A0A077ZC33_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZC33, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 216 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
1M59.3Low74.6Confident202 Ų20296.1 Ų96.1100%0.99552%0.523SS*.  0-49.60-74.4-170.4-124.300113.1K3 T4 T5M1-K3 PolarHBondContact O-N 2.84Å; M1-T4 PolarHBondContact O-N 3.38Å; M1-T4 PolarHBondContact O-OG1 2.72Å; M1-T5 PolarHBondContact O-N 3.18Å; M1-T5 VanDerWaalsContact O-N 3.16Å; M1-T5 PolarHBondContact O-OG1 2.93Å; M1-T5 VanDerWaalsContact O-OG1 3.12Å
2A62.6Low75.5Confident85 Ų8591.6 Ų91.670%0.70252%0.516SS*.Hα-helixtrans-57.4-44.2-178.900000114.1T4 T5 A6A2-T4 PolarHBondContact O-N 3.47Å; A2-T5 PolarHBondContact O-N 3.44Å; A2-A6 PolarHBondContact O-N 3.32Å
3K66.5Low76.5Confident145 Ų14589.2 Ų89.263%0.6350%0.496SS*.Hα-helixtrans-60.4-46.4179.3-171.3177.7177.8-1770113M1 T5 A6 E7M1-K3 PolarHBondContact O-N 2.84Å; K3-T5 VanDerWaalsContact C-N 3.31Å; K3-T5 PolarHBondContact O-N 2.88Å; K3-A6 PolarHBondContact O-N 2.94Å; K3-E7 WeakPolarHBondContact CE-OE1 3.12Å; K3-E7 WeakPolarHBondContact O-CG 3.46Å; K3-E7 PolarHBondContact O-N 3.37Å
4T75.2Confident77.1Confident77 Ų7783.7 Ų83.747%0.47247%0.466SS..Hα-helixtrans-66-32.8178.746.70000112.6M1 A2 K8M1-T4 PolarHBondContact O-N 3.38Å; M1-T4 PolarHBondContact O-OG1 2.72Å; A2-T4 PolarHBondContact O-N 3.47Å; T4-K8 WeakPolarHBondContact O-CG 3.18Å; T4-K8 PolarHBondContact O-N 3.02Å
5T78.3Confident77.8Confident87 Ų8781.6 Ų81.653%0.53446%0.463SS..Hα-helixtrans-71.8-42.3175.6-54.40000111.1M1 A2 K3 K8 L9M1-T5 PolarHBondContact O-N 3.18Å; M1-T5 VanDerWaalsContact O-N 3.16Å; M1-T5 PolarHBondContact O-OG1 2.93Å; M1-T5 VanDerWaalsContact O-OG1 3.12Å; A2-T5 PolarHBondContact O-N 3.44Å; K3-T5 VanDerWaalsContact C-N 3.31Å; K3-T5 PolarHBondContact O-N 2.88Å; T5-K8 PolarHBondContact O-N 3.02Å; T5-L9 VanDerWaalsContact O-CB 3.29Å; T5-L9 WeakPolarHBondContact O-CB 3.49Å; T5-L9 PolarHBondContact O-N 3.04Å
6A74.5Confident78.7Confident24 Ų2478.8 Ų78.820%0.19845%0.453CS..Hα-helixtrans-62-43.8176.200000111.9A2 K3 K8 L9 V10 I188A2-A6 PolarHBondContact O-N 3.32Å; K3-A6 PolarHBondContact O-N 2.94Å; A6-K8 PolarHBondContact O-N 2.9Å; A6-L9 PolarHBondContact O-N 2.68Å; A6-V10 WeakPolarHBondContact O-CB 3.28Å; A6-V10 VanDerWaalsContact O-CG2 3.3Å; A6-V10 WeakPolarHBondContact O-CG2 3.33Å; A6-V10 PolarHBondContact O-N 3.47Å; A6-I188 HydrophobicContact CB-CG2 4.47Å
7E75.2Confident79.4Confident107 Ų10774.2 Ų74.250%0.543%0.427SS..Hα-helixtrans-62.2-42.5176.5-72.9168.3178.700112.2K3 L9 S11K3-E7 WeakPolarHBondContact CE-OE1 3.12Å; K3-E7 WeakPolarHBondContact O-CG 3.46Å; K3-E7 PolarHBondContact O-N 3.37Å; E7-L9 VanDerWaalsContact C-N 3.34Å; E7-L9 PolarHBondContact O-N 3.49Å; E7-S11 WeakPolarHBondContact O-CB 3.49Å; E7-S11 PolarHBondContact O-N 3.49Å
8K81.6Confident80Confident165 Ų16572.1 Ų72.172%0.71741%0.414SS*.Hα-helixtrans-63.5-40.3174.8-76.3-178.6-179.7-173.40112.3T4 T5 A6 S11 G12T4-K8 WeakPolarHBondContact O-CG 3.18Å; T4-K8 PolarHBondContact O-N 3.02Å; T5-K8 PolarHBondContact O-N 3.02Å; A6-K8 PolarHBondContact O-N 2.9Å; K8-S11 PolarHBondContact O-N 2.99Å; K8-G12 PolarHBondContact O-N 3.01Å
9L83.8Confident80.7Confident76 Ų7672.5 Ų72.540%0.39842%0.42SS..Hα-helixtrans-69.9-42.7-179.1-176.2144.3000111.5T5 A6 E7 G12 F13 I188T5-L9 VanDerWaalsContact O-CB 3.29Å; T5-L9 WeakPolarHBondContact O-CB 3.49Å; T5-L9 PolarHBondContact O-N 3.04Å; A6-L9 PolarHBondContact O-N 2.68Å; E7-L9 VanDerWaalsContact C-N 3.34Å; E7-L9 PolarHBondContact O-N 3.49Å; L9-G12 PolarHBondContact O-N 2.97Å; L9-F13 HydrophobicContact CD2-CD2 3.62Å; L9-F13 HydrophobicContact CD2-CE2 3.17Å; L9-F13 HydrophobicContact CD2-CZ 3.9Å; L9-F13 HydrophobicContact CG-CD2 4.35Å; L9-F13 HydrophobicContact CG-CE2 3.92Å; L9-F13 HydrophobicContact CG-CZ 4.22Å; L9-F13 WeakPolarHBondContact O-CG 3.16Å; L9-F13 PolarHBondContact O-N 3.46Å; L9-I188 HydrophobicContact CD2-CD1 3.46Å; L9-I188 VanDerWaalsContact CD2-CD1 3.46Å; L9-I188 HydrophobicContact CD2-CG2 4.47Å
10V81.9Confident81.4Confident16 Ų1670.6 Ų70.610%0.09741%0.408CS..Hα-helixtrans-61.4-43.2172.2171.70000110.9A6 G12 F13 I14 H116 I188A6-V10 WeakPolarHBondContact O-CB 3.28Å; A6-V10 VanDerWaalsContact O-CG2 3.3Å; A6-V10 WeakPolarHBondContact O-CG2 3.33Å; A6-V10 PolarHBondContact O-N 3.47Å; V10-G12 PolarHBondContact O-N 2.79Å; V10-F13 PolarHBondContact O-N 2.91Å; V10-I14 HydrophobicContact CG1-CD1 3.83Å; V10-I14 HydrophobicContact CG1-CG1 4.39Å; V10-I14 VanDerWaalsContact O-CG1 3.28Å; V10-I14 WeakPolarHBondContact O-CG1 3.42Å; V10-I14 PolarHBondContact O-N 3.33Å; V10-H116 WeakPolarHBondContact CG1-NE2 3.42Å; V10-I188 HydrophobicContact CG2-CG2 4.04Å
11S81.1Confident82Confident73 Ų7367.2 Ų67.251%0.5139%0.389SS..Hα-helixtrans-59.9-43.7175.4-177.10000112.6E7 K8 F13 I14 A15E7-S11 WeakPolarHBondContact O-CB 3.49Å; E7-S11 PolarHBondContact O-N 3.49Å; K8-S11 PolarHBondContact O-N 2.99Å; S11-F13 PolarHBondContact O-N 2.87Å; S11-I14 PolarHBondContact O-N 2.94Å; S11-A15 PolarHBondContact O-N 2.86Å
12G86Confident83.7Confident42 Ų4260.6 Ų60.643%0.43336%0.36SS..Hα-helixtrans-62.2-40.8175.100000112.9K8 L9 V10 A15 A16K8-G12 PolarHBondContact O-N 3.01Å; L9-G12 PolarHBondContact O-N 2.97Å; V10-G12 PolarHBondContact O-N 2.79Å; G12-A15 PolarHBondContact O-N 2.75Å; G12-A16 PolarHBondContact O-N 3.35Å
13F88.3Confident85.2Confident60 Ų6060.3 Ų60.326%0.26335%0.346SS..Hα-helixtrans-68.5-38.9175.6-70.5-30.3000113.1L9 V10 S11 A15 A16 C17 L181 C185 I188L9-F13 HydrophobicContact CD2-CD2 3.62Å; L9-F13 HydrophobicContact CD2-CE2 3.17Å; L9-F13 HydrophobicContact CD2-CZ 3.9Å; L9-F13 HydrophobicContact CG-CD2 4.35Å; L9-F13 HydrophobicContact CG-CE2 3.92Å; L9-F13 HydrophobicContact CG-CZ 4.22Å; L9-F13 WeakPolarHBondContact O-CG 3.16Å; L9-F13 PolarHBondContact O-N 3.46Å; V10-F13 PolarHBondContact O-N 2.91Å; S11-F13 PolarHBondContact O-N 2.87Å; F13-A15 VanDerWaalsContact C-N 3.29Å; F13-A15 PolarHBondContact O-N 2.92Å; F13-A16 WeakPolarHBondContact O-CB 3.49Å; F13-A16 PolarHBondContact O-N 3.48Å; F13-A16 VanDerWaalsContact O-N 3.12Å; F13-C17 PolarHBondContact O-N 2.88Å; F13-C17 PolarHBondContact O-SG 3.39Å; F13-L181 HydrophobicContact CD1-CD2 4.07Å; F13-L181 HydrophobicContact CE1-CD2 4.35Å; F13-C185 WeakPolarHBondContact CB-SG 3.32Å; F13-I188 HydrophobicContact CD2-CD1 4.37Å; F13-I188 HydrophobicContact CE2-CD1 3.81Å
14I84.4Confident86.6Confident13 Ų1353.4 Ų53.47%0.06732%0.316CS..Hα-helixtrans-58.8-44.1173-68.3159.4000110.4V10 S11 A16 C17 L18 S105 S108V10-I14 HydrophobicContact CG1-CD1 3.83Å; V10-I14 HydrophobicContact CG1-CG1 4.39Å; V10-I14 VanDerWaalsContact O-CG1 3.28Å; V10-I14 WeakPolarHBondContact O-CG1 3.42Å; V10-I14 PolarHBondContact O-N 3.33Å; S11-I14 PolarHBondContact O-N 2.94Å; I14-A16 VanDerWaalsContact C-N 3.29Å; I14-A16 PolarHBondContact O-N 3.4Å; I14-C17 PolarHBondContact O-N 3.04Å; I14-L18 HydrophobicContact CG2-CD1 4.24Å; I14-L18 WeakPolarHBondContact O-CG 3.42Å; I14-L18 PolarHBondContact O-N 2.95Å; I14-S105 WeakPolarHBondContact CG2-O 3.47Å; I14-S108 VanDerWaalsContact CD1-OG 3.29Å; I14-S108 WeakPolarHBondContact CD1-OG 3.41Å
15A87.9Confident87.6Confident52 Ų5250.9 Ų50.943%0.4330%0.299SS..Hα-helixtrans-61.3-39.9176.500000111.8S11 G12 F13 L18 C19S11-A15 PolarHBondContact O-N 2.86Å; G12-A15 PolarHBondContact O-N 2.75Å; F13-A15 VanDerWaalsContact C-N 3.29Å; F13-A15 PolarHBondContact O-N 2.92Å; A15-L18 PolarHBondContact O-N 3.02Å; A15-C19 PolarHBondContact O-N 3.16Å; A15-C19 VanDerWaalsContact O-N 3.12Å; A15-C19 PolarHBondContact O-SG 2.98Å
16A91.9Very high88.4Confident37 Ų3751.7 Ų51.731%0.30630%0.3SS..Hα-helixtrans-64.6-45174.600000112.3G12 F13 I14 L18 C19 L20 L181G12-A16 PolarHBondContact O-N 3.35Å; F13-A16 WeakPolarHBondContact O-CB 3.49Å; F13-A16 PolarHBondContact O-N 3.48Å; F13-A16 VanDerWaalsContact O-N 3.12Å; I14-A16 VanDerWaalsContact C-N 3.29Å; I14-A16 PolarHBondContact O-N 3.4Å; A16-L18 PolarHBondContact O-N 3.36Å; A16-C19 PolarHBondContact O-N 3.23Å; A16-L20 VanDerWaalsContact O-CG 3.27Å; A16-L20 WeakPolarHBondContact O-CG 3.07Å; A16-L20 PolarHBondContact O-N 3.14Å; A16-L181 HydrophobicContact CB-CD1 4Å
17C90.5Very high89.4Confident0 Ų051.2 Ų51.20%030%0.295CS..Hα-helixtrans-55.9-49.3174.6-65.10000111.2F13 I14 C19 L20 D21 L181 H182F13-C17 PolarHBondContact O-N 2.88Å; F13-C17 PolarHBondContact O-SG 3.39Å; I14-C17 PolarHBondContact O-N 3.04Å; C17-C19 VanDerWaalsContact C-N 3.29Å; C17-C19 PolarHBondContact O-N 2.99Å; C17-L20 PolarHBondContact O-N 2.72Å; C17-L20 VanDerWaalsContact O-N 3.08Å; C17-D21 VanDerWaalsContact O-CG 3.27Å; C17-D21 PolarHBondContact O-N 3.15Å; C17-L181 WeakPolarHBondContact SG-CB 3.36Å; C17-H182 WeakPolarHBondContact CB-NE2 3.33Å; C17-H182 VanDerWaalsContact SG-CD2 3.6Å
18L90.6Very high90.3Very high37 Ų3746.1 Ų46.119%0.19427%0.271CS..Hα-helixtrans-56.7-42.3177.9-72.9173.6000112.5I14 A15 A16 T22 I102 S105 K106I14-L18 HydrophobicContact CG2-CD1 4.24Å; I14-L18 WeakPolarHBondContact O-CG 3.42Å; I14-L18 PolarHBondContact O-N 2.95Å; A15-L18 PolarHBondContact O-N 3.02Å; A16-L18 PolarHBondContact O-N 3.36Å; L18-T22 WeakPolarHBondContact O-CB 3.34Å; L18-T22 PolarHBondContact O-N 3.37Å; L18-T22 VanDerWaalsContact O-N 3.09Å; L18-T22 PolarHBondContact O-OG1 3.22Å; L18-I102 HydrophobicContact CD2-CB 4.29Å; L18-I102 HydrophobicContact CD2-CG1 4.39Å; L18-I102 HydrophobicContact CD2-CG2 3.96Å; L18-S105 VanDerWaalsContact CD2-CB 3.45Å; L18-K106 HydrophobicContact CD1-CG 4.26Å; L18-K106 HydrophobicContact CD2-CG 4.14Å
19C93.9Very high90.9Very high79 Ų7940 Ų4053%0.53425%0.251SS..Hα-helixtrans-65.7-45.6175.9-72.80000111.7A15 A16 C17 T22 I23A15-C19 PolarHBondContact O-N 3.16Å; A15-C19 VanDerWaalsContact O-N 3.12Å; A15-C19 PolarHBondContact O-SG 2.98Å; A16-C19 PolarHBondContact O-N 3.23Å; C17-C19 VanDerWaalsContact C-N 3.29Å; C17-C19 PolarHBondContact O-N 2.99Å; C19-T22 PolarHBondContact O-N 3.06Å; C19-I23 WeakPolarHBondContact O-CB 3.47Å; C19-I23 WeakPolarHBondContact O-CD1 3.05Å; C19-I23 WeakPolarHBondContact O-CG1 3.4Å; C19-I23 PolarHBondContact O-N 2.97Å
20L94.6Very high91.3Very high35 Ų3539.9 Ų39.918%0.18325%0.253CS..Hα-helixtrans-63.1-46.4180-68.5168.5000111.7A16 C17 T22 I23 A24 F174 A177 L181A16-L20 VanDerWaalsContact O-CG 3.27Å; A16-L20 WeakPolarHBondContact O-CG 3.07Å; A16-L20 PolarHBondContact O-N 3.14Å; C17-L20 PolarHBondContact O-N 2.72Å; C17-L20 VanDerWaalsContact O-N 3.08Å; L20-T22 VanDerWaalsContact C-N 3.32Å; L20-T22 PolarHBondContact O-N 3Å; L20-I23 PolarHBondContact O-N 3.45Å; L20-A24 VanDerWaalsContact O-CB 3.32Å; L20-A24 WeakPolarHBondContact O-CB 3.19Å; L20-A24 PolarHBondContact O-N 2.9Å; L20-F174 HydrophobicContact CD2-CD1 3.66Å; L20-F174 HydrophobicContact CD2-CE1 4.27Å; L20-A177 HydrophobicContact CD1-CB 4.18Å; L20-L181 HydrophobicContact CD1-CD1 3.46Å; L20-L181 VanDerWaalsContact CD1-CD1 3.46Å
21D93.3Very high91.8Very high0 Ų039.1 Ų39.10%025%0.248CC..Hα-helixtrans-62.9-41.1178.1-63.9-26.8000111.2C17 A24 I25 I102 F175 S178C17-D21 VanDerWaalsContact O-CG 3.27Å; C17-D21 PolarHBondContact O-N 3.15Å; D21-A24 WeakPolarHBondContact O-CB 2.84Å; D21-A24 PolarHBondContact O-N 2.7Å; D21-I25 WeakPolarHBondContact O-CB 3.39Å; D21-I25 WeakPolarHBondContact O-CD1 3.2Å; D21-I25 WeakPolarHBondContact O-CG1 3.44Å; D21-I25 PolarHBondContact O-N 3.13Å; D21-I102 HydrophobicContact CB-CD1 4.28Å; D21-I102 HydrophobicContact CB-CG1 3.91Å; D21-F175 HydrophobicContact CB-CE1 4.35Å; D21-S178 VanDerWaalsContact CG-OG 3.31Å; D21-S178 WeakPolarHBondContact OD1-CB 3.29Å; D21-S178 PolarHBondContact OD1-OG 3.21Å; D21-S178 PolarHBondContact OD2-OG 3.09Å
22T94.5Very high92.2Very high63 Ų6338.1 Ų38.139%0.38724%0.237SC..Hα-helixtrans-63.6-45.5177.3-56.70000111L18 C19 L20 A24 I25 L26L18-T22 WeakPolarHBondContact O-CB 3.34Å; L18-T22 PolarHBondContact O-N 3.37Å; L18-T22 VanDerWaalsContact O-N 3.09Å; L18-T22 PolarHBondContact O-OG1 3.22Å; C19-T22 PolarHBondContact O-N 3.06Å; L20-T22 VanDerWaalsContact C-N 3.32Å; L20-T22 PolarHBondContact O-N 3Å; T22-A24 VanDerWaalsContact C-N 3.32Å; T22-A24 PolarHBondContact O-N 3.2Å; T22-I25 PolarHBondContact O-N 3.37Å; T22-L26 HydrophobicContact CG2-CD1 4.17Å; T22-L26 WeakPolarHBondContact O-CB 3.35Å; T22-L26 VanDerWaalsContact O-CG 3.3Å; T22-L26 WeakPolarHBondContact O-CG 3.32Å; T22-L26 PolarHBondContact O-N 3.06Å
23I96.1Very high92.4Very high79 Ų7942 Ų4241%0.40525%0.252SS..Hα-helixtrans-64.1-40.4176.6-66.3165000110.2C19 L20 L26 S27 F174C19-I23 WeakPolarHBondContact O-CB 3.47Å; C19-I23 WeakPolarHBondContact O-CD1 3.05Å; C19-I23 WeakPolarHBondContact O-CG1 3.4Å; C19-I23 PolarHBondContact O-N 2.97Å; L20-I23 PolarHBondContact O-N 3.45Å; I23-L26 PolarHBondContact O-N 3.23Å; I23-S27 VanDerWaalsContact O-CB 3.29Å; I23-S27 WeakPolarHBondContact O-CB 3.47Å; I23-S27 PolarHBondContact O-N 2.96Å; I23-F174 HydrophobicContact CG2-CD2 3.68Å; I23-F174 HydrophobicContact CG2-CE1 4.43Å; I23-F174 HydrophobicContact CG2-CE2 3.47Å; I23-F174 VanDerWaalsContact CG2-CE2 3.47Å; I23-F174 HydrophobicContact CG2-CG 4.27Å; I23-F174 HydrophobicContact CG2-CZ 3.88Å
24A95.2Very high92.2Very high0 Ų041.3 Ų41.30%025%0.253CS..Hα-helixtrans-59.1-50.7177.300000111.6L20 D21 T22 L26 S27 I28 G171 F174 F175L20-A24 VanDerWaalsContact O-CB 3.32Å; L20-A24 WeakPolarHBondContact O-CB 3.19Å; L20-A24 PolarHBondContact O-N 2.9Å; D21-A24 WeakPolarHBondContact O-CB 2.84Å; D21-A24 PolarHBondContact O-N 2.7Å; T22-A24 VanDerWaalsContact C-N 3.32Å; T22-A24 PolarHBondContact O-N 3.2Å; A24-L26 PolarHBondContact O-N 3.11Å; A24-S27 PolarHBondContact O-N 3.42Å; A24-I28 WeakPolarHBondContact O-CG1 3.42Å; A24-I28 PolarHBondContact O-N 2.85Å; A24-G171 WeakPolarHBondContact CB-O 3Å; A24-F174 HydrophobicContact CB-CB 3.7Å; A24-F175 HydrophobicContact CB-CD1 3.72Å; A24-F175 HydrophobicContact CB-CD2 3.93Å; A24-F175 HydrophobicContact CB-CE1 3.7Å; A24-F175 HydrophobicContact CB-CE2 3.95Å; A24-F175 HydrophobicContact CB-CG 3.82Å; A24-F175 HydrophobicContact CB-CZ 3.82Å
