A0A5K4F4V3_SCHMA Loading...

SURF1-like protein

AlphaFold DB , UniProt , Accession A0A5K4F4V3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 420 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
1M57.6Low76.4Confident187 Ų187109.7 Ų109.792%0.92155%0.549SS*.  0121.20-95.8161.165.900108.3I6M1-I6 HydrophobicContact CB-CG1 4.28Å; M1-I6 HydrophobicContact CE-CG1 3.83Å
2N76.1Confident77.2Confident121 Ų121102.9 Ų102.965%0.64752%0.519SS*.  trans-65.1146.4178-169.4-7.9000109.9F4 S5 I6N2-F4 PolarHBondContact O-N 2.84Å; N2-S5 PolarHBondContact N-OG 3.44Å; N2-S5 WeakPolarHBondContact O-CA 3.5Å; N2-S5 WeakPolarHBondContact O-CB 3.36Å; N2-S5 PolarHBondContact O-N 3.01Å; N2-S5 PolarHBondContact O-OG 3.01Å; N2-I6 PolarHBondContact O-N 3.42Å
3Q79.2Confident78.1Confident166 Ų166100.9 Ų100.978%0.77651%0.507SS*.Hα-helixtrans-50.8-36.6179.5-72.8-176.5-13.700111.9S5 I6 F7Q3-S5 PolarHBondContact O-N 3.24Å; Q3-I6 PolarHBondContact O-N 2.9Å; Q3-F7 PolarHBondContact O-N 2.88Å
4F77.7Confident78.9Confident136 Ų136104.6 Ų104.660%0.59652%0.518SS*.Hα-helixtrans-58-43.5173.8-172.2-107.5000113.3N2 I6 F7 L8N2-F4 PolarHBondContact O-N 2.84Å; F4-I6 VanDerWaalsContact C-N 3.34Å; F4-I6 PolarHBondContact O-N 2.93Å; F4-F7 PolarHBondContact O-N 2.99Å; F4-L8 HydrophobicContact CD1-CD1 3.84Å; F4-L8 HydrophobicContact CD1-CG 4.34Å; F4-L8 HydrophobicContact CE1-CD1 3.37Å; F4-L8 HydrophobicContact CE1-CG 4.03Å; F4-L8 HydrophobicContact CZ-CD1 3.87Å; F4-L8 HydrophobicContact CZ-CD2 4.31Å; F4-L8 HydrophobicContact CZ-CG 4.14Å; F4-L8 WeakPolarHBondContact O-CG 3.45Å; F4-L8 PolarHBondContact O-N 3.48Å
5S72.5Confident79.7Confident42 Ų42101.9 Ų101.929%0.29451%0.506SS..Hα-helixtrans-66.1-35.3178.166.30000112.7N2 Q3 A9N2-S5 PolarHBondContact N-OG 3.44Å; N2-S5 WeakPolarHBondContact O-CA 3.5Å; N2-S5 WeakPolarHBondContact O-CB 3.36Å; N2-S5 PolarHBondContact O-N 3.01Å; N2-S5 PolarHBondContact O-OG 3.01Å; Q3-S5 PolarHBondContact O-N 3.24Å; S5-A9 WeakPolarHBondContact O-CB 3.41Å; S5-A9 PolarHBondContact O-N 2.95Å
6I73.7Confident80.2Confident87 Ų8796.9 Ų96.945%0.44649%0.486SS..Hα-helixtrans-68.5-43.7175.5-63.8168000110M1 N2 Q3 F4 A9 K10M1-I6 HydrophobicContact CB-CG1 4.28Å; M1-I6 HydrophobicContact CE-CG1 3.83Å; N2-I6 PolarHBondContact O-N 3.42Å; Q3-I6 PolarHBondContact O-N 2.9Å; F4-I6 VanDerWaalsContact C-N 3.34Å; F4-I6 PolarHBondContact O-N 2.93Å; I6-A9 PolarHBondContact O-N 3.49Å; I6-K10 WeakPolarHBondContact O-CB 3.37Å; I6-K10 PolarHBondContact O-N 3.3Å
7F81.6Confident80.9Confident110 Ų11096.8 Ų96.848%0.48249%0.486SS..Hα-helixtrans-59.1-49.7176.5176.9-94000111.7Q3 F4 A9 K10 H11Q3-F7 PolarHBondContact O-N 2.88Å; F4-F7 PolarHBondContact O-N 2.99Å; F7-A9 PolarHBondContact O-N 3.39Å; F7-K10 PolarHBondContact O-N 3.3Å; F7-H11 AromaticContact CD2-CE1 3.71Å; F7-H11 AromaticContact CD2-ND1 3.57Å; F7-H11 AromaticContact CE2-CE1 3.5Å; F7-H11 VanDerWaalsContact CE2-CE1 3.5Å; F7-H11 WeakPolarHBondContact CE2-CE1 3.44Å; F7-H11 AromaticContact CE2-ND1 3.5Å; F7-H11 AromaticContact CZ-ND1 3.95Å; F7-H11 PolarHBondContact O-N 3.3Å; F7-H11 PolarHBondContact O-ND1 3.25Å
8L79.5Confident81.6Confident71 Ų7197.3 Ų97.337%0.37249%0.49SS..Hα-helixtrans-59.6-45177.3-74.7-178.4000111.8F4 K10 H11 S12 L15F4-L8 HydrophobicContact CD1-CD1 3.84Å; F4-L8 HydrophobicContact CD1-CG 4.34Å; F4-L8 HydrophobicContact CE1-CD1 3.37Å; F4-L8 HydrophobicContact CE1-CG 4.03Å; F4-L8 HydrophobicContact CZ-CD1 3.87Å; F4-L8 HydrophobicContact CZ-CD2 4.31Å; F4-L8 HydrophobicContact CZ-CG 4.14Å; F4-L8 WeakPolarHBondContact O-CG 3.45Å; F4-L8 PolarHBondContact O-N 3.48Å; L8-K10 PolarHBondContact O-N 2.96Å; L8-H11 PolarHBondContact O-N 3.45Å; L8-S12 VanDerWaalsContact O-CA 3.27Å; L8-S12 WeakPolarHBondContact O-CA 3.48Å; L8-S12 VanDerWaalsContact O-CB 3.25Å; L8-S12 WeakPolarHBondContact O-CB 3.44Å; L8-S12 PolarHBondContact O-N 3.07Å; L8-L15 HydrophobicContact CD2-CD1 3.69Å
9A74.7Confident82.2Confident61 Ų6196.6 Ų96.650%0.50450%0.495SS..Hα-helixtrans-61.4-45.8177.900000111.7S5 I6 F7 H11 S12S5-A9 WeakPolarHBondContact O-CB 3.41Å; S5-A9 PolarHBondContact O-N 2.95Å; I6-A9 PolarHBondContact O-N 3.49Å; F7-A9 PolarHBondContact O-N 3.39Å; A9-H11 VanDerWaalsContact C-N 3.33Å; A9-H11 PolarHBondContact O-N 3.37Å; A9-S12 WeakPolarHBondContact O-CB 3.5Å; A9-S12 PolarHBondContact O-N 3.01Å; A9-S12 PolarHBondContact O-OG 2.94Å
10K80.9Confident82.6Confident174 Ų17492.6 Ų92.676%0.75748%0.476SS*.Hα-helixtrans-65.7-32.5-179.4-170.7175.9-178.9-179.80113I6 F7 L8I6-K10 WeakPolarHBondContact O-CB 3.37Å; I6-K10 PolarHBondContact O-N 3.3Å; F7-K10 PolarHBondContact O-N 3.3Å; L8-K10 PolarHBondContact O-N 2.96Å
11H86.9Confident83.1Confident52 Ų5290.6 Ų90.624%0.24147%0.473CS..Hα-helixtrans-104.66.5-177.9-64.283000113.8F7 L8 A9 Q13 K14 L15F7-H11 AromaticContact CD2-CE1 3.71Å; F7-H11 AromaticContact CD2-ND1 3.57Å; F7-H11 AromaticContact CE2-CE1 3.5Å; F7-H11 VanDerWaalsContact CE2-CE1 3.5Å; F7-H11 WeakPolarHBondContact CE2-CE1 3.44Å; F7-H11 AromaticContact CE2-ND1 3.5Å; F7-H11 AromaticContact CZ-ND1 3.95Å; F7-H11 PolarHBondContact O-N 3.3Å; F7-H11 PolarHBondContact O-ND1 3.25Å; L8-H11 PolarHBondContact O-N 3.45Å; A9-H11 VanDerWaalsContact C-N 3.33Å; A9-H11 PolarHBondContact O-N 3.37Å; H11-Q13 VanDerWaalsContact C-N 3.34Å; H11-Q13 PolarHBondContact O-N 2.83Å; H11-K14 PolarHBondContact O-N 2.95Å; H11-L15 HydrophobicContact CB-CD1 4.22Å; H11-L15 HydrophobicContact CB-CG 4.39Å; H11-L15 WeakPolarHBondContact O-CG 3.44Å; H11-L15 PolarHBondContact O-N 3.08Å
12S86.6Confident84.9Confident28 Ų2885.5 Ų85.520%0.19645%0.453CS..Hα-helixtrans-54.7-43.8-171.457.30000113.6L8 A9 L15 A16 Y195L8-S12 VanDerWaalsContact O-CA 3.27Å; L8-S12 WeakPolarHBondContact O-CA 3.48Å; L8-S12 VanDerWaalsContact O-CB 3.25Å; L8-S12 WeakPolarHBondContact O-CB 3.44Å; L8-S12 PolarHBondContact O-N 3.07Å; A9-S12 WeakPolarHBondContact O-CB 3.5Å; A9-S12 PolarHBondContact O-N 3.01Å; A9-S12 PolarHBondContact O-OG 2.94Å; S12-L15 PolarHBondContact O-N 3.44Å; S12-A16 WeakPolarHBondContact O-CB 3.44Å; S12-A16 PolarHBondContact O-N 2.61Å; S12-Y195 VanDerWaalsContact CB-OH 3.24Å; S12-Y195 WeakPolarHBondContact CB-OH 3.16Å; S12-Y195 PolarHBondContact OG-OH 3.13Å
13Q88Confident85.6Confident77 Ų7781.4 Ų81.436%0.3644%0.436SS..Hα-helixtrans-65.5-38.7176.5-66.5-174.5-60.700113.4H11 L17 F199H11-Q13 VanDerWaalsContact C-N 3.34Å; H11-Q13 PolarHBondContact O-N 2.83Å; Q13-L17 WeakPolarHBondContact O-CB 3.47Å; Q13-L17 PolarHBondContact O-N 2.91Å; Q13-F199 HydrophobicContact CG-CD1 4.31Å; Q13-F199 HydrophobicContact CG-CD2 4.07Å; Q13-F199 HydrophobicContact CG-CE1 4.19Å; Q13-F199 HydrophobicContact CG-CE2 3.94Å; Q13-F199 HydrophobicContact CG-CG 4.25Å; Q13-F199 HydrophobicContact CG-CZ 4Å
14K90Very high86.2Confident153 Ų15375.2 Ų75.267%0.66541%0.411SS*.Hα-helixtrans-68.7-42.4177.6-67.3-176.2179.5-1780110.8H11 L17 L18H11-K14 PolarHBondContact O-N 2.95Å; K14-L17 PolarHBondContact O-N 3.38Å; K14-L18 WeakPolarHBondContact O-CB 3.49Å; K14-L18 PolarHBondContact O-N 3.36Å
15L89.9Confident86.9Confident63 Ų6371.8 Ų71.833%0.3340%0.404SS..Hα-helixtrans-63.1-44.6175.1-72.2167.2000111.1L8 H11 S12 L17 L18 C19L8-L15 HydrophobicContact CD2-CD1 3.69Å; H11-L15 HydrophobicContact CB-CD1 4.22Å; H11-L15 HydrophobicContact CB-CG 4.39Å; H11-L15 WeakPolarHBondContact O-CG 3.44Å; H11-L15 PolarHBondContact O-N 3.08Å; S12-L15 PolarHBondContact O-N 3.44Å; L15-L17 VanDerWaalsContact C-N 3.33Å; L15-L17 PolarHBondContact O-N 2.91Å; L15-L18 PolarHBondContact O-N 3.07Å; L15-C19 WeakPolarHBondContact O-CB 3.32Å; L15-C19 PolarHBondContact O-N 3.31Å; L15-C19 PolarHBondContact O-SG 3.18Å
16A89.1Confident87.8Confident23 Ų2374.9 Ų74.919%0.1942%0.416CS..Hα-helixtrans-60.7-42.517700000112S12 C19 A20 Y192 Y195S12-A16 WeakPolarHBondContact O-CB 3.44Å; S12-A16 PolarHBondContact O-N 2.61Å; A16-C19 PolarHBondContact O-N 3.25Å; A16-A20 WeakPolarHBondContact O-CB 3.28Å; A16-A20 PolarHBondContact O-N 3.32Å; A16-Y192 HydrophobicContact CB-CD2 4.28Å; A16-Y192 HydrophobicContact CB-CE2 4.05Å; A16-Y195 HydrophobicContact CB-CD1 3.88Å; A16-Y195 HydrophobicContact CB-CE1 3.64Å
17L91.8Very high88.5Confident94 Ų9471.7 Ų71.749%0.49240%0.402SS..Hα-helixtrans-64.2-45.6175.9179.562000111.5Q13 K14 L15 C19 A20 A21 Y192Q13-L17 WeakPolarHBondContact O-CB 3.47Å; Q13-L17 PolarHBondContact O-N 2.91Å; K14-L17 PolarHBondContact O-N 3.38Å; L15-L17 VanDerWaalsContact C-N 3.33Å; L15-L17 PolarHBondContact O-N 2.91Å; L17-C19 PolarHBondContact O-N 3.17Å; L17-A20 PolarHBondContact O-N 2.92Å; L17-A21 WeakPolarHBondContact O-CB 3.45Å; L17-A21 PolarHBondContact O-N 3.43Å; L17-Y192 HydrophobicContact CB-CE2 4.11Å; L17-Y192 HydrophobicContact CD1-CE1 4.45Å; L17-Y192 HydrophobicContact CD1-CE2 4.44Å
18L93.9Very high88.8Confident107 Ų10773.5 Ų73.556%0.5641%0.406SS*.Hα-helixtrans-59.5-47176.7-179.364.5000110.9K14 L15 A20 A21 T22K14-L18 WeakPolarHBondContact O-CB 3.49Å; K14-L18 PolarHBondContact O-N 3.36Å; L15-L18 PolarHBondContact O-N 3.07Å; L18-A20 PolarHBondContact O-N 3.38Å; L18-A21 PolarHBondContact O-N 3.45Å; L18-T22 WeakPolarHBondContact O-CB 3.43Å; L18-T22 PolarHBondContact O-N 2.93Å; L18-T22 PolarHBondContact O-OG1 3.48Å
19C91.9Very high89.3Confident84 Ų8478.1 Ų78.157%0.56842%0.42SS*.Hα-helixtrans-60.3-43.5176.7-70.30000112L15 A16 L17 T22 A23L15-C19 WeakPolarHBondContact O-CB 3.32Å; L15-C19 PolarHBondContact O-N 3.31Å; L15-C19 PolarHBondContact O-SG 3.18Å; A16-C19 PolarHBondContact O-N 3.25Å; L17-C19 PolarHBondContact O-N 3.17Å; C19-T22 PolarHBondContact O-N 3.31Å; C19-A23 VanDerWaalsContact O-CB 3.26Å; C19-A23 WeakPolarHBondContact O-CB 3.42Å; C19-A23 PolarHBondContact O-N 2.83Å
20A91.3Very high90Very high16 Ų1678.6 Ų78.613%0.13242%0.417CS..Hα-helixtrans-63.6-45.2177.300000111.8A16 L17 L18 A23 C24 I188 Y192A16-A20 WeakPolarHBondContact O-CB 3.28Å; A16-A20 PolarHBondContact O-N 3.32Å; L17-A20 PolarHBondContact O-N 2.92Å; L18-A20 PolarHBondContact O-N 3.38Å; A20-A23 PolarHBondContact O-N 2.95Å; A20-C24 WeakPolarHBondContact O-CB 3.24Å; A20-C24 PolarHBondContact O-N 3.4Å; A20-C24 PolarHBondContact O-SG 3.47Å; A20-C24 VanDerWaalsContact O-SG 3.34Å; A20-I188 HydrophobicContact CB-CG2 4.01Å; A20-Y192 HydrophobicContact CB-CD2 4.13Å; A20-Y192 HydrophobicContact CB-CG 4.31Å
21A93.4Very high90.3Very high50 Ų5070.9 Ų70.941%0.41338%0.383SS..Hα-helixtrans-63.5-43.4177.700000112L17 L18 C24 S25L17-A21 WeakPolarHBondContact O-CB 3.45Å; L17-A21 PolarHBondContact O-N 3.43Å; L18-A21 PolarHBondContact O-N 3.45Å; A21-C24 PolarHBondContact O-N 3.41Å; A21-S25 WeakPolarHBondContact O-CB 3.49Å; A21-S25 PolarHBondContact O-N 3.26Å; A21-S25 PolarHBondContact O-OG 3.32Å
22T93.8Very high90.4Very high80 Ų8070.1 Ų70.149%0.49138%0.383SS..Hα-helixtrans-63.7-42.7175.8-59.40000111.3L18 C19 S25 L26L18-T22 WeakPolarHBondContact O-CB 3.43Å; L18-T22 PolarHBondContact O-N 2.93Å; L18-T22 PolarHBondContact O-OG1 3.48Å; C19-T22 PolarHBondContact O-N 3.31Å; T22-S25 PolarHBondContact O-N 2.87Å; T22-L26 WeakPolarHBondContact O-CB 3.25Å; T22-L26 PolarHBondContact O-N 2.78Å
