Ų262.2 Ų62.22%0.01734%0.343CS..Hα-helixtrans-58.3-44.5175.700000112A37 Q38 C43 F44 Q45 I91A37-A41 WeakPolarHBondContact O-CB 3.48Å; A37-A41 PolarHBondContact O-N 2.65Å; Q38-A41 PolarHBondContact O-N 3.23Å; A41-C43 VanDerWaalsContact C-N 3.34Å; A41-C43 PolarHBondContact O-N 2.83Å; A41-F44 PolarHBondContact O-N 3Å; A41-Q45 VanDerWaalsContact O-CG 3.28Å; A41-Q45 WeakPolarHBondContact O-CG 3.13Å; A41-Q45 PolarHBondContact O-N 2.96Å; A41-I91 HydrophobicContact CB-CB 4.05Å; A41-I91 HydrophobicContact CB-CG1 3.95Å; A41-I91 HydrophobicContact CB-CG2 4.41Å
42A95.5Very high95.5Very high32 Ų3266.4 Ų66.426%0.26436%0.357SS..Hα-helixtrans-64-37.7176.500000112.6I2 Q38 L39 V40 K46I2-A42 HydrophobicContact CG1-CB 4.38Å; Q38-A42 WeakPolarHBondContact O-CB 3.47Å; Q38-A42 PolarHBondContact O-N 2.64Å; L39-A42 PolarHBondContact O-N 3.46Å; V40-A42 VanDerWaalsContact C-N 3.33Å; V40-A42 PolarHBondContact O-N 3.01Å; A42-K46 VanDerWaalsContact O-CB 3.3Å; A42-K46 WeakPolarHBondContact O-CB 3.5Å; A42-K46 PolarHBondContact O-N 3.21Å
43C96.8Very high95.8Very high54 Ų5466.7 Ų66.737%0.36534%0.344SS..Hα-helixtrans-64.8-42.4174.3-76.60000111.7L39 V40 A41 K46 N47L39-C43 WeakPolarHBondContact O-CB 3.34Å; L39-C43 PolarHBondContact O-N 3.12Å; L39-C43 PolarHBondContact O-SG 2.81Å; L39-C43 VanDerWaalsContact O-SG 3.38Å; V40-C43 WeakPolarHBondContact O-CB 3.41Å; V40-C43 PolarHBondContact O-N 3.19Å; V40-C43 VanDerWaalsContact O-N 3.15Å; A41-C43 VanDerWaalsContact C-N 3.34Å; A41-C43 PolarHBondContact O-N 2.83Å; C43-K46 PolarHBondContact O-N 3.44Å; C43-N47 PolarHBondContact O-N 2.94Å; C43-N47 VanDerWaalsContact O-N 3.15Å; C43-N47 PolarHBondContact O-ND2 3.32Å
44F97.1Very high96Very high79 Ų7963.4 Ų63.435%0.34633%0.329SS..Hα-helixtrans-63.1-49.4176.8-81.928.6000110.8V40 A41 K46 N47 G48 V49 A51 I89 I91V40-F44 HydrophobicContact CG1-CD1 4.15Å; V40-F44 HydrophobicContact CG1-CE1 3.87Å; V40-F44 HydrophobicContact CG1-CZ 4.2Å; V40-F44 WeakPolarHBondContact O-CD1 3.27Å; V40-F44 PolarHBondContact O-N 3.19Å; A41-F44 PolarHBondContact O-N 3Å; F44-K46 VanDerWaalsContact C-N 3.32Å; F44-K46 PolarHBondContact O-N 3.07Å; F44-N47 CarbonylContact O-C 3.4Å; F44-N47 PolarHBondContact O-N 2.89Å; F44-G48 PolarHBondContact O-N 3.36Å; F44-V49 HydrophobicContact CB-CB 4.09Å; F44-V49 HydrophobicContact CB-CG1 4.37Å; F44-V49 HydrophobicContact CD2-CG1 4.12Å; F44-V49 WeakPolarHBondContact O-CB 3.46Å; F44-V49 PolarHBondContact O-N 2.91Å; F44-A51 HydrophobicContact CB-CB 3.52Å; F44-A51 HydrophobicContact CD2-CB 3.78Å; F44-A51 HydrophobicContact CG-CB 4.14Å; F44-I89 HydrophobicContact CE2-CG2 4.43Å; F44-I91 HydrophobicContact CD2-CD1 3.94Å; F44-I91 HydrophobicContact CE2-CD1 3.83Å
45Q96.7Very high96.1Very high110 Ų11064.2 Ų64.251%0.51433%0.333SS..Hα-helixtrans-57.8-42.7176.4-71.2172.60.900112.3A41 N47 G48 V49 A51A41-Q45 VanDerWaalsContact O-CG 3.28Å; A41-Q45 WeakPolarHBondContact O-CG 3.13Å; A41-Q45 PolarHBondContact O-N 2.96Å; Q45-N47 PolarHBondContact O-N 3.11Å; Q45-G48 PolarHBondContact O-N 3.39Å; Q45-V49 WeakPolarHBondContact CA-O 3.28Å; Q45-A51 VanDerWaalsContact CG-O 3.28Å; Q45-A51 WeakPolarHBondContact CG-O 3.3Å; Q45-A51 PolarHBondContact NE2-O 3.47Å
46K96.3Very high96.3Very high184 Ų18463.1 Ų63.180%0.833%0.327SS*.Hα-helixtrans-62.5-30.8177.1-174.7179.5177.5-172.40112.5A42 C43 F44 G48A42-K46 VanDerWaalsContact O-CB 3.3Å; A42-K46 WeakPolarHBondContact O-CB 3.5Å; A42-K46 PolarHBondContact O-N 3.21Å; C43-K46 PolarHBondContact O-N 3.44Å; F44-K46 VanDerWaalsContact C-N 3.32Å; F44-K46 PolarHBondContact O-N 3.07Å; K46-G48 VanDerWaalsContact C-N 3.29Å
47N96.8Very high96.5Very high127 Ų12764.8 Ų64.868%0.67933%0.33SS*.THydrogen-bonded Turntrans-88.711.2176.5-71.3-63.4000113.3C43 F44 Q45 V49C43-N47 PolarHBondContact O-N 2.94Å; C43-N47 VanDerWaalsContact O-N 3.15Å; C43-N47 PolarHBondContact O-ND2 3.32Å; F44-N47 CarbonylContact O-C 3.4Å; F44-N47 PolarHBondContact O-N 2.89Å; Q45-N47 PolarHBondContact O-N 3.11Å; N47-V49 VanDerWaalsContact C-N 3.32Å; N47-V49 PolarHBondContact O-N 2.68Å
48G96.7Very high96.6Very high70 Ų7068.7 Ų68.772%0.72235%0.348SS*.THydrogen-bonded Turntrans80.39.2176.500000114.7F44 Q45 K46F44-G48 PolarHBondContact O-N 3.36Å; Q45-G48 PolarHBondContact O-N 3.39Å; K46-G48 VanDerWaalsContact C-N 3.29Å
49V97.5Very high96.7Very high58 Ų5866 Ų6635%0.35234%0.335SS..  trans-83.7128.8174.9-178.70000109F44 Q45 N47 A51 I89F44-V49 HydrophobicContact CB-CB 4.09Å; F44-V49 HydrophobicContact CB-CG1 4.37Å; F44-V49 HydrophobicContact CD2-CG1 4.12Å; F44-V49 WeakPolarHBondContact O-CB 3.46Å; F44-V49 PolarHBondContact O-N 2.91Å; Q45-V49 WeakPolarHBondContact CA-O 3.28Å; N47-V49 VanDerWaalsContact C-N 3.32Å; N47-V49 PolarHBondContact O-N 2.68Å; V49-A51 HydrophobicContact CG1-CB 4.42Å; V49-A51 PolarHBondContact O-N 3.46Å; V49-I89 HydrophobicContact CG1-CD1 3.58Å; V49-I89 HydrophobicContact CG1-CG1 4.49Å
50R96.8Very high96.9Very high148 Ų14862.6 Ų62.656%0.55832%0.318SS*.  trans-69.692.3172.2-72.4-176.764.3176-3.8109.1E87 D88 I89R50-E87 IonicContact CZ-OE2 3.43Å; R50-E87 IonicContact NH1-OE2 3.09Å; R50-E87 PolarHBondContact NH1-OE2 2.85Å; R50-E87 VanDerWaalsContact NH1-OE2 3.09Å; R50-E87 IonicContact NH2-OE2 2.91Å; R50-E87 PolarHBondContact NH2-OE2 3.31Å; R50-D88 IonicContact CZ-OD1 3.42Å; R50-D88 IonicContact NE-OD1 3.03Å; R50-D88 PolarHBondContact NE-OD1 2.92Å; R50-D88 IonicContact NH2-OD1 2.99Å; R50-D88 PolarHBondContact NH2-OD1 3.18Å; R50-I89 PolarHBondContact O-N 3.48Å
51A97Very high97.1Very high5 Ų560.4 Ų60.44%0.04131%0.305CS..EExtended strand (participates in β ladder)trans-132.6148.4179.800000111.2F44 Q45 V49 I89 I91F44-A51 HydrophobicContact CB-CB 3.52Å; F44-A51 HydrophobicContact CD2-CB 3.78Å; F44-A51 HydrophobicContact CG-CB 4.14Å; Q45-A51 VanDerWaalsContact CG-O 3.28Å; Q45-A51 WeakPolarHBondContact CG-O 3.3Å; Q45-A51 PolarHBondContact NE2-O 3.47Å; V49-A51 HydrophobicContact CG1-CB 4.42Å; V49-A51 PolarHBondContact O-N 3.46Å; A51-I89 CarbonylContact C-O 3.55Å; A51-I89 WeakPolarHBondContact CA-O 3.48Å; A51-I89 HydrophobicContact CB-CB 4.09Å; A51-I91 HydrophobicContact CB-CG1 4.27Å
52R96.1Very high97.1Very high100 Ų10061 Ų6138%0.37731%0.309SS..EExtended strand (participates in β ladder)trans-137.5131.2-178.9173.5173.4177.1-165.3-5.1110.5E58 D88 I89 I91R52-E58 IonicContact CZ-OE1 3.63Å; R52-E58 IonicContact NH2-OE1 2.65Å; R52-E58 PolarHBondContact NH2-OE1 3.4Å; R52-E58 IonicContact NH2-OE2 3.4Å; R52-E58 PolarHBondContact NH2-OE2 3.04Å; R52-D88 HydrophobicContact CB-CB 4.45Å; R52-I89 PolarHBondContact N-O 3.45Å; R52-I91 PolarHBondContact O-N 3.01Å
53Y97.1Very high97.2Very high51 Ų5159.6 Ų59.620%0.230%0.297CS..EExtended strand (participates in β ladder)trans-69.7134.8165.7166.3-99.7000110.4N34 A37 Q38 N55 I91 P93N34-Y53 PolarHBondContact OD1-OH 3Å; A37-Y53 HydrophobicContact CB-CD2 3.89Å; A37-Y53 HydrophobicContact CB-CE2 3.98Å; Q38-Y53 HydrophobicContact CB-CD2 4.48Å; Q38-Y53 HydrophobicContact CG-CD1 3.83Å; Q38-Y53 HydrophobicContact CG-CD2 3.7Å; Q38-Y53 HydrophobicContact CG-CE1 3.88Å; Q38-Y53 HydrophobicContact CG-CE2 3.76Å; Q38-Y53 HydrophobicContact CG-CG 3.74Å; Y53-N55 HydrophobicContact CE1-CB 4.12Å; Y53-N55 WeakPolarHBondContact OH-CA 3.25Å; Y53-N55 WeakPolarHBondContact OH-CB 3.35Å; Y53-N55 PolarHBondContact OH-ND2 3.46Å; Y53-N55 VanDerWaalsContact OH-ND2 3.11Å; Y53-I91 WeakPolarHBondContact CA-O 3.47Å; Y53-P93 HydrophobicContact CE2-CG 4.02Å
54I97.6Very high97.3Very high0 Ų057.9 Ų57.90%029%0.286CS..  trans-130.1126.7172.4-171.1171.3000109.6E58 L59 W83 L90 I91 I92 P93I54-E58 HydrophobicContact CD1-CG 4.13Å; I54-E58 HydrophobicContact CG1-CB 3.94Å; I54-E58 HydrophobicContact CG1-CG 3.92Å; I54-L59 HydrophobicContact CD1-CB 3.93Å; I54-L59 HydrophobicContact CD1-CD1 3.8Å; I54-L59 HydrophobicContact CD1-CG 4.48Å; I54-L59 HydrophobicContact CG1-CB 4.16Å; I54-L59 HydrophobicContact CG2-CD1 4.44Å; I54-W83 HydrophobicContact CD1-CD2 3.58Å; I54-W83 VanDerWaalsContact CD1-CE2 3.43Å; I54-W83 HydrophobicContact CD1-CE3 3.68Å; I54-W83 HydrophobicContact CD1-CG 4.36Å; I54-W83 HydrophobicContact CD1-CH2 3.53Å; I54-W83 HydrophobicContact CD1-CZ2 3.43Å; I54-W83 VanDerWaalsContact CD1-CZ2 3.43Å; I54-W83 HydrophobicContact CD1-CZ3 3.65Å; I54-L90 HydrophobicContact CG2-CB 4.4Å; I54-I91 PolarHBondContact N-O 2.76Å; I54-I92 HydrophobicContact CG2-CB 4.25Å; I54-I92 HydrophobicContact CG2-CD1 4.29Å; I54-I92 HydrophobicContact CG2-CG1 3.25Å; I54-P93 VanDerWaalsContact O-CD 3.28Å; I54-P93 WeakPolarHBondContact O-CD 3.31Å
55N97.3Very high97.2Very high28 Ų2858.1 Ų58.115%0.1529%0.291CS..  trans-74.3145.3177.3-178.9-90.2000110.2N34 Y53 K57 E58 L59 Y98N34-N55 PolarHBondContact OD1-ND2 2.96Å; Y53-N55 HydrophobicContact CE1-CB 4.12Å; Y53-N55 WeakPolarHBondContact OH-CA 3.25Å; Y53-N55 WeakPolarHBondContact OH-CB 3.35Å; Y53-N55 PolarHBondContact OH-ND2 3.46Å; Y53-N55 VanDerWaalsContact OH-ND2 3.11Å; N55-K57 PolarHBondContact O-N 2.98Å; N55-K57 WeakPolarHBondContact OD1-CB 3.28Å; N55-K57 PolarHBondContact OD1-N 3.17Å; N55-E58 WeakPolarHBondContact O-CA 3.44Å; N55-E58 WeakPolarHBondContact O-CB 3.36Å; N55-E58 PolarHBondContact O-N 3.39Å; N55-L59 PolarHBondContact O-N 3.11Å; N55-Y98 PolarHBondContact ND2-OH 3.26Å; N55-Y98 VanDerWaalsContact OD1-CE2 3.28Å; N55-Y98 WeakPolarHBondContact OD1-CE2 3.45Å; N55-Y98 PolarHBondContact OD1-OH 2.88Å
56P97.8Very high97.1Very high0 Ų056.3 Ų56.30%028%0.282CS..Hα-helixtrans-53-31.5177.9-3340.6000114.4G60 I61 P93 F96 Y98P56-G60 PolarHBondContact O-N 3.03Å; P56-I61 HydrophobicContact CB-CB 4.12Å; P56-I61 HydrophobicContact CB-CD1 4.14Å; P56-I61 HydrophobicContact CB-CG1 4.4Å; P56-I61 PolarHBondContact O-N 2.93Å; P56-P93 HydrophobicContact CG-CG 3.77Å; P56-F96 HydrophobicContact CB-CD2 4.33Å; P56-F96 HydrophobicContact CB-CE2 4.15Å; P56-F96 HydrophobicContact CG-CD2 3.99Å; P56-F96 HydrophobicContact CG-CE1 4.21Å; P56-F96 HydrophobicContact CG-CE2 3.56Å; P56-F96 HydrophobicContact CG-CZ 3.68Å; P56-Y98 HydrophobicContact CB-CD2 4.46Å; P56-Y98 HydrophobicContact CB-CE2 4.33Å
57K97.4Very high97Very high125 Ų12549.3 Ų49.354%0.54326%0.256SS..Hα-helixtrans-64-43173.6-162.3167.9-176.3165.70112.6N55 G60 Y98N55-K57 PolarHBondContact O-N 2.98Å; N55-K57 WeakPolarHBondContact OD1-CB 3.28Å; N55-K57 PolarHBondContact OD1-N 3.17Å; K57-G60 PolarHBondContact O-N 3.17Å; K57-Y98 HydrophobicContact CB-CD2 3.47Å; K57-Y98 VanDerWaalsContact CB-CD2 3.47Å; K57-Y98 HydrophobicContact CB-CE2 3.53Å; K57-Y98 HydrophobicContact CB-CG 4.02Å; K57-Y98 HydrophobicContact CD-CD1 4.02Å; K57-Y98 HydrophobicContact CD-CD2 4.39Å; K57-Y98 HydrophobicContact CD-CE1 4.14Å; K57-Y98 HydrophobicContact CD-CG 4.13Å; K57-Y98 HydrophobicContact CG-CD1 4.49Å; K57-Y98 HydrophobicContact CG-CD2 4.06Å; K57-Y98 HydrophobicContact CG-CE2 4.42Å; K57-Y98 HydrophobicContact CG-CG 4.1Å
58E97.6Very high96.8Very high88 Ų8848.2 Ų48.241%0.41125%0.246SC..Hα-helixtrans-71.7-40.9178.7-178.4179.2-173.700111R52 I54 N55 G60 W83R52-E58 IonicContact CZ-OE1 3.63Å; R52-E58 IonicContact NH2-OE1 2.65Å; R52-E58 PolarHBondContact NH2-OE1 3.4Å; R52-E58 IonicContact NH2-OE2 3.4Å; R52-E58 PolarHBondContact NH2-OE2 3.04Å; I54-E58 HydrophobicContact CD1-CG 4.13Å; I54-E58 HydrophobicContact CG1-CB 3.94Å; I54-E58 HydrophobicContact CG1-CG 3.92Å; N55-E58 WeakPolarHBondContact O-CA 3.44Å; N55-E58 WeakPolarHBondContact O-CB 3.36Å; N55-E58 PolarHBondContact O-N 3.39Å; E58-G60 PolarHBondContact O-N 3.15Å; E58-W83 HydrophobicContact CG-CH2 4.02Å; E58-W83 HydrophobicContact CG-CZ2 3.77Å; E58-W83 WeakPolarHBondContact OE1-CH2 3.21Å
59L97.9Very high96.7Very high0 Ų047.9 Ų47.90%023%0.228CC..Hα-helixtrans-62.7-28.3174.6-171.370.8000111.9I54 N55 I61 I80 W83 I92 V119I54-L59 HydrophobicContact CD1-CB 3.93Å; I54-L59 HydrophobicContact CD1-CD1 3.8Å; I54-L59 HydrophobicContact CD1-CG 4.48Å; I54-L59 HydrophobicContact CG1-CB 4.16Å; I54-L59 HydrophobicContact CG2-CD1 4.44Å; N55-L59 PolarHBondContact O-N 3.11Å; L59-I61 HydrophobicContact CD2-CD1 3.95Å; L59-I61 HydrophobicContact CD2-CG1 4.06Å; L59-I80 HydrophobicContact CG-CG1 4.17Å; L59-W83 HydrophobicContact CD1-CB 4.21Å; L59-W83 HydrophobicContact CD1-CD2 4.41Å; L59-W83 HydrophobicContact CD1-CG 3.82Å; L59-I92 HydrophobicContact CD1-CD1 4.26Å; L59-I92 HydrophobicContact CD2-CD1 3.72Å; L59-I92 HydrophobicContact CD2-CG1 3.99Å; L59-I92 HydrophobicContact CD2-CG2 3.83Å; L59-V119 HydrophobicContact CD2-CG2 3.81Å
60G97.7Very high96.5Very high6 Ų645.3 Ų45.36%0.06221%0.213CC..THydrogen-bonded Turntrans100.221.1176.800000114.6P56 K57 E58 T62 S76P56-G60 PolarHBondContact O-N 3.03Å; K57-G60 PolarHBondContact O-N 3.17Å; E58-G60 PolarHBondContact O-N 3.15Å; G60-T62 PolarHBondContact O-N 3.15Å; G60-T62 PolarHBondContact O-OG1 3.03Å; G60-S76 WeakPolarHBondContact O-CA 3.18Å; G60-S76 VanDerWaalsContact O-CB 3.3Å; G60-S76 WeakPolarHBondContact O-CB 3.4Å; G60-S76 PolarHBondContact O-OG 3.44Å
61I98.1Very high96.4Very high1 Ų144.4 Ų44.41%0.00521%0.209CC..  trans-70.695.3174.2-59.3-173.6000108.9P56 L59 V63 I72 I80 Y98 F107 T115 V119P56-I61 HydrophobicContact CB-CB 4.12Å; P56-I61 HydrophobicContact CB-CD1 4.14Å; P56-I61 HydrophobicContact CB-CG1 4.4Å; P56-I61 PolarHBondContact O-N 2.93Å; L59-I61 HydrophobicContact CD2-CD1 3.95Å; L59-I61 HydrophobicContact CD2-CG1 4.06Å; I61-V63 HydrophobicContact CG2-CG1 3.97Å; I61-I72 HydrophobicContact CG2-CD1 3.85Å; I61-I80 HydrophobicContact CG1-CD1 4.26Å; I61-Y98 PolarHBondContact O-N 3.4Å; I61-F107 HydrophobicContact CG2-CZ 4.07Å; I61-T115 HydrophobicContact CD1-CG2 4.04Å; I61-V119 HydrophobicContact CD1-CG2 4.38Å
62T98.2Very high96.4Very high15 Ų1545.9 Ų45.99%0.09222%0.216CC..BIsolated β-bridgetrans-100.3129.3174.7-46.20000109.9G60 L73 S76 K79 Y98 T100G60-T62 PolarHBondContact O-N 3.15Å; G60-T62 PolarHBondContact O-OG1 3.03Å; T62-L73 HydrophobicContact CG2-CD1 3.87Å; T62-L73 WeakPolarHBondContact O-CB 3.35Å; T62-L73 PolarHBondContact O-N 2.76Å; T62-S76 WeakPolarHBondContact CA-OG 3.34Å; T62-S76 PolarHBondContact N-OG 2.79Å; T62-S76 PolarHBondContact O-OG 3.27Å; T62-K79 PolarHBondContact OG1-NZ 3.25Å; T62-Y98 CarbonylContact C-O 3.56Å; T62-Y98 WeakPolarHBondContact CA-O 3.4Å; T62-T100 HydrophobicContact CG2-CG2 3.89Å
63V97.7Very high96.4Very high2 Ų243.3 Ų43.31%0.01221%0.21CC..BIsolated β-bridgetrans-126.9163.1-171.6-59.90000113.2I61 A70 R71 I72 Y98 T99 C105 F107I61-V63 HydrophobicContact CG2-CG1 3.97Å; V63-A70 HydrophobicContact CB-CB 3.9Å; V63-A70 HydrophobicContact CG1-CB 4.49Å; V63-A70 HydrophobicContact CG2-CB 3.79Å; V63-R71 CarbonylContact C-O 3.5Å; V63-R71 WeakPolarHBondContact CA-O 3.2Å; V63-R71 WeakPolarHBondContact CB-O 3.32Å; V63-I72 HydrophobicContact CG1-CD1 4.45Å; V63-Y98 PolarHBondContact N-O 2.96Å; V63-T99 WeakPolarHBondContact O-CA 3.43Å; V63-C105 HydrophobicContact CG2-CB 3.91Å; V63-F107 HydrophobicContact CG1-CE1 3.77Å; V63-F107 HydrophobicContact CG1-CZ 3.78Å
64S97.1Very high96.4Very high19 Ų1947.6 Ų47.613%0.13323%0.232CC..  trans-62.4155.817467.20000112E66 R71S64-E66 PolarHBondContact O-N 2.86Å; S64-R71 PolarHBondContact N-O 3.42Å; S64-R71 PolarHBondContact OG-N 3.28Å
65N96.4Very high96.3Very high84 Ų8452 Ų5245%0.44925%0.253SS..SBendtrans-82.462.7177.7-167.7-1.8000111.5Y23 T99Y23-N65 VanDerWaalsContact CE1-OD1 3.31Å; Y23-N65 WeakPolarHBondContact CE1-OD1 3.45Å; Y23-N65 VanDerWaalsContact CZ-OD1 3.3Å; Y23-N65 PolarHBondContact OH-ND2 2.7Å; Y23-N65 PolarHBondContact OH-OD1 3.27Å; N65-T99 HydrophobicContact CB-CG2 4.36Å
66E94.9Very high96.4Very high71 Ų7150.7 Ų50.733%0.33225%0.245SC..  trans-132.286.5179.7-67.9174.8-13400109S64 Q68 N69 A70S64-E66 PolarHBondContact O-N 2.86Å; E66-Q68 PolarHBondContact O-N 3.37Å; E66-N69 HydrophobicContact CB-CB 4.33Å; E66-N69 CarbonylContact O-C 3.58Å; E66-N69 PolarHBondContact O-N 3.31Å; E66-N69 PolarHBondContact OE2-ND2 3Å; E66-A70 WeakPolarHBondContact O-CA 3.39Å; E66-A70 PolarHBondContact O-N 3.14Å
67P94Very high96.4Very high38 Ų3852.7 Ų52.725%0.24725%0.253CS..THydrogen-bonded Turntrans-53.1139.4179.1-26.534.8000112.2P22 Y23 D26 N69P22-P67 HydrophobicContact CB-CG 4.32Å; P22-P67 WeakPolarHBondContact O-CB 3.32Å; Y23-P67 HydrophobicContact CD1-CG 3.81Å; Y23-P67 HydrophobicContact CE1-CG 3.74Å; D26-P67 WeakPolarHBondContact OD2-CA 3.4Å; D26-P67 WeakPolarHBondContact OD2-CB 3.4Å; P67-N69 PolarHBondContact O-N 3.13Å
68Q92.6Very high96.4Very high103 Ų10352.8 Ų52.848%0.48126%0.255SS..THydrogen-bonded Turntrans60.42.4-174.5-54.81687900116.1D26 E66 T106 S108D26-Q68 WeakPolarHBondContact OD1-CG 3.28Å; D26-Q68 PolarHBondContact OD1-N 2.96Å; D26-Q68 PolarHBondContact OD2-N 3.47Å; E66-Q68 PolarHBondContact O-N 3.37Å; Q68-T106 CarbonylContact C-O 3.52Å; Q68-T106 WeakPolarHBondContact CA-OG1 3.45Å; Q68-S108 WeakPolarHBondContact O-CA 3.48Å
69N93.4Very high96.4Very high63 Ų6352.7 Ų52.734%0.33725%0.254SS..SBendtrans-144.528.5-179.8-167.356.9000111.6E66 P67 T106E66-N69 HydrophobicContact CB-CB 4.33Å; E66-N69 CarbonylContact O-C 3.58Å; E66-N69 PolarHBondContact O-N 3.31Å; E66-N69 PolarHBondContact OE2-ND2 3Å; P67-N69 PolarHBondContact O-N 3.13Å; N69-T106 PolarHBondContact N-O 2.94Å
70A94.3Very high96.4Very high5 Ų552.7 Ų52.74%0.04125%0.254CS..BIsolated β-bridgetrans-62.4147.4-172.600000110.8V63 E66 C105 T106 F107V63-A70 HydrophobicContact CB-CB 3.9Å; V63-A70 HydrophobicContact CG1-CB 4.49Å; V63-A70 HydrophobicContact CG2-CB 3.79Å; E66-A70 WeakPolarHBondContact O-CA 3.39Å; E66-A70 PolarHBondContact O-N 3.14Å; A70-C105 HydrophobicContact CB-CB 3.79Å; A70-T106 VanDerWaalsContact CB-O 3.23Å; A70-T106 WeakPolarHBondContact CB-O 3.37Å; A70-T106 PolarHBondContact N-O 3.4Å; A70-F107 HydrophobicContact CB-CD1 4.46Å; A70-F107 VanDerWaalsContact O-CD1 3.23Å; A70-F107 WeakPolarHBondContact O-CD1 3.24Å
71R94.9Very high96.4Very high128 Ų12856.5 Ų56.548%0.48327%0.267SS..  trans-122.4137.2177.2-67.2175.6169.4168.5-3.7109.8V63 S64 L73V63-R71 CarbonylContact C-O 3.5Å; V63-R71 WeakPolarHBondContact CA-O 3.2Å; V63-R71 WeakPolarHBondContact CB-O 3.32Å; S64-R71 PolarHBondContact N-O 3.42Å; S64-R71 PolarHBondContact OG-N 3.28Å; R71-L73 PolarHBondContact O-N 3.01Å
72I96.1Very high96.4Very high37 Ų3763.4 Ų63.419%0.1930%0.299CS..BIsolated β-bridgetrans-60.2132.8177.7-169.564.6000111I61 V63 S76 Y77 I118I61-I72 HydrophobicContact CG2-CD1 3.85Å; V63-I72 HydrophobicContact CG1-CD1 4.45Å; I72-S76 VanDerWaalsContact CD1-CB 3.47Å; I72-S76 WeakPolarHBondContact CD1-OG 3.36Å; I72-Y77 WeakPolarHBondContact CG2-OH 3.5Å; I72-I118 HydrophobicContact CB-CD1 3.75Å; I72-I118 HydrophobicContact CB-CG1 4.15Å; I72-I118 HydrophobicContact CD1-CD1 4.16Å; I72-I118 HydrophobicContact CD1-CG2 3.81Å; I72-I118 HydrophobicContact CG1-CD1 4.06Å; I72-I118 HydrophobicContact CG1-CG1 4.2Å; I72-I118 HydrophobicContact CG1-CG2 3.93Å; I72-I118 HydrophobicContact CG2-CD1 4.2Å; I72-I118 HydrophobicContact CG2-CG1 4.2Å
73L97Very high96.3Very high46 Ų4665.1 Ų65.124%0.24130%0.304CS..  trans-87.1142.6171.1-55.1-175.1000110.2T62 R71 E75 S76 T100T62-L73 HydrophobicContact CG2-CD1 3.87Å; T62-L73 WeakPolarHBondContact O-CB 3.35Å; T62-L73 PolarHBondContact O-N 2.76Å; R71-L73 PolarHBondContact O-N 3.01Å; L73-E75 VanDerWaalsContact C-N 3.26Å; L73-E75 HydrophobicContact CB-CG 4.42Å; L73-E75 WeakPolarHBondContact CB-OE2 3.33Å; L73-E75 WeakPolarHBondContact CD1-OE1 3.25Å; L73-E75 PolarHBondContact O-N 2.86Å; L73-S76 WeakPolarHBondContact O-CB 3.42Å; L73-S76 PolarHBondContact O-N 2.98Å; L73-S76 PolarHBondContact O-OG 3.46Å; L73-T100 HydrophobicContact CD1-CG2 3.98Å
74E96.2Very high96.2Very high141 Ų14169.6 Ų69.666%0.65932%0.321SS*.THydrogen-bonded Turntrans-59.7-33.6-171.6-165.665.1-156.300112.7S76 Y77E74-S76 PolarHBondContact O-N 3.05Å; E74-S76 VanDerWaalsContact O-N 3.1Å; E74-Y77 WeakPolarHBondContact O-CD2 3.08Å; E74-Y77 PolarHBondContact O-N 2.68Å
75E96.2Very high96.2Very high93 Ų9376.2 Ų76.244%0.43535%0.349SS..Hα-helixtrans-63.3-16.1177.364.8-95-147.400114.3L73 Y77L73-E75 VanDerWaalsContact C-N 3.26Å; L73-E75 HydrophobicContact CB-CG 4.42Å; L73-E75 WeakPolarHBondContact CB-OE2 3.33Å; L73-E75 WeakPolarHBondContact CD1-OE1 3.25Å; L73-E75 PolarHBondContact O-N 2.86Å; E75-Y77 VanDerWaalsContact C-N 3.32Å; E75-Y77 PolarHBondContact O-N 2.79Å
76S98.1Very high96.1Very high0 Ų074.4 Ų74.40%034%0.344CS..Hα-helixtrans-66.1-35.8178.9-55.20000111.8G60 T62 I72 L73 E74 E78 K79 I80G60-S76 WeakPolarHBondContact O-CA 3.18Å; G60-S76 VanDerWaalsContact O-CB 3.3Å; G60-S76 WeakPolarHBondContact O-CB 3.4Å; G60-S76 PolarHBondContact O-OG 3.44Å; T62-S76 WeakPolarHBondContact CA-OG 3.34Å; T62-S76 PolarHBondContact N-OG 2.79Å; T62-S76 PolarHBondContact O-OG 3.27Å; I72-S76 VanDerWaalsContact CD1-CB 3.47Å; I72-S76 WeakPolarHBondContact CD1-OG 3.36Å; L73-S76 WeakPolarHBondContact O-CB 3.42Å; L73-S76 PolarHBondContact O-N 2.98Å; L73-S76 PolarHBondContact O-OG 3.46Å; E74-S76 PolarHBondContact O-N 3.05Å; E74-S76 VanDerWaalsContact O-N 3.1Å; S76-E78 VanDerWaalsContact C-N 3.31Å; S76-E78 PolarHBondContact O-N 2.89Å; S76-K79 PolarHBondContact O-N 2.98Å; S76-K79 VanDerWaalsContact O-N 3.12Å; S76-I80 VanDerWaalsContact O-CG1 3.25Å; S76-I80 WeakPolarHBondContact O-CG1 3.37Å; S76-I80 PolarHBondContact O-N 3.29Å
77Y98.2Very high96.1Very high41 Ų4178.4 Ų78.416%0.16136%0.362CS..Hα-helixtrans-63.3-36.8-175.4-64.8-64.9000112.5I72 E74 E75 K79 I80 Y81 I118 A121I72-Y77 WeakPolarHBondContact CG2-OH 3.5Å; E74-Y77 WeakPolarHBondContact O-CD2 3.08Å; E74-Y77 PolarHBondContact O-N 2.68Å; E75-Y77 VanDerWaalsContact C-N 3.32Å; E75-Y77 PolarHBondContact O-N 2.79Å; Y77-K79 VanDerWaalsContact C-N 3.35Å; Y77-I80 PolarHBondContact O-N 3Å; Y77-Y81 WeakPolarHBondContact O-CB 3.18Å; Y77-Y81 PolarHBondContact O-N 3.03Å; Y77-I118 HydrophobicContact CE1-CG2 4.2Å; Y77-A121 HydrophobicContact CD1-CB 4.4Å; Y77-A121 HydrophobicContact CE1-CB 3.88Å
78E97.4Very high96.1Very high127 Ų12779.3 Ų79.359%0.59337%0.365SS*.Hα-helixtrans-67.2-36.4176.4-172.561.1-160.900111.9S76S76-E78 VanDerWaalsContact C-N 3.31Å; S76-E78 PolarHBondContact O-N 2.89Å
79K98Very high96.3Very high86 Ų8678.5 Ų78.537%0.37436%0.363SS..Hα-helixtrans-69.8-44.9175.5-61.6175.6-171.8167.90111.3T62 S76 Y77 Y81 Q82T62-K79 PolarHBondContact OG1-NZ 3.25Å; S76-K79 PolarHBondContact O-N 2.98Å; S76-K79 VanDerWaalsContact O-N 3.12Å; Y77-K79 VanDerWaalsContact C-N 3.35Å; K79-Y81 VanDerWaalsContact C-N 3.29Å; K79-Y81 PolarHBondContact O-N 3.13Å; K79-Q82 WeakPolarHBondContact O-CB 3.25Å; K79-Q82 PolarHBondContact O-N 3.38Å
80I98.3Very high96.6Very high0 Ų077.2 Ų77.20%036%0.356CS..Hα-helixtrans-60-42.3177.5-64.4162.6000109.9L59 I61 S76 Y77 Q82 W83 I118 L123L59-I80 HydrophobicContact CG-CG1 4.17Å; I61-I80 HydrophobicContact CG1-CD1 4.26Å; S76-I80 VanDerWaalsContact O-CG1 3.25Å; S76-I80 WeakPolarHBondContact O-CG1 3.37Å; S76-I80 PolarHBondContact O-N 3.29Å; Y77-I80 PolarHBondContact O-N 3Å; I80-Q82 PolarHBondContact O-N 2.79Å; I80-Q82 VanDerWaalsContact O-N 3.13Å; I80-W83 WeakPolarHBondContact O-CB 3.5Å; I80-W83 PolarHBondContact O-N 2.95Å; I80-I118 HydrophobicContact CD1-CG2 3.74Å; I80-L123 HydrophobicContact CG2-CD2 3.92Å; I80-L123 HydrophobicContact CG2-CG 3.89Å; I80-L123 VanDerWaalsContact O-CD2 3.31Å; I80-L123 WeakPolarHBondContact O-CD2 3.23Å
81Y98.1Very high96.7Very high87 Ų8778 Ų7834%0.34136%0.359SS..Hα-helixtrans-58.6-28.3-178.2-172.6-102.6000113.8Y77 K79 W83 R84 G122 K124Y77-Y81 WeakPolarHBondContact O-CB 3.18Å; Y77-Y81 PolarHBondContact O-N 3.03Å; K79-Y81 VanDerWaalsContact C-N 3.29Å; K79-Y81 PolarHBondContact O-N 3.13Å; Y81-W83 PolarHBondContact O-N 3.49Å; Y81-W83 VanDerWaalsContact O-N 3.1Å; Y81-R84 VanDerWaalsContact CE2-CD 3.48Å; Y81-R84 VanDerWaalsContact O-CB 3.22Å; Y81-R84 WeakPolarHBondContact O-CB 3.43Å; Y81-R84 PolarHBondContact O-N 3.32Å; Y81-G122 WeakPolarHBondContact CA-O 3.49Å; Y81-G122 WeakPolarHBondContact CB-O 3.47Å; Y81-G122 WeakPolarHBondContact CD2-O 3.47Å; Y81-K124 HydrophobicContact CD2-CD 4.11Å; Y81-K124 HydrophobicContact CD2-CG 4.29Å; Y81-K124 HydrophobicContact CE2-CD 3.83Å; Y81-K124 HydrophobicContact CE2-CG 4.31Å
82Q97.2Very high96.9Very high146 Ų14673.9 Ų73.968%0.68235%0.346SS*.THydrogen-bonded Turntrans-60.2-22.5176.9-62.2175.611.100112.8K79 I80K79-Q82 WeakPolarHBondContact O-CB 3.25Å; K79-Q82 PolarHBondContact O-N 3.38Å; I80-Q82 PolarHBondContact O-N 2.79Å; I80-Q82 VanDerWaalsContact O-N 3.13Å
83W97Very high96.9Very high51 Ų5172.2 Ų72.219%0.19334%0.338CS..THydrogen-bonded Turntrans-87.1-4.5179.5-62.193.2000113.9I54 E58 L59 I80 Y81 E85 S86 L90 L123I54-W83 HydrophobicContact CD1-CD2 3.58Å; I54-W83 VanDerWaalsContact CD1-CE2 3.43Å; I54-W83 HydrophobicContact CD1-CE3 3.68Å; I54-W83 HydrophobicContact CD1-CG 4.36Å; I54-W83 HydrophobicContact CD1-CH2 3.53Å; I54-W83 HydrophobicContact CD1-CZ2 3.43Å; I54-W83 VanDerWaalsContact CD1-CZ2 3.43Å; I54-W83 HydrophobicContact CD1-CZ3 3.65Å; E58-W83 HydrophobicContact CG-CH2 4.02Å; E58-W83 HydrophobicContact CG-CZ2 3.77Å; E58-W83 WeakPolarHBondContact OE1-CH2 3.21Å; L59-W83 HydrophobicContact CD1-CB 4.21Å; L59-W83 HydrophobicContact CD1-CD2 4.41Å; L59-W83 HydrophobicContact CD1-CG 3.82Å; I80-W83 WeakPolarHBondContact O-CB 3.5Å; I80-W83 PolarHBondContact O-N 2.95Å; Y81-W83 PolarHBondContact O-N 3.49Å; Y81-W83 VanDerWaalsContact O-N 3.1Å; W83-E85 VanDerWaalsContact C-N 3.3Å; W83-E85 PolarHBondContact O-N 3.12Å; W83-S86 VanDerWaalsContact O-CB 3.28Å; W83-S86 WeakPolarHBondContact O-CB 3.41Å; W83-S86 PolarHBondContact O-N 2.68Å; W83-S86 VanDerWaalsContact O-N 3.13Å; W83-S86 PolarHBondContact O-OG 2.81Å; W83-L90 HydrophobicContact CB-CD1 3.88Å; W83-L90 HydrophobicContact CE3-CD1 4.32Å; W83-L123 HydrophobicContact CB-CD2 4.09Å
