A0A093I4V3_STRCA Loading...

Trafficking protein particle complex subunit 3

May play a role in vesicular transport from endoplasmic reticulum to Golgi.

AlphaFold DB , UniProt , Accession A0A093I4V3, Species STRCA (Struthio camelus australis), Gene n/a, Length 166 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1N62.7Low87.2Confident173 Ų17379 Ų7993%0.92544%0.443SS*.  033.90-139.51.1000110.9
2S78.2Confident87.9Confident72 Ų7277.8 Ų77.850%0.50343%0.434SS..Hα-helixtrans-73.5-37.5178.943.10000111.6L4 F5 T6S2-L4 VanDerWaalsContact C-N 3.31Å; S2-L4 PolarHBondContact O-N 3.16Å; S2-F5 WeakPolarHBondContact O-CA 3.43Å; S2-F5 WeakPolarHBondContact O-CB 3.49Å; S2-F5 PolarHBondContact O-N 3.39Å; S2-T6 PolarHBondContact O-N 2.91Å; S2-T6 PolarHBondContact O-OG1 2.83Å
3E83.8Confident88.5Confident130 Ų13072.1 Ų72.161%0.60740%0.402SS*.Hα-helixtrans-55.4-43.1178.4-65.7173.1179.400112.8F5 T6 L7E3-F5 VanDerWaalsContact C-N 3.28Å; E3-F5 PolarHBondContact O-N 3.05Å; E3-T6 PolarHBondContact O-N 3.45Å; E3-L7 WeakPolarHBondContact O-CB 3.29Å; E3-L7 VanDerWaalsContact O-CG 3.28Å; E3-L7 WeakPolarHBondContact O-CG 3.48Å; E3-L7 PolarHBondContact O-N 3.26Å
4L87.5Confident88.9Confident101 Ų10172.1 Ų72.153%0.52941%0.406SS..Hα-helixtrans-60.2-40.5176.6179.962.3000111.6S2 T8S2-L4 VanDerWaalsContact C-N 3.31Å; S2-L4 PolarHBondContact O-N 3.16Å; L4-T8 VanDerWaalsContact O-CB 3.32Å; L4-T8 WeakPolarHBondContact O-CB 2.9Å; L4-T8 PolarHBondContact O-N 2.94Å; L4-T8 PolarHBondContact O-OG1 3.31Å
5F88.3Confident89.3Confident100 Ų10073.4 Ų73.444%0.43941%0.407SS..Hα-helixtrans-68.3-45.8177178.6-113.1000111.5S2 E3 L7 T8 Y9 L73 L98S2-F5 WeakPolarHBondContact O-CA 3.43Å; S2-F5 WeakPolarHBondContact O-CB 3.49Å; S2-F5 PolarHBondContact O-N 3.39Å; E3-F5 VanDerWaalsContact C-N 3.28Å; E3-F5 PolarHBondContact O-N 3.05Å; F5-L7 PolarHBondContact O-N 2.89Å; F5-T8 PolarHBondContact O-N 2.85Å; F5-Y9 WeakPolarHBondContact O-CB 3.36Å; F5-Y9 PolarHBondContact O-N 3.28Å; F5-L73 HydrophobicContact CE1-CD2 3.98Å; F5-L98 HydrophobicContact CD1-CD2 3.92Å; F5-L98 HydrophobicContact CE1-CD2 3.3Å; F5-L98 HydrophobicContact CZ-CD2 4.03Å
6T89.4Confident89.7Confident5 Ų569.8 Ų69.83%0.03139%0.387CS..Hα-helixtrans-57.3-47.4176-55.40000111.6S2 E3 Y9 G10 P97 D100S2-T6 PolarHBondContact O-N 2.91Å; S2-T6 PolarHBondContact O-OG1 2.83Å; E3-T6 PolarHBondContact O-N 3.45Å; T6-Y9 PolarHBondContact O-N 3.35Å; T6-G10 PolarHBondContact O-N 2.93Å; T6-P97 WeakPolarHBondContact CG2-O 3.45Å; T6-P97 PolarHBondContact OG1-O 3.02Å; T6-D100 HydrophobicContact CG2-CB 4.12Å; T6-D100 VanDerWaalsContact CG2-O 3.29Å; T6-D100 WeakPolarHBondContact CG2-O 3.2Å
7L91.1Very high89.9Confident120 Ų12067.4 Ų67.463%0.62838%0.376SS*.Hα-helixtrans-66.4-39.6178.6-68.4173.2000112.4E3 F5 Y9 G10 A11E3-L7 WeakPolarHBondContact O-CB 3.29Å; E3-L7 VanDerWaalsContact O-CG 3.28Å; E3-L7 WeakPolarHBondContact O-CG 3.48Å; E3-L7 PolarHBondContact O-N 3.26Å; F5-L7 PolarHBondContact O-N 2.89Å; L7-Y9 VanDerWaalsContact C-N 3.32Å; L7-G10 PolarHBondContact O-N 3.08Å; L7-A11 WeakPolarHBondContact O-CB 3.47Å; L7-A11 PolarHBondContact O-N 3.19Å
8T93.3Very high90.1Very high84 Ų8472.1 Ų72.152%0.51539%0.391SS..Hα-helixtrans-64.4-41175.9-56.80000110.7L4 F5 A11 L12L4-T8 VanDerWaalsContact O-CB 3.32Å; L4-T8 WeakPolarHBondContact O-CB 2.9Å; L4-T8 PolarHBondContact O-N 2.94Å; L4-T8 PolarHBondContact O-OG1 3.31Å; F5-T8 PolarHBondContact O-N 2.85Å; T8-A11 PolarHBondContact O-N 2.7Å; T8-L12 PolarHBondContact O-N 2.85Å
9Y95.4Very high90.4Very high7 Ų773.7 Ų73.73%0.02740%0.4CS..Hα-helixtrans-65.1-43.6175.7-173.6-112.5000111.8F5 T6 L7 A11 L12 V13 L30 L98 Y113 L116F5-Y9 WeakPolarHBondContact O-CB 3.36Å; F5-Y9 PolarHBondContact O-N 3.28Å; T6-Y9 PolarHBondContact O-N 3.35Å; L7-Y9 VanDerWaalsContact C-N 3.32Å; Y9-A11 VanDerWaalsContact C-N 3.33Å; Y9-A11 PolarHBondContact O-N 2.93Å; Y9-L12 HydrophobicContact CD2-CD2 4.3Å; Y9-L12 HydrophobicContact CE2-CD2 4.44Å; Y9-L12 WeakPolarHBondContact O-CB 3.47Å; Y9-L12 PolarHBondContact O-N 3.42Å; Y9-L12 VanDerWaalsContact O-N 3.14Å; Y9-V13 HydrophobicContact CD1-CG2 4.19Å; Y9-V13 HydrophobicContact CE1-CG2 3.75Å; Y9-V13 HydrophobicContact CE2-CG2 4.09Å; Y9-V13 WeakPolarHBondContact O-CG2 3.45Å; Y9-V13 PolarHBondContact O-N 3.22Å; Y9-L30 HydrophobicContact CE2-CD2 4.2Å; Y9-L98 HydrophobicContact CD1-CB 4.18Å; Y9-L98 HydrophobicContact CD1-CD1 4.49Å; Y9-L98 HydrophobicContact CD1-CD2 4Å; Y9-L98 HydrophobicContact CD1-CG 4.48Å; Y9-L98 HydrophobicContact CE1-CB 4.31Å; Y9-L98 HydrophobicContact CE1-CD1 4.23Å; Y9-L98 HydrophobicContact CG-CD2 4.15Å; Y9-Y113 HydrophobicContact CD1-CD1 4.4Å; Y9-Y113 AromaticContact CD1-CE1 3.57Å; Y9-Y113 HydrophobicContact CD1-CE1 3.57Å; Y9-Y113 AromaticContact CD1-CZ 3.94Å; Y9-Y113 AromaticContact CE1-CD1 3.78Å; Y9-Y113 HydrophobicContact CE1-CD1 3.78Å; Y9-Y113 AromaticContact CE1-CE1 3.39Å; Y9-Y113 HydrophobicContact CE1-CE1 3.39Å; Y9-Y113 AromaticContact CE1-CZ 3.98Å; Y9-Y113 VanDerWaalsContact CE1-O 3.3Å; Y9-Y113 WeakPolarHBondContact CE1-O 3.46Å; Y9-Y113 VanDerWaalsContact CZ-O 3.28Å; Y9-Y113 PolarHBondContact OH-O 3.24Å; Y9-L116 HydrophobicContact CD2-CD2 4.11Å; Y9-L116 HydrophobicContact CE2-CB 3.83Å; Y9-L116 HydrophobicContact CE2-CD2 3.66Å; Y9-L116 HydrophobicContact CE2-CG 4.21Å; Y9-L116 WeakPolarHBondContact OH-CB 3.1Å
10G94.9Very high90.5Very high15 Ų1573.9 Ų73.916%0.15540%0.395CS..Hα-helixtrans-61.4-38.9174.800000113.3T6 L7 V13 T14 Y113T6-G10 PolarHBondContact O-N 2.93Å; L7-G10 PolarHBondContact O-N 3.08Å; G10-V13 PolarHBondContact O-N 3.32Å; G10-T14 VanDerWaalsContact O-CB 3.27Å; G10-T14 WeakPolarHBondContact O-CB 3.22Å; G10-T14 PolarHBondContact O-N 3.4Å; G10-T14 PolarHBondContact O-OG1 2.83Å; G10-Y113 WeakPolarHBondContact CA-OH 3.2Å
11A94.6Very high90.5Very high62 Ų6279.9 Ų79.951%0.51242%0.42SS..Hα-helixtrans-63.7-41.2173.200000112L7 T8 Y9 Q15L7-A11 WeakPolarHBondContact O-CB 3.47Å; L7-A11 PolarHBondContact O-N 3.19Å; T8-A11 PolarHBondContact O-N 2.7Å; Y9-A11 VanDerWaalsContact C-N 3.33Å; Y9-A11 PolarHBondContact O-N 2.93Å; A11-Q15 WeakPolarHBondContact O-CB 3.43Å; A11-Q15 PolarHBondContact O-N 3.49Å
12L96.1Very high92Very high64 Ų6474.2 Ų74.234%0.33539%0.39SS..Hα-helixtrans-60.8-51.8174.8174.667.2000111.3T8 Y9 T14 Q15 L16 M33T8-L12 PolarHBondContact O-N 2.85Å; Y9-L12 HydrophobicContact CD2-CD2 4.3Å; Y9-L12 HydrophobicContact CE2-CD2 4.44Å; Y9-L12 WeakPolarHBondContact O-CB 3.47Å; Y9-L12 PolarHBondContact O-N 3.42Å; Y9-L12 VanDerWaalsContact O-N 3.14Å; L12-T14 VanDerWaalsContact C-N 3.33Å; L12-T14 PolarHBondContact O-N 2.81Å; L12-Q15 PolarHBondContact O-N 3.44Å; L12-L16 HydrophobicContact CG-CD1 4.36Å; L12-L16 WeakPolarHBondContact O-CG 3.45Å; L12-L16 PolarHBondContact O-N 2.73Å; L12-M33 HydrophobicContact CD1-SD 4.27Å; L12-M33 HydrophobicContact CD2-SD 4.41Å
13V95.5Very high92.8Very high4 Ų471.6 Ų71.62%0.02437%0.37CS..Hα-helixtrans-61.3-44.1179.6178.10000110.7Y9 G10 Q15 L16 C17 L30 L111 Y113Y9-V13 HydrophobicContact CD1-CG2 4.19Å; Y9-V13 HydrophobicContact CE1-CG2 3.75Å; Y9-V13 HydrophobicContact CE2-CG2 4.09Å; Y9-V13 WeakPolarHBondContact O-CG2 3.45Å; Y9-V13 PolarHBondContact O-N 3.22Å; G10-V13 PolarHBondContact O-N 3.32Å; V13-Q15 VanDerWaalsContact C-N 3.27Å; V13-Q15 PolarHBondContact O-N 2.83Å; V13-L16 PolarHBondContact O-N 3.32Å; V13-C17 PolarHBondContact O-N 3.29Å; V13-C17 PolarHBondContact O-SG 3.48Å; V13-C17 VanDerWaalsContact O-SG 3.38Å; V13-L30 HydrophobicContact CG2-CD1 4.44Å; V13-L30 HydrophobicContact CG2-CD2 4.1Å; V13-L111 HydrophobicContact CG1-CD2 4.11Å; V13-Y113 HydrophobicContact CB-CD2 4.35Å; V13-Y113 HydrophobicContact CB-CE2 3.86Å; V13-Y113 HydrophobicContact CG1-CD2 3.77Å; V13-Y113 HydrophobicContact CG1-CE2 3.73Å; V13-Y113 HydrophobicContact CG2-CD2 4.29Å; V13-Y113 HydrophobicContact CG2-CE2 3.92Å
14T94.1Very high93.4Very high73 Ų7370.8 Ų70.845%0.44837%0.367SS..Hα-helixtrans-58.4-40.4176.3-60.80000111.8G10 L12 K18G10-T14 VanDerWaalsContact O-CB 3.27Å; G10-T14 WeakPolarHBondContact O-CB 3.22Å; G10-T14 PolarHBondContact O-N 3.4Å; G10-T14 PolarHBondContact O-OG1 2.83Å; L12-T14 VanDerWaalsContact C-N 3.33Å; L12-T14 PolarHBondContact O-N 2.81Å; T14-K18 WeakPolarHBondContact O-CG 3.35Å; T14-K18 PolarHBondContact O-N 3.29Å
15Q95.3Very high93.8Very high91 Ų9168.5 Ų68.543%0.42536%0.355SS..Hα-helixtrans-67-43.3177.8-172.857.447.400111.2A11 L12 V13 C17 K18 D19A11-Q15 WeakPolarHBondContact O-CB 3.43Å; A11-Q15 PolarHBondContact O-N 3.49Å; L12-Q15 PolarHBondContact O-N 3.44Å; V13-Q15 VanDerWaalsContact C-N 3.27Å; V13-Q15 PolarHBondContact O-N 2.83Å; Q15-C17 PolarHBondContact O-N 2.89Å; Q15-K18 WeakPolarHBondContact O-CB 3.06Å; Q15-K18 PolarHBondContact O-N 2.81Å; Q15-K18 VanDerWaalsContact O-N 3.08Å; Q15-D19 VanDerWaalsContact NE2-CG 3.34Å; Q15-D19 PolarHBondContact NE2-OD1 3.2Å; Q15-D19 PolarHBondContact NE2-OD2 2.71Å; Q15-D19 VanDerWaalsContact O-CG 3.25Å; Q15-D19 PolarHBondContact O-N 2.97Å
16L95.4Very high94.3Very high16 Ų1663.8 Ų63.88%0.08433%0.334CS..Hα-helixtrans-61.2-43.1175.7-64.4168.6000112.1L12 V13 K18 D19 Y20 V26 Q29 L30 M33L12-L16 HydrophobicContact CG-CD1 4.36Å; L12-L16 WeakPolarHBondContact O-CG 3.45Å; L12-L16 PolarHBondContact O-N 2.73Å; V13-L16 PolarHBondContact O-N 3.32Å; L16-K18 PolarHBondContact O-N 2.51Å; L16-D19 PolarHBondContact O-N 3.4Å; L16-D19 VanDerWaalsContact O-N 3.1Å; L16-Y20 HydrophobicContact CB-CD2 4.46Å; L16-Y20 HydrophobicContact CD2-CD2 4.36Å; L16-Y20 HydrophobicContact CD2-CE2 3.96Å; L16-Y20 WeakPolarHBondContact O-CD2 3.46Å; L16-Y20 PolarHBondContact O-N 3.33Å; L16-V26 HydrophobicContact CB-CG1 3.88Å; L16-V26 HydrophobicContact CB-CG2 4.34Å; L16-V26 HydrophobicContact CD1-CG1 4.32Å; L16-Q29 HydrophobicContact CD2-CB 4.41Å; L16-L30 HydrophobicContact CD1-CD2 3.49Å; L16-L30 VanDerWaalsContact CD1-CD2 3.49Å; L16-L30 HydrophobicContact CD1-CG 3.82Å; L16-M33 HydrophobicContact CD1-CE 3.43Å; L16-M33 VanDerWaalsContact CD1-CE 3.43Å; L16-M33 HydrophobicContact CD2-CE 3.86Å; L16-M33 HydrophobicContact CG-CE 4.2Å
17C93.6Very high94.7Very high29 Ų2964.4 Ų64.420%0.19634%0.337CS..Hα-helixtrans-63.7-20.2176.8-65.40000113.4V13 Q15V13-C17 PolarHBondContact O-N 3.29Å; V13-C17 PolarHBondContact O-SG 3.48Å; V13-C17 VanDerWaalsContact O-SG 3.38Å; Q15-C17 PolarHBondContact O-N 2.89Å
18K93.6Very high95Very high151 Ų15164.5 Ų64.566%0.65733%0.333SS*.Hα-helixtrans-85.4-34.1172.3-69.4171.9-177.4174.60112.6T14 Q15 L16T14-K18 WeakPolarHBondContact O-CG 3.35Å; T14-K18 PolarHBondContact O-N 3.29Å; Q15-K18 WeakPolarHBondContact O-CB 3.06Å; Q15-K18 PolarHBondContact O-N 2.81Å; Q15-K18 VanDerWaalsContact O-N 3.08Å; L16-K18 PolarHBondContact O-N 2.51Å
19D95.2Very high95.2Very high103 Ų10363 Ų6355%0.55132%0.32SS*.Hα-helixtrans-82-21.6-176.1-65.6-19.1000112.7Q15 L16Q15-D19 VanDerWaalsContact NE2-CG 3.34Å; Q15-D19 PolarHBondContact NE2-OD1 3.2Å; Q15-D19 PolarHBondContact NE2-OD2 2.71Å; Q15-D19 VanDerWaalsContact O-CG 3.25Å; Q15-D19 PolarHBondContact O-N 2.97Å; L16-D19 PolarHBondContact O-N 3.4Å; L16-D19 VanDerWaalsContact O-N 3.1Å
20Y93.1Very high95.3Very high77 Ų7762.7 Ų62.730%0.30232%0.319SS..  trans-116.9144.4179.8-68.5-87.8000111.7L16 D25 V26 Q29L16-Y20 HydrophobicContact CB-CD2 4.46Å; L16-Y20 HydrophobicContact CD2-CD2 4.36Å; L16-Y20 HydrophobicContact CD2-CE2 3.96Å; L16-Y20 WeakPolarHBondContact O-CD2 3.46Å; L16-Y20 PolarHBondContact O-N 3.33Å; Y20-D25 HydrophobicContact CD1-CB 3.6Å; Y20-D25 HydrophobicContact CE1-CB 4.25Å; Y20-D25 HydrophobicContact CG-CB 4.27Å; Y20-V26 HydrophobicContact CD2-CG2 4.43Å; Y20-V26 HydrophobicContact CG-CG2 4.34Å; Y20-Q29 HydrophobicContact CE1-CG 4Å; Y20-Q29 HydrophobicContact CE2-CG 3.82Å; Y20-Q29 VanDerWaalsContact CZ-CG 3.47Å; Y20-Q29 VanDerWaalsContact OH-CD 3.3Å; Y20-Q29 WeakPolarHBondContact OH-CG 3.3Å; Y20-Q29 PolarHBondContact OH-NE2 3.45Å; Y20-Q29 VanDerWaalsContact OH-NE2 3.14Å
21E88.9Confident95.5Very high200 Ų20063.7 Ų63.794%0.93532%0.321SS*.SBendtrans-80.6-21.2-177.6-62.6-176.617200113.5
22N93.9Very high95.7Very high54 Ų5466.5 Ų66.529%0.28932%0.321SS..SBendtrans-138151.8-17567.172.9000112.4E24 D25 V26N22-E24 VanDerWaalsContact C-N 3.26Å; N22-E24 PolarHBondContact O-N 3Å; N22-E24 WeakPolarHBondContact OD1-CB 3.3Å; N22-E24 PolarHBondContact OD1-N 3.09Å; N22-D25 PolarHBondContact ND2-OD2 2.93Å; N22-D25 PolarHBondContact O-N 3.23Å; N22-D25 WeakPolarHBondContact OD1-CB 3.47Å; N22-D25 VanDerWaalsContact OD1-CG 3.28Å; N22-D25 PolarHBondContact OD1-N 2.76Å; N22-D25 PolarHBondContact OD1-OD2 2.9Å; N22-V26 PolarHBondContact O-N 3.49Å