23A91.2Very high90.5Very high35 Ų3576.9 Ų76.929%0.28941%0.405SS..Hα-helixtrans-65-42.617800000112.2C19 A20 S25 L26 S27 I188C19-A23 VanDerWaalsContact O-CB 3.26Å; C19-A23 WeakPolarHBondContact O-CB 3.42Å; C19-A23 PolarHBondContact O-N 2.83Å; A20-A23 PolarHBondContact O-N 2.95Å; A23-S25 VanDerWaalsContact C-N 3.32Å; A23-S25 PolarHBondContact O-N 3.44Å; A23-L26 PolarHBondContact O-N 2.87Å; A23-S27 WeakPolarHBondContact O-CB 3.33Å; A23-S27 PolarHBondContact O-N 3.43Å; A23-I188 HydrophobicContact CB-CD1 3.73Å; A23-I188 HydrophobicContact CB-CG1 4.38Å; A23-I188 HydrophobicContact CB-CG2 4.29Å
24C91.4Very high90.3Very high36 Ų3677 Ų7724%0.24340%0.403CS..Hα-helixtrans-65.3-34.4174.1-71.10000112.7A20 A21 S27 Y28A20-C24 WeakPolarHBondContact O-CB 3.24Å; A20-C24 PolarHBondContact O-N 3.4Å; A20-C24 PolarHBondContact O-SG 3.47Å; A20-C24 VanDerWaalsContact O-SG 3.34Å; A21-C24 PolarHBondContact O-N 3.41Å; C24-S27 PolarHBondContact O-OG 3.04Å; C24-Y28 PolarHBondContact O-N 2.96Å
25S92.8Very high90.2Very high65 Ų6569.8 Ų69.846%0.45537%0.372SS..Hα-helixtrans-70.1-45175.4-57.60000110.8A21 T22 A23 S27 Y28 Y29A21-S25 WeakPolarHBondContact O-CB 3.49Å; A21-S25 PolarHBondContact O-N 3.26Å; A21-S25 PolarHBondContact O-OG 3.32Å; T22-S25 PolarHBondContact O-N 2.87Å; A23-S25 VanDerWaalsContact C-N 3.32Å; A23-S25 PolarHBondContact O-N 3.44Å; S25-S27 PolarHBondContact O-N 3.49Å; S25-Y28 WeakPolarHBondContact O-CB 3.27Å; S25-Y28 PolarHBondContact O-N 2.93Å; S25-Y29 WeakPolarHBondContact O-CD2 3.4Å; S25-Y29 PolarHBondContact O-N 2.9Å
26L91.8Very high90.1Very high106 Ų10668.6 Ų68.656%0.55537%0.367SS*.Hα-helixtrans-64-39.9178.7-173.865.8000111.8T22 A23 Y28 Y29 V30T22-L26 WeakPolarHBondContact O-CB 3.25Å; T22-L26 PolarHBondContact O-N 2.78Å; A23-L26 PolarHBondContact O-N 2.87Å; L26-Y28 VanDerWaalsContact C-N 3.27Å; L26-Y28 PolarHBondContact O-N 3.33Å; L26-Y29 PolarHBondContact O-N 3.49Å; L26-V30 HydrophobicContact CD1-CG2 3.88Å; L26-V30 HydrophobicContact CG-CG2 4.06Å; L26-V30 WeakPolarHBondContact O-CB 3.42Å; L26-V30 WeakPolarHBondContact O-CG2 3.43Å; L26-V30 PolarHBondContact O-N 2.85Å
27S87.9Confident89.9Confident21 Ų2173.4 Ų73.415%0.14739%0.389CS..Hα-helixtrans-58.3-42.2175.970.90000111A23 C24 S25 V30 Q31 N185A23-S27 WeakPolarHBondContact O-CB 3.33Å; A23-S27 PolarHBondContact O-N 3.43Å; C24-S27 PolarHBondContact O-OG 3.04Å; S25-S27 PolarHBondContact O-N 3.49Å; S27-V30 PolarHBondContact O-N 2.88Å; S27-Q31 VanDerWaalsContact O-CB 3.22Å; S27-Q31 WeakPolarHBondContact O-CB 3.3Å; S27-Q31 PolarHBondContact O-N 3.45Å; S27-N185 PolarHBondContact OG-OD1 2.95Å
28Y88.6Confident89.6Confident147 Ų14769.9 Ų69.958%0.57637%0.372SS*.Hα-helixtrans-60.4-46.4176.3-172.5-92.6000112.8C24 S25 L26 L181C24-Y28 PolarHBondContact O-N 2.96Å; S25-Y28 WeakPolarHBondContact O-CB 3.27Å; S25-Y28 PolarHBondContact O-N 2.93Å; L26-Y28 VanDerWaalsContact C-N 3.27Å; L26-Y28 PolarHBondContact O-N 3.33Å; Y28-L181 HydrophobicContact CD2-CD1 3.84Å; Y28-L181 HydrophobicContact CE2-CD1 4.22Å
29Y89.3Confident89.2Confident169 Ų16965.9 Ų65.966%0.66335%0.349SS*.Hα-helixtrans-70.8-36.4-179.6-76-69.6000113.6S25 L26S25-Y29 WeakPolarHBondContact O-CD2 3.4Å; S25-Y29 PolarHBondContact O-N 2.9Å; L26-Y29 PolarHBondContact O-N 3.49Å
30V89.1Confident88.9Confident70 Ų7069.8 Ų69.842%0.42435%0.352SS..Hα-helixtrans-80.2-24.2-1781750000111.9L26 S27 Y33 Y34L26-V30 HydrophobicContact CD1-CG2 3.88Å; L26-V30 HydrophobicContact CG-CG2 4.06Å; L26-V30 WeakPolarHBondContact O-CB 3.42Å; L26-V30 WeakPolarHBondContact O-CG2 3.43Å; L26-V30 PolarHBondContact O-N 2.85Å; S27-V30 PolarHBondContact O-N 2.88Å; V30-Y33 WeakPolarHBondContact O-CB 3.39Å; V30-Y33 PolarHBondContact O-N 2.94Å; V30-Y34 PolarHBondContact O-N 3.25Å
31Q88.8Confident88.5Confident12 Ų1273.4 Ų73.46%0.05638%0.377CS..Hα-helixtrans-51.4-47.7-172.6-178.967.828.900114.9S27 Y33 Y34 E35 R177 S180 L181S27-Q31 VanDerWaalsContact O-CB 3.22Å; S27-Q31 WeakPolarHBondContact O-CB 3.3Å; S27-Q31 PolarHBondContact O-N 3.45Å; Q31-Y33 VanDerWaalsContact C-N 3.31Å; Q31-Y33 PolarHBondContact O-N 3.27Å; Q31-Y34 WeakPolarHBondContact O-CB 3.45Å; Q31-Y34 PolarHBondContact O-N 3.18Å; Q31-E35 WeakPolarHBondContact CG-OE1 3.45Å; Q31-E35 PolarHBondContact NE2-OE1 3.29Å; Q31-E35 WeakPolarHBondContact O-CG 3.4Å; Q31-E35 PolarHBondContact O-N 3.32Å; Q31-R177 HydrophobicContact CG-CG 3.82Å; Q31-S180 PolarHBondContact NE2-OG 3.2Å; Q31-L181 HydrophobicContact CB-CD2 3.75Å; Q31-L181 HydrophobicContact CB-CG 4.31Å; Q31-L181 HydrophobicContact CG-CD1 4.33Å; Q31-L181 HydrophobicContact CG-CD2 3.84Å; Q31-L181 HydrophobicContact CG-CG 3.88Å
32P87.6Confident88Confident36 Ų3672 Ų7223%0.23436%0.363CS..Hα-helixtrans-63.6-35.6179.3-22.335.1000113.1E35 V36P32-E35 PolarHBondContact O-N 3.46Å; P32-V36 WeakPolarHBondContact O-CG2 3.49Å; P32-V36 PolarHBondContact O-N 3.45Å
33Y88.4Confident87.6Confident171 Ų17168.6 Ų68.667%0.67134%0.342SS*.Hα-helixtrans-70.1-40.7176.4-61.2-80.7000111.3V30 Q31 E35 V36 L37V30-Y33 WeakPolarHBondContact O-CB 3.39Å; V30-Y33 PolarHBondContact O-N 2.94Å; Q31-Y33 VanDerWaalsContact C-N 3.31Å; Q31-Y33 PolarHBondContact O-N 3.27Å; Y33-E35 VanDerWaalsContact C-N 3.29Å; Y33-E35 PolarHBondContact O-N 3.3Å; Y33-V36 PolarHBondContact O-N 3.47Å; Y33-L37 WeakPolarHBondContact O-CG 3.28Å; Y33-L37 PolarHBondContact O-N 3.28Å
34Y84.9Confident87.2Confident78 Ų7869.8 Ų69.831%0.30634%0.341SS..Hα-helixtrans-59-41.8174.1179.2-100.5000111.6V30 Q31 L37 C38 L376V30-Y34 PolarHBondContact O-N 3.25Å; Q31-Y34 WeakPolarHBondContact O-CB 3.45Å; Q31-Y34 PolarHBondContact O-N 3.18Å; Y34-L37 PolarHBondContact O-N 2.83Å; Y34-C38 WeakPolarHBondContact CE1-SG 3.45Å; Y34-C38 WeakPolarHBondContact O-CB 3.28Å; Y34-C38 PolarHBondContact O-N 2.84Å; Y34-C38 PolarHBondContact O-SG 2.86Å; Y34-C38 PolarHBondContact OH-SG 2.89Å; Y34-L376 HydrophobicContact CD1-CD1 3.88Å; Y34-L376 HydrophobicContact CE1-CD1 3.17Å; Y34-L376 HydrophobicContact CE1-CG 3.72Å; Y34-L376 HydrophobicContact CE2-CD1 4.01Å; Y34-L376 WeakPolarHBondContact OH-CD1 3.38Å; Y34-L376 WeakPolarHBondContact OH-CD2 3.18Å; Y34-L376 WeakPolarHBondContact OH-CG 3.16Å
35E86.6Confident86.7Confident3 Ų372.7 Ų72.71%0.01435%0.35CS..Hα-helixtrans-62.3-42.9177.2-72164.9-176.200112.7Q31 P32 Y33 C38 R39 L91 G92 R177Q31-E35 WeakPolarHBondContact CG-OE1 3.45Å; Q31-E35 PolarHBondContact NE2-OE1 3.29Å; Q31-E35 WeakPolarHBondContact O-CG 3.4Å; Q31-E35 PolarHBondContact O-N 3.32Å; P32-E35 PolarHBondContact O-N 3.46Å; Y33-E35 VanDerWaalsContact C-N 3.29Å; Y33-E35 PolarHBondContact O-N 3.3Å; E35-C38 WeakPolarHBondContact O-CB 3.4Å; E35-C38 PolarHBondContact O-N 3.04Å; E35-R39 PolarHBondContact O-N 3.27Å; E35-L91 HydrophobicContact CB-CB 4.39Å; E35-L91 HydrophobicContact CG-CB 4.41Å; E35-G92 WeakPolarHBondContact OE2-CA 3.43Å; E35-R177 WeakPolarHBondContact OE1-CB 3.36Å; E35-R177 WeakPolarHBondContact OE1-CG 3.32Å; E35-R177 IonicContact OE1-NE 3.08Å; E35-R177 PolarHBondContact OE1-NE 3.41Å; E35-R177 VanDerWaalsContact OE1-NE 3.08Å; E35-R177 IonicContact OE2-CZ 3.18Å; E35-R177 IonicContact OE2-NE 2.87Å; E35-R177 PolarHBondContact OE2-NE 3.26Å; E35-R177 IonicContact OE2-NH2 2.82Å; E35-R177 PolarHBondContact OE2-NH2 2.94Å
36V87.8Confident86Confident38 Ų3874.9 Ų74.923%0.2336%0.357CS..Hα-helixtrans-64-43.4175.9174.80000111.1P32 Y33 C38 R39 W40 Y99 F101P32-V36 WeakPolarHBondContact O-CG2 3.49Å; P32-V36 PolarHBondContact O-N 3.45Å; Y33-V36 PolarHBondContact O-N 3.47Å; V36-C38 VanDerWaalsContact C-N 3.34Å; V36-C38 PolarHBondContact O-N 3.25Å; V36-R39 WeakPolarHBondContact O-CB 3.49Å; V36-R39 PolarHBondContact O-N 3.38Å; V36-W40 VanDerWaalsContact O-CD1 3.25Å; V36-W40 PolarHBondContact O-N 3.24Å; V36-Y99 HydrophobicContact CG2-CD2 3.58Å; V36-Y99 HydrophobicContact CG2-CE2 3.55Å; V36-Y99 HydrophobicContact CG2-CG 4.35Å; V36-F101 HydrophobicContact CG2-CE2 4.17Å; V36-F101 HydrophobicContact CG2-CZ 4.32Å
37L86.9Confident85.1Confident124 Ų12477.3 Ų77.365%0.64937%0.369SS*.Hα-helixtrans-62.7-41.4175.8-70.2173000111.7Y33 Y34 W40 S41Y33-L37 WeakPolarHBondContact O-CG 3.28Å; Y33-L37 PolarHBondContact O-N 3.28Å; Y34-L37 PolarHBondContact O-N 2.83Å; L37-W40 PolarHBondContact O-N 2.92Å; L37-S41 WeakPolarHBondContact O-CB 3.5Å; L37-S41 PolarHBondContact O-N 3.37Å; L37-S41 PolarHBondContact O-OG 2.98Å
38C83.6Confident84.5Confident20 Ų2083.8 Ų83.814%0.13540%0.397CS..Hα-helixtrans-59.5-49.7174.2-83.20000111.8Y34 E35 V36 W40 S41 V42 L91Y34-C38 WeakPolarHBondContact CE1-SG 3.45Å; Y34-C38 WeakPolarHBondContact O-CB 3.28Å; Y34-C38 PolarHBondContact O-N 2.84Å; Y34-C38 PolarHBondContact O-SG 2.86Å; Y34-C38 PolarHBondContact OH-SG 2.89Å; E35-C38 WeakPolarHBondContact O-CB 3.4Å; E35-C38 PolarHBondContact O-N 3.04Å; V36-C38 VanDerWaalsContact C-N 3.34Å; V36-C38 PolarHBondContact O-N 3.25Å; C38-W40 VanDerWaalsContact C-N 3.34Å; C38-W40 PolarHBondContact O-N 3.48Å; C38-S41 PolarHBondContact O-N 2.87Å; C38-S41 PolarHBondContact O-OG 3.47Å; C38-V42 VanDerWaalsContact O-CG2 3.3Å; C38-V42 WeakPolarHBondContact O-CG2 3.49Å; C38-V42 PolarHBondContact O-N 3.22Å; C38-L91 HydrophobicContact CB-CD1 3.87Å
39R87.2Confident84.1Confident22 Ų2286.4 Ų86.48%0.08341%0.406CS..Hα-helixtrans-51.3-55.2174.3177.4-163-179.2-77.96.6110.1E35 V36 S41 V42 T43 E50 D79 F81 L91 F101E35-R39 PolarHBondContact O-N 3.27Å; V36-R39 WeakPolarHBondContact O-CB 3.49Å; V36-R39 PolarHBondContact O-N 3.38Å; R39-S41 VanDerWaalsContact C-N 3.29Å; R39-S41 PolarHBondContact O-N 3.32Å; R39-V42 CarbonylContact O-C 3.56Å; R39-V42 PolarHBondContact O-N 2.93Å; R39-V42 VanDerWaalsContact O-N 3.12Å; R39-T43 PolarHBondContact O-N 2.94Å; R39-T43 PolarHBondContact O-OG1 3.46Å; R39-E50 IonicContact CZ-OE1 2.77Å; R39-E50 IonicContact CZ-OE2 3.34Å; R39-E50 IonicContact NH1-OE1 3.74Å; R39-E50 PolarHBondContact NH1-OE1 3.4Å; R39-E50 IonicContact NH1-OE2 3.59Å; R39-E50 PolarHBondContact NH1-OE2 2.94Å; R39-E50 VanDerWaalsContact NH2-CD 3.28Å; R39-E50 IonicContact NH2-OE1 3Å; R39-E50 PolarHBondContact NH2-OE1 2.83Å; R39-E50 IonicContact NH2-OE2 3.99Å; R39-E50 PolarHBondContact NH2-OE2 2.92Å; R39-D79 IonicContact CZ-OD2 2.77Å; R39-D79 VanDerWaalsContact CZ-OD2 3.25Å; R39-D79 IonicContact NE-OD2 3.37Å; R39-D79 PolarHBondContact NE-OD2 3.18Å; R39-D79 IonicContact NH2-OD1 3.58Å; R39-D79 IonicContact NH2-OD2 3.45Å; R39-D79 PolarHBondContact NH2-OD2 3.38Å; R39-F81 HydrophobicContact CG-CD1 4Å; R39-F81 HydrophobicContact CG-CD2 4.33Å; R39-F81 HydrophobicContact CG-CE1 3.99Å; R39-F81 HydrophobicContact CG-CE2 4.31Å; R39-F81 HydrophobicContact CG-CG 4.18Å; R39-F81 HydrophobicContact CG-CZ 4.14Å; R39-L91 HydrophobicContact CB-CD1 4.26Å; R39-F101 HydrophobicContact CB-CD2 4.28Å; R39-F101 HydrophobicContact CB-CE2 4.41Å; R39-F101 VanDerWaalsContact CD-CE1 3.48Å; R39-F101 HydrophobicContact CG-CG 4.45Å