25I94.9Very high92Very high23 Ų2346.3 Ų46.312%0.11829%0.286CS..Hα-helixtrans-59.7-47178.2-68.5161.6000110.7D21 T22 S27 I28 A29 I95 V99 I102 F175D21-I25 WeakPolarHBondContact O-CB 3.39Å; D21-I25 WeakPolarHBondContact O-CD1 3.2Å; D21-I25 WeakPolarHBondContact O-CG1 3.44Å; D21-I25 PolarHBondContact O-N 3.13Å; T22-I25 PolarHBondContact O-N 3.37Å; I25-S27 VanDerWaalsContact C-N 3.34Å; I25-S27 PolarHBondContact O-N 2.89Å; I25-I28 PolarHBondContact O-N 2.86Å; I25-A29 VanDerWaalsContact O-CB 3.25Å; I25-A29 WeakPolarHBondContact O-CB 3.34Å; I25-A29 PolarHBondContact O-N 3.48Å; I25-I95 HydrophobicContact CG2-CG2 4.15Å; I25-V99 HydrophobicContact CD1-CG2 3.96Å; I25-I102 HydrophobicContact CD1-CD1 3.52Å; I25-F175 HydrophobicContact CG1-CE1 4.3Å; I25-F175 HydrophobicContact CG1-CZ 3.86Å
26L95.9Very high91.7Very high105 Ų10548.1 Ų48.155%0.5529%0.288SS..Hα-helixtrans-62.6-42.2178.4-72173.4000111.6T22 I23 A24 I28 A29 V30T22-L26 HydrophobicContact CG2-CD1 4.17Å; T22-L26 WeakPolarHBondContact O-CB 3.35Å; T22-L26 VanDerWaalsContact O-CG 3.3Å; T22-L26 WeakPolarHBondContact O-CG 3.32Å; T22-L26 PolarHBondContact O-N 3.06Å; I23-L26 PolarHBondContact O-N 3.23Å; A24-L26 PolarHBondContact O-N 3.11Å; L26-I28 PolarHBondContact O-N 2.88Å; L26-A29 PolarHBondContact O-N 3.23Å; L26-V30 WeakPolarHBondContact O-CB 3.17Å; L26-V30 VanDerWaalsContact O-CG2 3.25Å; L26-V30 WeakPolarHBondContact O-CG2 3.35Å; L26-V30 PolarHBondContact O-N 3.27Å
27S95.2Very high91.5Very high14 Ų1447.8 Ų47.810%0.09828%0.279CS..Hα-helixtrans-61.2-44.4178.1-1590000111.7I23 A24 I25 S31 F167I23-S27 VanDerWaalsContact O-CB 3.29Å; I23-S27 WeakPolarHBondContact O-CB 3.47Å; I23-S27 PolarHBondContact O-N 2.96Å; A24-S27 PolarHBondContact O-N 3.42Å; I25-S27 VanDerWaalsContact C-N 3.34Å; I25-S27 PolarHBondContact O-N 2.89Å; S27-S31 WeakPolarHBondContact O-CB 3.43Å; S27-S31 PolarHBondContact O-N 3.22Å; S27-F167 PolarHBondContact OG-O 3.29Å
28I93.9Very high91.2Very high0 Ų049.9 Ų49.90%029%0.289CS..Hα-helixtrans-69.8-41.9177.5-63165.1000110.8A24 I25 L26 V30 S31 L32 L91 I95 T130 F175A24-I28 WeakPolarHBondContact O-CG1 3.42Å; A24-I28 PolarHBondContact O-N 2.85Å; I25-I28 PolarHBondContact O-N 2.86Å; L26-I28 PolarHBondContact O-N 2.88Å; I28-V30 PolarHBondContact O-N 3.22Å; I28-S31 VanDerWaalsContact O-CB 3.32Å; I28-S31 WeakPolarHBondContact O-CB 3.3Å; I28-S31 PolarHBondContact O-N 3.27Å; I28-L32 HydrophobicContact CG2-CD1 4.26Å; I28-L32 HydrophobicContact CG2-CG 4.46Å; I28-L32 WeakPolarHBondContact O-CG 3.34Å; I28-L32 PolarHBondContact O-N 3.37Å; I28-L91 HydrophobicContact CG2-CB 4.27Å; I28-L91 HydrophobicContact CG2-CD2 4.22Å; I28-I95 HydrophobicContact CB-CG1 4.36Å; I28-I95 HydrophobicContact CG2-CD1 3.97Å; I28-I95 HydrophobicContact CG2-CG1 3.93Å; I28-T130 HydrophobicContact CD1-CG2 3.76Å; I28-T130 HydrophobicContact CG1-CG2 4.23Å; I28-F175 HydrophobicContact CD1-CD2 4.02Å; I28-F175 HydrophobicContact CD1-CE2 3.45Å; I28-F175 VanDerWaalsContact CD1-CE2 3.45Å; I28-F175 HydrophobicContact CD1-CZ 4.42Å
29A94.7Very high90.5Very high36 Ų3649.9 Ų49.930%0.29829%0.29SS..Hα-helixtrans-61.6-45.1177.800000111.8I25 L26 S31 L32 V33 I95I25-A29 VanDerWaalsContact O-CB 3.25Å; I25-A29 WeakPolarHBondContact O-CB 3.34Å; I25-A29 PolarHBondContact O-N 3.48Å; L26-A29 PolarHBondContact O-N 3.23Å; A29-S31 VanDerWaalsContact C-N 3.31Å; A29-S31 PolarHBondContact O-N 3.2Å; A29-L32 PolarHBondContact O-N 3.17Å; A29-V33 WeakPolarHBondContact O-CG2 3.47Å; A29-V33 PolarHBondContact O-N 3.21Å; A29-V33 VanDerWaalsContact O-N 3.14Å; A29-I95 HydrophobicContact CB-CD1 4.46Å
30V93.2Very high89.6Confident73 Ų7348.5 Ų48.544%0.44228%0.279SS..Hα-helixtrans-62.4-40.7174.4171.40000110.7L26 I28 L32 V33 T34L26-V30 WeakPolarHBondContact O-CB 3.17Å; L26-V30 VanDerWaalsContact O-CG2 3.25Å; L26-V30 WeakPolarHBondContact O-CG2 3.35Å; L26-V30 PolarHBondContact O-N 3.27Å; I28-V30 PolarHBondContact O-N 3.22Å; V30-L32 VanDerWaalsContact C-N 3.32Å; V30-L32 PolarHBondContact O-N 3.16Å; V30-V33 PolarHBondContact O-N 3.1Å; V30-T34 HydrophobicContact CG1-CG2 4.31Å; V30-T34 WeakPolarHBondContact O-CB 3.31Å; V30-T34 WeakPolarHBondContact O-CG2 3.25Å; V30-T34 PolarHBondContact O-N 2.96Å; V30-T34 PolarHBondContact O-OG1 3.46Å
31S91.5Very high88.6Confident0 Ų049.2 Ų49.20%029%0.285CS..Hα-helixtrans-59.4-41.2174.4-176.40000112.6S27 I28 A29 T34 W37 S164 A168S27-S31 WeakPolarHBondContact O-CB 3.43Å; S27-S31 PolarHBondContact O-N 3.22Å; I28-S31 VanDerWaalsContact O-CB 3.32Å; I28-S31 WeakPolarHBondContact O-CB 3.3Å; I28-S31 PolarHBondContact O-N 3.27Å; A29-S31 VanDerWaalsContact C-N 3.31Å; A29-S31 PolarHBondContact O-N 3.2Å; S31-T34 PolarHBondContact O-N 3.02Å; S31-T34 VanDerWaalsContact O-O 3.12Å; S31-T34 PolarHBondContact O-OG1 2.97Å; S31-W37 WeakPolarHBondContact O-CZ2 3.47Å; S31-W37 PolarHBondContact O-NE1 3.46Å; S31-W37 WeakPolarHBondContact OG-CH2 3.16Å; S31-W37 WeakPolarHBondContact OG-CZ2 3.48Å; S31-S164 WeakPolarHBondContact CB-O 3.29Å; S31-S164 VanDerWaalsContact OG-C 3.24Å; S31-S164 PolarHBondContact OG-O 3.48Å; S31-A168 WeakPolarHBondContact OG-CB 3.49Å
32L90.6Very high87.5Confident53 Ų5354.1 Ų54.128%0.27731%0.311SS..Hα-helixtrans-69.7-33.4-179.7-72.5173.3000113.1I28 A29 V30 W37 L88 L91 I95I28-L32 HydrophobicContact CG2-CD1 4.26Å; I28-L32 HydrophobicContact CG2-CG 4.46Å; I28-L32 WeakPolarHBondContact O-CG 3.34Å; I28-L32 PolarHBondContact O-N 3.37Å; A29-L32 PolarHBondContact O-N 3.17Å; V30-L32 VanDerWaalsContact C-N 3.32Å; V30-L32 PolarHBondContact O-N 3.16Å; L32-W37 HydrophobicContact CD2-CZ2 4.15Å; L32-L88 HydrophobicContact CD2-CD2 3.58Å; L32-L91 HydrophobicContact CD1-CB 4.38Å; L32-L91 HydrophobicContact CD2-CB 4.01Å; L32-L91 HydrophobicContact CD2-CD1 3.79Å; L32-I95 HydrophobicContact CD1-CD1 3.63Å
33V89.4Confident86.1Confident123 Ų12353.6 Ų53.675%0.74531%0.307SS*.Hα-helixtrans-80.4-24.5179.4177.90000111.9A29 V30A29-V33 WeakPolarHBondContact O-CG2 3.47Å; A29-V33 PolarHBondContact O-N 3.21Å; A29-V33 VanDerWaalsContact O-N 3.14Å; V30-V33 PolarHBondContact O-N 3.1Å
34T84.3Confident84.4Confident45 Ų4553.2 Ų53.228%0.27631%0.306SS..  trans-90126.2-178.4490000111.3V30 S31 L36 W37 S164V30-T34 HydrophobicContact CG1-CG2 4.31Å; V30-T34 WeakPolarHBondContact O-CB 3.31Å; V30-T34 WeakPolarHBondContact O-CG2 3.25Å; V30-T34 PolarHBondContact O-N 2.96Å; V30-T34 PolarHBondContact O-OG1 3.46Å; S31-T34 PolarHBondContact O-N 3.02Å; S31-T34 VanDerWaalsContact O-O 3.12Å; S31-T34 PolarHBondContact O-OG1 2.97Å; T34-L36 PolarHBondContact O-N 2.95Å; T34-L36 VanDerWaalsContact O-N 3.14Å; T34-W37 VanDerWaalsContact O-CD1 3.26Å; T34-W37 PolarHBondContact O-NE1 3.12Å; T34-S164 WeakPolarHBondContact CB-OG 3.33Å; T34-S164 PolarHBondContact O-OG 3.28Å; T34-S164 VanDerWaalsContact O-OG 3.07Å; T34-S164 PolarHBondContact OG1-OG 3.08Å
35P79.6Confident82.6Confident118 Ų11859.1 Ų59.177%0.76633%0.328SS*.  trans-79.49.9-174.931.7-36.1000114.4W37P35-W37 PolarHBondContact O-N 3.33Å
36L83Confident80.6Confident90 Ų9067.5 Ų67.547%0.47136%0.359SS..  trans-95.658.4-171.3-66.9173.1000111.9T34 G162 Y163 S164T34-L36 PolarHBondContact O-N 2.95Å; T34-L36 VanDerWaalsContact O-N 3.14Å; L36-G162 CarbonylContact O-C 3.45Å; L36-G162 WeakPolarHBondContact O-CA 3.21Å; L36-Y163 PolarHBondContact O-N 3.45Å; L36-S164 PolarHBondContact N-OG 3.09Å; L36-S164 VanDerWaalsContact O-CB 3.31Å; L36-S164 WeakPolarHBondContact O-CB 3.48Å; L36-S164 PolarHBondContact O-N 2.82Å; L36-S164 PolarHBondContact O-OG 3.34Å
37W86.2Confident78.5Confident30 Ų3069.8 Ų69.811%0.11437%0.367CS..SBendtrans-86.7-43.5-177.9-76.379.5000113.8S31 L32 T34 P35 L91 L134 F137 G162 F165 A168S31-W37 WeakPolarHBondContact O-CZ2 3.47Å; S31-W37 PolarHBondContact O-NE1 3.46Å; S31-W37 WeakPolarHBondContact OG-CH2 3.16Å; S31-W37 WeakPolarHBondContact OG-CZ2 3.48Å; L32-W37 HydrophobicContact CD2-CZ2 4.15Å; T34-W37 VanDerWaalsContact O-CD1 3.26Å; T34-W37 PolarHBondContact O-NE1 3.12Å; P35-W37 PolarHBondContact O-N 3.33Å; W37-L91 HydrophobicContact CH2-CD1 3.35Å; W37-L91 HydrophobicContact CZ2-CD1 4.05Å; W37-L91 HydrophobicContact CZ3-CD1 4.08Å; W37-L134 HydrophobicContact CZ3-CD2 4.37Å; W37-F137 HydrophobicContact CB-CE1 4.1Å; W37-F137 HydrophobicContact CB-CE2 3.67Å; W37-F137 HydrophobicContact CB-CZ 3.37Å; W37-F137 HydrophobicContact CD2-CE2 4.32Å; W37-F137 HydrophobicContact CE3-CD1 4.13Å; W37-F137 AromaticContact CE3-CD2 3.96Å; W37-F137 HydrophobicContact CE3-CD2 3.96Å; W37-F137 HydrophobicContact CE3-CE1 4.23Å; W37-F137 HydrophobicContact CE3-CE2 4.07Å; W37-F137 HydrophobicContact CE3-CG 4.02Å; W37-F137 HydrophobicContact CE3-CZ 4.24Å; W37-F137 HydrophobicContact CG-CE2 4.22Å; W37-F137 HydrophobicContact CG-CZ 4.3Å; W37-F137 HydrophobicContact CZ3-CG 4.48Å; W37-G162 PolarHBondContact O-N 2.92Å; W37-F165 HydrophobicContact CE3-CB 4.46Å; W37-A168 HydrophobicContact CH2-CB 3.96Å; W37-A168 HydrophobicContact CZ3-CB 4.35Å
38Q85.1Confident76.3Confident45 Ų4574.9 Ų74.921%0.2139%0.389CS..EExtended strand (participates in β ladder)trans-136.6136.7173.9-179.2179.8700108.1V40 F137 A141 S159Q38-V40 HydrophobicContact CG-CG2 4.04Å; Q38-F137 HydrophobicContact CB-CE1 4.35Å; Q38-F137 HydrophobicContact CB-CZ 3.94Å; Q38-A141 HydrophobicContact CG-CB 4.46Å; Q38-A141 PolarHBondContact NE2-O 2.75Å; Q38-S159 PolarHBondContact NE2-OG 3.35Å
39V76.5Confident74.3Confident36 Ų3683.2 Ų83.222%0.21843%0.425CS..EExtended strand (participates in β ladder)trans-112.5130.3170.9-172.70000107.9T41 S159 Y160V39-T41 HydrophobicContact CG1-CG2 4.47Å; V39-S159 WeakPolarHBondContact O-CA 3.39Å; V39-S159 PolarHBondContact O-OG 3.41Å; V39-Y160 HydrophobicContact CB-CD1 4.34Å; V39-Y160 HydrophobicContact CB-CD2 4.03Å; V39-Y160 HydrophobicContact CB-CE1 3.85Å; V39-Y160 HydrophobicContact CB-CE2 3.51Å; V39-Y160 HydrophobicContact CB-CG 4.42Å; V39-Y160 VanDerWaalsContact CB-CZ 3.42Å; V39-Y160 HydrophobicContact CG1-CE1 3.83Å; V39-Y160 HydrophobicContact CG1-CE2 4.1Å; V39-Y160 VanDerWaalsContact CG1-CZ 3.49Å; V39-Y160 VanDerWaalsContact CG1-OH 3.32Å; V39-Y160 WeakPolarHBondContact CG1-OH 3.46Å; V39-Y160 HydrophobicContact CG2-CD2 4.28Å; V39-Y160 HydrophobicContact CG2-CE2 3.6Å; V39-Y160 PolarHBondContact N-O 3.33Å; V39-Y160 PolarHBondContact O-N 3.12Å
40V75Confident72.2Confident50 Ų5086.5 Ų86.530%0.30345%0.446SS..EExtended strand (participates in β ladder)trans-124.8114.8175-175.80000106.7Q38 L42 L148 E158Q38-V40 HydrophobicContact CG-CG2 4.04Å; V40-L42 HydrophobicContact CG1-CD2 3.94Å; V40-L42 HydrophobicContact CG1-CG 4.3Å; V40-L148 HydrophobicContact CG1-CD1 3.72Å; V40-E158 WeakPolarHBondContact CA-O 3.43Å
41T72.4Confident69.7Low50 Ų5085.9 Ų85.931%0.30746%0.455SS..EExtended strand (participates in β ladder)trans-96.7128.3170.953.10000108V39 H157 E158V39-T41 HydrophobicContact CG1-CG2 4.47Å; T41-H157 VanDerWaalsContact O-CA 3.28Å; T41-H157 WeakPolarHBondContact O-CA 3.45Å; T41-E158 PolarHBondContact N-O 2.98Å; T41-E158 PolarHBondContact O-N 3.43Å; T41-E158 WeakPolarHBondContact OG1-CB 3.36Å; T41-E158 PolarHBondContact OG1-O 2.88Å
42L71.5Confident67.3Low103 Ų10394.9 Ų94.954%0.53949%0.494SS..EExtended strand (participates in β ladder)trans-109.7118.7178.4-60.7171000107.6V40 L148 I155 H157V40-L42 HydrophobicContact CG1-CD2 3.94Å; V40-L42 HydrophobicContact CG1-CG 4.3Å; L42-L148 HydrophobicContact CD2-CD1 4.22Å; L42-L148 HydrophobicContact CD2-CD2 4.13Å; L42-I155 HydrophobicContact CB-CG2 4.04Å; L42-I155 HydrophobicContact CD2-CG2 3.92Å; L42-H157 HydrophobicContact CD2-CB 3.93Å
43V63.8Low65Low52 Ų52101.8 Ų101.832%0.31553%0.525SS..EExtended strand (participates in β ladder)trans-114.1120.8176.2-177.50000107.9R45 E48 I156V43-R45 PolarHBondContact O-N 2.72Å; V43-E48 HydrophobicContact CG1-CG 4.48Å; V43-I156 HydrophobicContact CB-CB 4.31Å; V43-I156 PolarHBondContact N-O 3.28Å; V43-I156 PolarHBondContact O-N 3.25Å; V43-I156 VanDerWaalsContact O-O 3.09Å
44D60.7Low62.6Low72 Ų7299.4 Ų99.439%0.38553%0.525SS..EExtended strand (participates in β ladder)trans-72.6118.4175.4-169.3-16.6000109.3R46 Q47D44-R46 PolarHBondContact O-N 2.88Å; D44-R46 WeakPolarHBondContact OD1-CB 3.43Å; D44-R46 PolarHBondContact OD1-N 3.42Å; D44-Q47 PolarHBondContact O-N 3.43Å
45R57Low60.2Low123 Ų123104.6 Ų104.646%0.46455%0.546SS..Hα-helixtrans-58.5-20.9179.3-168.1-178.4-102.4173.6-6.2112.1V43 Q47 E48 F49 N154 I156V43-R45 PolarHBondContact O-N 2.72Å; R45-Q47 VanDerWaalsContact C-N 3.29Å; R45-Q47 PolarHBondContact O-N 3.43Å; R45-E48 PolarHBondContact O-N 3.28Å; R45-F49 HydrophobicContact CG-CE2 4.49Å; R45-N154 WeakPolarHBondContact CB-O 3.46Å; R45-I156 HydrophobicContact CB-CD1 4.17Å; R45-I156 HydrophobicContact CB-CG1 4.25Å; R45-I156 HydrophobicContact CG-CD1 4.03Å; R45-I156 HydrophobicContact CG-CG1 4.43Å
46R53.5Low58.1Low200 Ų200106.8 Ų106.876%0.75554%0.544SS*.Hα-helixtrans-67.2-26.9174.1-65.2-171.9-168-155.33.3113.5D44D44-R46 PolarHBondContact O-N 2.88Å; D44-R46 WeakPolarHBondContact OD1-CB 3.43Å; D44-R46 PolarHBondContact OD1-N 3.42Å
47Q51.5Low56.1Low153 Ų153108.7 Ų108.772%0.71555%0.553SS**Hα-helixtrans-78.8-28.5178.7-75.7-171.7-20.700112.7D44 R45D44-Q47 PolarHBondContact O-N 3.43Å; R45-Q47 VanDerWaalsContact C-N 3.29Å; R45-Q47 PolarHBondContact O-N 3.43Å
48E49.7Very low53.9Low121 Ų121116.1 Ų116.157%0.56559%0.586SS**Hα-helixtrans-70.6-30.2177.1-74.5-174.416100113.1V43 R45 I156V43-E48 HydrophobicContact CG1-CG 4.48Å; R45-E48 PolarHBondContact O-N 3.28Å; E48-I156 WeakPolarHBondContact OE2-CD1 3.32Å
49F51.4Low51.4Low174 Ų174120.1 Ų120.176%0.76362%0.616SS**THydrogen-bonded Turntrans-86.7-9178.5-84.2-83000114.9R45R45-F49 HydrophobicContact CG-CE2 4.49Å
50S49.5Very low49.3Very low106 Ų106121.5 Ų121.574%0.74164%0.637SS**THydrogen-bonded Turntrans-97.80.2-175.8-171.50000114