23D95.6Very high95.8Very high17 Ų1766 Ų669%0.09132%0.318CS..Hα-helixtrans-63.4-29.9-178.9-71.5-10000113.4D25 V26 N27 H108 S110 L111D23-D25 VanDerWaalsContact C-N 3.34Å; D23-D25 PolarHBondContact O-N 3.38Å; D23-V26 PolarHBondContact O-N 2.92Å; D23-N27 WeakPolarHBondContact O-CB 3.2Å; D23-N27 PolarHBondContact O-N 3.45Å; D23-N27 PolarHBondContact O-ND2 3.43Å; D23-H108 IonicContact OD1-CE1 2.59Å; D23-H108 IonicContact OD1-CG 3.65Å; D23-H108 IonicContact OD1-ND1 2.7Å; D23-H108 PolarHBondContact OD1-ND1 3.03Å; D23-H108 WeakPolarHBondContact OD2-CA 3.45Å; D23-S110 WeakPolarHBondContact OD2-CA 3.38Å; D23-S110 WeakPolarHBondContact OD2-CB 3.44Å; D23-S110 PolarHBondContact OD2-N 3.41Å; D23-S110 VanDerWaalsContact OD2-N 3.08Å; D23-L111 HydrophobicContact CB-CB 4.27Å; D23-L111 PolarHBondContact OD2-N 3.33Å
24E96.1Very high95.9Very high114 Ų11465.8 Ų65.853%0.53332%0.316SS..Hα-helixtrans-67.5-38.6-175.9-67.5147-170.900111.1N22 N27 K28N22-E24 VanDerWaalsContact C-N 3.26Å; N22-E24 PolarHBondContact O-N 3Å; N22-E24 WeakPolarHBondContact OD1-CB 3.3Å; N22-E24 PolarHBondContact OD1-N 3.09Å; E24-N27 WeakPolarHBondContact O-CB 3.47Å; E24-N27 PolarHBondContact O-N 2.89Å; E24-K28 VanDerWaalsContact O-CG 3.31Å; E24-K28 WeakPolarHBondContact O-CG 3.42Å; E24-K28 PolarHBondContact O-N 3.31Å
25D96.9Very high96.1Very high52 Ų5265 Ų6528%0.27831%0.306SS..Hα-helixtrans-73.3-37.1175.5-67.6-29.5000111.4Y20 N22 D23 N27 K28 Q29Y20-D25 HydrophobicContact CD1-CB 3.6Å; Y20-D25 HydrophobicContact CE1-CB 4.25Å; Y20-D25 HydrophobicContact CG-CB 4.27Å; N22-D25 PolarHBondContact ND2-OD2 2.93Å; N22-D25 PolarHBondContact O-N 3.23Å; N22-D25 WeakPolarHBondContact OD1-CB 3.47Å; N22-D25 VanDerWaalsContact OD1-CG 3.28Å; N22-D25 PolarHBondContact OD1-N 2.76Å; N22-D25 PolarHBondContact OD1-OD2 2.9Å; D23-D25 VanDerWaalsContact C-N 3.34Å; D23-D25 PolarHBondContact O-N 3.38Å; D25-N27 VanDerWaalsContact C-N 3.32Å; D25-N27 PolarHBondContact O-N 3.02Å; D25-K28 PolarHBondContact O-N 3.44Å; D25-K28 IonicContact OD1-NZ 3.61Å; D25-K28 PolarHBondContact OD1-NZ 2.88Å; D25-Q29 VanDerWaalsContact O-CG 3.3Å; D25-Q29 WeakPolarHBondContact O-CG 3.18Å; D25-Q29 PolarHBondContact O-N 3.17Å
26V97.4Very high96.3Very high1 Ų164.9 Ų64.91%0.00631%0.308CS..Hα-helixtrans-58.2-46.6169.9179.10000110.5L16 Y20 N22 D23 K28 Q29 L30 L111L16-V26 HydrophobicContact CB-CG1 3.88Å; L16-V26 HydrophobicContact CB-CG2 4.34Å; L16-V26 HydrophobicContact CD1-CG1 4.32Å; Y20-V26 HydrophobicContact CD2-CG2 4.43Å; Y20-V26 HydrophobicContact CG-CG2 4.34Å; N22-V26 PolarHBondContact O-N 3.49Å; D23-V26 PolarHBondContact O-N 2.92Å; V26-K28 PolarHBondContact O-N 3.45Å; V26-Q29 PolarHBondContact O-N 3.33Å; V26-Q29 VanDerWaalsContact O-N 3.13Å; V26-L30 HydrophobicContact CG1-CD1 4.05Å; V26-L30 HydrophobicContact CG1-CG 4.32Å; V26-L30 WeakPolarHBondContact O-CG 3.37Å; V26-L30 PolarHBondContact O-N 2.74Å; V26-L111 HydrophobicContact CB-CD1 4Å; V26-L111 HydrophobicContact CG1-CD1 3.49Å; V26-L111 VanDerWaalsContact CG1-CD1 3.49Å
27N97.8Very high96.4Very high18 Ų1867.8 Ų67.810%0.09632%0.323CS..Hα-helixtrans-58.7-46.3178.1-72.3-23.8000111.7D23 E24 D25 Q29 D31 S110 I112 N115D23-N27 WeakPolarHBondContact O-CB 3.2Å; D23-N27 PolarHBondContact O-N 3.45Å; D23-N27 PolarHBondContact O-ND2 3.43Å; E24-N27 WeakPolarHBondContact O-CB 3.47Å; E24-N27 PolarHBondContact O-N 2.89Å; D25-N27 VanDerWaalsContact C-N 3.32Å; D25-N27 PolarHBondContact O-N 3.02Å; N27-Q29 VanDerWaalsContact C-N 3.3Å; N27-Q29 PolarHBondContact O-N 3.13Å; N27-D31 WeakPolarHBondContact O-CB 3.31Å; N27-D31 PolarHBondContact O-N 3.17Å; N27-S110 PolarHBondContact ND2-O 3Å; N27-I112 PolarHBondContact OD1-N 2.9Å; N27-N115 PolarHBondContact O-ND2 2.93Å
28K97.8Very high96.6Very high122 Ų12266.4 Ų66.453%0.5331%0.314SS..Hα-helixtrans-61.9-37.8176.1-70.2168.6-157.6154.80112E24 D25 V26 K32E24-K28 VanDerWaalsContact O-CG 3.31Å; E24-K28 WeakPolarHBondContact O-CG 3.42Å; E24-K28 PolarHBondContact O-N 3.31Å; D25-K28 PolarHBondContact O-N 3.44Å; D25-K28 IonicContact OD1-NZ 3.61Å; D25-K28 PolarHBondContact OD1-NZ 2.88Å; V26-K28 PolarHBondContact O-N 3.45Å; K28-K32 VanDerWaalsContact O-CB 3.29Å; K28-K32 WeakPolarHBondContact O-CB 3.3Å; K28-K32 PolarHBondContact O-N 3Å
29Q98.1Very high96.8Very high54 Ų5461 Ų6125%0.25229%0.293SS..Hα-helixtrans-72.9-43.6179.6-68.5-60.4-15.400112.7L16 Y20 D25 V26 N27 D31 K32 M33L16-Q29 HydrophobicContact CD2-CB 4.41Å; Y20-Q29 HydrophobicContact CE1-CG 4Å; Y20-Q29 HydrophobicContact CE2-CG 3.82Å; Y20-Q29 VanDerWaalsContact CZ-CG 3.47Å; Y20-Q29 VanDerWaalsContact OH-CD 3.3Å; Y20-Q29 WeakPolarHBondContact OH-CG 3.3Å; Y20-Q29 PolarHBondContact OH-NE2 3.45Å; Y20-Q29 VanDerWaalsContact OH-NE2 3.14Å; D25-Q29 VanDerWaalsContact O-CG 3.3Å; D25-Q29 WeakPolarHBondContact O-CG 3.18Å; D25-Q29 PolarHBondContact O-N 3.17Å; V26-Q29 PolarHBondContact O-N 3.33Å; V26-Q29 VanDerWaalsContact O-N 3.13Å; N27-Q29 VanDerWaalsContact C-N 3.3Å; N27-Q29 PolarHBondContact O-N 3.13Å; Q29-D31 VanDerWaalsContact C-N 3.26Å; Q29-D31 PolarHBondContact O-N 3.08Å; Q29-K32 PolarHBondContact O-N 2.83Å; Q29-M33 HydrophobicContact CB-CE 4.11Å; Q29-M33 WeakPolarHBondContact O-CB 3.32Å; Q29-M33 VanDerWaalsContact O-CE 3.32Å; Q29-M33 WeakPolarHBondContact O-CE 3.34Å; Q29-M33 WeakPolarHBondContact O-CG 3.43Å; Q29-M33 PolarHBondContact O-N 2.96Å
30L98.1Very high96.9Very high0 Ų065.8 Ų65.80%030%0.303CS..Hα-helixtrans-56.1-46.6172.6-74.4174.4000110.6Y9 V13 L16 V26 M33 G34 N115 L116Y9-L30 HydrophobicContact CE2-CD2 4.2Å; V13-L30 HydrophobicContact CG2-CD1 4.44Å; V13-L30 HydrophobicContact CG2-CD2 4.1Å; L16-L30 HydrophobicContact CD1-CD2 3.49Å; L16-L30 VanDerWaalsContact CD1-CD2 3.49Å; L16-L30 HydrophobicContact CD1-CG 3.82Å; V26-L30 HydrophobicContact CG1-CD1 4.05Å; V26-L30 HydrophobicContact CG1-CG 4.32Å; V26-L30 WeakPolarHBondContact O-CG 3.37Å; V26-L30 PolarHBondContact O-N 2.74Å; L30-M33 HydrophobicContact CD2-CE 4.33Å; L30-M33 PolarHBondContact O-N 2.95Å; L30-G34 PolarHBondContact O-N 3.1Å; L30-N115 HydrophobicContact CB-CB 4.07Å; L30-N115 HydrophobicContact CD1-CB 4.43Å; L30-L116 WeakPolarHBondContact O-CD1 3.5Å
31D98.2Very high97.1Very high35 Ų3564.3 Ų64.319%0.18730%0.3CS..Hα-helixtrans-59.7-47.9177.4-173.371.2000112.8N27 Q29 M33 G34 Y35 G119 R122N27-D31 WeakPolarHBondContact O-CB 3.31Å; N27-D31 PolarHBondContact O-N 3.17Å; Q29-D31 VanDerWaalsContact C-N 3.26Å; Q29-D31 PolarHBondContact O-N 3.08Å; D31-M33 PolarHBondContact O-N 2.97Å; D31-G34 PolarHBondContact O-N 2.88Å; D31-Y35 PolarHBondContact O-N 3.44Å; D31-G119 VanDerWaalsContact O-CA 3.22Å; D31-G119 WeakPolarHBondContact O-CA 3.45Å; D31-G119 PolarHBondContact OD1-N 3.3Å; D31-R122 IonicContact OD1-CZ 2.81Å; D31-R122 IonicContact OD1-NH1 2.71Å; D31-R122 PolarHBondContact OD1-NH1 2.91Å; D31-R122 IonicContact OD1-NH2 2.81Å; D31-R122 PolarHBondContact OD1-NH2 2.92Å; D31-R122 IonicContact OD2-CZ 3.43Å; D31-R122 IonicContact OD2-NH1 3.07Å; D31-R122 IonicContact OD2-NH2 3.2Å; D31-R122 PolarHBondContact OD2-NH2 3.16Å
32K98.3Very high97.4Very high122 Ų12255.5 Ų55.553%0.5326%0.26SS..Hα-helixtrans-62.9-42.1176.7-177.5179.8180-178.10112.7K28 Q29 G34 Y35 N36K28-K32 VanDerWaalsContact O-CB 3.29Å; K28-K32 WeakPolarHBondContact O-CB 3.3Å; K28-K32 PolarHBondContact O-N 3Å; Q29-K32 PolarHBondContact O-N 2.83Å; K32-G34 VanDerWaalsContact C-N 3.34Å; K32-Y35 PolarHBondContact O-N 2.87Å; K32-N36 PolarHBondContact O-N 2.9Å; K32-N36 PolarHBondContact O-ND2 3.47Å; K32-N36 VanDerWaalsContact O-ND2 3.08Å
33M98.2Very high97.4Very high52 Ų5259.5 Ų59.526%0.25628%0.276SS..Hα-helixtrans-62.4-45174.9-78.3-175.3-82.800110.8L12 L16 Q29 L30 D31 Y35 N36 I37 L116L12-M33 HydrophobicContact CD1-SD 4.27Å; L12-M33 HydrophobicContact CD2-SD 4.41Å; L16-M33 HydrophobicContact CD1-CE 3.43Å; L16-M33 VanDerWaalsContact CD1-CE 3.43Å; L16-M33 HydrophobicContact CD2-CE 3.86Å; L16-M33 HydrophobicContact CG-CE 4.2Å; Q29-M33 HydrophobicContact CB-CE 4.11Å; Q29-M33 WeakPolarHBondContact O-CB 3.32Å; Q29-M33 VanDerWaalsContact O-CE 3.32Å; Q29-M33 WeakPolarHBondContact O-CE 3.34Å; Q29-M33 WeakPolarHBondContact O-CG 3.43Å; Q29-M33 PolarHBondContact O-N 2.96Å; L30-M33 HydrophobicContact CD2-CE 4.33Å; L30-M33 PolarHBondContact O-N 2.95Å; D31-M33 PolarHBondContact O-N 2.97Å; M33-Y35 VanDerWaalsContact C-N 3.32Å; M33-Y35 PolarHBondContact O-N 2.83Å; M33-N36 PolarHBondContact O-N 3.3Å; M33-I37 WeakPolarHBondContact O-CG1 3.38Å; M33-I37 PolarHBondContact O-N 3.19Å; M33-L116 HydrophobicContact CB-CD1 3.9Å
34G98.4Very high97.4Very high0 Ų061.7 Ų61.70%029%0.288CS..Hα-helixtrans-58.2-45.6176.400000111.5L30 D31 K32 N36 I37 G38 L116 G119 V120L30-G34 PolarHBondContact O-N 3.1Å; D31-G34 PolarHBondContact O-N 2.88Å; K32-G34 VanDerWaalsContact C-N 3.34Å; G34-N36 PolarHBondContact O-N 3.36Å; G34-I37 CarbonylContact O-C 3.6Å; G34-I37 WeakPolarHBondContact O-CB 3.41Å; G34-I37 PolarHBondContact O-N 3.17Å; G34-I37 VanDerWaalsContact O-N 3.14Å; G34-G38 PolarHBondContact O-N 2.55Å; G34-L116 WeakPolarHBondContact CA-O 3.4Å; G34-G119 CarbonylContact O-C 3.42Å; G34-V120 WeakPolarHBondContact O-CA 3.46Å; G34-V120 WeakPolarHBondContact O-CG2 3.5Å; G34-V120 PolarHBondContact O-N 2.68Å
35Y98.7Very high97.4Very high58 Ų5856.9 Ų56.923%0.22727%0.266CS..Hα-helixtrans-55.1-51.1177.3178.6-89.7000112.3D31 K32 M33 I37 G38 V39 G119 R122 G123 E126D31-Y35 PolarHBondContact O-N 3.44Å; K32-Y35 PolarHBondContact O-N 2.87Å; M33-Y35 VanDerWaalsContact C-N 3.32Å; M33-Y35 PolarHBondContact O-N 2.83Å; Y35-I37 VanDerWaalsContact C-N 3.27Å; Y35-I37 PolarHBondContact O-N 2.92Å; Y35-G38 PolarHBondContact O-N 3.31Å; Y35-G38 VanDerWaalsContact O-N 3.12Å; Y35-V39 HydrophobicContact CD1-CG2 4.22Å; Y35-V39 HydrophobicContact CE1-CG2 3.72Å; Y35-V39 HydrophobicContact CE2-CG2 4.42Å; Y35-V39 WeakPolarHBondContact O-CG2 3.28Å; Y35-V39 PolarHBondContact O-N 2.97Å; Y35-G119 WeakPolarHBondContact CA-O 3.43Å; Y35-G119 PolarHBondContact N-O 2.91Å; Y35-R122 HydrophobicContact CD2-CB 4.41Å; Y35-G123 VanDerWaalsContact CD2-CA 3.41Å; Y35-G123 VanDerWaalsContact CE2-CA 3.5Å; Y35-E126 PolarHBondContact OH-OE1 3.12Å; Y35-E126 PolarHBondContact OH-OE2 2.78Å
36N98.3Very high97.3Very high87 Ų8758.1 Ų58.147%0.46527%0.272SS..Hα-helixtrans-63.5-33.5179-66.9-42.1000112.8K32 M33 G34K32-N36 PolarHBondContact O-N 2.9Å; K32-N36 PolarHBondContact O-ND2 3.47Å; K32-N36 VanDerWaalsContact O-ND2 3.08Å; M33-N36 PolarHBondContact O-N 3.3Å; G34-N36 PolarHBondContact O-N 3.36Å
37I98.1Very high97.1Very high78 Ų7861.8 Ų61.840%0.430%0.302SS..Hα-helixtrans-67.1-48.6172.6-68.2166.7000109.8M33 G34 Y35 V39 R40 L41 L116 V120M33-I37 WeakPolarHBondContact O-CG1 3.38Å; M33-I37 PolarHBondContact O-N 3.19Å; G34-I37 CarbonylContact O-C 3.6Å; G34-I37 WeakPolarHBondContact O-CB 3.41Å; G34-I37 PolarHBondContact O-N 3.17Å; G34-I37 VanDerWaalsContact O-N 3.14Å; Y35-I37 VanDerWaalsContact C-N 3.27Å; Y35-I37 PolarHBondContact O-N 2.92Å; I37-V39 VanDerWaalsContact C-N 3.34Å; I37-V39 PolarHBondContact O-N 2.74Å; I37-R40 PolarHBondContact O-N 2.83Å; I37-L41 VanDerWaalsContact O-CB 3.26Å; I37-L41 WeakPolarHBondContact O-CB 3.45Å; I37-L41 PolarHBondContact O-N 2.84Å; I37-L116 HydrophobicContact CD1-CD1 4.13Å; I37-V120 HydrophobicContact CB-CG2 4.17Å; I37-V120 HydrophobicContact CG2-CG2 4.03Å
38G98.2Very high97Very high0 Ų068.2 Ų68.20%033%0.325CS..Hα-helixtrans-57.3-43.6-17900000113.1G34 Y35 R40 L41 I42 V120 A124G34-G38 PolarHBondContact O-N 2.55Å; Y35-G38 PolarHBondContact O-N 3.31Å; Y35-G38 VanDerWaalsContact O-N 3.12Å; G38-R40 PolarHBondContact O-N 3.18Å; G38-L41 PolarHBondContact O-N 3.02Å; G38-I42 PolarHBondContact O-N 3.17Å; G38-I42 VanDerWaalsContact O-N 3.14Å; G38-V120 WeakPolarHBondContact CA-O 3.38Å; G38-A124 WeakPolarHBondContact O-CA 3.37Å
39V97.7Very high96.6Very high37 Ų3763.4 Ų63.422%0.22431%0.307CS..Hα-helixtrans-56.6-33.9175.9166.60000112.4Y35 I37 I42 M127Y35-V39 HydrophobicContact CD1-CG2 4.22Å; Y35-V39 HydrophobicContact CE1-CG2 3.72Å; Y35-V39 HydrophobicContact CE2-CG2 4.42Å; Y35-V39 WeakPolarHBondContact O-CG2 3.28Å; Y35-V39 PolarHBondContact O-N 2.97Å; I37-V39 VanDerWaalsContact C-N 3.34Å; I37-V39 PolarHBondContact O-N 2.74Å; V39-I42 VanDerWaalsContact O-CG2 3.28Å; V39-I42 WeakPolarHBondContact O-CG2 3.43Å; V39-M127 HydrophobicContact CB-CG 4.21Å; V39-M127 HydrophobicContact CB-SD 4.47Å; V39-M127 HydrophobicContact CG1-CE 4.4Å; V39-M127 HydrophobicContact CG1-CG 4.1Å; V39-M127 HydrophobicContact CG1-SD 3.82Å; V39-M127 HydrophobicContact CG2-CG 4.13Å; V39-M127 HydrophobicContact CG2-SD 4.29Å
40R97Very high96.1Very high204 Ų20468.3 Ų68.377%0.7734%0.335SS*.Hα-helixtrans-89.2-36.4177.8-69.7177.6144.9-171.7-6.3112.8I37 G38 I42 E43I37-R40 PolarHBondContact O-N 2.83Å; G38-R40 PolarHBondContact O-N 3.18Å; R40-I42 VanDerWaalsContact C-N 3.29Å; R40-I42 PolarHBondContact O-N 3.1Å; R40-E43 PolarHBondContact O-N 2.85Å