40W85.5Confident84Confident166 Ų16681.1 Ų81.163%0.62939%0.387SS*.Hα-helixtrans-59.3-38.8-178.2-82.147.4000112.8V36 L37 C38 V42V36-W40 VanDerWaalsContact O-CD1 3.25Å; V36-W40 PolarHBondContact O-N 3.24Å; L37-W40 PolarHBondContact O-N 2.92Å; C38-W40 VanDerWaalsContact C-N 3.34Å; C38-W40 PolarHBondContact O-N 3.48Å; W40-V42 PolarHBondContact O-N 2.83Å
41S82.5Confident83.8Confident92 Ų9278.7 Ų78.764%0.64337%0.374SS*.Hα-helixtrans-68.9-19.1-180720000114.6L37 C38 R39L37-S41 WeakPolarHBondContact O-CB 3.5Å; L37-S41 PolarHBondContact O-N 3.37Å; L37-S41 PolarHBondContact O-OG 2.98Å; C38-S41 PolarHBondContact O-N 2.87Å; C38-S41 PolarHBondContact O-OG 3.47Å; R39-S41 VanDerWaalsContact C-N 3.29Å; R39-S41 PolarHBondContact O-N 3.32Å
42V82.7Confident83.9Confident20 Ų2086.9 Ų86.912%0.12141%0.41CS..THydrogen-bonded Turntrans-12211.1-177.4-53.90000112.8C38 R39 W40 F81 T83 P84 I85 L89C38-V42 VanDerWaalsContact O-CG2 3.3Å; C38-V42 WeakPolarHBondContact O-CG2 3.49Å; C38-V42 PolarHBondContact O-N 3.22Å; R39-V42 CarbonylContact O-C 3.56Å; R39-V42 PolarHBondContact O-N 2.93Å; R39-V42 VanDerWaalsContact O-N 3.12Å; W40-V42 PolarHBondContact O-N 2.83Å; V42-F81 HydrophobicContact CG2-CE2 3.87Å; V42-F81 HydrophobicContact CG2-CZ 4.16Å; V42-T83 WeakPolarHBondContact O-CA 3.39Å; V42-T83 WeakPolarHBondContact O-CB 3.2Å; V42-T83 PolarHBondContact O-OG1 2.88Å; V42-P84 WeakPolarHBondContact O-CD 3.29Å; V42-I85 HydrophobicContact CB-CD1 3.93Å; V42-I85 HydrophobicContact CG1-CD1 3.81Å; V42-L89 HydrophobicContact CG2-CD2 3.78Å
43T84.8Confident84Confident9 Ų986.3 Ų86.36%0.05541%0.406CS..  trans-76.7136.4175.6-63.70000109.4R39 F45 E50 L82R39-T43 PolarHBondContact O-N 2.94Å; R39-T43 PolarHBondContact O-OG1 3.46Å; T43-F45 HydrophobicContact CG2-CE2 4.1Å; T43-F45 HydrophobicContact CG2-CZ 4.15Å; T43-F45 WeakPolarHBondContact O-CD2 3.41Å; T43-F45 WeakPolarHBondContact O-CE2 3.41Å; T43-E50 HydrophobicContact CG2-CB 4.13Å; T43-E50 HydrophobicContact CG2-CG 3.48Å; T43-E50 VanDerWaalsContact CG2-CG 3.48Å; T43-L82 CarbonylContact C-O 3.53Å
44Q82.9Confident84.1Confident60 Ų6080 Ų8028%0.2839%0.387SS..  trans-76.3128170.4-176.763.424.900109.2A51 L82Q44-A51 HydrophobicContact CB-CB 4.24Å; Q44-A51 HydrophobicContact CG-CB 4.03Å; Q44-A51 WeakPolarHBondContact O-CB 3.48Å; Q44-A51 PolarHBondContact O-N 3.41Å; Q44-L82 HydrophobicContact CB-CB 4.12Å; Q44-L82 WeakPolarHBondContact CB-O 3.43Å; Q44-L82 PolarHBondContact N-O 2.68Å
45F81.7Confident84.4Confident98 Ų9884.4 Ų84.443%0.4341%0.41SS..EExtended strand (participates in β ladder)trans-107.8139.2175-67.6-92.1000110.1T43 W49T43-F45 HydrophobicContact CG2-CE2 4.1Å; T43-F45 HydrophobicContact CG2-CZ 4.15Å; T43-F45 WeakPolarHBondContact O-CD2 3.41Å; T43-F45 WeakPolarHBondContact O-CE2 3.41Å; F45-W49 CarbonylContact C-O 3.49Å; F45-W49 VanDerWaalsContact CA-O 3.27Å; F45-W49 WeakPolarHBondContact CA-O 3.49Å
46D76.6Confident84.6Confident110 Ų11085 Ų8559%0.58841%0.412SS*.EExtended strand (participates in β ladder)trans-103.4109.3165.8-172.214.6000108.5E48 W49D46-E48 VanDerWaalsContact C-N 3.25Å; D46-E48 PolarHBondContact O-N 3.34Å; D46-W49 PolarHBondContact N-O 3.49Å; D46-W49 PolarHBondContact O-N 3.28Å
47I73Confident84.9Confident158 Ų15883.2 Ų83.281%0.8140%0.401SS*.THydrogen-bonded Turntrans57.8-75.9-174.3-56.1167000112.8
48E75.1Confident85.2Confident156 Ų15681.3 Ų81.373%0.72939%0.391SS*.THydrogen-bonded Turntrans-133.8-7.8-177.6-76.5176.2-174.300113.2D46D46-E48 VanDerWaalsContact C-N 3.25Å; D46-E48 PolarHBondContact O-N 3.34Å
49W81.7Confident85.7Confident203 Ų20385.5 Ų85.577%0.76940%0.404SS*.EExtended strand (participates in β ladder)trans-116.4152.3-174.2-6596.4000111.6F45 D46 A51F45-W49 CarbonylContact C-O 3.49Å; F45-W49 VanDerWaalsContact CA-O 3.27Å; F45-W49 WeakPolarHBondContact CA-O 3.49Å; D46-W49 PolarHBondContact N-O 3.49Å; D46-W49 PolarHBondContact O-N 3.28Å; W49-A51 PolarHBondContact O-N 3.35Å
50E86.4Confident86.1Confident58 Ų5884.5 Ų84.527%0.27140%0.4SS..EExtended strand (participates in β ladder)trans-61126.7172.5173.2166.7174.900110.2R39 T43 K52 F81R39-E50 IonicContact CZ-OE1 2.77Å; R39-E50 IonicContact CZ-OE2 3.34Å; R39-E50 IonicContact NH1-OE1 3.74Å; R39-E50 PolarHBondContact NH1-OE1 3.4Å; R39-E50 IonicContact NH1-OE2 3.59Å; R39-E50 PolarHBondContact NH1-OE2 2.94Å; R39-E50 VanDerWaalsContact NH2-CD 3.28Å; R39-E50 IonicContact NH2-OE1 3Å; R39-E50 PolarHBondContact NH2-OE1 2.83Å; R39-E50 IonicContact NH2-OE2 3.99Å; R39-E50 PolarHBondContact NH2-OE2 2.92Å; T43-E50 HydrophobicContact CG2-CB 4.13Å; T43-E50 HydrophobicContact CG2-CG 3.48Å; T43-E50 VanDerWaalsContact CG2-CG 3.48Å; E50-K52 PolarHBondContact O-N 2.89Å; E50-F81 VanDerWaalsContact OE1-CB 3.26Å; E50-F81 WeakPolarHBondContact OE1-CB 3.5Å
51A86.2Confident86.6Confident19 Ų1977.2 Ų77.216%0.15737%0.374CS..PPolyproline II helixtrans-64.4117.5176.100000109.1Q44 W49 L82Q44-A51 HydrophobicContact CB-CB 4.24Å; Q44-A51 HydrophobicContact CG-CB 4.03Å; Q44-A51 WeakPolarHBondContact O-CB 3.48Å; Q44-A51 PolarHBondContact O-N 3.41Å; W49-A51 PolarHBondContact O-N 3.35Å; A51-L82 HydrophobicContact CB-CD1 4.26Å
52K89Confident87.1Confident183 Ų18380.6 Ų80.680%0.79638%0.377SS*.PPolyproline II helixtrans-74.9144.2-177.8-67.3-176.5179.91770110.9E50E50-K52 PolarHBondContact O-N 2.89Å
53P90.3Very high87.7Confident25 Ų2583.2 Ų83.216%0.16239%0.388CS..PPolyproline II helixtrans-56.2141.3169.9-22.532.5000111.5I57 L58 I80P53-I57 HydrophobicContact CB-CB 4.16Å; P53-I57 HydrophobicContact CB-CD1 4.44Å; P53-I57 HydrophobicContact CB-CG2 4.01Å; P53-L58 HydrophobicContact CB-CD2 4.26Å; P53-L58 HydrophobicContact CB-CG 4.37Å; P53-I80 HydrophobicContact CB-CG2 4.39Å; P53-I80 HydrophobicContact CG-CB 4.27Å; P53-I80 HydrophobicContact CG-CG2 3.98Å; P53-I80 WeakPolarHBondContact CG-O 3.21Å
54S90.3Very high88.2Confident37 Ų3782.8 Ų82.826%0.25939%0.386SS..PPolyproline II helixtrans-66159.7176.365.10000111.8R56 I57 L58 G109S54-R56 PolarHBondContact O-N 3.23Å; S54-I57 PolarHBondContact O-N 3.12Å; S54-L58 PolarHBondContact O-N 3.5Å; S54-L58 VanDerWaalsContact O-N 3.12Å; S54-G109 WeakPolarHBondContact OG-CA 3.4Å; S54-G109 PolarHBondContact OG-O 2.94Å; S54-G109 VanDerWaalsContact OG-O 3.06Å
55E90.8Very high88.7Confident172 Ų17280.5 Ų80.580%0.80438%0.377SS*.Hα-helixtrans-55.6-35176.4-66.7-169.4166.400112.1I57 L58 R59E55-I57 PolarHBondContact O-N 2.92Å; E55-L58 PolarHBondContact O-N 2.94Å; E55-R59 VanDerWaalsContact O-CB 3.29Å; E55-R59 WeakPolarHBondContact O-CB 3.26Å; E55-R59 PolarHBondContact O-N 3.3Å
56R92.4Very high89.3Confident16 Ų1679.6 Ų79.66%0.0638%0.382CS..Hα-helixtrans-53.5-53.1172.7-173.4-158.1-173.7-172.81.2111.9S54 L58 R59 I60 F108 Y110 E111 L146S54-R56 PolarHBondContact O-N 3.23Å; R56-L58 VanDerWaalsContact C-N 3.34Å; R56-L58 PolarHBondContact O-N 3.36Å; R56-R59 PolarHBondContact O-N 3.07Å; R56-I60 HydrophobicContact CG-CD1 3.88Å; R56-I60 WeakPolarHBondContact O-CB 3.18Å; R56-I60 VanDerWaalsContact O-CG1 3.28Å; R56-I60 WeakPolarHBondContact O-CG1 3.33Å; R56-I60 PolarHBondContact O-N 3.44Å; R56-F108 PolarHBondContact NH1-O 3.21Å; R56-Y110 PolarHBondContact NH1-O 2.84Å; R56-E111 HydrophobicContact CB-CG 4.42Å; R56-E111 WeakPolarHBondContact CB-OE1 3.49Å; R56-E111 HydrophobicContact CG-CG 4.07Å; R56-E111 WeakPolarHBondContact CG-OE1 3.48Å; R56-L146 PolarHBondContact NH2-O 2.97Å
57I93.3Very high90.1Very high0 Ų077 Ų770%037%0.366CS..Hα-helixtrans-63-44-179.4-66.4172.6000110P53 S54 E55 I60 T61 I80 L82 L104 L151P53-I57 HydrophobicContact CB-CB 4.16Å; P53-I57 HydrophobicContact CB-CD1 4.44Å; P53-I57 HydrophobicContact CB-CG2 4.01Å; S54-I57 PolarHBondContact O-N 3.12Å; E55-I57 PolarHBondContact O-N 2.92Å; I57-I60 PolarHBondContact O-N 2.91Å; I57-T61 VanDerWaalsContact O-CB 3.29Å; I57-T61 WeakPolarHBondContact O-CB 3.39Å; I57-T61 PolarHBondContact O-N 3.32Å; I57-T61 PolarHBondContact O-OG1 3.42Å; I57-I80 HydrophobicContact CG2-CD1 4.47Å; I57-I80 HydrophobicContact CG2-CG2 3.93Å; I57-L82 HydrophobicContact CD1-CD2 3.81Å; I57-L104 HydrophobicContact CD1-CD1 4.48Å; I57-L104 HydrophobicContact CG2-CD1 3.89Å; I57-L151 HydrophobicContact CG1-CD2 4.31Å
58L93.7Very high91.2Very high83 Ų8369.9 Ų69.944%0.43533%0.329SS..Hα-helixtrans-64.4-42.2179.8-65.2176.2000112.2P53 S54 E55 R56 T61 K62P53-L58 HydrophobicContact CB-CD2 4.26Å; P53-L58 HydrophobicContact CB-CG 4.37Å; S54-L58 PolarHBondContact O-N 3.5Å; S54-L58 VanDerWaalsContact O-N 3.12Å; E55-L58 PolarHBondContact O-N 2.94Å; R56-L58 VanDerWaalsContact C-N 3.34Å; R56-L58 PolarHBondContact O-N 3.36Å; L58-T61 PolarHBondContact O-N 2.91Å; L58-K62 WeakPolarHBondContact O-CG 3.32Å; L58-K62 PolarHBondContact O-N 3.27Å
59R94.8Very high92Very high109 Ų10966.4 Ų66.441%0.41132%0.316SS..Hα-helixtrans-60.8-52.4175.5177.6-179.661.682-5.8110.9E55 R56 T61 K62 E63 E148E55-R59 VanDerWaalsContact O-CB 3.29Å; E55-R59 WeakPolarHBondContact O-CB 3.26Å; E55-R59 PolarHBondContact O-N 3.3Å; R56-R59 PolarHBondContact O-N 3.07Å; R59-T61 VanDerWaalsContact C-N 3.3Å; R59-T61 PolarHBondContact O-N 2.97Å; R59-K62 PolarHBondContact O-N 3.02Å; R59-E63 PolarHBondContact O-N 3.41Å; R59-E148 IonicContact CZ-OE1 2.83Å; R59-E148 IonicContact CZ-OE2 3.32Å; R59-E148 IonicContact NH1-OE1 3.88Å; R59-E148 PolarHBondContact NH1-OE1 2.89Å; R59-E148 IonicContact NH1-OE2 3.8Å; R59-E148 IonicContact NH2-OE1 3.3Å; R59-E148 PolarHBondContact NH2-OE1 3Å; R59-E148 IonicContact NH2-OE2 2.94Å; R59-E148 PolarHBondContact NH2-OE2 2.9Å
60I94.7Very high92.4Very high0 Ų057.5 Ų57.50%028%0.283CS..Hα-helixtrans-61.2-41.8179.9-70167.3000110.7R56 I57 K62 E63 V64 E148 L151 K152 I155R56-I60 HydrophobicContact CG-CD1 3.88Å; R56-I60 WeakPolarHBondContact O-CB 3.18Å; R56-I60 VanDerWaalsContact O-CG1 3.28Å; R56-I60 WeakPolarHBondContact O-CG1 3.33Å; R56-I60 PolarHBondContact O-N 3.44Å; I57-I60 PolarHBondContact O-N 2.91Å; I60-K62 PolarHBondContact O-N 3.28Å; I60-E63 WeakPolarHBondContact O-CB 3.25Å; I60-E63 PolarHBondContact O-N 3.38Å; I60-V64 HydrophobicContact CG2-CG2 4.19Å; I60-V64 VanDerWaalsContact O-CG2 3.32Å; I60-V64 WeakPolarHBondContact O-CG2 3.24Å; I60-V64 PolarHBondContact O-N 3.49Å; I60-E148 HydrophobicContact CD1-CB 4.45Å; I60-E148 HydrophobicContact CD1-CG 3.71Å; I60-E148 HydrophobicContact CG1-CG 4.09Å; I60-L151 HydrophobicContact CD1-CB 4.39Å; I60-L151 HydrophobicContact CD1-CD2 3.61Å; I60-L151 HydrophobicContact CD1-CG 4.1Å; I60-L151 HydrophobicContact CG2-CG 4.46Å; I60-K152 HydrophobicContact CG2-CB 4.37Å; I60-K152 HydrophobicContact CG2-CG 3.53Å; I60-I155 HydrophobicContact CB-CD1 4.42Å; I60-I155 HydrophobicContact CG2-CD1 3.73Å
61T94.8Very high92.6Very high13 Ų1358.5 Ų58.58%0.0829%0.293CS..Hα-helixtrans-60.3-46.5177.5-59.80000111.5I57 L58 R59 E63 V64 C65 L78 I80I57-T61 VanDerWaalsContact O-CB 3.29Å; I57-T61 WeakPolarHBondContact O-CB 3.39Å; I57-T61 PolarHBondContact O-N 3.32Å; I57-T61 PolarHBondContact O-OG1 3.42Å; L58-T61 PolarHBondContact O-N 2.91Å; R59-T61 VanDerWaalsContact C-N 3.3Å; R59-T61 PolarHBondContact O-N 2.97Å; T61-E63 VanDerWaalsContact C-N 3.29Å; T61-E63 PolarHBondContact O-N 3.33Å; T61-V64 PolarHBondContact O-N 2.91Å; T61-C65 WeakPolarHBondContact O-CB 3.11Å; T61-C65 PolarHBondContact O-N 2.82Å; T61-C65 PolarHBondContact O-SG 3.38Å; T61-L78 HydrophobicContact CG2-CD2 4.37Å; T61-I80 HydrophobicContact CG2-CD1 3.31Å; T61-I80 WeakPolarHBondContact OG1-CD1 3.47Å