51G42.6Very low47.6Very low60 Ų60125.5 Ų125.562%0.61966%0.662SS**SBendtrans-102.7-17.1-161.900000117.7
52K39Very low45.7Very low188 Ų188127.8 Ų127.882%0.81768%0.68SS**SBendtrans-152.5130.2-176.4-66.1-174.6179.8172.60109.9
53E42.4Very low44Very low198 Ų198129.5 Ų129.593%0.92569%0.69SS**  trans76.8111.3-179.7-51.6178.2176.100112.1
54G39.5Very low43Very low73 Ų73133.2 Ų133.275%0.75372%0.715SS**  11210354.800000106.9
55E34.9Very low42.1Very low154 Ų154135 Ų13572%0.7273%0.728SS**  trans45.5115.3157.7-79.9-172.9113.700121.2
56K34.9Very low41Very low165 Ų165136.3 Ų136.372%0.71774%0.744SS**  trans79.1144.6132-63.5170.3172.5156.10118.9
57I40.7Very low40.3Very low130 Ų130132.3 Ų132.367%0.66774%0.738SS**  trans75.2105.3162.4-29.4-175.8000111.8
58F40.9Very low39.5Very low186 Ų186132.9 Ų132.982%0.81674%0.741SS**  -159.5133.667.3-79-91.6000111.6
59P33Very low38.7Very low128 Ų128132.9 Ų132.983%0.83174%0.744SS**  trans-92.9121.5153.932.8-21.6000108.9
60G32.5Very low37.7Very low65 Ų65132.3 Ų132.367%0.6774%0.742SS**  trans113.187.7165.200000116.2
61V37.4Very low36.9Very low134 Ų134133.5 Ų133.581%0.81274%0.739SS**  trans-140.680143.8-178.90000105
62S34.4Very low36.2Very low99 Ų99139.7 Ų139.769%0.69275%0.745SS**  38.9109.5101.258.90000114.7
63N34.6Very low35.8Very low138 Ų138134.9 Ų134.974%0.73873%0.733SS**  trans67.4109.7165.9-69.7-16.2000118.3V65N63-V65 PolarHBondContact O-N 2.89Å
64P43.5Very low35.2Very low130 Ų130128.4 Ų128.484%0.84471%0.714SS**  trans-65.69814729.5-27.8000106.3N66P64-N66 PolarHBondContact O-N 3.47Å
65V40.5Very low34.7Very low109 Ų109130 Ų13066%0.66171%0.708SS**  trans-51.7124.1166.7171.10000107.1N63 N67N63-V65 PolarHBondContact O-N 2.89Å; V65-N67 WeakPolarHBondContact CG1-OD1 3.49Å; V65-N67 PolarHBondContact O-N 2.92Å
66N35Very low34.6Very low151 Ų151127.1 Ų127.181%0.80770%0.698SS**  trans-51.572.1161.4-87.4-15.4000110.6P64 E68P64-N66 PolarHBondContact O-N 3.47Å; N66-E68 VanDerWaalsContact C-N 3.27Å; N66-E68 PolarHBondContact O-N 3.35Å
67N39.5Very low34.6Very low116 Ų116127.5 Ų127.562%0.6270%0.701SS**  trans-90.980155-79.68.5000106.2V65 D69V65-N67 WeakPolarHBondContact CG1-OD1 3.49Å; V65-N67 PolarHBondContact O-N 2.92Å; N67-D69 PolarHBondContact O-N 2.9Å
68E33.5Very low34.8Very low166 Ų166124.4 Ų124.478%0.77668%0.683SS**  trans-62.666.9143.9-67-169.9174.900107.7N66 K70N66-E68 VanDerWaalsContact C-N 3.27Å; N66-E68 PolarHBondContact O-N 3.35Å; E68-K70 PolarHBondContact O-N 3.07Å
69D33.9Very low35.5Very low120 Ų120119.4 Ų119.464%0.64267%0.665SS**  trans-64.898.9157.6-80.1-36.2000104.4N67 L71N67-D69 PolarHBondContact O-N 2.9Å; D69-L71 PolarHBondContact O-N 3.27Å
70K28.9Very low36.8Very low162 Ų162116.4 Ų116.470%0.70465%0.646SS**  trans-55.976.8160.5-76.2175.4176.61720107.5E68 Y72E68-K70 PolarHBondContact O-N 3.07Å; K70-Y72 HydrophobicContact CB-CE2 4.35Å; K70-Y72 PolarHBondContact O-N 3.13Å
71L32.6Very low38.3Very low131 Ų131117.7 Ų117.769%0.68664%0.643SS**  trans-65.192.1154.1-121.980.8000103.9D69 P73D69-L71 PolarHBondContact O-N 3.27Å; L71-P73 WeakPolarHBondContact O-CD 3.5Å; L71-P73 VanDerWaalsContact O-N 3.09Å
72Y29.4Very low40.1Very low190 Ų190114.6 Ų114.675%0.74563%0.625SS**  trans-48.8121.9164.1-78.3-90.7000105.9K70 A74K70-Y72 HydrophobicContact CB-CE2 4.35Å; K70-Y72 PolarHBondContact O-N 3.13Å; Y72-A74 PolarHBondContact O-N 2.73Å
73P30.4Very low42.2Very low87 Ų87111.1 Ų111.157%0.56560%0.599SS**  trans-58.7112.6169.125.2-29.9000104.2L71 V75L71-P73 WeakPolarHBondContact O-CD 3.5Å; L71-P73 VanDerWaalsContact O-N 3.09Å; P73-V75 HydrophobicContact CB-CG2 4.12Å; P73-V75 HydrophobicContact CG-CG2 4.1Å; P73-V75 PolarHBondContact O-N 3.39Å
74A29.5Very low44.4Very low63 Ų63106.5 Ų106.552%0.52158%0.58SS.*  trans-57.795.4150.700000103.1Y72 L76Y72-A74 PolarHBondContact O-N 2.73Å; A74-L76 PolarHBondContact O-N 3.07Å
75V29.2Very low46.5Very low106 Ų106105 Ų10564%0.64256%0.564SS**  trans-67.974.6169.9-177.90000104.4P73 H77P73-V75 HydrophobicContact CB-CG2 4.12Å; P73-V75 HydrophobicContact CG-CG2 4.1Å; P73-V75 PolarHBondContact O-N 3.39Å; V75-H77 PolarHBondContact O-N 3.33Å
76L33.5Very low48.9Very low94 Ų94102.4 Ų102.449%0.49255%0.549SS..  trans-64.598.5151.5-82.5145.7000103.2A74 F78A74-L76 PolarHBondContact O-N 3.07Å; L76-F78 HydrophobicContact CB-CD2 3.54Å; L76-F78 HydrophobicContact CB-CE1 4.48Å; L76-F78 HydrophobicContact CB-CE2 3.35Å; L76-F78 HydrophobicContact CB-CG 4.26Å; L76-F78 HydrophobicContact CB-CZ 3.87Å; L76-F78 HydrophobicContact CD1-CE2 3.74Å; L76-F78 HydrophobicContact CD1-CZ 3.96Å; L76-F78 HydrophobicContact CD2-CE1 4.01Å; L76-F78 HydrophobicContact CD2-CE2 3.97Å; L76-F78 HydrophobicContact CD2-CZ 3.57Å; L76-F78 HydrophobicContact CG-CE2 3.85Å; L76-F78 HydrophobicContact CG-CZ 3.99Å; L76-F78 PolarHBondContact O-N 3.2Å
77H34.9Very low51.5Low172 Ų17295.4 Ų95.480%0.79651%0.512SS*.  trans-60.171.4159.7-116.1-78.7000106.7V75 D79V75-H77 PolarHBondContact O-N 3.33Å; H77-D79 PolarHBondContact O-N 2.72Å
78F44.5Very low54Low65 Ų6594.3 Ų94.329%0.28551%0.506SS..  trans-72110.4161.5-72.4-56.8000103.9L76 P80 R143L76-F78 HydrophobicContact CB-CD2 3.54Å; L76-F78 HydrophobicContact CB-CE1 4.48Å; L76-F78 HydrophobicContact CB-CE2 3.35Å; L76-F78 HydrophobicContact CB-CG 4.26Å; L76-F78 HydrophobicContact CB-CZ 3.87Å; L76-F78 HydrophobicContact CD1-CE2 3.74Å; L76-F78 HydrophobicContact CD1-CZ 3.96Å; L76-F78 HydrophobicContact CD2-CE1 4.01Å; L76-F78 HydrophobicContact CD2-CE2 3.97Å; L76-F78 HydrophobicContact CD2-CZ 3.57Å; L76-F78 HydrophobicContact CG-CE2 3.85Å; L76-F78 HydrophobicContact CG-CZ 3.99Å; L76-F78 PolarHBondContact O-N 3.2Å; F78-P80 VanDerWaalsContact C-N 3.34Å; F78-P80 WeakPolarHBondContact O-CD 3.47Å; F78-R143 HydrophobicContact CD1-CB 4.12Å; F78-R143 HydrophobicContact CD1-CG 4.28Å; F78-R143 HydrophobicContact CE1-CB 3.45Å; F78-R143 VanDerWaalsContact CE1-CB 3.45Å; F78-R143 HydrophobicContact CE1-CG 3.34Å; F78-R143 HydrophobicContact CE2-CB 4.37Å; F78-R143 HydrophobicContact CZ-CB 3.55Å; F78-R143 HydrophobicContact CZ-CG 3.69Å
79D55.6Low56.9Low82 Ų8291.8 Ų91.844%0.43950%0.497SS..  trans-91.977160.5-165.9-4.7000106.1H77 C81 T82 T83H77-D79 PolarHBondContact O-N 2.72Å; D79-C81 PolarHBondContact O-N 2.65Å; D79-C81 VanDerWaalsContact O-N 3.1Å; D79-C81 WeakPolarHBondContact OD1-CB 3.37Å; D79-T82 PolarHBondContact O-N 2.92Å; D79-T82 PolarHBondContact OD1-N 3.22Å; D79-T82 WeakPolarHBondContact OD2-CB 3.5Å; D79-T82 PolarHBondContact OD2-OG1 3.34Å; D79-T83 PolarHBondContact O-N 2.93Å
80P59Low59.8Low65 Ų6588.5 Ų88.542%0.42248%0.479SS..Hα-helixtrans-57.6-27.3-177.226.7-36.7000110.6F78 T83 A84F78-P80 VanDerWaalsContact C-N 3.34Å; F78-P80 WeakPolarHBondContact O-CD 3.47Å; P80-T83 PolarHBondContact O-OG1 2.82Å; P80-A84 WeakPolarHBondContact O-CB 3.17Å; P80-A84 PolarHBondContact O-N 3.14Å
81C65Low62.9Low92 Ų9280.8 Ų80.862%0.62245%0.446SS*.Hα-helixtrans-63-47.3174.1-63.60000111.2D79 L85D79-C81 PolarHBondContact O-N 2.65Å; D79-C81 VanDerWaalsContact O-N 3.1Å; D79-C81 WeakPolarHBondContact OD1-CB 3.37Å; C81-L85 WeakPolarHBondContact O-CB 3.49Å; C81-L85 PolarHBondContact O-N 3.36Å
82T74.6Confident65.8Low69 Ų6975.8 Ų75.842%0.42343%0.426SS..Hα-helixtrans-65.5-44.7179.3-68.10000111.7D79 L85 T86D79-T82 PolarHBondContact O-N 2.92Å; D79-T82 PolarHBondContact OD1-N 3.22Å; D79-T82 WeakPolarHBondContact OD2-CB 3.5Å; D79-T82 PolarHBondContact OD2-OG1 3.34Å; T82-L85 PolarHBondContact O-N 2.96Å; T82-T86 WeakPolarHBondContact O-CB 3.32Å; T82-T86 PolarHBondContact O-N 2.99Å; T82-T86 PolarHBondContact O-OG1 2.82Å
83T78.2Confident68.9Low25 Ų2568.6 Ų68.615%0.15341%0.406CS..Hα-helixtrans-67.7-40.4179.448.30000112.8D79 P80 T86 S87 V136 N140D79-T83 PolarHBondContact O-N 2.93Å; P80-T83 PolarHBondContact O-OG1 2.82Å; T83-T86 PolarHBondContact O-N 3.34Å; T83-S87 PolarHBondContact O-N 3.41Å; T83-V136 WeakPolarHBondContact O-CG1 3.48Å; T83-N140 PolarHBondContact OG1-OD1 3.21Å
84A80.8Confident72Confident41 Ų4164.5 Ų64.534%0.33938%0.379SS..Hα-helixtrans-65-42174.900000110.9P80 S87 L88P80-A84 WeakPolarHBondContact O-CB 3.17Å; P80-A84 PolarHBondContact O-N 3.14Å; A84-S87 PolarHBondContact O-N 2.81Å; A84-L88 VanDerWaalsContact O-CG 3.32Å; A84-L88 WeakPolarHBondContact O-CG 3.33Å; A84-L88 PolarHBondContact O-N 2.87Å
85L87.5Confident75.1Confident98 Ų9863.3 Ų63.351%0.51336%0.364SS..Hα-helixtrans-63-43.2175.6-175.167000111.6C81 T82 S87 L88 L89C81-L85 WeakPolarHBondContact O-CB 3.49Å; C81-L85 PolarHBondContact O-N 3.36Å; T82-L85 PolarHBondContact O-N 2.96Å; L85-S87 VanDerWaalsContact C-N 3.35Å; L85-S87 PolarHBondContact O-N 3.32Å; L85-L88 PolarHBondContact O-N 2.96Å; L85-L89 HydrophobicContact CG-CD1 4.12Å; L85-L89 HydrophobicContact CG-CG 4.4Å; L85-L89 WeakPolarHBondContact O-CB 3.28Å; L85-L89 VanDerWaalsContact O-CG 3.25Å; L85-L89 WeakPolarHBondContact O-CG 3.49Å; L85-L89 PolarHBondContact O-N 3.47Å
86T90.6Very high78.3Confident55 Ų5564 Ų6434%0.33736%0.362SS..Hα-helixtrans-60.7-44.1175.3-58.20000111.4T82 T83 L89 L90 V136T82-T86 WeakPolarHBondContact O-CB 3.32Å; T82-T86 PolarHBondContact O-N 2.99Å; T82-T86 PolarHBondContact O-OG1 2.82Å; T83-T86 PolarHBondContact O-N 3.34Å; T86-L89 PolarHBondContact O-N 2.86Å; T86-L90 HydrophobicContact CG2-CD1 3.96Å; T86-L90 HydrophobicContact CG2-CG 4.47Å; T86-L90 WeakPolarHBondContact O-CB 3.43Å; T86-L90 VanDerWaalsContact O-CG 3.32Å; T86-L90 WeakPolarHBondContact O-CG 3.27Å; T86-L90 PolarHBondContact O-N 3.4Å; T86-V136 HydrophobicContact CG2-CG1 4.33Å; T86-V136 HydrophobicContact CG2-CG2 4.38Å
87S90.6Very high81.1Confident5 Ų562.1 Ų62.14%0.03535%0.352CS..Hα-helixtrans-59.8-46.8175.4-177.70000111.6T83 A84 L85 L89 L90 L91 G133T83-S87 PolarHBondContact O-N 3.41Å; A84-S87 PolarHBondContact O-N 2.81Å; L85-S87 VanDerWaalsContact C-N 3.35Å; L85-S87 PolarHBondContact O-N 3.32Å; S87-L89 PolarHBondContact O-N 3.27Å; S87-L90 PolarHBondContact O-N 2.91Å; S87-L91 WeakPolarHBondContact O-CB 3.48Å; S87-L91 VanDerWaalsContact O-CG 3.27Å; S87-L91 WeakPolarHBondContact O-CG 3.11Å; S87-L91 PolarHBondContact O-N 3.44Å; S87-G133 WeakPolarHBondContact CB-O 3.49Å; S87-G133 PolarHBondContact OG-O 2.88Å
88L91.3Very high83.8Confident93 Ų9353.9 Ų53.949%0.48731%0.314SS..Hα-helixtrans-60.8-43.5176.4-73.3170.7000112.5L32 A84 L85 L91 G92L32-L88 HydrophobicContact CD2-CD2 3.58Å; A84-L88 VanDerWaalsContact O-CG 3.32Å; A84-L88 WeakPolarHBondContact O-CG 3.33Å; A84-L88 PolarHBondContact O-N 2.87Å; L85-L88 PolarHBondContact O-N 2.96Å; L88-L91 PolarHBondContact O-N 3.28Å; L88-G92 PolarHBondContact O-N 3.31Å
89L94.5Very high86.1Confident112 Ų11253.5 Ų53.559%0.58632%0.316SS*.Hα-helixtrans-63.7-41.7178.2-73.9172.7000111.6L85 T86 S87 G92 A93L85-L89 HydrophobicContact CG-CD1 4.12Å; L85-L89 HydrophobicContact CG-CG 4.4Å; L85-L89 WeakPolarHBondContact O-CB 3.28Å; L85-L89 VanDerWaalsContact O-CG 3.25Å; L85-L89 WeakPolarHBondContact O-CG 3.49Å; L85-L89 PolarHBondContact O-N 3.47Å; T86-L89 PolarHBondContact O-N 2.86Å; S87-L89 PolarHBondContact O-N 3.27Å; L89-G92 PolarHBondContact O-N 3.48Å; L89-A93 WeakPolarHBondContact O-CB 3.33Å; L89-A93 PolarHBondContact O-N 3.31Å
90L95Very high87.8Confident52 Ų5256 Ų5627%0.27232%0.32SS..Hα-helixtrans-67.4-42.6178.1-75171.1000112.1T86 S87 A93 A94 V136T86-L90 HydrophobicContact CG2-CD1 3.96Å; T86-L90 HydrophobicContact CG2-CG 4.47Å; T86-L90 WeakPolarHBondContact O-CB 3.43Å; T86-L90 VanDerWaalsContact O-CG 3.32Å; T86-L90 WeakPolarHBondContact O-CG 3.27Å; T86-L90 PolarHBondContact O-N 3.4Å; S87-L90 PolarHBondContact O-N 2.91Å; L90-A93 PolarHBondContact O-N 2.93Å; L90-A94 PolarHBondContact O-N 2.93Å; L90-V136 HydrophobicContact CD1-CG2 4.28Å
91L93.9Very high89.3Confident0 Ų053 Ų530%030%0.3CS..Hα-helixtrans-66.7-38.5175.1-67.4168.2000111.9I28 L32 W37 S87 L88 A94 I95 T130 A168I28-L91 HydrophobicContact CG2-CB 4.27Å; I28-L91 HydrophobicContact CG2-CD2 4.22Å; L32-L91 HydrophobicContact CD1-CB 4.38Å; L32-L91 HydrophobicContact CD2-CB 4.01Å; L32-L91 HydrophobicContact CD2-CD1 3.79Å; W37-L91 HydrophobicContact CH2-CD1 3.35Å; W37-L91 HydrophobicContact CZ2-CD1 4.05Å; W37-L91 HydrophobicContact CZ3-CD1 4.08Å; S87-L91 WeakPolarHBondContact O-CB 3.48Å; S87-L91 VanDerWaalsContact O-CG 3.27Å; S87-L91 WeakPolarHBondContact O-CG 3.11Å; S87-L91 PolarHBondContact O-N 3.44Å; L88-L91 PolarHBondContact O-N 3.28Å; L91-A94 WeakPolarHBondContact O-CB 3.32Å; L91-A94 PolarHBondContact O-N 3.47Å; L91-I95 PolarHBondContact O-N 3.32Å; L91-I95 VanDerWaalsContact O-N 3.14Å; L91-T130 HydrophobicContact CD2-CG2 4.01Å; L91-A168 HydrophobicContact CD2-CB 4.49Å
92G94.5Very high90.4Very high26 Ų2649.9 Ų49.927%0.26828%0.277SS..Hα-helixtrans-63.6-43.2172.900000112.4L88 L89 A94 I95 I96L88-G92 PolarHBondContact O-N 3.31Å; L89-G92 PolarHBondContact O-N 3.48Å; G92-A94 VanDerWaalsContact C-N 3.31Å; G92-A94 PolarHBondContact O-N 3.17Å; G92-I95 PolarHBondContact O-N 3.02Å; G92-I96 WeakPolarHBondContact O-CG1 3.45Å; G92-I96 PolarHBondContact O-N 3.29Å; G92-I96 VanDerWaalsContact O-N 3.13Å
93A94.9Very high91.1Very high39 Ų3952.5 Ų52.532%0.32228%0.282SS..Hα-helixtrans-61.2-40173.900000111.6L89 L90 I95 I96 M97L89-A93 WeakPolarHBondContact O-CB 3.33Å; L89-A93 PolarHBondContact O-N 3.31Å; L90-A93 PolarHBondContact O-N 2.93Å; A93-I95 VanDerWaalsContact C-N 3.34Å; A93-I95 PolarHBondContact O-N 2.91Å; A93-I96 PolarHBondContact O-N 3.47Å; A93-M97 WeakPolarHBondContact O-CB 3.35Å; A93-M97 WeakPolarHBondContact O-CG 3.43Å; A93-M97 PolarHBondContact O-N 3.42Å
94A95Very high91.4Very high0 Ų054 Ų540%029%0.287CS..Hα-helixtrans-60.3-41.5175.700000112.7L90 L91 G92 M97 G98 A126 A129 T130 F175L90-A94 PolarHBondContact O-N 2.93Å; L91-A94 WeakPolarHBondContact O-CB 3.32Å; L91-A94 PolarHBondContact O-N 3.47Å; G92-A94 VanDerWaalsContact C-N 3.31Å; G92-A94 PolarHBondContact O-N 3.17Å; A94-M97 PolarHBondContact O-N 3.38Å; A94-G98 PolarHBondContact O-N 3.16Å; A94-A126 WeakPolarHBondContact CB-O 3.48Å; A94-A129 HydrophobicContact CB-CB 3.89Å; A94-T130 WeakPolarHBondContact CB-OG1 3.47Å; A94-F175 HydrophobicContact CB-CE2 4.48Å