84R95.8Very high96.8Very high96 Ų9670.5 Ų70.536%0.36233%0.331SS..THydrogen-bonded Turntrans-56.3-40.2-175.8-179.9-179.9175102.42.6113.7Y81 S86 L123 K124Y81-R84 VanDerWaalsContact CE2-CD 3.48Å; Y81-R84 VanDerWaalsContact O-CB 3.22Å; Y81-R84 WeakPolarHBondContact O-CB 3.43Å; Y81-R84 PolarHBondContact O-N 3.32Å; R84-S86 PolarHBondContact O-N 3.24Å; R84-L123 HydrophobicContact CB-CD2 4.37Å; R84-L123 PolarHBondContact NH1-O 3.22Å; R84-K124 VanDerWaalsContact NH1-C 3.32Å; R84-K124 PolarHBondContact NH1-O 2.51Å
85E95.6Very high96.8Very high157 Ų15766 Ų6673%0.73431%0.31SS*.THydrogen-bonded Turntrans-89.718.2-176.4-55.9-58.3139.400112.8W83 E87W83-E85 VanDerWaalsContact C-N 3.3Å; W83-E85 PolarHBondContact O-N 3.12Å; E85-E87 PolarHBondContact O-N 2.9Å
86S95.2Very high96.8Very high47 Ų4761.6 Ų61.633%0.32929%0.289SS..  trans-66.2130176.8-60.10000110.8W83 R84 D88W83-S86 VanDerWaalsContact O-CB 3.28Å; W83-S86 WeakPolarHBondContact O-CB 3.41Å; W83-S86 PolarHBondContact O-N 2.68Å; W83-S86 VanDerWaalsContact O-N 3.13Å; W83-S86 PolarHBondContact O-OG 2.81Å; R84-S86 PolarHBondContact O-N 3.24Å; S86-D88 VanDerWaalsContact C-N 3.32Å
87E94.2Very high96.8Very high155 Ų15561.6 Ų61.672%0.72429%0.289SS*.SBendtrans-75.7-20.8175-65.6-172.517200113.6R50 E85R50-E87 IonicContact CZ-OE2 3.43Å; R50-E87 IonicContact NH1-OE2 3.09Å; R50-E87 PolarHBondContact NH1-OE2 2.85Å; R50-E87 VanDerWaalsContact NH1-OE2 3.09Å; R50-E87 IonicContact NH2-OE2 2.91Å; R50-E87 PolarHBondContact NH2-OE2 3.31Å; E85-E87 PolarHBondContact O-N 2.9Å
88D95.1Very high96.8Very high57 Ų5761.5 Ų61.531%0.30529%0.289SS..SBendtrans-91.3148.8-178.1-61.8-25.4000110.6R50 R52 S86 L90R50-D88 IonicContact CZ-OD1 3.42Å; R50-D88 IonicContact NE-OD1 3.03Å; R50-D88 PolarHBondContact NE-OD1 2.92Å; R50-D88 IonicContact NH2-OD1 2.99Å; R50-D88 PolarHBondContact NH2-OD1 3.18Å; R52-D88 HydrophobicContact CB-CB 4.45Å; S86-D88 VanDerWaalsContact C-N 3.32Å; D88-L90 PolarHBondContact O-N 2.85Å
89I97.1Very high96.8Very high85 Ų8555.8 Ų55.844%0.43626%0.262SS..EExtended strand (participates in β ladder)trans-67.8113.8168.7-59-178.1000108.6F44 V49 R50 A51 R52 I91F44-I89 HydrophobicContact CE2-CG2 4.43Å; V49-I89 HydrophobicContact CG1-CD1 3.58Å; V49-I89 HydrophobicContact CG1-CG1 4.49Å; R50-I89 PolarHBondContact O-N 3.48Å; A51-I89 CarbonylContact C-O 3.55Å; A51-I89 WeakPolarHBondContact CA-O 3.48Å; A51-I89 HydrophobicContact CB-CB 4.09Å; R52-I89 PolarHBondContact N-O 3.45Å; I89-I91 HydrophobicContact CG2-CD1 3.91Å
90L97.9Very high96.8Very high36 Ų3656.4 Ų56.419%0.18827%0.274CS..EExtended strand (participates in β ladder)trans-81.3123.1178.7-54.8-177.8000110.3I54 W83 D88 I92I54-L90 HydrophobicContact CG2-CB 4.4Å; W83-L90 HydrophobicContact CB-CD1 3.88Å; W83-L90 HydrophobicContact CE3-CD1 4.32Å; D88-L90 PolarHBondContact O-N 2.85Å; L90-I92 HydrophobicContact CB-CD1 4.36Å; L90-I92 HydrophobicContact CB-CG1 4.45Å
91I97.9Very high96.7Very high23 Ų2362 Ų6212%0.11830%0.304CS..EExtended strand (participates in β ladder)trans-103.9108.3174.8-51.2-59.5000107.9A37 V40 A41 F44 A51 R52 Y53 I54 I89A37-I91 HydrophobicContact CB-CG2 4.08Å; A37-I91 VanDerWaalsContact O-CG2 3.32Å; A37-I91 WeakPolarHBondContact O-CG2 3.47Å; V40-I91 HydrophobicContact CB-CG2 4.17Å; V40-I91 HydrophobicContact CG1-CD1 4.33Å; V40-I91 HydrophobicContact CG1-CG2 4.03Å; A41-I91 HydrophobicContact CB-CB 4.05Å; A41-I91 HydrophobicContact CB-CG1 3.95Å; A41-I91 HydrophobicContact CB-CG2 4.41Å; F44-I91 HydrophobicContact CD2-CD1 3.94Å; F44-I91 HydrophobicContact CE2-CD1 3.83Å; A51-I91 HydrophobicContact CB-CG1 4.27Å; R52-I91 PolarHBondContact O-N 3.01Å; Y53-I91 WeakPolarHBondContact CA-O 3.47Å; I54-I91 PolarHBondContact N-O 2.76Å; I89-I91 HydrophobicContact CG2-CD1 3.91Å
92I97.8Very high96.5Very high41 Ų4159.3 Ų59.321%0.2130%0.302CS..  trans-112.1127.3-174.1-58151.9000107.5I54 L59 L90 V119I54-I92 HydrophobicContact CG2-CB 4.25Å; I54-I92 HydrophobicContact CG2-CD1 4.29Å; I54-I92 HydrophobicContact CG2-CG1 3.25Å; L59-I92 HydrophobicContact CD1-CD1 4.26Å; L59-I92 HydrophobicContact CD2-CD1 3.72Å; L59-I92 HydrophobicContact CD2-CG1 3.99Å; L59-I92 HydrophobicContact CD2-CG2 3.83Å; L90-I92 HydrophobicContact CB-CD1 4.36Å; L90-I92 HydrophobicContact CB-CG1 4.45Å; I92-V119 HydrophobicContact CD1-CG1 3.64Å; I92-V119 HydrophobicContact CD1-CG2 4.1Å; I92-V119 HydrophobicContact CG2-CG2 4.42Å
93P96.8Very high96.5Very high2 Ų256.1 Ų56.11%0.01329%0.287CS..  trans-69.8143.2171.630.8-32.7000110.2E33 A37 Y53 I54 P56 F96E33-P93 HydrophobicContact CB-CB 4.21Å; E33-P93 WeakPolarHBondContact O-CB 3.38Å; A37-P93 HydrophobicContact CB-CB 3.67Å; A37-P93 HydrophobicContact CB-CG 4.25Å; Y53-P93 HydrophobicContact CE2-CG 4.02Å; I54-P93 VanDerWaalsContact O-CD 3.28Å; I54-P93 WeakPolarHBondContact O-CD 3.31Å; P56-P93 HydrophobicContact CG-CG 3.77Å; P93-F96 HydrophobicContact CB-CE1 3.86Å; P93-F96 HydrophobicContact CB-CZ 4.34Å; P93-F96 HydrophobicContact CG-CE1 3.83Å; P93-F96 HydrophobicContact CG-CZ 3.81Å
94G95.1Very high96.5Very high10 Ų1054.8 Ų54.810%0.10328%0.283CS..SBendtrans-79.6-177174.700000113.2F96G94-F96 VanDerWaalsContact C-N 3.32Å; G94-F96 WeakPolarHBondContact O-CD1 3.25Å; G94-F96 PolarHBondContact O-N 3.29Å; G94-F96 VanDerWaalsContact O-N 3.14Å
95F95.2Very high96.5Very high46 Ų4650.2 Ų50.220%0.20227%0.266CS..SBendtrans76.5-17.2163-170.7-150.7000118.1L29 E33 T106 F107 G111 T115L29-F95 HydrophobicContact CB-CE1 3.98Å; L29-F95 HydrophobicContact CB-CZ 4.5Å; E33-F95 HydrophobicContact CG-CB 4.04Å; E33-F95 HydrophobicContact CG-CD1 4.24Å; F95-T106 HydrophobicContact CD1-CG2 4.34Å; F95-T106 HydrophobicContact CE1-CG2 4.1Å; F95-T106 HydrophobicContact CE2-CG2 4.32Å; F95-T106 HydrophobicContact CZ-CG2 4.08Å; F95-T106 CarbonylContact O-C 3.5Å; F95-T106 WeakPolarHBondContact O-CA 3.31Å; F95-F107 VanDerWaalsContact CE2-O 3.32Å; F95-F107 WeakPolarHBondContact CE2-O 3.07Å; F95-F107 VanDerWaalsContact O-CD2 3.25Å; F95-F107 WeakPolarHBondContact O-CD2 3.4Å; F95-F107 PolarHBondContact O-N 2.93Å; F95-G111 PolarHBondContact N-O 3.04Å; F95-T115 PolarHBondContact N-OG1 2.88Å
96F97.3Very high96.6Very high0 Ų042.8 Ų42.80%023%0.232CC..EExtended strand (participates in β ladder)trans-142.8162-177.670.8-84.3000115.2A30 E33 N34 P56 P93 G94 Y98 L104 C105 T106A30-F96 HydrophobicContact CB-CB 3.92Å; A30-F96 HydrophobicContact CB-CD1 3.49Å; A30-F96 VanDerWaalsContact CB-CD1 3.49Å; A30-F96 HydrophobicContact CB-CD2 4.33Å; A30-F96 HydrophobicContact CB-CE1 4.01Å; A30-F96 HydrophobicContact CB-CG 3.67Å; E33-F96 HydrophobicContact CB-CE1 4.5Å; N34-F96 HydrophobicContact CB-CE1 4.14Å; N34-F96 HydrophobicContact CB-CZ 4.01Å; P56-F96 HydrophobicContact CB-CD2 4.33Å; P56-F96 HydrophobicContact CB-CE2 4.15Å; P56-F96 HydrophobicContact CG-CD2 3.99Å; P56-F96 HydrophobicContact CG-CE1 4.21Å; P56-F96 HydrophobicContact CG-CE2 3.56Å; P56-F96 HydrophobicContact CG-CZ 3.68Å; P93-F96 HydrophobicContact CB-CE1 3.86Å; P93-F96 HydrophobicContact CB-CZ 4.34Å; P93-F96 HydrophobicContact CG-CE1 3.83Å; P93-F96 HydrophobicContact CG-CZ 3.81Å; G94-F96 VanDerWaalsContact C-N 3.32Å; G94-F96 WeakPolarHBondContact O-CD1 3.25Å; G94-F96 PolarHBondContact O-N 3.29Å; G94-F96 VanDerWaalsContact O-N 3.14Å; F96-Y98 HydrophobicContact CD2-CE2 4.17Å; F96-Y98 AromaticContact CE2-CE2 3.89Å; F96-Y98 HydrophobicContact CE2-CE2 3.89Å; F96-L104 HydrophobicContact CB-CD2 4.02Å; F96-L104 HydrophobicContact CB-CG 4.37Å; F96-L104 HydrophobicContact CD2-CD1 3.68Å; F96-L104 HydrophobicContact CD2-CD2 4.23Å; F96-L104 HydrophobicContact CD2-CG 3.7Å; F96-L104 HydrophobicContact CE2-CD1 3.82Å; F96-L104 HydrophobicContact CE2-CG 4.33Å; F96-L104 HydrophobicContact CG-CD1 4.34Å; F96-L104 HydrophobicContact CG-CD2 4.32Å; F96-L104 HydrophobicContact CG-CG 4.29Å; F96-C105 WeakPolarHBondContact CA-O 3.34Å; F96-C105 WeakPolarHBondContact CB-O 3.27Å; F96-T106 HydrophobicContact CB-CG2 4.22Å
97G97.6Very high96.5Very high0 Ų040.7 Ų40.70%022%0.217CC..EExtended strand (participates in β ladder)trans-141.6-167.7170.300000110.8L104 C105G97-L104 WeakPolarHBondContact O-CA 3.22Å; G97-C105 PolarHBondContact N-O 3.32Å; G97-C105 PolarHBondContact O-N 2.85Å
98Y98.4Very high96.3Very high40 Ų4034.2 Ų34.216%0.15719%0.189CC..EExtended strand (participates in β ladder)trans-122.2138.8177.2-69-98.2000111.4N55 P56 K57 I61 T62 V63 F96 H103 L104N55-Y98 PolarHBondContact ND2-OH 3.26Å; N55-Y98 VanDerWaalsContact OD1-CE2 3.28Å; N55-Y98 WeakPolarHBondContact OD1-CE2 3.45Å; N55-Y98 PolarHBondContact OD1-OH 2.88Å; P56-Y98 HydrophobicContact CB-CD2 4.46Å; P56-Y98 HydrophobicContact CB-CE2 4.33Å; K57-Y98 HydrophobicContact CB-CD2 3.47Å; K57-Y98 VanDerWaalsContact CB-CD2 3.47Å; K57-Y98 HydrophobicContact CB-CE2 3.53Å; K57-Y98 HydrophobicContact CB-CG 4.02Å; K57-Y98 HydrophobicContact CD-CD1 4.02Å; K57-Y98 HydrophobicContact CD-CD2 4.39Å; K57-Y98 HydrophobicContact CD-CE1 4.14Å; K57-Y98 HydrophobicContact CD-CG 4.13Å; K57-Y98 HydrophobicContact CG-CD1 4.49Å; K57-Y98 HydrophobicContact CG-CD2 4.06Å; K57-Y98 HydrophobicContact CG-CE2 4.42Å; K57-Y98 HydrophobicContact CG-CG 4.1Å; I61-Y98 PolarHBondContact O-N 3.4Å; T62-Y98 CarbonylContact C-O 3.56Å; T62-Y98 WeakPolarHBondContact CA-O 3.4Å; V63-Y98 PolarHBondContact N-O 2.96Å; F96-Y98 HydrophobicContact CD2-CE2 4.17Å; F96-Y98 AromaticContact CE2-CE2 3.89Å; F96-Y98 HydrophobicContact CE2-CE2 3.89Å; Y98-H103 CarbonylContact C-O 3.48Å; Y98-H103 WeakPolarHBondContact CA-O 3.34Å; Y98-L104 HydrophobicContact CD1-CB 4.28Å; Y98-L104 HydrophobicContact CE1-CB 3.96Å; Y98-L104 HydrophobicContact CE1-CG 4.5Å
99T98Very high95.7Very high6 Ų641.4 Ų41.44%0.03721%0.211CC..  trans-67.1167171.769.40000111Y23 V63 N65 D101 G102 H103 C105Y23-T99 HydrophobicContact CE1-CG2 4.44Å; V63-T99 WeakPolarHBondContact O-CA 3.43Å; N65-T99 HydrophobicContact CB-CG2 4.36Å; T99-D101 PolarHBondContact O-N 3.49Å; T99-D101 PolarHBondContact OG1-N 3.32Å; T99-G102 WeakPolarHBondContact O-CA 3.33Å; T99-G102 PolarHBondContact O-N 2.86Å; T99-G102 PolarHBondContact OG1-N 3.29Å; T99-H103 HydrophobicContact CG2-CB 4.27Å; T99-H103 PolarHBondContact N-O 3.18Å; T99-H103 PolarHBondContact OG1-N 2.88Å; T99-H103 VanDerWaalsContact OG1-N 3.13Å; T99-C105 HydrophobicContact CG2-CB 4.36Å; T99-C105 WeakPolarHBondContact CG2-SG 3.47Å
100T96.5Very high95.1Very high100 Ų10038.6 Ų38.661%0.61320%0.203SC*.THydrogen-bonded Turntrans-58.6-28.1172.849.30000112.9T62 L73 G102T62-T100 HydrophobicContact CG2-CG2 3.89Å; L73-T100 HydrophobicContact CD1-CG2 3.98Å; T100-G102 VanDerWaalsContact C-N 3.27Å
101D96Very high94.8Very high117 Ų11737.1 Ų37.163%0.62620%0.196SC*.THydrogen-bonded Turntrans-84-4.3176.7-57.1-42000112.5T99T99-D101 PolarHBondContact O-N 3.49Å; T99-D101 PolarHBondContact OG1-N 3.32Å
102G95.6Very high94.5Very high30 Ų3038.4 Ų38.431%0.30921%0.207SC..SBendtrans88.511.5174.700000115.2T99 T100T99-G102 WeakPolarHBondContact O-CA 3.33Å; T99-G102 PolarHBondContact O-N 2.86Å; T99-G102 PolarHBondContact OG1-N 3.29Å; T100-G102 VanDerWaalsContact C-N 3.27Å
103H96.5Very high94.2Very high79 Ų7938.2 Ų38.237%0.36621%0.207SC..  trans-77.1142.3172-65.1-78.7000110.8Y23 Y98 T99Y23-H103 HydrophobicContact CD1-CB 3.76Å; Y23-H103 HydrophobicContact CD2-CB 3.91Å; Y23-H103 AromaticContact CD2-CE1 3.98Å; Y23-H103 AromaticContact CD2-CG 3.62Å; Y23-H103 AromaticContact CD2-ND1 3.41Å; Y23-H103 WeakPolarHBondContact CD2-ND1 3.31Å; Y23-H103 HydrophobicContact CE1-CB 3.82Å; Y23-H103 HydrophobicContact CE2-CB 3.97Å; Y23-H103 AromaticContact CE2-CD2 3.73Å; Y23-H103 AromaticContact CE2-CE1 3.9Å; Y23-H103 AromaticContact CE2-CG 3.51Å; Y23-H103 AromaticContact CE2-ND1 3.62Å; Y23-H103 AromaticContact CE2-NE2 4Å; Y23-H103 HydrophobicContact CG-CB 3.81Å; Y23-H103 AromaticContact CZ-CD2 3.99Å; Y23-H103 AromaticContact CZ-CG 3.85Å; Y98-H103 CarbonylContact C-O 3.48Å; Y98-H103 WeakPolarHBondContact CA-O 3.34Å; T99-H103 HydrophobicContact CG2-CB 4.27Å; T99-H103 PolarHBondContact N-O 3.18Å; T99-H103 PolarHBondContact OG1-N 2.88Å; T99-H103 VanDerWaalsContact OG1-N 3.13Å
104L96.4Very high94.1Very high23 Ų2338.8 Ų38.812%0.1221%0.21CC..EExtended strand (participates in β ladder)trans-77.1127.8172.9-176.1161.7000108.9D26 A30 F96 G97 Y98 T106D26-L104 HydrophobicContact CB-CD2 4.04Å; D26-L104 WeakPolarHBondContact O-CD2 3.21Å; A30-L104 HydrophobicContact CB-CD1 3.94Å; A30-L104 HydrophobicContact CB-CD2 3.66Å; A30-L104 HydrophobicContact CB-CG 4.38Å; F96-L104 HydrophobicContact CB-CD2 4.02Å; F96-L104 HydrophobicContact CB-CG 4.37Å; F96-L104 HydrophobicContact CD2-CD1 3.68Å; F96-L104 HydrophobicContact CD2-CD2 4.23Å; F96-L104 HydrophobicContact CD2-CG 3.7Å; F96-L104 HydrophobicContact CE2-CD1 3.82Å; F96-L104 HydrophobicContact CE2-CG 4.33Å; F96-L104 HydrophobicContact CG-CD1 4.34Å; F96-L104 HydrophobicContact CG-CD2 4.32Å; F96-L104 HydrophobicContact CG-CG 4.29Å; G97-L104 WeakPolarHBondContact O-CA 3.22Å; Y98-L104 HydrophobicContact CD1-CB 4.28Å; Y98-L104 HydrophobicContact CE1-CB 3.96Å; Y98-L104 HydrophobicContact CE1-CG 4.5Å; L104-T106 HydrophobicContact CD2-CG2 4.35Å
105C97.1Very high94.1Very high0 Ų038.5 Ų38.50%021%0.206CC..EExtended strand (participates in β ladder)trans-127.8140.3173.1-68.90000111.6Y23 D26 V63 A70 F96 G97 T99Y23-C105 WeakPolarHBondContact CD1-SG 3.45Å; Y23-C105 WeakPolarHBondContact CE1-SG 3.28Å; D26-C105 VanDerWaalsContact OD2-CA 3.25Å; D26-C105 WeakPolarHBondContact OD2-CA 3.16Å; V63-C105 HydrophobicContact CG2-CB 3.91Å; A70-C105 HydrophobicContact CB-CB 3.79Å; F96-C105 WeakPolarHBondContact CA-O 3.34Å; F96-C105 WeakPolarHBondContact CB-O 3.27Å; G97-C105 PolarHBondContact N-O 3.32Å; G97-C105 PolarHBondContact O-N 2.85Å; T99-C105 HydrophobicContact CG2-CB 4.36Å; T99-C105 WeakPolarHBondContact CG2-SG 3.47Å
106T96.3Very high94.1Very high1 Ų137.4 Ų37.41%0.00621%0.207CC..EExtended strand (participates in β ladder)trans-91.2146.4176.865.70000111.8D26 L29 A30 Q68 N69 A70 F95 F96 L104D26-T106 HydrophobicContact CB-CG2 3.87Å; D26-T106 VanDerWaalsContact CG-N 3.34Å; D26-T106 WeakPolarHBondContact O-CG2 3.4Å; D26-T106 PolarHBondContact OD1-OG1 3.01Å; D26-T106 PolarHBondContact OD2-N 3.42Å; D26-T106 PolarHBondContact OD2-OG1 3.13Å; L29-T106 HydrophobicContact CB-CG2 4.38Å; A30-T106 HydrophobicContact CB-CG2 4.16Å; Q68-T106 CarbonylContact C-O 3.52Å; Q68-T106 WeakPolarHBondContact CA-OG1 3.45Å; N69-T106 PolarHBondContact N-O 2.94Å; A70-T106 VanDerWaalsContact CB-O 3.23Å; A70-T106 WeakPolarHBondContact CB-O 3.37Å; A70-T106 PolarHBondContact N-O 3.4Å; F95-T106 HydrophobicContact CD1-CG2 4.34Å; F95-T106 HydrophobicContact CE1-CG2 4.1Å; F95-T106 HydrophobicContact CE2-CG2 4.32Å; F95-T106 HydrophobicContact CZ-CG2 4.08Å; F95-T106 CarbonylContact O-C 3.5Å; F95-T106 WeakPolarHBondContact O-CA 3.31Å; F96-T106 HydrophobicContact CB-CG2 4.22Å; L104-T106 HydrophobicContact CD2-CG2 4.35Å
107F94.3Very high94.1Very high4 Ų437.4 Ų37.42%0.01821%0.207CC..BIsolated β-bridgetrans-68.7169.5169.9-63.8-69000110.5I61 V63 A70 F95 I114 T115 I118I61-F107 HydrophobicContact CG2-CZ 4.07Å; V63-F107 HydrophobicContact CG1-CE1 3.77Å; V63-F107 HydrophobicContact CG1-CZ 3.78Å; A70-F107 HydrophobicContact CB-CD1 4.46Å; A70-F107 VanDerWaalsContact O-CD1 3.23Å; A70-F107 WeakPolarHBondContact O-CD1 3.24Å; F95-F107 VanDerWaalsContact CE2-O 3.32Å; F95-F107 WeakPolarHBondContact CE2-O 3.07Å; F95-F107 VanDerWaalsContact O-CD2 3.25Å; F95-F107 WeakPolarHBondContact O-CD2 3.4Å; F95-F107 PolarHBondContact O-N 2.93Å; F107-I114 HydrophobicContact CB-CD1 3.97Å; F107-I114 HydrophobicContact CB-CG2 4.4Å; F107-I114 HydrophobicContact CD1-CG2 3.72Å; F107-I114 HydrophobicContact CD2-CG2 4.17Å; F107-I114 HydrophobicContact CE1-CG2 4.04Å; F107-I114 HydrophobicContact CE2-CG2 4.46Å; F107-I114 HydrophobicContact CG-CB 4.39Å; F107-I114 HydrophobicContact CG-CG2 3.84Å; F107-I114 HydrophobicContact CZ-CG2 4.41Å; F107-T115 VanDerWaalsContact CE2-OG1 3.26Å; F107-T115 WeakPolarHBondContact CE2-OG1 3.3Å; F107-I118 HydrophobicContact CE1-CD1 3.75Å; F107-I118 HydrophobicContact CE2-CD1 4.24Å; F107-I118 HydrophobicContact CZ-CD1 3.52Å
108S89.4Confident94.1Very high19 Ų1937.4 Ų37.413%0.13321%0.208CC..SBendtrans-68.8-170.6169.865.60000111.8Q68 G111Q68-S108 WeakPolarHBondContact O-CA 3.48Å; S108-G111 PolarHBondContact O-N 3.27Å; S108-G111 VanDerWaalsContact O-N 3.17Å
109R82.8Confident94Very high208 Ų20836.3 Ų36.379%0.78521%0.205SC*.THydrogen-bonded Turntrans-55142.7179.4-74.3-176.9177.9-164.2-0.5111.5G111 H171R109-G111 VanDerWaalsContact C-N 3.35Å; R109-H171 VanDerWaalsContact O-CB 3.24Å; R109-H171 WeakPolarHBondContact O-CB 3.26Å; R109-H171 VanDerWaalsContact O-CG 3.28Å
110G85Confident94Very high25 Ų2536.2 Ų36.226%0.25821%0.205SC..THydrogen-bonded Turntrans75.925-172.100000112.7S112 D113 I114G110-S112 VanDerWaalsContact C-N 3.27Å; G110-S112 PolarHBondContact O-N 3.1Å; G110-D113 WeakPolarHBondContact O-CA 3.43Å; G110-D113 WeakPolarHBondContact O-CB 3.23Å; G110-D113 PolarHBondContact O-N 2.87Å; G110-I114 WeakPolarHBondContact O-CG1 3.24Å; G110-I114 PolarHBondContact O-N 3.12Å
111G90.5Very high94.1Very high5 Ų531.9 Ų31.95%0.05218%0.179CC..Hα-helixtrans-56.7-33.7-175.200000115.6F95 S108 R109 T115F95-G111 PolarHBondContact N-O 3.04Å; S108-G111 PolarHBondContact O-N 3.27Å; S108-G111 VanDerWaalsContact O-N 3.17Å; R109-G111 VanDerWaalsContact C-N 3.35Å; G111-T115 WeakPolarHBondContact O-CB 3.25Å; G111-T115 PolarHBondContact O-N 3.34Å; G111-T115 PolarHBondContact O-OG1 3.17Å
112S91.3Very high94.2Very high50 Ų5026.4 Ų26.435%0.3515%0.15SC..Hα-helixtrans-68.1-39.9173.3-59.10000111.6G110 T115 G116G110-S112 VanDerWaalsContact C-N 3.27Å; G110-S112 PolarHBondContact O-N 3.1Å; S112-T115 PolarHBondContact O-N 3.21Å; S112-G116 PolarHBondContact O-N 2.9Å
113D92.1Very high94.3Very high37 Ų3726.3 Ų26.320%0.19814%0.142CC..Hα-helixtrans-65.4-42.2174.7-54.3-48.4000111.5G110 T115 G116 S117 Y128 N130 F170 A174G110-D113 WeakPolarHBondContact O-CA 3.43Å; G110-D113 WeakPolarHBondContact O-CB 3.23Å; G110-D113 PolarHBondContact O-N 2.87Å; D113-T115 VanDerWaalsContact C-N 3.34Å; D113-G116 PolarHBondContact O-N 2.9Å; D113-S117 VanDerWaalsContact O-CB 3.27Å; D113-S117 WeakPolarHBondContact O-CB 3.45Å; D113-S117 PolarHBondContact O-N 3.45Å; D113-Y128 PolarHBondContact O-OH 3.4Å; D113-N130 PolarHBondContact OD1-ND2 2.95Å; D113-F170 HydrophobicContact CB-CD1 4.11Å; D113-F170 HydrophobicContact CB-CE1 4.08Å; D113-A174 HydrophobicContact CB-CB 3.79Å
114I93.8Very high94.3Very high15 Ų1528.3 Ų28.38%0.07715%0.15CC..Hα-helixtrans-57.2-48.5172.8-69.4163.8000109.6F107 G110 S117 I118 A174F107-I114 HydrophobicContact CB-CD1 3.97Å; F107-I114 HydrophobicContact CB-CG2 4.4Å; F107-I114 HydrophobicContact CD1-CG2 3.72Å; F107-I114 HydrophobicContact CD2-CG2 4.17Å; F107-I114 HydrophobicContact CE1-CG2 4.04Å; F107-I114 HydrophobicContact CE2-CG2 4.46Å; F107-I114 HydrophobicContact CG-CB 4.39Å; F107-I114 HydrophobicContact CG-CG2 3.84Å; F107-I114 HydrophobicContact CZ-CG2 4.41Å; G110-I114 WeakPolarHBondContact O-CG1 3.24Å; G110-I114 PolarHBondContact O-N 3.12Å; I114-S117 WeakPolarHBondContact O-CB 3.23Å; I114-S117 PolarHBondContact O-N 2.91Å; I114-I118 HydrophobicContact CG2-CD1 3.56Å; I114-I118 HydrophobicContact CG2-CG1 4.29Å; I114-I118 VanDerWaalsContact O-CG1 3.24Å; I114-I118 WeakPolarHBondContact O-CG1 3.46Å; I114-I118 PolarHBondContact O-N 3.42Å; I114-A174 HydrophobicContact CG1-CB 3.98Å
115T96.1Very high94.4Very high4 Ų429.3 Ų29.33%0.02516%0.157CC..Hα-helixtrans-63.8-46.6179.8-57.70000111.5I61 F95 F107 G111 S112 D113 S117 I118 V119I61-T115 HydrophobicContact CD1-CG2 4.04Å; F95-T115 PolarHBondContact N-OG1 2.88Å; F107-T115 VanDerWaalsContact CE2-OG1 3.26Å; F107-T115 WeakPolarHBondContact CE2-OG1 3.3Å; G111-T115 WeakPolarHBondContact O-CB 3.25Å; G111-T115 PolarHBondContact O-N 3.34Å; G111-T115 PolarHBondContact O-OG1 3.17Å; S112-T115 PolarHBondContact O-N 3.21Å; D113-T115 VanDerWaalsContact C-N 3.34Å; T115-S117 VanDerWaalsContact C-N 3.26Å; T115-S117 PolarHBondContact O-N 2.99Å; T115-I118 PolarHBondContact O-N 2.92Å; T115-V119 HydrophobicContact CG2-CG2 4.15Å; T115-V119 WeakPolarHBondContact O-CB 3.2Å; T115-V119 VanDerWaalsContact O-CG2 3.28Å; T115-V119 WeakPolarHBondContact O-CG2 3.43Å; T115-V119 PolarHBondContact O-N 3.04Å
116G96Very high94.4Very high22 Ų2236.1 Ų36.123%0.22719%0.194CC..Hα-helixtrans-57.5-41176.100000112.3S112 D113 V119 A120S112-G116 PolarHBondContact O-N 2.9Å; D113-G116 PolarHBondContact O-N 2.9Å; G116-V119 PolarHBondContact O-N 3.01Å; G116-A120 WeakPolarHBondContact O-CB 3.45Å; G116-A120 PolarHBondContact O-N 2.9Å
117S96Very high94.4Very high0 Ų039.4 Ų39.40%021%0.211CC..Hα-helixtrans-65.6-43.6175.7-167.70000112.7D113 I114 T115 A121 A174 P177 A178D113-S117 VanDerWaalsContact O-CB 3.27Å; D113-S117 WeakPolarHBondContact O-CB 3.45Å; D113-S117 PolarHBondContact O-N 3.45Å; I114-S117 WeakPolarHBondContact O-CB 3.23Å; I114-S117 PolarHBondContact O-N 2.91Å; T115-S117 VanDerWaalsContact C-N 3.26Å; T115-S117 PolarHBondContact O-N 2.99Å; S117-A121 VanDerWaalsContact O-CB 3.3Å; S117-A121 WeakPolarHBondContact O-CB 3.36Å; S117-A121 PolarHBondContact O-N 3.19Å; S117-A174 WeakPolarHBondContact CB-O 3.14Å; S117-A174 PolarHBondContact OG-O 3.22Å; S117-P177 VanDerWaalsContact OG-CD 3.3Å; S117-P177 WeakPolarHBondContact OG-CD 3.33Å; S117-A178 WeakPolarHBondContact OG-CB 3.2Å; S117-A178 PolarHBondContact OG-N 3.44Å
118I97.5Very high94.6Very high1 Ų140.4 Ų40.41%0.00522%0.215CC..Hα-helixtrans-61.4-48.2175.4-71.6163000110.6I72 Y77 I80 F107 I114 T115 A121 G122 P177I72-I118 HydrophobicContact CB-CD1 3.75Å; I72-I118 HydrophobicContact CB-CG1 4.15Å; I72-I118 HydrophobicContact CD1-CD1 4.16Å; I72-I118 HydrophobicContact CD1-CG2 3.81Å; I72-I118 HydrophobicContact CG1-CD1 4.06Å; I72-I118 HydrophobicContact CG1-CG1 4.2Å; I72-I118 HydrophobicContact CG1-CG2 3.93Å; I72-I118 HydrophobicContact CG2-CD1 4.2Å; I72-I118 HydrophobicContact CG2-CG1 4.2Å; Y77-I118 HydrophobicContact CE1-CG2 4.2Å; I80-I118 HydrophobicContact CD1-CG2 3.74Å; F107-I118 HydrophobicContact CE1-CD1 3.75Å; F107-I118 HydrophobicContact CE2-CD1 4.24Å; F107-I118 HydrophobicContact CZ-CD1 3.52Å; I114-I118 HydrophobicContact CG2-CD1 3.56Å; I114-I118 HydrophobicContact CG2-CG1 4.29Å; I114-I118 VanDerWaalsContact O-CG1 3.24Å; I114-I118 WeakPolarHBondContact O-CG1 3.46Å; I114-I118 PolarHBondContact O-N 3.42Å; T115-I118 PolarHBondContact O-N 2.92Å; I118-A121 PolarHBondContact O-N 3.46Å; I118-G122 PolarHBondContact O-N 2.97Å; I118-P177 HydrophobicContact CG1-CB 4.27Å; I118-P177 HydrophobicContact CG1-CG 3.78Å
119V97.8Very high94.9Very high16 Ų1644 Ų4410%0.09723%0.229CC..Hα-helixtrans-65.1-45-179172.80000110.2L59 I61 I92 T115 G116 A121 G122 L123L59-V119 HydrophobicContact CD2-CG2 3.81Å; I61-V119 HydrophobicContact CD1-CG2 4.38Å; I92-V119 HydrophobicContact CD1-CG1 3.64Å; I92-V119 HydrophobicContact CD1-CG2 4.1Å; I92-V119 HydrophobicContact CG2-CG2 4.42Å; T115-V119 HydrophobicContact CG2-CG2 4.15Å; T115-V119 WeakPolarHBondContact O-CB 3.2Å; T115-V119 VanDerWaalsContact O-CG2 3.28Å; T115-V119 WeakPolarHBondContact O-CG2 3.43Å; T115-V119 PolarHBondContact O-N 3.04Å; G116-V119 PolarHBondContact O-N 3.01Å; V119-A121 VanDerWaalsContact C-N 3.33Å; V119-A121 PolarHBondContact O-N 3.32Å; V119-G122 PolarHBondContact O-N 2.91Å; V119-L123 HydrophobicContact CG1-CD1 3.64Å; V119-L123 HydrophobicContact CG1-CG 4.17Å; V119-L123 VanDerWaalsContact O-CB 3.31Å; V119-L123 WeakPolarHBondContact O-CB 3.47Å; V119-L123 WeakPolarHBondContact O-CG 3.39Å; V119-L123 PolarHBondContact O-N 3.02Å
120A97.8Very high95.5Very high5 Ų534.6 Ų34.64%0.04120%0.195CC..Hα-helixtrans-55.4-49.5174.500000111.3G116 K124 V125 Y128 I183G116-A120 WeakPolarHBondContact O-CB 3.45Å; G116-A120 PolarHBondContact O-N 2.9Å; A120-K124 WeakPolarHBondContact O-CA 3.37Å; A120-K124 PolarHBondContact O-N 2.91Å; A120-V125 HydrophobicContact CB-CG2 3.65Å; A120-V125 PolarHBondContact O-N 2.96Å; A120-V125 VanDerWaalsContact O-N 3.14Å; A120-Y128 HydrophobicContact CB-CD1 4.28Å; A120-Y128 HydrophobicContact CB-CG 4.04Å; A120-I183 HydrophobicContact CB-CD1 4.27Å; A120-I183 WeakPolarHBondContact O-CD1 3.2Å
121A97.8Very high95.9Very high9 Ų937.9 Ų37.97%0.07420%0.202CC..Hα-helixtrans-62.4-46.6177.900000112.8Y77 S117 I118 V119 K124 P177 A181Y77-A121 HydrophobicContact CD1-CB 4.4Å; Y77-A121 HydrophobicContact CE1-CB 3.88Å; S117-A121 VanDerWaalsContact O-CB 3.3Å; S117-A121 WeakPolarHBondContact O-CB 3.36Å; S117-A121 PolarHBondContact O-N 3.19Å; I118-A121 PolarHBondContact O-N 3.46Å; V119-A121 VanDerWaalsContact C-N 3.33Å; V119-A121 PolarHBondContact O-N 3.32Å; A121-K124 WeakPolarHBondContact O-CG 3.28Å; A121-K124 PolarHBondContact O-N 2.89Å; A121-K124 VanDerWaalsContact O-N 3.16Å; A121-P177 HydrophobicContact CB-CB 4Å; A121-A181 HydrophobicContact CB-CB 3.75Å
122G98.1Very high95.9Very high2 Ų239.4 Ų39.42%0.02121%0.21CC..Hα-helixtrans-66.7-38.9-179.500000113.2Y81 I118 V119 K124Y81-G122 WeakPolarHBondContact CA-O 3.49Å; Y81-G122 WeakPolarHBondContact CB-O 3.47Å; Y81-G122 WeakPolarHBondContact CD2-O 3.47Å; I118-G122 PolarHBondContact O-N 2.97Å; V119-G122 PolarHBondContact O-N 2.91Å; G122-K124 VanDerWaalsContact C-N 3.29Å