62K94.3Very high92.8Very high163 Ų16363.7 Ų63.771%0.70932%0.319SS*.Hα-helixtrans-59.4-42.6177.2-75175.2-179.5179.60111.6L58 R59 I60 S66L58-K62 WeakPolarHBondContact O-CG 3.32Å; L58-K62 PolarHBondContact O-N 3.27Å; R59-K62 PolarHBondContact O-N 3.02Å; I60-K62 PolarHBondContact O-N 3.28Å; K62-S66 PolarHBondContact O-N 2.87Å
63E94.4Very high92.9Very high75 Ų7562.1 Ų62.135%0.3531%0.308SS..Hα-helixtrans-61.6-50.7175.4-173.7-175.4158.900111.1R59 I60 T61 C65 S66 K152R59-E63 PolarHBondContact O-N 3.41Å; I60-E63 WeakPolarHBondContact O-CB 3.25Å; I60-E63 PolarHBondContact O-N 3.38Å; T61-E63 VanDerWaalsContact C-N 3.29Å; T61-E63 PolarHBondContact O-N 3.33Å; E63-C65 VanDerWaalsContact C-N 3.35Å; E63-C65 PolarHBondContact O-N 2.81Å; E63-S66 WeakPolarHBondContact O-CB 3.23Å; E63-S66 PolarHBondContact O-N 3.26Å; E63-S66 PolarHBondContact O-OG 3.49Å; E63-K152 VanDerWaalsContact CD-CE 3.46Å; E63-K152 WeakPolarHBondContact OE1-CE 3.46Å; E63-K152 IonicContact OE1-NZ 3.27Å; E63-K152 PolarHBondContact OE1-NZ 2.98Å; E63-K152 WeakPolarHBondContact OE2-CE 3.49Å; E63-K152 IonicContact OE2-NZ 3.6Å; E63-K152 PolarHBondContact OE2-NZ 2.99Å
64V95.3Very high92.9Very high1 Ų162.7 Ų62.71%0.00631%0.309CS..Hα-helixtrans-60.5-43.7179.6173.60000111.3I60 T61 S66 H67 F68 K152 I155 A156 I159 F257I60-V64 HydrophobicContact CG2-CG2 4.19Å; I60-V64 VanDerWaalsContact O-CG2 3.32Å; I60-V64 WeakPolarHBondContact O-CG2 3.24Å; I60-V64 PolarHBondContact O-N 3.49Å; T61-V64 PolarHBondContact O-N 2.91Å; V64-S66 PolarHBondContact O-N 3.21Å; V64-S66 VanDerWaalsContact O-N 3.07Å; V64-H67 WeakPolarHBondContact O-CB 3.37Å; V64-H67 PolarHBondContact O-N 2.82Å; V64-F68 HydrophobicContact CG1-CD2 4.35Å; V64-F68 HydrophobicContact CG1-CE2 3.77Å; V64-F68 VanDerWaalsContact O-CD2 3.28Å; V64-F68 WeakPolarHBondContact O-CD2 3.46Å; V64-K152 HydrophobicContact CG2-CB 4.21Å; V64-K152 HydrophobicContact CG2-CG 4.21Å; V64-I155 HydrophobicContact CB-CG2 4.19Å; V64-I155 HydrophobicContact CG1-CG2 4.08Å; V64-I155 HydrophobicContact CG2-CB 4.46Å; V64-I155 HydrophobicContact CG2-CG2 4.4Å; V64-A156 HydrophobicContact CG1-CB 3.65Å; V64-I159 HydrophobicContact CG1-CD1 3.79Å; V64-F257 HydrophobicContact CG2-CE1 4.48Å
65C94.2Very high93Very high12 Ų1265.1 Ų65.18%0.08132%0.315CS..Hα-helixtrans-57.9-21.9177.3-76.20000113.6T61 E63 H67 F68T61-C65 WeakPolarHBondContact O-CB 3.11Å; T61-C65 PolarHBondContact O-N 2.82Å; T61-C65 PolarHBondContact O-SG 3.38Å; E63-C65 VanDerWaalsContact C-N 3.35Å; E63-C65 PolarHBondContact O-N 2.81Å; C65-H67 VanDerWaalsContact C-N 3.25Å; C65-H67 PolarHBondContact O-N 3.48Å; C65-F68 PolarHBondContact O-N 3.42Å
66S93.4Very high92.9Very high78 Ų7861.3 Ų61.355%0.54531%0.307SS..THydrogen-bonded Turntrans-70.5-20.3174.877.10000113.4K62 E63 V64 F68K62-S66 PolarHBondContact O-N 2.87Å; E63-S66 WeakPolarHBondContact O-CB 3.23Å; E63-S66 PolarHBondContact O-N 3.26Å; E63-S66 PolarHBondContact O-OG 3.49Å; V64-S66 PolarHBondContact O-N 3.21Å; V64-S66 VanDerWaalsContact O-N 3.07Å; S66-F68 VanDerWaalsContact C-N 3.27Å; S66-F68 PolarHBondContact O-N 3.01Å
67H94.5Very high92.7Very high56 Ų5662.1 Ų62.126%0.25931%0.312SS..THydrogen-bonded Turntrans-85.74.7175.2-63.8-81000113.6V64 C65 V167 L253 F257V64-H67 WeakPolarHBondContact O-CB 3.37Å; V64-H67 PolarHBondContact O-N 2.82Å; C65-H67 VanDerWaalsContact C-N 3.25Å; C65-H67 PolarHBondContact O-N 3.48Å; H67-V167 PolarHBondContact O-N 3.34Å; H67-L253 HydrophobicContact CB-CD1 4.2Å; H67-L253 HydrophobicContact CB-CD2 4.32Å; H67-F257 AromaticContact CD2-CE2 3.88Å; H67-F257 AromaticContact CD2-CZ 3.68Å; H67-F257 AromaticContact CG-CE2 4Å; H67-F257 AromaticContact NE2-CE2 3.87Å; H67-F257 AromaticContact NE2-CZ 3.99Å
68F94.8Very high92.7Very high8 Ų863.1 Ų63.14%0.03532%0.317CS..BIsolated β-bridgetrans-124141.4180-66.2-93000111.4V64 C65 S66 M70 A156 I159 V160 V165 T166 L253V64-F68 HydrophobicContact CG1-CD2 4.35Å; V64-F68 HydrophobicContact CG1-CE2 3.77Å; V64-F68 VanDerWaalsContact O-CD2 3.28Å; V64-F68 WeakPolarHBondContact O-CD2 3.46Å; C65-F68 PolarHBondContact O-N 3.42Å; S66-F68 VanDerWaalsContact C-N 3.27Å; S66-F68 PolarHBondContact O-N 3.01Å; F68-M70 HydrophobicContact CB-CG 3.82Å; F68-M70 HydrophobicContact CB-SD 4.04Å; F68-M70 PolarHBondContact O-N 3.36Å; F68-A156 HydrophobicContact CE2-CB 4.17Å; F68-A156 HydrophobicContact CZ-CB 4.17Å; F68-I159 HydrophobicContact CD1-CG2 3.69Å; F68-I159 HydrophobicContact CD2-CD1 4.44Å; F68-I159 HydrophobicContact CD2-CG2 4.02Å; F68-I159 HydrophobicContact CE1-CB 4.36Å; F68-I159 HydrophobicContact CE1-CG2 3.71Å; F68-I159 HydrophobicContact CE2-CB 4.31Å; F68-I159 HydrophobicContact CE2-CD1 4.32Å; F68-I159 HydrophobicContact CE2-CG2 4.05Å; F68-I159 HydrophobicContact CG-CG2 3.86Å; F68-I159 HydrophobicContact CZ-CB 4.14Å; F68-I159 HydrophobicContact CZ-CG2 3.89Å; F68-V160 HydrophobicContact CE1-CG2 3.59Å; F68-V160 HydrophobicContact CZ-CG2 3.86Å; F68-V165 CarbonylContact C-O 3.51Å; F68-V165 VanDerWaalsContact CA-O 3.3Å; F68-V165 WeakPolarHBondContact CA-O 3.37Å; F68-V165 WeakPolarHBondContact CB-O 3.42Å; F68-V165 WeakPolarHBondContact CD1-O 3.37Å; F68-T166 HydrophobicContact CD1-CG2 4.24Å; F68-T166 HydrophobicContact CE1-CG2 3.86Å; F68-L253 HydrophobicContact CE2-CD1 4.22Å; F68-L253 HydrophobicContact CZ-CD1 4.03Å
69N92.3Very high92.7Very high84 Ų8461.6 Ų61.645%0.44931%0.309SS..  trans-76.366.3173.7-74-16.4000110.1V165 T166 D169N69-V165 PolarHBondContact N-O 3.06Å; N69-T166 PolarHBondContact ND2-O 2.78Å; N69-D169 PolarHBondContact ND2-OD1 3.28Å
70M90.1Very high92.7Very high16 Ų1657.1 Ų57.18%0.07929%0.293CS..  trans-102.8131.7-179.5-67.617966.500111.8F68 Q74 K75 L94 I159F68-M70 HydrophobicContact CB-CG 3.82Å; F68-M70 HydrophobicContact CB-SD 4.04Å; F68-M70 PolarHBondContact O-N 3.36Å; M70-Q74 HydrophobicContact CB-CB 4.31Å; M70-Q74 HydrophobicContact CE-CB 3.95Å; M70-K75 HydrophobicContact CB-CG 3.97Å; M70-K75 HydrophobicContact CE-CG 4.23Å; M70-K75 WeakPolarHBondContact O-CE 3.47Å; M70-L94 HydrophobicContact CE-CD1 3.72Å; M70-L94 HydrophobicContact CE-CD2 3.72Å; M70-L94 HydrophobicContact CE-CG 4.33Å; M70-L94 HydrophobicContact SD-CD1 4.23Å; M70-I159 HydrophobicContact SD-CG2 4.15Å
71T91.6Very high92.6Very high79 Ų7957.1 Ų57.149%0.48529%0.293SS..  trans-69.7158.7170.167.40000110.8Y73 Q74 K75T71-Y73 PolarHBondContact O-N 3.47Å; T71-Q74 WeakPolarHBondContact O-CB 3.34Å; T71-Q74 PolarHBondContact O-N 2.99Å; T71-Q74 WeakPolarHBondContact OG1-CG 3.4Å; T71-Q74 PolarHBondContact OG1-N 2.82Å; T71-K75 PolarHBondContact O-N 3.34Å
72D90.3Very high92.4Very high128 Ų12857.1 Ų57.168%0.68429%0.293SS*.Hα-helixtrans-60.2-32.1176.6-63.9-31.9000112.1K75 S76D72-K75 PolarHBondContact O-N 3.19Å; D72-K75 IonicContact OD1-NZ 3.99Å; D72-S76 WeakPolarHBondContact O-CB 3.48Å; D72-S76 PolarHBondContact O-N 3.22Å; D72-S76 PolarHBondContact O-OG 3.09Å
73Y90.1Very high91.9Very high149 Ų14949.3 Ų49.358%0.58426%0.259SS*.Hα-helixtrans-59.9-49.6170.8-178.9-105.4000111.7T71 K75 S76 Q77T71-Y73 PolarHBondContact O-N 3.47Å; Y73-K75 VanDerWaalsContact C-N 3.33Å; Y73-K75 PolarHBondContact O-N 3.11Å; Y73-S76 PolarHBondContact O-N 3.27Å; Y73-S76 VanDerWaalsContact O-N 3.15Å; Y73-S76 PolarHBondContact O-OG 3.49Å; Y73-Q77 HydrophobicContact CD1-CG 4.45Å; Y73-Q77 HydrophobicContact CE1-CG 4.15Å; Y73-Q77 VanDerWaalsContact CE1-OE1 3.29Å; Y73-Q77 HydrophobicContact CE2-CG 4.47Å; Y73-Q77 WeakPolarHBondContact O-CG 3.37Å; Y73-Q77 PolarHBondContact O-N 3.25Å; Y73-Q77 PolarHBondContact OH-NE2 3.42Å
74Q91.8Very high91.1Very high37 Ų3749 Ų4917%0.17326%0.263CS..Hα-helixtrans-63.6-38.2178.5-71.6173.8-45.100112.5M70 T71 S76 Q77 L78 L94M70-Q74 HydrophobicContact CB-CB 4.31Å; M70-Q74 HydrophobicContact CE-CB 3.95Å; T71-Q74 WeakPolarHBondContact O-CB 3.34Å; T71-Q74 PolarHBondContact O-N 2.99Å; T71-Q74 WeakPolarHBondContact OG1-CG 3.4Å; T71-Q74 PolarHBondContact OG1-N 2.82Å; Q74-S76 VanDerWaalsContact C-N 3.33Å; Q74-Q77 PolarHBondContact O-N 3.43Å; Q74-L78 PolarHBondContact O-N 3.11Å; Q74-L94 HydrophobicContact CB-CD2 4.36Å; Q74-L94 PolarHBondContact NE2-O 3.46Å
75K90.6Very high90.3Very high89 Ų8950 Ų5039%0.38727%0.268SS..Hα-helixtrans-63.8-39.1174.2-67.4174.8-173.9166.80111.5M70 T71 D72 Y73 Q77 L78M70-K75 HydrophobicContact CB-CG 3.97Å; M70-K75 HydrophobicContact CE-CG 4.23Å; M70-K75 WeakPolarHBondContact O-CE 3.47Å; T71-K75 PolarHBondContact O-N 3.34Å; D72-K75 PolarHBondContact O-N 3.19Å; D72-K75 IonicContact OD1-NZ 3.99Å; Y73-K75 VanDerWaalsContact C-N 3.33Å; Y73-K75 PolarHBondContact O-N 3.11Å; K75-Q77 VanDerWaalsContact C-N 3.3Å; K75-Q77 PolarHBondContact O-N 2.87Å; K75-L78 PolarHBondContact O-N 3.43Å
76S88.7Confident89.5Confident92 Ų9250 Ų5064%0.64327%0.268SS*.Hα-helixtrans-70.6-24.3176.875.30000113.8D72 Y73 Q74D72-S76 WeakPolarHBondContact O-CB 3.48Å; D72-S76 PolarHBondContact O-N 3.22Å; D72-S76 PolarHBondContact O-OG 3.09Å; Y73-S76 PolarHBondContact O-N 3.27Å; Y73-S76 VanDerWaalsContact O-N 3.15Å; Y73-S76 PolarHBondContact O-OG 3.49Å; Q74-S76 VanDerWaalsContact C-N 3.33Å
77Q89.5Confident88.9Confident32 Ų3246.6 Ų46.615%0.1524%0.243CC..Hα-helixtrans-83.2-19.3176.3-74.1-173.1-44.300113.7Y73 Q74 K75 D79 G98Y73-Q77 HydrophobicContact CD1-CG 4.45Å; Y73-Q77 HydrophobicContact CE1-CG 4.15Å; Y73-Q77 VanDerWaalsContact CE1-OE1 3.29Å; Y73-Q77 HydrophobicContact CE2-CG 4.47Å; Y73-Q77 WeakPolarHBondContact O-CG 3.37Å; Y73-Q77 PolarHBondContact O-N 3.25Å; Y73-Q77 PolarHBondContact OH-NE2 3.42Å; Q74-Q77 PolarHBondContact O-N 3.43Å; K75-Q77 VanDerWaalsContact C-N 3.3Å; K75-Q77 PolarHBondContact O-N 2.87Å; Q77-D79 PolarHBondContact O-N 3.47Å; Q77-G98 PolarHBondContact NE2-O 2.91Å; Q77-G98 VanDerWaalsContact NE2-O 3.12Å
78L93Very high88.6Confident22 Ų2243.9 Ų43.912%0.11523%0.231CC..EExtended strand (participates in β ladder)trans-75.4108.8179.4-17666.9000109.4T61 Q74 K75 L94 A100 I102 I159 L162T61-L78 HydrophobicContact CG2-CD2 4.37Å; Q74-L78 PolarHBondContact O-N 3.11Å; K75-L78 PolarHBondContact O-N 3.43Å; L78-L94 HydrophobicContact CB-CD2 4.34Å; L78-L94 HydrophobicContact CD1-CD2 4.41Å; L78-A100 WeakPolarHBondContact CA-O 3.47Å; L78-A100 HydrophobicContact CD1-CB 4.44Å; L78-I102 HydrophobicContact CD1-CD1 3.76Å; L78-I102 HydrophobicContact CD1-CG1 3.93Å; L78-I159 HydrophobicContact CD2-CD1 4.34Å; L78-I159 HydrophobicContact CD2-CG1 4.28Å; L78-L162 HydrophobicContact CD1-CD1 3.54Å