95I94.7Very high91.4Very high39 Ų3952 Ų5220%0.227%0.271CS..Hα-helixtrans-60.8-48.3174.7-69.1171.7000110.7I25 I28 A29 L32 L91 G92 A93 M97 G98 V99I25-I95 HydrophobicContact CG2-CG2 4.15Å; I28-I95 HydrophobicContact CB-CG1 4.36Å; I28-I95 HydrophobicContact CG2-CD1 3.97Å; I28-I95 HydrophobicContact CG2-CG1 3.93Å; A29-I95 HydrophobicContact CB-CD1 4.46Å; L32-I95 HydrophobicContact CD1-CD1 3.63Å; L91-I95 PolarHBondContact O-N 3.32Å; L91-I95 VanDerWaalsContact O-N 3.14Å; G92-I95 PolarHBondContact O-N 3.02Å; A93-I95 VanDerWaalsContact C-N 3.34Å; A93-I95 PolarHBondContact O-N 2.91Å; I95-M97 VanDerWaalsContact C-N 3.31Å; I95-M97 PolarHBondContact O-N 3.47Å; I95-G98 PolarHBondContact O-N 3.23Å; I95-V99 HydrophobicContact CG2-CG2 4.43Å; I95-V99 VanDerWaalsContact O-CG2 3.3Å; I95-V99 WeakPolarHBondContact O-CG2 3.13Å; I95-V99 PolarHBondContact O-N 3.38Å
96I95.1Very high91.1Very high119 Ų11953.3 Ų53.361%0.6127%0.272SS*.Hα-helixtrans-59.9-44.9-179.5-65.5167.2000110.5G92 A93 V99 W100G92-I96 WeakPolarHBondContact O-CG1 3.45Å; G92-I96 PolarHBondContact O-N 3.29Å; G92-I96 VanDerWaalsContact O-N 3.13Å; A93-I96 PolarHBondContact O-N 3.47Å; I96-V99 PolarHBondContact O-N 2.98Å; I96-W100 PolarHBondContact O-N 2.9Å
97M93.4Very high90.5Very high55 Ų5552.7 Ų52.727%0.27127%0.273SS..Hα-helixtrans-66-42.3-179.7-66-84.6-82.500111.7A93 A94 I95 W100 D101 M122 A126A93-M97 WeakPolarHBondContact O-CB 3.35Å; A93-M97 WeakPolarHBondContact O-CG 3.43Å; A93-M97 PolarHBondContact O-N 3.42Å; A94-M97 PolarHBondContact O-N 3.38Å; I95-M97 VanDerWaalsContact C-N 3.31Å; I95-M97 PolarHBondContact O-N 3.47Å; M97-W100 WeakPolarHBondContact O-CB 3.47Å; M97-W100 PolarHBondContact O-N 3.21Å; M97-D101 PolarHBondContact O-N 2.94Å; M97-M122 HydrophobicContact CE-SD 4.3Å; M97-M122 HydrophobicContact SD-SD 3.95Å; M97-A126 HydrophobicContact CB-CB 3.85Å
98G91.8Very high89.5Confident0 Ų052.6 Ų52.60%027%0.272CS..Hα-helixtrans-64.6-39.5174.500000113A94 I95 W100 D101 I102A94-G98 PolarHBondContact O-N 3.16Å; I95-G98 PolarHBondContact O-N 3.23Å; G98-W100 VanDerWaalsContact C-N 3.27Å; G98-W100 PolarHBondContact O-N 2.99Å; G98-D101 WeakPolarHBondContact O-CB 3.39Å; G98-D101 PolarHBondContact O-N 3Å; G98-I102 PolarHBondContact O-N 2.63Å; G98-I102 VanDerWaalsContact O-N 3.08Å
99V93.4Very high88.3Confident56 Ų5654.4 Ų54.434%0.33928%0.281SS..Hα-helixtrans-61.1-41173.3168.30000110.6I25 I95 I96 D101 I102 F103I25-V99 HydrophobicContact CD1-CG2 3.96Å; I95-V99 HydrophobicContact CG2-CG2 4.43Å; I95-V99 VanDerWaalsContact O-CG2 3.3Å; I95-V99 WeakPolarHBondContact O-CG2 3.13Å; I95-V99 PolarHBondContact O-N 3.38Å; I96-V99 PolarHBondContact O-N 2.98Å; V99-D101 VanDerWaalsContact C-N 3.33Å; V99-I102 WeakPolarHBondContact O-CB 2.98Å; V99-I102 PolarHBondContact O-N 3.48Å; V99-F103 HydrophobicContact CG1-CD2 4.1Å; V99-F103 HydrophobicContact CG1-CE2 3.64Å; V99-F103 WeakPolarHBondContact O-CD2 3.35Å; V99-F103 PolarHBondContact O-N 2.99Å
100W91.4Very high87.1Confident136 Ų13658.4 Ų58.452%0.51529%0.293SS..Hα-helixtrans-66-36.5177.2-153.4-107.6000112.4I96 M97 G98 F103 F104I96-W100 PolarHBondContact O-N 2.9Å; M97-W100 WeakPolarHBondContact O-CB 3.47Å; M97-W100 PolarHBondContact O-N 3.21Å; G98-W100 VanDerWaalsContact C-N 3.27Å; G98-W100 PolarHBondContact O-N 2.99Å; W100-F103 HydrophobicContact CE3-CD2 4.48Å; W100-F103 WeakPolarHBondContact O-CB 3.17Å; W100-F103 PolarHBondContact O-N 3.22Å; W100-F104 AromaticContact CD1-CD2 3.7Å; W100-F104 AromaticContact CD1-CE2 3.06Å; W100-F104 AromaticContact CD1-CZ 3.59Å; W100-F104 HydrophobicContact CG-CE2 4.23Å; W100-F104 AromaticContact NE1-CE2 3.14Å; W100-F104 AromaticContact NE1-CZ 3.09Å; W100-F104 WeakPolarHBondContact O-CD2 3.35Å; W100-F104 PolarHBondContact O-N 3.43Å; W100-F104 VanDerWaalsContact O-N 3.09Å
101D89.2Confident85.9Confident0 Ų058.8 Ų58.80%030%0.3CS..Hα-helixtrans-61.4-42.8173.2-160.54.1000112.2M97 G98 V99 F103 F104 S105 G119 M122 S123 H182M97-D101 PolarHBondContact O-N 2.94Å; G98-D101 WeakPolarHBondContact O-CB 3.39Å; G98-D101 PolarHBondContact O-N 3Å; V99-D101 VanDerWaalsContact C-N 3.33Å; D101-F103 VanDerWaalsContact C-N 3.25Å; D101-F103 PolarHBondContact O-N 3.26Å; D101-F104 CarbonylContact O-C 3.52Å; D101-F104 PolarHBondContact O-N 3.5Å; D101-F104 VanDerWaalsContact O-N 3.1Å; D101-S105 WeakPolarHBondContact O-CB 3.49Å; D101-S105 PolarHBondContact O-N 3.35Å; D101-S105 PolarHBondContact O-OG 3.19Å; D101-G119 WeakPolarHBondContact OD1-CA 3.33Å; D101-M122 HydrophobicContact CB-CB 3.78Å; D101-S123 VanDerWaalsContact OD2-CA 3.29Å; D101-S123 WeakPolarHBondContact OD2-CA 3.43Å; D101-S123 WeakPolarHBondContact OD2-CB 3.39Å; D101-S123 PolarHBondContact OD2-N 3.06Å; D101-S123 VanDerWaalsContact OD2-N 3.1Å; D101-S123 PolarHBondContact OD2-OG 3.3Å; D101-H182 IonicContact OD1-NE2 3.71Å
102I88.8Confident84.7Confident27 Ų2760.7 Ų60.714%0.13831%0.313CS..Hα-helixtrans-56.7-40.5174.9-69.7171.4000111.5L18 D21 I25 G98 V99 K106L18-I102 HydrophobicContact CD2-CB 4.29Å; L18-I102 HydrophobicContact CD2-CG1 4.39Å; L18-I102 HydrophobicContact CD2-CG2 3.96Å; D21-I102 HydrophobicContact CB-CD1 4.28Å; D21-I102 HydrophobicContact CB-CG1 3.91Å; I25-I102 HydrophobicContact CD1-CD1 3.52Å; G98-I102 PolarHBondContact O-N 2.63Å; G98-I102 VanDerWaalsContact O-N 3.08Å; V99-I102 WeakPolarHBondContact O-CB 2.98Å; V99-I102 PolarHBondContact O-N 3.48Å; I102-K106 HydrophobicContact CG2-CD 4.43Å; I102-K106 WeakPolarHBondContact O-CG 3.02Å; I102-K106 PolarHBondContact O-N 3.47Å
103F88.7Confident83.4Confident124 Ų12461 Ų6154%0.54431%0.308SS..Hα-helixtrans-66.1-43.3177-75.4-68.4000112.2V99 W100 D101 K106 A107V99-F103 HydrophobicContact CG1-CD2 4.1Å; V99-F103 HydrophobicContact CG1-CE2 3.64Å; V99-F103 WeakPolarHBondContact O-CD2 3.35Å; V99-F103 PolarHBondContact O-N 2.99Å; W100-F103 HydrophobicContact CE3-CD2 4.48Å; W100-F103 WeakPolarHBondContact O-CB 3.17Å; W100-F103 PolarHBondContact O-N 3.22Å; D101-F103 VanDerWaalsContact C-N 3.25Å; D101-F103 PolarHBondContact O-N 3.26Å; F103-K106 PolarHBondContact O-N 2.74Å; F103-A107 WeakPolarHBondContact O-CB 3.38Å; F103-A107 PolarHBondContact O-N 2.71Å; F103-A107 VanDerWaalsContact O-N 3.09Å
104F84.3Confident82.4Confident56 Ų5669.7 Ų69.725%0.24633%0.333CS..Hα-helixtrans-65-48.6175-72.1-44.3000111.5W100 D101 K106 A107 S108 I115 A118 M122W100-F104 AromaticContact CD1-CD2 3.7Å; W100-F104 AromaticContact CD1-CE2 3.06Å; W100-F104 AromaticContact CD1-CZ 3.59Å; W100-F104 HydrophobicContact CG-CE2 4.23Å; W100-F104 AromaticContact NE1-CE2 3.14Å; W100-F104 AromaticContact NE1-CZ 3.09Å; W100-F104 WeakPolarHBondContact O-CD2 3.35Å; W100-F104 PolarHBondContact O-N 3.43Å; W100-F104 VanDerWaalsContact O-N 3.09Å; D101-F104 CarbonylContact O-C 3.52Å; D101-F104 PolarHBondContact O-N 3.5Å; D101-F104 VanDerWaalsContact O-N 3.1Å; F104-K106 VanDerWaalsContact C-N 3.25Å; F104-K106 PolarHBondContact O-N 3.49Å; F104-A107 CarbonylContact O-C 3.15Å; F104-A107 WeakPolarHBondContact O-CA 3.43Å; F104-A107 WeakPolarHBondContact O-CB 3.29Å; F104-A107 PolarHBondContact O-N 3.06Å; F104-S108 PolarHBondContact O-N 3.14Å; F104-I115 VanDerWaalsContact C-CG2 3.48Å; F104-I115 HydrophobicContact CB-CG2 3.85Å; F104-I115 HydrophobicContact CD1-CG2 4.5Å; F104-I115 WeakPolarHBondContact O-CG2 3.25Å; F104-A118 HydrophobicContact CD1-CB 4.38Å; F104-A118 HydrophobicContact CD2-CB 4Å; F104-A118 HydrophobicContact CE1-CB 4.5Å; F104-A118 HydrophobicContact CE2-CB 4.04Å; F104-A118 HydrophobicContact CG-CB 4.15Å; F104-A118 HydrophobicContact CZ-CB 4.32Å; F104-M122 HydrophobicContact CD2-CG 3.78Å; F104-M122 HydrophobicContact CE2-CE 3.98Å; F104-M122 HydrophobicContact CE2-CG 3.74Å; F104-M122 HydrophobicContact CE2-SD 4.5Å
105S80.9Confident81.5Confident0 Ų070.9 Ų70.90%034%0.339CS..Hα-helixtrans-53-41.5176.7-75.90000112.9I14 L18 D101 S108 H182I14-S105 WeakPolarHBondContact CG2-O 3.47Å; L18-S105 VanDerWaalsContact CD2-CB 3.45Å; D101-S105 WeakPolarHBondContact O-CB 3.49Å; D101-S105 PolarHBondContact O-N 3.35Å; D101-S105 PolarHBondContact O-OG 3.19Å; S105-S108 WeakPolarHBondContact O-CB 3.32Å; S105-S108 PolarHBondContact O-N 2.98Å; S105-S108 PolarHBondContact O-OG 2.61Å; S105-H182 PolarHBondContact OG-CE1 2.76Å; S105-H182 PolarHBondContact OG-NE2 3.36Å; S105-H182 VanDerWaalsContact OG-NE2 3.09Å
106K81Confident80.7Confident126 Ų12669 Ų6955%0.54833%0.329SS..Hα-helixtrans-66.7-37.9172.8-73.2178.8-179.4179.50113.4L18 I102 F103 F104 S108 I109L18-K106 HydrophobicContact CD1-CG 4.26Å; L18-K106 HydrophobicContact CD2-CG 4.14Å; I102-K106 HydrophobicContact CG2-CD 4.43Å; I102-K106 WeakPolarHBondContact O-CG 3.02Å; I102-K106 PolarHBondContact O-N 3.47Å; F103-K106 PolarHBondContact O-N 2.74Å; F104-K106 VanDerWaalsContact C-N 3.25Å; F104-K106 PolarHBondContact O-N 3.49Å; K106-S108 VanDerWaalsContact C-N 3.31Å; K106-I109 WeakPolarHBondContact O-CG1 3.36Å
107A79Confident79.9Confident42 Ų4265.6 Ų65.635%0.34732%0.319SS..Hα-helixtrans-71.5-25.3178.500000112.9F103 F104 I109 K110 I115F103-A107 WeakPolarHBondContact O-CB 3.38Å; F103-A107 PolarHBondContact O-N 2.71Å; F103-A107 VanDerWaalsContact O-N 3.09Å; F104-A107 CarbonylContact O-C 3.15Å; F104-A107 WeakPolarHBondContact O-CA 3.43Å; F104-A107 WeakPolarHBondContact O-CB 3.29Å; F104-A107 PolarHBondContact O-N 3.06Å; A107-I109 PolarHBondContact O-N 2.89Å; A107-K110 PolarHBondContact O-N 3.46Å; A107-I115 VanDerWaalsContact C-CD1 3.46Å; A107-I115 HydrophobicContact CB-CD1 3.76Å; A107-I115 HydrophobicContact CB-CG2 4.37Å; A107-I115 VanDerWaalsContact O-CD1 3.32Å; A107-I115 WeakPolarHBondContact O-CD1 3.46Å
108S69.5Low79.5Confident2 Ų264.1 Ų64.11%0.01432%0.315CS..THydrogen-bonded Turntrans-59.6-22.8-177.174.70000113.7I14 F104 S105 K106 K110 S111 P112I14-S108 VanDerWaalsContact CD1-OG 3.29Å; I14-S108 WeakPolarHBondContact CD1-OG 3.41Å; F104-S108 PolarHBondContact O-N 3.14Å; S105-S108 WeakPolarHBondContact O-CB 3.32Å; S105-S108 PolarHBondContact O-N 2.98Å; S105-S108 PolarHBondContact O-OG 2.61Å; K106-S108 VanDerWaalsContact C-N 3.31Å; S108-K110 PolarHBondContact O-N 3.23Å; S108-K110 VanDerWaalsContact O-N 3.14Å; S108-S111 CarbonylContact O-C 3.54Å; S108-S111 PolarHBondContact O-N 3.29Å; S108-P112 WeakPolarHBondContact O-CA 3.45Å
109I66.4Low79Confident132 Ų13264.1 Ų64.168%0.67732%0.315SS*.THydrogen-bonded Turntrans-56.1-30.8175.4-59173.5000111.6K106 A107K106-I109 WeakPolarHBondContact O-CG1 3.36Å; A107-I109 PolarHBondContact O-N 2.89Å
110K68.9Low78.7Confident195 Ų19562.6 Ų62.685%0.84831%0.306SS*.THydrogen-bonded Turntrans-93.6-31.1-179.4-65.2-174.8-179.2-179.40113.7A107 S108A107-K110 PolarHBondContact O-N 3.46Å; S108-K110 PolarHBondContact O-N 3.23Å; S108-K110 VanDerWaalsContact O-N 3.14Å
111S70.1Confident78.6Confident60 Ų6061.2 Ų61.242%0.4231%0.308SS..SBendtrans-149.285-176.844.60000111.1S108 D113 I115S108-S111 CarbonylContact O-C 3.54Å; S108-S111 PolarHBondContact O-N 3.29Å; S111-D113 PolarHBondContact O-N 3.04Å; S111-I115 WeakPolarHBondContact O-CB 3.41Å; S111-I115 WeakPolarHBondContact O-CD1 3.41Å; S111-I115 VanDerWaalsContact O-CG1 3.25Å; S111-I115 WeakPolarHBondContact O-CG1 3.18Å; S111-I115 WeakPolarHBondContact OG-CD1 3.11Å
112P68Low78.8Confident40 Ų4062.9 Ų62.926%0.2632%0.317SS..Hα-helixtrans-63.8-45.2-162.920.3-31.9000113.9S108 I115 H116S108-P112 WeakPolarHBondContact O-CA 3.45Å; P112-I115 PolarHBondContact O-N 3.45Å; P112-H116 VanDerWaalsContact C-CD2 3.43Å; P112-H116 WeakPolarHBondContact O-CB 3.49Å; P112-H116 PolarHBondContact O-CD2 2.94Å; P112-H116 PolarHBondContact O-N 2.7Å
113D68.3Low78.8Confident33 Ų3361.6 Ų61.618%0.17631%0.31CS..Hα-helixtrans-73.9-45.7-161.7-26.3-78.4000114S111 I115 A117 S189 R193S111-D113 PolarHBondContact O-N 3.04Å; D113-I115 PolarHBondContact O-N 3.41Å; D113-A117 PolarHBondContact O-N 2.83Å; D113-S189 PolarHBondContact OD1-OG 3.31Å; D113-R193 IonicContact OD1-CZ 3.11Å; D113-R193 IonicContact OD1-NE 3.59Å; D113-R193 IonicContact OD1-NH1 3.36Å; D113-R193 PolarHBondContact OD1-NH1 2.66Å; D113-R193 IonicContact OD1-NH2 3.11Å; D113-R193 PolarHBondContact OD1-NH2 3.42Å; D113-R193 VanDerWaalsContact OD1-NH2 3.11Å; D113-R193 IonicContact OD2-CZ 2.89Å; D113-R193 IonicContact OD2-NH1 2.62Å; D113-R193 PolarHBondContact OD2-NH1 3.4Å; D113-R193 IonicContact OD2-NH2 2.63Å; D113-R193 PolarHBondContact OD2-NH2 2.88Å
114R72.1Confident79.1Confident222 Ų22257.5 Ų57.584%0.83830%0.295SS*.Hα-helixtrans-66.6-33.1179.3-68.6-171179.9-169.9-0.1110.8A118R114-A118 PolarHBondContact O-N 3.44Å; R114-A118 VanDerWaalsContact O-N 3.13Å
115I77.5Confident79.6Confident24 Ų2456.5 Ų56.512%0.12330%0.295CS..Hα-helixtrans-82.9-32.2-175.6-57.7-177.5000111.2F104 A107 S111 P112 D113 A118 G119F104-I115 VanDerWaalsContact C-CG2 3.48Å; F104-I115 HydrophobicContact CB-CG2 3.85Å; F104-I115 HydrophobicContact CD1-CG2 4.5Å; F104-I115 WeakPolarHBondContact O-CG2 3.25Å; A107-I115 VanDerWaalsContact C-CD1 3.46Å; A107-I115 HydrophobicContact CB-CD1 3.76Å; A107-I115 HydrophobicContact CB-CG2 4.37Å; A107-I115 VanDerWaalsContact O-CD1 3.32Å; A107-I115 WeakPolarHBondContact O-CD1 3.46Å; S111-I115 WeakPolarHBondContact O-CB 3.41Å; S111-I115 WeakPolarHBondContact O-CD1 3.41Å; S111-I115 VanDerWaalsContact O-CG1 3.25Å; S111-I115 WeakPolarHBondContact O-CG1 3.18Å; S111-I115 WeakPolarHBondContact OG-CD1 3.11Å; P112-I115 PolarHBondContact O-N 3.45Å; D113-I115 PolarHBondContact O-N 3.41Å; I115-A118 PolarHBondContact O-N 3.32Å; I115-G119 PolarHBondContact O-N 3.37Å