41L96.7Very high95.7Very high45 Ų4569.8 Ų69.824%0.23634%0.344CS..Hα-helixtrans-66.4-33.3-174.6-170.967.1000111.9I37 G38 E43 D44 F45 Y72 V120I37-L41 VanDerWaalsContact O-CB 3.26Å; I37-L41 WeakPolarHBondContact O-CB 3.45Å; I37-L41 PolarHBondContact O-N 2.84Å; G38-L41 PolarHBondContact O-N 3.02Å; L41-E43 VanDerWaalsContact C-N 3.26Å; L41-E43 PolarHBondContact O-N 2.79Å; L41-D44 PolarHBondContact O-N 3.17Å; L41-F45 PolarHBondContact O-N 2.92Å; L41-Y72 HydrophobicContact CD1-CD1 4.02Å; L41-Y72 HydrophobicContact CD1-CE1 3.51Å; L41-Y72 HydrophobicContact CD1-CE2 4.18Å; L41-Y72 HydrophobicContact CD2-CD2 4.06Å; L41-Y72 HydrophobicContact CD2-CE2 4.01Å; L41-Y72 HydrophobicContact CD2-CG 4.35Å; L41-Y72 HydrophobicContact CG-CD2 4.47Å; L41-Y72 HydrophobicContact CG-CE1 4.2Å; L41-Y72 HydrophobicContact CG-CE2 3.95Å; L41-V120 HydrophobicContact CD2-CG1 3.89Å
42I96.3Very high95.1Very high16 Ų1670.8 Ų70.88%0.08236%0.362CS..Hα-helixtrans-59.2-34.3-179.4-171.858.6000113.2G38 V39 R40 F45 L46 A124 M127 V128G38-I42 PolarHBondContact O-N 3.17Å; G38-I42 VanDerWaalsContact O-N 3.14Å; V39-I42 VanDerWaalsContact O-CG2 3.28Å; V39-I42 WeakPolarHBondContact O-CG2 3.43Å; R40-I42 VanDerWaalsContact C-N 3.29Å; R40-I42 PolarHBondContact O-N 3.1Å; I42-F45 HydrophobicContact CD1-CD1 4.1Å; I42-F45 PolarHBondContact O-N 3.07Å; I42-L46 HydrophobicContact CD1-CD1 4.38Å; I42-L46 HydrophobicContact CD1-CG 4.18Å; I42-L46 HydrophobicContact CG1-CD1 4.13Å; I42-L46 HydrophobicContact CG1-CG 4.36Å; I42-L46 VanDerWaalsContact O-CG 3.3Å; I42-L46 WeakPolarHBondContact O-CG 3.46Å; I42-L46 PolarHBondContact O-N 3.43Å; I42-A124 HydrophobicContact CB-CB 4.16Å; I42-A124 HydrophobicContact CD1-CB 4.38Å; I42-M127 HydrophobicContact CG1-CB 4.43Å; I42-M127 HydrophobicContact CG2-CB 3.66Å; I42-M127 HydrophobicContact CG2-CG 3.88Å; I42-V128 HydrophobicContact CD1-CG1 4.1Å; I42-V128 HydrophobicContact CG1-CG1 4Å
43E93.5Very high94.6Very high137 Ų13773 Ų7364%0.6437%0.367SS*.Hα-helixtrans-65.6-45.9177-65.4-176.8169.900111.4R40 L41 F45 L46 A47R40-E43 PolarHBondContact O-N 2.85Å; L41-E43 VanDerWaalsContact C-N 3.26Å; L41-E43 PolarHBondContact O-N 2.79Å; E43-F45 VanDerWaalsContact C-N 3.31Å; E43-F45 PolarHBondContact O-N 2.79Å; E43-L46 PolarHBondContact O-N 3.11Å; E43-A47 WeakPolarHBondContact O-CB 3.48Å; E43-A47 PolarHBondContact O-N 2.94Å
44D95.6Very high94.2Very high63 Ų6371.5 Ų71.534%0.33736%0.362SS..Hα-helixtrans-60.9-42.5173.6176.974.9000111.1L41 A47 R48 Y72L41-D44 PolarHBondContact O-N 3.17Å; D44-A47 PolarHBondContact O-N 3.02Å; D44-R48 WeakPolarHBondContact O-CB 3.2Å; D44-R48 WeakPolarHBondContact O-CG 3.4Å; D44-R48 PolarHBondContact O-N 2.84Å; D44-R48 VanDerWaalsContact O-N 3.14Å; D44-R48 WeakPolarHBondContact OD1-CD 3.37Å; D44-R48 IonicContact OD1-NH1 3.8Å; D44-R48 IonicContact OD2-NH1 3.28Å; D44-R48 PolarHBondContact OD2-NH1 3.08Å; D44-Y72 WeakPolarHBondContact OD2-CE1 3.44Å; D44-Y72 PolarHBondContact OD2-OH 3.26Å
45F96.6Very high93.7Very high14 Ų1478.6 Ų78.66%0.06139%0.394CS..Hα-helixtrans-60.6-50179.6177.8-103.9000111.5L41 I42 E43 A47 R48 S49 V51 V63 I67 A68 M71 Y72L41-F45 PolarHBondContact O-N 2.92Å; I42-F45 HydrophobicContact CD1-CD1 4.1Å; I42-F45 PolarHBondContact O-N 3.07Å; E43-F45 VanDerWaalsContact C-N 3.31Å; E43-F45 PolarHBondContact O-N 2.79Å; F45-A47 VanDerWaalsContact C-N 3.32Å; F45-A47 PolarHBondContact O-N 2.53Å; F45-R48 PolarHBondContact O-N 3.43Å; F45-S49 WeakPolarHBondContact O-CB 3.47Å; F45-S49 PolarHBondContact O-N 2.86Å; F45-S49 PolarHBondContact O-OG 2.64Å; F45-V51 HydrophobicContact CZ-CG2 4.33Å; F45-V63 HydrophobicContact CE1-CG1 3.86Å; F45-V63 HydrophobicContact CZ-CG1 3.62Å; F45-I67 HydrophobicContact CE2-CB 4.3Å; F45-I67 HydrophobicContact CE2-CG2 3.8Å; F45-I67 HydrophobicContact CZ-CB 4.28Å; F45-I67 HydrophobicContact CZ-CG2 4.02Å; F45-A68 HydrophobicContact CD2-CB 4.18Å; F45-A68 HydrophobicContact CE2-CB 3.69Å; F45-A68 HydrophobicContact CZ-CB 4.13Å; F45-M71 HydrophobicContact CD2-SD 4.17Å; F45-Y72 WeakPolarHBondContact CA-OH 3.43Å; F45-Y72 HydrophobicContact CB-CE2 4.09Å; F45-Y72 WeakPolarHBondContact CB-OH 3.23Å; F45-Y72 AromaticContact CD2-CE2 3.82Å; F45-Y72 HydrophobicContact CD2-CE2 3.82Å; F45-Y72 HydrophobicContact CG-CE2 4.37Å; F45-Y72 PolarHBondContact N-OH 3Å; F45-Y72 VanDerWaalsContact N-OH 3.1Å
46L94.4Very high93.3Very high78 Ų7879.7 Ų79.741%0.40840%0.404SS..Hα-helixtrans-65.2-36.6180-68.3174.9000111.7I42 E43 R48 V128I42-L46 HydrophobicContact CD1-CD1 4.38Å; I42-L46 HydrophobicContact CD1-CG 4.18Å; I42-L46 HydrophobicContact CG1-CD1 4.13Å; I42-L46 HydrophobicContact CG1-CG 4.36Å; I42-L46 VanDerWaalsContact O-CG 3.3Å; I42-L46 WeakPolarHBondContact O-CG 3.46Å; I42-L46 PolarHBondContact O-N 3.43Å; E43-L46 PolarHBondContact O-N 3.11Å; L46-R48 VanDerWaalsContact C-N 3.28Å; L46-R48 PolarHBondContact O-N 3.37Å; L46-V128 HydrophobicContact CD1-CG1 4.32Å
47A94.3Very high93.1Very high78 Ų7876.3 Ų76.365%0.64539%0.386SS*.Hα-helixtrans-67-26.317800000113.6E43 D44 F45E43-A47 WeakPolarHBondContact O-CB 3.48Å; E43-A47 PolarHBondContact O-N 2.94Å; D44-A47 PolarHBondContact O-N 3.02Å; F45-A47 VanDerWaalsContact C-N 3.32Å; F45-A47 PolarHBondContact O-N 2.53Å
48R94.3Very high93Very high153 Ų15378.1 Ų78.158%0.57739%0.387SS*.Hα-helixtrans-112.4-19.9-171.1-64.617664.6-154.5-2114.8D44 F45 L46 M71D44-R48 WeakPolarHBondContact O-CB 3.2Å; D44-R48 WeakPolarHBondContact O-CG 3.4Å; D44-R48 PolarHBondContact O-N 2.84Å; D44-R48 VanDerWaalsContact O-N 3.14Å; D44-R48 WeakPolarHBondContact OD1-CD 3.37Å; D44-R48 IonicContact OD1-NH1 3.8Å; D44-R48 IonicContact OD2-NH1 3.28Å; D44-R48 PolarHBondContact OD2-NH1 3.08Å; F45-R48 PolarHBondContact O-N 3.43Å; L46-R48 VanDerWaalsContact C-N 3.28Å; L46-R48 PolarHBondContact O-N 3.37Å; R48-M71 HydrophobicContact CB-CE 4.39Å; R48-M71 HydrophobicContact CB-SD 4.44Å
49S90.3Very high92.9Very high20 Ų2081.5 Ų81.514%0.1440%0.403CS..Hα-helixtrans-89.9-15-173.963.40000114.3F45 V51F45-S49 WeakPolarHBondContact O-CB 3.47Å; F45-S49 PolarHBondContact O-N 2.86Å; F45-S49 PolarHBondContact O-OG 2.64Å; S49-V51 PolarHBondContact O-N 2.59Å; S49-V51 VanDerWaalsContact O-N 3.12Å; S49-V51 WeakPolarHBondContact OG-CB 3.45Å; S49-V51 WeakPolarHBondContact OG-CG2 3.5Å; S49-V51 PolarHBondContact OG-N 2.7Å
50N87Confident92.8Very high157 Ų15780 Ų8084%0.8439%0.394SS*.  trans52.523.6-169.2-67.4-27.9000113.4
51V89.7Confident92.8Very high31 Ų3170.2 Ų70.219%0.18836%0.357CS..  trans-79.4128.1178.8171.40000109.2F45 S49 V63 I67F45-V51 HydrophobicContact CZ-CG2 4.33Å; S49-V51 PolarHBondContact O-N 2.59Å; S49-V51 VanDerWaalsContact O-N 3.12Å; S49-V51 WeakPolarHBondContact OG-CB 3.45Å; S49-V51 WeakPolarHBondContact OG-CG2 3.5Å; S49-V51 PolarHBondContact OG-N 2.7Å; V51-V63 HydrophobicContact CG1-CG1 3.98Å; V51-V63 HydrophobicContact CG1-CG2 4.01Å; V51-V63 HydrophobicContact CG2-CG1 4.27Å; V51-I67 HydrophobicContact CG2-CD1 3.58Å
52G86.1Confident92.9Very high56 Ų5671.2 Ų71.258%0.57736%0.363SS*.  trans-76.8-178.6171.300000112.4C54G52-C54 PolarHBondContact O-N 3.44Å
53R86.4Confident92.9Very high169 Ų16971.4 Ų71.464%0.63836%0.364SS*.  trans-65.9122174.9-170.7179.6-168.8-176.45.9110
54C89.8Confident93.1Very high21 Ų2165.5 Ų65.514%0.14234%0.337CS..  trans-66.7138.4174.9-530000111G52 E59 T60G52-C54 PolarHBondContact O-N 3.44Å; C54-E59 WeakPolarHBondContact CA-OE2 3.33Å; C54-E59 HydrophobicContact CB-CB 4.34Å; C54-E59 HydrophobicContact CB-CG 4.19Å; C54-T60 WeakPolarHBondContact CB-OG1 3.29Å
55H88.1Confident93.2Very high148 Ų14862.5 Ų62.569%0.68532%0.321SS*.SBendtrans-85.9-36.7-176.9-65.9-69.5000112.5E59 R156H55-E59 IonicContact CD2-OE2 3.46Å; H55-E59 PolarHBondContact CD2-OE2 3.45Å; H55-E59 IonicContact CG-OE2 3.85Å; H55-E59 PolarHBondContact N-OE2 2.89Å; H55-R156 PolarHBondContact O-NH2 3.33Å
56D91.3Very high93.2Very high81 Ų8167.8 Ų67.843%0.43334%0.344SS..SBendtrans-138.6174.2-179.46838.9000112.8R58 E59 T60D56-R58 VanDerWaalsContact C-N 3.25Å; D56-R58 PolarHBondContact O-N 3.36Å; D56-R58 WeakPolarHBondContact OD1-CA 3.39Å; D56-R58 WeakPolarHBondContact OD1-CB 3.27Å; D56-R58 PolarHBondContact OD1-N 3Å; D56-E59 PolarHBondContact OD1-N 3.41Å; D56-T60 PolarHBondContact O-N 3.01Å; D56-T60 VanDerWaalsContact O-N 3.12Å; D56-T60 PolarHBondContact O-OG1 3.4Å
57F94.4Very high93.3Very high17 Ų1766.9 Ų66.98%0.07534%0.339CS..Hα-helixtrans-72.2-20.4-177.3-160.9-136000112.6T60 A61 W82 D87 F89 V132 M151 F153F57-T60 HydrophobicContact CD2-CG2 4.31Å; F57-A61 WeakPolarHBondContact O-CB 3.14Å; F57-A61 PolarHBondContact O-N 2.87Å; F57-W82 HydrophobicContact CD1-CH2 4.25Å; F57-W82 HydrophobicContact CD1-CZ3 4.03Å; F57-D87 WeakPolarHBondContact CE1-O 3.34Å; F57-F89 AromaticContact CD1-CD1 3.78Å; F57-F89 HydrophobicContact CD1-CD1 3.78Å; F57-F89 AromaticContact CD1-CE1 3.79Å; F57-F89 HydrophobicContact CD1-CE1 3.79Å; F57-F89 HydrophobicContact CD2-CE1 4.28Å; F57-F89 AromaticContact CE1-CD1 3.41Å; F57-F89 HydrophobicContact CE1-CD1 3.41Å; F57-F89 VanDerWaalsContact CE1-CD1 3.41Å; F57-F89 AromaticContact CE1-CE1 3.31Å; F57-F89 HydrophobicContact CE1-CE1 3.31Å; F57-F89 AromaticContact CE2-CE1 3.85Å; F57-F89 HydrophobicContact CE2-CE1 3.85Å; F57-F89 HydrophobicContact CG-CE1 4.25Å; F57-F89 AromaticContact CZ-CD1 3.95Å; F57-F89 HydrophobicContact CZ-CD1 3.95Å; F57-F89 AromaticContact CZ-CE1 3.35Å; F57-F89 HydrophobicContact CZ-CE1 3.35Å; F57-F89 HydrophobicContact CZ-CZ 4.31Å; F57-V132 HydrophobicContact CE2-CG1 3.9Å; F57-V132 HydrophobicContact CZ-CG1 4.15Å; F57-M151 HydrophobicContact CZ-CB 4.15Å; F57-F153 HydrophobicContact CD1-CB 3.87Å; F57-F153 HydrophobicContact CD2-CB 4.32Å; F57-F153 HydrophobicContact CE1-CB 3.83Å; F57-F153 HydrophobicContact CE2-CB 4.3Å; F57-F153 HydrophobicContact CG-CB 4.12Å; F57-F153 HydrophobicContact CZ-CB 4.05Å
58R95.3Very high93.4Very high116 Ų11664.1 Ų64.144%0.43832%0.316SS..Hα-helixtrans-73.2-45.7176.5-64.3-177.3174.1-79.9-2.8110.9D56 T60 A61 D62 W82D56-R58 VanDerWaalsContact C-N 3.25Å; D56-R58 PolarHBondContact O-N 3.36Å; D56-R58 WeakPolarHBondContact OD1-CA 3.39Å; D56-R58 WeakPolarHBondContact OD1-CB 3.27Å; D56-R58 PolarHBondContact OD1-N 3Å; R58-T60 VanDerWaalsContact C-N 3.28Å; R58-T60 PolarHBondContact O-N 2.91Å; R58-A61 WeakPolarHBondContact O-CB 3.36Å; R58-A61 PolarHBondContact O-N 3.47Å; R58-D62 PolarHBondContact O-N 3.14Å; R58-W82 HydrophobicContact CB-CH2 4.1Å; R58-W82 HydrophobicContact CB-CZ2 4.14Å; R58-W82 HydrophobicContact CG-CE3 4.4Å; R58-W82 HydrophobicContact CG-CH2 3.62Å; R58-W82 HydrophobicContact CG-CZ2 3.82Å; R58-W82 HydrophobicContact CG-CZ3 3.92Å; R58-W82 VanDerWaalsContact NH1-CD2 3.34Å
59E95.4Very high93.5Very high71 Ų7157.3 Ų57.333%0.33229%0.291SS..Hα-helixtrans-60.6-42.3172.8-172.3-179.9-173.500110.6C54 H55 D56 A61 D62 V63C54-E59 WeakPolarHBondContact CA-OE2 3.33Å; C54-E59 HydrophobicContact CB-CB 4.34Å; C54-E59 HydrophobicContact CB-CG 4.19Å; H55-E59 IonicContact CD2-OE2 3.46Å; H55-E59 PolarHBondContact CD2-OE2 3.45Å; H55-E59 IonicContact CG-OE2 3.85Å; H55-E59 PolarHBondContact N-OE2 2.89Å; D56-E59 PolarHBondContact OD1-N 3.41Å; E59-A61 VanDerWaalsContact C-N 3.32Å; E59-A61 PolarHBondContact O-N 3.41Å; E59-D62 PolarHBondContact O-N 3.44Å; E59-V63 WeakPolarHBondContact O-CG2 3.26Å; E59-V63 PolarHBondContact O-N 3.14Å
60T96.4Very high93.7Very high4 Ų461.9 Ų61.93%0.02531%0.308CS..Hα-helixtrans-58.2-44.6174.5-55.40000111.5C54 D56 F57 R58 D62 V63 I64 L125 M130C54-T60 WeakPolarHBondContact CB-OG1 3.29Å; D56-T60 PolarHBondContact O-N 3.01Å; D56-T60 VanDerWaalsContact O-N 3.12Å; D56-T60 PolarHBondContact O-OG1 3.4Å; F57-T60 HydrophobicContact CD2-CG2 4.31Å; R58-T60 VanDerWaalsContact C-N 3.28Å; R58-T60 PolarHBondContact O-N 2.91Å; T60-D62 PolarHBondContact O-N 2.85Å; T60-V63 PolarHBondContact O-N 3.2Å; T60-I64 HydrophobicContact CG2-CD1 3.89Å; T60-I64 WeakPolarHBondContact O-CD1 3.46Å; T60-I64 VanDerWaalsContact O-CG1 3.23Å; T60-I64 WeakPolarHBondContact O-CG1 3.31Å; T60-I64 PolarHBondContact O-N 2.96Å; T60-L125 HydrophobicContact CG2-CD2 3.54Å; T60-M130 HydrophobicContact CG2-CE 3.73Å; T60-M130 HydrophobicContact CG2-SD 4.16Å
61A97.8Very high94.1Very high0 Ų057.5 Ų57.50%028%0.283CS..Hα-helixtrans-60.2-45.6176.800000112F57 R58 E59 I64 A65 I79 W82 F89F57-A61 WeakPolarHBondContact O-CB 3.14Å; F57-A61 PolarHBondContact O-N 2.87Å; R58-A61 WeakPolarHBondContact O-CB 3.36Å; R58-A61 PolarHBondContact O-N 3.47Å; E59-A61 VanDerWaalsContact C-N 3.32Å; E59-A61 PolarHBondContact O-N 3.41Å; A61-I64 PolarHBondContact O-N 2.93Å; A61-A65 WeakPolarHBondContact O-CB 3.39Å; A61-A65 PolarHBondContact O-N 3.29Å; A61-I79 VanDerWaalsContact C-CD1 3.45Å; A61-I79 HydrophobicContact CB-CD1 3.89Å; A61-I79 HydrophobicContact CB-CG2 4.28Å; A61-I79 WeakPolarHBondContact O-CD1 3.4Å; A61-W82 HydrophobicContact CB-CH2 3.95Å; A61-W82 HydrophobicContact CB-CZ2 3.65Å; A61-F89 HydrophobicContact CB-CD1 3.96Å; A61-F89 HydrophobicContact CB-CD2 4.01Å; A61-F89 HydrophobicContact CB-CE1 3.52Å; A61-F89 HydrophobicContact CB-CE2 3.59Å; A61-F89 HydrophobicContact CB-CG 4.18Å; A61-F89 HydrophobicContact CB-CZ 3.34Å