79D93.3Very high88.2Confident51 Ų5143.6 Ų43.627%0.27323%0.229SC..EExtended strand (participates in β ladder)trans-109.5126.4178.6171.638.6000110.2R39 Q77 A100 F101 I102R39-D79 IonicContact CZ-OD2 2.77Å; R39-D79 VanDerWaalsContact CZ-OD2 3.25Å; R39-D79 IonicContact NE-OD2 3.37Å; R39-D79 PolarHBondContact NE-OD2 3.18Å; R39-D79 IonicContact NH2-OD1 3.58Å; R39-D79 IonicContact NH2-OD2 3.45Å; R39-D79 PolarHBondContact NH2-OD2 3.38Å; Q77-D79 PolarHBondContact O-N 3.47Å; D79-A100 PolarHBondContact N-O 3.37Å; D79-F101 HydrophobicContact CB-CD1 3.69Å; D79-F101 HydrophobicContact CB-CE1 3.91Å; D79-F101 CarbonylContact O-C 3.49Å; D79-F101 VanDerWaalsContact O-CA 3.32Å; D79-F101 WeakPolarHBondContact O-CA 3.26Å; D79-F101 VanDerWaalsContact OD2-CD1 3.31Å; D79-F101 WeakPolarHBondContact OD2-CD1 3.42Å; D79-F101 VanDerWaalsContact OD2-CE1 3.28Å; D79-F101 WeakPolarHBondContact OD2-CE1 3.47Å; D79-I102 PolarHBondContact O-N 2.99Å
80I93.9Very high88.1Confident14 Ų1439.6 Ų39.67%0.07221%0.208CC..EExtended strand (participates in β ladder)trans-106.4125.7178.2-64.6172.1000107.8P53 I57 T61 I102 L104P53-I80 HydrophobicContact CB-CG2 4.39Å; P53-I80 HydrophobicContact CG-CB 4.27Å; P53-I80 HydrophobicContact CG-CG2 3.98Å; P53-I80 WeakPolarHBondContact CG-O 3.21Å; I57-I80 HydrophobicContact CG2-CD1 4.47Å; I57-I80 HydrophobicContact CG2-CG2 3.93Å; T61-I80 HydrophobicContact CG2-CD1 3.31Å; T61-I80 WeakPolarHBondContact OG1-CD1 3.47Å; I80-I102 WeakPolarHBondContact CA-O 3.33Å; I80-I102 HydrophobicContact CG1-CB 4.27Å; I80-L104 HydrophobicContact CG2-CD1 4.03Å; I80-L104 HydrophobicContact CG2-CG 4.44Å
81F92.7Very high88Confident0 Ų039.5 Ų39.50%021%0.208CC..EExtended strand (participates in β ladder)trans-128.4159.1178.571.8-81.6000110.5R39 V42 E50 L89 F101 I102 G103 L104R39-F81 HydrophobicContact CG-CD1 4Å; R39-F81 HydrophobicContact CG-CD2 4.33Å; R39-F81 HydrophobicContact CG-CE1 3.99Å; R39-F81 HydrophobicContact CG-CE2 4.31Å; R39-F81 HydrophobicContact CG-CG 4.18Å; R39-F81 HydrophobicContact CG-CZ 4.14Å; V42-F81 HydrophobicContact CG2-CE2 3.87Å; V42-F81 HydrophobicContact CG2-CZ 4.16Å; E50-F81 VanDerWaalsContact OE1-CB 3.26Å; E50-F81 WeakPolarHBondContact OE1-CB 3.5Å; F81-L89 HydrophobicContact CZ-CD2 4.28Å; F81-F101 HydrophobicContact CD1-CB 4.2Å; F81-F101 HydrophobicContact CE1-CB 3.83Å; F81-I102 WeakPolarHBondContact CD1-O 3.37Å; F81-I102 PolarHBondContact N-O 3.48Å; F81-G103 VanDerWaalsContact CE1-N 3.26Å; F81-G103 WeakPolarHBondContact O-CA 3.39Å; F81-L104 PolarHBondContact O-N 2.94Å
82L90.5Very high87.9Confident13 Ų1335.7 Ų35.77%0.06819%0.185CC..EExtended strand (participates in β ladder)trans-95.1143.9178.1-59.8-177.5000110.6T43 Q44 A51 I57 L104T43-L82 CarbonylContact C-O 3.53Å; Q44-L82 HydrophobicContact CB-CB 4.12Å; Q44-L82 WeakPolarHBondContact CB-O 3.43Å; Q44-L82 PolarHBondContact N-O 2.68Å; A51-L82 HydrophobicContact CB-CD1 4.26Å; I57-L82 HydrophobicContact CD1-CD2 3.81Å; L82-L104 CarbonylContact C-O 3.5Å; L82-L104 VanDerWaalsContact CA-O 3.28Å; L82-L104 WeakPolarHBondContact CA-O 3.4Å
83T84.4Confident88Confident0 Ų029.6 Ų29.60%015%0.152CC..EExtended strand (participates in β ladder)trans-125.9144.7178-175.80000111.6V42 I85 L104 P105 Y106V42-T83 WeakPolarHBondContact O-CA 3.39Å; V42-T83 WeakPolarHBondContact O-CB 3.2Å; V42-T83 PolarHBondContact O-OG1 2.88Å; T83-I85 HydrophobicContact CG2-CB 4.12Å; T83-I85 PolarHBondContact O-N 2.98Å; T83-I85 WeakPolarHBondContact OG1-CG1 3.4Å; T83-I85 PolarHBondContact OG1-N 3.49Å; T83-L104 WeakPolarHBondContact CG2-O 3.46Å; T83-L104 PolarHBondContact N-O 3.12Å; T83-P105 WeakPolarHBondContact O-CA 3.45Å; T83-Y106 PolarHBondContact O-N 2.83Å
84P77.5Confident88.1Confident67 Ų6722.7 Ų22.744%0.43513%0.125SC..SBendtrans-67.7-14169.825.8-33000113V42V42-P84 WeakPolarHBondContact O-CD 3.29Å
85I78.1Confident87.9Confident23 Ų2326.7 Ų26.712%0.11814%0.139CC..SBendtrans-75141.3-179.1-54.3176.9000108.6V42 T83 E87 P105 Y353 I374V42-I85 HydrophobicContact CB-CD1 3.93Å; V42-I85 HydrophobicContact CG1-CD1 3.81Å; T83-I85 HydrophobicContact CG2-CB 4.12Å; T83-I85 PolarHBondContact O-N 2.98Å; T83-I85 WeakPolarHBondContact OG1-CG1 3.4Å; T83-I85 PolarHBondContact OG1-N 3.49Å; I85-E87 HydrophobicContact CG2-CB 4.16Å; I85-E87 PolarHBondContact O-N 3.06Å; I85-P105 WeakPolarHBondContact O-CB 3.37Å; I85-P105 WeakPolarHBondContact O-CG 3.36Å; I85-Y353 HydrophobicContact CG2-CE2 4.06Å; I85-Y353 WeakPolarHBondContact CG2-OH 3.22Å; I85-I374 HydrophobicContact CD1-CD1 3.81Å; I85-I374 HydrophobicContact CD1-CG1 4.23Å; I85-I374 HydrophobicContact CG2-CD1 3.86Å; I85-I374 HydrophobicContact CG2-CG1 4.46Å
86D78.1Confident87.6Confident13 Ų1324.2 Ų24.27%0.0713%0.132CC..SBendtrans-79.34.3178.768.2-11.5000113.9F107 R268 W271 Y353 R358D86-F107 HydrophobicContact CB-CE1 4.22Å; D86-F107 HydrophobicContact CB-CZ 4.06Å; D86-R268 PolarHBondContact O-NH1 2.91Å; D86-R268 IonicContact OD1-NH2 2.65Å; D86-W271 HydrophobicContact CB-CZ2 4.28Å; D86-W271 PolarHBondContact OD2-NE1 3.34Å; D86-Y353 PolarHBondContact N-OH 3.47Å; D86-Y353 PolarHBondContact OD1-OH 3.04Å; D86-R358 IonicContact OD1-NH1 2.77Å
87E81.4Confident87.2Confident5 Ų525.4 Ų25.42%0.02314%0.138CC..SBendtrans-111.5144.2179-74.2174.2-174.200110.5I85 R268 R358 I374I85-E87 HydrophobicContact CG2-CB 4.16Å; I85-E87 PolarHBondContact O-N 3.06Å; E87-R268 IonicContact OE1-NH2 3.56Å; E87-R358 IonicContact OE1-CZ 3.44Å; E87-R358 IonicContact OE1-NE 3.92Å; E87-R358 IonicContact OE1-NH1 3.65Å; E87-R358 IonicContact OE1-NH2 2.78Å; E87-R358 PolarHBondContact OE1-NH2 2.95Å; E87-R358 IonicContact OE2-NH2 3.15Å; E87-R358 PolarHBondContact OE2-NH2 3.17Å; E87-I374 HydrophobicContact CB-CD1 4.41Å
88S87.4Confident86.9Confident0 Ų025.2 Ų25.20%014%0.144CC..  trans-72.8140.1170.561.70000110.8G103 R157 E158 D370 G371S88-G103 CarbonylContact C-O 3.49Å; S88-G103 VanDerWaalsContact CA-O 3.24Å; S88-G103 WeakPolarHBondContact CA-O 3.33Å; S88-R157 PolarHBondContact OG-NH2 3.05Å; S88-E158 PolarHBondContact OG-OE1 2.91Å; S88-D370 PolarHBondContact N-OD1 2.98Å; S88-G371 WeakPolarHBondContact O-CA 3.38Å
89L86.4Confident86.6Confident1 Ų130 Ų301%0.00516%0.162CC..EExtended strand (participates in β ladder)trans-115.6142.8177.9-179.661.1000110.6V42 F81 L91 I102 G103 I374V42-L89 HydrophobicContact CG2-CD2 3.78Å; F81-L89 HydrophobicContact CZ-CD2 4.28Å; L89-L91 HydrophobicContact CD1-CD2 4.06Å; L89-L91 HydrophobicContact CD1-CG 4.35Å; L89-L91 HydrophobicContact CD2-CD1 3.85Å; L89-L91 HydrophobicContact CD2-CD2 4.26Å; L89-L91 HydrophobicContact CD2-CG 3.99Å; L89-L91 HydrophobicContact CG-CD1 4.36Å; L89-L91 HydrophobicContact CG-CD2 4.21Å; L89-L91 HydrophobicContact CG-CG 3.96Å; L89-I102 CarbonylContact O-C 3.59Å; L89-I102 WeakPolarHBondContact O-CA 3.43Å; L89-G103 PolarHBondContact N-O 3.44Å; L89-G103 PolarHBondContact O-N 3.38Å; L89-I374 HydrophobicContact CB-CD1 4.14Å; L89-I374 HydrophobicContact CD1-CB 3.9Å; L89-I374 HydrophobicContact CD1-CD1 4.14Å; L89-I374 HydrophobicContact CD1-CG2 3.96Å; L89-I374 HydrophobicContact CD2-CG2 4.05Å; L89-I374 HydrophobicContact CG-CD1 4.5Å
90V89.6Confident86.6Confident1 Ų127.6 Ų27.61%0.00615%0.149CC..EExtended strand (participates in β ladder)trans-127.4129.8169.5166.40000110.4F101 I102 E158 R161 L162 A176V90-F101 WeakPolarHBondContact CA-O 3.24Å; V90-I102 HydrophobicContact CG2-CG1 4.28Å; V90-E158 HydrophobicContact CG2-CB 3.4Å; V90-E158 VanDerWaalsContact CG2-CB 3.4Å; V90-E158 HydrophobicContact CG2-CG 3.64Å; V90-E158 WeakPolarHBondContact CG2-OE2 3.48Å; V90-R161 HydrophobicContact CG1-CB 4.23Å; V90-L162 HydrophobicContact CG1-CD1 4.35Å; V90-L162 HydrophobicContact CG1-CD2 3.38Å; V90-L162 HydrophobicContact CG1-CG 3.44Å; V90-L162 VanDerWaalsContact CG1-CG 3.44Å; V90-A176 HydrophobicContact CB-CB 4.46Å; V90-A176 HydrophobicContact CG1-CB 3.56Å
91L88.8Confident86.5Confident13 Ų1327.3 Ų27.37%0.06815%0.147CC..EExtended strand (participates in β ladder)trans-131142.5178.1-56.7171.2000110.1E35 C38 R39 L89 F101 L162E35-L91 HydrophobicContact CB-CB 4.39Å; E35-L91 HydrophobicContact CG-CB 4.41Å; C38-L91 HydrophobicContact CB-CD1 3.87Å; R39-L91 HydrophobicContact CB-CD1 4.26Å; L89-L91 HydrophobicContact CD1-CD2 4.06Å; L89-L91 HydrophobicContact CD1-CG 4.35Å; L89-L91 HydrophobicContact CD2-CD1 3.85Å; L89-L91 HydrophobicContact CD2-CD2 4.26Å; L89-L91 HydrophobicContact CD2-CG 3.99Å; L89-L91 HydrophobicContact CG-CD1 4.36Å; L89-L91 HydrophobicContact CG-CD2 4.21Å; L89-L91 HydrophobicContact CG-CG 3.96Å; L91-F101 HydrophobicContact CB-CB 4.21Å; L91-F101 HydrophobicContact CB-CD2 4.1Å; L91-F101 PolarHBondContact N-O 3.49Å; L91-F101 PolarHBondContact O-N 3.24Å; L91-L162 WeakPolarHBondContact O-CD2 3.28Å
92G90.3Very high86.6Confident0 Ų027.3 Ų27.30%015%0.147CC..EExtended strand (participates in β ladder)trans88.4-151174.800000114.8E35 Y99 R177E35-G92 WeakPolarHBondContact OE2-CA 3.43Å; G92-Y99 VanDerWaalsContact CA-O 3.26Å; G92-Y99 WeakPolarHBondContact CA-O 3.35Å; G92-R177 WeakPolarHBondContact O-CB 2.87Å; G92-R177 PolarHBondContact O-N 3.4Å
93S92.4Very high86.6Confident0 Ų026.7 Ų26.70%014%0.144CC..  trans-160.6141.6-175.3-1790000111.7R95 S96 Y99 S175S93-R95 VanDerWaalsContact C-N 3.32Å; S93-R95 PolarHBondContact OG-N 3.26Å; S93-R95 VanDerWaalsContact OG-N 3.11Å; S93-S96 PolarHBondContact OG-N 3.24Å; S93-Y99 PolarHBondContact N-O 2.87Å; S93-S175 WeakPolarHBondContact OG-CB 3.25Å; S93-S175 PolarHBondContact OG-OG 2.86Å
94L91.6Very high87Confident4 Ų426.7 Ų26.72%0.02114%0.144CC..SBendtrans-82.3-7.2170.9-72168.3000113.6M70 Q74 L78 A100 I159 L162M70-L94 HydrophobicContact CE-CD1 3.72Å; M70-L94 HydrophobicContact CE-CD2 3.72Å; M70-L94 HydrophobicContact CE-CG 4.33Å; M70-L94 HydrophobicContact SD-CD1 4.23Å; Q74-L94 HydrophobicContact CB-CD2 4.36Å; Q74-L94 PolarHBondContact NE2-O 3.46Å; L78-L94 HydrophobicContact CB-CD2 4.34Å; L78-L94 HydrophobicContact CD1-CD2 4.41Å; L94-A100 HydrophobicContact CD2-CB 3.61Å; L94-A100 HydrophobicContact CG-CB 3.95Å; L94-I159 HydrophobicContact CD1-CG2 4.12Å; L94-L162 HydrophobicContact CD1-CB 3.78Å; L94-L162 HydrophobicContact CD1-CD1 4.4Å; L94-L162 HydrophobicContact CG-CB 3.85Å; L94-L162 HydrophobicContact CG-CD1 4.42Å; L94-L162 PolarHBondContact N-O 3.16Å
95R87.9Confident87.5Confident121 Ų12123.5 Ų23.546%0.45712%0.123SC..SBendtrans-110.8-32.9-177.5-79.9-172.3159.9-134.9-13.9113.4S93 Q163 V165 K171S93-R95 VanDerWaalsContact C-N 3.32Å; S93-R95 PolarHBondContact OG-N 3.26Å; S93-R95 VanDerWaalsContact OG-N 3.11Å; R95-Q163 VanDerWaalsContact CD-CD 3.48Å; R95-V165 VanDerWaalsContact NH2-CG2 3.33Å; R95-K171 VanDerWaalsContact NH1-NZ 3.18Å
96S84.3Confident87.8Confident37 Ų3724.7 Ų24.726%0.25913%0.127SC..SBendtrans-88.1145.7175.8-58.50000110.3S93 G98S93-S96 PolarHBondContact OG-N 3.24Å; S96-G98 PolarHBondContact O-N 2.71Å
97P81.2Confident88.2Confident116 Ų11624.4 Ų24.475%0.75313%0.125SC*.SBendtrans-52139.9173.6-2532.8000112.1R177P97-R177 PolarHBondContact O-NH1 3Å
98G81.9Confident88.5Confident28 Ų2824.1 Ų24.129%0.28912%0.124SC..SBendtrans123.3-147.3178.300000112.1Q77 S96Q77-G98 PolarHBondContact NE2-O 2.91Å; Q77-G98 VanDerWaalsContact NE2-O 3.12Å; S96-G98 PolarHBondContact O-N 2.71Å