116H76.7Confident80.2Confident0 Ų056.5 Ų56.50%030%0.295CS..Hα-helixtrans-65.6-39170.4-74.9-55.9000112.3V10 P112 A118 G119 T120 H182 W186V10-H116 WeakPolarHBondContact CG1-NE2 3.42Å; P112-H116 VanDerWaalsContact C-CD2 3.43Å; P112-H116 WeakPolarHBondContact O-CB 3.49Å; P112-H116 PolarHBondContact O-CD2 2.94Å; P112-H116 PolarHBondContact O-N 2.7Å; H116-A118 VanDerWaalsContact C-N 3.35Å; H116-G119 PolarHBondContact O-N 2.79Å; H116-T120 WeakPolarHBondContact O-CB 3.41Å; H116-T120 PolarHBondContact O-N 2.85Å; H116-T120 PolarHBondContact O-OG1 2.83Å; H116-H182 AromaticContact ND1-ND1 3.94Å; H116-W186 HydrophobicContact CB-CB 4.21Å
117A79.2Confident80.8Confident47 Ų4750.7 Ų50.739%0.38827%0.271SS..Hα-helixtrans-63.1-43173.300000111.3D113 T120 L121D113-A117 PolarHBondContact O-N 2.83Å; A117-T120 PolarHBondContact O-N 3.45Å; A117-L121 PolarHBondContact O-N 2.92Å
118A83.8Confident81.7Confident24 Ų2455.6 Ų55.620%0.19828%0.284CS..Hα-helixtrans-62.3-43.6174.600000112.1F104 R114 I115 H116 L121 M122F104-A118 HydrophobicContact CD1-CB 4.38Å; F104-A118 HydrophobicContact CD2-CB 4Å; F104-A118 HydrophobicContact CE1-CB 4.5Å; F104-A118 HydrophobicContact CE2-CB 4.04Å; F104-A118 HydrophobicContact CG-CB 4.15Å; F104-A118 HydrophobicContact CZ-CB 4.32Å; R114-A118 PolarHBondContact O-N 3.44Å; R114-A118 VanDerWaalsContact O-N 3.13Å; I115-A118 PolarHBondContact O-N 3.32Å; H116-A118 VanDerWaalsContact C-N 3.35Å; A118-L121 WeakPolarHBondContact O-CB 3.49Å; A118-L121 PolarHBondContact O-N 3.38Å; A118-M122 WeakPolarHBondContact O-CG 3.3Å; A118-M122 PolarHBondContact O-N 3.12Å
119G82.3Confident82.9Confident0 Ų056.2 Ų56.20%029%0.29CS..Hα-helixtrans-65.3-41.4177.300000112.7D101 I115 H116 L121 M122 S123D101-G119 WeakPolarHBondContact OD1-CA 3.33Å; I115-G119 PolarHBondContact O-N 3.37Å; H116-G119 PolarHBondContact O-N 2.79Å; G119-L121 VanDerWaalsContact C-N 3.29Å; G119-L121 PolarHBondContact O-N 3.43Å; G119-M122 PolarHBondContact O-N 3.03Å; G119-M122 VanDerWaalsContact O-N 3.15Å; G119-S123 PolarHBondContact O-N 3.34Å; G119-S123 PolarHBondContact O-OG 3.46Å
120T86.4Confident84.3Confident24 Ų2450 Ų5015%0.14726%0.258CS..Hα-helixtrans-56.9-45.2172.4-49.80000110.8H116 A117 M122 S123 T124 H182H116-T120 WeakPolarHBondContact O-CB 3.41Å; H116-T120 PolarHBondContact O-N 2.85Å; H116-T120 PolarHBondContact O-OG1 2.83Å; A117-T120 PolarHBondContact O-N 3.45Å; T120-M122 PolarHBondContact O-N 3.41Å; T120-S123 PolarHBondContact O-OG 2.84Å; T120-T124 WeakPolarHBondContact O-CB 3.48Å; T120-T124 PolarHBondContact O-N 2.9Å; T120-T124 PolarHBondContact O-OG1 3.01Å; T120-H182 WeakPolarHBondContact OG1-CB 3.32Å
121L90.5Very high85.6Confident107 Ų10745.5 Ų45.556%0.5624%0.238SC*.Hα-helixtrans-63.5-42.5179.1-17567.5000111.3A117 A118 G119 S125A117-L121 PolarHBondContact O-N 2.92Å; A118-L121 WeakPolarHBondContact O-CB 3.49Å; A118-L121 PolarHBondContact O-N 3.38Å; G119-L121 VanDerWaalsContact C-N 3.29Å; G119-L121 PolarHBondContact O-N 3.43Å; L121-S125 WeakPolarHBondContact O-CB 3.35Å; L121-S125 PolarHBondContact O-N 3.14Å; L121-S125 PolarHBondContact O-OG 3.29Å
122M91.6Very high86.8Confident36 Ų3643.6 Ų43.618%0.17723%0.229CC..Hα-helixtrans-71.2-51-178-67.3-60.3158.100112.6M97 D101 F104 A118 G119 T120 T124 S125 A126M97-M122 HydrophobicContact CE-SD 4.3Å; M97-M122 HydrophobicContact SD-SD 3.95Å; D101-M122 HydrophobicContact CB-CB 3.78Å; F104-M122 HydrophobicContact CD2-CG 3.78Å; F104-M122 HydrophobicContact CE2-CE 3.98Å; F104-M122 HydrophobicContact CE2-CG 3.74Å; F104-M122 HydrophobicContact CE2-SD 4.5Å; A118-M122 WeakPolarHBondContact O-CG 3.3Å; A118-M122 PolarHBondContact O-N 3.12Å; G119-M122 PolarHBondContact O-N 3.03Å; G119-M122 VanDerWaalsContact O-N 3.15Å; T120-M122 PolarHBondContact O-N 3.41Å; M122-T124 VanDerWaalsContact C-N 3.33Å; M122-T124 PolarHBondContact O-N 3.32Å; M122-S125 PolarHBondContact O-N 2.9Å; M122-A126 WeakPolarHBondContact O-CB 3.2Å; M122-A126 PolarHBondContact O-N 3.5Å
123S90.6Very high88Confident0 Ų041.7 Ų41.70%022%0.216CC..Hα-helixtrans-56.4-45.817441.10000112D101 G119 T120 S125 A126 A127 S179D101-S123 VanDerWaalsContact OD2-CA 3.29Å; D101-S123 WeakPolarHBondContact OD2-CA 3.43Å; D101-S123 WeakPolarHBondContact OD2-CB 3.39Å; D101-S123 PolarHBondContact OD2-N 3.06Å; D101-S123 VanDerWaalsContact OD2-N 3.1Å; D101-S123 PolarHBondContact OD2-OG 3.3Å; G119-S123 PolarHBondContact O-N 3.34Å; G119-S123 PolarHBondContact O-OG 3.46Å; T120-S123 PolarHBondContact O-OG 2.84Å; S123-S125 VanDerWaalsContact C-N 3.33Å; S123-S125 PolarHBondContact O-N 2.8Å; S123-A126 PolarHBondContact O-N 3.26Å; S123-A127 WeakPolarHBondContact O-CB 3.27Å; S123-A127 PolarHBondContact O-N 2.91Å; S123-S179 WeakPolarHBondContact OG-CA 3.47Å
124T93.2Very high89.2Confident37 Ų3740.4 Ų40.423%0.22721%0.209CC..Hα-helixtrans-63.1-43.3179.3-58.20000111.1T120 M122 A127 F128 S179T120-T124 WeakPolarHBondContact O-CB 3.48Å; T120-T124 PolarHBondContact O-N 2.9Å; T120-T124 PolarHBondContact O-OG1 3.01Å; M122-T124 VanDerWaalsContact C-N 3.33Å; M122-T124 PolarHBondContact O-N 3.32Å; T124-A127 WeakPolarHBondContact O-CB 3.32Å; T124-A127 PolarHBondContact O-N 2.83Å; T124-F128 HydrophobicContact CG2-CD2 3.69Å; T124-F128 HydrophobicContact CG2-CE2 3.39Å; T124-F128 HydrophobicContact CG2-CZ 4.44Å; T124-F128 WeakPolarHBondContact O-CD2 3.25Å; T124-F128 PolarHBondContact O-N 3.32Å; T124-S179 PolarHBondContact OG1-OG 3.3Å
125S94.7Very high90.3Very high36 Ų3634.5 Ų34.525%0.25219%0.19SC..Hα-helixtrans-72.2-32.6179.8-58.70000111.9L121 M122 S123 F128 A129L121-S125 WeakPolarHBondContact O-CB 3.35Å; L121-S125 PolarHBondContact O-N 3.14Å; L121-S125 PolarHBondContact O-OG 3.29Å; M122-S125 PolarHBondContact O-N 2.9Å; S123-S125 VanDerWaalsContact C-N 3.33Å; S123-S125 PolarHBondContact O-N 2.8Å; S125-F128 PolarHBondContact O-N 3.48Å; S125-A129 VanDerWaalsContact O-CB 3.3Å; S125-A129 WeakPolarHBondContact O-CB 3.39Å; S125-A129 PolarHBondContact O-N 2.91Å
126A94.2Very high91Very high0 Ų034.9 Ų34.90%019%0.193CC..Hα-helixtrans-64.5-41.7169.600000111.3A94 M97 M122 S123 A129 T130 F175A94-A126 WeakPolarHBondContact CB-O 3.48Å; M97-A126 HydrophobicContact CB-CB 3.85Å; M122-A126 WeakPolarHBondContact O-CB 3.2Å; M122-A126 PolarHBondContact O-N 3.5Å; S123-A126 PolarHBondContact O-N 3.26Å; A126-A129 PolarHBondContact O-N 3.45Å; A126-T130 WeakPolarHBondContact O-CB 3.01Å; A126-T130 PolarHBondContact O-N 3.26Å; A126-T130 PolarHBondContact O-OG1 3.44Å; A126-F175 HydrophobicContact CB-CD1 4.11Å; A126-F175 HydrophobicContact CB-CD2 3.97Å; A126-F175 HydrophobicContact CB-CE1 4.1Å; A126-F175 HydrophobicContact CB-CE2 3.91Å; A126-F175 HydrophobicContact CB-CG 4.06Å; A126-F175 HydrophobicContact CB-CZ 4Å
127A95Very high91.7Very high4 Ų436.2 Ų36.23%0.03320%0.199CC..Hα-helixtrans-61.7-46.517400000111.2S123 T124 T130 F131 F172 F175S123-A127 WeakPolarHBondContact O-CB 3.27Å; S123-A127 PolarHBondContact O-N 2.91Å; T124-A127 WeakPolarHBondContact O-CB 3.32Å; T124-A127 PolarHBondContact O-N 2.83Å; A127-T130 PolarHBondContact O-N 3.29Å; A127-F131 WeakPolarHBondContact O-CB 3.21Å; A127-F131 PolarHBondContact O-N 3.47Å; A127-F172 HydrophobicContact CB-CD2 4.1Å; A127-F172 HydrophobicContact CB-CE2 4.08Å; A127-F172 VanDerWaalsContact O-CD2 3.28Å; A127-F172 WeakPolarHBondContact O-CD2 3.44Å; A127-F175 HydrophobicContact CB-CB 3.92Å
128F96.1Very high92.3Very high144 Ų14438.8 Ų38.863%0.63220%0.199SC*.Hα-helixtrans-64.3-41.4176.6-78.8-56.7000113T124 S125 T130 F131 G132T124-F128 HydrophobicContact CG2-CD2 3.69Å; T124-F128 HydrophobicContact CG2-CE2 3.39Å; T124-F128 HydrophobicContact CG2-CZ 4.44Å; T124-F128 WeakPolarHBondContact O-CD2 3.25Å; T124-F128 PolarHBondContact O-N 3.32Å; S125-F128 PolarHBondContact O-N 3.48Å; F128-T130 VanDerWaalsContact C-N 3.35Å; F128-F131 PolarHBondContact O-N 3.35Å; F128-G132 PolarHBondContact O-N 2.84Å
129A95.7Very high92.6Very high16 Ų1640.9 Ų40.913%0.13221%0.205CC..Hα-helixtrans-62.6-43.6175.100000111.1A94 S125 A126 G132 G133A94-A129 HydrophobicContact CB-CB 3.89Å; S125-A129 VanDerWaalsContact O-CB 3.3Å; S125-A129 WeakPolarHBondContact O-CB 3.39Å; S125-A129 PolarHBondContact O-N 2.91Å; A126-A129 PolarHBondContact O-N 3.45Å; A129-G132 PolarHBondContact O-N 2.95Å; A129-G133 PolarHBondContact O-N 3.38Å
130T95.3Very high92.7Very high0 Ų041.9 Ų41.90%021%0.211CC..Hα-helixtrans-62.5-47.3175.9-48.40000111.2I28 L91 A94 A126 A127 F128 G133 L134 F172I28-T130 HydrophobicContact CD1-CG2 3.76Å; I28-T130 HydrophobicContact CG1-CG2 4.23Å; L91-T130 HydrophobicContact CD2-CG2 4.01Å; A94-T130 WeakPolarHBondContact CB-OG1 3.47Å; A126-T130 WeakPolarHBondContact O-CB 3.01Å; A126-T130 PolarHBondContact O-N 3.26Å; A126-T130 PolarHBondContact O-OG1 3.44Å; A127-T130 PolarHBondContact O-N 3.29Å; F128-T130 VanDerWaalsContact C-N 3.35Å; T130-G133 PolarHBondContact O-N 3Å; T130-L134 HydrophobicContact CG2-CD1 4.13Å; T130-L134 WeakPolarHBondContact O-CB 3.3Å; T130-L134 WeakPolarHBondContact O-CG 3.41Å; T130-L134 PolarHBondContact O-N 2.66Å; T130-F172 HydrophobicContact CG2-CB 3.71Å
131F96.2Very high92.7Very high101 Ų10140.9 Ų40.944%0.44321%0.205SC..Hα-helixtrans-61.6-45.5178.4-176.8-100.1000111.8A127 F128 G133 L134 F135 F172A127-F131 WeakPolarHBondContact O-CB 3.21Å; A127-F131 PolarHBondContact O-N 3.47Å; F128-F131 PolarHBondContact O-N 3.35Å; F131-G133 VanDerWaalsContact C-N 3.34Å; F131-G133 PolarHBondContact O-N 2.91Å; F131-L134 PolarHBondContact O-N 3.27Å; F131-F135 VanDerWaalsContact O-CB 3.25Å; F131-F135 WeakPolarHBondContact O-CB 3.48Å; F131-F135 PolarHBondContact O-N 2.84Å; F131-F172 HydrophobicContact CB-CD2 3.93Å; F131-F172 HydrophobicContact CB-CE2 3.75Å; F131-F172 HydrophobicContact CB-CZ 4.38Å; F131-F172 HydrophobicContact CD2-CE1 4.24Å; F131-F172 HydrophobicContact CD2-CE2 4.19Å; F131-F172 AromaticContact CD2-CZ 3.95Å; F131-F172 HydrophobicContact CD2-CZ 3.95Å; F131-F172 HydrophobicContact CG-CE2 4.3Å; F131-F172 HydrophobicContact CG-CZ 4.47Å
132G95Very high92.5Very high21 Ų2138.3 Ų38.322%0.21619%0.191CC..Hα-helixtrans-59.7-43.7175.100000112F128 A129 F135 V136F128-G132 PolarHBondContact O-N 2.84Å; A129-G132 PolarHBondContact O-N 2.95Å; G132-F135 PolarHBondContact O-N 2.85Å; G132-V136 VanDerWaalsContact O-CG2 3.3Å; G132-V136 WeakPolarHBondContact O-CG2 3.34Å; G132-V136 PolarHBondContact O-N 2.75Å
133G93.6Very high92.2Very high0 Ų040.8 Ų40.80%020%0.199CC..Hα-helixtrans-62.1-44.8176.700000112.9S87 A129 T130 F131 F137S87-G133 WeakPolarHBondContact CB-O 3.49Å; S87-G133 PolarHBondContact OG-O 2.88Å; A129-G133 PolarHBondContact O-N 3.38Å; T130-G133 PolarHBondContact O-N 3Å; F131-G133 VanDerWaalsContact C-N 3.34Å; F131-G133 PolarHBondContact O-N 2.91Å; G133-F137 PolarHBondContact O-N 3.44Å; G133-F137 VanDerWaalsContact O-N 3.12Å
134L94.5Very high91.7Very high5 Ų543.5 Ų43.53%0.02622%0.215CC..Hα-helixtrans-63.9-42.3175.2-73.4169.9000112.2W37 T130 F131 F137 Y138 F165 A168 F169 F172W37-L134 HydrophobicContact CZ3-CD2 4.37Å; T130-L134 HydrophobicContact CG2-CD1 4.13Å; T130-L134 WeakPolarHBondContact O-CB 3.3Å; T130-L134 WeakPolarHBondContact O-CG 3.41Å; T130-L134 PolarHBondContact O-N 2.66Å; F131-L134 PolarHBondContact O-N 3.27Å; L134-F137 PolarHBondContact O-N 3.33Å; L134-Y138 WeakPolarHBondContact O-CB 3.49Å; L134-Y138 PolarHBondContact O-N 2.87Å; L134-F165 HydrophobicContact CB-CE2 4.26Å; L134-F165 HydrophobicContact CD2-CD2 3.83Å; L134-F165 HydrophobicContact CD2-CE2 3.74Å; L134-F165 HydrophobicContact CD2-CG 4.4Å; L134-F165 HydrophobicContact CD2-CZ 4.23Å; L134-A168 HydrophobicContact CD2-CB 3.68Å; L134-A168 HydrophobicContact CG-CB 4.46Å; L134-F169 HydrophobicContact CD1-CB 4.18Å; L134-F169 HydrophobicContact CD1-CD2 4.24Å; L134-F172 HydrophobicContact CD1-CB 4.15Å
135F95Very high91.2Very high98 Ų9843.7 Ų43.743%0.4321%0.214SC..Hα-helixtrans-65.3-47-179.4-176.8-98.6000111.6F131 G132 F137 Y138 E139F131-F135 VanDerWaalsContact O-CB 3.25Å; F131-F135 WeakPolarHBondContact O-CB 3.48Å; F131-F135 PolarHBondContact O-N 2.84Å; G132-F135 PolarHBondContact O-N 2.85Å; F135-F137 VanDerWaalsContact C-N 3.28Å; F135-F137 PolarHBondContact O-N 3.33Å; F135-Y138 PolarHBondContact O-N 2.88Å; F135-Y138 VanDerWaalsContact O-N 3.17Å; F135-E139 HydrophobicContact CD1-CG 4.34Å; F135-E139 HydrophobicContact CE1-CG 3.89Å; F135-E139 WeakPolarHBondContact CE1-OE1 3.49Å; F135-E139 HydrophobicContact CZ-CG 4.02Å; F135-E139 WeakPolarHBondContact CZ-OE1 3.15Å; F135-E139 PolarHBondContact O-N 3.5Å
136V92.4Very high90.7Very high33 Ų3348.8 Ų48.820%0.223%0.229CC..Hα-helixtrans-60.1-40.3175.3172.20000111.1T83 T86 L90 G132 N140T83-V136 WeakPolarHBondContact O-CG1 3.48Å; T86-V136 HydrophobicContact CG2-CG1 4.33Å; T86-V136 HydrophobicContact CG2-CG2 4.38Å; L90-V136 HydrophobicContact CD1-CG2 4.28Å; G132-V136 VanDerWaalsContact O-CG2 3.3Å; G132-V136 WeakPolarHBondContact O-CG2 3.34Å; G132-V136 PolarHBondContact O-N 2.75Å; V136-N140 WeakPolarHBondContact O-CB 3.25Å; V136-N140 PolarHBondContact O-N 3.33Å; V136-N140 VanDerWaalsContact O-N 3.11Å
137F90.2Very high90.1Very high27 Ų2749.9 Ų49.912%0.11824%0.238CC..Hα-helixtrans-63.2-47.5174.5-178.3-89.2000111.8W37 Q38 G133 L134 F135 E139 N140 A141 L161 F165W37-F137 HydrophobicContact CB-CE1 4.1Å; W37-F137 HydrophobicContact CB-CE2 3.67Å; W37-F137 HydrophobicContact CB-CZ 3.37Å; W37-F137 HydrophobicContact CD2-CE2 4.32Å; W37-F137 HydrophobicContact CE3-CD1 4.13Å; W37-F137 AromaticContact CE3-CD2 3.96Å; W37-F137 HydrophobicContact CE3-CD2 3.96Å; W37-F137 HydrophobicContact CE3-CE1 4.23Å; W37-F137 HydrophobicContact CE3-CE2 4.07Å; W37-F137 HydrophobicContact CE3-CG 4.02Å; W37-F137 HydrophobicContact CE3-CZ 4.24Å; W37-F137 HydrophobicContact CG-CE2 4.22Å; W37-F137 HydrophobicContact CG-CZ 4.3Å; W37-F137 HydrophobicContact CZ3-CG 4.48Å; Q38-F137 HydrophobicContact CB-CE1 4.35Å; Q38-F137 HydrophobicContact CB-CZ 3.94Å; G133-F137 PolarHBondContact O-N 3.44Å; G133-F137 VanDerWaalsContact O-N 3.12Å; L134-F137 PolarHBondContact O-N 3.33Å; F135-F137 VanDerWaalsContact C-N 3.28Å; F135-F137 PolarHBondContact O-N 3.33Å; F137-E139 PolarHBondContact O-N 3.15Å; F137-N140 WeakPolarHBondContact O-CB 3.33Å; F137-N140 PolarHBondContact O-N 3.25Å; F137-N140 VanDerWaalsContact O-N 3.13Å; F137-A141 HydrophobicContact CE1-CB 4.32Å; F137-A141 PolarHBondContact O-N 2.86Å; F137-L161 HydrophobicContact CE1-CD2 4.29Å; F137-F165 AromaticContact CD1-CD2 3.69Å; F137-F165 HydrophobicContact CD1-CD2 3.69Å; F137-F165 HydrophobicContact CD1-CE2 4.14Å; F137-F165 HydrophobicContact CE1-CD2 4.18Å