62D97.1Very high94.3Very high66 Ų6659.5 Ų59.535%0.35329%0.288SS..Hα-helixtrans-61.7-44.6178.1-89.9-37.2000112.1R58 E59 T60 A65 K66R58-D62 PolarHBondContact O-N 3.14Å; E59-D62 PolarHBondContact O-N 3.44Å; T60-D62 PolarHBondContact O-N 2.85Å; D62-A65 PolarHBondContact O-N 3Å; D62-K66 HydrophobicContact CB-CD 4.47Å; D62-K66 VanDerWaalsContact O-CB 3.25Å; D62-K66 WeakPolarHBondContact O-CB 3.48Å; D62-K66 PolarHBondContact O-N 3.17Å; D62-K66 WeakPolarHBondContact OD1-CE 3.39Å; D62-K66 IonicContact OD1-NZ 2.64Å; D62-K66 PolarHBondContact OD1-NZ 3.37Å; D62-K66 IonicContact OD2-NZ 3.38Å
63V97.6Very high94.6Very high19 Ų1958.5 Ų58.512%0.11527%0.269CS..Hα-helixtrans-61.3-45.5176.6168.60000111F45 V51 E59 T60 I67 A68F45-V63 HydrophobicContact CE1-CG1 3.86Å; F45-V63 HydrophobicContact CZ-CG1 3.62Å; V51-V63 HydrophobicContact CG1-CG1 3.98Å; V51-V63 HydrophobicContact CG1-CG2 4.01Å; V51-V63 HydrophobicContact CG2-CG1 4.27Å; E59-V63 WeakPolarHBondContact O-CG2 3.26Å; E59-V63 PolarHBondContact O-N 3.14Å; T60-V63 PolarHBondContact O-N 3.2Å; V63-I67 HydrophobicContact CG1-CD1 4.48Å; V63-I67 HydrophobicContact CG2-CD1 4.41Å; V63-I67 WeakPolarHBondContact O-CA 3.3Å; V63-I67 VanDerWaalsContact O-CB 3.27Å; V63-I67 WeakPolarHBondContact O-CB 3.16Å; V63-I67 PolarHBondContact O-N 2.89Å; V63-A68 PolarHBondContact O-N 2.95Å
64I97.4Very high95Very high13 Ų1352.3 Ų52.37%0.06726%0.258CS..Iπ-helixtrans-59.7-55.1178-69.5165.5000110T60 A61 A68 F69 L91 L121 L125 M151T60-I64 HydrophobicContact CG2-CD1 3.89Å; T60-I64 WeakPolarHBondContact O-CD1 3.46Å; T60-I64 VanDerWaalsContact O-CG1 3.23Å; T60-I64 WeakPolarHBondContact O-CG1 3.31Å; T60-I64 PolarHBondContact O-N 2.96Å; A61-I64 PolarHBondContact O-N 2.93Å; I64-A68 WeakPolarHBondContact O-CB 3.3Å; I64-A68 PolarHBondContact O-N 2.82Å; I64-F69 HydrophobicContact CG2-CD2 3.7Å; I64-F69 HydrophobicContact CG2-CE2 3.64Å; I64-F69 WeakPolarHBondContact O-CD2 3.35Å; I64-F69 PolarHBondContact O-N 3.17Å; I64-L91 HydrophobicContact CG2-CD1 3.97Å; I64-L121 HydrophobicContact CD1-CD2 4.49Å; I64-L121 HydrophobicContact CG2-CD2 3.76Å; I64-L125 HydrophobicContact CD1-CD1 3.97Å; I64-L125 HydrophobicContact CD1-CD2 4.24Å; I64-M151 HydrophobicContact CD1-CE 4.11Å
65A97.3Very high95.2Very high1 Ų152.7 Ų52.71%0.00826%0.259CS..Iπ-helixtrans-69.1-46.5-172.600000113A61 D62 P77 I79 L91A61-A65 WeakPolarHBondContact O-CB 3.39Å; A61-A65 PolarHBondContact O-N 3.29Å; D62-A65 PolarHBondContact O-N 3Å; A65-P77 WeakPolarHBondContact O-CD 3.29Å; A65-I79 HydrophobicContact CB-CD1 3.77Å; A65-I79 HydrophobicContact CB-CG1 3.74Å; A65-L91 HydrophobicContact CB-CD2 3.97Å
66K96.5Very high95.6Very high125 Ų12549.4 Ų49.454%0.54325%0.249SC..Iπ-helixtrans-87.6-27.7-170.9-64.5169.1175.3158.50113.2D62 K70 T76D62-K66 HydrophobicContact CB-CD 4.47Å; D62-K66 VanDerWaalsContact O-CB 3.25Å; D62-K66 WeakPolarHBondContact O-CB 3.48Å; D62-K66 PolarHBondContact O-N 3.17Å; D62-K66 WeakPolarHBondContact OD1-CE 3.39Å; D62-K66 IonicContact OD1-NZ 2.64Å; D62-K66 PolarHBondContact OD1-NZ 3.37Å; D62-K66 IonicContact OD2-NZ 3.38Å; K66-K70 WeakPolarHBondContact O-CB 3.32Å; K66-T76 HydrophobicContact CG-CG2 4.45Å
67I96.8Very high95.9Very high58 Ų5845.9 Ų45.930%0.29723%0.231SC..Iπ-helixtrans-111.6-59.2-174.6-47.9179.8000110.7F45 V51 V63 K70 M71F45-I67 HydrophobicContact CE2-CB 4.3Å; F45-I67 HydrophobicContact CE2-CG2 3.8Å; F45-I67 HydrophobicContact CZ-CB 4.28Å; F45-I67 HydrophobicContact CZ-CG2 4.02Å; V51-I67 HydrophobicContact CG2-CD1 3.58Å; V63-I67 HydrophobicContact CG1-CD1 4.48Å; V63-I67 HydrophobicContact CG2-CD1 4.41Å; V63-I67 WeakPolarHBondContact O-CA 3.3Å; V63-I67 VanDerWaalsContact O-CB 3.27Å; V63-I67 WeakPolarHBondContact O-CB 3.16Å; V63-I67 PolarHBondContact O-N 2.89Å; I67-K70 PolarHBondContact O-N 3.02Å; I67-M71 HydrophobicContact CG2-CE 4.4Å; I67-M71 VanDerWaalsContact O-CB 3.24Å; I67-M71 WeakPolarHBondContact O-CB 3.37Å; I67-M71 PolarHBondContact O-N 3.3Å
68A96.8Very high96.1Very high20 Ų2047.6 Ų47.617%0.16525%0.245CC..Iπ-helixtrans-66.2-52.3-171.600000112.6F45 V63 I64 K70 M71 Y72F45-A68 HydrophobicContact CD2-CB 4.18Å; F45-A68 HydrophobicContact CE2-CB 3.69Å; F45-A68 HydrophobicContact CZ-CB 4.13Å; V63-A68 PolarHBondContact O-N 2.95Å; I64-A68 WeakPolarHBondContact O-CB 3.3Å; I64-A68 PolarHBondContact O-N 2.82Å; A68-K70 PolarHBondContact O-N 3.34Å; A68-M71 PolarHBondContact O-N 2.84Å; A68-Y72 WeakPolarHBondContact O-CD2 3.46Å; A68-Y72 PolarHBondContact O-N 3.3Å
69F96.6Very high96.2Very high10 Ų1044.1 Ų44.14%0.04424%0.235CC..Hα-helixtrans-60.7-37176.5-90.8-92.1000111.9I64 L73 G74 I75 P77 L91 L93 L121I64-F69 HydrophobicContact CG2-CD2 3.7Å; I64-F69 HydrophobicContact CG2-CE2 3.64Å; I64-F69 WeakPolarHBondContact O-CD2 3.35Å; I64-F69 PolarHBondContact O-N 3.17Å; F69-L73 HydrophobicContact CD1-CD1 3.76Å; F69-L73 HydrophobicContact CE1-CD1 3.8Å; F69-L73 CarbonylContact O-C 3.43Å; F69-L73 WeakPolarHBondContact O-CA 3.17Å; F69-L73 WeakPolarHBondContact O-CB 3.47Å; F69-L73 PolarHBondContact O-N 2.87Å; F69-G74 PolarHBondContact O-N 3.33Å; F69-I75 CarbonylContact C-O 3.59Å; F69-I75 HydrophobicContact CB-CG1 4.31Å; F69-I75 WeakPolarHBondContact CB-O 3.27Å; F69-I75 HydrophobicContact CD1-CD1 3.85Å; F69-I75 HydrophobicContact CD1-CG1 3.86Å; F69-I75 HydrophobicContact CE1-CD1 4.35Å; F69-I75 PolarHBondContact O-N 3.42Å; F69-P77 VanDerWaalsContact CB-CD 3.48Å; F69-P77 HydrophobicContact CB-CG 3.95Å; F69-P77 HydrophobicContact CD1-CG 3.63Å; F69-P77 HydrophobicContact CD2-CG 3.97Å; F69-P77 HydrophobicContact CE1-CG 4.06Å; F69-P77 HydrophobicContact CE2-CG 4.37Å; F69-P77 HydrophobicContact CG-CG 3.57Å; F69-P77 HydrophobicContact CZ-CG 4.41Å; F69-L91 HydrophobicContact CE2-CD1 3.92Å; F69-L91 HydrophobicContact CZ-CD1 4.41Å; F69-L93 HydrophobicContact CE1-CD2 4.07Å; F69-L93 HydrophobicContact CE1-CG 4.49Å; F69-L121 HydrophobicContact CE2-CD1 4.48Å; F69-L121 HydrophobicContact CE2-CD2 4.16Å; F69-L121 HydrophobicContact CZ-CD1 4.44Å
70K94.7Very high96.3Very high117 Ų11743.1 Ų43.151%0.50923%0.233SC..Hα-helixtrans-67.4-40.8178.2-172.264.2-175.5177.70111.8K66 I67 A68 G74 I75K66-K70 WeakPolarHBondContact O-CB 3.32Å; I67-K70 PolarHBondContact O-N 3.02Å; A68-K70 PolarHBondContact O-N 3.34Å; K70-G74 PolarHBondContact NZ-O 3.23Å; K70-G74 VanDerWaalsContact O-CA 3.28Å; K70-G74 WeakPolarHBondContact O-CA 3.37Å; K70-G74 PolarHBondContact O-N 2.94Å; K70-I75 WeakPolarHBondContact CA-O 3.39Å; K70-I75 PolarHBondContact N-O 2.97Å
71M94.4Very high96.3Very high64 Ų6447.4 Ų47.432%0.31526%0.256SS..Hα-helixtrans-68.8-43.9-179.1-175.7178.7-66.200112.4F45 R48 I67 A68F45-M71 HydrophobicContact CD2-SD 4.17Å; R48-M71 HydrophobicContact CB-CE 4.39Å; R48-M71 HydrophobicContact CB-SD 4.44Å; I67-M71 HydrophobicContact CG2-CE 4.4Å; I67-M71 VanDerWaalsContact O-CB 3.24Å; I67-M71 WeakPolarHBondContact O-CB 3.37Å; I67-M71 PolarHBondContact O-N 3.3Å; A68-M71 PolarHBondContact O-N 2.84Å
72Y94.2Very high96.3Very high73 Ų7350.7 Ų50.729%0.28627%0.269SS..Hα-helixtrans-98.2-31.5-171.2-66-60.7000114.6L41 D44 F45 A68L41-Y72 HydrophobicContact CD1-CD1 4.02Å; L41-Y72 HydrophobicContact CD1-CE1 3.51Å; L41-Y72 HydrophobicContact CD1-CE2 4.18Å; L41-Y72 HydrophobicContact CD2-CD2 4.06Å; L41-Y72 HydrophobicContact CD2-CE2 4.01Å; L41-Y72 HydrophobicContact CD2-CG 4.35Å; L41-Y72 HydrophobicContact CG-CD2 4.47Å; L41-Y72 HydrophobicContact CG-CE1 4.2Å; L41-Y72 HydrophobicContact CG-CE2 3.95Å; D44-Y72 WeakPolarHBondContact OD2-CE1 3.44Å; D44-Y72 PolarHBondContact OD2-OH 3.26Å; F45-Y72 WeakPolarHBondContact CA-OH 3.43Å; F45-Y72 HydrophobicContact CB-CE2 4.09Å; F45-Y72 WeakPolarHBondContact CB-OH 3.23Å; F45-Y72 AromaticContact CD2-CE2 3.82Å; F45-Y72 HydrophobicContact CD2-CE2 3.82Å; F45-Y72 HydrophobicContact CG-CE2 4.37Å; F45-Y72 PolarHBondContact N-OH 3Å; F45-Y72 VanDerWaalsContact N-OH 3.1Å; A68-Y72 WeakPolarHBondContact O-CD2 3.46Å; A68-Y72 PolarHBondContact O-N 3.3Å
73L93.3Very high96.3Very high35 Ų3548.3 Ų48.318%0.18326%0.257CS..Hα-helixtrans-119-5.6-176.8-64.1176000113.1F5 F69 I75 P97 L117F5-L73 HydrophobicContact CE1-CD2 3.98Å; F69-L73 HydrophobicContact CD1-CD1 3.76Å; F69-L73 HydrophobicContact CE1-CD1 3.8Å; F69-L73 CarbonylContact O-C 3.43Å; F69-L73 WeakPolarHBondContact O-CA 3.17Å; F69-L73 WeakPolarHBondContact O-CB 3.47Å; F69-L73 PolarHBondContact O-N 2.87Å; L73-I75 HydrophobicContact CB-CG1 4.01Å; L73-I75 PolarHBondContact O-N 3.44Å; L73-P97 HydrophobicContact CB-CG 4.26Å; L73-P97 HydrophobicContact CD2-CG 4.46Å; L73-L117 HydrophobicContact CD1-CD2 3.87Å
74G93.6Very high96.1Very high40 Ų4054.3 Ų54.341%0.41230%0.296SS..SBendtrans75.30.5178.500000114.9F69 K70F69-G74 PolarHBondContact O-N 3.33Å; K70-G74 PolarHBondContact NZ-O 3.23Å; K70-G74 VanDerWaalsContact O-CA 3.28Å; K70-G74 WeakPolarHBondContact O-CA 3.37Å; K70-G74 PolarHBondContact O-N 2.94Å
75I94.5Very high95.9Very high28 Ų2856.8 Ų56.814%0.14433%0.325CS..  trans-107.3161.1-176.865.4171.8000111.9F69 K70 L73 P77 L93 N95 P97F69-I75 CarbonylContact C-O 3.59Å; F69-I75 HydrophobicContact CB-CG1 4.31Å; F69-I75 WeakPolarHBondContact CB-O 3.27Å; F69-I75 HydrophobicContact CD1-CD1 3.85Å; F69-I75 HydrophobicContact CD1-CG1 3.86Å; F69-I75 HydrophobicContact CE1-CD1 4.35Å; F69-I75 PolarHBondContact O-N 3.42Å; K70-I75 WeakPolarHBondContact CA-O 3.39Å; K70-I75 PolarHBondContact N-O 2.97Å; L73-I75 HydrophobicContact CB-CG1 4.01Å; L73-I75 PolarHBondContact O-N 3.44Å; I75-P77 HydrophobicContact CD1-CG 4.48Å; I75-L93 HydrophobicContact CD1-CD2 3.97Å; I75-L93 HydrophobicContact CD1-CG 4.1Å; I75-N95 WeakPolarHBondContact CD1-O 3.38Å; I75-P97 HydrophobicContact CG2-CG 4.41Å
76T97.1Very high95.7Very high79 Ų7957.6 Ų57.649%0.48533%0.333SS..  trans-128.296.8174.2-60.40000108.3K66K66-T76 HydrophobicContact CG-CG2 4.45Å
77P97.3Very high95.6Very high7 Ų754.3 Ų54.35%0.04532%0.322CS..PPolyproline II helixtrans-63150.6176.8-21.633.1000111.9A65 F69 I75 L91 I92 L93A65-P77 WeakPolarHBondContact O-CD 3.29Å; F69-P77 VanDerWaalsContact CB-CD 3.48Å; F69-P77 HydrophobicContact CB-CG 3.95Å; F69-P77 HydrophobicContact CD1-CG 3.63Å; F69-P77 HydrophobicContact CD2-CG 3.97Å; F69-P77 HydrophobicContact CE1-CG 4.06Å; F69-P77 HydrophobicContact CE2-CG 4.37Å; F69-P77 HydrophobicContact CG-CG 3.57Å; F69-P77 HydrophobicContact CZ-CG 4.41Å; I75-P77 HydrophobicContact CD1-CG 4.48Å; P77-L91 HydrophobicContact CB-CB 4.25Å; P77-L91 HydrophobicContact CB-CD2 4.23Å; P77-I92 CarbonylContact C-O 3.23Å; P77-I92 VanDerWaalsContact CA-O 3.23Å; P77-I92 WeakPolarHBondContact CA-O 3.5Å; P77-I92 WeakPolarHBondContact CB-O 3.3Å; P77-L93 HydrophobicContact CB-CD1 4.12Å; P77-L93 HydrophobicContact CB-CG 4.4Å; P77-L93 HydrophobicContact CG-CD1 4.15Å; P77-L93 HydrophobicContact CG-CG 4.15Å
78S97.6Very high95.7Very high53 Ų5353.4 Ų53.437%0.37132%0.316SS..EExtended strand (participates in β ladder)trans-86134.6172.4-70.60000110.4I92S78-I92 PolarHBondContact N-O 3.39Å; S78-I92 PolarHBondContact O-N 2.81Å
79I98.1Very high95.7Very high44 Ų4452.5 Ų52.523%0.22631%0.309CS..EExtended strand (participates in β ladder)trans-92.8122.5177-56.5162.8000109A61 A65 W82 F89 S90 L91A61-I79 VanDerWaalsContact C-CD1 3.45Å; A61-I79 HydrophobicContact CB-CD1 3.89Å; A61-I79 HydrophobicContact CB-CG2 4.28Å; A61-I79 WeakPolarHBondContact O-CD1 3.4Å; A65-I79 HydrophobicContact CB-CD1 3.77Å; A65-I79 HydrophobicContact CB-CG1 3.74Å; I79-W82 HydrophobicContact CG2-CZ2 4.07Å; I79-F89 HydrophobicContact CG2-CB 4.23Å; I79-F89 HydrophobicContact CG2-CD2 3.83Å; I79-F89 HydrophobicContact CG2-CG 4.26Å; I79-S90 WeakPolarHBondContact CA-O 3.32Å; I79-L91 HydrophobicContact CG1-CD2 4.03Å
80T97.5Very high95.8Very high49 Ų4952 Ų5230%0.30131%0.306SS..EExtended strand (participates in β ladder)trans-141.1-177.9-177.666.20000111.9W82 S90 I92T80-W82 VanDerWaalsContact C-N 3.32Å; T80-W82 PolarHBondContact O-N 3.03Å; T80-W82 VanDerWaalsContact O-N 3.17Å; T80-S90 PolarHBondContact N-O 3.43Å; T80-S90 PolarHBondContact O-N 3.08Å; T80-I92 HydrophobicContact CG2-CG1 4.12Å; T80-I92 WeakPolarHBondContact OG1-CG1 3.42Å
81N96.3Very high96Very high95 Ų9546.4 Ų46.451%0.50828%0.282SS..  trans54.338.9168.9-60.6-18.9000115.1S83 E148 R150N81-S83 PolarHBondContact O-N 2.88Å; N81-E148 PolarHBondContact ND2-OE1 3.45Å; N81-R150 PolarHBondContact O-NH1 2.68Å; N81-R150 PolarHBondContact O-NH2 3.19Å