99Y86.9Confident88.3Confident123 Ų12324.7 Ų24.748%0.48213%0.129SC..  trans-97.9157.3-173.3-53.1-79000113V36 G92 S93 F101 R177V36-Y99 HydrophobicContact CG2-CD2 3.58Å; V36-Y99 HydrophobicContact CG2-CE2 3.55Å; V36-Y99 HydrophobicContact CG2-CG 4.35Å; G92-Y99 VanDerWaalsContact CA-O 3.26Å; G92-Y99 WeakPolarHBondContact CA-O 3.35Å; S93-Y99 PolarHBondContact N-O 2.87Å; Y99-F101 HydrophobicContact CD1-CE1 4.28Å; Y99-F101 AromaticContact CD1-CZ 3.73Å; Y99-F101 HydrophobicContact CD1-CZ 3.73Å; Y99-F101 HydrophobicContact CD2-CE2 4.36Å; Y99-F101 HydrophobicContact CD2-CZ 4.26Å; Y99-F101 HydrophobicContact CG-CE1 4.34Å; Y99-F101 AromaticContact CG-CE2 3.85Å; Y99-F101 HydrophobicContact CG-CE2 3.85Å; Y99-F101 AromaticContact CG-CZ 3.5Å; Y99-F101 HydrophobicContact CG-CZ 3.5Å; Y99-F101 VanDerWaalsContact CG-CZ 3.5Å; Y99-R177 PolarHBondContact O-NH2 3.08Å
100A92.9Very high88.1Confident0 Ų026.7 Ų26.70%014%0.137CC..EExtended strand (participates in β ladder)trans-135.1108170.200000108.5L78 D79 L94 L162L78-A100 WeakPolarHBondContact CA-O 3.47Å; L78-A100 HydrophobicContact CD1-CB 4.44Å; D79-A100 PolarHBondContact N-O 3.37Å; L94-A100 HydrophobicContact CD2-CB 3.61Å; L94-A100 HydrophobicContact CG-CB 3.95Å; A100-L162 HydrophobicContact CB-CD1 4.09Å; A100-L162 HydrophobicContact CB-CD2 4.03Å
101F93Very high87.7Confident9 Ų931.5 Ų31.54%0.03916%0.16CC..EExtended strand (participates in β ladder)trans-112.5137.9-175.3-56.1-61.4000111.5V36 R39 D79 F81 V90 L91 Y99V36-F101 HydrophobicContact CG2-CE2 4.17Å; V36-F101 HydrophobicContact CG2-CZ 4.32Å; R39-F101 HydrophobicContact CB-CD2 4.28Å; R39-F101 HydrophobicContact CB-CE2 4.41Å; R39-F101 VanDerWaalsContact CD-CE1 3.48Å; R39-F101 HydrophobicContact CG-CG 4.45Å; D79-F101 HydrophobicContact CB-CD1 3.69Å; D79-F101 HydrophobicContact CB-CE1 3.91Å; D79-F101 CarbonylContact O-C 3.49Å; D79-F101 VanDerWaalsContact O-CA 3.32Å; D79-F101 WeakPolarHBondContact O-CA 3.26Å; D79-F101 VanDerWaalsContact OD2-CD1 3.31Å; D79-F101 WeakPolarHBondContact OD2-CD1 3.42Å; D79-F101 VanDerWaalsContact OD2-CE1 3.28Å; D79-F101 WeakPolarHBondContact OD2-CE1 3.47Å; F81-F101 HydrophobicContact CD1-CB 4.2Å; F81-F101 HydrophobicContact CE1-CB 3.83Å; V90-F101 WeakPolarHBondContact CA-O 3.24Å; L91-F101 HydrophobicContact CB-CB 4.21Å; L91-F101 HydrophobicContact CB-CD2 4.1Å; L91-F101 PolarHBondContact N-O 3.49Å; L91-F101 PolarHBondContact O-N 3.24Å; Y99-F101 HydrophobicContact CD1-CE1 4.28Å; Y99-F101 AromaticContact CD1-CZ 3.73Å; Y99-F101 HydrophobicContact CD1-CZ 3.73Å; Y99-F101 HydrophobicContact CD2-CE2 4.36Å; Y99-F101 HydrophobicContact CD2-CZ 4.26Å; Y99-F101 HydrophobicContact CG-CE1 4.34Å; Y99-F101 AromaticContact CG-CE2 3.85Å; Y99-F101 HydrophobicContact CG-CE2 3.85Å; Y99-F101 AromaticContact CG-CZ 3.5Å; Y99-F101 HydrophobicContact CG-CZ 3.5Å; Y99-F101 VanDerWaalsContact CG-CZ 3.5Å
102I93.8Very high87.3Confident0 Ų032.4 Ų32.40%017%0.167CC..EExtended strand (participates in β ladder)trans-119.6113.5166.8-57.7179.7000108.1L78 D79 I80 F81 L89 V90 L104 E158 I159 L162L78-I102 HydrophobicContact CD1-CD1 3.76Å; L78-I102 HydrophobicContact CD1-CG1 3.93Å; D79-I102 PolarHBondContact O-N 2.99Å; I80-I102 WeakPolarHBondContact CA-O 3.33Å; I80-I102 HydrophobicContact CG1-CB 4.27Å; F81-I102 WeakPolarHBondContact CD1-O 3.37Å; F81-I102 PolarHBondContact N-O 3.48Å; L89-I102 CarbonylContact O-C 3.59Å; L89-I102 WeakPolarHBondContact O-CA 3.43Å; V90-I102 HydrophobicContact CG2-CG1 4.28Å; I102-L104 HydrophobicContact CG2-CD2 3.94Å; I102-L104 HydrophobicContact CG2-CG 4.11Å; I102-E158 HydrophobicContact CD1-CB 3.82Å; I102-E158 HydrophobicContact CG1-CB 4.07Å; I102-E158 HydrophobicContact CG2-CB 3.88Å; I102-E158 HydrophobicContact CG2-CG 4.05Å; I102-I159 HydrophobicContact CD1-CG1 3.88Å; I102-L162 HydrophobicContact CD1-CD1 4.02Å; I102-L162 HydrophobicContact CG1-CD1 3.66Å
103G91Very high86.7Confident0 Ų034.2 Ų34.20%018%0.179CC..EExtended strand (participates in β ladder)trans-91.7122.3172.300000110.1F81 S88 L89F81-G103 VanDerWaalsContact CE1-N 3.26Å; F81-G103 WeakPolarHBondContact O-CA 3.39Å; S88-G103 CarbonylContact C-O 3.49Å; S88-G103 VanDerWaalsContact CA-O 3.24Å; S88-G103 WeakPolarHBondContact CA-O 3.33Å; L89-G103 PolarHBondContact N-O 3.44Å; L89-G103 PolarHBondContact O-N 3.38Å
104L91.7Very high85.8Confident0 Ų039.3 Ų39.30%022%0.215CC..EExtended strand (participates in β ladder)trans-112.8140.6176.1-63176.8000110.3I57 I80 F81 L82 T83 I102 Y106 F108 L151 L154 I155I57-L104 HydrophobicContact CD1-CD1 4.48Å; I57-L104 HydrophobicContact CG2-CD1 3.89Å; I80-L104 HydrophobicContact CG2-CD1 4.03Å; I80-L104 HydrophobicContact CG2-CG 4.44Å; F81-L104 PolarHBondContact O-N 2.94Å; L82-L104 CarbonylContact C-O 3.5Å; L82-L104 VanDerWaalsContact CA-O 3.28Å; L82-L104 WeakPolarHBondContact CA-O 3.4Å; T83-L104 WeakPolarHBondContact CG2-O 3.46Å; T83-L104 PolarHBondContact N-O 3.12Å; I102-L104 HydrophobicContact CG2-CD2 3.94Å; I102-L104 HydrophobicContact CG2-CG 4.11Å; L104-Y106 PolarHBondContact O-N 2.92Å; L104-F108 HydrophobicContact CB-CD2 4.41Å; L104-L151 HydrophobicContact CD1-CD1 4.3Å; L104-L154 HydrophobicContact CD2-CD2 3.86Å; L104-L154 HydrophobicContact CD2-CG 4.3Å; L104-I155 HydrophobicContact CD1-CD1 4.28Å; L104-I155 HydrophobicContact CD1-CG1 4.16Å
105P88.4Confident85.1Confident0 Ų043.6 Ų43.60%024%0.235CC..EExtended strand (participates in β ladder)trans-48.7130.8170.2-2832.8000111.7T83 I85 F107 F108T83-P105 WeakPolarHBondContact O-CA 3.45Å; I85-P105 WeakPolarHBondContact O-CB 3.37Å; I85-P105 WeakPolarHBondContact O-CG 3.36Å; P105-F107 HydrophobicContact CB-CD1 4.09Å; P105-F107 HydrophobicContact CB-CD2 4.39Å; P105-F107 HydrophobicContact CB-CE1 3.64Å; P105-F107 HydrophobicContact CB-CE2 3.97Å; P105-F107 HydrophobicContact CB-CG 4.44Å; P105-F107 HydrophobicContact CB-CZ 3.58Å; P105-F107 HydrophobicContact CG-CZ 4.32Å; P105-F107 PolarHBondContact O-N 2.69Å; P105-F108 HydrophobicContact CB-CD1 4.42Å; P105-F108 HydrophobicContact CB-CD2 4.12Å; P105-F108 HydrophobicContact CB-CE1 4.46Å; P105-F108 HydrophobicContact CB-CE2 4.12Å; P105-F108 HydrophobicContact CB-CG 4.25Å; P105-F108 HydrophobicContact CB-CZ 4.3Å; P105-F108 VanDerWaalsContact CD-CE2 3.45Å; P105-F108 HydrophobicContact CG-CD2 3.94Å; P105-F108 HydrophobicContact CG-CE1 4.49Å; P105-F108 HydrophobicContact CG-CE2 3.54Å; P105-F108 HydrophobicContact CG-CZ 3.86Å; P105-F108 WeakPolarHBondContact O-CB 3.19Å; P105-F108 PolarHBondContact O-N 3.48Å
106Y84.9Confident84.6Confident48 Ų4838.2 Ų38.219%0.18822%0.215CC..G310 helixtrans-54.3-33.9-173.974.6-86000112.8T83 L104 F108 G109 Y110 L121 M144T83-Y106 PolarHBondContact O-N 2.83Å; L104-Y106 PolarHBondContact O-N 2.92Å; Y106-F108 PolarHBondContact O-N 3.46Å; Y106-G109 PolarHBondContact O-N 3Å; Y106-G109 VanDerWaalsContact O-N 3.14Å; Y106-Y110 HydrophobicContact CD2-CE2 4.29Å; Y106-Y110 HydrophobicContact CE2-CE2 4.18Å; Y106-L121 VanDerWaalsContact OH-CD2 3.3Å; Y106-L121 WeakPolarHBondContact OH-CD2 3.34Å; Y106-M144 HydrophobicContact CE2-CE 4.38Å
107F86Confident84Confident6 Ų639.1 Ų39.13%0.02622%0.222CC..G310 helixtrans-74-10.6-177.957-101.1000114.4D86 P105 G109 Y110 M144 W267 W271D86-F107 HydrophobicContact CB-CE1 4.22Å; D86-F107 HydrophobicContact CB-CZ 4.06Å; P105-F107 HydrophobicContact CB-CD1 4.09Å; P105-F107 HydrophobicContact CB-CD2 4.39Å; P105-F107 HydrophobicContact CB-CE1 3.64Å; P105-F107 HydrophobicContact CB-CE2 3.97Å; P105-F107 HydrophobicContact CB-CG 4.44Å; P105-F107 HydrophobicContact CB-CZ 3.58Å; P105-F107 HydrophobicContact CG-CZ 4.32Å; P105-F107 PolarHBondContact O-N 2.69Å; F107-G109 PolarHBondContact O-N 3.49Å; F107-Y110 HydrophobicContact CB-CD2 3.87Å; F107-Y110 HydrophobicContact CB-CE2 3.89Å; F107-Y110 VanDerWaalsContact O-CD2 3.28Å; F107-Y110 WeakPolarHBondContact O-CD2 3.25Å; F107-Y110 PolarHBondContact O-N 3.46Å; F107-M144 HydrophobicContact CB-CB 4.26Å; F107-M144 HydrophobicContact CB-CE 3.4Å; F107-M144 HydrophobicContact CB-CG 4.41Å; F107-M144 HydrophobicContact CD2-CB 4.29Å; F107-M144 HydrophobicContact CD2-CG 4.48Å; F107-M144 WeakPolarHBondContact CD2-O 3.35Å; F107-M144 HydrophobicContact CG-CB 4.45Å; F107-M144 HydrophobicContact CG-CE 4.12Å; F107-M144 HydrophobicContact CG-CG 4.39Å; F107-W267 HydrophobicContact CE2-CH2 4.15Å; F107-W267 AromaticContact CE2-CZ2 3.86Å; F107-W267 HydrophobicContact CE2-CZ2 3.86Å; F107-W267 HydrophobicContact CZ-CH2 4.48Å; F107-W267 HydrophobicContact CZ-CZ2 4.48Å; F107-W271 HydrophobicContact CE1-CH2 4.37Å; F107-W271 HydrophobicContact CE1-CZ2 4.26Å; F107-W271 HydrophobicContact CE2-CH2 4.5Å; F107-W271 HydrophobicContact CZ-CH2 4.14Å; F107-W271 AromaticContact CZ-CZ2 3.99Å; F107-W271 HydrophobicContact CZ-CZ2 3.99Å
108F87.7Confident83.7Confident0 Ų036.6 Ų36.60%020%0.202CC..G310 helixtrans-68.6-11.1168.3-67.8-13.4000112.9R56 L104 P105 Y106 Y110 L146 L151 L154 Y264 W267R56-F108 PolarHBondContact NH1-O 3.21Å; L104-F108 HydrophobicContact CB-CD2 4.41Å; P105-F108 HydrophobicContact CB-CD1 4.42Å; P105-F108 HydrophobicContact CB-CD2 4.12Å; P105-F108 HydrophobicContact CB-CE1 4.46Å; P105-F108 HydrophobicContact CB-CE2 4.12Å; P105-F108 HydrophobicContact CB-CG 4.25Å; P105-F108 HydrophobicContact CB-CZ 4.3Å; P105-F108 VanDerWaalsContact CD-CE2 3.45Å; P105-F108 HydrophobicContact CG-CD2 3.94Å; P105-F108 HydrophobicContact CG-CE1 4.49Å; P105-F108 HydrophobicContact CG-CE2 3.54Å; P105-F108 HydrophobicContact CG-CZ 3.86Å; P105-F108 WeakPolarHBondContact O-CB 3.19Å; P105-F108 PolarHBondContact O-N 3.48Å; Y106-F108 PolarHBondContact O-N 3.46Å; F108-Y110 VanDerWaalsContact C-N 3.29Å; F108-Y110 PolarHBondContact O-N 2.89Å; F108-L146 HydrophobicContact CD1-CB 3.75Å; F108-L146 HydrophobicContact CD1-CD2 4Å; F108-L146 HydrophobicContact CD1-CG 4.44Å; F108-L146 HydrophobicContact CD2-CD2 4.12Å; F108-L146 HydrophobicContact CE1-CB 3.87Å; F108-L146 HydrophobicContact CE1-CD1 4.41Å; F108-L146 HydrophobicContact CE1-CD2 3.83Å; F108-L146 HydrophobicContact CE1-CG 4.25Å; F108-L146 HydrophobicContact CE2-CD2 3.99Å; F108-L146 HydrophobicContact CG-CB 4.46Å; F108-L146 HydrophobicContact CG-CD2 4.14Å; F108-L146 HydrophobicContact CZ-CD2 3.84Å; F108-L151 HydrophobicContact CB-CD1 4.42Å; F108-L151 HydrophobicContact CD2-CD1 4.31Å; F108-L154 HydrophobicContact CD2-CD2 3.88Å; F108-L154 HydrophobicContact CE2-CD2 3.37Å; F108-L154 HydrophobicContact CZ-CD2 4.33Å; F108-Y264 HydrophobicContact CZ-CE2 4.47Å; F108-W267 AromaticContact CE1-CH2 3.49Å; F108-W267 HydrophobicContact CE1-CH2 3.49Å; F108-W267 VanDerWaalsContact CE1-CH2 3.49Å; F108-W267 AromaticContact CE1-CZ2 3.64Å; F108-W267 HydrophobicContact CE1-CZ2 3.64Å; F108-W267 HydrophobicContact CE1-CZ3 4.07Å; F108-W267 AromaticContact CZ-CH2 3.48Å; F108-W267 HydrophobicContact CZ-CH2 3.48Å; F108-W267 VanDerWaalsContact CZ-CH2 3.48Å; F108-W267 HydrophobicContact CZ-CZ2 4.13Å; F108-W267 AromaticContact CZ-CZ3 3.72Å; F108-W267 HydrophobicContact CZ-CZ3 3.72Å
109G83.3Confident82.8Confident12 Ų1242.9 Ų42.912%0.12423%0.228CC..G310 helixtrans-66.8-26.9173.100000114.2S54 Y106 F107S54-G109 WeakPolarHBondContact OG-CA 3.4Å; S54-G109 PolarHBondContact OG-O 2.94Å; S54-G109 VanDerWaalsContact OG-O 3.06Å; Y106-G109 PolarHBondContact O-N 3Å; Y106-G109 VanDerWaalsContact O-N 3.14Å; F107-G109 PolarHBondContact O-N 3.49Å