123L97.7Very high95.9Very high27 Ų2742.7 Ų42.714%0.14122%0.224CC..Hα-helixtrans-78.3-14.3174.2-65.2178.7000112.6I80 W83 R84 V119 V125I80-L123 HydrophobicContact CG2-CD2 3.92Å; I80-L123 HydrophobicContact CG2-CG 3.89Å; I80-L123 VanDerWaalsContact O-CD2 3.31Å; I80-L123 WeakPolarHBondContact O-CD2 3.23Å; W83-L123 HydrophobicContact CB-CD2 4.09Å; R84-L123 HydrophobicContact CB-CD2 4.37Å; R84-L123 PolarHBondContact NH1-O 3.22Å; V119-L123 HydrophobicContact CG1-CD1 3.64Å; V119-L123 HydrophobicContact CG1-CG 4.17Å; V119-L123 VanDerWaalsContact O-CB 3.31Å; V119-L123 WeakPolarHBondContact O-CB 3.47Å; V119-L123 WeakPolarHBondContact O-CG 3.39Å; V119-L123 PolarHBondContact O-N 3.02Å; L123-V125 HydrophobicContact CB-CG1 3.79Å; L123-V125 HydrophobicContact CD1-CG1 4.48Å
124K97.1Very high95.9Very high121 Ų12143 Ų4353%0.52623%0.227SC..THydrogen-bonded Turntrans55.446.7-173.9-57.4178.5-174.41660112.7Y81 R84 A120 A121 G122Y81-K124 HydrophobicContact CD2-CD 4.11Å; Y81-K124 HydrophobicContact CD2-CG 4.29Å; Y81-K124 HydrophobicContact CE2-CD 3.83Å; Y81-K124 HydrophobicContact CE2-CG 4.31Å; R84-K124 VanDerWaalsContact NH1-C 3.32Å; R84-K124 PolarHBondContact NH1-O 2.51Å; A120-K124 WeakPolarHBondContact O-CA 3.37Å; A120-K124 PolarHBondContact O-N 2.91Å; A121-K124 WeakPolarHBondContact O-CG 3.28Å; A121-K124 PolarHBondContact O-N 2.89Å; A121-K124 VanDerWaalsContact O-N 3.16Å; G122-K124 VanDerWaalsContact C-N 3.29Å
125V97.3Very high95.8Very high45 Ų4544.6 Ų44.627%0.27324%0.236SC..  trans-66.8159.2-178-57.10000112.2A120 L123 L127 I183A120-V125 HydrophobicContact CB-CG2 3.65Å; A120-V125 PolarHBondContact O-N 2.96Å; A120-V125 VanDerWaalsContact O-N 3.14Å; L123-V125 HydrophobicContact CB-CG1 3.79Å; L123-V125 HydrophobicContact CD1-CG1 4.48Å; V125-L127 WeakPolarHBondContact CG2-O 3.5Å; V125-I183 HydrophobicContact CG2-CD1 4.15Å; V125-I183 HydrophobicContact CG2-CG2 3.92Å; V125-I183 WeakPolarHBondContact O-CG1 3.42Å
126D97.3Very high95.7Very high143 Ų14344.4 Ų44.477%0.76524%0.235SC*.SBendtrans-76.3-25177.3-60.6-53.6000113.1P184D126-P184 WeakPolarHBondContact O-CD 3.34Å
127L97.6Very high95.5Very high69 Ų6943.5 Ų43.536%0.36122%0.224SC..  trans-154.4136.7-177.3-179.365000110.2V125 E129 P184 I186 L199V125-L127 WeakPolarHBondContact CG2-O 3.5Å; L127-E129 HydrophobicContact CD2-CG 3.87Å; L127-E129 HydrophobicContact CG-CG 4.07Å; L127-P184 HydrophobicContact CD1-CB 3.93Å; L127-I186 HydrophobicContact CD1-CB 4.22Å; L127-I186 HydrophobicContact CD1-CG2 3.96Å; L127-I186 HydrophobicContact CD2-CG2 4.04Å; L127-I186 HydrophobicContact CG-CG2 4.17Å; L127-L199 HydrophobicContact CD1-CD1 4.41Å
128Y97Very high95.4Very high25 Ų2545.6 Ų45.610%0.09823%0.234CC..EExtended strand (participates in β ladder)trans-106.1108.6167.2172.1-157.3000109.5D113 A120 N130 L175 A178 P184 V185 I186D113-Y128 PolarHBondContact O-OH 3.4Å; A120-Y128 HydrophobicContact CB-CD1 4.28Å; A120-Y128 HydrophobicContact CB-CG 4.04Å; Y128-N130 HydrophobicContact CE2-CB 4.17Å; Y128-N130 PolarHBondContact OH-ND2 2.87Å; Y128-L175 HydrophobicContact CE1-CD2 4.37Å; Y128-A178 HydrophobicContact CD1-CB 4.48Å; Y128-P184 PolarHBondContact N-O 3.16Å; Y128-V185 HydrophobicContact CD1-CG1 4.31Å; Y128-V185 HydrophobicContact CD1-CG2 3.66Å; Y128-V185 HydrophobicContact CG-CG2 4.22Å; Y128-V185 CarbonylContact O-C 3.6Å; Y128-V185 VanDerWaalsContact O-CA 3.23Å; Y128-V185 WeakPolarHBondContact O-CA 3.37Å; Y128-I186 PolarHBondContact O-N 3.08Å
129E96.5Very high95.2Very high95 Ų9545.6 Ų45.644%0.44423%0.234SC..EExtended strand (participates in β ladder)trans-87117.8171.6-49.5-164.6135.900110L127 F131 I186L127-E129 HydrophobicContact CD2-CG 3.87Å; L127-E129 HydrophobicContact CG-CG 4.07Å; E129-F131 HydrophobicContact CB-CD2 4.15Å; E129-F131 HydrophobicContact CB-CE2 3.71Å; E129-F131 WeakPolarHBondContact OE2-CE2 3.31Å; E129-I186 HydrophobicContact CB-CG2 3.91Å; E129-I186 HydrophobicContact CG-CG2 3.6Å
130N94.7Very high95.1Very high10 Ų1044.8 Ų44.85%0.05323%0.229CC..EExtended strand (participates in β ladder)trans-102.8108.6174.2-176.3-74000108.7D113 Y128 F170 I186 I187 K188D113-N130 PolarHBondContact OD1-ND2 2.95Å; Y128-N130 HydrophobicContact CE2-CB 4.17Å; Y128-N130 PolarHBondContact OH-ND2 2.87Å; N130-F170 HydrophobicContact CB-CZ 4.27Å; N130-I186 PolarHBondContact N-O 3.14Å; N130-I187 HydrophobicContact CB-CD1 3.93Å; N130-K188 PolarHBondContact O-N 3.41Å
131F94.3Very high94.7Very high95 Ų9546.6 Ų46.642%0.41724%0.242SC..EExtended strand (participates in β ladder)trans-90.8123.3178.4-77.8-95.1000110.5E129 K188 P193E129-F131 HydrophobicContact CB-CD2 4.15Å; E129-F131 HydrophobicContact CB-CE2 3.71Å; E129-F131 WeakPolarHBondContact OE2-CE2 3.31Å; F131-K188 CarbonylContact C-O 3.2Å; F131-K188 WeakPolarHBondContact CA-O 3.45Å; F131-K188 HydrophobicContact CD1-CB 3.66Å; F131-K188 HydrophobicContact CD2-CB 4.38Å; F131-K188 HydrophobicContact CE1-CB 3.62Å; F131-K188 HydrophobicContact CE1-CG 4.36Å; F131-K188 HydrophobicContact CE2-CB 4.35Å; F131-K188 HydrophobicContact CG-CB 4.06Å; F131-K188 HydrophobicContact CZ-CB 3.99Å; F131-K188 HydrophobicContact CZ-CG 4.26Å; F131-P193 HydrophobicContact CE1-CB 4.35Å
132T91.4Very high94.4Very high37 Ų3749.9 Ų49.923%0.22726%0.262CS..EExtended strand (participates in β ladder)trans-127.1-165.9179.4-173.80000110.3V134 I187 K188 T190T132-V134 HydrophobicContact CG2-CG2 3.56Å; T132-I187 HydrophobicContact CG2-CG2 3.78Å; T132-K188 PolarHBondContact N-O 3Å; T132-T190 PolarHBondContact O-N 3.2Å; T132-T190 PolarHBondContact O-OG1 3.11Å
133D91Very high94Very high118 Ų11856.7 Ų56.763%0.63129%0.291SS*.SBendtrans-96.40.4179.667.1-18.8000114.1
134V90.8Very high93.7Very high45 Ų4556.4 Ų56.427%0.27329%0.288SS..SBendtrans-118.5154.1177.6-64.60000112.1T132 G136 V169 N189T132-V134 HydrophobicContact CG2-CG2 3.56Å; V134-G136 WeakPolarHBondContact CG2-O 3.43Å; V134-G136 PolarHBondContact O-N 3.46Å; V134-V169 HydrophobicContact CG2-CG2 4.45Å; V134-N189 WeakPolarHBondContact O-CA 3.49Å; V134-N189 VanDerWaalsContact O-CB 3.28Å; V134-N189 WeakPolarHBondContact O-CB 3.43Å
135D93.1Very high93.6Very high48 Ų4850.8 Ų50.826%0.25726%0.264SS..SBendtrans-62-25.2179.5-77.4-11.7000113.6L150 N189 N192 G197D135-L150 HydrophobicContact CB-CD1 4.5Å; D135-N189 WeakPolarHBondContact OD1-CB 3.3Å; D135-N189 PolarHBondContact OD1-ND2 3.33Å; D135-N192 WeakPolarHBondContact OD1-CB 3.17Å; D135-N192 PolarHBondContact OD1-ND2 3.03Å; D135-N192 VanDerWaalsContact OD1-ND2 3.15Å; D135-N192 PolarHBondContact OD2-ND2 2.9Å; D135-G197 WeakPolarHBondContact O-CA 3.46Å
136G92.6Very high93.4Very high0 Ų056.7 Ų56.70%029%0.288CS..SBendtrans165.3-151.117400000110.3V134V134-G136 WeakPolarHBondContact CG2-O 3.43Å; V134-G136 PolarHBondContact O-N 3.46Å
137I92.5Very high93.1Very high2 Ų256.3 Ų56.31%0.0129%0.286CS..  trans-93.6121.5178.6-56.2-177.4000107.7I151 I159 F167 V169 I187 T198 I200I137-I151 HydrophobicContact CB-CD1 4.44Å; I137-I151 HydrophobicContact CG2-CD1 3.72Å; I137-I151 WeakPolarHBondContact O-CA 2.99Å; I137-I151 VanDerWaalsContact O-CB 3.25Å; I137-I151 WeakPolarHBondContact O-CB 3.25Å; I137-I151 PolarHBondContact O-N 3.14Å; I137-I159 HydrophobicContact CD1-CD1 3.51Å; I137-I159 HydrophobicContact CD1-CG1 4.28Å; I137-I159 HydrophobicContact CG2-CD1 4.31Å; I137-F167 HydrophobicContact CB-CE1 4.16Å; I137-F167 HydrophobicContact CB-CZ 4.4Å; I137-F167 HydrophobicContact CG1-CE1 4.45Å; I137-F167 HydrophobicContact CG2-CD1 4.05Å; I137-F167 HydrophobicContact CG2-CE1 3.31Å; I137-F167 HydrophobicContact CG2-CE2 4.27Å; I137-F167 HydrophobicContact CG2-CZ 3.44Å; I137-F167 VanDerWaalsContact CG2-CZ 3.44Å; I137-V169 HydrophobicContact CG1-CB 4.44Å; I137-V169 HydrophobicContact CG1-CG1 4.26Å; I137-I187 HydrophobicContact CD1-CG1 4.15Å; I137-I187 HydrophobicContact CG1-CG1 4.21Å; I137-T198 HydrophobicContact CB-CG2 4.09Å; I137-T198 HydrophobicContact CD1-CG2 4.11Å; I137-T198 HydrophobicContact CG1-CG2 4.17Å; I137-T198 PolarHBondContact N-OG1 3.08Å; I137-I200 HydrophobicContact CD1-CD1 4.03Å
138F93.2Very high93Very high44 Ų4453.4 Ų53.419%0.19327%0.271CS..BIsolated β-bridgetrans-86.7150175.6-64.4-77.6000112.2A140 P142 P148 E149 L150 F167F138-A140 WeakPolarHBondContact CB-O 3.48Å; F138-A140 PolarHBondContact O-N 2.89Å; F138-A140 VanDerWaalsContact O-N 3.14Å; F138-P142 HydrophobicContact CD2-CG 4.07Å; F138-P142 HydrophobicContact CG-CG 4.48Å; F138-P148 HydrophobicContact CB-CB 4.14Å; F138-P148 HydrophobicContact CB-CG 3.76Å; F138-P148 HydrophobicContact CD1-CG 4.02Å; F138-P148 VanDerWaalsContact CD1-O 3.23Å; F138-P148 WeakPolarHBondContact CD1-O 3.1Å; F138-P148 HydrophobicContact CG-CG 3.96Å; F138-E149 CarbonylContact C-O 3.45Å; F138-E149 WeakPolarHBondContact CA-O 3.37Å; F138-L150 HydrophobicContact CD1-CB 4.42Å; F138-L150 HydrophobicContact CD1-CD1 4.26Å; F138-L150 HydrophobicContact CE1-CB 4.4Å; F138-L150 HydrophobicContact CE1-CD1 4.09Å; F138-L150 HydrophobicContact CZ-CD1 4.44Å; F138-F167 WeakPolarHBondContact O-CE2 3.34Å; F138-F167 WeakPolarHBondContact O-CZ 3.48Å
139A94.7Very high92.9Very high1 Ų156.3 Ų56.31%0.00829%0.286CS..SBendtrans-63.3-18.3179.900000113.7E149 I151 G214 V215 Y358 F362A139-E149 HydrophobicContact CB-CB 4.29Å; A139-E149 PolarHBondContact N-O 2.91Å; A139-I151 HydrophobicContact CB-CG1 4.15Å; A139-G214 CarbonylContact O-C 3.18Å; A139-G214 WeakPolarHBondContact O-CA 3.23Å; A139-V215 PolarHBondContact O-N 3.02Å; A139-Y358 HydrophobicContact CB-CE2 4.05Å; A139-F362 HydrophobicContact CB-CD1 4.03Å; A139-F362 HydrophobicContact CB-CE1 3.49Å; A139-F362 VanDerWaalsContact CB-CE1 3.49Å; A139-F362 HydrophobicContact CB-CE2 4.36Å; A139-F362 HydrophobicContact CB-CZ 3.69Å
140A94.2Very high92.7Very high0 Ų054.2 Ų54.20%028%0.277CS..SBendtrans-152.6163.7166.800000110.2F138 P142 I145 P148 V215 V354 Y358F138-A140 WeakPolarHBondContact CB-O 3.48Å; F138-A140 PolarHBondContact O-N 2.89Å; F138-A140 VanDerWaalsContact O-N 3.14Å; A140-P142 WeakPolarHBondContact O-CD 3.37Å; A140-I145 HydrophobicContact CB-CG1 3.6Å; A140-P148 WeakPolarHBondContact O-CB 3.45Å; A140-P148 VanDerWaalsContact O-CG 3.31Å; A140-P148 WeakPolarHBondContact O-CG 3.46Å; A140-V215 WeakPolarHBondContact CA-O 3.35Å; A140-V354 HydrophobicContact CB-CG1 4.38Å; A140-Y358 HydrophobicContact CB-CD2 3.48Å; A140-Y358 VanDerWaalsContact CB-CD2 3.48Å; A140-Y358 HydrophobicContact CB-CE2 4.01Å; A140-Y358 HydrophobicContact CB-CG 4.25Å
141S91.2Very high92.7Very high43 Ų4354.3 Ų54.330%0.30128%0.278SS..  trans-62.1128.9179.1-177.30000111.8K143 Y144 I145S141-K143 PolarHBondContact O-N 2.83Å; S141-K143 WeakPolarHBondContact OG-CB 3.13Å; S141-K143 PolarHBondContact OG-N 2.71Å; S141-Y144 PolarHBondContact O-N 2.88Å; S141-I145 PolarHBondContact O-N 2.94Å; S141-I145 VanDerWaalsContact O-N 3.11Å
142P90.7Very high92.7Very high78 Ų7854.2 Ų54.251%0.50628%0.279SS..THydrogen-bonded Turntrans-58.9-14.9172.1-2534.1000114.2F138 A140 Y144 I145 P148F138-P142 HydrophobicContact CD2-CG 4.07Å; F138-P142 HydrophobicContact CG-CG 4.48Å; A140-P142 WeakPolarHBondContact O-CD 3.37Å; P142-Y144 VanDerWaalsContact C-N 3.25Å; P142-Y144 PolarHBondContact O-N 2.88Å; P142-I145 CarbonylContact C-O 3.45Å; P142-I145 WeakPolarHBondContact CA-O 3.02Å; P142-I145 VanDerWaalsContact O-O 3.1Å; P142-P148 HydrophobicContact CB-CG 4.38Å; P142-P148 HydrophobicContact CG-CG 3.91Å
143K89.9Confident92.9Very high144 Ų14455.7 Ų55.763%0.62628%0.281SS*.THydrogen-bonded Turntrans-63.7-31.7170.6-176.9-173.2172.4-161.10112.1S141S141-K143 PolarHBondContact O-N 2.83Å; S141-K143 WeakPolarHBondContact OG-CB 3.13Å; S141-K143 PolarHBondContact OG-N 2.71Å
144Y91.9Very high93Very high22 Ų2250.1 Ų50.19%0.08625%0.251CS..THydrogen-bonded Turntrans-106.4-37.3-174-58.2-49.2000113S141 P142 S217 E350 R351 V354 R355S141-Y144 PolarHBondContact O-N 2.88Å; P142-Y144 VanDerWaalsContact C-N 3.25Å; P142-Y144 PolarHBondContact O-N 2.88Å; Y144-S217 WeakPolarHBondContact CE2-OG 3.21Å; Y144-E350 PolarHBondContact OH-OE1 3.43Å; Y144-E350 PolarHBondContact OH-OE2 3.37Å; Y144-R351 HydrophobicContact CD1-CB 3.96Å; Y144-R351 HydrophobicContact CD1-CG 3.84Å; Y144-R351 HydrophobicContact CE1-CB 4.19Å; Y144-V354 HydrophobicContact CD2-CB 4.21Å; Y144-V354 HydrophobicContact CD2-CG1 3.94Å; Y144-V354 HydrophobicContact CD2-CG2 4.08Å; Y144-V354 HydrophobicContact CE2-CG2 4.39Å; Y144-V354 HydrophobicContact CG-CB 4.39Å; Y144-V354 HydrophobicContact CG-CG1 4.23Å; Y144-R355 WeakPolarHBondContact O-CG 3.39Å
145I94.3Very high93.1Very high3 Ų348 Ų482%0.01524%0.238CC..SBendtrans-110.9134.8-178.1-51.6-53.1000109.2A140 S141 P142 P148 R355 Y358A140-I145 HydrophobicContact CB-CG1 3.6Å; S141-I145 PolarHBondContact O-N 2.94Å; S141-I145 VanDerWaalsContact O-N 3.11Å; P142-I145 CarbonylContact C-O 3.45Å; P142-I145 WeakPolarHBondContact CA-O 3.02Å; P142-I145 VanDerWaalsContact O-O 3.1Å; I145-P148 HydrophobicContact CB-CB 4.06Å; I145-P148 HydrophobicContact CG2-CB 3.95Å; I145-R355 HydrophobicContact CD1-CB 4.27Å; I145-R355 HydrophobicContact CD1-CG 3.72Å; I145-Y358 HydrophobicContact CD1-CD1 3.81Å; I145-Y358 HydrophobicContact CD1-CG 3.75Å; I145-Y358 HydrophobicContact CG1-CD1 3.96Å; I145-Y358 HydrophobicContact CG1-CD2 4.06Å; I145-Y358 HydrophobicContact CG1-CE1 4.48Å; I145-Y358 HydrophobicContact CG1-CG 3.75Å; I145-Y358 HydrophobicContact CG2-CD1 3.77Å; I145-Y358 HydrophobicContact CG2-CE1 3.53Å; I145-Y358 HydrophobicContact CG2-CE2 4.35Å; I145-Y358 HydrophobicContact CG2-CG 4.32Å
146H92.9Very high93.1Very high168 Ų16846.5 Ų46.578%0.77823%0.229SC*.SBendtrans-80.4124169.3175.3-76.8000108.5
147D91.5Very high92.9Very high136 Ų13652.7 Ų52.773%0.72725%0.252SS*.SBendtrans53.357.5178.3-159.934.3000113.5
148P94Very high92.9Very high7 Ų752.7 Ų52.75%0.04525%0.252CS..PPolyproline II helixtrans-62.815017827.3-33.1000111.5F138 A140 P142 I145 Y358F138-P148 HydrophobicContact CB-CB 4.14Å; F138-P148 HydrophobicContact CB-CG 3.76Å; F138-P148 HydrophobicContact CD1-CG 4.02Å; F138-P148 VanDerWaalsContact CD1-O 3.23Å; F138-P148 WeakPolarHBondContact CD1-O 3.1Å; F138-P148 HydrophobicContact CG-CG 3.96Å; A140-P148 WeakPolarHBondContact O-CB 3.45Å; A140-P148 VanDerWaalsContact O-CG 3.31Å; A140-P148 WeakPolarHBondContact O-CG 3.46Å; P142-P148 HydrophobicContact CB-CG 4.38Å; P142-P148 HydrophobicContact CG-CG 3.91Å; I145-P148 HydrophobicContact CB-CB 4.06Å; I145-P148 HydrophobicContact CG2-CB 3.95Å; P148-Y358 WeakPolarHBondContact CA-OH 3.43Å; P148-Y358 HydrophobicContact CB-CE2 4.18Å
149E94.8Very high92.8Very high86 Ų8651 Ų5140%0.40225%0.245SC..PPolyproline II helixtrans-58.1140.3176.3-71.8-169.7-179.100111.8F138 A139 N210 Y358F138-E149 CarbonylContact C-O 3.45Å; F138-E149 WeakPolarHBondContact CA-O 3.37Å; A139-E149 HydrophobicContact CB-CB 4.29Å; A139-E149 PolarHBondContact N-O 2.91Å; E149-N210 PolarHBondContact OE2-ND2 3.33Å; E149-Y358 PolarHBondContact N-OH 2.78Å
150L94.2Very high92.4Very high51 Ų5156.8 Ų56.827%0.26727%0.266SS..BIsolated β-bridgetrans-77.2127.4171.7-176.771.1000109.5D135 F138 E152D135-L150 HydrophobicContact CB-CD1 4.5Å; F138-L150 HydrophobicContact CD1-CB 4.42Å; F138-L150 HydrophobicContact CD1-CD1 4.26Å; F138-L150 HydrophobicContact CE1-CB 4.4Å; F138-L150 HydrophobicContact CE1-CD1 4.09Å; F138-L150 HydrophobicContact CZ-CD1 4.44Å; L150-E152 PolarHBondContact O-N 3.16Å
151I94.2Very high92.2Very high12 Ų1259.7 Ų59.76%0.06228%0.28CS..  trans-75.4110171.5-61.5161.4000108.2I137 A139 A154 L162 T198 V213I137-I151 HydrophobicContact CB-CD1 4.44Å; I137-I151 HydrophobicContact CG2-CD1 3.72Å; I137-I151 WeakPolarHBondContact O-CA 2.99Å; I137-I151 VanDerWaalsContact O-CB 3.25Å; I137-I151 WeakPolarHBondContact O-CB 3.25Å; I137-I151 PolarHBondContact O-N 3.14Å; A139-I151 HydrophobicContact CB-CG1 4.15Å; I151-A154 HydrophobicContact CG2-CB 3.89Å; I151-L162 HydrophobicContact CD1-CD1 4.14Å; I151-T198 HydrophobicContact CB-CG2 4.42Å; I151-T198 HydrophobicContact CG2-CG2 4.18Å; I151-T198 WeakPolarHBondContact O-CA 3.36Å; I151-T198 WeakPolarHBondContact O-CB 3.43Å; I151-T198 VanDerWaalsContact O-CG2 3.23Å; I151-T198 WeakPolarHBondContact O-CG2 3.3Å; I151-T198 PolarHBondContact O-OG1 2.92Å; I151-V213 HydrophobicContact CD1-CG1 3.81Å; I151-V213 VanDerWaalsContact CD1-O 3.31Å; I151-V213 WeakPolarHBondContact CD1-O 3.45Å; I151-V213 HydrophobicContact CG1-CG1 4.05Å; I151-V213 VanDerWaalsContact CG1-O 3.32Å; I151-V213 WeakPolarHBondContact CG1-O 3.3Å; I151-V213 HydrophobicContact CG2-CG1 3.66Å
152E94.6Very high92.1Very high93 Ų9357.7 Ų57.744%0.43527%0.266SS..SBendtrans-76-36.4176.4-70.1-172.7-169.500112.8L150 Q196 L199L150-E152 PolarHBondContact O-N 3.16Å; E152-Q196 VanDerWaalsContact CD-NE2 3.29Å; E152-Q196 PolarHBondContact OE2-NE2 3.17Å; E152-L199 PolarHBondContact O-N 3Å
153Y95.1Very high91.9Very high69 Ų6954.9 Ų54.927%0.27125%0.247SC..EExtended strand (participates in β ladder)trans-138.6116.7-173.3-56.2-71000111.8L199 F204 V207Y153-L199 WeakPolarHBondContact CA-O 3.4Å; Y153-L199 HydrophobicContact CD1-CB 4.04Å; Y153-L199 HydrophobicContact CD1-CD2 4.08Å; Y153-L199 HydrophobicContact CE1-CB 4.36Å; Y153-L199 HydrophobicContact CE1-CD2 3.98Å; Y153-F204 HydrophobicContact CD1-CD1 4.18Å; Y153-F204 AromaticContact CD1-CE1 3.54Å; Y153-F204 HydrophobicContact CD1-CE1 3.54Å; Y153-F204 HydrophobicContact CD1-CZ 4.04Å; Y153-F204 HydrophobicContact CE1-CE1 4.44Å; Y153-F204 HydrophobicContact CG-CE1 4.14Å; Y153-F204 HydrophobicContact CG-CZ 4.42Å; Y153-V207 HydrophobicContact CD1-CG1 4.32Å; Y153-V207 HydrophobicContact CD2-CG1 3.36Å; Y153-V207 HydrophobicContact CE1-CG1 4.42Å; Y153-V207 HydrophobicContact CE2-CG1 3.47Å; Y153-V207 VanDerWaalsContact CE2-CG1 3.47Å; Y153-V207 HydrophobicContact CG-CG1 3.8Å
154A93.5Very high91.5Very high0 Ų050.5 Ų50.50%023%0.227CC..EExtended strand (participates in β ladder)trans-131.8145.117800000111.6I151 E158 I159 T198 L199 I200 K201 F204 V213I151-A154 HydrophobicContact CG2-CB 3.89Å; A154-E158 WeakPolarHBondContact CA-OE2 3.35Å; A154-I159 HydrophobicContact CB-CD1 3.41Å; A154-I159 VanDerWaalsContact CB-CD1 3.41Å; A154-I159 HydrophobicContact CB-CG1 3.75Å; A154-T198 HydrophobicContact CB-CG2 4.27Å; A154-L199 PolarHBondContact N-O 3.31Å; A154-I200 WeakPolarHBondContact O-CA 3.44Å; A154-K201 PolarHBondContact O-N 2.71Å; A154-F204 VanDerWaalsContact O-CE2 3.31Å; A154-F204 WeakPolarHBondContact O-CE2 3.45Å; A154-V213 HydrophobicContact CB-CG1 4.33Å
155T93Very high91Very high0 Ų049.5 Ų49.50%022%0.223CC..EExtended strand (participates in β ladder)trans-83156.2170.773.80000111.5R157 E158 I159 K201 F204 E306T155-R157 PolarHBondContact O-N 3.01Å; T155-R157 VanDerWaalsContact O-N 3.1Å; T155-E158 PolarHBondContact N-OE2 2.81Å; T155-E158 PolarHBondContact O-N 2.85Å; T155-E158 VanDerWaalsContact O-N 3.08Å; T155-E158 WeakPolarHBondContact OG1-CG 3.32Å; T155-E158 PolarHBondContact OG1-N 2.7Å; T155-I159 PolarHBondContact O-N 3.34Å; T155-K201 CarbonylContact C-O 3.5Å; T155-K201 WeakPolarHBondContact CA-O 3.36Å; T155-F204 HydrophobicContact CG2-CD2 4Å; T155-F204 HydrophobicContact CG2-CE2 4.21Å; T155-E306 WeakPolarHBondContact CB-OE1 3.45Å; T155-E306 VanDerWaalsContact CG2-CD 3.44Å; T155-E306 VanDerWaalsContact CG2-OE1 3.32Å; T155-E306 WeakPolarHBondContact CG2-OE1 3.39Å; T155-E306 WeakPolarHBondContact CG2-OE2 3.44Å; T155-E306 PolarHBondContact OG1-OE1 2.67Å
156Y92Very high90.1Very high17 Ų1750.7 Ų50.77%0.06724%0.236CC..Hα-helixtrans-51.6-33.1171.6-80.1-67.9000113.2R160 L175 F179 I183 V185 I200 K201Y156-R160 WeakPolarHBondContact O-CB 3.2Å; Y156-R160 PolarHBondContact O-N 3.39Å; Y156-R160 VanDerWaalsContact O-N 3.1Å; Y156-L175 HydrophobicContact CD1-CB 4.31Å; Y156-L175 HydrophobicContact CD1-CD1 4.43Å; Y156-L175 HydrophobicContact CE1-CB 3.99Å; Y156-L175 HydrophobicContact CE1-CD1 4.16Å; Y156-F179 HydrophobicContact CD1-CB 3.91Å; Y156-F179 HydrophobicContact CD1-CD2 4.35Å; Y156-F179 HydrophobicContact CD1-CG 4.49Å; Y156-F179 HydrophobicContact CD2-CB 4.26Å; Y156-F179 AromaticContact CD2-CD2 3.58Å; Y156-F179 HydrophobicContact CD2-CD2 3.58Å; Y156-F179 HydrophobicContact CD2-CE2 4.45Å; Y156-F179 HydrophobicContact CD2-CG 4.39Å; Y156-F179 HydrophobicContact CE1-CB 4.07Å; Y156-F179 HydrophobicContact CE2-CB 4.39Å; Y156-F179 HydrophobicContact CE2-CD2 4.31Å; Y156-F179 HydrophobicContact CG-CB 4.01Å; Y156-F179 AromaticContact CG-CD2 3.59Å; Y156-F179 HydrophobicContact CG-CD2 3.59Å; Y156-F179 HydrophobicContact CG-CE2 4.48Å; Y156-F179 HydrophobicContact CG-CG 4.15Å; Y156-I183 PolarHBondContact OH-O 3.08Å; Y156-V185 HydrophobicContact CE1-CG2 4.34Å; Y156-V185 WeakPolarHBondContact OH-CG2 3.17Å; Y156-I200 HydrophobicContact CD1-CG2 3.64Å; Y156-I200 HydrophobicContact CD2-CG2 4.28Å; Y156-I200 HydrophobicContact CE1-CG2 3.76Å; Y156-I200 HydrophobicContact CE2-CG2 4.41Å; Y156-I200 HydrophobicContact CG-CG2 3.91Å; Y156-K201 VanDerWaalsContact CD2-C 3.44Å; Y156-K201 WeakPolarHBondContact CD2-O 3.34Å; Y156-K201 PolarHBondContact N-O 3.25Å
157R89Confident89.1Confident131 Ų13144 Ų4449%0.49421%0.205SC..Hα-helixtrans-70.9-45.8178.3-68.3-179172.5-166.7-4.1111.2T155 R160 E161 R339T155-R157 PolarHBondContact O-N 3.01Å; T155-R157 VanDerWaalsContact O-N 3.1Å; R157-R160 WeakPolarHBondContact O-CB 3.39Å; R157-R160 PolarHBondContact O-N 3.23Å; R157-E161 WeakPolarHBondContact O-CG 3.19Å; R157-E161 PolarHBondContact O-N 2.97Å; R157-E161 VanDerWaalsContact O-N 3.11Å; R157-R339 VanDerWaalsContact NH1-NH1 3.18Å
158E91.8Very high87.9Confident2 Ų243.7 Ų43.71%0.00921%0.208CC..Hα-helixtrans-62.6-43.4176.9-67.5164.2163.900111.9A154 T155 R160 E161 L162 R209 V213 V304 E306A154-E158 WeakPolarHBondContact CA-OE2 3.35Å; T155-E158 PolarHBondContact N-OE2 2.81Å; T155-E158 PolarHBondContact O-N 2.85Å; T155-E158 VanDerWaalsContact O-N 3.08Å; T155-E158 WeakPolarHBondContact OG1-CG 3.32Å; T155-E158 PolarHBondContact OG1-N 2.7Å; E158-R160 VanDerWaalsContact C-N 3.3Å; E158-R160 PolarHBondContact O-N 2.98Å; E158-E161 PolarHBondContact O-N 2.96Å; E158-L162 WeakPolarHBondContact O-CG 3.2Å; E158-L162 PolarHBondContact O-N 3.49Å; E158-R209 IonicContact OE1-CZ 3.97Å; E158-R209 IonicContact OE1-NH2 3.77Å; E158-R209 PolarHBondContact OE1-NH2 3.04Å; E158-R209 IonicContact OE2-CZ 2.99Å; E158-R209 IonicContact OE2-NH2 3.62Å; E158-R209 PolarHBondContact OE2-NH2 3.16Å; E158-V213 WeakPolarHBondContact OE1-CG2 3.34Å; E158-V304 HydrophobicContact CB-CG1 3.9Å; E158-V304 HydrophobicContact CG-CG1 4.08Å; E158-E306 HydrophobicContact CG-CG 4.13Å; E158-E306 VanDerWaalsContact OE1-CB 3.28Å; E158-E306 WeakPolarHBondContact OE1-CB 3.45Å; E158-E306 WeakPolarHBondContact OE1-CG 3.23Å; E158-E306 PolarHBondContact OE1-N 2.99Å
159I90.7Very high86.6Confident7 Ų744.8 Ų44.84%0.03622%0.215CC..Hα-helixtrans-61.5-40.5176.4-63.5-48.7000111.3I137 A154 T155 E161 L162 T163 F170 L175 I200I137-I159 HydrophobicContact CD1-CD1 3.51Å; I137-I159 HydrophobicContact CD1-CG1 4.28Å; I137-I159 HydrophobicContact CG2-CD1 4.31Å; A154-I159 HydrophobicContact CB-CD1 3.41Å; A154-I159 VanDerWaalsContact CB-CD1 3.41Å; A154-I159 HydrophobicContact CB-CG1 3.75Å; T155-I159 PolarHBondContact O-N 3.34Å; I159-E161 PolarHBondContact O-N 3.29Å; I159-L162 HydrophobicContact CD1-CD1 4.33Å; I159-L162 PolarHBondContact O-N 3.1Å; I159-T163 WeakPolarHBondContact O-CB 3.49Å; I159-T163 PolarHBondContact O-N 2.9Å; I159-T163 PolarHBondContact O-OG1 3.21Å; I159-F170 HydrophobicContact CG2-CD2 4.46Å; I159-L175 HydrophobicContact CG2-CD1 4.36Å; I159-I200 HydrophobicContact CG1-CD1 3.88Å; I159-I200 HydrophobicContact CG1-CG1 3.99Å; I159-I200 HydrophobicContact CG1-CG2 4.09Å
160R87.7Confident85.4Confident124 Ų12441.2 Ų41.247%0.46820%0.198SC..Hα-helixtrans-59.6-44.9175.8-178.6175.8175.385.82.5112.1Y156 R157 E158 Y164Y156-R160 WeakPolarHBondContact O-CB 3.2Å; Y156-R160 PolarHBondContact O-N 3.39Å; Y156-R160 VanDerWaalsContact O-N 3.1Å; R157-R160 WeakPolarHBondContact O-CB 3.39Å; R157-R160 PolarHBondContact O-N 3.23Å; E158-R160 VanDerWaalsContact C-N 3.3Å; E158-R160 PolarHBondContact O-N 2.98Å; R160-Y164 VanDerWaalsContact O-CB 3.27Å; R160-Y164 WeakPolarHBondContact O-CB 3.34Å; R160-Y164 PolarHBondContact O-N 2.94Å
161E88.6Confident84.3Confident60 Ų6041.8 Ų41.828%0.2820%0.199SC..Hα-helixtrans-67.9-39.6178.5-63.2-70.1140.800112.1R157 E158 I159 Y164 A165 V304 S340R157-E161 WeakPolarHBondContact O-CG 3.19Å; R157-E161 PolarHBondContact O-N 2.97Å; R157-E161 VanDerWaalsContact O-N 3.11Å; E158-E161 PolarHBondContact O-N 2.96Å; I159-E161 PolarHBondContact O-N 3.29Å; E161-Y164 WeakPolarHBondContact O-CB 3.23Å; E161-A165 PolarHBondContact O-N 2.94Å; E161-V304 HydrophobicContact CB-CB 4.45Å; E161-V304 HydrophobicContact CB-CG1 3.79Å; E161-V304 HydrophobicContact CB-CG2 3.72Å; E161-V304 HydrophobicContact CG-CG1 4.47Å; E161-S340 WeakPolarHBondContact OE2-CB 3.19Å; E161-S340 PolarHBondContact OE2-OG 3.46Å
162L90.4Very high83Confident2 Ų244.6 Ų44.61%0.0121%0.214CC..Hα-helixtrans-65.2-48.7176.2-72.2170.8000111.4I151 E158 I159 Y164 A165 G166 F167 A216 V304I151-L162 HydrophobicContact CD1-CD1 4.14Å; E158-L162 WeakPolarHBondContact O-CG 3.2Å; E158-L162 PolarHBondContact O-N 3.49Å; I159-L162 HydrophobicContact CD1-CD1 4.33Å; I159-L162 PolarHBondContact O-N 3.1Å; L162-Y164 VanDerWaalsContact C-N 3.31Å; L162-Y164 PolarHBondContact O-N 2.79Å; L162-A165 CarbonylContact O-C 3.47Å; L162-A165 PolarHBondContact O-N 3.44Å; L162-A165 VanDerWaalsContact O-N 3.14Å; L162-G166 PolarHBondContact O-N 2.78Å; L162-F167 VanDerWaalsContact C-CB 3.46Å; L162-F167 HydrophobicContact CB-CB 4.16Å; L162-F167 HydrophobicContact CB-CG 4.45Å; L162-F167 WeakPolarHBondContact O-CB 3.44Å; L162-F167 PolarHBondContact O-N 2.79Å; L162-F167 VanDerWaalsContact O-N 3.16Å; L162-A216 HydrophobicContact CD2-CB 3.84Å; L162-V304 HydrophobicContact CD2-CB 3.88Å; L162-V304 HydrophobicContact CD2-CG2 3.86Å; L162-V304 HydrophobicContact CG-CB 4.05Å; L162-V304 HydrophobicContact CG-CG1 4.21Å; L162-V304 HydrophobicContact CG-CG2 4.15Å