82W97.9Very high96.2Very high69 Ų6944.3 Ų44.326%0.26127%0.272SS..  trans-57.1131.9174.9-81.196.7000111.6F57 R58 A61 I79 T80 G86 E88 F89F57-W82 HydrophobicContact CD1-CH2 4.25Å; F57-W82 HydrophobicContact CD1-CZ3 4.03Å; R58-W82 HydrophobicContact CB-CH2 4.1Å; R58-W82 HydrophobicContact CB-CZ2 4.14Å; R58-W82 HydrophobicContact CG-CE3 4.4Å; R58-W82 HydrophobicContact CG-CH2 3.62Å; R58-W82 HydrophobicContact CG-CZ2 3.82Å; R58-W82 HydrophobicContact CG-CZ3 3.92Å; R58-W82 VanDerWaalsContact NH1-CD2 3.34Å; A61-W82 HydrophobicContact CB-CH2 3.95Å; A61-W82 HydrophobicContact CB-CZ2 3.65Å; I79-W82 HydrophobicContact CG2-CZ2 4.07Å; T80-W82 VanDerWaalsContact C-N 3.32Å; T80-W82 PolarHBondContact O-N 3.03Å; T80-W82 VanDerWaalsContact O-N 3.17Å; W82-G86 WeakPolarHBondContact CZ3-O 3.4Å; W82-E88 CarbonylContact C-O 3.54Å; W82-E88 VanDerWaalsContact CA-O 3.28Å; W82-E88 WeakPolarHBondContact CA-O 3.45Å; W82-E88 VanDerWaalsContact CE3-O 3.28Å; W82-F89 HydrophobicContact CD2-CB 3.68Å; W82-F89 HydrophobicContact CE3-CB 3.83Å; W82-F89 HydrophobicContact CE3-CD1 4.48Å; W82-F89 HydrophobicContact CG-CB 4.26Å; W82-F89 HydrophobicContact CH2-CB 3.89Å; W82-F89 AromaticContact CH2-CD1 3.35Å; W82-F89 HydrophobicContact CH2-CD1 3.35Å; W82-F89 HydrophobicContact CH2-CE1 4.07Å; W82-F89 AromaticContact CH2-CG 3.83Å; W82-F89 HydrophobicContact CH2-CG 3.83Å; W82-F89 HydrophobicContact CZ2-CB 3.77Å; W82-F89 AromaticContact CZ2-CD1 3.84Å; W82-F89 HydrophobicContact CZ2-CD1 3.84Å; W82-F89 AromaticContact CZ2-CG 3.86Å; W82-F89 HydrophobicContact CZ2-CG 3.86Å; W82-F89 HydrophobicContact CZ3-CB 3.93Å; W82-F89 AromaticContact CZ3-CD1 3.74Å; W82-F89 HydrophobicContact CZ3-CD1 3.74Å; W82-F89 HydrophobicContact CZ3-CG 4.23Å
83S96.5Very high96.3Very high16 Ų1641 Ų4111%0.11226%0.259CS..  trans-65.1153.8167.663.70000110.4N81 G85 G86 D87 E88N81-S83 PolarHBondContact O-N 2.88Å; S83-G85 PolarHBondContact O-N 3.26Å; S83-G86 PolarHBondContact O-N 3.24Å; S83-G86 PolarHBondContact OG-N 3.43Å; S83-D87 WeakPolarHBondContact CB-OD1 3.36Å; S83-D87 PolarHBondContact OG-N 3.41Å; S83-D87 PolarHBondContact OG-OD1 3.42Å; S83-E88 PolarHBondContact N-O 3.05Å; S83-E88 PolarHBondContact OG-N 3.38Å
84P94.4Very high96.1Very high144 Ų14447 Ų4794%0.93529%0.286SS*.THydrogen-bonded Turntrans-56.8-30.7173.4-25.634.8000113.3G86P84-G86 VanDerWaalsContact C-N 3.28Å; P84-G86 PolarHBondContact O-N 2.94Å
85G92.3Very high95.8Very high66 Ų6649.8 Ų49.868%0.6829%0.292SS*.THydrogen-bonded Turntrans-75.2-12.1176.600000114.4S83 D87S83-G85 PolarHBondContact O-N 3.26Å; G85-D87 PolarHBondContact O-N 2.88Å
86G93.2Very high95.5Very high17 Ų1748.7 Ų48.718%0.17529%0.286CS..SBendtrans67.616.9-175.100000113.7W82 S83 P84W82-G86 WeakPolarHBondContact CZ3-O 3.4Å; S83-G86 PolarHBondContact O-N 3.24Å; S83-G86 PolarHBondContact OG-N 3.43Å; P84-G86 VanDerWaalsContact C-N 3.28Å; P84-G86 PolarHBondContact O-N 2.94Å
87D95.1Very high95.2Very high57 Ų5745.6 Ų45.631%0.30527%0.268SS..SBendtrans-102.1-6.1-178.665.4-27.4000112.8F57 S83 G85 K152 F153F57-D87 WeakPolarHBondContact CE1-O 3.34Å; S83-D87 WeakPolarHBondContact CB-OD1 3.36Å; S83-D87 PolarHBondContact OG-N 3.41Å; S83-D87 PolarHBondContact OG-OD1 3.42Å; G85-D87 PolarHBondContact O-N 2.88Å; D87-K152 CarbonylContact O-C 3.57Å; D87-K152 WeakPolarHBondContact O-CA 3.38Å; D87-F153 HydrophobicContact CB-CB 4.36Å; D87-F153 WeakPolarHBondContact O-CB 3.36Å; D87-F153 PolarHBondContact O-N 3.26Å
88E97.8Very high94.9Very high39 Ų3945.3 Ų45.318%0.18227%0.266CS..EExtended strand (participates in β ladder)trans-138.6145.5174.5-53.9-174.7-174.900111.6W82 S83 R150 M151 K152W82-E88 CarbonylContact C-O 3.54Å; W82-E88 VanDerWaalsContact CA-O 3.28Å; W82-E88 WeakPolarHBondContact CA-O 3.45Å; W82-E88 VanDerWaalsContact CE3-O 3.28Å; S83-E88 PolarHBondContact N-O 3.05Å; S83-E88 PolarHBondContact OG-N 3.38Å; E88-R150 IonicContact OE2-CZ 2.7Å; E88-R150 IonicContact OE2-NE 3.84Å; E88-R150 PolarHBondContact OE2-NE 3.49Å; E88-R150 IonicContact OE2-NH2 3.7Å; E88-R150 PolarHBondContact OE2-NH2 3.45Å; E88-M151 CarbonylContact C-O 3.09Å; E88-M151 WeakPolarHBondContact CA-O 3.38Å; E88-K152 HydrophobicContact CG-CB 3.77Å; E88-K152 HydrophobicContact CG-CD 4.1Å; E88-K152 HydrophobicContact CG-CG 3.72Å; E88-K152 WeakPolarHBondContact OE1-CD 3.43Å; E88-K152 WeakPolarHBondContact OE1-CE 3.34Å; E88-K152 IonicContact OE1-NZ 2.71Å; E88-K152 PolarHBondContact OE1-NZ 3.31Å
89F98.5Very high94.6Very high0 Ų043.7 Ų43.70%025%0.253CS..EExtended strand (participates in β ladder)trans-151.7169.6172.567.4-90.6000110.7F57 A61 I79 W82 L91 M151F57-F89 AromaticContact CD1-CD1 3.78Å; F57-F89 HydrophobicContact CD1-CD1 3.78Å; F57-F89 AromaticContact CD1-CE1 3.79Å; F57-F89 HydrophobicContact CD1-CE1 3.79Å; F57-F89 HydrophobicContact CD2-CE1 4.28Å; F57-F89 AromaticContact CE1-CD1 3.41Å; F57-F89 HydrophobicContact CE1-CD1 3.41Å; F57-F89 VanDerWaalsContact CE1-CD1 3.41Å; F57-F89 AromaticContact CE1-CE1 3.31Å; F57-F89 HydrophobicContact CE1-CE1 3.31Å; F57-F89 AromaticContact CE2-CE1 3.85Å; F57-F89 HydrophobicContact CE2-CE1 3.85Å; F57-F89 HydrophobicContact CG-CE1 4.25Å; F57-F89 AromaticContact CZ-CD1 3.95Å; F57-F89 HydrophobicContact CZ-CD1 3.95Å; F57-F89 AromaticContact CZ-CE1 3.35Å; F57-F89 HydrophobicContact CZ-CE1 3.35Å; F57-F89 HydrophobicContact CZ-CZ 4.31Å; A61-F89 HydrophobicContact CB-CD1 3.96Å; A61-F89 HydrophobicContact CB-CD2 4.01Å; A61-F89 HydrophobicContact CB-CE1 3.52Å; A61-F89 HydrophobicContact CB-CE2 3.59Å; A61-F89 HydrophobicContact CB-CG 4.18Å; A61-F89 HydrophobicContact CB-CZ 3.34Å; I79-F89 HydrophobicContact CG2-CB 4.23Å; I79-F89 HydrophobicContact CG2-CD2 3.83Å; I79-F89 HydrophobicContact CG2-CG 4.26Å; W82-F89 HydrophobicContact CD2-CB 3.68Å; W82-F89 HydrophobicContact CE3-CB 3.83Å; W82-F89 HydrophobicContact CE3-CD1 4.48Å; W82-F89 HydrophobicContact CG-CB 4.26Å; W82-F89 HydrophobicContact CH2-CB 3.89Å; W82-F89 AromaticContact CH2-CD1 3.35Å; W82-F89 HydrophobicContact CH2-CD1 3.35Å; W82-F89 HydrophobicContact CH2-CE1 4.07Å; W82-F89 AromaticContact CH2-CG 3.83Å; W82-F89 HydrophobicContact CH2-CG 3.83Å; W82-F89 HydrophobicContact CZ2-CB 3.77Å; W82-F89 AromaticContact CZ2-CD1 3.84Å; W82-F89 HydrophobicContact CZ2-CD1 3.84Å; W82-F89 AromaticContact CZ2-CG 3.86Å; W82-F89 HydrophobicContact CZ2-CG 3.86Å; W82-F89 HydrophobicContact CZ3-CB 3.93Å; W82-F89 AromaticContact CZ3-CD1 3.74Å; W82-F89 HydrophobicContact CZ3-CD1 3.74Å; W82-F89 HydrophobicContact CZ3-CG 4.23Å; F89-L91 HydrophobicContact CD2-CD2 4.41Å; F89-L91 HydrophobicContact CD2-CG 4.34Å; F89-L91 HydrophobicContact CE2-CD1 4.34Å; F89-L91 HydrophobicContact CE2-CD2 3.8Å; F89-L91 HydrophobicContact CE2-CG 3.76Å; F89-M151 HydrophobicContact CD1-CB 4.03Å; F89-M151 HydrophobicContact CD2-CB 4.2Å; F89-M151 HydrophobicContact CD2-CG 4.26Å; F89-M151 HydrophobicContact CE1-CB 3.71Å; F89-M151 HydrophobicContact CE1-CG 4.24Å; F89-M151 HydrophobicContact CE2-CB 3.89Å; F89-M151 HydrophobicContact CE2-CG 3.64Å; F89-M151 HydrophobicContact CG-CB 4.27Å; F89-M151 HydrophobicContact CZ-CB 3.63Å; F89-M151 HydrophobicContact CZ-CE 4.3Å; F89-M151 HydrophobicContact CZ-CG 3.62Å; F89-M151 PolarHBondContact N-O 3.2Å; F89-M151 PolarHBondContact O-N 3.04Å
90S98.4Very high94Very high0 Ų044.4 Ų44.40%026%0.257CS..EExtended strand (participates in β ladder)trans-118.5136.2177.7-63.30000111.3I79 T80 E148 I149 R150I79-S90 WeakPolarHBondContact CA-O 3.32Å; T80-S90 PolarHBondContact N-O 3.43Å; T80-S90 PolarHBondContact O-N 3.08Å; S90-E148 WeakPolarHBondContact CB-OE1 3.28Å; S90-E148 PolarHBondContact OG-OE1 3.17Å; S90-I149 WeakPolarHBondContact CA-O 3.45Å; S90-R150 WeakPolarHBondContact OG-CD 3.28Å; S90-R150 PolarHBondContact OG-NH1 2.92Å
91L98.4Very high93.5Very high0 Ų050.4 Ų50.40%028%0.28CS..EExtended strand (participates in β ladder)trans-96.5118.5167.5-65.8169.7000108.4I64 A65 F69 P77 I79 F89 L93 L121 E148 I149 M151I64-L91 HydrophobicContact CG2-CD1 3.97Å; A65-L91 HydrophobicContact CB-CD2 3.97Å; F69-L91 HydrophobicContact CE2-CD1 3.92Å; F69-L91 HydrophobicContact CZ-CD1 4.41Å; P77-L91 HydrophobicContact CB-CB 4.25Å; P77-L91 HydrophobicContact CB-CD2 4.23Å; I79-L91 HydrophobicContact CG1-CD2 4.03Å; F89-L91 HydrophobicContact CD2-CD2 4.41Å; F89-L91 HydrophobicContact CD2-CG 4.34Å; F89-L91 HydrophobicContact CE2-CD1 4.34Å; F89-L91 HydrophobicContact CE2-CD2 3.8Å; F89-L91 HydrophobicContact CE2-CG 3.76Å; L91-L93 HydrophobicContact CB-CD1 4.15Å; L91-L121 HydrophobicContact CD1-CD1 4.39Å; L91-E148 WeakPolarHBondContact O-CA 3.2Å; L91-I149 HydrophobicContact CB-CB 4.35Å; L91-I149 PolarHBondContact N-O 2.71Å; L91-I149 PolarHBondContact O-N 2.9Å; L91-M151 HydrophobicContact CD1-CG 4.14Å; L91-M151 HydrophobicContact CD1-SD 4.4Å; L91-M151 HydrophobicContact CG-CG 4.41Å
92I98.1Very high93.3Very high20 Ų2047.6 Ų47.610%0.10327%0.266CS..EExtended strand (participates in β ladder)trans-99.4114.4176.7-49.9-57.1000108.6P77 S78 T80 V146 T147 E148P77-I92 CarbonylContact C-O 3.23Å; P77-I92 VanDerWaalsContact CA-O 3.23Å; P77-I92 WeakPolarHBondContact CA-O 3.5Å; P77-I92 WeakPolarHBondContact CB-O 3.3Å; S78-I92 PolarHBondContact N-O 3.39Å; S78-I92 PolarHBondContact O-N 2.81Å; T80-I92 HydrophobicContact CG2-CG1 4.12Å; T80-I92 WeakPolarHBondContact OG1-CG1 3.42Å; I92-V146 HydrophobicContact CG2-CB 3.93Å; I92-V146 HydrophobicContact CG2-CG1 4.18Å; I92-V146 HydrophobicContact CG2-CG2 4.04Å; I92-T147 WeakPolarHBondContact CA-O 3.43Å; I92-E148 HydrophobicContact CD1-CB 3.88Å; I92-E148 HydrophobicContact CD1-CG 3.71Å
93L95.8Very high92.9Very high2 Ų253 Ų531%0.0129%0.294CS..EExtended strand (participates in β ladder)trans-96.1100.5176-73.970.4000107.6F69 I75 P77 L91 N95 N96 L117 T147 I149F69-L93 HydrophobicContact CE1-CD2 4.07Å; F69-L93 HydrophobicContact CE1-CG 4.49Å; I75-L93 HydrophobicContact CD1-CD2 3.97Å; I75-L93 HydrophobicContact CD1-CG 4.1Å; P77-L93 HydrophobicContact CB-CD1 4.12Å; P77-L93 HydrophobicContact CB-CG 4.4Å; P77-L93 HydrophobicContact CG-CD1 4.15Å; P77-L93 HydrophobicContact CG-CG 4.15Å; L91-L93 HydrophobicContact CB-CD1 4.15Å; L93-N95 VanDerWaalsContact C-N 3.29Å; L93-N96 HydrophobicContact CD2-CB 4.26Å; L93-L117 HydrophobicContact CD2-CD1 4.29Å; L93-T147 HydrophobicContact CB-CG2 4.11Å; L93-T147 HydrophobicContact CD2-CG2 4.41Å; L93-T147 PolarHBondContact N-O 2.83Å; L93-T147 PolarHBondContact O-N 3.29Å; L93-I149 HydrophobicContact CD1-CD1 4Å; L93-I149 HydrophobicContact CD1-CG1 4.29Å; L93-I149 HydrophobicContact CD2-CD1 4.44Å
94E88.9Confident92.4Very high162 Ų16253.7 Ų53.776%0.75730%0.296SS*.SBendtrans-67.8-33.3174.8-66.2-177.6-177.600111.9
95N87.5Confident92.1Very high98 Ų9850 Ų5052%0.52427%0.273SS..SBendtrans-133119.1173.1-174-17000108.5I75 L93I75-N95 WeakPolarHBondContact CD1-O 3.38Å; L93-N95 VanDerWaalsContact C-N 3.29Å
96N89.8Confident91.7Very high6 Ų654.9 Ų54.93%0.03228%0.283CS..  trans-106.5105.9175.6177.47.2000109.5L93 L98 V99 S114L93-N96 HydrophobicContact CD2-CB 4.26Å; N96-L98 PolarHBondContact O-N 2.89Å; N96-L98 WeakPolarHBondContact OD1-CB 3.49Å; N96-L98 PolarHBondContact OD1-N 3.18Å; N96-V99 HydrophobicContact CB-CG2 4.03Å; N96-V99 VanDerWaalsContact O-CG2 3.27Å; N96-V99 WeakPolarHBondContact O-CG2 3.21Å; N96-V99 PolarHBondContact O-N 3.41Å; N96-V99 VanDerWaalsContact O-N 3.1Å; N96-S114 PolarHBondContact ND2-OG 3.45Å
97P90.3Very high91.4Very high14 Ų1459.6 Ų59.69%0.09130%0.304CS..G310 helixtrans-66.8-15.5-174.428.3-35.9000113.5T6 L73 I75 V99T6-P97 WeakPolarHBondContact CG2-O 3.45Å; T6-P97 PolarHBondContact OG1-O 3.02Å; L73-P97 HydrophobicContact CB-CG 4.26Å; L73-P97 HydrophobicContact CD2-CG 4.46Å; I75-P97 HydrophobicContact CG2-CG 4.41Å; P97-V99 VanDerWaalsContact C-N 3.28Å
98L89.8Confident91.1Very high1 Ų158.6 Ų58.61%0.00530%0.298CS..G310 helixtrans-70.9-26.8177-66.5-178000112.5F5 Y9 N96 Y113 L117F5-L98 HydrophobicContact CD1-CD2 3.92Å; F5-L98 HydrophobicContact CE1-CD2 3.3Å; F5-L98 HydrophobicContact CZ-CD2 4.03Å; Y9-L98 HydrophobicContact CD1-CB 4.18Å; Y9-L98 HydrophobicContact CD1-CD1 4.49Å; Y9-L98 HydrophobicContact CD1-CD2 4Å; Y9-L98 HydrophobicContact CD1-CG 4.48Å; Y9-L98 HydrophobicContact CE1-CB 4.31Å; Y9-L98 HydrophobicContact CE1-CD1 4.23Å; Y9-L98 HydrophobicContact CG-CD2 4.15Å; N96-L98 PolarHBondContact O-N 2.89Å; N96-L98 WeakPolarHBondContact OD1-CB 3.49Å; N96-L98 PolarHBondContact OD1-N 3.18Å; L98-Y113 VanDerWaalsContact O-CE1 3.26Å; L98-Y113 WeakPolarHBondContact O-CE1 3.46Å; L98-L117 HydrophobicContact CD1-CD1 3.9Å; L98-L117 HydrophobicContact CD1-CD2 3.87Å; L98-L117 HydrophobicContact CD1-CG 3.78Å
99V91.1Very high90.6Very high19 Ų1960.8 Ų60.812%0.11532%0.317CS..G310 helixtrans-99.54.2-175.7-520000112.6N96 P97 F101 V102 Y113 L141N96-V99 HydrophobicContact CB-CG2 4.03Å; N96-V99 VanDerWaalsContact O-CG2 3.27Å; N96-V99 WeakPolarHBondContact O-CG2 3.21Å; N96-V99 PolarHBondContact O-N 3.41Å; N96-V99 VanDerWaalsContact O-N 3.1Å; P97-V99 VanDerWaalsContact C-N 3.28Å; V99-F101 PolarHBondContact O-N 2.94Å; V99-V102 HydrophobicContact CB-CB 4.44Å; V99-V102 WeakPolarHBondContact O-CB 3.22Å; V99-V102 PolarHBondContact O-N 3.38Å; V99-Y113 HydrophobicContact CG1-CD1 3.84Å; V99-Y113 HydrophobicContact CG1-CE1 4.33Å; V99-L141 HydrophobicContact CB-CD1 3.86Å; V99-L141 HydrophobicContact CB-CD2 4.09Å; V99-L141 HydrophobicContact CB-CG 3.98Å; V99-L141 HydrophobicContact CG1-CD1 3.44Å; V99-L141 VanDerWaalsContact CG1-CD1 3.44Å; V99-L141 HydrophobicContact CG1-CG 3.92Å