138Y91.3Very high89.2Confident101 Ų10151.5 Ų51.540%0.39625%0.246SC..Hα-helixtrans-61.6-43.6-179.1-178.8-104.7000112L134 F135 N140 A141 L142 L161L134-Y138 WeakPolarHBondContact O-CB 3.49Å; L134-Y138 PolarHBondContact O-N 2.87Å; F135-Y138 PolarHBondContact O-N 2.88Å; F135-Y138 VanDerWaalsContact O-N 3.17Å; Y138-N140 VanDerWaalsContact C-N 3.3Å; Y138-N140 PolarHBondContact O-N 3.03Å; Y138-A141 WeakPolarHBondContact O-CB 3.39Å; Y138-A141 PolarHBondContact O-N 3.1Å; Y138-L142 HydrophobicContact CD1-CD1 4.05Å; Y138-L142 HydrophobicContact CE1-CD1 3.51Å; Y138-L142 HydrophobicContact CE1-CG 4.13Å; Y138-L142 PolarHBondContact O-N 2.93Å; Y138-L161 HydrophobicContact CD2-CD1 3.79Å; Y138-L161 HydrophobicContact CD2-CD2 4.13Å; Y138-L161 HydrophobicContact CE2-CD1 3.91Å
139E90.5Very high88.4Confident69 Ų6953 Ų5332%0.32225%0.247SC..Hα-helixtrans-59.3-42.5172.8-75.7-159170.700112F135 F137 A141 L142 R143F135-E139 HydrophobicContact CD1-CG 4.34Å; F135-E139 HydrophobicContact CE1-CG 3.89Å; F135-E139 WeakPolarHBondContact CE1-OE1 3.49Å; F135-E139 HydrophobicContact CZ-CG 4.02Å; F135-E139 WeakPolarHBondContact CZ-OE1 3.15Å; F135-E139 PolarHBondContact O-N 3.5Å; F137-E139 PolarHBondContact O-N 3.15Å; E139-A141 VanDerWaalsContact C-N 3.35Å; E139-L142 PolarHBondContact O-N 2.96Å; E139-R143 WeakPolarHBondContact O-CD 3.44Å; E139-R143 WeakPolarHBondContact O-CG 3.47Å; E139-R143 PolarHBondContact O-N 2.91Å; E139-R143 IonicContact OE2-CZ 3.83Å; E139-R143 IonicContact OE2-NH2 2.9Å; E139-R143 PolarHBondContact OE2-NH2 3.44Å
140N85.9Confident87.7Confident21 Ų2156.7 Ų56.711%0.11226%0.264CS..Hα-helixtrans-63.7-40.8176.6-170.949.9000111.9T83 V136 F137 Y138 L142 R143 V144T83-N140 PolarHBondContact OG1-OD1 3.21Å; V136-N140 WeakPolarHBondContact O-CB 3.25Å; V136-N140 PolarHBondContact O-N 3.33Å; V136-N140 VanDerWaalsContact O-N 3.11Å; F137-N140 WeakPolarHBondContact O-CB 3.33Å; F137-N140 PolarHBondContact O-N 3.25Å; F137-N140 VanDerWaalsContact O-N 3.13Å; Y138-N140 VanDerWaalsContact C-N 3.3Å; Y138-N140 PolarHBondContact O-N 3.03Å; N140-L142 VanDerWaalsContact C-N 3.35Å; N140-L142 PolarHBondContact O-N 3.24Å; N140-R143 WeakPolarHBondContact O-CB 3.05Å; N140-R143 PolarHBondContact O-N 3.39Å; N140-V144 WeakPolarHBondContact O-CG2 3.34Å; N140-V144 PolarHBondContact O-N 3.26Å
141A85.8Confident86.9Confident3 Ų361.7 Ų61.73%0.02529%0.286CS..Hα-helixtrans-60.7-43.5176.100000111.9Q38 F137 Y138 E139 V144 I145 L161Q38-A141 HydrophobicContact CG-CB 4.46Å; Q38-A141 PolarHBondContact NE2-O 2.75Å; F137-A141 HydrophobicContact CE1-CB 4.32Å; F137-A141 PolarHBondContact O-N 2.86Å; Y138-A141 WeakPolarHBondContact O-CB 3.39Å; Y138-A141 PolarHBondContact O-N 3.1Å; E139-A141 VanDerWaalsContact C-N 3.35Å; A141-V144 PolarHBondContact O-N 2.94Å; A141-I145 WeakPolarHBondContact O-CG1 3.47Å; A141-I145 PolarHBondContact O-N 2.86Å; A141-I145 VanDerWaalsContact O-N 3.15Å; A141-L161 HydrophobicContact CB-CD2 4.34Å
142L86.6Confident85.8Confident53 Ų5362.5 Ų62.528%0.27729%0.29SS..Hα-helixtrans-62.5-43.4174.4-71.9178.2000112Y138 E139 N140 V144 I145 Y146Y138-L142 HydrophobicContact CD1-CD1 4.05Å; Y138-L142 HydrophobicContact CE1-CD1 3.51Å; Y138-L142 HydrophobicContact CE1-CG 4.13Å; Y138-L142 PolarHBondContact O-N 2.93Å; E139-L142 PolarHBondContact O-N 2.96Å; N140-L142 VanDerWaalsContact C-N 3.35Å; N140-L142 PolarHBondContact O-N 3.24Å; L142-V144 VanDerWaalsContact C-N 3.3Å; L142-V144 PolarHBondContact O-N 3.33Å; L142-I145 PolarHBondContact O-N 3.44Å; L142-I145 VanDerWaalsContact O-N 3.14Å; L142-Y146 HydrophobicContact CB-CD2 4.33Å; L142-Y146 HydrophobicContact CB-CE2 4.1Å; L142-Y146 WeakPolarHBondContact O-CD2 3.02Å; L142-Y146 PolarHBondContact O-N 3.09Å
143R83.7Confident84.8Confident88 Ų8865.5 Ų65.533%0.33231%0.305SS..Hα-helixtrans-58.9-40.6177.2-73.7160.4-178.6-162.119.4112.2F78 E139 N140 Y146 A147F78-R143 HydrophobicContact CD1-CB 4.12Å; F78-R143 HydrophobicContact CD1-CG 4.28Å; F78-R143 HydrophobicContact CE1-CB 3.45Å; F78-R143 VanDerWaalsContact CE1-CB 3.45Å; F78-R143 HydrophobicContact CE1-CG 3.34Å; F78-R143 HydrophobicContact CE2-CB 4.37Å; F78-R143 HydrophobicContact CZ-CB 3.55Å; F78-R143 HydrophobicContact CZ-CG 3.69Å; E139-R143 WeakPolarHBondContact O-CD 3.44Å; E139-R143 WeakPolarHBondContact O-CG 3.47Å; E139-R143 PolarHBondContact O-N 2.91Å; E139-R143 IonicContact OE2-CZ 3.83Å; E139-R143 IonicContact OE2-NH2 2.9Å; E139-R143 PolarHBondContact OE2-NH2 3.44Å; N140-R143 WeakPolarHBondContact O-CB 3.05Å; N140-R143 PolarHBondContact O-N 3.39Å; R143-Y146 PolarHBondContact O-N 3.01Å; R143-A147 WeakPolarHBondContact O-CB 3.21Å; R143-A147 PolarHBondContact O-N 3.37Å
144V81.5Confident83.7Confident56 Ų5670.6 Ų70.634%0.33933%0.332SS..Hα-helixtrans-63-43.8174.5172.50000111.3N140 A141 L142 A147 L148N140-V144 WeakPolarHBondContact O-CG2 3.34Å; N140-V144 PolarHBondContact O-N 3.26Å; A141-V144 PolarHBondContact O-N 2.94Å; L142-V144 VanDerWaalsContact C-N 3.3Å; L142-V144 PolarHBondContact O-N 3.33Å; V144-A147 PolarHBondContact O-N 2.91Å; V144-L148 HydrophobicContact CG1-CD1 4.3Å; V144-L148 WeakPolarHBondContact O-CG 3.44Å; V144-L148 PolarHBondContact O-N 3.08Å
145I82.9Confident82.4Confident42 Ų4272.8 Ų72.822%0.21534%0.344CS..Hα-helixtrans-63.2-46.6177.5-64.6163.4000110.8A141 L142 A147 L148 W149A141-I145 WeakPolarHBondContact O-CG1 3.47Å; A141-I145 PolarHBondContact O-N 2.86Å; A141-I145 VanDerWaalsContact O-N 3.15Å; L142-I145 PolarHBondContact O-N 3.44Å; L142-I145 VanDerWaalsContact O-N 3.14Å; I145-A147 VanDerWaalsContact C-N 3.31Å; I145-A147 PolarHBondContact O-N 3.22Å; I145-L148 WeakPolarHBondContact O-CB 3.45Å; I145-L148 PolarHBondContact O-N 3.3Å; I145-L148 VanDerWaalsContact O-N 3.16Å; I145-W149 PolarHBondContact O-N 3.19Å
146Y82.8Confident81.2Confident143 Ų14370.3 Ų70.356%0.56134%0.335SS*.Hα-helixtrans-61.6-39.2177-72.6-55.8000112.2L142 R143 W149 L150L142-Y146 HydrophobicContact CB-CD2 4.33Å; L142-Y146 HydrophobicContact CB-CE2 4.1Å; L142-Y146 WeakPolarHBondContact O-CD2 3.02Å; L142-Y146 PolarHBondContact O-N 3.09Å; R143-Y146 PolarHBondContact O-N 3.01Å; Y146-W149 PolarHBondContact O-N 3.45Å; Y146-L150 WeakPolarHBondContact O-CB 3.47Å; Y146-L150 WeakPolarHBondContact O-CG 3.3Å; Y146-L150 PolarHBondContact O-N 3.33Å
147A81.3Confident80.1Confident22 Ų2270.7 Ų70.718%0.18233%0.334CS..Hα-helixtrans-62.8-42.5174.300000111.8R143 V144 I145 W149 L150 F151R143-A147 WeakPolarHBondContact O-CB 3.21Å; R143-A147 PolarHBondContact O-N 3.37Å; V144-A147 PolarHBondContact O-N 2.91Å; I145-A147 VanDerWaalsContact C-N 3.31Å; I145-A147 PolarHBondContact O-N 3.22Å; A147-W149 VanDerWaalsContact C-N 3.34Å; A147-W149 PolarHBondContact O-N 3.42Å; A147-L150 PolarHBondContact O-N 2.89Å; A147-F151 HydrophobicContact CB-CD2 4.14Å; A147-F151 HydrophobicContact CB-CE2 4.3Å; A147-F151 WeakPolarHBondContact O-CB 3.29Å; A147-F151 WeakPolarHBondContact O-CD2 3.42Å; A147-F151 PolarHBondContact O-N 3.22Å
148L77.7Confident79.1Confident38 Ų3875.5 Ų75.520%0.19936%0.357CS..Hα-helixtrans-61.5-43.3175.5-73168.2000111.9V40 L42 V144 I145 L150 K152V40-L148 HydrophobicContact CG1-CD1 3.72Å; L42-L148 HydrophobicContact CD2-CD1 4.22Å; L42-L148 HydrophobicContact CD2-CD2 4.13Å; V144-L148 HydrophobicContact CG1-CD1 4.3Å; V144-L148 WeakPolarHBondContact O-CG 3.44Å; V144-L148 PolarHBondContact O-N 3.08Å; I145-L148 WeakPolarHBondContact O-CB 3.45Å; I145-L148 PolarHBondContact O-N 3.3Å; I145-L148 VanDerWaalsContact O-N 3.16Å; L148-L150 PolarHBondContact O-N 2.94Å; L148-K152 CarbonylContact O-C 3.59Å; L148-K152 WeakPolarHBondContact O-CA 3.44Å; L148-K152 PolarHBondContact O-N 3.4Å
149W78.8Confident78.3Confident176 Ų17672.5 Ų72.567%0.66735%0.351SS*.Hα-helixtrans-63.5-40.6178.5-163.179.4000112.5I145 Y146 A147 H157I145-W149 PolarHBondContact O-N 3.19Å; Y146-W149 PolarHBondContact O-N 3.45Å; A147-W149 VanDerWaalsContact C-N 3.34Å; A147-W149 PolarHBondContact O-N 3.42Å; W149-H157 AromaticContact CD1-CE1 3.86Å
150L80.6Confident77.9Confident93 Ų9375.3 Ų75.349%0.48736%0.359SS..Hα-helixtrans-75.6-44.8-179.9-70.8171.1000113.5Y146 A147 L148Y146-L150 WeakPolarHBondContact O-CB 3.47Å; Y146-L150 WeakPolarHBondContact O-CG 3.3Å; Y146-L150 PolarHBondContact O-N 3.33Å; A147-L150 PolarHBondContact O-N 2.89Å; L148-L150 PolarHBondContact O-N 2.94Å
151F78.8Confident77.8Confident105 Ų10576 Ų7646%0.46136%0.363SS..Hα-helixtrans-90.7-18.6-171.7-66.4-63.8000114.1A147A147-F151 HydrophobicContact CB-CD2 4.14Å; A147-F151 HydrophobicContact CB-CE2 4.3Å; A147-F151 WeakPolarHBondContact O-CB 3.29Å; A147-F151 WeakPolarHBondContact O-CD2 3.42Å; A147-F151 PolarHBondContact O-N 3.22Å
152K73.4Confident77.8Confident118 Ų11876 Ų7651%0.51336%0.363SS..  trans-137.962.1-176.4-62.5-66.8178.1-175.70111.7L148 N154 I155L148-K152 CarbonylContact O-C 3.59Å; L148-K152 WeakPolarHBondContact O-CA 3.44Å; L148-K152 PolarHBondContact O-N 3.4Å; K152-N154 PolarHBondContact O-N 3.13Å; K152-I155 HydrophobicContact CB-CB 4.19Å; K152-I155 HydrophobicContact CB-CD1 3.78Å; K152-I155 HydrophobicContact CB-CG1 3.99Å; K152-I155 HydrophobicContact CD-CD1 4.03Å; K152-I155 HydrophobicContact CG-CD1 3.94Å; K152-I155 PolarHBondContact O-N 3.42Å
153P74.1Confident77.8Confident85 Ų8581.6 Ų81.655%0.55238%0.382SS*.THydrogen-bonded Turntrans-62.7-18.3-177.527.1-36.4000113.9
154N70.7Confident78.1Confident106 Ų10677.5 Ų77.557%0.56737%0.366SS*.THydrogen-bonded Turntrans-84.5-6.9177.6-65.3-35.3000113.8R45 K152R45-N154 WeakPolarHBondContact CB-O 3.46Å; K152-N154 PolarHBondContact O-N 3.13Å
155I67.1Low78.5Confident51 Ų5175.7 Ų75.726%0.26235%0.354SS..EExtended strand (participates in β ladder)trans-101119.7178.3-58.3-178.5000108L42 K152 H157L42-I155 HydrophobicContact CB-CG2 4.04Å; L42-I155 HydrophobicContact CD2-CG2 3.92Å; K152-I155 HydrophobicContact CB-CB 4.19Å; K152-I155 HydrophobicContact CB-CD1 3.78Å; K152-I155 HydrophobicContact CB-CG1 3.99Å; K152-I155 HydrophobicContact CD-CD1 4.03Å; K152-I155 HydrophobicContact CG-CD1 3.94Å; K152-I155 PolarHBondContact O-N 3.42Å; I155-H157 PolarHBondContact O-N 3.29Å; I155-H157 PolarHBondContact O-ND1 2.85Å
156I69.7Low79Confident47 Ų4780.2 Ų80.224%0.24137%0.368CS..EExtended strand (participates in β ladder)trans-73.4126.7168-63.7169.1000106.1V43 R45 E48V43-I156 HydrophobicContact CB-CB 4.31Å; V43-I156 PolarHBondContact N-O 3.28Å; V43-I156 PolarHBondContact O-N 3.25Å; V43-I156 VanDerWaalsContact O-O 3.09Å; R45-I156 HydrophobicContact CB-CD1 4.17Å; R45-I156 HydrophobicContact CB-CG1 4.25Å; R45-I156 HydrophobicContact CG-CD1 4.03Å; R45-I156 HydrophobicContact CG-CG1 4.43Å; E48-I156 WeakPolarHBondContact OE2-CD1 3.32Å
157H68.9Low79.5Confident41 Ų4178.2 Ų78.219%0.1936%0.363CS..EExtended strand (participates in β ladder)trans-124.2135.1176.856.2-86.3000109T41 L42 W149 I155T41-H157 VanDerWaalsContact O-CA 3.28Å; T41-H157 WeakPolarHBondContact O-CA 3.45Å; L42-H157 HydrophobicContact CD2-CB 3.93Å; W149-H157 AromaticContact CD1-CE1 3.86Å; I155-H157 PolarHBondContact O-N 3.29Å; I155-H157 PolarHBondContact O-ND1 2.85Å
158E69.7Low80.1Confident128 Ų12877.2 Ų77.260%0.59835%0.354SS*.EExtended strand (participates in β ladder)trans-110.4132.9162.9-55.2-179.7154.900107.3V40 T41V40-E158 WeakPolarHBondContact CA-O 3.43Å; T41-E158 PolarHBondContact N-O 2.98Å; T41-E158 PolarHBondContact O-N 3.43Å; T41-E158 WeakPolarHBondContact OG1-CB 3.36Å; T41-E158 PolarHBondContact OG1-O 2.88Å
159S74.2Confident80.9Confident37 Ų3779.1 Ų79.126%0.25936%0.361SS..EExtended strand (participates in β ladder)trans-130.2134.2175.9-1720000110.2Q38 V39Q38-S159 PolarHBondContact NE2-OG 3.35Å; V39-S159 WeakPolarHBondContact O-CA 3.39Å; V39-S159 PolarHBondContact O-OG 3.41Å
160Y81Confident81.8Confident129 Ų12972.3 Ų72.351%0.50634%0.342SS..EExtended strand (participates in β ladder)trans-138.6154.1175.256.5-88000110.2V39V39-Y160 HydrophobicContact CB-CD1 4.34Å; V39-Y160 HydrophobicContact CB-CD2 4.03Å; V39-Y160 HydrophobicContact CB-CE1 3.85Å; V39-Y160 HydrophobicContact CB-CE2 3.51Å; V39-Y160 HydrophobicContact CB-CG 4.42Å; V39-Y160 VanDerWaalsContact CB-CZ 3.42Å; V39-Y160 HydrophobicContact CG1-CE1 3.83Å; V39-Y160 HydrophobicContact CG1-CE2 4.1Å; V39-Y160 VanDerWaalsContact CG1-CZ 3.49Å; V39-Y160 VanDerWaalsContact CG1-OH 3.32Å; V39-Y160 WeakPolarHBondContact CG1-OH 3.46Å; V39-Y160 HydrophobicContact CG2-CD2 4.28Å; V39-Y160 HydrophobicContact CG2-CE2 3.6Å; V39-Y160 PolarHBondContact N-O 3.33Å; V39-Y160 PolarHBondContact O-N 3.12Å
161L85.3Confident82.4Confident36 Ų3667.9 Ų67.919%0.18832%0.319CS..EExtended strand (participates in β ladder)trans-72.2129.5173.8-61.3172.7000108.8F137 Y138 A141 F165F137-L161 HydrophobicContact CE1-CD2 4.29Å; Y138-L161 HydrophobicContact CD2-CD1 3.79Å; Y138-L161 HydrophobicContact CD2-CD2 4.13Å; Y138-L161 HydrophobicContact CE2-CD1 3.91Å; A141-L161 HydrophobicContact CB-CD2 4.34Å; L161-F165 HydrophobicContact CB-CB 4.22Å; L161-F165 HydrophobicContact CB-CD1 4.03Å; L161-F165 HydrophobicContact CB-CG 4.13Å; L161-F165 HydrophobicContact CD1-CD1 3.67Å; L161-F165 HydrophobicContact CD1-CD2 4.48Å; L161-F165 HydrophobicContact CD1-CE1 3.54Å; L161-F165 HydrophobicContact CD1-CE2 4.34Å; L161-F165 HydrophobicContact CD1-CG 4.15Å; L161-F165 HydrophobicContact CD1-CZ 3.89Å; L161-F165 HydrophobicContact CD2-CD2 4.31Å; L161-F165 HydrophobicContact CD2-CG 4.33Å; L161-F165 HydrophobicContact CG-CD1 4.33Å; L161-F165 HydrophobicContact CG-CG 4.44Å