163T85.7Confident82.1Confident19 Ų1943.8 Ų43.812%0.11721%0.21CC..Hα-helixtrans-59.2-42.8177.1-71.30000111.7I159 A165 G166 F167 F170 D172I159-T163 WeakPolarHBondContact O-CB 3.49Å; I159-T163 PolarHBondContact O-N 2.9Å; I159-T163 PolarHBondContact O-OG1 3.21Å; T163-A165 VanDerWaalsContact C-N 3.26Å; T163-A165 PolarHBondContact O-N 3Å; T163-G166 PolarHBondContact O-N 3.22Å; T163-G166 VanDerWaalsContact O-N 3.08Å; T163-F167 WeakPolarHBondContact CA-O 3.47Å; T163-F170 WeakPolarHBondContact CG2-O 3.09Å; T163-D172 HydrophobicContact CG2-CB 4.17Å
164Y81.8Confident81.6Confident52 Ų5240.5 Ų40.520%0.20420%0.198CC..Hα-helixtrans-54.1-44174.8172-102.8000112.6R160 E161 L162 G166 E253 H254R160-Y164 VanDerWaalsContact O-CB 3.27Å; R160-Y164 WeakPolarHBondContact O-CB 3.34Å; R160-Y164 PolarHBondContact O-N 2.94Å; E161-Y164 WeakPolarHBondContact O-CB 3.23Å; L162-Y164 VanDerWaalsContact C-N 3.31Å; L162-Y164 PolarHBondContact O-N 2.79Å; Y164-G166 PolarHBondContact O-N 2.62Å; Y164-E253 WeakPolarHBondContact CE2-OE2 3.46Å; Y164-E253 VanDerWaalsContact OH-CB 3.26Å; Y164-E253 WeakPolarHBondContact OH-CB 3.25Å; Y164-E253 PolarHBondContact OH-OE2 2.91Å; Y164-H254 AromaticContact CE1-NE2 3.71Å; Y164-H254 AromaticContact CZ-NE2 3.94Å; Y164-H254 PolarHBondContact OH-NE2 3.17Å
165A81Confident81.4Confident0 Ų041 Ų410%020%0.201CC..THydrogen-bonded Turntrans-85.829.4178.500000113.4E161 L162 T163 A216 S217 D218 A302E161-A165 PolarHBondContact O-N 2.94Å; L162-A165 CarbonylContact O-C 3.47Å; L162-A165 PolarHBondContact O-N 3.44Å; L162-A165 VanDerWaalsContact O-N 3.14Å; T163-A165 VanDerWaalsContact C-N 3.26Å; T163-A165 PolarHBondContact O-N 3Å; A165-A216 HydrophobicContact CB-CB 3.71Å; A165-A216 CarbonylContact O-C 3.56Å; A165-A216 WeakPolarHBondContact O-CB 3.5Å; A165-S217 CarbonylContact O-C 3.58Å; A165-S217 WeakPolarHBondContact O-CA 3.05Å; A165-S217 PolarHBondContact O-N 3.25Å; A165-D218 PolarHBondContact O-N 3.31Å; A165-A302 HydrophobicContact CB-CB 3.5Å; A165-A302 VanDerWaalsContact CB-CB 3.5Å
166G75Confident81.2Confident28 Ų2843.9 Ų43.929%0.28922%0.215SC..THydrogen-bonded Turntrans97.88.3167.200000116L162 T163 Y164L162-G166 PolarHBondContact O-N 2.78Å; T163-G166 PolarHBondContact O-N 3.22Å; T163-G166 VanDerWaalsContact O-N 3.08Å; Y164-G166 PolarHBondContact O-N 2.62Å
167F72.1Confident81.3Confident27 Ų2743.7 Ų43.712%0.11822%0.215CC..  trans-76.8123.9175.5-146.8-83000111.4I137 F138 L162 T163 V169I137-F167 HydrophobicContact CB-CE1 4.16Å; I137-F167 HydrophobicContact CB-CZ 4.4Å; I137-F167 HydrophobicContact CG1-CE1 4.45Å; I137-F167 HydrophobicContact CG2-CD1 4.05Å; I137-F167 HydrophobicContact CG2-CE1 3.31Å; I137-F167 HydrophobicContact CG2-CE2 4.27Å; I137-F167 HydrophobicContact CG2-CZ 3.44Å; I137-F167 VanDerWaalsContact CG2-CZ 3.44Å; F138-F167 WeakPolarHBondContact O-CE2 3.34Å; F138-F167 WeakPolarHBondContact O-CZ 3.48Å; L162-F167 VanDerWaalsContact C-CB 3.46Å; L162-F167 HydrophobicContact CB-CB 4.16Å; L162-F167 HydrophobicContact CB-CG 4.45Å; L162-F167 WeakPolarHBondContact O-CB 3.44Å; L162-F167 PolarHBondContact O-N 2.79Å; L162-F167 VanDerWaalsContact O-N 3.16Å; T163-F167 WeakPolarHBondContact CA-O 3.47Å; F167-V169 HydrophobicContact CD1-CB 4.33Å; F167-V169 HydrophobicContact CD1-CG2 4.11Å; F167-V169 HydrophobicContact CE1-CB 4.24Å; F167-V169 HydrophobicContact CE1-CG2 3.63Å
168T67.1Low81.6Confident131 Ų13137.4 Ų37.480%0.80419%0.192SC*.  trans-100.31.9-163.556.20000116.4F170T168-F170 VanDerWaalsContact C-N 3.26Å; T168-F170 PolarHBondContact O-N 3.14Å
169V66.8Low81.6Confident30 Ų3040.8 Ų40.818%0.18221%0.206CC..SBendtrans-66.7-30.4-178.7176.50000111.8V134 I137 F167 I187V134-V169 HydrophobicContact CG2-CG2 4.45Å; I137-V169 HydrophobicContact CG1-CB 4.44Å; I137-V169 HydrophobicContact CG1-CG1 4.26Å; F167-V169 HydrophobicContact CD1-CB 4.33Å; F167-V169 HydrophobicContact CD1-CG2 4.11Å; F167-V169 HydrophobicContact CE1-CB 4.24Å; F167-V169 HydrophobicContact CE1-CG2 3.63Å; V169-I187 HydrophobicContact CG1-CG2 4.19Å
170F69Low81.8Confident10 Ų1047.5 Ų47.54%0.04424%0.235CC..SBendtrans-130.9152.1174.1-75.2-68.3000112.3D113 N130 I159 T163 T168 A174 L175 V185 I187 I200D113-F170 HydrophobicContact CB-CD1 4.11Å; D113-F170 HydrophobicContact CB-CE1 4.08Å; N130-F170 HydrophobicContact CB-CZ 4.27Å; I159-F170 HydrophobicContact CG2-CD2 4.46Å; T163-F170 WeakPolarHBondContact CG2-O 3.09Å; T168-F170 VanDerWaalsContact C-N 3.26Å; T168-F170 PolarHBondContact O-N 3.14Å; F170-A174 HydrophobicContact CD1-CB 4.14Å; F170-L175 HydrophobicContact CD1-CD1 4.39Å; F170-L175 HydrophobicContact CD1-CD2 3.99Å; F170-L175 HydrophobicContact CD1-CG 3.97Å; F170-L175 HydrophobicContact CD2-CD1 3.8Å; F170-L175 HydrophobicContact CD2-CG 4.28Å; F170-L175 HydrophobicContact CE1-CD1 4.37Å; F170-L175 HydrophobicContact CE1-CD2 3.57Å; F170-L175 HydrophobicContact CE1-CG 4.03Å; F170-L175 HydrophobicContact CE2-CD1 3.77Å; F170-L175 HydrophobicContact CE2-CD2 4.34Å; F170-L175 HydrophobicContact CE2-CG 4.32Å; F170-L175 HydrophobicContact CG-CD1 4.1Å; F170-L175 HydrophobicContact CG-CG 4.08Å; F170-L175 HydrophobicContact CZ-CD1 4.05Å; F170-L175 HydrophobicContact CZ-CD2 3.74Å; F170-L175 HydrophobicContact CZ-CG 4.18Å; F170-V185 HydrophobicContact CZ-CG1 4.5Å; F170-I187 HydrophobicContact CE1-CD1 4.49Å; F170-I187 HydrophobicContact CE2-CD1 3.21Å; F170-I187 HydrophobicContact CE2-CG1 3.9Å; F170-I187 HydrophobicContact CZ-CD1 3.16Å; F170-I187 HydrophobicContact CZ-CG1 4.3Å; F170-I200 HydrophobicContact CE2-CD1 4.13Å
171H71.1Confident82.1Confident64 Ų6443.7 Ų43.730%0.29623%0.23SC..  trans-75.5146.1156.2-162.3-88.1000109.7R109 E173 A174R109-H171 VanDerWaalsContact O-CB 3.24Å; R109-H171 WeakPolarHBondContact O-CB 3.26Å; R109-H171 VanDerWaalsContact O-CG 3.28Å; H171-E173 PolarHBondContact O-N 2.76Å; H171-E173 VanDerWaalsContact O-N 3.08Å; H171-A174 HydrophobicContact CB-CB 4.33Å; H171-A174 WeakPolarHBondContact O-CB 3.09Å; H171-A174 PolarHBondContact O-N 3.01Å
172D68Low82.4Confident70 Ų7046.7 Ų46.737%0.37424%0.244SC..THydrogen-bonded Turntrans-55.6-28.9-171.864.4-16000115.3T163T163-D172 HydrophobicContact CG2-CB 4.17Å
173E74.1Confident82.8Confident76 Ų7646.9 Ų46.936%0.35525%0.245SC..THydrogen-bonded Turntrans-97.7-11.3179.5-68.8-175.7169.200114.3H171 L175 M176H171-E173 PolarHBondContact O-N 2.76Å; H171-E173 VanDerWaalsContact O-N 3.08Å; E173-L175 VanDerWaalsContact C-N 3.3Å; E173-L175 PolarHBondContact O-N 3.09Å; E173-M176 WeakPolarHBondContact O-CB 3.31Å; E173-M176 PolarHBondContact O-N 2.94Å
174A85.5Confident83.3Confident0 Ų047.2 Ų47.20%025%0.248CC..THydrogen-bonded Turntrans-59.8-39.4-171.300000113.5D113 I114 S117 F170 H171D113-A174 HydrophobicContact CB-CB 3.79Å; I114-A174 HydrophobicContact CG1-CB 3.98Å; S117-A174 WeakPolarHBondContact CB-O 3.14Å; S117-A174 PolarHBondContact OG-O 3.22Å; F170-A174 HydrophobicContact CD1-CB 4.14Å; H171-A174 HydrophobicContact CB-CB 4.33Å; H171-A174 WeakPolarHBondContact O-CB 3.09Å; H171-A174 PolarHBondContact O-N 3.01Å
175L88.1Confident84Confident12 Ų1244.8 Ų44.86%0.06324%0.238CC..THydrogen-bonded Turntrans-87.9-1.3-179.4-63.5-173.5000114Y128 Y156 I159 F170 E173 A178 F179 V185 I200Y128-L175 HydrophobicContact CE1-CD2 4.37Å; Y156-L175 HydrophobicContact CD1-CB 4.31Å; Y156-L175 HydrophobicContact CD1-CD1 4.43Å; Y156-L175 HydrophobicContact CE1-CB 3.99Å; Y156-L175 HydrophobicContact CE1-CD1 4.16Å; I159-L175 HydrophobicContact CG2-CD1 4.36Å; F170-L175 HydrophobicContact CD1-CD1 4.39Å; F170-L175 HydrophobicContact CD1-CD2 3.99Å; F170-L175 HydrophobicContact CD1-CG 3.97Å; F170-L175 HydrophobicContact CD2-CD1 3.8Å; F170-L175 HydrophobicContact CD2-CG 4.28Å; F170-L175 HydrophobicContact CE1-CD1 4.37Å; F170-L175 HydrophobicContact CE1-CD2 3.57Å; F170-L175 HydrophobicContact CE1-CG 4.03Å; F170-L175 HydrophobicContact CE2-CD1 3.77Å; F170-L175 HydrophobicContact CE2-CD2 4.34Å; F170-L175 HydrophobicContact CE2-CG 4.32Å; F170-L175 HydrophobicContact CG-CD1 4.1Å; F170-L175 HydrophobicContact CG-CG 4.08Å; F170-L175 HydrophobicContact CZ-CD1 4.05Å; F170-L175 HydrophobicContact CZ-CD2 3.74Å; F170-L175 HydrophobicContact CZ-CG 4.18Å; E173-L175 VanDerWaalsContact C-N 3.3Å; E173-L175 PolarHBondContact O-N 3.09Å; L175-A178 PolarHBondContact O-N 3.27Å; L175-F179 WeakPolarHBondContact O-CB 3.5Å; L175-F179 PolarHBondContact O-N 2.49Å; L175-V185 HydrophobicContact CD2-CG1 4.13Å; L175-V185 HydrophobicContact CD2-CG2 4.13Å; L175-I200 HydrophobicContact CD1-CD1 3.92Å
176M89.7Confident84.7Confident60 Ų6046 Ų4630%0.29624%0.244SC..Hα-helixtrans-58.3-44.1-174.8-172.174.267.300113.4E173 F179 K180E173-M176 WeakPolarHBondContact O-CB 3.31Å; E173-M176 PolarHBondContact O-N 2.94Å; M176-F179 PolarHBondContact O-N 3.01Å; M176-F179 HydrophobicContact SD-CD1 4.16Å; M176-K180 WeakPolarHBondContact O-CG 3.32Å; M176-K180 PolarHBondContact O-N 3.38Å
177P94Very high85.7Confident12 Ų1244.7 Ų44.78%0.07823%0.231CC..Hα-helixtrans-58.5-50.5175.2-23.832.3000113.4S117 I118 A121 F179 K180 A181S117-P177 VanDerWaalsContact OG-CD 3.3Å; S117-P177 WeakPolarHBondContact OG-CD 3.33Å; I118-P177 HydrophobicContact CG1-CB 4.27Å; I118-P177 HydrophobicContact CG1-CG 3.78Å; A121-P177 HydrophobicContact CB-CB 4Å; P177-F179 VanDerWaalsContact C-N 3.33Å; P177-F179 PolarHBondContact O-N 3.37Å; P177-K180 PolarHBondContact O-N 3.45Å; P177-A181 WeakPolarHBondContact O-CB 3.41Å; P177-A181 PolarHBondContact O-N 3.22Å
178A94.4Very high86.8Confident0 Ų044.6 Ų44.60%023%0.23CC..Hα-helixtrans-60.7-40.8177.200000112.2S117 Y128 L175 A181 Q182 I183 V185S117-A178 WeakPolarHBondContact OG-CB 3.2Å; S117-A178 PolarHBondContact OG-N 3.44Å; Y128-A178 HydrophobicContact CD1-CB 4.48Å; L175-A178 PolarHBondContact O-N 3.27Å; A178-A181 CarbonylContact O-C 3.48Å; A178-A181 PolarHBondContact O-N 2.97Å; A178-Q182 PolarHBondContact O-N 2.62Å; A178-I183 HydrophobicContact CB-CB 4.41Å; A178-I183 PolarHBondContact O-N 3.25Å; A178-V185 HydrophobicContact CB-CG2 3.91Å
179F93.4Very high88.2Confident72 Ų7239.1 Ų39.132%0.31620%0.196SC..Hα-helixtrans-60-48.3174.7168.7-114.7000112.4Y156 L175 M176 P177 A181 Q182Y156-F179 HydrophobicContact CD1-CB 3.91Å; Y156-F179 HydrophobicContact CD1-CD2 4.35Å; Y156-F179 HydrophobicContact CD1-CG 4.49Å; Y156-F179 HydrophobicContact CD2-CB 4.26Å; Y156-F179 AromaticContact CD2-CD2 3.58Å; Y156-F179 HydrophobicContact CD2-CD2 3.58Å; Y156-F179 HydrophobicContact CD2-CE2 4.45Å; Y156-F179 HydrophobicContact CD2-CG 4.39Å; Y156-F179 HydrophobicContact CE1-CB 4.07Å; Y156-F179 HydrophobicContact CE2-CB 4.39Å; Y156-F179 HydrophobicContact CE2-CD2 4.31Å; Y156-F179 HydrophobicContact CG-CB 4.01Å; Y156-F179 AromaticContact CG-CD2 3.59Å; Y156-F179 HydrophobicContact CG-CD2 3.59Å; Y156-F179 HydrophobicContact CG-CE2 4.48Å; Y156-F179 HydrophobicContact CG-CG 4.15Å; L175-F179 WeakPolarHBondContact O-CB 3.5Å; L175-F179 PolarHBondContact O-N 2.49Å; M176-F179 PolarHBondContact O-N 3.01Å; M176-F179 HydrophobicContact SD-CD1 4.16Å; P177-F179 VanDerWaalsContact C-N 3.33Å; P177-F179 PolarHBondContact O-N 3.37Å; F179-A181 VanDerWaalsContact C-N 3.29Å; F179-A181 PolarHBondContact O-N 3.32Å; F179-Q182 PolarHBondContact O-N 2.66Å
180K93.9Very high89.5Confident148 Ų14841.8 Ų41.864%0.64321%0.213SC*.Hα-helixtrans-60.5-40.5177.4-75.8-179.9178-178.80111.5M176 P177 Q182M176-K180 WeakPolarHBondContact O-CG 3.32Å; M176-K180 PolarHBondContact O-N 3.38Å; P177-K180 PolarHBondContact O-N 3.45Å; K180-Q182 PolarHBondContact O-N 2.94Å
181A95.2Very high90.8Very high44 Ų4447.7 Ų47.736%0.36425%0.245SC..THydrogen-bonded Turntrans-76.6-2.9175.900000113.9A121 P177 A178 F179 I183A121-A181 HydrophobicContact CB-CB 3.75Å; P177-A181 WeakPolarHBondContact O-CB 3.41Å; P177-A181 PolarHBondContact O-N 3.22Å; A178-A181 CarbonylContact O-C 3.48Å; A178-A181 PolarHBondContact O-N 2.97Å; F179-A181 VanDerWaalsContact C-N 3.29Å; F179-A181 PolarHBondContact O-N 3.32Å; A181-I183 HydrophobicContact CB-CD1 3.76Å; A181-I183 HydrophobicContact CB-CG1 3.81Å; A181-I183 PolarHBondContact O-N 2.93Å
182Q95Very high92Very high123 Ų12347.8 Ų47.858%0.57525%0.247SC*.THydrogen-bonded Turntrans56.327.5-176.1-56.9-176.2-2200114.2A178 F179 K180A178-Q182 PolarHBondContact O-N 2.62Å; F179-Q182 PolarHBondContact O-N 2.66Å; K180-Q182 PolarHBondContact O-N 2.94Å
183I97.3Very high93.3Very high7 Ų747.5 Ų47.54%0.03625%0.249CC..  trans-80.4130.3179.1-65.2176.9000108.2A120 V125 Y156 A178 A181A120-I183 HydrophobicContact CB-CD1 4.27Å; A120-I183 WeakPolarHBondContact O-CD1 3.2Å; V125-I183 HydrophobicContact CG2-CD1 4.15Å; V125-I183 HydrophobicContact CG2-CG2 3.92Å; V125-I183 WeakPolarHBondContact O-CG1 3.42Å; Y156-I183 PolarHBondContact OH-O 3.08Å; A178-I183 HydrophobicContact CB-CB 4.41Å; A178-I183 PolarHBondContact O-N 3.25Å; A181-I183 HydrophobicContact CB-CD1 3.76Å; A181-I183 HydrophobicContact CB-CG1 3.81Å; A181-I183 PolarHBondContact O-N 2.93Å
184P97.1Very high94.3Very high26 Ų2652.2 Ų52.217%0.16927%0.271CS..  trans-62.6143.3168.4-24.435.3000112.5D126 L127 Y128 L199 I200 K201D126-P184 WeakPolarHBondContact O-CD 3.34Å; L127-P184 HydrophobicContact CD1-CB 3.93Å; Y128-P184 PolarHBondContact N-O 3.16Å; P184-L199 HydrophobicContact CB-CD1 4.33Å; P184-I200 WeakPolarHBondContact CA-O 3.18Å; P184-K201 HydrophobicContact CB-CD 4.28Å; P184-K201 HydrophobicContact CB-CG 3.81Å; P184-K201 HydrophobicContact CG-CD 4.23Å; P184-K201 HydrophobicContact CG-CG 4.08Å
185V96.2Very high94.8Very high0 Ų053.3 Ų53.30%028%0.279CS..EExtended strand (participates in β ladder)trans-116.8138.3172.8174.20000108.8Y128 Y156 F170 L175 A178 I187 I200Y128-V185 HydrophobicContact CD1-CG1 4.31Å; Y128-V185 HydrophobicContact CD1-CG2 3.66Å; Y128-V185 HydrophobicContact CG-CG2 4.22Å; Y128-V185 CarbonylContact O-C 3.6Å; Y128-V185 VanDerWaalsContact O-CA 3.23Å; Y128-V185 WeakPolarHBondContact O-CA 3.37Å; Y156-V185 HydrophobicContact CE1-CG2 4.34Å; Y156-V185 WeakPolarHBondContact OH-CG2 3.17Å; F170-V185 HydrophobicContact CZ-CG1 4.5Å; L175-V185 HydrophobicContact CD2-CG1 4.13Å; L175-V185 HydrophobicContact CD2-CG2 4.13Å; A178-V185 HydrophobicContact CB-CG2 3.91Å; V185-I187 HydrophobicContact CG1-CD1 3.78Å; V185-I200 HydrophobicContact CB-CB 4.26Å; V185-I200 HydrophobicContact CG1-CD1 4.43Å; V185-I200 PolarHBondContact N-O 3.47Å; V185-I200 WeakPolarHBondContact O-CA 3.42Å; V185-I200 PolarHBondContact O-N 3.24Å
186I96.5Very high95Very high26 Ų2657 Ų5713%0.13330%0.296CS..EExtended strand (participates in β ladder)trans-122.7130.6171.5-167.3168.1000110.4L127 Y128 E129 N130 K188 Q196 T198 L199L127-I186 HydrophobicContact CD1-CB 4.22Å; L127-I186 HydrophobicContact CD1-CG2 3.96Å; L127-I186 HydrophobicContact CD2-CG2 4.04Å; L127-I186 HydrophobicContact CG-CG2 4.17Å; Y128-I186 PolarHBondContact O-N 3.08Å; E129-I186 HydrophobicContact CB-CG2 3.91Å; E129-I186 HydrophobicContact CG-CG2 3.6Å; N130-I186 PolarHBondContact N-O 3.14Å; I186-K188 HydrophobicContact CD1-CD 4.08Å; I186-K188 HydrophobicContact CG1-CD 4.02Å; I186-K188 HydrophobicContact CG1-CG 4.25Å; I186-K188 HydrophobicContact CG2-CD 4.47Å; I186-K188 HydrophobicContact CG2-CG 4.07Å; I186-Q196 WeakPolarHBondContact CD1-O 3.43Å; I186-T198 CarbonylContact C-O 3.56Å; I186-T198 WeakPolarHBondContact CA-O 3.45Å; I186-L199 HydrophobicContact CB-CD1 4.24Å
187I95.2Very high95.3Very high0 Ų054.1 Ų54.10%028%0.282CS..EExtended strand (participates in β ladder)trans-92.6126178.4-47.2-48.2000108.3N130 T132 I137 V169 F170 V185 G197 T198 I200N130-I187 HydrophobicContact CB-CD1 3.93Å; T132-I187 HydrophobicContact CG2-CG2 3.78Å; I137-I187 HydrophobicContact CD1-CG1 4.15Å; I137-I187 HydrophobicContact CG1-CG1 4.21Å; V169-I187 HydrophobicContact CG1-CG2 4.19Å; F170-I187 HydrophobicContact CE1-CD1 4.49Å; F170-I187 HydrophobicContact CE2-CD1 3.21Å; F170-I187 HydrophobicContact CE2-CG1 3.9Å; F170-I187 HydrophobicContact CZ-CD1 3.16Å; F170-I187 HydrophobicContact CZ-CG1 4.3Å; V185-I187 HydrophobicContact CG1-CD1 3.78Å; I187-G197 VanDerWaalsContact O-CA 3.28Å; I187-G197 WeakPolarHBondContact O-CA 3.37Å; I187-T198 PolarHBondContact N-O 3.36Å; I187-T198 PolarHBondContact O-N 2.83Å; I187-I200 HydrophobicContact CD1-CD1 4.09Å; I187-I200 HydrophobicContact CG1-CD1 3.99Å
188K95.6Very high95.4Very high26 Ų2653.6 Ų53.611%0.11328%0.278CS..EExtended strand (participates in β ladder)trans-132.9154-170.7-63.6-73.2-68.7-171.70110.2N130 F131 T132 I186 P193 C195N130-K188 PolarHBondContact O-N 3.41Å; F131-K188 CarbonylContact C-O 3.2Å; F131-K188 WeakPolarHBondContact CA-O 3.45Å; F131-K188 HydrophobicContact CD1-CB 3.66Å; F131-K188 HydrophobicContact CD2-CB 4.38Å; F131-K188 HydrophobicContact CE1-CB 3.62Å; F131-K188 HydrophobicContact CE1-CG 4.36Å; F131-K188 HydrophobicContact CE2-CB 4.35Å; F131-K188 HydrophobicContact CG-CB 4.06Å; F131-K188 HydrophobicContact CZ-CB 3.99Å; F131-K188 HydrophobicContact CZ-CG 4.26Å; T132-K188 PolarHBondContact N-O 3Å; I186-K188 HydrophobicContact CD1-CD 4.08Å; I186-K188 HydrophobicContact CG1-CD 4.02Å; I186-K188 HydrophobicContact CG1-CG 4.25Å; I186-K188 HydrophobicContact CG2-CD 4.47Å; I186-K188 HydrophobicContact CG2-CG 4.07Å; K188-P193 WeakPolarHBondContact CE-O 3.47Å; K188-P193 PolarHBondContact NZ-O 3.29Å; K188-C195 PolarHBondContact NZ-O 3.42Å
189N95.4Very high95.4Very high15 Ų1555.1 Ų55.18%0.0829%0.286CS..EExtended strand (participates in β ladder)trans-97.3125.2174.8-167.6-19.1000111.2V134 D135 N191 N192 P193V134-N189 WeakPolarHBondContact O-CA 3.49Å; V134-N189 VanDerWaalsContact O-CB 3.28Å; V134-N189 WeakPolarHBondContact O-CB 3.43Å; D135-N189 WeakPolarHBondContact OD1-CB 3.3Å; D135-N189 PolarHBondContact OD1-ND2 3.33Å; N189-N191 PolarHBondContact O-N 3.21Å; N189-N191 WeakPolarHBondContact OD1-CB 3.17Å; N189-N191 PolarHBondContact OD1-N 2.87Å; N189-N192 HydrophobicContact CB-CB 3.97Å; N189-N192 CarbonylContact O-C 3.56Å; N189-N192 PolarHBondContact O-N 3.45Å; N189-N192 VanDerWaalsContact O-N 3.15Å; N189-P193 WeakPolarHBondContact O-CA 3.44Å
190T95Very high95.5Very high87 Ų8751.7 Ų51.753%0.53427%0.271SS..THydrogen-bonded Turntrans-57.4-35.2172.9-53.90000112T132T132-T190 PolarHBondContact O-N 3.2Å; T132-T190 PolarHBondContact O-OG1 3.11Å
191N96.2Very high95.5Very high133 Ų13348.2 Ų48.271%0.71126%0.256SS*.THydrogen-bonded Turntrans-89.5-8.3-178.4-58.1-63.9000113.5N189N189-N191 PolarHBondContact O-N 3.21Å; N189-N191 WeakPolarHBondContact OD1-CB 3.17Å; N189-N191 PolarHBondContact OD1-N 2.87Å
192N96.8Very high95.4Very high66 Ų6651.5 Ų51.535%0.35326%0.262SS..BIsolated β-bridgetrans-14564.8178.8-173.217.9000110.4D135 N189 E194 C195D135-N192 WeakPolarHBondContact OD1-CB 3.17Å; D135-N192 PolarHBondContact OD1-ND2 3.03Å; D135-N192 VanDerWaalsContact OD1-ND2 3.15Å; D135-N192 PolarHBondContact OD2-ND2 2.9Å; N189-N192 HydrophobicContact CB-CB 3.97Å; N189-N192 CarbonylContact O-C 3.56Å; N189-N192 PolarHBondContact O-N 3.45Å; N189-N192 VanDerWaalsContact O-N 3.15Å; N192-E194 PolarHBondContact O-N 3.27Å; N192-C195 WeakPolarHBondContact O-CB 3.35Å; N192-C195 PolarHBondContact O-N 2.96Å; N192-C195 VanDerWaalsContact O-N 3.12Å
193P94.4Very high95.3Very high64 Ų6449 Ų4942%0.41626%0.258SS..THydrogen-bonded Turntrans-66.7-20.1-169.126.3-35.8000114.1F131 K188 N189 C195F131-P193 HydrophobicContact CE1-CB 4.35Å; K188-P193 WeakPolarHBondContact CE-O 3.47Å; K188-P193 PolarHBondContact NZ-O 3.29Å; N189-P193 WeakPolarHBondContact O-CA 3.44Å; P193-C195 VanDerWaalsContact C-N 3.33Å
194E95.5Very high95Very high175 Ų17550.4 Ų50.482%0.81826%0.264SS*.THydrogen-bonded Turntrans-78.6-15.3177.8-58.8-57.913600113N192 Q196N192-E194 PolarHBondContact O-N 3.27Å; E194-Q196 PolarHBondContact O-N 3Å
195C94.9Very high94.4Very high24 Ų2456.8 Ų56.816%0.16229%0.292CS..SBendtrans-60137.7176.6-174.90000110.9K188 N192 P193 G197K188-C195 PolarHBondContact NZ-O 3.42Å; N192-C195 WeakPolarHBondContact O-CB 3.35Å; N192-C195 PolarHBondContact O-N 2.96Å; N192-C195 VanDerWaalsContact O-N 3.12Å; P193-C195 VanDerWaalsContact C-N 3.33Å; C195-G197 VanDerWaalsContact C-N 3.25Å; C195-G197 PolarHBondContact O-N 3.39Å
196Q93.9Very high93.6Very high89 Ų8964.9 Ų64.942%0.41634%0.335SS..  trans-56.5-42.4177.9176.1174.3-41.500111.9E152 I186 E194E152-Q196 VanDerWaalsContact CD-NE2 3.29Å; E152-Q196 PolarHBondContact OE2-NE2 3.17Å; I186-Q196 WeakPolarHBondContact CD1-O 3.43Å; E194-Q196 PolarHBondContact O-N 3Å
197G95.7Very high93Very high0 Ų066.2 Ų66.20%034%0.344CS..  trans65.2-157.5-176.100000114.2D135 I187 C195D135-G197 WeakPolarHBondContact O-CA 3.46Å; I187-G197 VanDerWaalsContact O-CA 3.28Å; I187-G197 WeakPolarHBondContact O-CA 3.37Å; C195-G197 VanDerWaalsContact C-N 3.25Å; C195-G197 PolarHBondContact O-N 3.39Å
198T95.2Very high92.4Very high0 Ų072 Ų720%038%0.384CS..EExtended strand (participates in β ladder)trans-109113.9-174.2-55.60000111.3I137 I151 A154 I186 I187 I200I137-T198 HydrophobicContact CB-CG2 4.09Å; I137-T198 HydrophobicContact CD1-CG2 4.11Å; I137-T198 HydrophobicContact CG1-CG2 4.17Å; I137-T198 PolarHBondContact N-OG1 3.08Å; I151-T198 HydrophobicContact CB-CG2 4.42Å; I151-T198 HydrophobicContact CG2-CG2 4.18Å; I151-T198 WeakPolarHBondContact O-CA 3.36Å; I151-T198 WeakPolarHBondContact O-CB 3.43Å; I151-T198 VanDerWaalsContact O-CG2 3.23Å; I151-T198 WeakPolarHBondContact O-CG2 3.3Å; I151-T198 PolarHBondContact O-OG1 2.92Å; A154-T198 HydrophobicContact CB-CG2 4.27Å; I186-T198 CarbonylContact C-O 3.56Å; I186-T198 WeakPolarHBondContact CA-O 3.45Å; I187-T198 PolarHBondContact N-O 3.36Å; I187-T198 PolarHBondContact O-N 2.83Å; T198-I200 HydrophobicContact CG2-CG1 4.12Å
199L96Very high92.1Very high32 Ų3273.6 Ų73.617%0.16839%0.39CS..EExtended strand (participates in β ladder)trans-86.7123.3172.9-177.863.3000110.5L127 E152 Y153 A154 P184 I186 K201 F204L127-L199 HydrophobicContact CD1-CD1 4.41Å; E152-L199 PolarHBondContact O-N 3Å; Y153-L199 WeakPolarHBondContact CA-O 3.4Å; Y153-L199 HydrophobicContact CD1-CB 4.04Å; Y153-L199 HydrophobicContact CD1-CD2 4.08Å; Y153-L199 HydrophobicContact CE1-CB 4.36Å; Y153-L199 HydrophobicContact CE1-CD2 3.98Å; A154-L199 PolarHBondContact N-O 3.31Å; P184-L199 HydrophobicContact CB-CD1 4.33Å; I186-L199 HydrophobicContact CB-CD1 4.24Å; L199-K201 HydrophobicContact CD2-CD 4.3Å; L199-K201 HydrophobicContact CG-CD 4.41Å; L199-K201 HydrophobicContact CG-CG 4.34Å; L199-F204 HydrophobicContact CD2-CE1 4.16Å; L199-F204 HydrophobicContact CG-CE1 4.39Å; L199-F204 HydrophobicContact CG-CZ 4.42Å; L199-F204 WeakPolarHBondContact O-CZ 3.47Å
200I94.9Very high91.7Very high0 Ų076.9 Ų76.90%041%0.407CS..EExtended strand (participates in β ladder)trans-110.7123-179.9-52.2166.4000110.3I137 A154 Y156 I159 F170 L175 P184 V185 I187 T198I137-I200 HydrophobicContact CD1-CD1 4.03Å; A154-I200 WeakPolarHBondContact O-CA 3.44Å; Y156-I200 HydrophobicContact CD1-CG2 3.64Å; Y156-I200 HydrophobicContact CD2-CG2 4.28Å; Y156-I200 HydrophobicContact CE1-CG2 3.76Å; Y156-I200 HydrophobicContact CE2-CG2 4.41Å; Y156-I200 HydrophobicContact CG-CG2 3.91Å; I159-I200 HydrophobicContact CG1-CD1 3.88Å; I159-I200 HydrophobicContact CG1-CG1 3.99Å; I159-I200 HydrophobicContact CG1-CG2 4.09Å; F170-I200 HydrophobicContact CE2-CD1 4.13Å; L175-I200 HydrophobicContact CD1-CD1 3.92Å; P184-I200 WeakPolarHBondContact CA-O 3.18Å; V185-I200 HydrophobicContact CB-CB 4.26Å; V185-I200 HydrophobicContact CG1-CD1 4.43Å; V185-I200 PolarHBondContact N-O 3.47Å; V185-I200 WeakPolarHBondContact O-CA 3.42Å; V185-I200 PolarHBondContact O-N 3.24Å; I187-I200 HydrophobicContact CD1-CD1 4.09Å; I187-I200 HydrophobicContact CG1-CD1 3.99Å; T198-I200 HydrophobicContact CG2-CG1 4.12Å
201K94.4Very high91.5Very high75 Ų7576.6 Ų76.633%0.32640%0.4SS..EExtended strand (participates in β ladder)trans-139.1173.2179-71.4-175.5177.2176.10111.9A154 T155 Y156 P184 L199 F204A154-K201 PolarHBondContact O-N 2.71Å; T155-K201 CarbonylContact C-O 3.5Å; T155-K201 WeakPolarHBondContact CA-O 3.36Å; Y156-K201 VanDerWaalsContact CD2-C 3.44Å; Y156-K201 WeakPolarHBondContact CD2-O 3.34Å; Y156-K201 PolarHBondContact N-O 3.25Å; P184-K201 HydrophobicContact CB-CD 4.28Å; P184-K201 HydrophobicContact CB-CG 3.81Å; P184-K201 HydrophobicContact CG-CD 4.23Å; P184-K201 HydrophobicContact CG-CG 4.08Å; L199-K201 HydrophobicContact CD2-CD 4.3Å; L199-K201 HydrophobicContact CG-CD 4.41Å; L199-K201 HydrophobicContact CG-CG 4.34Å; K201-F204 HydrophobicContact CB-CE1 4.26Å; K201-F204 HydrophobicContact CB-CE2 4.14Å; K201-F204 HydrophobicContact CB-CZ 3.83Å; K201-F204 HydrophobicContact CD-CE1 4.05Å; K201-F204 HydrophobicContact CD-CZ 4.39Å; K201-F204 HydrophobicContact CG-CE1 4.35Å; K201-F204 HydrophobicContact CG-CZ 4.18Å
202K92.5Very high91.4Very high114 Ų11470.5 Ų70.550%0.49637%0.367SS..SBendtrans-65.5-39.1175.7-177.8179.2178.9-172.90112.5
203S92.3Very high91.3Very high70 Ų7067.6 Ų67.649%0.4935%0.352SS..  trans-161.4160.3-179.153.80000109.5