100D86.9Confident90.3Very high58 Ų5863.6 Ų63.631%0.3134%0.337SS..THydrogen-bonded Turntrans-56.2123.9172.2-71.4-15.8000108.7T6 V102T6-D100 HydrophobicContact CG2-CB 4.12Å; T6-D100 VanDerWaalsContact CG2-O 3.29Å; T6-D100 WeakPolarHBondContact CG2-O 3.2Å; D100-V102 VanDerWaalsContact C-N 3.32Å; D100-V102 PolarHBondContact O-N 2.88Å
101F87.1Confident90.2Very high176 Ų17663.7 Ų63.777%0.77234%0.338SS*.THydrogen-bonded Turntrans69.418-178.3-38.4-70.5000116.1V99V99-F101 PolarHBondContact O-N 2.94Å
102V91.5Very high90.2Very high35 Ų3565.5 Ų65.521%0.21235%0.347CS..  trans-102.3134.1178.9-177.80000110.6V99 D100 Y113 L141V99-V102 HydrophobicContact CB-CB 4.44Å; V99-V102 WeakPolarHBondContact O-CB 3.22Å; V99-V102 PolarHBondContact O-N 3.38Å; D100-V102 VanDerWaalsContact C-N 3.32Å; D100-V102 PolarHBondContact O-N 2.88Å; V102-Y113 HydrophobicContact CG1-CD2 3.91Å; V102-Y113 HydrophobicContact CG1-CE1 4.34Å; V102-Y113 HydrophobicContact CG1-CE2 3.7Å; V102-Y113 HydrophobicContact CG1-CG 4.32Å; V102-Y113 HydrophobicContact CG2-CE1 3.88Å; V102-Y113 HydrophobicContact CG2-CE2 4.17Å; V102-Y113 WeakPolarHBondContact CG2-OH 3.38Å; V102-L141 HydrophobicContact CB-CD1 4.46Å; V102-L141 HydrophobicContact CB-CD2 4.18Å; V102-L141 HydrophobicContact CG1-CD1 3.93Å; V102-L141 HydrophobicContact CG1-CD2 4.14Å; V102-L141 WeakPolarHBondContact O-CD2 3.25Å
103E88.7Confident90.1Very high183 Ų18365.2 Ų65.286%0.85535%0.345SS*.  trans-127.8127.7166.6-172.1173-171.300107.6P105E103-P105 WeakPolarHBondContact O-CD 3.32Å
104L87.9Confident90.2Very high30 Ų3065.1 Ų65.116%0.15734%0.344CS..  trans-79.3127.7179-79.3174.3000109.8L111 L141 K142L104-L111 HydrophobicContact CD2-CB 4.39Å; L104-L111 HydrophobicContact CD2-CD2 3.74Å; L104-L111 HydrophobicContact CD2-CG 4.36Å; L104-L141 HydrophobicContact CD1-CB 3.6Å; L104-L141 HydrophobicContact CD1-CD1 4.3Å; L104-L141 HydrophobicContact CG-CB 4.07Å; L104-L141 HydrophobicContact CG-CD1 4.26Å; L104-K142 HydrophobicContact CD1-CG 4.36Å
105P86.6Confident90.6Very high68 Ų6858.1 Ų58.144%0.44231%0.312SS..  trans-63.6150.8170-23.835.9000112.3E103 N107 H108E103-P105 WeakPolarHBondContact O-CD 3.32Å; P105-N107 WeakPolarHBondContact CB-OD1 3.39Å; P105-N107 PolarHBondContact O-N 3.47Å; P105-H108 PolarHBondContact O-N 3.22Å
106D84.9Confident91.1Very high168 Ų16854.1 Ų54.190%0.89829%0.29SS*.G310 helixtrans-55.1-30-179.9-66.9-32000113.6H108D106-H108 VanDerWaalsContact C-N 3.25Å; D106-H108 PolarHBondContact O-N 3.48Å
107N86.3Confident91.5Very high116 Ų11654.6 Ų54.662%0.6229%0.293SS*.G310 helixtrans-79.6-0.9179.668.2-62.9000114.1P105P105-N107 WeakPolarHBondContact CB-OD1 3.39Å; P105-N107 PolarHBondContact O-N 3.47Å
108H88.9Confident91.8Very high35 Ų3553.9 Ų53.916%0.16229%0.288CS..G310 helixtrans-120.438-178.5-71.5-63.8000113D23 P105 D106 S110 L111D23-H108 IonicContact OD1-CE1 2.59Å; D23-H108 IonicContact OD1-CG 3.65Å; D23-H108 IonicContact OD1-ND1 2.7Å; D23-H108 PolarHBondContact OD1-ND1 3.03Å; D23-H108 WeakPolarHBondContact OD2-CA 3.45Å; P105-H108 PolarHBondContact O-N 3.22Å; D106-H108 VanDerWaalsContact C-N 3.25Å; D106-H108 PolarHBondContact O-N 3.48Å; H108-S110 VanDerWaalsContact C-N 3.27Å; H108-S110 PolarHBondContact O-N 3.35Å; H108-L111 HydrophobicContact CB-CB 4.15Å; H108-L111 HydrophobicContact CB-CD2 4.36Å; H108-L111 WeakPolarHBondContact O-CB 3.32Å; H108-L111 PolarHBondContact O-N 2.96Å
109S87.8Confident92.2Very high85 Ų8553.9 Ų53.959%0.59429%0.288SS*.THydrogen-bonded Turntrans-66.8-24.7-178.355.50000114K142S109-K142 WeakPolarHBondContact O-CE 3.27Å; S109-K142 PolarHBondContact O-NZ 3.26Å
110S92.9Very high92.6Very high59 Ų5954.1 Ų54.141%0.41329%0.289SS..THydrogen-bonded Turntrans-87.1-14.7178.5-71.50000112.6D23 N27 H108 I112D23-S110 WeakPolarHBondContact OD2-CA 3.38Å; D23-S110 WeakPolarHBondContact OD2-CB 3.44Å; D23-S110 PolarHBondContact OD2-N 3.41Å; D23-S110 VanDerWaalsContact OD2-N 3.08Å; N27-S110 PolarHBondContact ND2-O 3Å; H108-S110 VanDerWaalsContact C-N 3.27Å; H108-S110 PolarHBondContact O-N 3.35Å; S110-I112 PolarHBondContact O-N 3.34Å
111L95.9Very high93.2Very high3 Ų352.2 Ų52.22%0.01628%0.279CS..  trans-62.4131.9178.5-174.962000110.8V13 D23 V26 L104 H108 K142V13-L111 HydrophobicContact CG1-CD2 4.11Å; D23-L111 HydrophobicContact CB-CB 4.27Å; D23-L111 PolarHBondContact OD2-N 3.33Å; V26-L111 HydrophobicContact CB-CD1 4Å; V26-L111 HydrophobicContact CG1-CD1 3.49Å; V26-L111 VanDerWaalsContact CG1-CD1 3.49Å; L104-L111 HydrophobicContact CD2-CB 4.39Å; L104-L111 HydrophobicContact CD2-CD2 3.74Å; L104-L111 HydrophobicContact CD2-CG 4.36Å; H108-L111 HydrophobicContact CB-CB 4.15Å; H108-L111 HydrophobicContact CB-CD2 4.36Å; H108-L111 WeakPolarHBondContact O-CB 3.32Å; H108-L111 PolarHBondContact O-N 2.96Å; L111-K142 WeakPolarHBondContact O-CE 3.43Å; L111-K142 PolarHBondContact O-NZ 3Å
112I96.9Very high93.7Very high38 Ų3846 Ų4620%0.19525%0.251CS..  trans-104.590.2170.1-58.2172.8000105N27 S110 S114 N115 F136N27-I112 PolarHBondContact OD1-N 2.9Å; S110-I112 PolarHBondContact O-N 3.34Å; I112-S114 PolarHBondContact O-N 3.5Å; I112-S114 VanDerWaalsContact O-N 3.09Å; I112-N115 HydrophobicContact CB-CB 3.91Å; I112-N115 HydrophobicContact CG2-CB 3.74Å; I112-N115 VanDerWaalsContact O-CB 3.3Å; I112-N115 WeakPolarHBondContact O-CB 3.37Å; I112-N115 PolarHBondContact O-N 3.05Å; I112-F136 HydrophobicContact CG2-CB 3.96Å; I112-F136 HydrophobicContact CG2-CD1 4.45Å; I112-F136 HydrophobicContact CG2-CD2 3.35Å; I112-F136 HydrophobicContact CG2-CE2 3.95Å; I112-F136 HydrophobicContact CG2-CG 3.66Å
113Y96.9Very high94Very high14 Ų1444.4 Ų44.46%0.05524%0.241CC..THydrogen-bonded Turntrans-56.7-35.7-168.9-177-89.7000112.2Y9 G10 V13 L98 V99 V102 L141Y9-Y113 HydrophobicContact CD1-CD1 4.4Å; Y9-Y113 AromaticContact CD1-CE1 3.57Å; Y9-Y113 HydrophobicContact CD1-CE1 3.57Å; Y9-Y113 AromaticContact CD1-CZ 3.94Å; Y9-Y113 AromaticContact CE1-CD1 3.78Å; Y9-Y113 HydrophobicContact CE1-CD1 3.78Å; Y9-Y113 AromaticContact CE1-CE1 3.39Å; Y9-Y113 HydrophobicContact CE1-CE1 3.39Å; Y9-Y113 AromaticContact CE1-CZ 3.98Å; Y9-Y113 VanDerWaalsContact CE1-O 3.3Å; Y9-Y113 WeakPolarHBondContact CE1-O 3.46Å; Y9-Y113 VanDerWaalsContact CZ-O 3.28Å; Y9-Y113 PolarHBondContact OH-O 3.24Å; G10-Y113 WeakPolarHBondContact CA-OH 3.2Å; V13-Y113 HydrophobicContact CB-CD2 4.35Å; V13-Y113 HydrophobicContact CB-CE2 3.86Å; V13-Y113 HydrophobicContact CG1-CD2 3.77Å; V13-Y113 HydrophobicContact CG1-CE2 3.73Å; V13-Y113 HydrophobicContact CG2-CD2 4.29Å; V13-Y113 HydrophobicContact CG2-CE2 3.92Å; L98-Y113 VanDerWaalsContact O-CE1 3.26Å; L98-Y113 WeakPolarHBondContact O-CE1 3.46Å; V99-Y113 HydrophobicContact CG1-CD1 3.84Å; V99-Y113 HydrophobicContact CG1-CE1 4.33Å; V102-Y113 HydrophobicContact CG1-CD2 3.91Å; V102-Y113 HydrophobicContact CG1-CE1 4.34Å; V102-Y113 HydrophobicContact CG1-CE2 3.7Å; V102-Y113 HydrophobicContact CG1-CG 4.32Å; V102-Y113 HydrophobicContact CG2-CE1 3.88Å; V102-Y113 HydrophobicContact CG2-CE2 4.17Å; V102-Y113 WeakPolarHBondContact CG2-OH 3.38Å; Y113-L141 HydrophobicContact CD1-CD1 4.06Å; Y113-L141 HydrophobicContact CG-CD1 3.81Å
114S97Very high94.5Very high0 Ų036.5 Ų36.50%021%0.207CC..THydrogen-bonded Turntrans-97.219.6-178.8-58.40000114N96 I112 L116 L117 F136N96-S114 PolarHBondContact ND2-OG 3.45Å; I112-S114 PolarHBondContact O-N 3.5Å; I112-S114 VanDerWaalsContact O-N 3.09Å; S114-L116 PolarHBondContact O-N 3.22Å; S114-L117 WeakPolarHBondContact O-CB 3.49Å; S114-L117 PolarHBondContact O-N 2.83Å; S114-F136 VanDerWaalsContact CB-CZ 3.49Å; S114-F136 WeakPolarHBondContact O-CE2 3.45Å; S114-F136 WeakPolarHBondContact O-CZ 3.35Å
115N97.7Very high94.9Very high15 Ų1535.7 Ų35.78%0.0820%0.203CC..THydrogen-bonded Turntrans-62.2-18-174.7-148.431.5000114N27 L30 I112 L117 C118 G119N27-N115 PolarHBondContact O-ND2 2.93Å; L30-N115 HydrophobicContact CB-CB 4.07Å; L30-N115 HydrophobicContact CD1-CB 4.43Å; I112-N115 HydrophobicContact CB-CB 3.91Å; I112-N115 HydrophobicContact CG2-CB 3.74Å; I112-N115 VanDerWaalsContact O-CB 3.3Å; I112-N115 WeakPolarHBondContact O-CB 3.37Å; I112-N115 PolarHBondContact O-N 3.05Å; N115-L117 PolarHBondContact O-N 2.98Å; N115-C118 WeakPolarHBondContact O-CB 3.45Å; N115-C118 PolarHBondContact O-N 2.97Å; N115-C118 VanDerWaalsContact O-N 3.11Å; N115-G119 PolarHBondContact O-N 3.12Å
116L98Very high95.4Very high14 Ų1436.7 Ų36.77%0.07320%0.201CC..Hα-helixtrans-50.9-39.6168.8-170.884.6000111.5Y9 L30 M33 G34 I37 S114 C118 G119 V120Y9-L116 HydrophobicContact CD2-CD2 4.11Å; Y9-L116 HydrophobicContact CE2-CB 3.83Å; Y9-L116 HydrophobicContact CE2-CD2 3.66Å; Y9-L116 HydrophobicContact CE2-CG 4.21Å; Y9-L116 WeakPolarHBondContact OH-CB 3.1Å; L30-L116 WeakPolarHBondContact O-CD1 3.5Å; M33-L116 HydrophobicContact CB-CD1 3.9Å; G34-L116 WeakPolarHBondContact CA-O 3.4Å; I37-L116 HydrophobicContact CD1-CD1 4.13Å; S114-L116 PolarHBondContact O-N 3.22Å; L116-C118 VanDerWaalsContact C-N 3.34Å; L116-C118 PolarHBondContact O-N 3.3Å; L116-G119 PolarHBondContact O-N 2.99Å; L116-V120 WeakPolarHBondContact O-CG2 3.28Å; L116-V120 PolarHBondContact O-N 2.92Å
117L97.8Very high95.9Very high15 Ų1533.1 Ų33.18%0.07918%0.18CC..Hα-helixtrans-63.2-38.4-179.8-62.9-177000112.3L73 L93 L98 S114 N115 G119 V120 L121 I149L73-L117 HydrophobicContact CD1-CD2 3.87Å; L93-L117 HydrophobicContact CD2-CD1 4.29Å; L98-L117 HydrophobicContact CD1-CD1 3.9Å; L98-L117 HydrophobicContact CD1-CD2 3.87Å; L98-L117 HydrophobicContact CD1-CG 3.78Å; S114-L117 WeakPolarHBondContact O-CB 3.49Å; S114-L117 PolarHBondContact O-N 2.83Å; N115-L117 PolarHBondContact O-N 2.98Å; L117-G119 VanDerWaalsContact C-N 3.34Å; L117-V120 PolarHBondContact O-N 3.27Å; L117-L121 VanDerWaalsContact O-CG 3.3Å; L117-L121 WeakPolarHBondContact O-CG 3.33Å; L117-L121 PolarHBondContact O-N 3.43Å; L117-I149 HydrophobicContact CB-CD1 4.3Å; L117-I149 HydrophobicContact CD1-CD1 4.32Å
118C98.3Very high96.2Very high0 Ų029.7 Ų29.70%016%0.164CC..Hα-helixtrans-61.9-45.7175.7-65.20000111N115 L116 L121 R122 V134 F136N115-C118 WeakPolarHBondContact O-CB 3.45Å; N115-C118 PolarHBondContact O-N 2.97Å; N115-C118 VanDerWaalsContact O-N 3.11Å; L116-C118 VanDerWaalsContact C-N 3.34Å; L116-C118 PolarHBondContact O-N 3.3Å; C118-L121 PolarHBondContact O-N 3.34Å; C118-R122 WeakPolarHBondContact O-CG 3.34Å; C118-R122 PolarHBondContact O-N 3.44Å; C118-V134 HydrophobicContact CB-CB 4.26Å; C118-V134 HydrophobicContact CB-CG1 3.94Å; C118-F136 WeakPolarHBondContact SG-CD2 3.49Å; C118-F136 WeakPolarHBondContact SG-CE2 3.23Å
119G98.4Very high96.5Very high0 Ų030.3 Ų30.30%017%0.167CC..Hα-helixtrans-55.2-53.2172.800000112.6D31 G34 Y35 N115 L116 L117 L121 R122 G123D31-G119 VanDerWaalsContact O-CA 3.22Å; D31-G119 WeakPolarHBondContact O-CA 3.45Å; D31-G119 PolarHBondContact OD1-N 3.3Å; G34-G119 CarbonylContact O-C 3.42Å; Y35-G119 WeakPolarHBondContact CA-O 3.43Å; Y35-G119 PolarHBondContact N-O 2.91Å; N115-G119 PolarHBondContact O-N 3.12Å; L116-G119 PolarHBondContact O-N 2.99Å; L117-G119 VanDerWaalsContact C-N 3.34Å; G119-L121 VanDerWaalsContact C-N 3.3Å; G119-L121 PolarHBondContact O-N 2.92Å; G119-R122 PolarHBondContact O-N 3.43Å; G119-G123 PolarHBondContact O-N 3.06Å
120V98.6Very high96.9Very high24 Ų2427.1 Ų27.115%0.14514%0.143CC..Hα-helixtrans-56.6-46-178.3171.90000111G34 I37 G38 L41 L116 L117 A124G34-V120 WeakPolarHBondContact O-CA 3.46Å; G34-V120 WeakPolarHBondContact O-CG2 3.5Å; G34-V120 PolarHBondContact O-N 2.68Å; I37-V120 HydrophobicContact CB-CG2 4.17Å; I37-V120 HydrophobicContact CG2-CG2 4.03Å; G38-V120 WeakPolarHBondContact CA-O 3.38Å; L41-V120 HydrophobicContact CD2-CG1 3.89Å; L116-V120 WeakPolarHBondContact O-CG2 3.28Å; L116-V120 PolarHBondContact O-N 2.92Å; L117-V120 PolarHBondContact O-N 3.27Å; V120-A124 VanDerWaalsContact O-CB 3.25Å; V120-A124 WeakPolarHBondContact O-CB 3.47Å; V120-A124 PolarHBondContact O-N 3.36Å
121L98.5Very high97Very high18 Ų1824.9 Ų24.99%0.09413%0.128CC..Hα-helixtrans-62.7-45.5179.2-71.5167.4000111.8I64 F69 L91 L117 C118 G119 L125 V134 I149 M151I64-L121 HydrophobicContact CD1-CD2 4.49Å; I64-L121 HydrophobicContact CG2-CD2 3.76Å; F69-L121 HydrophobicContact CE2-CD1 4.48Å; F69-L121 HydrophobicContact CE2-CD2 4.16Å; F69-L121 HydrophobicContact CZ-CD1 4.44Å; L91-L121 HydrophobicContact CD1-CD1 4.39Å; L117-L121 VanDerWaalsContact O-CG 3.3Å; L117-L121 WeakPolarHBondContact O-CG 3.33Å; L117-L121 PolarHBondContact O-N 3.43Å; C118-L121 PolarHBondContact O-N 3.34Å; G119-L121 VanDerWaalsContact C-N 3.3Å; G119-L121 PolarHBondContact O-N 2.92Å; L121-L125 WeakPolarHBondContact O-CB 3.38Å; L121-L125 WeakPolarHBondContact O-CD1 3.39Å; L121-L125 WeakPolarHBondContact O-CG 3.5Å; L121-L125 PolarHBondContact O-N 3.44Å; L121-V134 HydrophobicContact CB-CG1 4.29Å; L121-V134 HydrophobicContact CB-CG2 4.24Å; L121-V134 HydrophobicContact CD1-CG1 3.99Å; L121-I149 HydrophobicContact CD1-CG2 4.28Å; L121-M151 HydrophobicContact CB-CE 4.45Å; L121-M151 HydrophobicContact CB-SD 4.4Å; L121-M151 HydrophobicContact CD1-SD 3.87Å