110Y83.5Confident81.6Confident43 Ų4340.3 Ų40.317%0.16923%0.228CC..  trans-81.9132.9-173.3-55.4-57.8000112.3R56 Y106 F107 F108 E115 I116 M144R56-Y110 PolarHBondContact NH1-O 2.84Å; Y106-Y110 HydrophobicContact CD2-CE2 4.29Å; Y106-Y110 HydrophobicContact CE2-CE2 4.18Å; F107-Y110 HydrophobicContact CB-CD2 3.87Å; F107-Y110 HydrophobicContact CB-CE2 3.89Å; F107-Y110 VanDerWaalsContact O-CD2 3.28Å; F107-Y110 WeakPolarHBondContact O-CD2 3.25Å; F107-Y110 PolarHBondContact O-N 3.46Å; F108-Y110 VanDerWaalsContact C-N 3.29Å; F108-Y110 PolarHBondContact O-N 2.89Å; Y110-E115 HydrophobicContact CD1-CB 3.94Å; Y110-I116 HydrophobicContact CD1-CG1 4.27Å; Y110-I116 HydrophobicContact CD2-CB 4.48Å; Y110-I116 HydrophobicContact CD2-CD1 4.23Å; Y110-I116 HydrophobicContact CD2-CG1 3.67Å; Y110-I116 HydrophobicContact CE2-CB 4.44Å; Y110-I116 HydrophobicContact CE2-CG1 4.1Å; Y110-I116 HydrophobicContact CE2-CG2 4.11Å; Y110-I116 HydrophobicContact CG-CG1 3.77Å; Y110-M144 HydrophobicContact CD2-CE 4.43Å; Y110-M144 HydrophobicContact CE2-CE 4.1Å
111E81.3Confident80.5Confident102 Ų10240.9 Ų40.948%0.47723%0.231SC..SBendtrans-88.4-30.1173.7-68-172173.700112.3R56 E115 N145R56-E111 HydrophobicContact CB-CG 4.42Å; R56-E111 WeakPolarHBondContact CB-OE1 3.49Å; R56-E111 HydrophobicContact CG-CG 4.07Å; R56-E111 WeakPolarHBondContact CG-OE1 3.48Å; E111-E115 PolarHBondContact N-OE2 2.92Å; E111-N145 PolarHBondContact O-ND2 3.39Å; E111-N145 PolarHBondContact O-OD1 3.13Å
112S79.2Confident79.3Confident32 Ų3242 Ų4222%0.22424%0.238CC..SBendtrans-136.8149.9-175.767.20000112S114 E115S112-S114 WeakPolarHBondContact CB-OG 3.3Å; S112-S114 PolarHBondContact O-N 3.32Å; S112-S114 PolarHBondContact OG-OG 2.79Å; S112-E115 PolarHBondContact N-OE1 3.39Å; S112-E115 PolarHBondContact O-N 2.96Å; S112-E115 VanDerWaalsContact O-N 3.08Å; S112-E115 WeakPolarHBondContact OG-CG 3.44Å; S112-E115 PolarHBondContact OG-OE1 3.17Å
113S77.8Confident78.2Confident37 Ų3742.9 Ų42.926%0.25924%0.242SC..G310 helixtrans-58.8-21176.1-51.10000112.8D142S113-D142 PolarHBondContact OG-OD1 3.03Å
114S73.7Confident77.1Confident108 Ų10846.6 Ų46.676%0.75526%0.256SS*.G310 helixtrans-74.9-22.8176.7350000115S112 I116S112-S114 WeakPolarHBondContact CB-OG 3.3Å; S112-S114 PolarHBondContact O-N 3.32Å; S112-S114 PolarHBondContact OG-OG 2.79Å; S114-I116 VanDerWaalsContact C-N 3.27Å
115E76.6Confident75.9Confident93 Ų9351.8 Ų51.844%0.43528%0.276SS..G310 helixtrans-79.7-13.9177.1-74.4154.3-134.700112.7Y110 E111 S112 S117Y110-E115 HydrophobicContact CD1-CB 3.94Å; E111-E115 PolarHBondContact N-OE2 2.92Å; S112-E115 PolarHBondContact N-OE1 3.39Å; S112-E115 PolarHBondContact O-N 2.96Å; S112-E115 VanDerWaalsContact O-N 3.08Å; S112-E115 WeakPolarHBondContact OG-CG 3.44Å; S112-E115 PolarHBondContact OG-OE1 3.17Å; E115-S117 PolarHBondContact O-N 3.4Å
116I76.9Confident74.8Confident8 Ų852 Ų524%0.04128%0.277CS..SBendtrans-74.7111.4-173.6-53.7-178000109.2Y110 S114 L118 L121 L141 M144Y110-I116 HydrophobicContact CD1-CG1 4.27Å; Y110-I116 HydrophobicContact CD2-CB 4.48Å; Y110-I116 HydrophobicContact CD2-CD1 4.23Å; Y110-I116 HydrophobicContact CD2-CG1 3.67Å; Y110-I116 HydrophobicContact CE2-CB 4.44Å; Y110-I116 HydrophobicContact CE2-CG1 4.1Å; Y110-I116 HydrophobicContact CE2-CG2 4.11Å; Y110-I116 HydrophobicContact CG-CG1 3.77Å; S114-I116 VanDerWaalsContact C-N 3.27Å; I116-L118 PolarHBondContact O-N 3.26Å; I116-L118 VanDerWaalsContact O-N 3.11Å; I116-L121 HydrophobicContact CG2-CD1 3.41Å; I116-L121 VanDerWaalsContact CG2-CD1 3.41Å; I116-L121 HydrophobicContact CG2-CG 4.26Å; I116-L141 HydrophobicContact CB-CD2 4.18Å; I116-L141 HydrophobicContact CD1-CB 4.42Å; I116-L141 HydrophobicContact CD1-CD2 3.96Å; I116-L141 HydrophobicContact CG2-CD2 3.87Å; I116-M144 HydrophobicContact CD1-CB 3.86Å; I116-M144 HydrophobicContact CD1-CE 4.27Å; I116-M144 HydrophobicContact CD1-SD 4.29Å; I116-M144 HydrophobicContact CG2-CE 3.88Å; I116-M144 HydrophobicContact CG2-SD 4.41Å
117S71.8Confident74Confident56 Ų5651.2 Ų51.239%0.39227%0.274SS..  trans-63.6114173.11770000110.5E115 D119 S120E115-S117 PolarHBondContact O-N 3.4Å; S117-D119 PolarHBondContact O-N 2.86Å; S117-S120 PolarHBondContact O-N 3.4Å; S117-S120 PolarHBondContact O-OG 3.38Å
118L75.2Confident73.5Confident64 Ų6450.9 Ų50.934%0.33527%0.273SS..G310 helixtrans-65.2-26.4-179.6-59.8-178.7000112.3I116 S120 L121 F123 P132 F133 L141I116-L118 PolarHBondContact O-N 3.26Å; I116-L118 VanDerWaalsContact O-N 3.11Å; L118-S120 VanDerWaalsContact C-N 3.28Å; L118-S120 PolarHBondContact O-N 3Å; L118-L121 PolarHBondContact O-N 2.86Å; L118-F123 HydrophobicContact CD2-CE2 4.1Å; L118-P132 HydrophobicContact CD1-CB 4.1Å; L118-P132 HydrophobicContact CD1-CG 4.06Å; L118-P132 HydrophobicContact CD2-CB 3.77Å; L118-P132 HydrophobicContact CD2-CG 4.48Å; L118-P132 HydrophobicContact CG-CB 4.49Å; L118-F133 HydrophobicContact CD1-CZ 4.16Å; L118-L141 HydrophobicContact CD2-CD1 4.22Å; L118-L141 HydrophobicContact CD2-CD2 4.22Å
119D63.4Low72.8Confident159 Ų15951.2 Ų51.285%0.8528%0.275SS*.G310 helixtrans-68.1-29.5-177.7-61.9-24.8000112.4S117 L121S117-D119 PolarHBondContact O-N 2.86Å; D119-L121 VanDerWaalsContact C-N 3.31Å
120S61.4Low72.6Confident69 Ų6951.5 Ų51.548%0.48327%0.272SS..G310 helixtrans-81.7-12.3179.270.70000113.4S117 L118S117-S120 PolarHBondContact O-N 3.4Å; S117-S120 PolarHBondContact O-OG 3.38Å; L118-S120 VanDerWaalsContact C-N 3.28Å; L118-S120 PolarHBondContact O-N 3Å
121L69.6Low72.3Confident12 Ų1249.9 Ų49.96%0.06327%0.269CS..SBendtrans-96.9131.7-174.4-72.1178.9000111.6Y106 I116 L118 D119 F123 L141 M144Y106-L121 VanDerWaalsContact OH-CD2 3.3Å; Y106-L121 WeakPolarHBondContact OH-CD2 3.34Å; I116-L121 HydrophobicContact CG2-CD1 3.41Å; I116-L121 VanDerWaalsContact CG2-CD1 3.41Å; I116-L121 HydrophobicContact CG2-CG 4.26Å; L118-L121 PolarHBondContact O-N 2.86Å; D119-L121 VanDerWaalsContact C-N 3.31Å; L121-F123 HydrophobicContact CB-CD2 3.51Å; L121-F123 HydrophobicContact CB-CE2 3.39Å; L121-F123 HydrophobicContact CB-CZ 4.4Å; L121-F123 HydrophobicContact CD1-CD2 4.43Å; L121-F123 HydrophobicContact CD1-CE2 3.46Å; L121-F123 VanDerWaalsContact CD1-CE2 3.46Å; L121-F123 HydrophobicContact CD1-CZ 3.98Å; L121-F123 HydrophobicContact CG-CE2 4.09Å; L121-F123 PolarHBondContact O-N 2.96Å; L121-L141 HydrophobicContact CD1-CD2 3.63Å; L121-M144 HydrophobicContact CD1-CE 4.09Å; L121-M144 HydrophobicContact CD1-SD 3.81Å; L121-M144 HydrophobicContact CD2-CE 3.69Å; L121-M144 HydrophobicContact CD2-SD 3.88Å; L121-M144 HydrophobicContact CG-CE 4.44Å
122D68.8Low72.2Confident33 Ų3345.6 Ų45.618%0.17625%0.249CC..  trans-69.765.4174.2-88-22.7000111.7R125 Y127 R140 N350D122-R125 HydrophobicContact CB-CG 3.67Å; D122-R125 IonicContact OD1-CZ 2.72Å; D122-R125 VanDerWaalsContact OD1-CZ 3.3Å; D122-R125 IonicContact OD1-NE 3.15Å; D122-R125 PolarHBondContact OD1-NE 3.32Å; D122-R125 IonicContact OD1-NH2 3.34Å; D122-R125 PolarHBondContact OD1-NH2 2.99Å; D122-Y127 WeakPolarHBondContact CB-OH 3.36Å; D122-Y127 PolarHBondContact OD2-OH 3.46Å; D122-R140 PolarHBondContact O-NH1 3.29Å; D122-N350 PolarHBondContact OD2-ND2 3.36Å
123F70.7Confident72.3Confident18 Ų1848.3 Ų48.38%0.07926%0.257CS..  trans-80.8158.4163.3-69.3-75.8000110L118 L121 R125 F128 Y130 P132 L141L118-F123 HydrophobicContact CD2-CE2 4.1Å; L121-F123 HydrophobicContact CB-CD2 3.51Å; L121-F123 HydrophobicContact CB-CE2 3.39Å; L121-F123 HydrophobicContact CB-CZ 4.4Å; L121-F123 HydrophobicContact CD1-CD2 4.43Å; L121-F123 HydrophobicContact CD1-CE2 3.46Å; L121-F123 VanDerWaalsContact CD1-CE2 3.46Å; L121-F123 HydrophobicContact CD1-CZ 3.98Å; L121-F123 HydrophobicContact CG-CE2 4.09Å; L121-F123 PolarHBondContact O-N 2.96Å; F123-R125 PolarHBondContact O-N 3.5Å; F123-R125 VanDerWaalsContact O-N 3.11Å; F123-F128 AromaticContact CD1-CD1 4Å; F123-F128 HydrophobicContact CD1-CD1 4Å; F123-F128 AromaticContact CD1-CE1 3.6Å; F123-F128 HydrophobicContact CD1-CE1 3.6Å; F123-F128 HydrophobicContact CE1-CD1 4.47Å; F123-F128 AromaticContact CE1-CE1 3.71Å; F123-F128 HydrophobicContact CE1-CE1 3.71Å; F123-Y130 WeakPolarHBondContact CD1-O 3.35Å; F123-P132 HydrophobicContact CD1-CB 4.3Å; F123-P132 HydrophobicContact CD2-CB 4.17Å; F123-P132 HydrophobicContact CE1-CB 4.06Å; F123-P132 HydrophobicContact CE2-CB 3.87Å; F123-P132 HydrophobicContact CG-CB 4.38Å; F123-P132 HydrophobicContact CZ-CB 3.83Å; F123-L141 HydrophobicContact CE2-CD2 4.37Å; F123-L141 HydrophobicContact CZ-CD1 4.47Å; F123-L141 HydrophobicContact CZ-CD2 3.97Å; F123-L141 HydrophobicContact CZ-CG 4.11Å
124Y66.7Low72.6Confident79 Ų7946.9 Ų46.931%0.3125%0.247SC..SBendtrans55.727.3-179.5-50.1-72.1000114.9F128 Y130 G131 P326 L333 Q341Y124-F128 PolarHBondContact N-O 3.23Å; Y124-Y130 PolarHBondContact N-O 2.96Å; Y124-G131 VanDerWaalsContact OH-CA 3.22Å; Y124-G131 WeakPolarHBondContact OH-CA 3.44Å; Y124-P326 HydrophobicContact CE2-CG 4.48Å; Y124-P326 WeakPolarHBondContact OH-CG 3.47Å; Y124-L333 HydrophobicContact CD1-CD1 3.93Å; Y124-Q341 PolarHBondContact O-NE2 3.21Å; Y124-Q341 PolarHBondContact O-OE1 3.23Å
125R67.6Low73.3Confident108 Ų10848.4 Ų48.441%0.40824%0.241SC..BIsolated β-bridgetrans-88.4158.1173.4-66.7-58.4-166.7-179.1-2.9110.8D122 F123 Y127 F128 P129D122-R125 HydrophobicContact CB-CG 3.67Å; D122-R125 IonicContact OD1-CZ 2.72Å; D122-R125 VanDerWaalsContact OD1-CZ 3.3Å; D122-R125 IonicContact OD1-NE 3.15Å; D122-R125 PolarHBondContact OD1-NE 3.32Å; D122-R125 IonicContact OD1-NH2 3.34Å; D122-R125 PolarHBondContact OD1-NH2 2.99Å; F123-R125 PolarHBondContact O-N 3.5Å; F123-R125 VanDerWaalsContact O-N 3.11Å; R125-Y127 HydrophobicContact CB-CD1 3.84Å; R125-Y127 HydrophobicContact CB-CE1 3.61Å; R125-Y127 HydrophobicContact CB-CE2 4.31Å; R125-Y127 HydrophobicContact CB-CG 4.33Å; R125-Y127 HydrophobicContact CG-CE1 3.93Å; R125-Y127 PolarHBondContact O-N 3Å; R125-Y127 VanDerWaalsContact O-N 3.07Å; R125-F128 PolarHBondContact N-O 2.92Å; R125-F128 VanDerWaalsContact N-O 3.07Å; R125-F128 CarbonylContact O-C 3.45Å; R125-F128 PolarHBondContact O-N 3.37Å; R125-P129 WeakPolarHBondContact O-CA 3.37Å; R125-P129 VanDerWaalsContact O-N 3.07Å
126P64.9Low73.8Confident4 Ų445.5 Ų45.53%0.02623%0.227CC..THydrogen-bonded Turntrans-53-35.5176.8-31.338.5000114.6F282 I338 Q341 L342P126-F282 HydrophobicContact CB-CE2 4.07Å; P126-F282 WeakPolarHBondContact O-CD2 3.35Å; P126-F282 WeakPolarHBondContact O-CE2 3.28Å; P126-I338 HydrophobicContact CB-CG2 4.08Å; P126-Q341 VanDerWaalsContact CD-OE1 3.27Å; P126-Q341 HydrophobicContact CG-CB 3.53Å; P126-L342 HydrophobicContact CB-CD2 3.67Å; P126-L342 HydrophobicContact CB-CG 3.8Å; P126-L342 HydrophobicContact CG-CD2 4.23Å; P126-L342 HydrophobicContact CG-CG 4.2Å