204F91.1Very high91.4Very high37 Ų3764.5 Ų64.516%0.16233%0.332CS..  trans-122.6141.2172.7-66.8-87.8000109.9Y153 A154 T155 L199 K201 V207Y153-F204 HydrophobicContact CD1-CD1 4.18Å; Y153-F204 AromaticContact CD1-CE1 3.54Å; Y153-F204 HydrophobicContact CD1-CE1 3.54Å; Y153-F204 HydrophobicContact CD1-CZ 4.04Å; Y153-F204 HydrophobicContact CE1-CE1 4.44Å; Y153-F204 HydrophobicContact CG-CE1 4.14Å; Y153-F204 HydrophobicContact CG-CZ 4.42Å; A154-F204 VanDerWaalsContact O-CE2 3.31Å; A154-F204 WeakPolarHBondContact O-CE2 3.45Å; T155-F204 HydrophobicContact CG2-CD2 4Å; T155-F204 HydrophobicContact CG2-CE2 4.21Å; L199-F204 HydrophobicContact CD2-CE1 4.16Å; L199-F204 HydrophobicContact CG-CE1 4.39Å; L199-F204 HydrophobicContact CG-CZ 4.42Å; L199-F204 WeakPolarHBondContact O-CZ 3.47Å; K201-F204 HydrophobicContact CB-CE1 4.26Å; K201-F204 HydrophobicContact CB-CE2 4.14Å; K201-F204 HydrophobicContact CB-CZ 3.83Å; K201-F204 HydrophobicContact CD-CE1 4.05Å; K201-F204 HydrophobicContact CD-CZ 4.39Å; K201-F204 HydrophobicContact CG-CE1 4.35Å; K201-F204 HydrophobicContact CG-CZ 4.18Å; F204-V207 HydrophobicContact CB-CB 4.26Å; F204-V207 HydrophobicContact CB-CG2 4.19Å; F204-V207 HydrophobicContact CD1-CG2 4.02Å
205E85.8Confident91.4Very high160 Ų16056.2 Ų56.275%0.74829%0.293SS*.SBendtrans-121.2138.6171.4-65.8-179.4-175.100108.2V207E205-V207 PolarHBondContact O-N 2.79Å; E205-V207 VanDerWaalsContact O-N 3.16Å
206N79.4Confident91.3Very high169 Ų16955.3 Ų55.390%0.90429%0.287SS*.SBendtrans57.328.2175.6-50.9-51.9000115.1
207V82.3Confident91.4Very high54 Ų5451.7 Ų51.733%0.32727%0.272SS..  trans-107.1132172.9-177.10000108.6Y153 F204 E205 R209Y153-V207 HydrophobicContact CD1-CG1 4.32Å; Y153-V207 HydrophobicContact CD2-CG1 3.36Å; Y153-V207 HydrophobicContact CE1-CG1 4.42Å; Y153-V207 HydrophobicContact CE2-CG1 3.47Å; Y153-V207 VanDerWaalsContact CE2-CG1 3.47Å; Y153-V207 HydrophobicContact CG-CG1 3.8Å; F204-V207 HydrophobicContact CB-CB 4.26Å; F204-V207 HydrophobicContact CB-CG2 4.19Å; F204-V207 HydrophobicContact CD1-CG2 4.02Å; E205-V207 PolarHBondContact O-N 2.79Å; E205-V207 VanDerWaalsContact O-N 3.16Å; V207-R209 HydrophobicContact CB-CG 4.2Å; V207-R209 HydrophobicContact CG1-CG 3.92Å; V207-R209 PolarHBondContact O-N 2.99Å
208S83.8Confident91.3Very high121 Ų12153.6 Ų53.685%0.84628%0.282SS*.  trans-68.6114.9170.6-171.90000108.5
209R88Confident91.2Very high61 Ų6154.6 Ų54.623%0.2329%0.293CS..  trans-130.4145.1-178-64.1174.864.9-144-6.4108.9E158 V207 E306E158-R209 IonicContact OE1-CZ 3.97Å; E158-R209 IonicContact OE1-NH2 3.77Å; E158-R209 PolarHBondContact OE1-NH2 3.04Å; E158-R209 IonicContact OE2-CZ 2.99Å; E158-R209 IonicContact OE2-NH2 3.62Å; E158-R209 PolarHBondContact OE2-NH2 3.16Å; V207-R209 HydrophobicContact CB-CG 4.2Å; V207-R209 HydrophobicContact CG1-CG 3.92Å; V207-R209 PolarHBondContact O-N 2.99Å; R209-E306 IonicContact NH1-OE2 3.07Å; R209-E306 PolarHBondContact NH1-OE2 3.05Å
210N88.5Confident91.2Very high83 Ų8354.8 Ų54.844%0.44430%0.302SS..  trans-63.3144.6170.4-66.7-13.5000109.4E149 V212E149-N210 PolarHBondContact OE2-ND2 3.33Å; N210-V212 VanDerWaalsContact C-N 3.33Å; N210-V212 WeakPolarHBondContact CB-O 3.4Å
211E90.2Very high91.3Very high81 Ų8154.8 Ų54.838%0.37930%0.302SS..SBendtrans-66.2-42.6-178.5-63.2166.5179.900111.2G305 G307 M308 R311E211-G305 WeakPolarHBondContact O-CA 3.35Å; E211-G307 CarbonylContact O-C 3.52Å; E211-G307 WeakPolarHBondContact O-CA 3.35Å; E211-G307 PolarHBondContact O-N 3.3Å; E211-M308 PolarHBondContact O-N 2.88Å; E211-R311 IonicContact OE1-CZ 3.68Å; E211-R311 IonicContact OE1-NH1 3.98Å; E211-R311 PolarHBondContact OE1-NH1 3.13Å; E211-R311 IonicContact OE1-NH2 3.04Å; E211-R311 PolarHBondContact OE1-NH2 2.62Å; E211-R311 IonicContact OE2-CZ 3.24Å; E211-R311 IonicContact OE2-NE 2.68Å; E211-R311 PolarHBondContact OE2-NE 2.75Å; E211-R311 IonicContact OE2-NH1 3.1Å; E211-R311 PolarHBondContact OE2-NH1 2.8Å; E211-R311 VanDerWaalsContact OE2-NH1 3.16Å; E211-R311 IonicContact OE2-NH2 3.17Å; E211-R311 PolarHBondContact OE2-NH2 3.16Å
212V94.7Very high91.5Very high5 Ų551.2 Ų51.23%0.0329%0.286CS..SBendtrans-96.2125.2163.5176.10000107N210 L303 M308 T314 F361 F362N210-V212 VanDerWaalsContact C-N 3.33Å; N210-V212 WeakPolarHBondContact CB-O 3.4Å; V212-L303 HydrophobicContact CB-CD1 4.35Å; V212-L303 HydrophobicContact CG1-CD1 3.35Å; V212-L303 HydrophobicContact CG1-CG 3.81Å; V212-L303 HydrophobicContact CG2-CD1 4.07Å; V212-L303 HydrophobicContact CG2-CD2 3.91Å; V212-L303 HydrophobicContact CG2-CG 3.99Å; V212-M308 HydrophobicContact CG2-CG 4.1Å; V212-M308 HydrophobicContact CG2-SD 3.89Å; V212-T314 HydrophobicContact CG2-CG2 4.5Å; V212-F361 HydrophobicContact CB-CB 4.13Å; V212-F361 HydrophobicContact CB-CG 4.3Å; V212-F361 HydrophobicContact CG1-CB 4.43Å; V212-F361 HydrophobicContact CG2-CB 4.12Å; V212-F361 HydrophobicContact CG2-CD1 3.62Å; V212-F361 HydrophobicContact CG2-CD2 4.3Å; V212-F361 HydrophobicContact CG2-CE1 4.08Å; V212-F361 HydrophobicContact CG2-CG 3.75Å; V212-F362 HydrophobicContact CB-CE2 4.36Å; V212-F362 HydrophobicContact CB-CZ 4.28Å; V212-F362 HydrophobicContact CG1-CE2 3.76Å; V212-F362 HydrophobicContact CG1-CZ 3.84Å; V212-F362 VanDerWaalsContact O-CZ 3.3Å; V212-F362 WeakPolarHBondContact O-CZ 3.39Å
213V94.6Very high91.7Very high5 Ų546 Ų463%0.0327%0.266CS..  trans-88.1-32.6177.1172.60000111.2I151 A154 E158 V304I151-V213 HydrophobicContact CD1-CG1 3.81Å; I151-V213 VanDerWaalsContact CD1-O 3.31Å; I151-V213 WeakPolarHBondContact CD1-O 3.45Å; I151-V213 HydrophobicContact CG1-CG1 4.05Å; I151-V213 VanDerWaalsContact CG1-O 3.32Å; I151-V213 WeakPolarHBondContact CG1-O 3.3Å; I151-V213 HydrophobicContact CG2-CG1 3.66Å; A154-V213 HydrophobicContact CB-CG1 4.33Å; E158-V213 WeakPolarHBondContact OE1-CG2 3.34Å; V213-V304 PolarHBondContact N-O 3.1Å
214G95.1Very high92Very high0 Ų042.7 Ų42.70%024%0.243CC..EExtended strand (participates in β ladder)trans-168.4169.2174.400000115.7A139 V304A139-G214 CarbonylContact O-C 3.18Å; A139-G214 WeakPolarHBondContact O-CA 3.23Å; G214-V304 PolarHBondContact N-O 3.29Å; G214-V304 PolarHBondContact O-N 3.12Å
215V95.3Very high92.3Very high0 Ų043 Ų430%025%0.247CC..EExtended strand (participates in β ladder)trans-120.8121.6172.5-176.50000107.8A139 A140 V301 A302 L303 V354 L357 F362A139-V215 PolarHBondContact O-N 3.02Å; A140-V215 WeakPolarHBondContact CA-O 3.35Å; V215-V301 HydrophobicContact CG1-CG1 4.22Å; V215-A302 WeakPolarHBondContact CA-O 3.3Å; V215-L303 HydrophobicContact CG2-CD1 3.57Å; V215-V354 HydrophobicContact CG1-CB 4.46Å; V215-V354 HydrophobicContact CG1-CG1 4.08Å; V215-L357 HydrophobicContact CG1-CB 3.99Å; V215-L357 HydrophobicContact CG1-CD1 4.13Å; V215-L357 HydrophobicContact CG2-CB 3.94Å; V215-F362 HydrophobicContact CG2-CE2 4.28Å
216A94.2Very high92.9Very high5 Ų535.4 Ų35.44%0.04121%0.212CC..EExtended strand (participates in β ladder)trans-123.6152.217700000110.5L162 A165 V301 A302L162-A216 HydrophobicContact CD2-CB 3.84Å; A165-A216 HydrophobicContact CB-CB 3.71Å; A165-A216 CarbonylContact O-C 3.56Å; A165-A216 WeakPolarHBondContact O-CB 3.5Å; A216-V301 CarbonylContact O-C 3.58Å; A216-V301 WeakPolarHBondContact O-CA 3.41Å; A216-A302 PolarHBondContact N-O 2.86Å; A216-A302 PolarHBondContact O-N 3.02Å
217S94.5Very high93.7Very high14 Ų1427.8 Ų27.810%0.09817%0.174CC..EExtended strand (participates in β ladder)trans-142.9143.6171.966.50000112.2Y144 A165 V300 E350 V354Y144-S217 WeakPolarHBondContact CE2-OG 3.21Å; A165-S217 CarbonylContact O-C 3.58Å; A165-S217 WeakPolarHBondContact O-CA 3.05Å; A165-S217 PolarHBondContact O-N 3.25Å; S217-V300 CarbonylContact C-O 3.59Å; S217-V300 WeakPolarHBondContact CA-O 3.04Å; S217-E350 WeakPolarHBondContact CB-OE1 3.47Å; S217-E350 WeakPolarHBondContact OG-CG 3.36Å; S217-E350 PolarHBondContact OG-OE1 3.09Å; S217-V354 WeakPolarHBondContact OG-CG2 3.48Å
218D93.6Very high94.3Very high40 Ų4026.9 Ų26.921%0.21417%0.165CC..EExtended strand (participates in β ladder)trans-133.3141172.9-166.517.4000109.9A165 F221 R267 S299 V300A165-D218 PolarHBondContact O-N 3.31Å; D218-F221 HydrophobicContact CB-CE2 3.84Å; D218-F221 HydrophobicContact CB-CZ 4.35Å; D218-F221 WeakPolarHBondContact O-CD2 3.3Å; D218-F221 VanDerWaalsContact O-CE2 3.29Å; D218-F221 WeakPolarHBondContact O-CE2 3.09Å; D218-R267 IonicContact OD2-CZ 3.22Å; D218-R267 IonicContact OD2-NH1 3.22Å; D218-R267 PolarHBondContact OD2-NH1 3.02Å; D218-R267 IonicContact OD2-NH2 3.31Å; D218-R267 PolarHBondContact OD2-NH2 3.38Å; D218-S299 CarbonylContact O-C 3.55Å; D218-S299 VanDerWaalsContact O-CA 3.25Å; D218-S299 WeakPolarHBondContact O-CA 3.33Å; D218-S299 WeakPolarHBondContact O-CB 3.47Å; D218-V300 PolarHBondContact N-O 3.01Å; D218-V300 PolarHBondContact O-N 3.04Å
219G94.4Very high94.8Very high21 Ų2129.1 Ų29.122%0.21616%0.156CC..EExtended strand (participates in β ladder)trans-98.1-176.3178.200000112.2F221G219-F221 WeakPolarHBondContact O-CD2 3.47Å; G219-F221 WeakPolarHBondContact O-CE2 3.4Å
220G95.3Very high95Very high35 Ų3528.9 Ų28.936%0.36116%0.159SC..EExtended strand (participates in β ladder)trans75.637.3174.300000113.2R267 E268 L298G220-R267 CarbonylContact O-C 3.59Å; G220-E268 WeakPolarHBondContact O-CB 3.48Å; G220-E268 PolarHBondContact O-N 3.05Å; G220-L298 PolarHBondContact N-O 3.49Å
221F97.2Very high95.1Very high0 Ų025.1 Ų25.10%014%0.139CC..EExtended strand (participates in β ladder)trans-105.6153.4169.6-63.7-98.2000110.2D218 G219 E253 I265 L266 R267 G297 L298 V300D218-F221 HydrophobicContact CB-CE2 3.84Å; D218-F221 HydrophobicContact CB-CZ 4.35Å; D218-F221 WeakPolarHBondContact O-CD2 3.3Å; D218-F221 VanDerWaalsContact O-CE2 3.29Å; D218-F221 WeakPolarHBondContact O-CE2 3.09Å; G219-F221 WeakPolarHBondContact O-CD2 3.47Å; G219-F221 WeakPolarHBondContact O-CE2 3.4Å; F221-E253 HydrophobicContact CD1-CG 4.34Å; F221-E253 HydrophobicContact CE1-CB 4.42Å; F221-E253 HydrophobicContact CE1-CG 3.94Å; F221-I265 HydrophobicContact CB-CG2 4.18Å; F221-I265 HydrophobicContact CD1-CG2 3.84Å; F221-I265 HydrophobicContact CG-CG2 4.36Å; F221-L266 CarbonylContact C-O 3.54Å; F221-L266 VanDerWaalsContact CA-O 3.29Å; F221-L266 WeakPolarHBondContact CA-O 3.29Å; F221-R267 HydrophobicContact CD1-CG 4.31Å; F221-R267 HydrophobicContact CE1-CG 3.99Å; F221-R267 HydrophobicContact CZ-CG 4.48Å; F221-G297 PolarHBondContact O-N 3.2Å; F221-L298 HydrophobicContact CB-CB 4.07Å; F221-L298 PolarHBondContact N-O 2.89Å; F221-L298 WeakPolarHBondContact O-CA 3.39Å; F221-L298 WeakPolarHBondContact O-CB 3.39Å; F221-L298 PolarHBondContact O-N 3.26Å; F221-V300 HydrophobicContact CD1-CG2 3.83Å; F221-V300 HydrophobicContact CD2-CB 4.24Å; F221-V300 HydrophobicContact CD2-CG2 3.8Å; F221-V300 HydrophobicContact CE1-CG2 3.84Å; F221-V300 HydrophobicContact CE2-CB 3.95Å; F221-V300 HydrophobicContact CE2-CG2 3.85Å; F221-V300 HydrophobicContact CG-CG2 3.79Å; F221-V300 HydrophobicContact CZ-CB 4.11Å; F221-V300 HydrophobicContact CZ-CG2 3.86Å
222C97.9Very high95.2Very high0 Ų025.6 Ų25.60%014%0.144CC..EExtended strand (participates in β ladder)trans-126.6156.9164.664.50000109.8I265 L266 L271 I294 E295C222-I265 WeakPolarHBondContact O-CA 3.46Å; C222-L266 PolarHBondContact N-O 3.44Å; C222-L266 PolarHBondContact O-N 3.42Å; C222-L266 WeakPolarHBondContact SG-CD1 3.5Å; C222-L271 WeakPolarHBondContact SG-CD1 3.11Å; C222-I294 HydrophobicContact CB-CD1 4.48Å; C222-I294 HydrophobicContact CB-CG1 4.38Å; C222-E295 CarbonylContact C-O 3.54Å; C222-E295 WeakPolarHBondContact CA-O 3.44Å; C222-E295 VanDerWaalsContact CB-O 3.31Å; C222-E295 WeakPolarHBondContact CB-O 3.31Å
223G97.8Very high95.1Very high6 Ų634.2 Ų34.26%0.06218%0.176CC..EExtended strand (participates in β ladder)trans-119.3121.8177.400000110.9I264 I294 E295G223-I264 CarbonylContact C-O 3.43Å; G223-I264 WeakPolarHBondContact CA-O 3.35Å; G223-I294 CarbonylContact O-C 3.54Å; G223-I294 WeakPolarHBondContact O-CA 3.47Å; G223-E295 PolarHBondContact N-O 2.83Å; G223-E295 PolarHBondContact O-N 3.35Å
224I98.2Very high95.1Very high0 Ų036.6 Ų36.60%019%0.187CC..EExtended strand (participates in β ladder)trans-98.4123.1171.8-60.3173.1000108.2V226 S263 I264 L266 L279 M280 I283 L292 S293 I294I224-V226 HydrophobicContact CG2-CG2 4.19Å; I224-S263 CarbonylContact O-C 3.55Å; I224-S263 VanDerWaalsContact O-CA 3.25Å; I224-S263 WeakPolarHBondContact O-CA 3.31Å; I224-I264 HydrophobicContact CB-CB 4.38Å; I224-I264 PolarHBondContact N-O 3.44Å; I224-I264 PolarHBondContact O-N 2.96Å; I224-L266 HydrophobicContact CD1-CD2 3.83Å; I224-L266 HydrophobicContact CG1-CD2 4.45Å; I224-L279 HydrophobicContact CD1-CD2 3.47Å; I224-L279 VanDerWaalsContact CD1-CD2 3.47Å; I224-L279 HydrophobicContact CD1-CG 4.23Å; I224-M280 HydrophobicContact CD1-SD 4.27Å; I224-M280 HydrophobicContact CG1-SD 4.45Å; I224-M280 HydrophobicContact CG2-SD 4.22Å; I224-I283 HydrophobicContact CG2-CD1 4.28Å; I224-L292 HydrophobicContact CG2-CD1 3.92Å; I224-S293 CarbonylContact C-O 2.82Å; I224-S293 WeakPolarHBondContact CA-O 3.26Å; I224-I294 HydrophobicContact CD1-CD1 4.28Å; I224-I294 HydrophobicContact CG1-CB 4.26Å; I224-I294 HydrophobicContact CG1-CD1 3.87Å; I224-I294 HydrophobicContact CG1-CG1 3.91Å
225T97.8Very high95.1Very high43 Ų4343.2 Ų43.226%0.26423%0.227SC..EExtended strand (participates in β ladder)trans-107.4122.6174.3-58.40000109.7I262 S263 L292 S293T225-I262 WeakPolarHBondContact CA-O 3.24Å; T225-S263 PolarHBondContact OG1-OG 3.07Å; T225-L292 WeakPolarHBondContact O-CA 3.39Å; T225-S293 PolarHBondContact N-O 2.81Å; T225-S293 PolarHBondContact O-N 3.06Å
226V97.8Very high95.1Very high0 Ų044.6 Ų44.60%024%0.242CC..EExtended strand (participates in β ladder)trans-109.7105.2176.7-173.40000107.8I224 I241 D261 I262 I283 I287 P289 L292I224-V226 HydrophobicContact CG2-CG2 4.19Å; V226-I241 HydrophobicContact CG1-CD1 4.4Å; V226-D261 CarbonylContact O-C 3.5Å; V226-D261 VanDerWaalsContact O-CA 3.24Å; V226-D261 WeakPolarHBondContact O-CA 3.24Å; V226-I262 PolarHBondContact N-O 2.91Å; V226-I262 PolarHBondContact O-N 3.43Å; V226-I283 HydrophobicContact CG1-CG2 4.32Å; V226-I283 HydrophobicContact CG2-CG2 4.06Å; V226-I287 HydrophobicContact CG1-CG2 3.94Å; V226-P289 HydrophobicContact CG1-CB 3.81Å; V226-P289 HydrophobicContact CG1-CG 4.43Å; V226-L292 HydrophobicContact CG2-CD1 3.93Å
227G96.6Very high95.1Very high10 Ų1044.8 Ų44.810%0.10324%0.242CC..EExtended strand (participates in β ladder)trans-102.5131.6177.300000111.5D260 P289 D290 Q291G227-D260 CarbonylContact C-O 3.51Å; G227-D260 WeakPolarHBondContact CA-O 3.32Å; G227-P289 CarbonylContact O-C 3.43Å; G227-P289 VanDerWaalsContact O-CB 3.31Å; G227-P289 WeakPolarHBondContact O-CB 3.28Å; G227-D290 PolarHBondContact O-N 3.08Å; G227-Q291 PolarHBondContact N-O 2.68Å; G227-Q291 PolarHBondContact O-N 3.1Å
228K95.2Very high95.1Very high34 Ų3446.6 Ų46.615%0.14825%0.252CS..  trans-153132.3174.9-165.4175-171.81780110.7L230 L231 E234 D260 I287 Q288 D290K228-L230 PolarHBondContact O-N 2.64Å; K228-L231 HydrophobicContact CB-CB 4.18Å; K228-L231 HydrophobicContact CB-CD1 4.02Å; K228-L231 HydrophobicContact CB-CG 4.42Å; K228-L231 VanDerWaalsContact O-CB 3.24Å; K228-L231 WeakPolarHBondContact O-CB 3.42Å; K228-L231 PolarHBondContact O-N 2.88Å; K228-E234 VanDerWaalsContact CD-OE1 3.28Å; K228-E234 WeakPolarHBondContact CD-OE1 3.18Å; K228-E234 WeakPolarHBondContact CE-OE1 3.32Å; K228-E234 IonicContact NZ-OE1 2.78Å; K228-E234 PolarHBondContact NZ-OE1 3.23Å; K228-E234 IonicContact NZ-OE2 2.62Å; K228-D260 CarbonylContact C-O 3.6Å; K228-D260 PolarHBondContact N-O 3.48Å; K228-D260 CarbonylContact O-C 3.48Å; K228-D260 VanDerWaalsContact O-CA 3.31Å; K228-D260 WeakPolarHBondContact O-CA 3Å; K228-I287 PolarHBondContact NZ-O 2.98Å; K228-Q288 WeakPolarHBondContact CE-O 3.38Å; K228-Q288 PolarHBondContact NZ-O 3.29Å; K228-D290 WeakPolarHBondContact CA-OD2 3.49Å
229Y94.6Very high95.2Very high168 Ų16852.2 Ų52.266%0.65927%0.27SS*.THydrogen-bonded Turntrans-60.2128.4179.1-176-111.4000111.5L231 D290Y229-L231 VanDerWaalsContact C-N 3.25Å; Y229-L231 PolarHBondContact O-N 2.97Å; Y229-D290 PolarHBondContact N-OD2 2.76Å
230L91.5Very high95.4Very high56 Ų5654.8 Ų54.829%0.29327%0.274SS..THydrogen-bonded Turntrans58.631.5-174.2-57.8173.2000113.9K228 N232 R233 D260K228-L230 PolarHBondContact O-N 2.64Å; L230-N232 PolarHBondContact O-N 2.98Å; L230-N232 VanDerWaalsContact O-N 3.13Å; L230-R233 HydrophobicContact CB-CB 4.45Å; L230-R233 HydrophobicContact CB-CG 4.38Å; L230-R233 WeakPolarHBondContact O-CB 3.49Å; L230-R233 PolarHBondContact O-N 3.42Å; L230-D260 PolarHBondContact N-OD1 2.93Å
231L91.5Very high95.4Very high4 Ų453.2 Ų53.22%0.02126%0.257CS..G310 helixtrans-49-42.2177.6-169.7151.5000111.6K228 Y229 R233 E234 I237 I259 I262K228-L231 HydrophobicContact CB-CB 4.18Å; K228-L231 HydrophobicContact CB-CD1 4.02Å; K228-L231 HydrophobicContact CB-CG 4.42Å; K228-L231 VanDerWaalsContact O-CB 3.24Å; K228-L231 WeakPolarHBondContact O-CB 3.42Å; K228-L231 PolarHBondContact O-N 2.88Å; Y229-L231 VanDerWaalsContact C-N 3.25Å; Y229-L231 PolarHBondContact O-N 2.97Å; L231-R233 PolarHBondContact O-N 3.4Å; L231-R233 VanDerWaalsContact O-N 3.07Å; L231-E234 WeakPolarHBondContact O-CB 3.37Å; L231-E234 PolarHBondContact O-N 3.15Å; L231-I237 HydrophobicContact CD1-CG1 4.46Å; L231-I237 HydrophobicContact CD2-CG1 4.08Å; L231-I237 HydrophobicContact CD2-CG2 3.74Å; L231-I237 HydrophobicContact CG-CG1 4.05Å; L231-I237 HydrophobicContact CG-CG2 4.4Å; L231-I259 PolarHBondContact N-O 3.28Å; L231-I262 HydrophobicContact CD1-CD1 4.3Å; L231-I262 HydrophobicContact CD1-CG1 4.22Å; L231-I262 HydrophobicContact CD2-CD1 3.49Å; L231-I262 VanDerWaalsContact CD2-CD1 3.49Å; L231-I262 HydrophobicContact CD2-CG1 3.69Å
232N91.4Very high95.5Very high91 Ų9155.8 Ų55.849%0.48727%0.27SS..G310 helixtrans-61.5-17.1-179.875.6-34.4000115L230 I259L230-N232 PolarHBondContact O-N 2.98Å; L230-N232 VanDerWaalsContact O-N 3.13Å; N232-I259 WeakPolarHBondContact CB-O 3.27Å; N232-I259 PolarHBondContact N-O 2.69Å; N232-I259 PolarHBondContact OD1-O 2.84Å
233R93.3Very high95.5Very high186 Ų18659 Ų5970%0.70229%0.285SS*.G310 helixtrans-90.7-13.1176.2-61.8-169.6177.7-171.6-0.6113.1L230 L231 V235L230-R233 HydrophobicContact CB-CB 4.45Å; L230-R233 HydrophobicContact CB-CG 4.38Å; L230-R233 WeakPolarHBondContact O-CB 3.49Å; L230-R233 PolarHBondContact O-N 3.42Å; L231-R233 PolarHBondContact O-N 3.4Å; L231-R233 VanDerWaalsContact O-N 3.07Å; R233-V235 PolarHBondContact O-N 2.91Å; R233-V235 VanDerWaalsContact O-N 3.13Å
234E94.1Very high95.5Very high55 Ų5558.8 Ų58.826%0.25728%0.283SS..SBendtrans-7897.4177.1-71.6-160-161.800111.4K228 L231 G236 I237 R240K228-E234 VanDerWaalsContact CD-OE1 3.28Å; K228-E234 WeakPolarHBondContact CD-OE1 3.18Å; K228-E234 WeakPolarHBondContact CE-OE1 3.32Å; K228-E234 IonicContact NZ-OE1 2.78Å; K228-E234 PolarHBondContact NZ-OE1 3.23Å; K228-E234 IonicContact NZ-OE2 2.62Å; L231-E234 WeakPolarHBondContact O-CB 3.37Å; L231-E234 PolarHBondContact O-N 3.15Å; E234-G236 PolarHBondContact O-N 3.39Å; E234-I237 HydrophobicContact CB-CB 3.9Å; E234-I237 HydrophobicContact CB-CG2 4.25Å; E234-I237 WeakPolarHBondContact O-CB 3.15Å; E234-I237 WeakPolarHBondContact O-CG2 3.43Å; E234-I237 PolarHBondContact O-N 3.05Å; E234-I237 VanDerWaalsContact O-N 3.12Å; E234-R240 IonicContact OE2-CZ 2.81Å; E234-R240 IonicContact OE2-NH2 3.16Å; E234-R240 PolarHBondContact OE2-NH2 2.97Å
235V94.7Very high95.5Very high140 Ų14059 Ų5985%0.84828%0.284SS*.THydrogen-bonded Turntrans-57.8126.3177.2179.90000110.7R233R233-V235 PolarHBondContact O-N 2.91Å; R233-V235 VanDerWaalsContact O-N 3.13Å
236G95.1Very high95.5Very high29 Ų2963.4 Ų63.430%0.29930%0.301SS..THydrogen-bonded Turntrans81.45.9177.900000115.2E234 V238 R239 R240E234-G236 PolarHBondContact O-N 3.39Å; G236-V238 PolarHBondContact O-N 2.76Å; G236-R239 WeakPolarHBondContact O-CB 3.47Å; G236-R239 PolarHBondContact O-N 2.78Å; G236-R239 VanDerWaalsContact O-N 3.16Å; G236-R240 WeakPolarHBondContact O-CG 3.38Å; G236-R240 PolarHBondContact O-N 2.68Å
237I94Very high95.5Very high8 Ų867.8 Ų67.84%0.04133%0.325CS..Hα-helixtrans-54.2-49.9177.2-177.962.4000112.4L231 E234 R239 R240 I241 I287L231-I237 HydrophobicContact CD1-CG1 4.46Å; L231-I237 HydrophobicContact CD2-CG1 4.08Å; L231-I237 HydrophobicContact CD2-CG2 3.74Å; L231-I237 HydrophobicContact CG-CG1 4.05Å; L231-I237 HydrophobicContact CG-CG2 4.4Å; E234-I237 HydrophobicContact CB-CB 3.9Å; E234-I237 HydrophobicContact CB-CG2 4.25Å; E234-I237 WeakPolarHBondContact O-CB 3.15Å; E234-I237 WeakPolarHBondContact O-CG2 3.43Å; E234-I237 PolarHBondContact O-N 3.05Å; E234-I237 VanDerWaalsContact O-N 3.12Å; I237-R239 VanDerWaalsContact C-N 3.31Å; I237-R239 PolarHBondContact O-N 2.77Å; I237-R240 PolarHBondContact O-N 2.67Å; I237-R240 VanDerWaalsContact O-N 3.09Å; I237-I241 HydrophobicContact CG1-CD1 4.3Å; I237-I241 PolarHBondContact O-N 2.92Å; I237-I287 HydrophobicContact CD1-CB 4.46Å; I237-I287 HydrophobicContact CD1-CD1 3.9Å; I237-I287 HydrophobicContact CD1-CG2 3.5Å
238V95Very high95.6Very high53 Ų5369.2 Ų69.232%0.32133%0.33SS..Hα-helixtrans-57.5-45.6177176.10000110.7G236 R240 I241 L242 M255 I262G236-V238 PolarHBondContact O-N 2.76Å; V238-R240 VanDerWaalsContact C-N 3.31Å; V238-R240 PolarHBondContact O-N 3.32Å; V238-I241 PolarHBondContact O-N 3.12Å; V238-L242 HydrophobicContact CG1-CD1 3.98Å; V238-L242 HydrophobicContact CG1-CG 4.23Å; V238-L242 WeakPolarHBondContact O-CG 3.38Å; V238-L242 PolarHBondContact O-N 2.91Å; V238-M255 HydrophobicContact CG1-CE 3.42Å; V238-M255 VanDerWaalsContact CG1-CE 3.42Å; V238-M255 HydrophobicContact CG1-SD 4.26Å; V238-I262 HydrophobicContact CG2-CD1 3.71Å
239R96.8Very high95.6Very high158 Ų15874.3 Ų74.360%0.59636%0.359SS*.Hα-helixtrans-60.3-39.7177.7-172.9-172.863.975.6-0.3111.9G236 I237 L242 Q243G236-R239 WeakPolarHBondContact O-CB 3.47Å; G236-R239 PolarHBondContact O-N 2.78Å; G236-R239 VanDerWaalsContact O-N 3.16Å; I237-R239 VanDerWaalsContact C-N 3.31Å; I237-R239 PolarHBondContact O-N 2.77Å; R239-L242 PolarHBondContact O-N 3.35Å; R239-Q243 WeakPolarHBondContact O-CB 3.49Å; R239-Q243 PolarHBondContact O-N 3.4Å
240R96.9Very high95.8Very high75 Ų7566.9 Ų66.928%0.28333%0.33SS..Hα-helixtrans-66.1-40.9177.6-66.3-167.1-56.1-89.17.7111.8E234 G236 I237 V238 Q243 I244 I287E234-R240 IonicContact OE2-CZ 2.81Å; E234-R240 IonicContact OE2-NH2 3.16Å; E234-R240 PolarHBondContact OE2-NH2 2.97Å; G236-R240 WeakPolarHBondContact O-CG 3.38Å; G236-R240 PolarHBondContact O-N 2.68Å; I237-R240 PolarHBondContact O-N 2.67Å; I237-R240 VanDerWaalsContact O-N 3.09Å; V238-R240 VanDerWaalsContact C-N 3.31Å; V238-R240 PolarHBondContact O-N 3.32Å; R240-Q243 PolarHBondContact O-N 2.98Å; R240-I244 WeakPolarHBondContact O-CG1 3.48Å; R240-I244 PolarHBondContact O-N 3.08Å; R240-I287 HydrophobicContact CB-CD1 3.66Å
241I97Very high95.9Very high1 Ų168.1 Ų68.11%0.00534%0.343CS..Hα-helixtrans-61.7-49.3174.2-68.8170.9000110.3V226 I237 V238 Q243 I244 L245 I262 I264 I287V226-I241 HydrophobicContact CG1-CD1 4.4Å; I237-I241 HydrophobicContact CG1-CD1 4.3Å; I237-I241 PolarHBondContact O-N 2.92Å; V238-I241 PolarHBondContact O-N 3.12Å; I241-Q243 VanDerWaalsContact C-N 3.29Å; I241-Q243 PolarHBondContact O-N 2.99Å; I241-I244 WeakPolarHBondContact O-CB 3.37Å; I241-I244 PolarHBondContact O-N 2.95Å; I241-I244 VanDerWaalsContact O-N 3.12Å; I241-L245 PolarHBondContact O-N 3.27Å; I241-I262 HydrophobicContact CD1-CD1 3.79Å; I241-I264 HydrophobicContact CG2-CD1 3.37Å; I241-I264 HydrophobicContact CG2-CG1 4.44Å; I241-I287 HydrophobicContact CG1-CD1 3.76Å; I241-I287 HydrophobicContact CG1-CG1 3.95Å
242L97.6Very high96.1Very high55 Ų5571.8 Ų71.829%0.28836%0.359SS..Hα-helixtrans-63.6-34.8178.8-66.9-178.2000112.4V238 R239 I244 L245 E246 F252 M255V238-L242 HydrophobicContact CG1-CD1 3.98Å; V238-L242 HydrophobicContact CG1-CG 4.23Å; V238-L242 WeakPolarHBondContact O-CG 3.38Å; V238-L242 PolarHBondContact O-N 2.91Å; R239-L242 PolarHBondContact O-N 3.35Å; L242-I244 VanDerWaalsContact C-N 3.32Å; L242-I244 PolarHBondContact O-N 3.23Å; L242-L245 HydrophobicContact CD2-CD1 4.16Å; L242-L245 PolarHBondContact O-N 3.11Å; L242-E246 WeakPolarHBondContact O-CB 3.39Å; L242-E246 PolarHBondContact O-N 3.15Å; L242-F252 HydrophobicContact CD2-CD1 3.69Å; L242-F252 HydrophobicContact CD2-CE1 3.41Å; L242-F252 VanDerWaalsContact CD2-CE1 3.41Å; L242-F252 HydrophobicContact CD2-CZ 4.02Å; L242-M255 HydrophobicContact CD1-CE 4.4Å; L242-M255 HydrophobicContact CD2-CE 4.28Å; L242-M255 HydrophobicContact CD2-SD 4.07Å
243Q98.2Very high96.2Very high68 Ų6869.7 Ų69.732%0.31835%0.346SS..Hα-helixtrans-61.7-40.2173.7-169.867.267.900111.5R239 R240 I241 L245 E246 D247R239-Q243 WeakPolarHBondContact O-CB 3.49Å; R239-Q243 PolarHBondContact O-N 3.4Å; R240-Q243 PolarHBondContact O-N 2.98Å; I241-Q243 VanDerWaalsContact C-N 3.29Å; I241-Q243 PolarHBondContact O-N 2.99Å; Q243-L245 VanDerWaalsContact C-N 3.33Å; Q243-L245 PolarHBondContact O-N 3.1Å; Q243-E246 PolarHBondContact NE2-OE2 3.12Å; Q243-E246 PolarHBondContact O-N 2.92Å; Q243-D247 PolarHBondContact NE2-OD1 2.82Å; Q243-D247 WeakPolarHBondContact O-CB 3.42Å; Q243-D247 PolarHBondContact O-N 2.81Å