122R98.4Very high97.1Very high47 Ų4725.3 Ų25.318%0.17713%0.131CC..Hα-helixtrans-63.3-49.4177.4-70.7-159-48.6-74.2-31.6112D31 Y35 C118 G119 A124 L125 E126 V132 V134D31-R122 IonicContact OD1-CZ 2.81Å; D31-R122 IonicContact OD1-NH1 2.71Å; D31-R122 PolarHBondContact OD1-NH1 2.91Å; D31-R122 IonicContact OD1-NH2 2.81Å; D31-R122 PolarHBondContact OD1-NH2 2.92Å; D31-R122 IonicContact OD2-CZ 3.43Å; D31-R122 IonicContact OD2-NH1 3.07Å; D31-R122 IonicContact OD2-NH2 3.2Å; D31-R122 PolarHBondContact OD2-NH2 3.16Å; Y35-R122 HydrophobicContact CD2-CB 4.41Å; C118-R122 WeakPolarHBondContact O-CG 3.34Å; C118-R122 PolarHBondContact O-N 3.44Å; G119-R122 PolarHBondContact O-N 3.43Å; R122-A124 VanDerWaalsContact C-N 3.35Å; R122-A124 PolarHBondContact O-N 3.19Å; R122-L125 PolarHBondContact O-N 3.33Å; R122-E126 WeakPolarHBondContact O-CB 3.42Å; R122-E126 PolarHBondContact O-N 2.98Å; R122-V132 VanDerWaalsContact CD-O 3.3Å; R122-V132 WeakPolarHBondContact CD-O 3.25Å; R122-V132 HydrophobicContact CG-CG2 4.19Å; R122-V134 HydrophobicContact CG-CB 3.83Å; R122-V134 HydrophobicContact CG-CG2 3.48Å; R122-V134 VanDerWaalsContact CG-CG2 3.48Å; R122-V134 PolarHBondContact NH1-O 3.02Å
123G98.1Very high97.2Very high0 Ų026.7 Ų26.70%014%0.138CC..Hα-helixtrans-61.8-41.9-17900000112.7Y35 G119 M127Y35-G123 VanDerWaalsContact CD2-CA 3.41Å; Y35-G123 VanDerWaalsContact CE2-CA 3.5Å; G119-G123 PolarHBondContact O-N 3.06Å; G123-M127 WeakPolarHBondContact O-CG 3.32Å; G123-M127 PolarHBondContact O-N 3.05Å
124A97.9Very high97.3Very high18 Ų1826.2 Ų26.215%0.14914%0.137CC..Hα-helixtrans-66.8-42.417800000112.3G38 I42 V120 R122 M127G38-A124 WeakPolarHBondContact O-CA 3.37Å; I42-A124 HydrophobicContact CB-CB 4.16Å; I42-A124 HydrophobicContact CD1-CB 4.38Å; V120-A124 VanDerWaalsContact O-CB 3.25Å; V120-A124 WeakPolarHBondContact O-CB 3.47Å; V120-A124 PolarHBondContact O-N 3.36Å; R122-A124 VanDerWaalsContact C-N 3.35Å; R122-A124 PolarHBondContact O-N 3.19Å; A124-M127 PolarHBondContact O-N 3.14Å
125L97.1Very high97.3Very high12 Ų1231.4 Ų31.46%0.06316%0.16CC..Hα-helixtrans-72.8-31.6-179-73168.8000113T60 I64 L121 R122 M127 V128 Q129 M130 V132 M151T60-L125 HydrophobicContact CG2-CD2 3.54Å; I64-L125 HydrophobicContact CD1-CD1 3.97Å; I64-L125 HydrophobicContact CD1-CD2 4.24Å; L121-L125 WeakPolarHBondContact O-CB 3.38Å; L121-L125 WeakPolarHBondContact O-CD1 3.39Å; L121-L125 WeakPolarHBondContact O-CG 3.5Å; L121-L125 PolarHBondContact O-N 3.44Å; R122-L125 PolarHBondContact O-N 3.33Å; L125-M127 VanDerWaalsContact C-N 3.31Å; L125-M127 PolarHBondContact O-N 3.42Å; L125-V128 HydrophobicContact CD2-CG2 4.16Å; L125-V128 CarbonylContact O-C 3.51Å; L125-V128 VanDerWaalsContact O-CG2 3.25Å; L125-V128 WeakPolarHBondContact O-CG2 3.36Å; L125-V128 PolarHBondContact O-N 3.43Å; L125-V128 VanDerWaalsContact O-N 3.16Å; L125-Q129 PolarHBondContact O-N 2.95Å; L125-M130 CarbonylContact C-O 3.57Å; L125-M130 VanDerWaalsContact C-O 3.23Å; L125-M130 HydrophobicContact CB-CB 4.28Å; L125-M130 HydrophobicContact CD2-CE 3.75Å; L125-M130 PolarHBondContact O-N 2.77Å; L125-V132 HydrophobicContact CB-CG2 3.99Å; L125-V132 HydrophobicContact CD1-CB 4.46Å; L125-V132 HydrophobicContact CD1-CG1 4.07Å; L125-V132 HydrophobicContact CD1-CG2 3.64Å; L125-V132 HydrophobicContact CG-CG2 4.48Å; L125-M151 HydrophobicContact CD1-CE 3.46Å; L125-M151 VanDerWaalsContact CD1-CE 3.46Å
126E96.5Very high97.3Very high89 Ų8932 Ų3242%0.41616%0.161SC..Hα-helixtrans-59.8-42.3173.5-179.1161.5141.200111.5Y35 R122 V128 Q129 M130 I157Y35-E126 PolarHBondContact OH-OE1 3.12Å; Y35-E126 PolarHBondContact OH-OE2 2.78Å; R122-E126 WeakPolarHBondContact O-CB 3.42Å; R122-E126 PolarHBondContact O-N 2.98Å; E126-V128 PolarHBondContact O-N 3.38Å; E126-Q129 WeakPolarHBondContact O-CA 3.26Å; E126-Q129 PolarHBondContact O-N 2.79Å; E126-M130 PolarHBondContact N-O 3.46Å; E126-I157 HydrophobicContact CB-CD1 4.46Å; E126-I157 HydrophobicContact CG-CD1 3.71Å
127M95.1Very high97.2Very high93 Ų9335 Ų3546%0.45818%0.18SC..THydrogen-bonded Turntrans-66.8-16.7178.3-65.5-55.8-6700114.2V39 I42 G123 A124 L125V39-M127 HydrophobicContact CB-CG 4.21Å; V39-M127 HydrophobicContact CB-SD 4.47Å; V39-M127 HydrophobicContact CG1-CE 4.4Å; V39-M127 HydrophobicContact CG1-CG 4.1Å; V39-M127 HydrophobicContact CG1-SD 3.82Å; V39-M127 HydrophobicContact CG2-CG 4.13Å; V39-M127 HydrophobicContact CG2-SD 4.29Å; I42-M127 HydrophobicContact CG1-CB 4.43Å; I42-M127 HydrophobicContact CG2-CB 3.66Å; I42-M127 HydrophobicContact CG2-CG 3.88Å; G123-M127 WeakPolarHBondContact O-CG 3.32Å; G123-M127 PolarHBondContact O-N 3.05Å; A124-M127 PolarHBondContact O-N 3.14Å; L125-M127 VanDerWaalsContact C-N 3.31Å; L125-M127 PolarHBondContact O-N 3.42Å
128V94.3Very high97.1Very high45 Ų4536.9 Ų36.927%0.27319%0.188SC..THydrogen-bonded Turntrans-107.328170.7-63.20000111.9I42 L46 L125 E126 M130I42-V128 HydrophobicContact CD1-CG1 4.1Å; I42-V128 HydrophobicContact CG1-CG1 4Å; L46-V128 HydrophobicContact CD1-CG1 4.32Å; L125-V128 HydrophobicContact CD2-CG2 4.16Å; L125-V128 CarbonylContact O-C 3.51Å; L125-V128 VanDerWaalsContact O-CG2 3.25Å; L125-V128 WeakPolarHBondContact O-CG2 3.36Å; L125-V128 PolarHBondContact O-N 3.43Å; L125-V128 VanDerWaalsContact O-N 3.16Å; E126-V128 PolarHBondContact O-N 3.38Å; V128-M130 VanDerWaalsContact C-N 3.3Å; V128-M130 HydrophobicContact CG2-CE 3.63Å; V128-M130 PolarHBondContact O-N 3.33Å
129Q94.3Very high97Very high48 Ų4837 Ų3722%0.22419%0.189CC..THydrogen-bonded Turntrans65.526.3170.7-56161.3-29.200114.4L125 E126 R156 I157 D159L125-Q129 PolarHBondContact O-N 2.95Å; E126-Q129 WeakPolarHBondContact O-CA 3.26Å; E126-Q129 PolarHBondContact O-N 2.79Å; Q129-R156 WeakPolarHBondContact O-CA 3.09Å; Q129-I157 HydrophobicContact CB-CB 4.39Å; Q129-I157 PolarHBondContact O-N 3.34Å; Q129-D159 PolarHBondContact NE2-OD2 3.05Å
130M95.4Very high96.8Very high17 Ų1739.8 Ų39.88%0.08421%0.206CC..EExtended strand (participates in β ladder)trans-115.4104.5176.7-71-172.2-84.900110.3T60 L125 E126 V128 V132 F153T60-M130 HydrophobicContact CG2-CE 3.73Å; T60-M130 HydrophobicContact CG2-SD 4.16Å; L125-M130 CarbonylContact C-O 3.57Å; L125-M130 VanDerWaalsContact C-O 3.23Å; L125-M130 HydrophobicContact CB-CB 4.28Å; L125-M130 HydrophobicContact CD2-CE 3.75Å; L125-M130 PolarHBondContact O-N 2.77Å; E126-M130 PolarHBondContact N-O 3.46Å; V128-M130 VanDerWaalsContact C-N 3.3Å; V128-M130 HydrophobicContact CG2-CE 3.63Å; V128-M130 PolarHBondContact O-N 3.33Å; M130-V132 HydrophobicContact CB-CG1 4.4Å; M130-V132 PolarHBondContact O-N 2.77Å; M130-F153 HydrophobicContact CG-CE2 4.39Å
131A96.6Very high96.5Very high13 Ų1340.2 Ų40.211%0.10721%0.208CC..EExtended strand (participates in β ladder)trans-76.4121.2169.400000108.8I154 R155 I157A131-I154 HydrophobicContact CB-CB 4.32Å; A131-I154 WeakPolarHBondContact O-CB 3.3Å; A131-I154 PolarHBondContact O-N 2.94Å; A131-R155 HydrophobicContact CB-CG 3.87Å; A131-R155 WeakPolarHBondContact CB-O 3.35Å; A131-R155 PolarHBondContact N-O 3.47Å; A131-R155 PolarHBondContact O-N 3.27Å; A131-I157 HydrophobicContact CB-CD1 4.14Å; A131-I157 HydrophobicContact CB-CG1 3.97Å
132V97.9Very high96.2Very high12 Ų1243.8 Ų43.87%0.07322%0.222CC..EExtended strand (participates in β ladder)trans-132.2147.9-178.3-60.20000111.4F57 R122 L125 M130 V134 K152F57-V132 HydrophobicContact CE2-CG1 3.9Å; F57-V132 HydrophobicContact CZ-CG1 4.15Å; R122-V132 VanDerWaalsContact CD-O 3.3Å; R122-V132 WeakPolarHBondContact CD-O 3.25Å; R122-V132 HydrophobicContact CG-CG2 4.19Å; L125-V132 HydrophobicContact CB-CG2 3.99Å; L125-V132 HydrophobicContact CD1-CB 4.46Å; L125-V132 HydrophobicContact CD1-CG1 4.07Å; L125-V132 HydrophobicContact CD1-CG2 3.64Å; L125-V132 HydrophobicContact CG-CG2 4.48Å; M130-V132 HydrophobicContact CB-CG1 4.4Å; M130-V132 PolarHBondContact O-N 2.77Å; V132-V134 HydrophobicContact CB-CG2 4.43Å; V132-V134 HydrophobicContact CG2-CG2 3.76Å; V132-K152 CarbonylContact C-O 3.55Å; V132-K152 WeakPolarHBondContact CA-O 3.44Å; V132-K152 WeakPolarHBondContact CB-O 3.13Å
133D98.1Very high95.8Very high66 Ų6644.9 Ų44.935%0.35325%0.249SC..EExtended strand (participates in β ladder)trans-94.5136163.6-179.449000108.8K152 I154D133-K152 HydrophobicContact CB-CB 4.21Å; D133-K152 PolarHBondContact N-O 3.47Å; D133-K152 PolarHBondContact O-N 3.34Å; D133-I154 HydrophobicContact CB-CD1 4.08Å; D133-I154 HydrophobicContact CB-CG1 4.35Å
134V98.5Very high95.6Very high4 Ų447.9 Ų47.92%0.02426%0.264CS..EExtended strand (participates in β ladder)trans-139.4123.6-176.5-172.30000108.7C118 L121 R122 V132 I149 R150 M151C118-V134 HydrophobicContact CB-CB 4.26Å; C118-V134 HydrophobicContact CB-CG1 3.94Å; L121-V134 HydrophobicContact CB-CG1 4.29Å; L121-V134 HydrophobicContact CB-CG2 4.24Å; L121-V134 HydrophobicContact CD1-CG1 3.99Å; R122-V134 HydrophobicContact CG-CB 3.83Å; R122-V134 HydrophobicContact CG-CG2 3.48Å; R122-V134 VanDerWaalsContact CG-CG2 3.48Å; R122-V134 PolarHBondContact NH1-O 3.02Å; V132-V134 HydrophobicContact CB-CG2 4.43Å; V132-V134 HydrophobicContact CG2-CG2 3.76Å; V134-I149 HydrophobicContact CG1-CG2 3.49Å; V134-I149 VanDerWaalsContact CG1-CG2 3.49Å; V134-R150 WeakPolarHBondContact CA-O 3.45Å; V134-M151 HydrophobicContact CB-SD 4.14Å; V134-M151 HydrophobicContact CG1-SD 3.55Å; V134-M151 VanDerWaalsContact CG1-SD 3.55Å; V134-M151 HydrophobicContact CG2-CE 3.91Å; V134-M151 HydrophobicContact CG2-SD 3.5Å; V134-M151 VanDerWaalsContact CG2-SD 3.5Å
135K97.7Very high95.3Very high110 Ų11052 Ų5248%0.47829%0.293SS..EExtended strand (participates in β ladder)trans-147.7150.9-176.865.1-174.1-179.4-1740112.3V137 I149 R150K135-V137 HydrophobicContact CG-CG2 4.35Å; K135-I149 CarbonylContact O-C 3.47Å; K135-I149 WeakPolarHBondContact O-CA 3.42Å; K135-R150 HydrophobicContact CG-CB 4.09Å; K135-R150 PolarHBondContact N-O 3.12Å; K135-R150 VanDerWaalsContact N-O 3.08Å; K135-R150 PolarHBondContact O-N 3.4Å
136F97.4Very high95.1Very high26 Ų2653.3 Ų53.311%0.11430%0.301CS..EExtended strand (participates in β ladder)trans-73.8138.9165.9-79.1-98.3000110.3I112 S114 C118 T147 E148 I149I112-F136 HydrophobicContact CG2-CB 3.96Å; I112-F136 HydrophobicContact CG2-CD1 4.45Å; I112-F136 HydrophobicContact CG2-CD2 3.35Å; I112-F136 HydrophobicContact CG2-CE2 3.95Å; I112-F136 HydrophobicContact CG2-CG 3.66Å; S114-F136 VanDerWaalsContact CB-CZ 3.49Å; S114-F136 WeakPolarHBondContact O-CE2 3.45Å; S114-F136 WeakPolarHBondContact O-CZ 3.35Å; C118-F136 WeakPolarHBondContact SG-CD2 3.49Å; C118-F136 WeakPolarHBondContact SG-CE2 3.23Å; F136-T147 HydrophobicContact CD1-CG2 4.06Å; F136-T147 HydrophobicContact CE1-CG2 3.55Å; F136-E148 WeakPolarHBondContact CA-O 3.48Å; F136-I149 HydrophobicContact CD1-CG1 4.08Å; F136-I149 HydrophobicContact CD2-CG1 4.5Å; F136-I149 HydrophobicContact CE1-CD1 4.11Å; F136-I149 HydrophobicContact CE1-CG1 3.72Å; F136-I149 HydrophobicContact CE2-CD1 4.24Å; F136-I149 HydrophobicContact CE2-CG1 4.16Å; F136-I149 HydrophobicContact CG-CG1 4.45Å; F136-I149 HydrophobicContact CZ-CD1 3.72Å; F136-I149 HydrophobicContact CZ-CG1 3.75Å
137V96.6Very high95.1Very high77 Ų7749.1 Ų49.147%0.46728%0.281SS..EExtended strand (participates in β ladder)trans-117.6-33.4174.7-177.60000111.1K135 E148 R150K135-V137 HydrophobicContact CG-CG2 4.35Å; V137-E148 HydrophobicContact CB-CG 4.24Å; V137-E148 PolarHBondContact N-O 3.22Å; V137-R150 HydrophobicContact CG2-CB 3.47Å; V137-R150 VanDerWaalsContact CG2-CB 3.47Å; V137-R150 HydrophobicContact CG2-CG 4.35Å
138Q96.3Very high95.2Very high55 Ų5545.4 Ų45.426%0.25726%0.263SS..EExtended strand (participates in β ladder)trans-134.1144.6173.1-55.4-166.5-78.600109.8D144 V146 T147 E148Q138-D144 VanDerWaalsContact CA-OD2 3.29Å; Q138-D144 WeakPolarHBondContact CA-OD2 3.34Å; Q138-D144 HydrophobicContact CB-CB 3.89Å; Q138-V146 VanDerWaalsContact CB-O 3.3Å; Q138-V146 WeakPolarHBondContact CB-O 3.25Å; Q138-T147 WeakPolarHBondContact O-CA 3.39Å; Q138-E148 HydrophobicContact CB-CB 3.82Å; Q138-E148 HydrophobicContact CG-CB 4.03Å; Q138-E148 PolarHBondContact N-O 3.24Å; Q138-E148 PolarHBondContact O-N 3.41Å; Q138-E148 PolarHBondContact OE1-OE2 2.85Å
139D94.8Very high95.4Very high4 Ų443.3 Ų43.32%0.02125%0.25CC..  trans-142.7122.5179-169.3-19.9000110.4L141 K142 D144D139-L141 PolarHBondContact O-N 3.03Å; D139-L141 WeakPolarHBondContact OD1-CB 3.41Å; D139-L141 PolarHBondContact OD1-N 3.21Å; D139-K142 HydrophobicContact CB-CB 4.4Å; D139-K142 HydrophobicContact CB-CD 4.36Å; D139-K142 HydrophobicContact CB-CG 4.1Å; D139-K142 WeakPolarHBondContact O-CA 3.45Å; D139-K142 PolarHBondContact O-N 2.95Å; D139-D144 PolarHBondContact N-OD2 3.21Å; D139-D144 WeakPolarHBondContact O-CB 3.39Å; D139-D144 PolarHBondContact O-N 2.73Å
140T94Very high95.6Very high57 Ų5743 Ų4335%0.3525%0.247SC..G310 helixtrans-60.1-28.1178.347.90000112.5K142 G143 D144 T147T140-K142 PolarHBondContact O-N 2.86Å; T140-G143 PolarHBondContact O-N 3.1Å; T140-G143 VanDerWaalsContact O-N 3.16Å; T140-D144 WeakPolarHBondContact CA-O 3.24Å; T140-T147 PolarHBondContact OG1-OG1 3.14Å