162G84.2Confident83.2Confident3 Ų364.3 Ų64.33%0.03130%0.303CS..  trans-78.1174-17800000112.7L36 W37 S164 F165L36-G162 CarbonylContact O-C 3.45Å; L36-G162 WeakPolarHBondContact O-CA 3.21Å; W37-G162 PolarHBondContact O-N 2.92Å; G162-S164 VanDerWaalsContact C-N 3.27Å; G162-S164 PolarHBondContact O-N 2.72Å; G162-F165 WeakPolarHBondContact O-CB 3.26Å; G162-F165 PolarHBondContact O-N 2.82Å
163Y87.6Confident84.4Confident170 Ų17061.2 Ų61.267%0.66730%0.296SS*.Hα-helixtrans-59.3-35.8-176.5-65.4-67.3000113.2L36 F165 W166 F167L36-Y163 PolarHBondContact O-N 3.45Å; Y163-F165 VanDerWaalsContact C-N 3.32Å; Y163-F165 PolarHBondContact O-N 3.39Å; Y163-W166 PolarHBondContact O-N 2.96Å; Y163-W166 VanDerWaalsContact O-N 3.13Å; Y163-F167 WeakPolarHBondContact O-CD2 3.49Å; Y163-F167 PolarHBondContact O-N 3.38Å
164S88.9Confident85.4Confident1 Ų160.4 Ų60.41%0.00728%0.284CS..Hα-helixtrans-58.5-45.8179.7-53.60000110.7S31 T34 L36 G162 W166 F167 A168S31-S164 WeakPolarHBondContact CB-O 3.29Å; S31-S164 VanDerWaalsContact OG-C 3.24Å; S31-S164 PolarHBondContact OG-O 3.48Å; T34-S164 WeakPolarHBondContact CB-OG 3.33Å; T34-S164 PolarHBondContact O-OG 3.28Å; T34-S164 VanDerWaalsContact O-OG 3.07Å; T34-S164 PolarHBondContact OG1-OG 3.08Å; L36-S164 PolarHBondContact N-OG 3.09Å; L36-S164 VanDerWaalsContact O-CB 3.31Å; L36-S164 WeakPolarHBondContact O-CB 3.48Å; L36-S164 PolarHBondContact O-N 2.82Å; L36-S164 PolarHBondContact O-OG 3.34Å; G162-S164 VanDerWaalsContact C-N 3.27Å; G162-S164 PolarHBondContact O-N 2.72Å; S164-W166 VanDerWaalsContact C-N 3.3Å; S164-W166 PolarHBondContact O-N 3.48Å; S164-F167 WeakPolarHBondContact O-CB 3.33Å; S164-F167 PolarHBondContact O-N 3.05Å; S164-F167 VanDerWaalsContact O-N 3.07Å; S164-A168 PolarHBondContact O-N 3.21Å
165F91.2Very high86.5Confident18 Ų1855.4 Ų55.48%0.07926%0.257CS..Hα-helixtrans-54.4-46.9175.9-179.5-87.1000112W37 L134 F137 L161 G162 Y163 A168 F169W37-F165 HydrophobicContact CE3-CB 4.46Å; L134-F165 HydrophobicContact CB-CE2 4.26Å; L134-F165 HydrophobicContact CD2-CD2 3.83Å; L134-F165 HydrophobicContact CD2-CE2 3.74Å; L134-F165 HydrophobicContact CD2-CG 4.4Å; L134-F165 HydrophobicContact CD2-CZ 4.23Å; F137-F165 AromaticContact CD1-CD2 3.69Å; F137-F165 HydrophobicContact CD1-CD2 3.69Å; F137-F165 HydrophobicContact CD1-CE2 4.14Å; F137-F165 HydrophobicContact CE1-CD2 4.18Å; L161-F165 HydrophobicContact CB-CB 4.22Å; L161-F165 HydrophobicContact CB-CD1 4.03Å; L161-F165 HydrophobicContact CB-CG 4.13Å; L161-F165 HydrophobicContact CD1-CD1 3.67Å; L161-F165 HydrophobicContact CD1-CD2 4.48Å; L161-F165 HydrophobicContact CD1-CE1 3.54Å; L161-F165 HydrophobicContact CD1-CE2 4.34Å; L161-F165 HydrophobicContact CD1-CG 4.15Å; L161-F165 HydrophobicContact CD1-CZ 3.89Å; L161-F165 HydrophobicContact CD2-CD2 4.31Å; L161-F165 HydrophobicContact CD2-CG 4.33Å; L161-F165 HydrophobicContact CG-CD1 4.33Å; L161-F165 HydrophobicContact CG-CG 4.44Å; G162-F165 WeakPolarHBondContact O-CB 3.26Å; G162-F165 PolarHBondContact O-N 2.82Å; Y163-F165 VanDerWaalsContact C-N 3.32Å; Y163-F165 PolarHBondContact O-N 3.39Å; F165-A168 PolarHBondContact O-N 3.45Å; F165-F169 WeakPolarHBondContact O-CB 3.41Å; F165-F169 PolarHBondContact O-N 2.68Å
166W93.9Very high87.8Confident137 Ų13756.1 Ų56.152%0.51926%0.261SS..Hα-helixtrans-69.1-31.7179.5-66.5110.9000113.2Y163 S164 F169 A170Y163-W166 PolarHBondContact O-N 2.96Å; Y163-W166 VanDerWaalsContact O-N 3.13Å; S164-W166 VanDerWaalsContact C-N 3.3Å; S164-W166 PolarHBondContact O-N 3.48Å; W166-F169 HydrophobicContact CE3-CB 4.46Å; W166-F169 HydrophobicContact CE3-CD1 4.14Å; W166-F169 HydrophobicContact CE3-CG 4.43Å; W166-F169 HydrophobicContact CZ3-CD1 4.27Å; W166-F169 PolarHBondContact O-N 3.48Å; W166-A170 WeakPolarHBondContact O-CB 3.47Å; W166-A170 PolarHBondContact O-N 3.09Å
167F92.5Very high89Confident102 Ų10255.6 Ų55.645%0.44726%0.264SS..Hα-helixtrans-65.9-45.2171.1-84.5-69.6000112S27 Y163 S164 F169 A170 G171S27-F167 PolarHBondContact OG-O 3.29Å; Y163-F167 WeakPolarHBondContact O-CD2 3.49Å; Y163-F167 PolarHBondContact O-N 3.38Å; S164-F167 WeakPolarHBondContact O-CB 3.33Å; S164-F167 PolarHBondContact O-N 3.05Å; S164-F167 VanDerWaalsContact O-N 3.07Å; F167-F169 VanDerWaalsContact C-N 3.31Å; F167-F169 PolarHBondContact O-N 3.34Å; F167-A170 WeakPolarHBondContact O-CB 3.33Å; F167-A170 PolarHBondContact O-N 3.42Å; F167-G171 PolarHBondContact O-N 3.49Å
168A93.8Very high90.1Very high0 Ų053.7 Ų53.70%026%0.255CS..Hα-helixtrans-64.7-37174.100000111.8S31 W37 L91 L134 S164 F165 G171 F172S31-A168 WeakPolarHBondContact OG-CB 3.49Å; W37-A168 HydrophobicContact CH2-CB 3.96Å; W37-A168 HydrophobicContact CZ3-CB 4.35Å; L91-A168 HydrophobicContact CD2-CB 4.49Å; L134-A168 HydrophobicContact CD2-CB 3.68Å; L134-A168 HydrophobicContact CG-CB 4.46Å; S164-A168 PolarHBondContact O-N 3.21Å; F165-A168 PolarHBondContact O-N 3.45Å; A168-G171 WeakPolarHBondContact O-CA 3.43Å; A168-G171 PolarHBondContact O-N 3.12Å; A168-G171 VanDerWaalsContact O-N 3.16Å; A168-F172 PolarHBondContact O-N 3.35Å
169F95.5Very high91.1Very high78 Ų7848 Ų4834%0.34223%0.229SC..Hα-helixtrans-62.1-41.8172.7-176.5-99.7000112.5L134 F165 W166 F167 G171 F172 C173L134-F169 HydrophobicContact CD1-CB 4.18Å; L134-F169 HydrophobicContact CD1-CD2 4.24Å; F165-F169 WeakPolarHBondContact O-CB 3.41Å; F165-F169 PolarHBondContact O-N 2.68Å; W166-F169 HydrophobicContact CE3-CB 4.46Å; W166-F169 HydrophobicContact CE3-CD1 4.14Å; W166-F169 HydrophobicContact CE3-CG 4.43Å; W166-F169 HydrophobicContact CZ3-CD1 4.27Å; W166-F169 PolarHBondContact O-N 3.48Å; F167-F169 VanDerWaalsContact C-N 3.31Å; F167-F169 PolarHBondContact O-N 3.34Å; F169-G171 VanDerWaalsContact C-N 3.29Å; F169-G171 PolarHBondContact O-N 3.25Å; F169-F172 HydrophobicContact CD2-CD1 4.25Å; F169-F172 HydrophobicContact CE2-CD1 4.11Å; F169-F172 HydrophobicContact CE2-CE1 4.42Å; F169-F172 WeakPolarHBondContact O-CB 3.34Å; F169-F172 PolarHBondContact O-N 2.75Å; F169-C173 PolarHBondContact O-N 3.4Å; F169-C173 PolarHBondContact O-SG 3.32Å
170A95.8Very high92Very high33 Ų3351.5 Ų51.527%0.27324%0.24SC..Hα-helixtrans-60.1-41.2172.300000111.4W166 F167 F172 C173 F174W166-A170 WeakPolarHBondContact O-CB 3.47Å; W166-A170 PolarHBondContact O-N 3.09Å; F167-A170 WeakPolarHBondContact O-CB 3.33Å; F167-A170 PolarHBondContact O-N 3.42Å; A170-F172 PolarHBondContact O-N 2.89Å; A170-C173 WeakPolarHBondContact O-CB 3.49Å; A170-C173 PolarHBondContact O-N 3.19Å; A170-C173 VanDerWaalsContact O-N 3.17Å; A170-F174 HydrophobicContact CB-CE2 4.26Å; A170-F174 WeakPolarHBondContact O-CD2 3.48Å; A170-F174 WeakPolarHBondContact O-CG 3.13Å; A170-F174 PolarHBondContact O-N 3.38Å
171G94.7Very high92.4Very high0 Ų046.9 Ų46.90%022%0.224CC..Hα-helixtrans-58.2-44.4173.500000113.2A24 F167 A168 F169 C173 F174 F175A24-G171 WeakPolarHBondContact CB-O 3Å; F167-G171 PolarHBondContact O-N 3.49Å; A168-G171 WeakPolarHBondContact O-CA 3.43Å; A168-G171 PolarHBondContact O-N 3.12Å; A168-G171 VanDerWaalsContact O-N 3.16Å; F169-G171 VanDerWaalsContact C-N 3.29Å; F169-G171 PolarHBondContact O-N 3.25Å; G171-C173 PolarHBondContact O-N 3.13Å; G171-F174 PolarHBondContact O-N 2.81Å; G171-F175 PolarHBondContact O-N 2.72Å
172F96Very high92.5Very high30 Ų3045.2 Ų45.213%0.13222%0.216CC..Hα-helixtrans-56.5-47.3171.8161.8-107.2000112.2A127 T130 F131 L134 A168 F169 A170 F174 F175 L176A127-F172 HydrophobicContact CB-CD2 4.1Å; A127-F172 HydrophobicContact CB-CE2 4.08Å; A127-F172 VanDerWaalsContact O-CD2 3.28Å; A127-F172 WeakPolarHBondContact O-CD2 3.44Å; T130-F172 HydrophobicContact CG2-CB 3.71Å; F131-F172 HydrophobicContact CB-CD2 3.93Å; F131-F172 HydrophobicContact CB-CE2 3.75Å; F131-F172 HydrophobicContact CB-CZ 4.38Å; F131-F172 HydrophobicContact CD2-CE1 4.24Å; F131-F172 HydrophobicContact CD2-CE2 4.19Å; F131-F172 AromaticContact CD2-CZ 3.95Å; F131-F172 HydrophobicContact CD2-CZ 3.95Å; F131-F172 HydrophobicContact CG-CE2 4.3Å; F131-F172 HydrophobicContact CG-CZ 4.47Å; L134-F172 HydrophobicContact CD1-CB 4.15Å; A168-F172 PolarHBondContact O-N 3.35Å; F169-F172 HydrophobicContact CD2-CD1 4.25Å; F169-F172 HydrophobicContact CE2-CD1 4.11Å; F169-F172 HydrophobicContact CE2-CE1 4.42Å; F169-F172 WeakPolarHBondContact O-CB 3.34Å; F169-F172 PolarHBondContact O-N 2.75Å; A170-F172 PolarHBondContact O-N 2.89Å; F172-F174 VanDerWaalsContact C-N 3.29Å; F172-F174 PolarHBondContact O-N 3.49Å; F172-F175 PolarHBondContact O-N 3.48Å; F172-L176 HydrophobicContact CZ-CD2 4.22Å; F172-L176 WeakPolarHBondContact O-CB 3.3Å; F172-L176 PolarHBondContact O-N 3.34Å
173C96.8Very high92.6Very high53 Ų5348.9 Ų48.936%0.35823%0.233SC..Hα-helixtrans-60.5-38.7177.9-66.80000112.4F169 A170 G171 L176 A177F169-C173 PolarHBondContact O-N 3.4Å; F169-C173 PolarHBondContact O-SG 3.32Å; A170-C173 WeakPolarHBondContact O-CB 3.49Å; A170-C173 PolarHBondContact O-N 3.19Å; A170-C173 VanDerWaalsContact O-N 3.17Å; G171-C173 PolarHBondContact O-N 3.13Å; C173-L176 PolarHBondContact O-N 2.89Å; C173-A177 WeakPolarHBondContact O-CB 3.49Å; C173-A177 PolarHBondContact O-N 2.8Å
174F95.8Very high92.6Very high69 Ų6944.6 Ų44.630%0.30322%0.221SC..Hα-helixtrans-67.5-42.5176.9-69.7-54000112.5L20 I23 A24 A170 G171 F172 L176 A177 S178L20-F174 HydrophobicContact CD2-CD1 3.66Å; L20-F174 HydrophobicContact CD2-CE1 4.27Å; I23-F174 HydrophobicContact CG2-CD2 3.68Å; I23-F174 HydrophobicContact CG2-CE1 4.43Å; I23-F174 HydrophobicContact CG2-CE2 3.47Å; I23-F174 VanDerWaalsContact CG2-CE2 3.47Å; I23-F174 HydrophobicContact CG2-CG 4.27Å; I23-F174 HydrophobicContact CG2-CZ 3.88Å; A24-F174 HydrophobicContact CB-CB 3.7Å; A170-F174 HydrophobicContact CB-CE2 4.26Å; A170-F174 WeakPolarHBondContact O-CD2 3.48Å; A170-F174 WeakPolarHBondContact O-CG 3.13Å; A170-F174 PolarHBondContact O-N 3.38Å; G171-F174 PolarHBondContact O-N 2.81Å; F172-F174 VanDerWaalsContact C-N 3.29Å; F172-F174 PolarHBondContact O-N 3.49Å; F174-L176 VanDerWaalsContact C-N 3.33Å; F174-L176 PolarHBondContact O-N 2.89Å; F174-A177 PolarHBondContact O-N 2.76Å; F174-S178 WeakPolarHBondContact O-CB 3.28Å; F174-S178 PolarHBondContact O-N 3.1Å
175F94.4Very high92.3Very high0 Ų044.6 Ų44.60%022%0.221CC..Hα-helixtrans-62.7-39.8172.9-78.8-45.1000112.5D21 A24 I25 I28 A94 A126 A127 G171 F172 S178 S179D21-F175 HydrophobicContact CB-CE1 4.35Å; A24-F175 HydrophobicContact CB-CD1 3.72Å; A24-F175 HydrophobicContact CB-CD2 3.93Å; A24-F175 HydrophobicContact CB-CE1 3.7Å; A24-F175 HydrophobicContact CB-CE2 3.95Å; A24-F175 HydrophobicContact CB-CG 3.82Å; A24-F175 HydrophobicContact CB-CZ 3.82Å; I25-F175 HydrophobicContact CG1-CE1 4.3Å; I25-F175 HydrophobicContact CG1-CZ 3.86Å; I28-F175 HydrophobicContact CD1-CD2 4.02Å; I28-F175 HydrophobicContact CD1-CE2 3.45Å; I28-F175 VanDerWaalsContact CD1-CE2 3.45Å; I28-F175 HydrophobicContact CD1-CZ 4.42Å; A94-F175 HydrophobicContact CB-CE2 4.48Å; A126-F175 HydrophobicContact CB-CD1 4.11Å; A126-F175 HydrophobicContact CB-CD2 3.97Å; A126-F175 HydrophobicContact CB-CE1 4.1Å; A126-F175 HydrophobicContact CB-CE2 3.91Å; A126-F175 HydrophobicContact CB-CG 4.06Å; A126-F175 HydrophobicContact CB-CZ 4Å; A127-F175 HydrophobicContact CB-CB 3.92Å; G171-F175 PolarHBondContact O-N 2.72Å; F172-F175 PolarHBondContact O-N 3.48Å; F175-S178 PolarHBondContact O-N 3.01Å; F175-S179 PolarHBondContact O-N 3.01Å
176L94.8Very high91.8Very high66 Ų6649.1 Ų49.135%0.34624%0.237SC..Hα-helixtrans-64.2-43.2176.7-170.868.1000111.3F172 C173 F174 S178 S179 F180F172-L176 HydrophobicContact CZ-CD2 4.22Å; F172-L176 WeakPolarHBondContact O-CB 3.3Å; F172-L176 PolarHBondContact O-N 3.34Å; C173-L176 PolarHBondContact O-N 2.89Å; F174-L176 VanDerWaalsContact C-N 3.33Å; F174-L176 PolarHBondContact O-N 2.89Å; L176-S178 VanDerWaalsContact C-N 3.35Å; L176-S179 WeakPolarHBondContact O-CB 3.37Å; L176-S179 PolarHBondContact O-N 3.31Å; L176-F180 HydrophobicContact CD1-CE2 4.06Å; L176-F180 HydrophobicContact CD2-CE2 4.13Å; L176-F180 HydrophobicContact CG-CD2 4.14Å; L176-F180 HydrophobicContact CG-CE2 3.7Å; L176-F180 WeakPolarHBondContact O-CD2 3.34Å; L176-F180 PolarHBondContact O-N 3.48Å
177A94.4Very high91.3Very high37 Ų3746.4 Ų46.431%0.30623%0.233SC..Hα-helixtrans-61.9-41.9174.700000112.1L20 C173 F174 F180 L181L20-A177 HydrophobicContact CD1-CB 4.18Å; C173-A177 WeakPolarHBondContact O-CB 3.49Å; C173-A177 PolarHBondContact O-N 2.8Å; F174-A177 PolarHBondContact O-N 2.76Å; A177-F180 PolarHBondContact O-N 3.27Å; A177-L181 WeakPolarHBondContact O-CG 3.48Å; A177-L181 PolarHBondContact O-N 3.49Å
178S92.1Very high90.9Very high0 Ų043.9 Ų43.90%022%0.224CC..Hα-helixtrans-61.2-44.2174.6-171.80000111.8D21 F174 F175 L176 F180 L181 H182D21-S178 VanDerWaalsContact CG-OG 3.31Å; D21-S178 WeakPolarHBondContact OD1-CB 3.29Å; D21-S178 PolarHBondContact OD1-OG 3.21Å; D21-S178 PolarHBondContact OD2-OG 3.09Å; F174-S178 WeakPolarHBondContact O-CB 3.28Å; F174-S178 PolarHBondContact O-N 3.1Å; F175-S178 PolarHBondContact O-N 3.01Å; L176-S178 VanDerWaalsContact C-N 3.35Å; S178-F180 PolarHBondContact O-N 2.88Å; S178-L181 PolarHBondContact O-N 3.45Å; S178-L181 VanDerWaalsContact O-N 3.12Å; S178-H182 PolarHBondContact O-CD2 3.24Å; S178-H182 PolarHBondContact O-N 3.29Å
179S91Very high90Very high8 Ų844.4 Ų44.46%0.05623%0.227CC..Hα-helixtrans-57.9-45.3174.9171.10000112.4S123 T124 F175 L176 L181 H182 M183S123-S179 WeakPolarHBondContact OG-CA 3.47Å; T124-S179 PolarHBondContact OG1-OG 3.3Å; F175-S179 PolarHBondContact O-N 3.01Å; L176-S179 WeakPolarHBondContact O-CB 3.37Å; L176-S179 PolarHBondContact O-N 3.31Å; S179-L181 VanDerWaalsContact C-N 3.34Å; S179-L181 PolarHBondContact O-N 3.24Å; S179-H182 PolarHBondContact O-N 3.31Å; S179-M183 PolarHBondContact O-N 2.98Å