244I98.2Very high96.2Very high1 Ų162 Ų621%0.00532%0.318CS..Hα-helixtrans-62.8-42.8176.8-64.8162.8000110.5R240 I241 L242 L248 L279 Q282 I283 K286 I287R240-I244 WeakPolarHBondContact O-CG1 3.48Å; R240-I244 PolarHBondContact O-N 3.08Å; I241-I244 WeakPolarHBondContact O-CB 3.37Å; I241-I244 PolarHBondContact O-N 2.95Å; I241-I244 VanDerWaalsContact O-N 3.12Å; L242-I244 VanDerWaalsContact C-N 3.32Å; L242-I244 PolarHBondContact O-N 3.23Å; I244-L248 HydrophobicContact CG2-CD1 4.16Å; I244-L248 WeakPolarHBondContact O-CG 3.48Å; I244-L248 PolarHBondContact O-N 3.2Å; I244-L279 HydrophobicContact CG2-CD1 3.7Å; I244-Q282 HydrophobicContact CD1-CB 4.39Å; I244-Q282 HydrophobicContact CG1-CB 4.36Å; I244-Q282 HydrophobicContact CG2-CB 3.68Å; I244-I283 HydrophobicContact CD1-CG1 4.08Å; I244-I283 HydrophobicContact CG2-CG1 4.44Å; I244-K286 HydrophobicContact CD1-CB 4.14Å; I244-K286 HydrophobicContact CD1-CD 3.93Å; I244-K286 HydrophobicContact CG1-CD 3.78Å; I244-I287 HydrophobicContact CD1-CD1 4.27Å; I244-I287 HydrophobicContact CD1-CG1 4.11Å
245L98.2Very high96.3Very high4 Ų461.8 Ų61.82%0.02132%0.317CS..Hα-helixtrans-63.6-43.3176.1-64.1177.4000111.6I241 L242 Q243 L248 N249 I250 F252 I264 L279I241-L245 PolarHBondContact O-N 3.27Å; L242-L245 HydrophobicContact CD2-CD1 4.16Å; L242-L245 PolarHBondContact O-N 3.11Å; Q243-L245 VanDerWaalsContact C-N 3.33Å; Q243-L245 PolarHBondContact O-N 3.1Å; L245-L248 CarbonylContact O-C 3.43Å; L245-L248 PolarHBondContact O-N 3.1Å; L245-N249 PolarHBondContact O-N 3.41Å; L245-I250 HydrophobicContact CB-CB 4.43Å; L245-I250 HydrophobicContact CD2-CB 4.15Å; L245-I250 HydrophobicContact CD2-CD1 4.44Å; L245-I250 HydrophobicContact CD2-CG2 4.05Å; L245-I250 PolarHBondContact O-N 2.92Å; L245-F252 HydrophobicContact CD1-CB 4.06Å; L245-F252 HydrophobicContact CD1-CD1 4.27Å; L245-F252 HydrophobicContact CD1-CG 4.44Å; L245-I264 HydrophobicContact CD1-CG2 4.15Å; L245-L279 HydrophobicContact CD2-CD1 3.7Å; L245-L279 HydrophobicContact CD2-CD2 4.17Å
246E98.1Very high96.2Very high135 Ų13557.3 Ų57.363%0.63129%0.291SS*.Hα-helixtrans-61.8-47.2176.4-176.7-179.6-157.500112L242 Q243 L248 N249L242-E246 WeakPolarHBondContact O-CB 3.39Å; L242-E246 PolarHBondContact O-N 3.15Å; Q243-E246 PolarHBondContact NE2-OE2 3.12Å; Q243-E246 PolarHBondContact O-N 2.92Å; E246-L248 PolarHBondContact O-N 2.87Å; E246-N249 WeakPolarHBondContact O-CA 3.39Å; E246-N249 PolarHBondContact O-N 2.83Å
247D98Very high96.1Very high92 Ų9260.2 Ų60.249%0.49231%0.307SS..Hα-helixtrans-59.5-30.4178.7-66.7-10.3000111.8Q243 K286Q243-D247 PolarHBondContact NE2-OD1 2.82Å; Q243-D247 WeakPolarHBondContact O-CB 3.42Å; Q243-D247 PolarHBondContact O-N 2.81Å; D247-K286 IonicContact OD2-NZ 2.76Å
248L97.6Very high96Very high40 Ų4061.3 Ų61.321%0.20932%0.321CS..THydrogen-bonded Turntrans-93.51.6176.6-65.3174.5000113.6I244 L245 E246 I250 E278 L279I244-L248 HydrophobicContact CG2-CD1 4.16Å; I244-L248 WeakPolarHBondContact O-CG 3.48Å; I244-L248 PolarHBondContact O-N 3.2Å; L245-L248 CarbonylContact O-C 3.43Å; L245-L248 PolarHBondContact O-N 3.1Å; E246-L248 PolarHBondContact O-N 2.87Å; L248-I250 VanDerWaalsContact C-N 3.31Å; L248-I250 HydrophobicContact CB-CD1 3.72Å; L248-I250 HydrophobicContact CB-CG1 3.88Å; L248-I250 HydrophobicContact CD1-CD1 4.15Å; L248-I250 PolarHBondContact O-N 3.32Å; L248-E278 HydrophobicContact CD2-CG 3.98Å; L248-L279 HydrophobicContact CD1-CB 3.71Å; L248-L279 HydrophobicContact CD1-CD1 3.91Å; L248-L279 HydrophobicContact CD1-CG 4.41Å
249N96.4Very high95.9Very high142 Ų14264 Ų6476%0.75933%0.332SS*.THydrogen-bonded Turntrans54.743.5-176.5-16744.9000113.2L245 E246L245-N249 PolarHBondContact O-N 3.41Å; E246-N249 WeakPolarHBondContact O-CA 3.39Å; E246-N249 PolarHBondContact O-N 2.83Å
250I97.7Very high95.8Very high12 Ų1259.5 Ų59.56%0.06232%0.32CS..  trans-106.2123.6179.2-58.1172.7000109.4L245 L248 L266 Q270 L271 I275 L279L245-I250 HydrophobicContact CB-CB 4.43Å; L245-I250 HydrophobicContact CD2-CB 4.15Å; L245-I250 HydrophobicContact CD2-CD1 4.44Å; L245-I250 HydrophobicContact CD2-CG2 4.05Å; L245-I250 PolarHBondContact O-N 2.92Å; L248-I250 VanDerWaalsContact C-N 3.31Å; L248-I250 HydrophobicContact CB-CD1 3.72Å; L248-I250 HydrophobicContact CB-CG1 3.88Å; L248-I250 HydrophobicContact CD1-CD1 4.15Å; L248-I250 PolarHBondContact O-N 3.32Å; I250-L266 HydrophobicContact CG2-CD2 4.46Å; I250-Q270 HydrophobicContact CG2-CB 4.47Å; I250-L271 HydrophobicContact CD1-CD2 3.98Å; I250-I275 HydrophobicContact CD1-CG2 3.67Å; I250-I275 HydrophobicContact CG1-CG2 4.32Å; I250-L279 HydrophobicContact CD1-CD2 3.91Å
251C94.9Very high95.8Very high82 Ų8259 Ų5955%0.55432%0.323SS*.  trans-83.6137168.9-60.50000110.3Q270C251-Q270 PolarHBondContact O-NE2 3.19Å
252F95.7Very high95.7Very high80 Ų8059 Ų5935%0.35132%0.323SS..  trans-102.1161.6167.479.3-80.8000110.9L242 L245 M255 I264L242-F252 HydrophobicContact CD2-CD1 3.69Å; L242-F252 HydrophobicContact CD2-CE1 3.41Å; L242-F252 VanDerWaalsContact CD2-CE1 3.41Å; L242-F252 HydrophobicContact CD2-CZ 4.02Å; L245-F252 HydrophobicContact CD1-CB 4.06Å; L245-F252 HydrophobicContact CD1-CD1 4.27Å; L245-F252 HydrophobicContact CD1-CG 4.44Å; F252-M255 HydrophobicContact CD2-CB 3.94Å; F252-M255 HydrophobicContact CE2-CB 3.76Å; F252-I264 HydrophobicContact CB-CG2 3.73Å; F252-I264 HydrophobicContact CG-CG2 4.45Å
253E92.9Very high95.7Very high48 Ų4857.7 Ų57.722%0.22432%0.318CS..SBendtrans-113.1-52.7-169.7-65.2-71.2-165.500110.9Y164 F221 I265 R267Y164-E253 WeakPolarHBondContact CE2-OE2 3.46Å; Y164-E253 VanDerWaalsContact OH-CB 3.26Å; Y164-E253 WeakPolarHBondContact OH-CB 3.25Å; Y164-E253 PolarHBondContact OH-OE2 2.91Å; F221-E253 HydrophobicContact CD1-CG 4.34Å; F221-E253 HydrophobicContact CE1-CB 4.42Å; F221-E253 HydrophobicContact CE1-CG 3.94Å; E253-I265 WeakPolarHBondContact CB-O 3.25Å; E253-I265 PolarHBondContact N-O 2.86Å; E253-R267 HydrophobicContact CG-CG 4.32Å; E253-R267 WeakPolarHBondContact OE1-CD 3.07Å; E253-R267 WeakPolarHBondContact OE1-CG 3.26Å; E253-R267 IonicContact OE1-CZ 3.46Å; E253-R267 IonicContact OE1-NE 2.71Å; E253-R267 PolarHBondContact OE1-NE 3.28Å
254H93.9Very high95.7Very high24 Ų2454.4 Ų54.411%0.11130%0.303CS..BIsolated β-bridgetrans-136.3147175.3-57.3-70.4000110.6Y164 I265 M331 I342Y164-H254 AromaticContact CE1-NE2 3.71Å; Y164-H254 AromaticContact CZ-NE2 3.94Å; Y164-H254 PolarHBondContact OH-NE2 3.17Å; H254-I265 HydrophobicContact CB-CB 4.08Å; H254-I265 HydrophobicContact CB-CG1 4.19Å; H254-I265 PolarHBondContact N-O 2.84Å; H254-I265 PolarHBondContact O-N 3.02Å; H254-M331 HydrophobicContact CB-CE 3.77Å; H254-M331 HydrophobicContact CB-SD 3.69Å; H254-I342 WeakPolarHBondContact CE1-CD1 3.35Å
255M95.1Very high95.6Very high50 Ų5054.7 Ų54.725%0.24630%0.304CS..  trans-142.271.8179.2-170.217762.800111.8V238 L242 F252 I262 S263 I264V238-M255 HydrophobicContact CG1-CE 3.42Å; V238-M255 VanDerWaalsContact CG1-CE 3.42Å; V238-M255 HydrophobicContact CG1-SD 4.26Å; L242-M255 HydrophobicContact CD1-CE 4.4Å; L242-M255 HydrophobicContact CD2-CE 4.28Å; L242-M255 HydrophobicContact CD2-SD 4.07Å; F252-M255 HydrophobicContact CD2-CB 3.94Å; F252-M255 HydrophobicContact CE2-CB 3.76Å; M255-I262 HydrophobicContact CG-CG2 3.52Å; M255-I262 HydrophobicContact SD-CG2 4.01Å; M255-S263 CarbonylContact C-O 3.56Å; M255-S263 WeakPolarHBondContact CA-O 3.3Å; M255-I264 HydrophobicContact CG-CG1 4.28Å; M255-I264 HydrophobicContact SD-CG1 4.47Å
256P92.9Very high95.6Very high46 Ų4654.5 Ų54.530%0.29930%0.303SS..  trans-66.5144.6171.331.6-37.2000110.4S263 M331P256-S263 WeakPolarHBondContact CD-O 3.38Å; P256-S263 PolarHBondContact O-N 3.01Å; P256-M331 HydrophobicContact CG-CG 3.96Å; P256-M331 HydrophobicContact CG-SD 3.81Å
257S93Very high95.4Very high90 Ų9050.3 Ų50.363%0.62928%0.282SS*.BIsolated β-bridgetrans-132.4147.1178.961.10000112.1D261S257-D261 WeakPolarHBondContact CA-O 3.47Å
258G91.5Very high95.4Very high32 Ų3249.1 Ų49.133%0.3327%0.273SS..  trans-111.1-165.3172.200000112.1D261G258-D261 PolarHBondContact N-O 2.84Å
259I93.3Very high95.3Very high108 Ų10856.9 Ų56.955%0.55430%0.3SS*.SBendtrans-71.6-39.4175.2-64.2174000110.4L231 N232L231-I259 PolarHBondContact N-O 3.28Å; N232-I259 WeakPolarHBondContact CB-O 3.27Å; N232-I259 PolarHBondContact N-O 2.69Å; N232-I259 PolarHBondContact OD1-O 2.84Å
260D95.8Very high95.3Very high64 Ų6451.9 Ų51.934%0.34227%0.272SS..SBendtrans-118.40-172.6-63.2-42.7000113.3G227 K228 L230G227-D260 CarbonylContact C-O 3.51Å; G227-D260 WeakPolarHBondContact CA-O 3.32Å; K228-D260 CarbonylContact C-O 3.6Å; K228-D260 PolarHBondContact N-O 3.48Å; K228-D260 CarbonylContact O-C 3.48Å; K228-D260 VanDerWaalsContact O-CA 3.31Å; K228-D260 WeakPolarHBondContact O-CA 3Å; L230-D260 PolarHBondContact N-OD1 2.93Å
261D95Very high95.3Very high66 Ų6652.1 Ų52.135%0.35327%0.273SS..EExtended strand (participates in β ladder)trans-145.7155-175.867.996.4000113.6V226 S257 G258V226-D261 CarbonylContact O-C 3.5Å; V226-D261 VanDerWaalsContact O-CA 3.24Å; V226-D261 WeakPolarHBondContact O-CA 3.24Å; S257-D261 WeakPolarHBondContact CA-O 3.47Å; G258-D261 PolarHBondContact N-O 2.84Å
262I96.4Very high95.3Very high1 Ų151.8 Ų51.81%0.00527%0.268CS..EExtended strand (participates in β ladder)trans-128.4131.4166.9-65.3172.6000107T225 V226 L231 V238 I241 M255 I264T225-I262 WeakPolarHBondContact CA-O 3.24Å; V226-I262 PolarHBondContact N-O 2.91Å; V226-I262 PolarHBondContact O-N 3.43Å; L231-I262 HydrophobicContact CD1-CD1 4.3Å; L231-I262 HydrophobicContact CD1-CG1 4.22Å; L231-I262 HydrophobicContact CD2-CD1 3.49Å; L231-I262 VanDerWaalsContact CD2-CD1 3.49Å; L231-I262 HydrophobicContact CD2-CG1 3.69Å; V238-I262 HydrophobicContact CG2-CD1 3.71Å; I241-I262 HydrophobicContact CD1-CD1 3.79Å; M255-I262 HydrophobicContact CG-CG2 3.52Å; M255-I262 HydrophobicContact SD-CG2 4.01Å; I262-I264 HydrophobicContact CG2-CG1 4.1Å
263S96.6Very high95.3Very high26 Ų2658.9 Ų58.918%0.18229%0.293CS..EExtended strand (participates in β ladder)trans-105.2141.4166-62.70000110I224 T225 M255 P256I224-S263 CarbonylContact O-C 3.55Å; I224-S263 VanDerWaalsContact O-CA 3.25Å; I224-S263 WeakPolarHBondContact O-CA 3.31Å; T225-S263 PolarHBondContact OG1-OG 3.07Å; M255-S263 CarbonylContact C-O 3.56Å; M255-S263 WeakPolarHBondContact CA-O 3.3Å; P256-S263 WeakPolarHBondContact CD-O 3.38Å; P256-S263 PolarHBondContact O-N 3.01Å
264I97.7Very high95.6Very high0 Ų063 Ų630%032%0.317CS..EExtended strand (participates in β ladder)trans-124.2111.3-179.1-48.9167.1000107.1G223 I224 I241 L245 F252 M255 I262 L266G223-I264 CarbonylContact C-O 3.43Å; G223-I264 WeakPolarHBondContact CA-O 3.35Å; I224-I264 HydrophobicContact CB-CB 4.38Å; I224-I264 PolarHBondContact N-O 3.44Å; I224-I264 PolarHBondContact O-N 2.96Å; I241-I264 HydrophobicContact CG2-CD1 3.37Å; I241-I264 HydrophobicContact CG2-CG1 4.44Å; L245-I264 HydrophobicContact CD1-CG2 4.15Å; F252-I264 HydrophobicContact CB-CG2 3.73Å; F252-I264 HydrophobicContact CG-CG2 4.45Å; M255-I264 HydrophobicContact CG-CG1 4.28Å; M255-I264 HydrophobicContact SD-CG1 4.47Å; I262-I264 HydrophobicContact CG2-CG1 4.1Å; I264-L266 HydrophobicContact CG2-CD2 4.31Å
265I97.2Very high95.7Very high7 Ų764.7 Ų64.74%0.03633%0.326CS..EExtended strand (participates in β ladder)trans-91.1132.2172.7-53.9-54000108.1F221 C222 E253 H254 L298 V300 M331F221-I265 HydrophobicContact CB-CG2 4.18Å; F221-I265 HydrophobicContact CD1-CG2 3.84Å; F221-I265 HydrophobicContact CG-CG2 4.36Å; C222-I265 WeakPolarHBondContact O-CA 3.46Å; E253-I265 WeakPolarHBondContact CB-O 3.25Å; E253-I265 PolarHBondContact N-O 2.86Å; H254-I265 HydrophobicContact CB-CB 4.08Å; H254-I265 HydrophobicContact CB-CG1 4.19Å; H254-I265 PolarHBondContact N-O 2.84Å; H254-I265 PolarHBondContact O-N 3.02Å; I265-L298 HydrophobicContact CD1-CD1 4.25Å; I265-V300 HydrophobicContact CG2-CG2 4.4Å; I265-M331 HydrophobicContact CD1-SD 4.41Å; I265-M331 HydrophobicContact CG1-CE 4.08Å; I265-M331 HydrophobicContact CG1-SD 3.55Å; I265-M331 VanDerWaalsContact CG1-SD 3.55Å
266L97.2Very high95.9Very high0 Ų064.4 Ų64.40%032%0.324CS..EExtended strand (participates in β ladder)trans-149.4162.4179.764.494.5000110.8F221 C222 I224 I250 I264 E268 L271F221-L266 CarbonylContact C-O 3.54Å; F221-L266 VanDerWaalsContact CA-O 3.29Å; F221-L266 WeakPolarHBondContact CA-O 3.29Å; C222-L266 PolarHBondContact N-O 3.44Å; C222-L266 PolarHBondContact O-N 3.42Å; C222-L266 WeakPolarHBondContact SG-CD1 3.5Å; I224-L266 HydrophobicContact CD1-CD2 3.83Å; I224-L266 HydrophobicContact CG1-CD2 4.45Å; I250-L266 HydrophobicContact CG2-CD2 4.46Å; I264-L266 HydrophobicContact CG2-CD2 4.31Å; L266-E268 PolarHBondContact O-N 2.92Å; L266-L271 HydrophobicContact CD1-CD1 3.82Å; L266-L271 HydrophobicContact CD1-CD2 4.08Å; L266-L271 HydrophobicContact CD1-CG 3.71Å
267R95.7Very high96.1Very high47 Ų4765.2 Ų65.218%0.17733%0.334CS..EExtended strand (participates in β ladder)trans-73.8122177-66.3-175.2176.4-93.33.3111.2D218 G220 F221 E253 R269 Q270D218-R267 IonicContact OD2-CZ 3.22Å; D218-R267 IonicContact OD2-NH1 3.22Å; D218-R267 PolarHBondContact OD2-NH1 3.02Å; D218-R267 IonicContact OD2-NH2 3.31Å; D218-R267 PolarHBondContact OD2-NH2 3.38Å; G220-R267 CarbonylContact O-C 3.59Å; F221-R267 HydrophobicContact CD1-CG 4.31Å; F221-R267 HydrophobicContact CE1-CG 3.99Å; F221-R267 HydrophobicContact CZ-CG 4.48Å; E253-R267 HydrophobicContact CG-CG 4.32Å; E253-R267 WeakPolarHBondContact OE1-CD 3.07Å; E253-R267 WeakPolarHBondContact OE1-CG 3.26Å; E253-R267 IonicContact OE1-CZ 3.46Å; E253-R267 IonicContact OE1-NE 2.71Å; E253-R267 PolarHBondContact OE1-NE 3.28Å; R267-R269 HydrophobicContact CB-CG 4.17Å; R267-R269 PolarHBondContact O-N 2.83Å; R267-R269 VanDerWaalsContact O-N 3.16Å; R267-Q270 HydrophobicContact CB-CG 4.49Å; R267-Q270 WeakPolarHBondContact O-CB 3.45Å; R267-Q270 PolarHBondContact O-N 2.91Å
268E96.7Very high96.4Very high67 Ų6764.3 Ų64.331%0.31332%0.32SS..G310 helixtrans-58.7-30.4-176.8-168.6175.6155.300112G220 L266 Q270 L271 H296 G297G220-E268 WeakPolarHBondContact O-CB 3.48Å; G220-E268 PolarHBondContact O-N 3.05Å; L266-E268 PolarHBondContact O-N 2.92Å; E268-Q270 PolarHBondContact O-N 3.2Å; E268-L271 WeakPolarHBondContact O-CB 3.36Å; E268-L271 PolarHBondContact O-N 3.41Å; E268-H296 IonicContact OE1-ND1 2.84Å; E268-G297 PolarHBondContact OE2-N 3Å
269R95.6Very high96.7Very high203 Ų20362.8 Ų62.877%0.76630%0.304SS*.G310 helixtrans-59.6-18.5175.971.9179.8177.482.3-0.2114.9R267 L271R267-R269 HydrophobicContact CB-CG 4.17Å; R267-R269 PolarHBondContact O-N 2.83Å; R267-R269 VanDerWaalsContact O-N 3.16Å; R269-L271 VanDerWaalsContact C-N 3.3Å
270Q96.8Very high96.9Very high36 Ų3659.2 Ų59.217%0.16829%0.286CS..G310 helixtrans-79.1-18.2175.1-62.2178.5100.200111.9I250 C251 R267 E268I250-Q270 HydrophobicContact CG2-CB 4.47Å; C251-Q270 PolarHBondContact O-NE2 3.19Å; R267-Q270 HydrophobicContact CB-CG 4.49Å; R267-Q270 WeakPolarHBondContact O-CB 3.45Å; R267-Q270 PolarHBondContact O-N 2.91Å; E268-Q270 PolarHBondContact O-N 3.2Å
271L96.6Very high97.1Very high18 Ų1861 Ų619%0.09429%0.29CS..  trans-99.688.5-176.4-61-168.4000110.5C222 I250 L266 E268 R269 I275 E276 L279 I294C222-L271 WeakPolarHBondContact SG-CD1 3.11Å; I250-L271 HydrophobicContact CD1-CD2 3.98Å; L266-L271 HydrophobicContact CD1-CD1 3.82Å; L266-L271 HydrophobicContact CD1-CD2 4.08Å; L266-L271 HydrophobicContact CD1-CG 3.71Å; E268-L271 WeakPolarHBondContact O-CB 3.36Å; E268-L271 PolarHBondContact O-N 3.41Å; R269-L271 VanDerWaalsContact C-N 3.3Å; L271-I275 HydrophobicContact CD2-CG2 4.09Å; L271-E276 HydrophobicContact CB-CB 4.22Å; L271-E276 HydrophobicContact CD1-CB 4.47Å; L271-E276 HydrophobicContact CD1-CG 4.27Å; L271-L279 HydrophobicContact CD2-CD2 3.94Å; L271-I294 HydrophobicContact CD1-CD1 3.7Å
272T96.1Very high97.2Very high74 Ų7458.9 Ų58.945%0.45428%0.278SS..  trans-67.2160.8157.569.20000109D274 I275 E276T272-D274 PolarHBondContact O-N 3.28Å; T272-D274 VanDerWaalsContact O-N 3.13Å; T272-I275 HydrophobicContact CG2-CD1 4.23Å; T272-I275 PolarHBondContact O-N 3.4Å; T272-I275 VanDerWaalsContact O-N 3.12Å; T272-I275 WeakPolarHBondContact OG1-CD1 3.14Å; T272-I275 VanDerWaalsContact OG1-CG1 3.3Å; T272-I275 WeakPolarHBondContact OG1-CG1 3.36Å; T272-I275 PolarHBondContact OG1-N 3.11Å; T272-E276 WeakPolarHBondContact O-CB 3.5Å; T272-E276 PolarHBondContact O-N 3.16Å
273R96.1Very high97.3Very high229 Ų22958.9 Ų58.986%0.86428%0.279SS*.Hα-helixtrans-52.5-38.7178.5-69-177.8179.6177.6-0112.9A277R273-A277 WeakPolarHBondContact O-CB 3.29Å; R273-A277 PolarHBondContact O-N 2.66Å; R273-A277 VanDerWaalsContact O-N 3.1Å
274D97.6Very high97.3Very high136 Ų13662.3 Ų62.373%0.72729%0.292SS*.Hα-helixtrans-74.4-42.2-179.2-61.4-26.7000111.7T272 A277 E278T272-D274 PolarHBondContact O-N 3.28Å; T272-D274 VanDerWaalsContact O-N 3.13Å; D274-A277 PolarHBondContact O-N 3.32Å; D274-E278 WeakPolarHBondContact O-CB 3.39Å; D274-E278 PolarHBondContact O-N 3.31Å
275I97.7Very high97.3Very high58 Ų5867.9 Ų67.930%0.29732%0.317SS..Hα-helixtrans-64.6-43.4177-68.3171.6000110.7I250 L271 T272 E278 L279I250-I275 HydrophobicContact CD1-CG2 3.67Å; I250-I275 HydrophobicContact CG1-CG2 4.32Å; L271-I275 HydrophobicContact CD2-CG2 4.09Å; T272-I275 HydrophobicContact CG2-CD1 4.23Å; T272-I275 PolarHBondContact O-N 3.4Å; T272-I275 VanDerWaalsContact O-N 3.12Å; T272-I275 WeakPolarHBondContact OG1-CD1 3.14Å; T272-I275 VanDerWaalsContact OG1-CG1 3.3Å; T272-I275 WeakPolarHBondContact OG1-CG1 3.36Å; T272-I275 PolarHBondContact OG1-N 3.11Å; I275-E278 PolarHBondContact O-N 2.82Å; I275-L279 VanDerWaalsContact O-CB 3.26Å; I275-L279 WeakPolarHBondContact O-CB 3.31Å; I275-L279 PolarHBondContact O-N 3.11Å
276E98.2Very high97.3Very high45 Ų4572.2 Ų72.221%0.2134%0.336CS..Hα-helixtrans-61.1-48.7176.3-174.5176.5144.900111.3L271 T272 E278 L279 M280 I294 H296L271-E276 HydrophobicContact CB-CB 4.22Å; L271-E276 HydrophobicContact CD1-CB 4.47Å; L271-E276 HydrophobicContact CD1-CG 4.27Å; T272-E276 WeakPolarHBondContact O-CB 3.5Å; T272-E276 PolarHBondContact O-N 3.16Å; E276-E278 VanDerWaalsContact C-N 3.3Å; E276-E278 PolarHBondContact O-N 3.48Å; E276-L279 PolarHBondContact O-N 3.04Å; E276-M280 HydrophobicContact CG-CG 4.32Å; E276-M280 WeakPolarHBondContact O-CB 3.46Å; E276-M280 WeakPolarHBondContact O-CG 3.5Å; E276-M280 PolarHBondContact O-N 3.43Å; E276-I294 HydrophobicContact CG-CD1 4.05Å; E276-H296 VanDerWaalsContact CD-NE2 3.3Å; E276-H296 IonicContact OE1-CE1 3.86Å; E276-H296 IonicContact OE1-NE2 2.67Å; E276-H296 PolarHBondContact OE1-NE2 2.84Å; E276-H296 IonicContact OE2-CE1 2.76Å; E276-H296 PolarHBondContact OE2-CE1 2.84Å; E276-H296 IonicContact OE2-NE2 3.92Å; E276-H296 PolarHBondContact OE2-NE2 2.86Å; E276-H296 VanDerWaalsContact OE2-NE2 3.07Å
277A98.1Very high97.2Very high62 Ų6272.3 Ų72.351%0.51234%0.337SS..Hα-helixtrans-59.4-42.8179.100000111.8R273 D274 K281R273-A277 WeakPolarHBondContact O-CB 3.29Å; R273-A277 PolarHBondContact O-N 2.66Å; R273-A277 VanDerWaalsContact O-N 3.1Å; D274-A277 PolarHBondContact O-N 3.32Å; A277-K281 VanDerWaalsContact O-CB 3.23Å; A277-K281 WeakPolarHBondContact O-CB 3.21Å; A277-K281 PolarHBondContact O-N 3.03Å
278E98.3Very high97.2Very high71 Ų7176.5 Ų76.533%0.33236%0.358SS..Hα-helixtrans-69.1-41.8177.5-176.958.1-157.900112.2L248 D274 I275 E276 K281 Q282L248-E278 HydrophobicContact CD2-CG 3.98Å; D274-E278 WeakPolarHBondContact O-CB 3.39Å; D274-E278 PolarHBondContact O-N 3.31Å; I275-E278 PolarHBondContact O-N 2.82Å; E276-E278 VanDerWaalsContact C-N 3.3Å; E276-E278 PolarHBondContact O-N 3.48Å; E278-K281 PolarHBondContact O-N 2.86Å; E278-K281 IonicContact OE2-NZ 3.13Å; E278-Q282 WeakPolarHBondContact O-CB 3.46Å; E278-Q282 WeakPolarHBondContact O-CG 3.26Å; E278-Q282 PolarHBondContact O-N 3.23Å; E278-Q282 WeakPolarHBondContact OE1-CG 3.46Å; E278-Q282 PolarHBondContact OE1-NE2 2.94Å
279L98.3Very high97.2Very high0 Ų073.9 Ų73.90%035%0.347CS..Hα-helixtrans-57.4-51.7175173.558.4000111.2I224 I244 L245 L248 I250 L271 I275 E276 K281 Q282 I283I224-L279 HydrophobicContact CD1-CD2 3.47Å; I224-L279 VanDerWaalsContact CD1-CD2 3.47Å; I224-L279 HydrophobicContact CD1-CG 4.23Å; I244-L279 HydrophobicContact CG2-CD1 3.7Å; L245-L279 HydrophobicContact CD2-CD1 3.7Å; L245-L279 HydrophobicContact CD2-CD2 4.17Å; L248-L279 HydrophobicContact CD1-CB 3.71Å; L248-L279 HydrophobicContact CD1-CD1 3.91Å; L248-L279 HydrophobicContact CD1-CG 4.41Å; I250-L279 HydrophobicContact CD1-CD2 3.91Å; L271-L279 HydrophobicContact CD2-CD2 3.94Å; I275-L279 VanDerWaalsContact O-CB 3.26Å; I275-L279 WeakPolarHBondContact O-CB 3.31Å; I275-L279 PolarHBondContact O-N 3.11Å; E276-L279 PolarHBondContact O-N 3.04Å; L279-K281 VanDerWaalsContact C-N 3.34Å; L279-K281 PolarHBondContact O-N 2.92Å; L279-Q282 PolarHBondContact O-N 3.46Å; L279-I283 HydrophobicContact CD1-CD1 3.8Å; L279-I283 HydrophobicContact CD1-CG1 4.23Å; L279-I283 HydrophobicContact CG-CD1 4.09Å; L279-I283 WeakPolarHBondContact O-CG1 3.42Å; L279-I283 PolarHBondContact O-N 2.92Å
280M98.2Very high97.2Very high34 Ų3469.9 Ų69.917%0.16734%0.341CS..Hα-helixtrans-63.8-41.6-178.4-64.5-60.3-78.400111.1I224 E276 I283 E284 L292 I294I224-M280 HydrophobicContact CD1-SD 4.27Å; I224-M280 HydrophobicContact CG1-SD 4.45Å; I224-M280 HydrophobicContact CG2-SD 4.22Å; E276-M280 HydrophobicContact CG-CG 4.32Å; E276-M280 WeakPolarHBondContact O-CB 3.46Å; E276-M280 WeakPolarHBondContact O-CG 3.5Å; E276-M280 PolarHBondContact O-N 3.43Å; M280-I283 PolarHBondContact O-N 3.35Å; M280-E284 WeakPolarHBondContact O-CB 3.34Å; M280-E284 PolarHBondContact O-N 3.3Å; M280-L292 HydrophobicContact CB-CD2 4.49Å; M280-L292 HydrophobicContact CE-CD1 3.97Å; M280-L292 HydrophobicContact CE-CD2 3.82Å; M280-L292 HydrophobicContact CE-CG 3.52Å; M280-L292 WeakPolarHBondContact O-CD2 3.24Å; M280-L292 HydrophobicContact SD-CD1 4.41Å; M280-L292 HydrophobicContact SD-CD2 4.35Å; M280-L292 HydrophobicContact SD-CG 4.4Å; M280-I294 HydrophobicContact CE-CB 4.06Å; M280-I294 HydrophobicContact CE-CG2 4.08Å; M280-I294 HydrophobicContact SD-CB 4.38Å
281K98.3Very high97.2Very high100 Ų10074.1 Ų74.144%0.43536%0.361SS..Hα-helixtrans-61.5-46.9174.7178.8-171.2163.6-153.50112.2A277 E278 L279 I283 E284 E285A277-K281 VanDerWaalsContact O-CB 3.23Å; A277-K281 WeakPolarHBondContact O-CB 3.21Å; A277-K281 PolarHBondContact O-N 3.03Å; E278-K281 PolarHBondContact O-N 2.86Å; E278-K281 IonicContact OE2-NZ 3.13Å; L279-K281 VanDerWaalsContact C-N 3.34Å; L279-K281 PolarHBondContact O-N 2.92Å; K281-I283 VanDerWaalsContact C-N 3.32Å; K281-I283 PolarHBondContact O-N 3.47Å; K281-E284 WeakPolarHBondContact O-CB 3.42Å; K281-E284 PolarHBondContact O-N 2.84Å; K281-E285 WeakPolarHBondContact CE-OE1 3.39Å; K281-E285 HydrophobicContact CG-CG 4.41Å; K281-E285 WeakPolarHBondContact O-CB 3.41Å; K281-E285 WeakPolarHBondContact O-CG 3.48Å; K281-E285 PolarHBondContact O-N 3.26Å
282Q98.2Very high97.3Very high22 Ų2275.1 Ų75.110%0.10337%0.366CS..Hα-helixtrans-65-37.1179.8-75.3-164.540.100112.4I244 E278 L279 K286I244-Q282 HydrophobicContact CD1-CB 4.39Å; I244-Q282 HydrophobicContact CG1-CB 4.36Å; I244-Q282 HydrophobicContact CG2-CB 3.68Å; E278-Q282 WeakPolarHBondContact O-CB 3.46Å; E278-Q282 WeakPolarHBondContact O-CG 3.26Å; E278-Q282 PolarHBondContact O-N 3.23Å; E278-Q282 WeakPolarHBondContact OE1-CG 3.46Å; E278-Q282 PolarHBondContact OE1-NE2 2.94Å; L279-Q282 PolarHBondContact O-N 3.46Å; Q282-K286 HydrophobicContact CB-CD 4.48Å; Q282-K286 WeakPolarHBondContact O-CB 3.17Å; Q282-K286 WeakPolarHBondContact O-CG 3.42Å; Q282-K286 PolarHBondContact O-N 2.89Å
283I97.8Very high97.4Very high2 Ų273.8 Ų73.81%0.0136%0.36CS..Hα-helixtrans-62.4-50.7172.7-67.3169.8000109.3I224 V226 I244 L279 M280 K281 E285 I287 P289 L292I224-I283 HydrophobicContact CG2-CD1 4.28Å; V226-I283 HydrophobicContact CG1-CG2 4.32Å; V226-I283 HydrophobicContact CG2-CG2 4.06Å; I244-I283 HydrophobicContact CD1-CG1 4.08Å; I244-I283 HydrophobicContact CG2-CG1 4.44Å; L279-I283 HydrophobicContact CD1-CD1 3.8Å; L279-I283 HydrophobicContact CD1-CG1 4.23Å; L279-I283 HydrophobicContact CG-CD1 4.09Å; L279-I283 WeakPolarHBondContact O-CG1 3.42Å; L279-I283 PolarHBondContact O-N 2.92Å; M280-I283 PolarHBondContact O-N 3.35Å; K281-I283 VanDerWaalsContact C-N 3.32Å; K281-I283 PolarHBondContact O-N 3.47Å; I283-E285 VanDerWaalsContact C-N 3.34Å; I283-E285 PolarHBondContact O-N 2.81Å; I283-I287 HydrophobicContact CG2-CB 4.19Å; I283-I287 HydrophobicContact CG2-CG1 4.08Å; I283-I287 WeakPolarHBondContact O-CA 3.3Å; I283-I287 WeakPolarHBondContact O-CB 3.43Å; I283-I287 WeakPolarHBondContact O-CG1 3.45Å; I283-I287 PolarHBondContact O-N 2.8Å; I283-P289 HydrophobicContact CG2-CG 4.47Å; I283-L292 HydrophobicContact CB-CD2 4.12Å; I283-L292 HydrophobicContact CG2-CD1 3.74Å; I283-L292 HydrophobicContact CG2-CD2 3.91Å; I283-L292 HydrophobicContact CG2-CG 4.46Å
284E97.9Very high97.5Very high98 Ų9864.9 Ų64.946%0.45833%0.329SS..Hα-helixtrans-54.9-48.4179.3-165.171.2-171.100112M280 K281 Q288 L292M280-E284 WeakPolarHBondContact O-CB 3.34Å; M280-E284 PolarHBondContact O-N 3.3Å; K281-E284 WeakPolarHBondContact O-CB 3.42Å; K281-E284 PolarHBondContact O-N 2.84Å; E284-Q288 VanDerWaalsContact O-CA 3.24Å; E284-Q288 WeakPolarHBondContact O-CA 3.49Å; E284-Q288 PolarHBondContact O-N 3.04Å; E284-L292 HydrophobicContact CB-CD2 4.37Å; E284-L292 WeakPolarHBondContact OE2-CD2 2.91Å
285E97.2Very high97.5Very high116 Ų11661 Ų6154%0.54231%0.306SS..Hα-helixtrans-72.7-44.9-176.3-70.7177.5175.200113.3K281 I283K281-E285 WeakPolarHBondContact CE-OE1 3.39Å; K281-E285 HydrophobicContact CG-CG 4.41Å; K281-E285 WeakPolarHBondContact O-CB 3.41Å; K281-E285 WeakPolarHBondContact O-CG 3.48Å; K281-E285 PolarHBondContact O-N 3.26Å; I283-E285 VanDerWaalsContact C-N 3.34Å; I283-E285 PolarHBondContact O-N 2.81Å