141L92.8Very high95.8Very high34 Ų3442.1 Ų42.118%0.17824%0.243CC..G310 helixtrans-68.9-17.9174.8-70.2178.9000113.2V99 V102 L104 Y113 D139V99-L141 HydrophobicContact CB-CD1 3.86Å; V99-L141 HydrophobicContact CB-CD2 4.09Å; V99-L141 HydrophobicContact CB-CG 3.98Å; V99-L141 HydrophobicContact CG1-CD1 3.44Å; V99-L141 VanDerWaalsContact CG1-CD1 3.44Å; V99-L141 HydrophobicContact CG1-CG 3.92Å; V102-L141 HydrophobicContact CB-CD1 4.46Å; V102-L141 HydrophobicContact CB-CD2 4.18Å; V102-L141 HydrophobicContact CG1-CD1 3.93Å; V102-L141 HydrophobicContact CG1-CD2 4.14Å; V102-L141 WeakPolarHBondContact O-CD2 3.25Å; L104-L141 HydrophobicContact CD1-CB 3.6Å; L104-L141 HydrophobicContact CD1-CD1 4.3Å; L104-L141 HydrophobicContact CG-CB 4.07Å; L104-L141 HydrophobicContact CG-CD1 4.26Å; Y113-L141 HydrophobicContact CD1-CD1 4.06Å; Y113-L141 HydrophobicContact CG-CD1 3.81Å; D139-L141 PolarHBondContact O-N 3.03Å; D139-L141 WeakPolarHBondContact OD1-CB 3.41Å; D139-L141 PolarHBondContact OD1-N 3.21Å
142K92.3Very high95.9Very high92 Ų9245.2 Ų45.240%0.425%0.254SS..G310 helixtrans-98.37.5175.4-58.3-169.4-175.9-154.30112.8L104 S109 L111 D139 T140L104-K142 HydrophobicContact CD1-CG 4.36Å; S109-K142 WeakPolarHBondContact O-CE 3.27Å; S109-K142 PolarHBondContact O-NZ 3.26Å; L111-K142 WeakPolarHBondContact O-CE 3.43Å; L111-K142 PolarHBondContact O-NZ 3Å; D139-K142 HydrophobicContact CB-CB 4.4Å; D139-K142 HydrophobicContact CB-CD 4.36Å; D139-K142 HydrophobicContact CB-CG 4.1Å; D139-K142 WeakPolarHBondContact O-CA 3.45Å; D139-K142 PolarHBondContact O-N 2.95Å; T140-K142 PolarHBondContact O-N 2.86Å
143G90.8Very high95.9Very high71 Ų7147.3 Ų47.373%0.73226%0.262SS*.THydrogen-bonded Turntrans89.27.9179.700000114.8T140T140-G143 PolarHBondContact O-N 3.1Å; T140-G143 VanDerWaalsContact O-N 3.16Å
144D93.3Very high95.8Very high62 Ų6248.9 Ų48.933%0.33227%0.269SS..  trans-71158.4171.4-66.8-56000111.7Q138 D139 T140 V146Q138-D144 VanDerWaalsContact CA-OD2 3.29Å; Q138-D144 WeakPolarHBondContact CA-OD2 3.34Å; Q138-D144 HydrophobicContact CB-CB 3.89Å; D139-D144 PolarHBondContact N-OD2 3.21Å; D139-D144 WeakPolarHBondContact O-CB 3.39Å; D139-D144 PolarHBondContact O-N 2.73Å; T140-D144 WeakPolarHBondContact CA-O 3.24Å; D144-V146 VanDerWaalsContact C-N 3.33Å; D144-V146 PolarHBondContact O-N 2.95Å
145S91.2Very high95.6Very high106 Ų10655.4 Ų55.474%0.74129%0.293SS*.SBendtrans-71.3-27.1-178.756.30000114
146V93.4Very high95.4Very high38 Ų3855.8 Ų55.823%0.2329%0.292CS..SBendtrans-145.4161.6-177.7-64.60000109.7I92 Q138 D144I92-V146 HydrophobicContact CG2-CB 3.93Å; I92-V146 HydrophobicContact CG2-CG1 4.18Å; I92-V146 HydrophobicContact CG2-CG2 4.04Å; Q138-V146 VanDerWaalsContact CB-O 3.3Å; Q138-V146 WeakPolarHBondContact CB-O 3.25Å; D144-V146 VanDerWaalsContact C-N 3.33Å; D144-V146 PolarHBondContact O-N 2.95Å
147T96.7Very high95.2Very high1 Ų156.6 Ų56.61%0.00630%0.297CS..EExtended strand (participates in β ladder)trans-91.4122.7168.1-67.60000109.3I92 L93 F136 Q138 T140I92-T147 WeakPolarHBondContact CA-O 3.43Å; L93-T147 HydrophobicContact CB-CG2 4.11Å; L93-T147 HydrophobicContact CD2-CG2 4.41Å; L93-T147 PolarHBondContact N-O 2.83Å; L93-T147 PolarHBondContact O-N 3.29Å; F136-T147 HydrophobicContact CD1-CG2 4.06Å; F136-T147 HydrophobicContact CE1-CG2 3.55Å; Q138-T147 WeakPolarHBondContact O-CA 3.39Å; T140-T147 PolarHBondContact OG1-OG1 3.14Å
148E97.9Very high94.7Very high16 Ų1660.6 Ų60.68%0.07531%0.311CS..EExtended strand (participates in β ladder)trans-120.5122.7-179.8178.6175.7-172.800110.9N81 S90 L91 I92 F136 V137 Q138N81-E148 PolarHBondContact ND2-OE1 3.45Å; S90-E148 WeakPolarHBondContact CB-OE1 3.28Å; S90-E148 PolarHBondContact OG-OE1 3.17Å; L91-E148 WeakPolarHBondContact O-CA 3.2Å; I92-E148 HydrophobicContact CD1-CB 3.88Å; I92-E148 HydrophobicContact CD1-CG 3.71Å; F136-E148 WeakPolarHBondContact CA-O 3.48Å; V137-E148 HydrophobicContact CB-CG 4.24Å; V137-E148 PolarHBondContact N-O 3.22Å; Q138-E148 HydrophobicContact CB-CB 3.82Å; Q138-E148 HydrophobicContact CG-CB 4.03Å; Q138-E148 PolarHBondContact N-O 3.24Å; Q138-E148 PolarHBondContact O-N 3.41Å; Q138-E148 PolarHBondContact OE1-OE2 2.85Å
149I98.4Very high93.4Very high0 Ų063.2 Ų63.20%033%0.326CS..EExtended strand (participates in β ladder)trans-106.7117.6169.6-58.2174000108.4S90 L91 L93 L117 L121 V134 K135 F136 M151S90-I149 WeakPolarHBondContact CA-O 3.45Å; L91-I149 HydrophobicContact CB-CB 4.35Å; L91-I149 PolarHBondContact N-O 2.71Å; L91-I149 PolarHBondContact O-N 2.9Å; L93-I149 HydrophobicContact CD1-CD1 4Å; L93-I149 HydrophobicContact CD1-CG1 4.29Å; L93-I149 HydrophobicContact CD2-CD1 4.44Å; L117-I149 HydrophobicContact CB-CD1 4.3Å; L117-I149 HydrophobicContact CD1-CD1 4.32Å; L121-I149 HydrophobicContact CD1-CG2 4.28Å; V134-I149 HydrophobicContact CG1-CG2 3.49Å; V134-I149 VanDerWaalsContact CG1-CG2 3.49Å; K135-I149 CarbonylContact O-C 3.47Å; K135-I149 WeakPolarHBondContact O-CA 3.42Å; F136-I149 HydrophobicContact CD1-CG1 4.08Å; F136-I149 HydrophobicContact CD2-CG1 4.5Å; F136-I149 HydrophobicContact CE1-CD1 4.11Å; F136-I149 HydrophobicContact CE1-CG1 3.72Å; F136-I149 HydrophobicContact CE2-CD1 4.24Å; F136-I149 HydrophobicContact CE2-CG1 4.16Å; F136-I149 HydrophobicContact CG-CG1 4.45Å; F136-I149 HydrophobicContact CZ-CD1 3.72Å; F136-I149 HydrophobicContact CZ-CG1 3.75Å; I149-M151 HydrophobicContact CG2-SD 4.44Å
150R98.4Very high91.4Very high41 Ų4170.3 Ų70.316%0.15536%0.364CS..EExtended strand (participates in β ladder)trans-87.6127.5175.1-17470.4176178.20.3110.1N81 E88 S90 V134 K135 V137N81-R150 PolarHBondContact O-NH1 2.68Å; N81-R150 PolarHBondContact O-NH2 3.19Å; E88-R150 IonicContact OE2-CZ 2.7Å; E88-R150 IonicContact OE2-NE 3.84Å; E88-R150 PolarHBondContact OE2-NE 3.49Å; E88-R150 IonicContact OE2-NH2 3.7Å; E88-R150 PolarHBondContact OE2-NH2 3.45Å; S90-R150 WeakPolarHBondContact OG-CD 3.28Å; S90-R150 PolarHBondContact OG-NH1 2.92Å; V134-R150 WeakPolarHBondContact CA-O 3.45Å; K135-R150 HydrophobicContact CG-CB 4.09Å; K135-R150 PolarHBondContact N-O 3.12Å; K135-R150 VanDerWaalsContact N-O 3.08Å; K135-R150 PolarHBondContact O-N 3.4Å; V137-R150 HydrophobicContact CG2-CB 3.47Å; V137-R150 VanDerWaalsContact CG2-CB 3.47Å; V137-R150 HydrophobicContact CG2-CG 4.35Å
151M98.4Very high89.5Confident0 Ų074.6 Ų74.60%038%0.384CS..EExtended strand (participates in β ladder)trans-110.8129.8177.6-61.6-75.5-62.400108.9F57 I64 E88 F89 L91 L121 L125 V134 I149F57-M151 HydrophobicContact CZ-CB 4.15Å; I64-M151 HydrophobicContact CD1-CE 4.11Å; E88-M151 CarbonylContact C-O 3.09Å; E88-M151 WeakPolarHBondContact CA-O 3.38Å; F89-M151 HydrophobicContact CD1-CB 4.03Å; F89-M151 HydrophobicContact CD2-CB 4.2Å; F89-M151 HydrophobicContact CD2-CG 4.26Å; F89-M151 HydrophobicContact CE1-CB 3.71Å; F89-M151 HydrophobicContact CE1-CG 4.24Å; F89-M151 HydrophobicContact CE2-CB 3.89Å; F89-M151 HydrophobicContact CE2-CG 3.64Å; F89-M151 HydrophobicContact CG-CB 4.27Å; F89-M151 HydrophobicContact CZ-CB 3.63Å; F89-M151 HydrophobicContact CZ-CE 4.3Å; F89-M151 HydrophobicContact CZ-CG 3.62Å; F89-M151 PolarHBondContact N-O 3.2Å; F89-M151 PolarHBondContact O-N 3.04Å; L91-M151 HydrophobicContact CD1-CG 4.14Å; L91-M151 HydrophobicContact CD1-SD 4.4Å; L91-M151 HydrophobicContact CG-CG 4.41Å; L121-M151 HydrophobicContact CB-CE 4.45Å; L121-M151 HydrophobicContact CB-SD 4.4Å; L121-M151 HydrophobicContact CD1-SD 3.87Å; L125-M151 HydrophobicContact CD1-CE 3.46Å; L125-M151 VanDerWaalsContact CD1-CE 3.46Å; V134-M151 HydrophobicContact CB-SD 4.14Å; V134-M151 HydrophobicContact CG1-SD 3.55Å; V134-M151 VanDerWaalsContact CG1-SD 3.55Å; V134-M151 HydrophobicContact CG2-CE 3.91Å; V134-M151 HydrophobicContact CG2-SD 3.5Å; V134-M151 VanDerWaalsContact CG2-SD 3.5Å; I149-M151 HydrophobicContact CG2-SD 4.44Å
152K98.3Very high87.7Confident78 Ų7878.5 Ų78.534%0.33941%0.412SS..EExtended strand (participates in β ladder)trans-130.1124.1175.1170171.7-163.2143.40110.7D87 E88 V132 D133D87-K152 CarbonylContact O-C 3.57Å; D87-K152 WeakPolarHBondContact O-CA 3.38Å; E88-K152 HydrophobicContact CG-CB 3.77Å; E88-K152 HydrophobicContact CG-CD 4.1Å; E88-K152 HydrophobicContact CG-CG 3.72Å; E88-K152 WeakPolarHBondContact OE1-CD 3.43Å; E88-K152 WeakPolarHBondContact OE1-CE 3.34Å; E88-K152 IonicContact OE1-NZ 2.71Å; E88-K152 PolarHBondContact OE1-NZ 3.31Å; V132-K152 CarbonylContact C-O 3.55Å; V132-K152 WeakPolarHBondContact CA-O 3.44Å; V132-K152 WeakPolarHBondContact CB-O 3.13Å; D133-K152 HydrophobicContact CB-CB 4.21Å; D133-K152 PolarHBondContact N-O 3.47Å; D133-K152 PolarHBondContact O-N 3.34Å
153F97.6Very high86Confident55 Ų5578.7 Ų78.724%0.24143%0.43CS..EExtended strand (participates in β ladder)trans-70.8127.8168.5178.9-101.1000110.2F57 D87 M130 R155 R156F57-F153 HydrophobicContact CD1-CB 3.87Å; F57-F153 HydrophobicContact CD2-CB 4.32Å; F57-F153 HydrophobicContact CE1-CB 3.83Å; F57-F153 HydrophobicContact CE2-CB 4.3Å; F57-F153 HydrophobicContact CG-CB 4.12Å; F57-F153 HydrophobicContact CZ-CB 4.05Å; D87-F153 HydrophobicContact CB-CB 4.36Å; D87-F153 WeakPolarHBondContact O-CB 3.36Å; D87-F153 PolarHBondContact O-N 3.26Å; M130-F153 HydrophobicContact CG-CE2 4.39Å; F153-R155 WeakPolarHBondContact CE2-O 3.45Å; F153-R156 HydrophobicContact CE2-CG 4.14Å; F153-R156 HydrophobicContact CZ-CG 3.78Å
154I96.8Very high84.3Confident100 Ų10078.6 Ų78.651%0.51343%0.429SS..EExtended strand (participates in β ladder)trans-98.8-57.1178.2-56.2173.9000109.3A131 D133A131-I154 HydrophobicContact CB-CB 4.32Å; A131-I154 WeakPolarHBondContact O-CB 3.3Å; A131-I154 PolarHBondContact O-N 2.94Å; D133-I154 HydrophobicContact CB-CD1 4.08Å; D133-I154 HydrophobicContact CB-CG1 4.35Å
155R95.1Very high82.2Confident141 Ų14185.2 Ų85.253%0.53246%0.458SS..EExtended strand (participates in β ladder)trans-166.7162.9-177.760.1-177.6-179.984.41.8110.9A131 F153A131-R155 HydrophobicContact CB-CG 3.87Å; A131-R155 WeakPolarHBondContact CB-O 3.35Å; A131-R155 PolarHBondContact N-O 3.47Å; A131-R155 PolarHBondContact O-N 3.27Å; F153-R155 WeakPolarHBondContact CE2-O 3.45Å
156R93.1Very high79.8Confident117 Ų11792.9 Ų92.944%0.44248%0.482SS..EExtended strand (participates in β ladder)trans-77.8142.6161.4-68.7-149.5176.5-170.20109.6H55 Q129 F153H55-R156 PolarHBondContact O-NH2 3.33Å; Q129-R156 WeakPolarHBondContact O-CA 3.09Å; F153-R156 HydrophobicContact CE2-CG 4.14Å; F153-R156 HydrophobicContact CZ-CG 3.78Å
157I92.8Very high79.1Confident43 Ų4395.6 Ų95.622%0.22150%0.495CS..PPolyproline II helixtrans-88.4123.1174.2-56.6171.7000106.4E126 Q129 A131E126-I157 HydrophobicContact CB-CD1 4.46Å; E126-I157 HydrophobicContact CG-CD1 3.71Å; Q129-I157 HydrophobicContact CB-CB 4.39Å; Q129-I157 PolarHBondContact O-N 3.34Å; A131-I157 HydrophobicContact CB-CD1 4.14Å; A131-I157 HydrophobicContact CB-CG1 3.97Å
158E86.1Confident78.2Confident162 Ų162100.6 Ų100.676%0.75752%0.521SS*.PPolyproline II helixtrans-86131.1174.5-65.1179.3173.400108.5N160E158-N160 PolarHBondContact O-N 3.28Å
159D68.6Low77.1Confident110 Ų110105.3 Ų105.359%0.58855%0.545SS*.  trans-71.399.9168.6-71.4-27.2000107.4Q129 L161Q129-D159 PolarHBondContact NE2-OD2 3.05Å; D159-L161 PolarHBondContact O-N 3.14Å
160N52.4Low75.8Confident152 Ų152111.5 Ų111.581%0.81358%0.577SS**  trans-69.681.4161.1-90.2-0.9000107.5E158 P162E158-N160 PolarHBondContact O-N 3.28Å; N160-P162 WeakPolarHBondContact O-CD 3.37Å
161L55.8Low74.4Confident148 Ų148115.9 Ų115.978%0.77560%0.604SS**PPolyproline II helixtrans-60.2121.7156.4-72.5163.9000105.9D159 A163D159-L161 PolarHBondContact O-N 3.14Å; L161-A163 PolarHBondContact O-N 2.96Å; L161-A163 VanDerWaalsContact O-N 3.17Å
162P54.6Low72.8Confident116 Ų116123.6 Ų123.675%0.75364%0.644SS**PPolyproline II helixtrans-54.2129.5165.522.6-29.1000106.3N160 G164N160-P162 WeakPolarHBondContact O-CD 3.37Å; P162-G164 PolarHBondContact O-N 3.36Å
163A55.9Low71Confident96 Ų96126.9 Ų126.979%0.79367%0.666SS**PPolyproline II helixtrans-47.1117.9175.400000106.9L161 E165L161-A163 PolarHBondContact O-N 2.96Å; L161-A163 VanDerWaalsContact O-N 3.17Å; A163-E165 PolarHBondContact O-N 3.22Å
164G55.2Low68.9Low69 Ų69132.4 Ų132.471%0.71170%0.698SS**PPolyproline II helixtrans-49.9130.9178.200000108.3P162 E166P162-G164 PolarHBondContact O-N 3.36Å; G164-E166 VanDerWaalsContact C-N 3.34Å; G164-E166 PolarHBondContact O-N 2.97Å
165E48.4Very low66.6Low201 Ų201135.1 Ų135.194%0.93971%0.714SS**  trans-58.6105.6162.3-66.4-177.5161.500106A163A163-E165 PolarHBondContact O-N 3.22Å
166E41.1Very low64Low266 Ų266134.5 Ų134.5100%1.24373%0.73SS**  trans-61.50163-73.8-170.6162.600110.6G164G164-E166 VanDerWaalsContact C-N 3.34Å; G164-E166 PolarHBondContact O-N 2.97Å

Retrieved 166 of 166 residues in 44.5 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).