180F92Very high89.1Confident112 Ų11242.6 Ų42.649%0.49122%0.224SC..Hα-helixtrans-61.3-41175-77-63.1000112.4L176 A177 S178 M183 L184L176-F180 HydrophobicContact CD1-CE2 4.06Å; L176-F180 HydrophobicContact CD2-CE2 4.13Å; L176-F180 HydrophobicContact CG-CD2 4.14Å; L176-F180 HydrophobicContact CG-CE2 3.7Å; L176-F180 WeakPolarHBondContact O-CD2 3.34Å; L176-F180 PolarHBondContact O-N 3.48Å; A177-F180 PolarHBondContact O-N 3.27Å; S178-F180 PolarHBondContact O-N 2.88Å; F180-M183 PolarHBondContact O-N 2.99Å; F180-L184 VanDerWaalsContact O-CG 3.32Å; F180-L184 WeakPolarHBondContact O-CG 3.43Å; F180-L184 PolarHBondContact O-N 3.25Å
181L89.8Confident88.2Confident32 Ų3245.1 Ų45.117%0.16824%0.239CC..Hα-helixtrans-66.9-38.4176.1-72.4175.7000112.5F13 A16 C17 L20 A177 S178 S179 L184 C185F13-L181 HydrophobicContact CD1-CD2 4.07Å; F13-L181 HydrophobicContact CE1-CD2 4.35Å; A16-L181 HydrophobicContact CB-CD1 4Å; C17-L181 WeakPolarHBondContact SG-CB 3.36Å; L20-L181 HydrophobicContact CD1-CD1 3.46Å; L20-L181 VanDerWaalsContact CD1-CD1 3.46Å; A177-L181 WeakPolarHBondContact O-CG 3.48Å; A177-L181 PolarHBondContact O-N 3.49Å; S178-L181 PolarHBondContact O-N 3.45Å; S178-L181 VanDerWaalsContact O-N 3.12Å; S179-L181 VanDerWaalsContact C-N 3.34Å; S179-L181 PolarHBondContact O-N 3.24Å; L181-L184 HydrophobicContact CD2-CD1 4.33Å; L181-L184 PolarHBondContact O-N 3.12Å; L181-C185 PolarHBondContact O-N 2.95Å; L181-C185 PolarHBondContact O-SG 3.07Å
182H86.4Confident87.1Confident1 Ų147.6 Ų47.61%0.00526%0.256CS..Hα-helixtrans-61.6-43.6173.2-90.6-71.3000112C17 D101 S105 H116 T120 S178 S179 C185 W186C17-H182 WeakPolarHBondContact CB-NE2 3.33Å; C17-H182 VanDerWaalsContact SG-CD2 3.6Å; D101-H182 IonicContact OD1-NE2 3.71Å; S105-H182 PolarHBondContact OG-CE1 2.76Å; S105-H182 PolarHBondContact OG-NE2 3.36Å; S105-H182 VanDerWaalsContact OG-NE2 3.09Å; H116-H182 AromaticContact ND1-ND1 3.94Å; T120-H182 WeakPolarHBondContact OG1-CB 3.32Å; S178-H182 PolarHBondContact O-CD2 3.24Å; S178-H182 PolarHBondContact O-N 3.29Å; S179-H182 PolarHBondContact O-N 3.31Å; H182-C185 WeakPolarHBondContact O-CB 3.06Å; H182-C185 PolarHBondContact O-N 3.36Å; H182-W186 WeakPolarHBondContact O-CB 2.88Å; H182-W186 PolarHBondContact O-N 3.19Å
183M87.1Confident85.5Confident79 Ų7951 Ų5139%0.38927%0.268SS..Hα-helixtrans-61.9-44.1174.2-171.7-167.4-61.800111.4S179 F180 W186 L187S179-M183 PolarHBondContact O-N 2.98Å; F180-M183 PolarHBondContact O-N 2.99Å; M183-W186 PolarHBondContact O-N 3.5Å; M183-L187 HydrophobicContact CG-CD1 4.28Å; M183-L187 WeakPolarHBondContact O-CB 3.25Å; M183-L187 WeakPolarHBondContact O-CG 3.44Å; M183-L187 PolarHBondContact O-N 3.44Å
184L87.4Confident83.6Confident81 Ų8153.9 Ų53.942%0.42428%0.28SS..Hα-helixtrans-61.7-44175.6-74.7169.2000111.8F180 L181 W186 L187 I188F180-L184 VanDerWaalsContact O-CG 3.32Å; F180-L184 WeakPolarHBondContact O-CG 3.43Å; F180-L184 PolarHBondContact O-N 3.25Å; L181-L184 HydrophobicContact CD2-CD1 4.33Å; L181-L184 PolarHBondContact O-N 3.12Å; L184-W186 VanDerWaalsContact C-N 3.32Å; L184-W186 PolarHBondContact O-N 3.16Å; L184-L187 PolarHBondContact O-N 2.97Å; L184-I188 WeakPolarHBondContact O-CB 3.49Å; L184-I188 WeakPolarHBondContact O-CG1 3.47Å; L184-I188 PolarHBondContact O-N 2.82Å
185C83.3Confident81.5Confident0 Ų055.2 Ų55.20%030%0.296CS..Hα-helixtrans-57.9-45.9174.1-69.80000111.6F13 L181 H182 I188 S189F13-C185 WeakPolarHBondContact CB-SG 3.32Å; L181-C185 PolarHBondContact O-N 2.95Å; L181-C185 PolarHBondContact O-SG 3.07Å; H182-C185 WeakPolarHBondContact O-CB 3.06Å; H182-C185 PolarHBondContact O-N 3.36Å; C185-I188 PolarHBondContact O-N 3.36Å; C185-S189 WeakPolarHBondContact O-CB 3.49Å; C185-S189 PolarHBondContact O-N 2.62Å
186W81.1Confident79.1Confident113 Ų11360.1 Ų60.143%0.42832%0.321SS..Hα-helixtrans-63.7-43179.2-18060.7000112.1H116 H182 M183 L184 S189 S190H116-W186 HydrophobicContact CB-CB 4.21Å; H182-W186 WeakPolarHBondContact O-CB 2.88Å; H182-W186 PolarHBondContact O-N 3.19Å; M183-W186 PolarHBondContact O-N 3.5Å; L184-W186 VanDerWaalsContact C-N 3.32Å; L184-W186 PolarHBondContact O-N 3.16Å; W186-S189 PolarHBondContact O-N 2.97Å; W186-S190 VanDerWaalsContact O-CB 3.26Å; W186-S190 WeakPolarHBondContact O-CB 3.41Å; W186-S190 PolarHBondContact O-N 3.11Å; W186-S190 PolarHBondContact O-OG 3.37Å
187L83.6Confident76.8Confident80 Ų8061.2 Ų61.242%0.41933%0.328SS..Hα-helixtrans-62.5-45.2175.4-73.6171.3000111.7M183 L184 S190 C191M183-L187 HydrophobicContact CG-CD1 4.28Å; M183-L187 WeakPolarHBondContact O-CB 3.25Å; M183-L187 WeakPolarHBondContact O-CG 3.44Å; M183-L187 PolarHBondContact O-N 3.44Å; L184-L187 PolarHBondContact O-N 2.97Å; L187-S190 PolarHBondContact O-N 3.04Å; L187-C191 WeakPolarHBondContact O-CB 3.17Å; L187-C191 PolarHBondContact O-N 3.24Å; L187-C191 PolarHBondContact O-SG 2.88Å
188I82.2Confident74.4Confident50 Ų5062.6 Ų62.626%0.25634%0.339SS..Hα-helixtrans-65.3-44.3179.4-67.4168.9000110.9A6 L9 V10 F13 L184 C185 S190 C191 S192A6-I188 HydrophobicContact CB-CG2 4.47Å; L9-I188 HydrophobicContact CD2-CD1 3.46Å; L9-I188 VanDerWaalsContact CD2-CD1 3.46Å; L9-I188 HydrophobicContact CD2-CG2 4.47Å; V10-I188 HydrophobicContact CG2-CG2 4.04Å; F13-I188 HydrophobicContact CD2-CD1 4.37Å; F13-I188 HydrophobicContact CE2-CD1 3.81Å; L184-I188 WeakPolarHBondContact O-CB 3.49Å; L184-I188 WeakPolarHBondContact O-CG1 3.47Å; L184-I188 PolarHBondContact O-N 2.82Å; C185-I188 PolarHBondContact O-N 3.36Å; I188-S190 VanDerWaalsContact C-N 3.34Å; I188-S190 PolarHBondContact O-N 2.72Å; I188-C191 PolarHBondContact O-N 3.41Å; I188-S192 WeakPolarHBondContact O-CB 3.38Å; I188-S192 PolarHBondContact O-N 3.18Å
189S76.2Confident71.9Confident11 Ų1169.9 Ų69.98%0.07737%0.371CS..Hα-helixtrans-60.5-45.1175.3-1660000111.1D113 C185 W186 S192 R193D113-S189 PolarHBondContact OD1-OG 3.31Å; C185-S189 WeakPolarHBondContact O-CB 3.49Å; C185-S189 PolarHBondContact O-N 2.62Å; W186-S189 PolarHBondContact O-N 2.97Å; S189-S192 PolarHBondContact O-N 2.88Å; S189-S192 PolarHBondContact O-OG 3.35Å; S189-R193 PolarHBondContact O-N 3.4Å
190S75.6Confident69.8Low40 Ų4072.3 Ų72.328%0.2839%0.385SS..Hα-helixtrans-63.9-47.4179.3-60.10000112.2W186 L187 I188 S192 R193 N194W186-S190 VanDerWaalsContact O-CB 3.26Å; W186-S190 WeakPolarHBondContact O-CB 3.41Å; W186-S190 PolarHBondContact O-N 3.11Å; W186-S190 PolarHBondContact O-OG 3.37Å; L187-S190 PolarHBondContact O-N 3.04Å; I188-S190 VanDerWaalsContact C-N 3.34Å; I188-S190 PolarHBondContact O-N 2.72Å; S190-S192 VanDerWaalsContact C-N 3.29Å; S190-S192 PolarHBondContact O-N 2.63Å; S190-R193 PolarHBondContact O-N 3.14Å; S190-R193 VanDerWaalsContact O-N 3.09Å; S190-N194 PolarHBondContact O-N 3.04Å
191C77.2Confident67.6Low85 Ų8572.7 Ų72.757%0.57439%0.393SS*.Hα-helixtrans-61.6-36.2177.2-730000112.4L187 I188 R193 N194L187-C191 WeakPolarHBondContact O-CB 3.17Å; L187-C191 PolarHBondContact O-N 3.24Å; L187-C191 PolarHBondContact O-SG 2.88Å; I188-C191 PolarHBondContact O-N 3.41Å; C191-R193 PolarHBondContact O-N 3.07Å; C191-N194 PolarHBondContact O-N 3.09Å
192S71.1Confident65.5Low53 Ų5381 Ų8137%0.37142%0.423SS..Hα-helixtrans-66.3-20.3177.779.40000113.7I188 S189 S190I188-S192 WeakPolarHBondContact O-CB 3.38Å; I188-S192 PolarHBondContact O-N 3.18Å; S189-S192 PolarHBondContact O-N 2.88Å; S189-S192 PolarHBondContact O-OG 3.35Å; S190-S192 VanDerWaalsContact C-N 3.29Å; S190-S192 PolarHBondContact O-N 2.63Å
193R64.1Low63.6Low100 Ų10087.9 Ų87.938%0.37746%0.455SS..Hα-helixtrans-96.1-19.9-178.6-73.7-175.6178.1-176.27.5115D113 S189 S190 C191 P195 L196 N197D113-R193 IonicContact OD1-CZ 3.11Å; D113-R193 IonicContact OD1-NE 3.59Å; D113-R193 IonicContact OD1-NH1 3.36Å; D113-R193 PolarHBondContact OD1-NH1 2.66Å; D113-R193 IonicContact OD1-NH2 3.11Å; D113-R193 PolarHBondContact OD1-NH2 3.42Å; D113-R193 VanDerWaalsContact OD1-NH2 3.11Å; D113-R193 IonicContact OD2-CZ 2.89Å; D113-R193 IonicContact OD2-NH1 2.62Å; D113-R193 PolarHBondContact OD2-NH1 3.4Å; D113-R193 IonicContact OD2-NH2 2.63Å; D113-R193 PolarHBondContact OD2-NH2 2.88Å; S189-R193 PolarHBondContact O-N 3.4Å; S190-R193 PolarHBondContact O-N 3.14Å; S190-R193 VanDerWaalsContact O-N 3.09Å; C191-R193 PolarHBondContact O-N 3.07Å; R193-P195 VanDerWaalsContact C-N 3.27Å; R193-L196 WeakPolarHBondContact O-CA 3.5Å; R193-L196 PolarHBondContact O-N 3.5Å; R193-N197 PolarHBondContact O-N 3.21Å
194N56.6Low61.7Low115 Ų11592.4 Ų92.462%0.61547%0.473SS*.Hα-helixtrans-58.2-26.2-179.7-78.7-11.7000115.4S190 C191S190-N194 PolarHBondContact O-N 3.04Å; C191-N194 PolarHBondContact O-N 3.09Å
195P50.6Low59.6Low97 Ų9791.8 Ų91.863%0.6349%0.486SS*.Hα-helixtrans-81.4-9.216928.4-31000114.8R193R193-P195 VanDerWaalsContact C-N 3.27Å
196L45.7Very low57.8Low102 Ų10298.7 Ų98.753%0.53452%0.523SS..Hα-helixtrans-97.9-35.2-175.6-84.2153.1000113.6R193 A198 K199 T200R193-L196 WeakPolarHBondContact O-CA 3.5Å; R193-L196 PolarHBondContact O-N 3.5Å; L196-A198 VanDerWaalsContact C-N 3.35Å; L196-K199 PolarHBondContact O-N 3.22Å; L196-T200 PolarHBondContact O-N 3.39Å; L196-T200 PolarHBondContact O-OG1 3.18Å
197N45.8Very low56.1Low90 Ų90101.9 Ų101.948%0.48154%0.54SS..Hα-helixtrans-70.6-31.2177.1-74.2-13.4000112.7R193 K199 T200 D201R193-N197 PolarHBondContact O-N 3.21Å; N197-K199 PolarHBondContact O-N 3.32Å; N197-T200 PolarHBondContact O-N 3.38Å; N197-T200 PolarHBondContact O-OG1 3.28Å; N197-D201 PolarHBondContact O-N 3.27Å
198A42.8Very low54.2Low66 Ų66102.5 Ų102.555%0.54555%0.551SS.*Hα-helixtrans-64.5-19.5175.100000113.4L196 Y202L196-A198 VanDerWaalsContact C-N 3.35Å; A198-Y202 WeakPolarHBondContact O-CD2 3.41Å
199K41.3Very low52.4Low152 Ų152108.6 Ų108.666%0.66158%0.578SS**Hα-helixtrans-95.6-31.2179.5-147.8175.2-176.5-176.90112.7L196 N197 E203L196-K199 PolarHBondContact O-N 3.22Å; N197-K199 PolarHBondContact O-N 3.32Å; K199-E203 PolarHBondContact O-N 3.31Å
200T46.7Very low50.7Low60 Ų60116.4 Ų116.437%0.36861%0.613SS.*Hα-helixtrans-79.6-24.4177.744.10000114.2L196 N197 Y202 E203 K204L196-T200 PolarHBondContact O-N 3.39Å; L196-T200 PolarHBondContact O-OG1 3.18Å; N197-T200 PolarHBondContact O-N 3.38Å; N197-T200 PolarHBondContact O-OG1 3.28Å; T200-Y202 VanDerWaalsContact C-N 3.33Å; T200-E203 PolarHBondContact O-N 3.44Å; T200-K204 WeakPolarHBondContact O-CB 3.4Å; T200-K204 PolarHBondContact O-N 3.45Å
201D46Very low49.5Very low120 Ų120118.1 Ų118.164%0.64262%0.622SS**Hα-helixtrans-75.8-24.7172.3-70.7-21.3000111.9N197N197-D201 PolarHBondContact O-N 3.27Å
202Y44.4Very low48Very low205 Ų205122.6 Ų122.680%0.80463%0.631SS**Hα-helixtrans-77.3-30.1168.8-92-90.7000113.2A198 T200A198-Y202 WeakPolarHBondContact O-CD2 3.41Å; T200-Y202 VanDerWaalsContact C-N 3.33Å
203E46.6Very low46.9Very low147 Ų147129.5 Ų129.569%0.68765%0.651SS**Hα-helixtrans-88.2-14.5177.8-94.9-178.2158.600114.6K199 T200K199-E203 PolarHBondContact O-N 3.31Å; T200-E203 PolarHBondContact O-N 3.44Å
204K46.7Very low46.1Very low173 Ų173133.7 Ų133.775%0.75267%0.672SS**SBendtrans-95-7.4172.9-79.6-176.1175.6179.50114.3T200 D206T200-K204 WeakPolarHBondContact O-CB 3.4Å; T200-K204 PolarHBondContact O-N 3.45Å; K204-D206 VanDerWaalsContact C-N 3.27Å; K204-D206 PolarHBondContact O-N 3.01Å
205G44.7Very low45.8Very low68 Ų68134.5 Ų134.570%0.70168%0.681SS**THydrogen-bonded Turntrans-77-4174.400000115.3
206D45.9Very low45.9Very low146 Ų146144.2 Ų144.278%0.78171%0.707SS**THydrogen-bonded Turntrans-12726.8-170.1-150.916.7000114.1K204K204-D206 VanDerWaalsContact C-N 3.27Å; K204-D206 PolarHBondContact O-N 3.01Å
207K44.7Very low45.9Very low180 Ų180146.3 Ų146.378%0.78372%0.716SS**  trans-108.587.3165.4-75.7-172.8179.9179.40109.2E209K207-E209 PolarHBondContact O-N 2.89Å
208S43Very low45.9Very low92 Ų92149.3 Ų149.364%0.64373%0.728SS**  trans-34.5110161.555.30000111.1H210S208-H210 VanDerWaalsContact C-N 3.3Å; S208-H210 PolarHBondContact O-N 3.05Å
209E44.9Very low46.1Very low179 Ų179153.9 Ų153.984%0.83674%0.738SS**  trans-60.891165.4-80-173.7157.200108.9K207 V211K207-E209 PolarHBondContact O-N 2.89Å; E209-V211 HydrophobicContact CB-CG2 4.15Å; E209-V211 PolarHBondContact O-N 2.94Å
210H41.4Very low46.4Very low174 Ų174154 Ų15481%0.80674%0.743SS**  trans-73.175.5159.6-81.8-68.4000108.6S208 K212S208-H210 VanDerWaalsContact C-N 3.3Å; S208-H210 PolarHBondContact O-N 3.05Å; H210-K212 PolarHBondContact O-N 3.32Å
211V49.7Very low46.4Very low77 Ų77159.9 Ų159.947%0.46777%0.766SS.*  trans-75.5100164.5-175.10000107.3E209 Y213E209-V211 HydrophobicContact CB-CG2 4.15Å; E209-V211 PolarHBondContact O-N 2.94Å; V211-Y213 HydrophobicContact CB-CD2 4.43Å; V211-Y213 HydrophobicContact CB-CE2 3.92Å; V211-Y213 HydrophobicContact CG1-CD1 4.37Å; V211-Y213 HydrophobicContact CG1-CD2 3.81Å; V211-Y213 HydrophobicContact CG1-CE1 3.99Å; V211-Y213 HydrophobicContact CG1-CE2 3.37Å; V211-Y213 HydrophobicContact CG1-CG 4.3Å; V211-Y213 VanDerWaalsContact CG1-CZ 3.47Å; V211-Y213 PolarHBondContact O-N 3.18Å
212K45.2Very low46.4Very low178 Ų178162.5 Ų162.577%0.77477%0.774SS**  trans-73108.1162.8-80.7-177.7176.61790108H210H210-K212 PolarHBondContact O-N 3.32Å
213Y47.7Very low46.5Very low199 Ų199159.5 Ų159.578%0.7877%0.772SS**PPolyproline II helixtrans-81.9116.1162.3-67-84.1000108.4V211V211-Y213 HydrophobicContact CB-CD2 4.43Å; V211-Y213 HydrophobicContact CB-CE2 3.92Å; V211-Y213 HydrophobicContact CG1-CD1 4.37Å; V211-Y213 HydrophobicContact CG1-CD2 3.81Å; V211-Y213 HydrophobicContact CG1-CE1 3.99Å; V211-Y213 HydrophobicContact CG1-CE2 3.37Å; V211-Y213 HydrophobicContact CG1-CG 4.3Å; V211-Y213 VanDerWaalsContact CG1-CZ 3.47Å; V211-Y213 PolarHBondContact O-N 3.18Å
214F47.5Very low46.5Very low187 Ų187160.5 Ų160.582%0.8278%0.779SS**PPolyproline II helixtrans-84.6116.2159-79.7-87.4000107.2
215V51.6Low46.5Very low133 Ų133159.4 Ų159.481%0.80678%0.781SS**PPolyproline II helixtrans-93.6124.6165.1-178.50000105.7
216Y52.1Low46.7Very low300 Ų300167.7 Ų167.7100%1.17679%0.788SS**  trans-62.50170-88.8-82.8000111.2

Retrieved 216 of 216 residues in 60.9 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).