286K95.8Very high97.5Very high99 Ų9961.5 Ų61.543%0.4331%0.307SS..Hα-helixtrans-88.9-27.7-172.6-64.4173.4173.5174.90113.1I244 D247 Q282I244-K286 HydrophobicContact CD1-CB 4.14Å; I244-K286 HydrophobicContact CD1-CD 3.93Å; I244-K286 HydrophobicContact CG1-CD 3.78Å; D247-K286 IonicContact OD2-NZ 2.76Å; Q282-K286 HydrophobicContact CB-CD 4.48Å; Q282-K286 WeakPolarHBondContact O-CB 3.17Å; Q282-K286 WeakPolarHBondContact O-CG 3.42Å; Q282-K286 PolarHBondContact O-N 2.89Å
287I95.6Very high97.5Very high1 Ų160.7 Ų60.71%0.00531%0.311CS..Hα-helixtrans-100-32.7-177.8-53.4-55.3000111.4V226 K228 I237 R240 I241 I244 I283V226-I287 HydrophobicContact CG1-CG2 3.94Å; K228-I287 PolarHBondContact NZ-O 2.98Å; I237-I287 HydrophobicContact CD1-CB 4.46Å; I237-I287 HydrophobicContact CD1-CD1 3.9Å; I237-I287 HydrophobicContact CD1-CG2 3.5Å; R240-I287 HydrophobicContact CB-CD1 3.66Å; I241-I287 HydrophobicContact CG1-CD1 3.76Å; I241-I287 HydrophobicContact CG1-CG1 3.95Å; I244-I287 HydrophobicContact CD1-CD1 4.27Å; I244-I287 HydrophobicContact CD1-CG1 4.11Å; I283-I287 HydrophobicContact CG2-CB 4.19Å; I283-I287 HydrophobicContact CG2-CG1 4.08Å; I283-I287 WeakPolarHBondContact O-CA 3.3Å; I283-I287 WeakPolarHBondContact O-CB 3.43Å; I283-I287 WeakPolarHBondContact O-CG1 3.45Å; I283-I287 PolarHBondContact O-N 2.8Å
288Q95.3Very high97.5Very high135 Ų13557.9 Ų57.963%0.63129%0.287SS*.  trans50.758.8-175.8-55.1179.5-50.300111.1K228 E284K228-Q288 WeakPolarHBondContact CE-O 3.38Å; K228-Q288 PolarHBondContact NZ-O 3.29Å; E284-Q288 VanDerWaalsContact O-CA 3.24Å; E284-Q288 WeakPolarHBondContact O-CA 3.49Å; E284-Q288 PolarHBondContact O-N 3.04Å
289P96.8Very high97.4Very high12 Ų1254.5 Ų54.58%0.07827%0.272CS..  trans-69.4155.317832.6-34.2000111.1V226 G227 I283 Q291 L292V226-P289 HydrophobicContact CG1-CB 3.81Å; V226-P289 HydrophobicContact CG1-CG 4.43Å; G227-P289 CarbonylContact O-C 3.43Å; G227-P289 VanDerWaalsContact O-CB 3.31Å; G227-P289 WeakPolarHBondContact O-CB 3.28Å; I283-P289 HydrophobicContact CG2-CG 4.47Å; P289-Q291 VanDerWaalsContact C-N 3.32Å; P289-L292 HydrophobicContact CG-CB 3.85Å
290D97.2Very high97.2Very high120 Ų12054.5 Ų54.564%0.64227%0.272SS*.SBendtrans-75.9-27.9169.8-61.5-46.8000111.1G227 K228 Y229G227-D290 PolarHBondContact O-N 3.08Å; K228-D290 WeakPolarHBondContact CA-OD2 3.49Å; Y229-D290 PolarHBondContact N-OD2 2.76Å
291Q96.7Very high97.1Very high124 Ų12453 Ų5358%0.57926%0.264SS*.EExtended strand (participates in β ladder)trans-142130.5176.6-177.8177.90.100110.2G227 P289G227-Q291 PolarHBondContact N-O 2.68Å; G227-Q291 PolarHBondContact O-N 3.1Å; P289-Q291 VanDerWaalsContact C-N 3.32Å
292L98Very high97Very high39 Ų3948.2 Ų48.220%0.20424%0.243CC..EExtended strand (participates in β ladder)trans-130.5128.7172.1-178.360.2000109.1I224 T225 V226 M280 I283 E284 P289I224-L292 HydrophobicContact CG2-CD1 3.92Å; T225-L292 WeakPolarHBondContact O-CA 3.39Å; V226-L292 HydrophobicContact CG2-CD1 3.93Å; M280-L292 HydrophobicContact CB-CD2 4.49Å; M280-L292 HydrophobicContact CE-CD1 3.97Å; M280-L292 HydrophobicContact CE-CD2 3.82Å; M280-L292 HydrophobicContact CE-CG 3.52Å; M280-L292 WeakPolarHBondContact O-CD2 3.24Å; M280-L292 HydrophobicContact SD-CD1 4.41Å; M280-L292 HydrophobicContact SD-CD2 4.35Å; M280-L292 HydrophobicContact SD-CG 4.4Å; I283-L292 HydrophobicContact CB-CD2 4.12Å; I283-L292 HydrophobicContact CG2-CD1 3.74Å; I283-L292 HydrophobicContact CG2-CD2 3.91Å; I283-L292 HydrophobicContact CG2-CG 4.46Å; E284-L292 HydrophobicContact CB-CD2 4.37Å; E284-L292 WeakPolarHBondContact OE2-CD2 2.91Å; P289-L292 HydrophobicContact CG-CB 3.85Å
293S97.9Very high96.8Very high46 Ų4647.1 Ų47.132%0.32224%0.238SC..EExtended strand (participates in β ladder)trans-147.1153.6177.860.70000111.7I224 T225I224-S293 CarbonylContact C-O 2.82Å; I224-S293 WeakPolarHBondContact CA-O 3.26Å; T225-S293 PolarHBondContact N-O 2.81Å; T225-S293 PolarHBondContact O-N 3.06Å
294I98Very high96.7Very high43 Ų4347 Ų4722%0.22124%0.238CC..EExtended strand (participates in β ladder)trans-126.2132.1172.9-173.6166.8000109.2C222 G223 I224 L271 E276 M280C222-I294 HydrophobicContact CB-CD1 4.48Å; C222-I294 HydrophobicContact CB-CG1 4.38Å; G223-I294 CarbonylContact O-C 3.54Å; G223-I294 WeakPolarHBondContact O-CA 3.47Å; I224-I294 HydrophobicContact CD1-CD1 4.28Å; I224-I294 HydrophobicContact CG1-CB 4.26Å; I224-I294 HydrophobicContact CG1-CD1 3.87Å; I224-I294 HydrophobicContact CG1-CG1 3.91Å; L271-I294 HydrophobicContact CD1-CD1 3.7Å; E276-I294 HydrophobicContact CG-CD1 4.05Å; M280-I294 HydrophobicContact CE-CB 4.06Å; M280-I294 HydrophobicContact CE-CG2 4.08Å; M280-I294 HydrophobicContact SD-CB 4.38Å
295E97.8Very high96.5Very high55 Ų5542.4 Ų42.426%0.25722%0.216SC..EExtended strand (participates in β ladder)trans-114.1117171.9-176.8172.3-167.600109.2C222 G223 L298 R330 R346C222-E295 CarbonylContact C-O 3.54Å; C222-E295 WeakPolarHBondContact CA-O 3.44Å; C222-E295 VanDerWaalsContact CB-O 3.31Å; C222-E295 WeakPolarHBondContact CB-O 3.31Å; G223-E295 PolarHBondContact N-O 2.83Å; G223-E295 PolarHBondContact O-N 3.35Å; E295-L298 HydrophobicContact CG-CD2 4.03Å; E295-L298 HydrophobicContact CG-CG 4.46Å; E295-R330 VanDerWaalsContact CD-NH2 3.27Å; E295-R330 IonicContact OE1-CZ 3.4Å; E295-R330 VanDerWaalsContact OE1-CZ 3.24Å; E295-R330 IonicContact OE1-NE 3.71Å; E295-R330 PolarHBondContact OE1-NE 2.84Å; E295-R330 IonicContact OE1-NH2 2.98Å; E295-R330 PolarHBondContact OE1-NH2 2.76Å; E295-R330 IonicContact OE2-CZ 3.78Å; E295-R330 IonicContact OE2-NE 3.02Å; E295-R330 PolarHBondContact OE2-NE 2.81Å; E295-R330 IonicContact OE2-NH2 3.26Å; E295-R330 PolarHBondContact OE2-NH2 3.04Å; E295-R330 VanDerWaalsContact OE2-NH2 3.1Å; E295-R346 IonicContact OE1-NE 2.96Å; E295-R346 PolarHBondContact OE1-NE 2.92Å
296H98Very high96.2Very high68 Ų6838.9 Ų38.932%0.31520%0.2SC..EExtended strand (participates in β ladder)trans-90.5166.4175.4-68.6-74.4000111.7E268 E276E268-H296 IonicContact OE1-ND1 2.84Å; E276-H296 VanDerWaalsContact CD-NE2 3.3Å; E276-H296 IonicContact OE1-CE1 3.86Å; E276-H296 IonicContact OE1-NE2 2.67Å; E276-H296 PolarHBondContact OE1-NE2 2.84Å; E276-H296 IonicContact OE2-CE1 2.76Å; E276-H296 PolarHBondContact OE2-CE1 2.84Å; E276-H296 IonicContact OE2-NE2 3.92Å; E276-H296 PolarHBondContact OE2-NE2 2.86Å; E276-H296 VanDerWaalsContact OE2-NE2 3.07Å
297G97.5Very high95.9Very high28 Ų2836 Ų3629%0.28920%0.197SC..EExtended strand (participates in β ladder)trans71.141.317600000113.2F221 E268 S347F221-G297 PolarHBondContact O-N 3.2Å; E268-G297 PolarHBondContact OE2-N 3Å; G297-S347 WeakPolarHBondContact O-CB 3.1Å; G297-S347 PolarHBondContact O-N 2.9Å; G297-S347 PolarHBondContact O-OG 3.46Å
298L98Very high95.8Very high3 Ų336.1 Ų36.12%0.01620%0.198CC..EExtended strand (participates in β ladder)trans-94.7151.5170.3-57-179.1000111.1G220 F221 I265 E295 R330 I345 R346 S347G220-L298 PolarHBondContact N-O 3.49Å; F221-L298 HydrophobicContact CB-CB 4.07Å; F221-L298 PolarHBondContact N-O 2.89Å; F221-L298 WeakPolarHBondContact O-CA 3.39Å; F221-L298 WeakPolarHBondContact O-CB 3.39Å; F221-L298 PolarHBondContact O-N 3.26Å; I265-L298 HydrophobicContact CD1-CD1 4.25Å; E295-L298 HydrophobicContact CG-CD2 4.03Å; E295-L298 HydrophobicContact CG-CG 4.46Å; L298-R330 HydrophobicContact CD2-CG 3.96Å; L298-I345 CarbonylContact C-O 3.45Å; L298-I345 VanDerWaalsContact CA-O 3.3Å; L298-I345 WeakPolarHBondContact CA-O 3.49Å; L298-R346 HydrophobicContact CD2-CG 4.49Å; L298-S347 PolarHBondContact O-OG 2.76Å; L298-S347 VanDerWaalsContact O-OG 3.08Å
299S96.7Very high95.5Very high0 Ų035.8 Ų35.80%019%0.191CC..EExtended strand (participates in β ladder)trans-121143.6167.7-65.50000109.6D218 A344 I345 S347D218-S299 CarbonylContact O-C 3.55Å; D218-S299 VanDerWaalsContact O-CA 3.25Å; D218-S299 WeakPolarHBondContact O-CA 3.33Å; D218-S299 WeakPolarHBondContact O-CB 3.47Å; S299-A344 WeakPolarHBondContact O-CA 3.34Å; S299-I345 PolarHBondContact N-O 3.18Å; S299-I345 PolarHBondContact O-N 3.31Å; S299-S347 PolarHBondContact N-OG 3.07Å; S299-S347 VanDerWaalsContact OG-CA 3.31Å; S299-S347 WeakPolarHBondContact OG-CA 3.48Å; S299-S347 WeakPolarHBondContact OG-CB 3.37Å; S299-S347 PolarHBondContact OG-OG 2.98Å
300V95.3Very high95Very high0 Ų042.1 Ų42.10%022%0.22CC..EExtended strand (participates in β ladder)trans-96.8128.9170.9173.80000107.9S217 D218 F221 I265 I342 F343S217-V300 CarbonylContact C-O 3.59Å; S217-V300 WeakPolarHBondContact CA-O 3.04Å; D218-V300 PolarHBondContact N-O 3.01Å; D218-V300 PolarHBondContact O-N 3.04Å; F221-V300 HydrophobicContact CD1-CG2 3.83Å; F221-V300 HydrophobicContact CD2-CB 4.24Å; F221-V300 HydrophobicContact CD2-CG2 3.8Å; F221-V300 HydrophobicContact CE1-CG2 3.84Å; F221-V300 HydrophobicContact CE2-CB 3.95Å; F221-V300 HydrophobicContact CE2-CG2 3.85Å; F221-V300 HydrophobicContact CG-CG2 3.79Å; F221-V300 HydrophobicContact CZ-CB 4.11Å; F221-V300 HydrophobicContact CZ-CG2 3.86Å; I265-V300 HydrophobicContact CG2-CG2 4.4Å; V300-I342 HydrophobicContact CG1-CG2 3.36Å; V300-F343 CarbonylContact C-O 3.5Å; V300-F343 WeakPolarHBondContact CA-O 3.42Å
301V95.7Very high94.5Very high1 Ų142 Ų421%0.00621%0.21CC..EExtended strand (participates in β ladder)trans-119.6122.6174.4-173.60000107.9V215 A216 I342 F343 I345 A353 V354 L357V215-V301 HydrophobicContact CG1-CG1 4.22Å; A216-V301 CarbonylContact O-C 3.58Å; A216-V301 WeakPolarHBondContact O-CA 3.41Å; V301-I342 WeakPolarHBondContact O-CA 3.48Å; V301-F343 PolarHBondContact N-O 3.3Å; V301-F343 PolarHBondContact O-N 3.34Å; V301-I345 HydrophobicContact CG2-CD1 3.55Å; V301-I345 HydrophobicContact CG2-CG1 4.03Å; V301-A353 HydrophobicContact CG2-CB 4.14Å; V301-V354 HydrophobicContact CG1-CG2 4.33Å; V301-L357 HydrophobicContact CG1-CD1 3.6Å
302A94.8Very high94.2Very high0 Ų042.1 Ų42.10%022%0.222CC..EExtended strand (participates in β ladder)trans-112.9130.3-179.500000110.7A165 V215 A216 V304 I341 I342A165-A302 HydrophobicContact CB-CB 3.5Å; A165-A302 VanDerWaalsContact CB-CB 3.5Å; V215-A302 WeakPolarHBondContact CA-O 3.3Å; A216-A302 PolarHBondContact N-O 2.86Å; A216-A302 PolarHBondContact O-N 3.02Å; A302-V304 HydrophobicContact CB-CG2 4.11Å; A302-I341 WeakPolarHBondContact CA-O 3.46Å; A302-I342 HydrophobicContact CB-CG1 4.19Å
303L95.3Very high94Very high0 Ų041.7 Ų41.70%023%0.227CC..EExtended strand (participates in β ladder)trans-95.5127161.6-167.873.2000107.5V212 V215 M308 T314 S318 S340 I341 F361V212-L303 HydrophobicContact CB-CD1 4.35Å; V212-L303 HydrophobicContact CG1-CD1 3.35Å; V212-L303 HydrophobicContact CG1-CG 3.81Å; V212-L303 HydrophobicContact CG2-CD1 4.07Å; V212-L303 HydrophobicContact CG2-CD2 3.91Å; V212-L303 HydrophobicContact CG2-CG 3.99Å; V215-L303 HydrophobicContact CG2-CD1 3.57Å; L303-M308 HydrophobicContact CD2-SD 3.72Å; L303-M308 HydrophobicContact CG-SD 3.86Å; L303-T314 HydrophobicContact CD2-CG2 3.65Å; L303-S318 WeakPolarHBondContact CD2-OG 3.47Å; L303-S340 CarbonylContact O-C 3.52Å; L303-S340 VanDerWaalsContact O-CA 3.24Å; L303-S340 WeakPolarHBondContact O-CA 3.35Å; L303-I341 HydrophobicContact CB-CB 4.41Å; L303-I341 HydrophobicContact CD2-CD1 4.38Å; L303-I341 PolarHBondContact N-O 3.43Å; L303-I341 PolarHBondContact O-N 2.96Å; L303-F361 HydrophobicContact CD1-CD2 3.71Å; L303-F361 HydrophobicContact CD1-CE2 3.92Å; L303-F361 HydrophobicContact CD1-CG 4.49Å; L303-F361 HydrophobicContact CD2-CD2 4.04Å; L303-F361 HydrophobicContact CD2-CE1 4.43Å; L303-F361 HydrophobicContact CD2-CE2 3.47Å; L303-F361 VanDerWaalsContact CD2-CE2 3.47Å; L303-F361 HydrophobicContact CD2-CZ 3.7Å; L303-F361 HydrophobicContact CG-CE2 4.37Å
304V94.5Very high93.8Very high0 Ų039.9 Ų39.90%021%0.214CC..EExtended strand (participates in β ladder)trans-129.8135.1-172.6-178.80000110.5E158 E161 L162 V213 G214 A302 R339E158-V304 HydrophobicContact CB-CG1 3.9Å; E158-V304 HydrophobicContact CG-CG1 4.08Å; E161-V304 HydrophobicContact CB-CB 4.45Å; E161-V304 HydrophobicContact CB-CG1 3.79Å; E161-V304 HydrophobicContact CB-CG2 3.72Å; E161-V304 HydrophobicContact CG-CG1 4.47Å; L162-V304 HydrophobicContact CD2-CB 3.88Å; L162-V304 HydrophobicContact CD2-CG2 3.86Å; L162-V304 HydrophobicContact CG-CB 4.05Å; L162-V304 HydrophobicContact CG-CG1 4.21Å; L162-V304 HydrophobicContact CG-CG2 4.15Å; V213-V304 PolarHBondContact N-O 3.1Å; G214-V304 PolarHBondContact N-O 3.29Å; G214-V304 PolarHBondContact O-N 3.12Å; A302-V304 HydrophobicContact CB-CG2 4.11Å; V304-R339 WeakPolarHBondContact CA-O 3.43Å
305G94Very high93.6Very high0 Ų040 Ų400%022%0.216CC..  trans172.2132.6173.500000112.4E211 G307 M308 R339E211-G305 WeakPolarHBondContact O-CA 3.35Å; G305-G307 PolarHBondContact O-N 2.87Å; G305-M308 WeakPolarHBondContact O-CB 3.36Å; G305-M308 WeakPolarHBondContact O-CE 3.37Å; G305-M308 WeakPolarHBondContact O-CG 3.34Å; G305-M308 PolarHBondContact O-N 3.39Å; G305-R339 PolarHBondContact N-O 3.46Å
306E91.2Very high93.5Very high43 Ų4340.8 Ų40.820%0.20123%0.228CC..G310 helixtrans-64.9-25.7175.7-81178.1179.600113.3T155 E158 R209 M308 R309 R339T155-E306 WeakPolarHBondContact CB-OE1 3.45Å; T155-E306 VanDerWaalsContact CG2-CD 3.44Å; T155-E306 VanDerWaalsContact CG2-OE1 3.32Å; T155-E306 WeakPolarHBondContact CG2-OE1 3.39Å; T155-E306 WeakPolarHBondContact CG2-OE2 3.44Å; T155-E306 PolarHBondContact OG1-OE1 2.67Å; E158-E306 HydrophobicContact CG-CG 4.13Å; E158-E306 VanDerWaalsContact OE1-CB 3.28Å; E158-E306 WeakPolarHBondContact OE1-CB 3.45Å; E158-E306 WeakPolarHBondContact OE1-CG 3.23Å; E158-E306 PolarHBondContact OE1-N 2.99Å; R209-E306 IonicContact NH1-OE2 3.07Å; R209-E306 PolarHBondContact NH1-OE2 3.05Å; E306-M308 PolarHBondContact O-N 2.97Å; E306-R309 WeakPolarHBondContact O-CB 3.39Å; E306-R309 PolarHBondContact O-N 2.87Å; E306-R339 HydrophobicContact CG-CG 4.17Å
307G90Very high93.5Very high37 Ų3741.5 Ų41.538%0.38123%0.234SC..G310 helixtrans-70.7-7176.900000114.4E211 G305 R309E211-G307 CarbonylContact O-C 3.52Å; E211-G307 WeakPolarHBondContact O-CA 3.35Å; E211-G307 PolarHBondContact O-N 3.3Å; G305-G307 PolarHBondContact O-N 2.87Å; G307-R309 VanDerWaalsContact C-N 3.32Å
308M92.3Very high93.4Very high4 Ų440.1 Ų40.12%0.0222%0.22CC..G310 helixtrans-78-16.3174-57.7-170.5-53.200113.3E211 V212 L303 G305 E306 R311 T314 E338 R339 I341E211-M308 PolarHBondContact O-N 2.88Å; V212-M308 HydrophobicContact CG2-CG 4.1Å; V212-M308 HydrophobicContact CG2-SD 3.89Å; L303-M308 HydrophobicContact CD2-SD 3.72Å; L303-M308 HydrophobicContact CG-SD 3.86Å; G305-M308 WeakPolarHBondContact O-CB 3.36Å; G305-M308 WeakPolarHBondContact O-CE 3.37Å; G305-M308 WeakPolarHBondContact O-CG 3.34Å; G305-M308 PolarHBondContact O-N 3.39Å; E306-M308 PolarHBondContact O-N 2.97Å; M308-R311 WeakPolarHBondContact O-CB 3.32Å; M308-R311 PolarHBondContact O-N 2.85Å; M308-T314 HydrophobicContact CB-CG2 4.4Å; M308-T314 HydrophobicContact CG-CG2 3.89Å; M308-T314 HydrophobicContact SD-CG2 3.58Å; M308-T314 VanDerWaalsContact SD-CG2 3.58Å; M308-E338 WeakPolarHBondContact CB-O 3.39Å; M308-R339 WeakPolarHBondContact CE-O 3.47Å; M308-I341 HydrophobicContact SD-CD1 4.4Å
309R89.7Confident93.4Very high129 Ų12942 Ų4249%0.48723%0.232SC..THydrogen-bonded Turntrans-63.7138.2-179-179.7179.2176.6162.711.8111.5E306 G307 R311E306-R309 WeakPolarHBondContact O-CB 3.39Å; E306-R309 PolarHBondContact O-N 2.87Å; G307-R309 VanDerWaalsContact C-N 3.32Å; R309-R311 PolarHBondContact O-N 2.83Å; R309-R311 VanDerWaalsContact O-N 3.07Å
310E86.1Confident93.5Very high145 Ų14543.8 Ų43.868%0.67825%0.247SC*.THydrogen-bonded Turntrans55.623.6178.1-69.6165.7-145.700112.8P312 E338E310-P312 WeakPolarHBondContact O-CD 3.01Å; E310-E338 WeakPolarHBondContact CA-OE2 3.44Å; E310-E338 PolarHBondContact N-OE2 3.38Å
311R87.8Confident93.6Very high118 Ų11844.2 Ų44.245%0.44525%0.25SS..  trans-115.597.2-178.6-166.6-170-177.1112.2-12.7111.4E211 M308 R309 G313E211-R311 IonicContact OE1-CZ 3.68Å; E211-R311 IonicContact OE1-NH1 3.98Å; E211-R311 PolarHBondContact OE1-NH1 3.13Å; E211-R311 IonicContact OE1-NH2 3.04Å; E211-R311 PolarHBondContact OE1-NH2 2.62Å; E211-R311 IonicContact OE2-CZ 3.24Å; E211-R311 IonicContact OE2-NE 2.68Å; E211-R311 PolarHBondContact OE2-NE 2.75Å; E211-R311 IonicContact OE2-NH1 3.1Å; E211-R311 PolarHBondContact OE2-NH1 2.8Å; E211-R311 VanDerWaalsContact OE2-NH1 3.16Å; E211-R311 IonicContact OE2-NH2 3.17Å; E211-R311 PolarHBondContact OE2-NH2 3.16Å; M308-R311 WeakPolarHBondContact O-CB 3.32Å; M308-R311 PolarHBondContact O-N 2.85Å; R309-R311 PolarHBondContact O-N 2.83Å; R309-R311 VanDerWaalsContact O-N 3.07Å; R311-G313 PolarHBondContact O-N 3.22Å
312P90.6Very high93.7Very high125 Ų12544.2 Ų44.281%0.81225%0.25SS*.THydrogen-bonded Turntrans-59.7136.9168.6-21.433000110.8E310E310-P312 WeakPolarHBondContact O-CD 3.01Å
313G92.9Very high93.9Very high30 Ų3047.1 Ų47.131%0.30927%0.274SS..THydrogen-bonded Turntrans123.3-36.7175.100000113.6R311 T315 S316 D317R311-G313 PolarHBondContact O-N 3.22Å; G313-T315 PolarHBondContact O-N 3.43Å; G313-S316 CarbonylContact O-C 3.53Å; G313-S316 WeakPolarHBondContact O-CA 3.41Å; G313-S316 VanDerWaalsContact O-CB 3.25Å; G313-S316 WeakPolarHBondContact O-CB 3.28Å; G313-S316 PolarHBondContact O-N 3.29Å; G313-D317 PolarHBondContact O-N 3.45Å
314T93.9Very high94Very high8 Ų857.1 Ų57.15%0.04931%0.312CS..Hα-helixtrans-57.3-46.9-173.3-46.70000113.3V212 L303 M308 S316 D317 S318 I341 F361V212-T314 HydrophobicContact CG2-CG2 4.5Å; L303-T314 HydrophobicContact CD2-CG2 3.65Å; M308-T314 HydrophobicContact CB-CG2 4.4Å; M308-T314 HydrophobicContact CG-CG2 3.89Å; M308-T314 HydrophobicContact SD-CG2 3.58Å; M308-T314 VanDerWaalsContact SD-CG2 3.58Å; T314-S316 VanDerWaalsContact C-N 3.32Å; T314-S316 PolarHBondContact O-N 3.02Å; T314-D317 PolarHBondContact O-N 2.86Å; T314-S318 VanDerWaalsContact O-CB 3.31Å; T314-S318 WeakPolarHBondContact O-CB 3.17Å; T314-S318 PolarHBondContact O-N 3.48Å; T314-S318 PolarHBondContact O-OG 2.82Å; T314-I341 HydrophobicContact CG2-CD1 3.86Å; T314-F361 HydrophobicContact CG2-CE1 3.97Å; T314-F361 HydrophobicContact CG2-CZ 3.94Å
315T94Very high94.1Very high45 Ų4562.9 Ų62.928%0.27634%0.337SS..Hα-helixtrans-65.8-35.7175.3-49.80000111.9G313 T319 I341G313-T315 PolarHBondContact O-N 3.43Å; T315-T319 HydrophobicContact CG2-CG2 4.3Å; T315-T319 WeakPolarHBondContact O-CB 3.31Å; T315-T319 VanDerWaalsContact O-CG2 3.28Å; T315-T319 WeakPolarHBondContact O-CG2 3.42Å; T315-T319 PolarHBondContact O-N 3.47Å; T315-T319 PolarHBondContact O-OG1 3.43Å; T315-I341 VanDerWaalsContact OG1-CD1 3.27Å; T315-I341 WeakPolarHBondContact OG1-CD1 3.25Å
316S96.1Very high94.3Very high73 Ų7369.6 Ų69.651%0.5137%0.373SS..Hα-helixtrans-64.2-49.6176.6174.60000110.9G313 T314 S318 T319 A320G313-S316 CarbonylContact O-C 3.53Å; G313-S316 WeakPolarHBondContact O-CA 3.41Å; G313-S316 VanDerWaalsContact O-CB 3.25Å; G313-S316 WeakPolarHBondContact O-CB 3.28Å; G313-S316 PolarHBondContact O-N 3.29Å; T314-S316 VanDerWaalsContact C-N 3.32Å; T314-S316 PolarHBondContact O-N 3.02Å; S316-S318 VanDerWaalsContact C-N 3.35Å; S316-S318 PolarHBondContact O-N 2.96Å; S316-T319 PolarHBondContact O-N 2.89Å; S316-T319 PolarHBondContact O-OG1 3.48Å; S316-A320 WeakPolarHBondContact O-CB 3.49Å; S316-A320 PolarHBondContact O-N 3.15Å
317D96.6Very high94.6Very high82 Ų8268 Ų6844%0.43937%0.366SS..Hα-helixtrans-64.5-41.8-179.9-62.9-28000111.1G313 T314 A320 A321 T360 F361G313-D317 PolarHBondContact O-N 3.45Å; T314-D317 PolarHBondContact O-N 2.86Å; D317-A320 PolarHBondContact O-N 3.41Å; D317-A321 VanDerWaalsContact O-CB 3.3Å; D317-A321 WeakPolarHBondContact O-CB 3.23Å; D317-A321 PolarHBondContact O-N 3.47Å; D317-T360 HydrophobicContact CB-CG2 4.21Å; D317-F361 HydrophobicContact CB-CE1 4.36Å; D317-F361 HydrophobicContact CB-CZ 4.06Å
318S96.7Very high94.9Very high0 Ų070.4 Ų70.40%037%0.37CS..Hα-helixtrans-58.3-53.9174.9-59.10000112.1L303 T314 S316 A320 A321 L322 F361L303-S318 WeakPolarHBondContact CD2-OG 3.47Å; T314-S318 VanDerWaalsContact O-CB 3.31Å; T314-S318 WeakPolarHBondContact O-CB 3.17Å; T314-S318 PolarHBondContact O-N 3.48Å; T314-S318 PolarHBondContact O-OG 2.82Å; S316-S318 VanDerWaalsContact C-N 3.35Å; S316-S318 PolarHBondContact O-N 2.96Å; S318-A320 PolarHBondContact O-N 2.7Å; S318-A321 PolarHBondContact O-N 3.31Å; S318-L322 VanDerWaalsContact O-CG 3.29Å; S318-L322 WeakPolarHBondContact O-CG 3.29Å; S318-L322 PolarHBondContact O-N 3.24Å; S318-F361 WeakPolarHBondContact OG-CE2 3.49Å; S318-F361 WeakPolarHBondContact OG-CZ 3.17Å
319T97.7Very high95.2Very high41 Ų4172.3 Ų72.325%0.25238%0.38SS..Hα-helixtrans-69.2-34.2-177.554.70000111.9T315 S316 L322 A323 L329 I332 F343T315-T319 HydrophobicContact CG2-CG2 4.3Å; T315-T319 WeakPolarHBondContact O-CB 3.31Å; T315-T319 VanDerWaalsContact O-CG2 3.28Å; T315-T319 WeakPolarHBondContact O-CG2 3.42Å; T315-T319 PolarHBondContact O-N 3.47Å; T315-T319 PolarHBondContact O-OG1 3.43Å; S316-T319 PolarHBondContact O-N 2.89Å; S316-T319 PolarHBondContact O-OG1 3.48Å; T319-L322 PolarHBondContact O-N 2.88Å; T319-A323 VanDerWaalsContact O-CB 3.23Å; T319-A323 WeakPolarHBondContact O-CB 3.28Å; T319-A323 PolarHBondContact O-N 2.96Å; T319-L329 HydrophobicContact CG2-CD1 3.86Å; T319-I332 HydrophobicContact CG2-CD1 4.34Å; T319-F343 HydrophobicContact CG2-CE1 3.87Å; T319-F343 HydrophobicContact CG2-CZ 4.23Å
320A98Very high95.4Very high39 Ų3971 Ų7132%0.32238%0.375SS..Hα-helixtrans-63.8-43.1172.300000111.9S316 D317 S318 A323 R324S316-A320 WeakPolarHBondContact O-CB 3.49Å; S316-A320 PolarHBondContact O-N 3.15Å; D317-A320 PolarHBondContact O-N 3.41Å; S318-A320 PolarHBondContact O-N 2.7Å; A320-A323 PolarHBondContact O-N 3.26Å; A320-R324 VanDerWaalsContact O-CG 3.28Å; A320-R324 WeakPolarHBondContact O-CG 3.4Å; A320-R324 PolarHBondContact O-N 2.79Å
321A97.6Very high95.9Very high8 Ų864.8 Ų64.87%0.06635%0.346CS..Hα-helixtrans-61.7-45.9176.700000111.8D317 S318 R324 T360D317-A321 VanDerWaalsContact O-CB 3.3Å; D317-A321 WeakPolarHBondContact O-CB 3.23Å; D317-A321 PolarHBondContact O-N 3.47Å; S318-A321 PolarHBondContact O-N 3.31Å; A321-R324 PolarHBondContact O-N 3.39Å; A321-T360 HydrophobicContact CB-CG2 4.25Å; A321-T360 WeakPolarHBondContact CB-OG1 3.38Å
322L98.3Very high96.2Very high1 Ų163.2 Ų63.21%0.00535%0.346CS..Hα-helixtrans-64.4-43.4177-66.5175000111.8S318 T319 R324 K325 N326 V327 L329 F343 A353 L357S318-L322 VanDerWaalsContact O-CG 3.29Å; S318-L322 WeakPolarHBondContact O-CG 3.29Å; S318-L322 PolarHBondContact O-N 3.24Å; T319-L322 PolarHBondContact O-N 2.88Å; L322-R324 PolarHBondContact O-N 3.05Å; L322-K325 CarbonylContact O-C 3.56Å; L322-K325 PolarHBondContact O-N 2.98Å; L322-K325 VanDerWaalsContact O-N 3.11Å; L322-N326 PolarHBondContact O-N 3.13Å; L322-V327 HydrophobicContact CB-CB 4.12Å; L322-V327 HydrophobicContact CD2-CB 4.27Å; L322-V327 HydrophobicContact CD2-CG1 4.24Å; L322-V327 HydrophobicContact CD2-CG2 4.35Å; L322-V327 WeakPolarHBondContact O-CB 3.27Å; L322-V327 PolarHBondContact O-N 3.2Å; L322-L329 HydrophobicContact CB-CD2 4.37Å; L322-L329 HydrophobicContact CD1-CD2 3.65Å; L322-F343 HydrophobicContact CD1-CD1 4.36Å; L322-F343 HydrophobicContact CD1-CD2 3.94Å; L322-F343 HydrophobicContact CD1-CE1 4.48Å; L322-F343 HydrophobicContact CD1-CE2 4.06Å; L322-F343 HydrophobicContact CD1-CG 4.08Å; L322-F343 HydrophobicContact CD1-CZ 4.33Å; L322-A353 HydrophobicContact CD2-CB 3.6Å; L322-L357 HydrophobicContact CD1-CD2 4.21Å; L322-L357 HydrophobicContact CD2-CD1 4.47Å; L322-L357 HydrophobicContact CD2-CD2 4.37Å; L322-L357 HydrophobicContact CD2-CG 4.09Å; L322-L357 HydrophobicContact CG-CD2 4.08Å; L322-L357 HydrophobicContact CG-CG 4.35Å
323A98.1Very high96.3Very high61 Ų6159 Ų5950%0.50432%0.319SS..Hα-helixtrans-62.5-39.3177.700000112.6T319 A320 K325 N326T319-A323 VanDerWaalsContact O-CB 3.23Å; T319-A323 WeakPolarHBondContact O-CB 3.28Å; T319-A323 PolarHBondContact O-N 2.96Å; A320-A323 PolarHBondContact O-N 3.26Å; A323-K325 PolarHBondContact O-N 2.84Å; A323-K325 VanDerWaalsContact O-N 3.11Å; A323-N326 PolarHBondContact O-N 3.02Å
324R97.8Very high96.1Very high211 Ų21161.7 Ų61.780%0.79632%0.324SS*.Hα-helixtrans-60-21.9175.6-74173.8-165.6-121.88113.3A320 A321 L322A320-R324 VanDerWaalsContact O-CG 3.28Å; A320-R324 WeakPolarHBondContact O-CG 3.4Å; A320-R324 PolarHBondContact O-N 2.79Å; A321-R324 PolarHBondContact O-N 3.39Å; L322-R324 PolarHBondContact O-N 3.05Å
325K97Very high95.4Very high121 Ų12163.4 Ų63.453%0.52634%0.343SS..THydrogen-bonded Turntrans-102.611.2174.7-62-50.1-174.6178.90113.7L322 A323 V327 S356L322-K325 CarbonylContact O-C 3.56Å; L322-K325 PolarHBondContact O-N 2.98Å; L322-K325 VanDerWaalsContact O-N 3.11Å; A323-K325 PolarHBondContact O-N 2.84Å; A323-K325 VanDerWaalsContact O-N 3.11Å; K325-V327 HydrophobicContact CB-CG2 4.1Å; K325-V327 PolarHBondContact O-N 2.8Å; K325-S356 WeakPolarHBondContact CG-OG 3.24Å
326N97.2Very high94.6Very high140 Ų14066.3 Ų66.375%0.74937%0.372SS*.THydrogen-bonded Turntrans55.333.9-176.1-58.9-58000113L322 A323 N328 Q349L322-N326 PolarHBondContact O-N 3.13Å; A323-N326 PolarHBondContact O-N 3.02Å; N326-N328 PolarHBondContact O-N 2.81Å; N326-Q349 PolarHBondContact O-NE2 2.78Å
327V98.1Very high93.7Very high9 Ų967.1 Ų67.16%0.05537%0.37CS..PPolyproline II helixtrans-79117.9172.8179.70000108.3L322 K325 L329 I345 Q349 L352 A353L322-V327 HydrophobicContact CB-CB 4.12Å; L322-V327 HydrophobicContact CD2-CB 4.27Å; L322-V327 HydrophobicContact CD2-CG1 4.24Å; L322-V327 HydrophobicContact CD2-CG2 4.35Å; L322-V327 WeakPolarHBondContact O-CB 3.27Å; L322-V327 PolarHBondContact O-N 3.2Å; K325-V327 HydrophobicContact CB-CG2 4.1Å; K325-V327 PolarHBondContact O-N 2.8Å; V327-L329 HydrophobicContact CG1-CD2 4.46Å; V327-I345 HydrophobicContact CG1-CB 4.19Å; V327-I345 HydrophobicContact CG1-CD1 4.16Å; V327-I345 HydrophobicContact CG1-CG2 3.7Å; V327-Q349 HydrophobicContact CG1-CB 4.2Å; V327-Q349 HydrophobicContact CG2-CB 4.39Å; V327-L352 HydrophobicContact CG2-CB 4.42Å; V327-A353 HydrophobicContact CG1-CB 4.26Å; V327-A353 HydrophobicContact CG2-CB 4.49Å
328N96.8Very high93.2Very high88 Ų8866.8 Ų66.847%0.47137%0.366SS..PPolyproline II helixtrans-88.3125.4-179.8-17554.7000110.4N326N326-N328 PolarHBondContact O-N 2.81Å
329L97.5Very high92.6Very high45 Ų4568.2 Ų68.224%0.23637%0.371CS..EExtended strand (participates in β ladder)trans-85.4120.8-179.5-49.2-178.9000109.5T319 L322 V327 I332 F343 I345T319-L329 HydrophobicContact CG2-CD1 3.86Å; L322-L329 HydrophobicContact CB-CD2 4.37Å; L322-L329 HydrophobicContact CD1-CD2 3.65Å; V327-L329 HydrophobicContact CG1-CD2 4.46Å; L329-I332 HydrophobicContact CB-CG1 4.34Å; L329-I332 HydrophobicContact CD1-CD1 3.74Å; L329-I332 HydrophobicContact CD1-CG1 3.98Å; L329-F343 HydrophobicContact CD1-CD1 4.03Å; L329-F343 HydrophobicContact CD1-CE1 4.2Å; L329-F343 HydrophobicContact CD2-CB 4.36Å; L329-F343 HydrophobicContact CD2-CD1 4.16Å; L329-F343 HydrophobicContact CD2-CG 4.42Å; L329-I345 HydrophobicContact CD2-CG2 3.83Å
330R95.6Very high92.3Very high102 Ų10267 Ų6739%0.38537%0.365SS..EExtended strand (participates in β ladder)trans-84.7-32.9172.3-63.2-53.5-157173.413.9112E295 L298 A344E295-R330 VanDerWaalsContact CD-NH2 3.27Å; E295-R330 IonicContact OE1-CZ 3.4Å; E295-R330 VanDerWaalsContact OE1-CZ 3.24Å; E295-R330 IonicContact OE1-NE 3.71Å; E295-R330 PolarHBondContact OE1-NE 2.84Å; E295-R330 IonicContact OE1-NH2 2.98Å; E295-R330 PolarHBondContact OE1-NH2 2.76Å; E295-R330 IonicContact OE2-CZ 3.78Å; E295-R330 IonicContact OE2-NE 3.02Å; E295-R330 PolarHBondContact OE2-NE 2.81Å; E295-R330 IonicContact OE2-NH2 3.26Å; E295-R330 PolarHBondContact OE2-NH2 3.04Å; E295-R330 VanDerWaalsContact OE2-NH2 3.1Å; L298-R330 HydrophobicContact CD2-CG 3.96Å; R330-A344 WeakPolarHBondContact CA-O 3.44Å; R330-A344 HydrophobicContact CB-CB 4.26Å; R330-A344 WeakPolarHBondContact CB-O 3.45Å; R330-A344 PolarHBondContact N-O 3.45Å
331M95.1Very high92.2Very high13 Ų1365.1 Ų65.16%0.06435%0.349CS..EExtended strand (participates in β ladder)trans-145.5147.7176.4-179.4-17775.800109.4H254 P256 I265 I342 F343 A344H254-M331 HydrophobicContact CB-CE 3.77Å; H254-M331 HydrophobicContact CB-SD 3.69Å; P256-M331 HydrophobicContact CG-CG 3.96Å; P256-M331 HydrophobicContact CG-SD 3.81Å; I265-M331 HydrophobicContact CD1-SD 4.41Å; I265-M331 HydrophobicContact CG1-CE 4.08Å; I265-M331 HydrophobicContact CG1-SD 3.55Å; I265-M331 VanDerWaalsContact CG1-SD 3.55Å; M331-I342 HydrophobicContact CE-CG2 4.19Å; M331-F343 WeakPolarHBondContact O-CA 3.36Å; M331-A344 HydrophobicContact CB-CB 3.6Å; M331-A344 HydrophobicContact CE-CB 4.18Å; M331-A344 PolarHBondContact N-O 2.93Å; M331-A344 PolarHBondContact O-N 2.89Å
332I94.9Very high92Very high86 Ų8665.1 Ų65.144%0.44135%0.348SS..EExtended strand (participates in β ladder)trans-124.5129.2162.4-50.7178.7000106.5T319 L329 I342 F343T319-I332 HydrophobicContact CG2-CD1 4.34Å; L329-I332 HydrophobicContact CB-CG1 4.34Å; L329-I332 HydrophobicContact CD1-CD1 3.74Å; L329-I332 HydrophobicContact CD1-CG1 3.98Å; I332-I342 CarbonylContact C-O 3.47Å; I332-I342 WeakPolarHBondContact CA-O 3.44Å; I332-F343 HydrophobicContact CB-CD1 4.45Å; I332-F343 HydrophobicContact CG1-CD1 4.05Å; I332-F343 HydrophobicContact CG1-CE1 4.23Å; I332-F343 HydrophobicContact CG2-CD1 4.17Å; I332-F343 HydrophobicContact CG2-CE1 3.88Å
333S91.9Very high91.9Very high36 Ų3665.1 Ų65.125%0.25235%0.348SS..EExtended strand (participates in β ladder)trans-134.7128.2175.7-169.30000109.6I342S333-I342 PolarHBondContact N-O 2.84Å; S333-I342 PolarHBondContact O-N 3.24Å
334Q89.6Confident91.9Very high87 Ų8762.2 Ų62.241%0.40732%0.324SS..EExtended strand (participates in β ladder)trans-135.4119.2172.1-176.7176.72900106.8I341Q334-I341 HydrophobicContact CG-CG1 4.22Å
335G79.1Confident91.9Very high44 Ų4452.2 Ų52.245%0.45429%0.286SS..  trans-68.5161.7174.800000111.4D337 E338G335-D337 PolarHBondContact O-N 3.45Å; G335-E338 PolarHBondContact O-N 3.12Å
336A75.9Confident92Very high106 Ų10651.3 Ų51.388%0.87628%0.28SS*.THydrogen-bonded Turntrans-61.2-12.3177.600000114.2
337D79Confident92Very high90 Ų9046.4 Ų46.448%0.48126%0.256SS..THydrogen-bonded Turntrans-80-15.3175.4-89-48.4000113.7G335 R339G335-D337 PolarHBondContact O-N 3.45Å; D337-R339 VanDerWaalsContact CB-NH1 3.27Å; D337-R339 WeakPolarHBondContact O-CG 3.38Å; D337-R339 PolarHBondContact O-N 3.05Å; D337-R339 IonicContact OD1-CZ 3.68Å; D337-R339 IonicContact OD1-NH1 2.8Å; D337-R339 PolarHBondContact OD1-NH1 3.22Å; D337-R339 IonicContact OD1-NH2 2.75Å; D337-R339 PolarHBondContact OD1-NH2 3.41Å; D337-R339 IonicContact OD2-NH1 2.95Å; D337-R339 PolarHBondContact OD2-NH1 2.85Å; D337-R339 VanDerWaalsContact OD2-NH1 3.13Å
338E85Confident92Very high74 Ų7452 Ų5235%0.34628%0.282SS..  trans60.112.4175.3-58.4174.5-175.900115.7M308 E310 G335M308-E338 WeakPolarHBondContact CB-O 3.39Å; E310-E338 WeakPolarHBondContact CA-OE2 3.44Å; E310-E338 PolarHBondContact N-OE2 3.38Å; G335-E338 PolarHBondContact O-N 3.12Å
339R84.9Confident92Very high30 Ų3049.7 Ų49.711%0.11327%0.268CS..SBendtrans-92.6-13.6-177.7-59.3174.7-165.1101.327.8114.9R157 V304 G305 E306 M308 D337R157-R339 VanDerWaalsContact NH1-NH1 3.18Å; V304-R339 WeakPolarHBondContact CA-O 3.43Å; G305-R339 PolarHBondContact N-O 3.46Å; E306-R339 HydrophobicContact CG-CG 4.17Å; M308-R339 WeakPolarHBondContact CE-O 3.47Å; D337-R339 VanDerWaalsContact CB-NH1 3.27Å; D337-R339 WeakPolarHBondContact O-CG 3.38Å; D337-R339 PolarHBondContact O-N 3.05Å; D337-R339 IonicContact OD1-CZ 3.68Å; D337-R339 IonicContact OD1-NH1 2.8Å; D337-R339 PolarHBondContact OD1-NH1 3.22Å; D337-R339 IonicContact OD1-NH2 2.75Å; D337-R339 PolarHBondContact OD1-NH2 3.41Å; D337-R339 IonicContact OD2-NH1 2.95Å; D337-R339 PolarHBondContact OD2-NH1 2.85Å; D337-R339 VanDerWaalsContact OD2-NH1 3.13Å
340S91.2Very high91.9Very high16 Ų1648.9 Ų48.911%0.11226%0.263CS..EExtended strand (participates in β ladder)trans-137.3137.7173.659.30000110.2E161 L303E161-S340 WeakPolarHBondContact OE2-CB 3.19Å; E161-S340 PolarHBondContact OE2-OG 3.46Å; L303-S340 CarbonylContact O-C 3.52Å; L303-S340 VanDerWaalsContact O-CA 3.24Å; L303-S340 WeakPolarHBondContact O-CA 3.35Å
341I94.6Very high92Very high0 Ų050.5 Ų50.50%027%0.269CS..EExtended strand (participates in β ladder)trans-118.1121.4169.9-56.7165000106.3A302 L303 M308 T314 T315 Q334 F343A302-I341 WeakPolarHBondContact CA-O 3.46Å; L303-I341 HydrophobicContact CB-CB 4.41Å; L303-I341 HydrophobicContact CD2-CD1 4.38Å; L303-I341 PolarHBondContact N-O 3.43Å; L303-I341 PolarHBondContact O-N 2.96Å; M308-I341 HydrophobicContact SD-CD1 4.4Å; T314-I341 HydrophobicContact CG2-CD1 3.86Å; T315-I341 VanDerWaalsContact OG1-CD1 3.27Å; T315-I341 WeakPolarHBondContact OG1-CD1 3.25Å; Q334-I341 HydrophobicContact CG-CG1 4.22Å; I341-F343 HydrophobicContact CB-CE2 4.47Å; I341-F343 HydrophobicContact CB-CZ 4.46Å; I341-F343 HydrophobicContact CG2-CE1 3.86Å; I341-F343 HydrophobicContact CG2-CE2 3.73Å; I341-F343 HydrophobicContact CG2-CZ 3.34Å
342I94.6Very high92.1Very high8 Ų853.9 Ų53.94%0.04129%0.287CS..EExtended strand (participates in β ladder)trans-114.6129.7-173.3-59.8177.3000109.2H254 V300 V301 A302 M331 I332 S333H254-I342 WeakPolarHBondContact CE1-CD1 3.35Å; V300-I342 HydrophobicContact CG1-CG2 3.36Å; V301-I342 WeakPolarHBondContact O-CA 3.48Å; A302-I342 HydrophobicContact CB-CG1 4.19Å; M331-I342 HydrophobicContact CE-CG2 4.19Å; I332-I342 CarbonylContact C-O 3.47Å; I332-I342 WeakPolarHBondContact CA-O 3.44Å; S333-I342 PolarHBondContact N-O 2.84Å; S333-I342 PolarHBondContact O-N 3.24Å
343F96.6Very high92.2Very high0 Ų049.8 Ų49.80%027%0.266CS..EExtended strand (participates in β ladder)trans-116.2130175.7-55.3-72.6000109.5V300 V301 T319 L322 L329 M331 I332 I341 I345 L357V300-F343 CarbonylContact C-O 3.5Å; V300-F343 WeakPolarHBondContact CA-O 3.42Å; V301-F343 PolarHBondContact N-O 3.3Å; V301-F343 PolarHBondContact O-N 3.34Å; T319-F343 HydrophobicContact CG2-CE1 3.87Å; T319-F343 HydrophobicContact CG2-CZ 4.23Å; L322-F343 HydrophobicContact CD1-CD1 4.36Å; L322-F343 HydrophobicContact CD1-CD2 3.94Å; L322-F343 HydrophobicContact CD1-CE1 4.48Å; L322-F343 HydrophobicContact CD1-CE2 4.06Å; L322-F343 HydrophobicContact CD1-CG 4.08Å; L322-F343 HydrophobicContact CD1-CZ 4.33Å; L329-F343 HydrophobicContact CD1-CD1 4.03Å; L329-F343 HydrophobicContact CD1-CE1 4.2Å; L329-F343 HydrophobicContact CD2-CB 4.36Å; L329-F343 HydrophobicContact CD2-CD1 4.16Å; L329-F343 HydrophobicContact CD2-CG 4.42Å; M331-F343 WeakPolarHBondContact O-CA 3.36Å; I332-F343 HydrophobicContact CB-CD1 4.45Å; I332-F343 HydrophobicContact CG1-CD1 4.05Å; I332-F343 HydrophobicContact CG1-CE1 4.23Å; I332-F343 HydrophobicContact CG2-CD1 4.17Å; I332-F343 HydrophobicContact CG2-CE1 3.88Å; I341-F343 HydrophobicContact CB-CE2 4.47Å; I341-F343 HydrophobicContact CB-CZ 4.46Å; I341-F343 HydrophobicContact CG2-CE1 3.86Å; I341-F343 HydrophobicContact CG2-CE2 3.73Å; I341-F343 HydrophobicContact CG2-CZ 3.34Å; F343-I345 HydrophobicContact CB-CG2 4.41Å; F343-L357 HydrophobicContact CD2-CD1 4.34Å; F343-L357 HydrophobicContact CE2-CD1 4.37Å; F343-L357 HydrophobicContact CE2-CD2 4.49Å
344A97.1Very high92.4Very high0 Ų048.1 Ų48.10%026%0.255CS..EExtended strand (participates in β ladder)trans-92.8131.5160.700000108.7S299 R330 M331S299-A344 WeakPolarHBondContact O-CA 3.34Å; R330-A344 WeakPolarHBondContact CA-O 3.44Å; R330-A344 HydrophobicContact CB-CB 4.26Å; R330-A344 WeakPolarHBondContact CB-O 3.45Å; R330-A344 PolarHBondContact N-O 3.45Å; M331-A344 HydrophobicContact CB-CB 3.6Å; M331-A344 HydrophobicContact CE-CB 4.18Å; M331-A344 PolarHBondContact N-O 2.93Å; M331-A344 PolarHBondContact O-N 2.89Å
345I98.1Very high92.8Very high1 Ų148.6 Ų48.61%0.00525%0.253CS..EExtended strand (participates in β ladder)trans-136.3167.5178.961.2174.5000108.8L298 S299 V301 V327 L329 F343 Q349 A353L298-I345 CarbonylContact C-O 3.45Å; L298-I345 VanDerWaalsContact CA-O 3.3Å; L298-I345 WeakPolarHBondContact CA-O 3.49Å; S299-I345 PolarHBondContact N-O 3.18Å; S299-I345 PolarHBondContact O-N 3.31Å; V301-I345 HydrophobicContact CG2-CD1 3.55Å; V301-I345 HydrophobicContact CG2-CG1 4.03Å; V327-I345 HydrophobicContact CG1-CB 4.19Å; V327-I345 HydrophobicContact CG1-CD1 4.16Å; V327-I345 HydrophobicContact CG1-CG2 3.7Å; L329-I345 HydrophobicContact CD2-CG2 3.83Å; F343-I345 HydrophobicContact CB-CG2 4.41Å; I345-Q349 HydrophobicContact CD1-CB 4.35Å; I345-A353 HydrophobicContact CD1-CB 3.3Å
346R98.2Very high93.7Very high103 Ų10347 Ų4739%0.38924%0.235SC..EExtended strand (participates in β ladder)trans-70.7139.5170.2-61-172.7174.3164.6-1.1110.7E295 L298 E348 Q349E295-R346 IonicContact OE1-NE 2.96Å; E295-R346 PolarHBondContact OE1-NE 2.92Å; L298-R346 HydrophobicContact CD2-CG 4.49Å; R346-E348 VanDerWaalsContact CB-CD 3.42Å; R346-E348 WeakPolarHBondContact CB-OE1 3.41Å; R346-E348 VanDerWaalsContact CB-OE2 3.24Å; R346-E348 WeakPolarHBondContact CB-OE2 3.36Å; R346-E348 WeakPolarHBondContact CD-OE1 3.21Å; R346-E348 IonicContact NH1-OE1 2.8Å; R346-E348 PolarHBondContact O-N 2.98Å; R346-Q349 WeakPolarHBondContact O-CB 3.41Å; R346-Q349 PolarHBondContact O-N 2.87Å
347S97.6Very high94.7Very high37 Ų3742 Ų4226%0.25919%0.193SC..G310 helixtrans-60.8-27.8-172.8-65.60000114G297 L298 S299 Q349 E350G297-S347 WeakPolarHBondContact O-CB 3.1Å; G297-S347 PolarHBondContact O-N 2.9Å; G297-S347 PolarHBondContact O-OG 3.46Å; L298-S347 PolarHBondContact O-OG 2.76Å; L298-S347 VanDerWaalsContact O-OG 3.08Å; S299-S347 PolarHBondContact N-OG 3.07Å; S299-S347 VanDerWaalsContact OG-CA 3.31Å; S299-S347 WeakPolarHBondContact OG-CA 3.48Å; S299-S347 WeakPolarHBondContact OG-CB 3.37Å; S299-S347 PolarHBondContact OG-OG 2.98Å; S347-Q349 PolarHBondContact O-N 3.02Å; S347-Q349 VanDerWaalsContact O-N 3.12Å; S347-E350 VanDerWaalsContact O-CB 3.3Å; S347-E350 WeakPolarHBondContact O-CB 3.5Å; S347-E350 PolarHBondContact O-N 2.81Å; S347-E350 VanDerWaalsContact O-N 3.15Å
348E97.5Very high95.5Very high127 Ų12738.1 Ų38.159%0.59317%0.172SC*.G310 helixtrans-63-18.5174.168.7-87.2-164.100113.5R346R346-E348 VanDerWaalsContact CB-CD 3.42Å; R346-E348 WeakPolarHBondContact CB-OE1 3.41Å; R346-E348 VanDerWaalsContact CB-OE2 3.24Å; R346-E348 WeakPolarHBondContact CB-OE2 3.36Å; R346-E348 WeakPolarHBondContact CD-OE1 3.21Å; R346-E348 IonicContact NH1-OE1 2.8Å; R346-E348 PolarHBondContact O-N 2.98Å
349Q97.5Very high96.1Very high38 Ų3838.6 Ų38.618%0.17817%0.171CC..G310 helixtrans-98.7-3.2179.8-51.4-164.1-69.100113.3N326 V327 I345 R346 S347 R351 L352 A353N326-Q349 PolarHBondContact O-NE2 2.78Å; V327-Q349 HydrophobicContact CG1-CB 4.2Å; V327-Q349 HydrophobicContact CG2-CB 4.39Å; I345-Q349 HydrophobicContact CD1-CB 4.35Å; R346-Q349 WeakPolarHBondContact O-CB 3.41Å; R346-Q349 PolarHBondContact O-N 2.87Å; S347-Q349 PolarHBondContact O-N 3.02Å; S347-Q349 VanDerWaalsContact O-N 3.12Å; Q349-R351 PolarHBondContact O-N 3.36Å; Q349-L352 PolarHBondContact O-N 2.99Å; Q349-L352 VanDerWaalsContact O-N 3.09Å; Q349-A353 PolarHBondContact O-N 3.07Å
350E96.4Very high96.6Very high29 Ų2939.9 Ų39.914%0.13618%0.182CC..Hα-helixtrans-52-55.6-173.7-170.8-164.7160.800112.5Y144 S217 S347 L352 A353 V354Y144-E350 PolarHBondContact OH-OE1 3.43Å; Y144-E350 PolarHBondContact OH-OE2 3.37Å; S217-E350 WeakPolarHBondContact CB-OE1 3.47Å; S217-E350 WeakPolarHBondContact OG-CG 3.36Å; S217-E350 PolarHBondContact OG-OE1 3.09Å; S347-E350 VanDerWaalsContact O-CB 3.3Å; S347-E350 WeakPolarHBondContact O-CB 3.5Å; S347-E350 PolarHBondContact O-N 2.81Å; S347-E350 VanDerWaalsContact O-N 3.15Å; E350-L352 VanDerWaalsContact C-N 3.28Å; E350-L352 PolarHBondContact O-N 3.16Å; E350-A353 WeakPolarHBondContact O-CB 3.25Å; E350-A353 PolarHBondContact O-N 2.88Å; E350-A353 VanDerWaalsContact O-N 3.12Å; E350-V354 WeakPolarHBondContact O-CG2 3.24Å; E350-V354 PolarHBondContact O-N 2.78Å
351R96.3Very high96.8Very high135 Ų13541.4 Ų41.451%0.50919%0.187SC..Hα-helixtrans-59.3-38.7179.9180171.9-167.61725.6112.6Y144 Q349 R355Y144-R351 HydrophobicContact CD1-CB 3.96Å; Y144-R351 HydrophobicContact CD1-CG 3.84Å; Y144-R351 HydrophobicContact CE1-CB 4.19Å; Q349-R351 PolarHBondContact O-N 3.36Å; R351-R355 WeakPolarHBondContact O-CB 3.31Å; R351-R355 VanDerWaalsContact O-CG 3.25Å; R351-R355 WeakPolarHBondContact O-CG 3.46Å; R351-R355 PolarHBondContact O-N 2.74Å
352L97.1Very high96.9Very high85 Ų8542.2 Ų42.245%0.44519%0.191SC..Hα-helixtrans-69.4-40179.1-80.284.6000110.7V327 Q349 E350 S356V327-L352 HydrophobicContact CG2-CB 4.42Å; Q349-L352 PolarHBondContact O-N 2.99Å; Q349-L352 VanDerWaalsContact O-N 3.09Å; E350-L352 VanDerWaalsContact C-N 3.28Å; E350-L352 PolarHBondContact O-N 3.16Å; L352-S356 WeakPolarHBondContact O-CB 3.49Å; L352-S356 PolarHBondContact O-N 3.03Å; L352-S356 PolarHBondContact O-OG 3.21Å
353A97.7Very high96.5Very high0 Ų049.5 Ų49.50%023%0.229CC..Hα-helixtrans-63.9-51179.100000111.9V301 L322 V327 I345 Q349 E350 R355 S356 L357V301-A353 HydrophobicContact CG2-CB 4.14Å; L322-A353 HydrophobicContact CD2-CB 3.6Å; V327-A353 HydrophobicContact CG1-CB 4.26Å; V327-A353 HydrophobicContact CG2-CB 4.49Å; I345-A353 HydrophobicContact CD1-CB 3.3Å; Q349-A353 PolarHBondContact O-N 3.07Å; E350-A353 WeakPolarHBondContact O-CB 3.25Å; E350-A353 PolarHBondContact O-N 2.88Å; E350-A353 VanDerWaalsContact O-N 3.12Å; A353-R355 VanDerWaalsContact C-N 3.35Å; A353-R355 PolarHBondContact O-N 2.76Å; A353-S356 PolarHBondContact O-N 3.3Å; A353-S356 VanDerWaalsContact O-N 3.15Å; A353-L357 WeakPolarHBondContact O-CG 3.35Å; A353-L357 PolarHBondContact O-N 3Å
354V96.7Very high96.5Very high1 Ų152 Ų521%0.00624%0.241CC..Hα-helixtrans-56.8-48.4177.7175.10000111.1A140 Y144 V215 S217 V301 E350 S356 L357 Y358A140-V354 HydrophobicContact CB-CG1 4.38Å; Y144-V354 HydrophobicContact CD2-CB 4.21Å; Y144-V354 HydrophobicContact CD2-CG1 3.94Å; Y144-V354 HydrophobicContact CD2-CG2 4.08Å; Y144-V354 HydrophobicContact CE2-CG2 4.39Å; Y144-V354 HydrophobicContact CG-CB 4.39Å; Y144-V354 HydrophobicContact CG-CG1 4.23Å; V215-V354 HydrophobicContact CG1-CB 4.46Å; V215-V354 HydrophobicContact CG1-CG1 4.08Å; S217-V354 WeakPolarHBondContact OG-CG2 3.48Å; V301-V354 HydrophobicContact CG1-CG2 4.33Å; E350-V354 WeakPolarHBondContact O-CG2 3.24Å; E350-V354 PolarHBondContact O-N 2.78Å; V354-S356 VanDerWaalsContact C-N 3.32Å; V354-S356 PolarHBondContact O-N 3.12Å; V354-L357 PolarHBondContact O-N 3.07Å; V354-Y358 VanDerWaalsContact O-CB 3.26Å; V354-Y358 WeakPolarHBondContact O-CB 3.48Å; V354-Y358 PolarHBondContact O-N 3.39Å
355R97.5Very high96.5Very high97 Ų9754.7 Ų54.737%0.36625%0.253SS..Hα-helixtrans-60.2-41.5177.9-73-177.673.3152.710.8112.7Y144 I145 R351 A353 Y359Y144-R355 WeakPolarHBondContact O-CG 3.39Å; I145-R355 HydrophobicContact CD1-CB 4.27Å; I145-R355 HydrophobicContact CD1-CG 3.72Å; R351-R355 WeakPolarHBondContact O-CB 3.31Å; R351-R355 VanDerWaalsContact O-CG 3.25Å; R351-R355 WeakPolarHBondContact O-CG 3.46Å; R351-R355 PolarHBondContact O-N 2.74Å; A353-R355 VanDerWaalsContact C-N 3.35Å; A353-R355 PolarHBondContact O-N 2.76Å; R355-Y359 HydrophobicContact CB-CD2 4.32Å; R355-Y359 HydrophobicContact CB-CE2 4.21Å; R355-Y359 WeakPolarHBondContact O-CB 3.31Å; R355-Y359 WeakPolarHBondContact O-CD2 3.37Å; R355-Y359 PolarHBondContact O-N 2.79Å
356S97.4Very high96.4Very high11 Ų1157.7 Ų57.78%0.07727%0.267CS..Hα-helixtrans-67.8-43.2-177.9-55.90000111.6K325 L352 A353 V354 T360K325-S356 WeakPolarHBondContact CG-OG 3.24Å; L352-S356 WeakPolarHBondContact O-CB 3.49Å; L352-S356 PolarHBondContact O-N 3.03Å; L352-S356 PolarHBondContact O-OG 3.21Å; A353-S356 PolarHBondContact O-N 3.3Å; A353-S356 VanDerWaalsContact O-N 3.15Å; V354-S356 VanDerWaalsContact C-N 3.32Å; V354-S356 PolarHBondContact O-N 3.12Å; S356-T360 WeakPolarHBondContact O-CB 3.24Å; S356-T360 PolarHBondContact O-N 2.96Å; S356-T360 PolarHBondContact O-OG1 3.4Å
357L97.5Very high96.3Very high0 Ų055 Ų550%026%0.26CS..Hα-helixtrans-66.8-48.9176.3-67.6174.9000110.7V215 V301 L322 F343 A353 V354 Y359 T360 F361V215-L357 HydrophobicContact CG1-CB 3.99Å; V215-L357 HydrophobicContact CG1-CD1 4.13Å; V215-L357 HydrophobicContact CG2-CB 3.94Å; V301-L357 HydrophobicContact CG1-CD1 3.6Å; L322-L357 HydrophobicContact CD1-CD2 4.21Å; L322-L357 HydrophobicContact CD2-CD1 4.47Å; L322-L357 HydrophobicContact CD2-CD2 4.37Å; L322-L357 HydrophobicContact CD2-CG 4.09Å; L322-L357 HydrophobicContact CG-CD2 4.08Å; L322-L357 HydrophobicContact CG-CG 4.35Å; F343-L357 HydrophobicContact CD2-CD1 4.34Å; F343-L357 HydrophobicContact CE2-CD1 4.37Å; F343-L357 HydrophobicContact CE2-CD2 4.49Å; A353-L357 WeakPolarHBondContact O-CG 3.35Å; A353-L357 PolarHBondContact O-N 3Å; V354-L357 PolarHBondContact O-N 3.07Å; L357-Y359 PolarHBondContact O-N 3.38Å; L357-T360 WeakPolarHBondContact O-CB 3.14Å; L357-T360 PolarHBondContact O-N 3.37Å; L357-F361 HydrophobicContact CD2-CE2 4.4Å; L357-F361 VanDerWaalsContact O-CD2 3.24Å; L357-F361 WeakPolarHBondContact O-CD2 3.36Å; L357-F361 PolarHBondContact O-N 2.91Å
358Y96.9Very high96.2Very high9 Ų956.1 Ų56.14%0.03526%0.26CS..Hα-helixtrans-54.3-56.5179.8-179-89.3000111.7A139 A140 I145 P148 E149 V354 T360 F361 F362A139-Y358 HydrophobicContact CB-CE2 4.05Å; A140-Y358 HydrophobicContact CB-CD2 3.48Å; A140-Y358 VanDerWaalsContact CB-CD2 3.48Å; A140-Y358 HydrophobicContact CB-CE2 4.01Å; A140-Y358 HydrophobicContact CB-CG 4.25Å; I145-Y358 HydrophobicContact CD1-CD1 3.81Å; I145-Y358 HydrophobicContact CD1-CG 3.75Å; I145-Y358 HydrophobicContact CG1-CD1 3.96Å; I145-Y358 HydrophobicContact CG1-CD2 4.06Å; I145-Y358 HydrophobicContact CG1-CE1 4.48Å; I145-Y358 HydrophobicContact CG1-CG 3.75Å; I145-Y358 HydrophobicContact CG2-CD1 3.77Å; I145-Y358 HydrophobicContact CG2-CE1 3.53Å; I145-Y358 HydrophobicContact CG2-CE2 4.35Å; I145-Y358 HydrophobicContact CG2-CG 4.32Å; P148-Y358 WeakPolarHBondContact CA-OH 3.43Å; P148-Y358 HydrophobicContact CB-CE2 4.18Å; E149-Y358 PolarHBondContact N-OH 2.78Å; V354-Y358 VanDerWaalsContact O-CB 3.26Å; V354-Y358 WeakPolarHBondContact O-CB 3.48Å; V354-Y358 PolarHBondContact O-N 3.39Å; Y358-T360 PolarHBondContact O-N 3.13Å; Y358-F361 PolarHBondContact O-N 2.76Å; Y358-F361 VanDerWaalsContact O-N 3.08Å; Y358-F362 HydrophobicContact CD1-CB 4.42Å; Y358-F362 HydrophobicContact CD2-CB 4.31Å; Y358-F362 AromaticContact CD2-CD2 3.7Å; Y358-F362 HydrophobicContact CD2-CD2 3.7Å; Y358-F362 HydrophobicContact CD2-CE2 4.27Å; Y358-F362 HydrophobicContact CD2-CG 4.09Å; Y358-F362 HydrophobicContact CE1-CB 4.01Å; Y358-F362 HydrophobicContact CE2-CB 3.94Å; Y358-F362 HydrophobicContact CE2-CD1 4.41Å; Y358-F362 AromaticContact CE2-CD2 3.92Å; Y358-F362 HydrophobicContact CE2-CD2 3.92Å; Y358-F362 AromaticContact CE2-CG 3.84Å; Y358-F362 HydrophobicContact CE2-CG 3.84Å; Y358-F362 HydrophobicContact CG-CD2 4.25Å; Y358-F362 WeakPolarHBondContact O-CB 2.97Å; Y358-F362 WeakPolarHBondContact O-CD2 3.28Å; Y358-F362 PolarHBondContact O-N 3.13Å
359Y96.7Very high96.1Very high84 Ų8451.4 Ų51.433%0.32924%0.238SC..Hα-helixtrans-69.9-1.7179.8-62.3-50.1000114.4R355 L357 D363R355-Y359 HydrophobicContact CB-CD2 4.32Å; R355-Y359 HydrophobicContact CB-CE2 4.21Å; R355-Y359 WeakPolarHBondContact O-CB 3.31Å; R355-Y359 WeakPolarHBondContact O-CD2 3.37Å; R355-Y359 PolarHBondContact O-N 2.79Å; L357-Y359 PolarHBondContact O-N 3.38Å; Y359-D363 VanDerWaalsContact CD1-CG 3.48Å; Y359-D363 WeakPolarHBondContact CD1-OD2 3.46Å
360T96.3Very high96Very high56 Ų5652.4 Ų52.434%0.34424%0.242SC..Hα-helixtrans-92-27.2172.5-61.60000111.4D317 A321 S356 L357 Y358D317-T360 HydrophobicContact CB-CG2 4.21Å; A321-T360 HydrophobicContact CB-CG2 4.25Å; A321-T360 WeakPolarHBondContact CB-OG1 3.38Å; S356-T360 WeakPolarHBondContact O-CB 3.24Å; S356-T360 PolarHBondContact O-N 2.96Å; S356-T360 PolarHBondContact O-OG1 3.4Å; L357-T360 WeakPolarHBondContact O-CB 3.14Å; L357-T360 PolarHBondContact O-N 3.37Å; Y358-T360 PolarHBondContact O-N 3.13Å
361F95.5Very high95.9Very high48 Ų4854.2 Ų54.221%0.21125%0.251CS..Hα-helixtrans-113.3-14.9-173.4-67.3-71.5000114.1V212 L303 T314 D317 S318 L357 Y358V212-F361 HydrophobicContact CB-CB 4.13Å; V212-F361 HydrophobicContact CB-CG 4.3Å; V212-F361 HydrophobicContact CG1-CB 4.43Å; V212-F361 HydrophobicContact CG2-CB 4.12Å; V212-F361 HydrophobicContact CG2-CD1 3.62Å; V212-F361 HydrophobicContact CG2-CD2 4.3Å; V212-F361 HydrophobicContact CG2-CE1 4.08Å; V212-F361 HydrophobicContact CG2-CG 3.75Å; L303-F361 HydrophobicContact CD1-CD2 3.71Å; L303-F361 HydrophobicContact CD1-CE2 3.92Å; L303-F361 HydrophobicContact CD1-CG 4.49Å; L303-F361 HydrophobicContact CD2-CD2 4.04Å; L303-F361 HydrophobicContact CD2-CE1 4.43Å; L303-F361 HydrophobicContact CD2-CE2 3.47Å; L303-F361 VanDerWaalsContact CD2-CE2 3.47Å; L303-F361 HydrophobicContact CD2-CZ 3.7Å; L303-F361 HydrophobicContact CG-CE2 4.37Å; T314-F361 HydrophobicContact CG2-CE1 3.97Å; T314-F361 HydrophobicContact CG2-CZ 3.94Å; D317-F361 HydrophobicContact CB-CE1 4.36Å; D317-F361 HydrophobicContact CB-CZ 4.06Å; S318-F361 WeakPolarHBondContact OG-CE2 3.49Å; S318-F361 WeakPolarHBondContact OG-CZ 3.17Å; L357-F361 HydrophobicContact CD2-CE2 4.4Å; L357-F361 VanDerWaalsContact O-CD2 3.24Å; L357-F361 WeakPolarHBondContact O-CD2 3.36Å; L357-F361 PolarHBondContact O-N 2.91Å; Y358-F361 PolarHBondContact O-N 2.76Å; Y358-F361 VanDerWaalsContact O-N 3.08Å
362F94.8Very high95.9Very high18 Ų1847.4 Ų47.48%0.07923%0.229CC..  trans-123.8-1.7-176.7-61.4-90.6000113.8A139 V212 V215 Y358A139-F362 HydrophobicContact CB-CD1 4.03Å; A139-F362 HydrophobicContact CB-CE1 3.49Å; A139-F362 VanDerWaalsContact CB-CE1 3.49Å; A139-F362 HydrophobicContact CB-CE2 4.36Å; A139-F362 HydrophobicContact CB-CZ 3.69Å; V212-F362 HydrophobicContact CB-CE2 4.36Å; V212-F362 HydrophobicContact CB-CZ 4.28Å; V212-F362 HydrophobicContact CG1-CE2 3.76Å; V212-F362 HydrophobicContact CG1-CZ 3.84Å; V212-F362 VanDerWaalsContact O-CZ 3.3Å; V212-F362 WeakPolarHBondContact O-CZ 3.39Å; V215-F362 HydrophobicContact CG2-CE2 4.28Å; Y358-F362 HydrophobicContact CD1-CB 4.42Å; Y358-F362 HydrophobicContact CD2-CB 4.31Å; Y358-F362 AromaticContact CD2-CD2 3.7Å; Y358-F362 HydrophobicContact CD2-CD2 3.7Å; Y358-F362 HydrophobicContact CD2-CE2 4.27Å; Y358-F362 HydrophobicContact CD2-CG 4.09Å; Y358-F362 HydrophobicContact CE1-CB 4.01Å; Y358-F362 HydrophobicContact CE2-CB 3.94Å; Y358-F362 HydrophobicContact CE2-CD1 4.41Å; Y358-F362 AromaticContact CE2-CD2 3.92Å; Y358-F362 HydrophobicContact CE2-CD2 3.92Å; Y358-F362 AromaticContact CE2-CG 3.84Å; Y358-F362 HydrophobicContact CE2-CG 3.84Å; Y358-F362 HydrophobicContact CG-CD2 4.25Å; Y358-F362 WeakPolarHBondContact O-CB 2.97Å; Y358-F362 WeakPolarHBondContact O-CD2 3.28Å; Y358-F362 PolarHBondContact O-N 3.13Å
363D86.9Confident95.8Very high160 Ų16044 Ų4486%0.85621%0.209SC*.  trans-115.60167.8-76.48.8000109.1Y359Y359-D363 VanDerWaalsContact CD1-CG 3.48Å; Y359-D363 WeakPolarHBondContact CD1-OD2 3.46Å

Retrieved 363 of 363 residues in 447.1 ms (Link to these results)

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