127Y68.1Low74.2Confident32 Ų3245.1 Ų45.113%0.12523%0.226CC..THydrogen-bonded Turntrans-88.9-16.2-179.665.7-102.4000113.2D122 R125 W275 L354D122-Y127 WeakPolarHBondContact CB-OH 3.36Å; D122-Y127 PolarHBondContact OD2-OH 3.46Å; R125-Y127 HydrophobicContact CB-CD1 3.84Å; R125-Y127 HydrophobicContact CB-CE1 3.61Å; R125-Y127 HydrophobicContact CB-CE2 4.31Å; R125-Y127 HydrophobicContact CB-CG 4.33Å; R125-Y127 HydrophobicContact CG-CE1 3.93Å; R125-Y127 PolarHBondContact O-N 3Å; R125-Y127 VanDerWaalsContact O-N 3.07Å; Y127-W275 HydrophobicContact CD2-CZ3 4.45Å; Y127-W275 HydrophobicContact CE2-CZ3 4.47Å; Y127-L354 HydrophobicContact CD1-CD1 4.4Å; Y127-L354 HydrophobicContact CD2-CD1 3.21Å; Y127-L354 HydrophobicContact CE1-CD1 4.32Å; Y127-L354 HydrophobicContact CE2-CD1 3.1Å; Y127-L354 HydrophobicContact CG-CD1 3.87Å
128F75Confident74.9Confident0 Ų047.6 Ų47.60%023%0.229CC..BIsolated β-bridgetrans-139.976.2175-163.8-98.6000109.8F123 Y124 R125 Y130 I136 R140 F274 W275 R278F123-F128 AromaticContact CD1-CD1 4Å; F123-F128 HydrophobicContact CD1-CD1 4Å; F123-F128 AromaticContact CD1-CE1 3.6Å; F123-F128 HydrophobicContact CD1-CE1 3.6Å; F123-F128 HydrophobicContact CE1-CD1 4.47Å; F123-F128 AromaticContact CE1-CE1 3.71Å; F123-F128 HydrophobicContact CE1-CE1 3.71Å; Y124-F128 PolarHBondContact N-O 3.23Å; R125-F128 PolarHBondContact N-O 2.92Å; R125-F128 VanDerWaalsContact N-O 3.07Å; R125-F128 CarbonylContact O-C 3.45Å; R125-F128 PolarHBondContact O-N 3.37Å; F128-Y130 HydrophobicContact CD2-CD2 4.2Å; F128-Y130 HydrophobicContact CE2-CD2 4.02Å; F128-Y130 HydrophobicContact CZ-CD2 4.2Å; F128-Y130 PolarHBondContact O-N 3.49Å; F128-I136 HydrophobicContact CE2-CG2 3.88Å; F128-I136 HydrophobicContact CZ-CG2 3.8Å; F128-R140 VanDerWaalsContact CD1-NH1 3.28Å; F128-R140 HydrophobicContact CZ-CB 4.07Å; F128-R140 HydrophobicContact CZ-CG 4.45Å; F128-F274 AromaticContact CE2-CE1 3.81Å; F128-F274 HydrophobicContact CE2-CE1 3.81Å; F128-F274 AromaticContact CE2-CZ 3.51Å; F128-F274 HydrophobicContact CE2-CZ 3.51Å; F128-F274 HydrophobicContact CZ-CE1 4.44Å; F128-F274 AromaticContact CZ-CZ 3.89Å; F128-F274 HydrophobicContact CZ-CZ 3.89Å; F128-W275 HydrophobicContact CD2-CH2 4.39Å; F128-W275 HydrophobicContact CD2-CZ3 4.2Å; F128-R278 HydrophobicContact CD2-CG 4.27Å; F128-R278 HydrophobicContact CE2-CG 4.19Å
129P73.4Confident75.6Confident6 Ų647.9 Ų47.94%0.03923%0.231CC..  trans-85.733.9-169.634.7-34.5000112R125 L333 I338R125-P129 WeakPolarHBondContact O-CA 3.37Å; R125-P129 VanDerWaalsContact O-N 3.07Å; P129-L333 HydrophobicContact CB-CB 3.55Å; P129-L333 PolarHBondContact O-N 3.5Å; P129-L333 VanDerWaalsContact O-N 3.13Å; P129-I338 HydrophobicContact CB-CD1 3.93Å; P129-I338 HydrophobicContact CB-CG1 4.46Å; P129-I338 HydrophobicContact CG-CD1 4.29Å
130Y79.2Confident76.7Confident19 Ų1941 Ų418%0.07519%0.193CC..  trans-115143.1-176.6-62-73.2000108.9F123 Y124 F128 I136 E281 R285 P332F123-Y130 WeakPolarHBondContact CD1-O 3.35Å; Y124-Y130 PolarHBondContact N-O 2.96Å; F128-Y130 HydrophobicContact CD2-CD2 4.2Å; F128-Y130 HydrophobicContact CE2-CD2 4.02Å; F128-Y130 HydrophobicContact CZ-CD2 4.2Å; F128-Y130 PolarHBondContact O-N 3.49Å; Y130-I136 HydrophobicContact CD1-CB 4.06Å; Y130-I136 HydrophobicContact CD1-CD1 3.88Å; Y130-I136 HydrophobicContact CD1-CG2 4.26Å; Y130-I136 HydrophobicContact CD2-CB 4.28Å; Y130-I136 HydrophobicContact CD2-CD1 4.44Å; Y130-I136 HydrophobicContact CD2-CG2 3.57Å; Y130-I136 HydrophobicContact CE1-CB 4.42Å; Y130-I136 HydrophobicContact CE1-CD1 3.36Å; Y130-I136 HydrophobicContact CE1-CG1 4.44Å; Y130-I136 HydrophobicContact CE2-CD1 3.99Å; Y130-I136 HydrophobicContact CE2-CG2 3.97Å; Y130-I136 HydrophobicContact CG-CB 3.99Å; Y130-I136 HydrophobicContact CG-CD1 4.4Å; Y130-I136 HydrophobicContact CG-CG2 3.74Å; Y130-I136 VanDerWaalsContact CZ-CD1 3.42Å; Y130-E281 PolarHBondContact OH-OE2 3.23Å; Y130-R285 PolarHBondContact OH-NH2 3.29Å; Y130-P332 HydrophobicContact CE1-CB 4.18Å
131G77.2Confident78Confident9 Ų938.4 Ų38.49%0.09317%0.174CC..  trans-83.6160172.300000112.4Y124 F133 S134 G137Y124-G131 VanDerWaalsContact OH-CA 3.22Å; Y124-G131 WeakPolarHBondContact OH-CA 3.44Å; G131-F133 PolarHBondContact O-N 2.97Å; G131-S134 WeakPolarHBondContact O-CB 3.48Å; G131-S134 PolarHBondContact O-N 3.39Å; G131-S134 VanDerWaalsContact O-N 3.16Å; G131-S134 PolarHBondContact O-OG 3.09Å; G131-G137 WeakPolarHBondContact O-CA 3.45Å
132P78.5Confident78.9Confident11 Ų1142.4 Ų42.47%0.07120%0.195CC..THydrogen-bonded Turntrans-61.4-27.1-178.323.5-32.9000113.6L118 F123 G137 K138 L141L118-P132 HydrophobicContact CD1-CB 4.1Å; L118-P132 HydrophobicContact CD1-CG 4.06Å; L118-P132 HydrophobicContact CD2-CB 3.77Å; L118-P132 HydrophobicContact CD2-CG 4.48Å; L118-P132 HydrophobicContact CG-CB 4.49Å; F123-P132 HydrophobicContact CD1-CB 4.3Å; F123-P132 HydrophobicContact CD2-CB 4.17Å; F123-P132 HydrophobicContact CE1-CB 4.06Å; F123-P132 HydrophobicContact CE2-CB 3.87Å; F123-P132 HydrophobicContact CG-CB 4.38Å; F123-P132 HydrophobicContact CZ-CB 3.83Å; P132-G137 CarbonylContact O-C 2.95Å; P132-K138 PolarHBondContact O-N 3.06Å; P132-L141 HydrophobicContact CB-CD1 4.49Å
133F82Confident79.9Confident89 Ų8941.7 Ų41.739%0.3919%0.192SC..THydrogen-bonded Turntrans-91.8-7.8-179.3-56.6-72000114.6L118 G131 K138 L325L118-F133 HydrophobicContact CD1-CZ 4.16Å; G131-F133 PolarHBondContact O-N 2.97Å; F133-K138 WeakPolarHBondContact O-CE 3.35Å; F133-L325 HydrophobicContact CD2-CD2 4.03Å; F133-L325 HydrophobicContact CE2-CD2 3.24Å; F133-L325 HydrophobicContact CZ-CD2 3.67Å
134S84.4Confident80.7Confident7 Ų741 Ų415%0.04919%0.188CC..SBendtrans-66.5160.1172.368.20000110.6G131 I136 G137 K138G131-S134 WeakPolarHBondContact O-CB 3.48Å; G131-S134 PolarHBondContact O-N 3.39Å; G131-S134 VanDerWaalsContact O-N 3.16Å; G131-S134 PolarHBondContact O-OG 3.09Å; S134-I136 VanDerWaalsContact C-N 3.26Å; S134-I136 PolarHBondContact O-N 3.3Å; S134-G137 PolarHBondContact O-N 3.01Å; S134-G137 VanDerWaalsContact O-N 3.08Å; S134-G137 PolarHBondContact OG-N 3.44Å; S134-K138 PolarHBondContact O-N 3.45Å
135K87.9Confident81.7Confident141 Ų14139.5 Ų39.561%0.61319%0.186SC*.Hα-helixtrans-54.7-45.7177.1-174.4178.5177.8-178.20111.6G137 K138 D139 D330K135-G137 VanDerWaalsContact C-N 3.34Å; K135-G137 PolarHBondContact O-N 3.46Å; K135-K138 PolarHBondContact O-N 3.43Å; K135-D139 PolarHBondContact O-N 3.45Å; K135-D330 PolarHBondContact N-OD1 2.88Å
136I87.1Confident82.7Confident31 Ų3134.3 Ų34.316%0.15917%0.166CC..Hα-helixtrans-68.4-33.3179.1-68.2166.4000112.1F128 Y130 S134 R140 F274F128-I136 HydrophobicContact CE2-CG2 3.88Å; F128-I136 HydrophobicContact CZ-CG2 3.8Å; Y130-I136 HydrophobicContact CD1-CB 4.06Å; Y130-I136 HydrophobicContact CD1-CD1 3.88Å; Y130-I136 HydrophobicContact CD1-CG2 4.26Å; Y130-I136 HydrophobicContact CD2-CB 4.28Å; Y130-I136 HydrophobicContact CD2-CD1 4.44Å; Y130-I136 HydrophobicContact CD2-CG2 3.57Å; Y130-I136 HydrophobicContact CE1-CB 4.42Å; Y130-I136 HydrophobicContact CE1-CD1 3.36Å; Y130-I136 HydrophobicContact CE1-CG1 4.44Å; Y130-I136 HydrophobicContact CE2-CD1 3.99Å; Y130-I136 HydrophobicContact CE2-CG2 3.97Å; Y130-I136 HydrophobicContact CG-CB 3.99Å; Y130-I136 HydrophobicContact CG-CD1 4.4Å; Y130-I136 HydrophobicContact CG-CG2 3.74Å; Y130-I136 VanDerWaalsContact CZ-CD1 3.42Å; S134-I136 VanDerWaalsContact C-N 3.26Å; S134-I136 PolarHBondContact O-N 3.3Å; I136-R140 PolarHBondContact O-N 3.23Å; I136-R140 VanDerWaalsContact O-N 3.09Å; I136-F274 HydrophobicContact CG2-CE2 4.13Å; I136-F274 HydrophobicContact CG2-CZ 4.13Å
137G85.5Confident84Confident0 Ų036.6 Ų36.60%018%0.181CC..Hα-helixtrans-65.7-44174.100000112.4G131 P132 S134 K135 R140 L141G131-G137 WeakPolarHBondContact O-CA 3.45Å; P132-G137 CarbonylContact O-C 2.95Å; S134-G137 PolarHBondContact O-N 3.01Å; S134-G137 VanDerWaalsContact O-N 3.08Å; S134-G137 PolarHBondContact OG-N 3.44Å; K135-G137 VanDerWaalsContact C-N 3.34Å; K135-G137 PolarHBondContact O-N 3.46Å; G137-R140 WeakPolarHBondContact O-CB 3.41Å; G137-R140 PolarHBondContact O-N 3.49Å; G137-L141 WeakPolarHBondContact O-CG 3.49Å; G137-L141 PolarHBondContact O-N 3.49Å; G137-L141 VanDerWaalsContact O-N 3.12Å
138K87.2Confident85.2Confident109 Ų10937.9 Ų37.947%0.47419%0.188SC..Hα-helixtrans-63.5-44.8174.1-68.4179.3-179.6179.20111.6P132 F133 S134 K135 R140 L141 D142P132-K138 PolarHBondContact O-N 3.06Å; F133-K138 WeakPolarHBondContact O-CE 3.35Å; S134-K138 PolarHBondContact O-N 3.45Å; K135-K138 PolarHBondContact O-N 3.43Å; K138-R140 PolarHBondContact O-N 2.82Å; K138-L141 PolarHBondContact O-N 3.32Å; K138-D142 PolarHBondContact O-N 2.84Å
139D88.5Confident86.1Confident69 Ų6939.9 Ų39.937%0.36920%0.202SC..Hα-helixtrans-56.1-39.3175.5-66.8-18.9000111.7K135 L143 F274K135-D139 PolarHBondContact O-N 3.45Å; D139-L143 WeakPolarHBondContact O-CB 3.33Å; D139-L143 VanDerWaalsContact O-CG 3.23Å; D139-L143 WeakPolarHBondContact O-CG 3.26Å; D139-L143 PolarHBondContact O-N 2.82Å; D139-F274 HydrophobicContact CB-CE2 4.1Å
140R87.7Confident87.1Confident15 Ų1539.6 Ų39.66%0.05720%0.2CC..Hα-helixtrans-63.2-48.1174.2-176.6179.4170.8179-1.8111.9D122 F128 I136 G137 K138 D142 L143 M144 F274D122-R140 PolarHBondContact O-NH1 3.29Å; F128-R140 VanDerWaalsContact CD1-NH1 3.28Å; F128-R140 HydrophobicContact CZ-CB 4.07Å; F128-R140 HydrophobicContact CZ-CG 4.45Å; I136-R140 PolarHBondContact O-N 3.23Å; I136-R140 VanDerWaalsContact O-N 3.09Å; G137-R140 WeakPolarHBondContact O-CB 3.41Å; G137-R140 PolarHBondContact O-N 3.49Å; K138-R140 PolarHBondContact O-N 2.82Å; R140-D142 VanDerWaalsContact C-N 3.34Å; R140-L143 PolarHBondContact O-N 3.48Å; R140-M144 WeakPolarHBondContact O-CG 3.34Å; R140-M144 PolarHBondContact O-N 2.92Å; R140-F274 HydrophobicContact CB-CE1 4.06Å; R140-F274 HydrophobicContact CB-CE2 4.42Å; R140-F274 HydrophobicContact CB-CZ 3.65Å; R140-F274 HydrophobicContact CG-CE1 4.16Å; R140-F274 HydrophobicContact CG-CZ 4.26Å
141L87.7Confident87.9Confident15 Ų1538.7 Ų38.78%0.07920%0.196CC..Hα-helixtrans-63.4-42-178.5-68.1171.1000111I116 L118 L121 F123 P132 G137 K138 L143 M144I116-L141 HydrophobicContact CB-CD2 4.18Å; I116-L141 HydrophobicContact CD1-CB 4.42Å; I116-L141 HydrophobicContact CD1-CD2 3.96Å; I116-L141 HydrophobicContact CG2-CD2 3.87Å; L118-L141 HydrophobicContact CD2-CD1 4.22Å; L118-L141 HydrophobicContact CD2-CD2 4.22Å; L121-L141 HydrophobicContact CD1-CD2 3.63Å; F123-L141 HydrophobicContact CE2-CD2 4.37Å; F123-L141 HydrophobicContact CZ-CD1 4.47Å; F123-L141 HydrophobicContact CZ-CD2 3.97Å; F123-L141 HydrophobicContact CZ-CG 4.11Å; P132-L141 HydrophobicContact CB-CD1 4.49Å; G137-L141 WeakPolarHBondContact O-CG 3.49Å; G137-L141 PolarHBondContact O-N 3.49Å; G137-L141 VanDerWaalsContact O-N 3.12Å; K138-L141 PolarHBondContact O-N 3.32Å; L141-L143 VanDerWaalsContact C-N 3.32Å; L141-L143 PolarHBondContact O-N 3.33Å; L141-M144 HydrophobicContact CD2-SD 4.43Å; L141-M144 WeakPolarHBondContact O-CB 3.41Å; L141-M144 PolarHBondContact O-N 3.41Å; L141-M144 VanDerWaalsContact O-N 3.08Å
142D88.4Confident88.8Confident96 Ų9640.2 Ų40.251%0.51320%0.201SC..Hα-helixtrans-66.1-36.9177.7-67-17.6000111.6S113 K138 R140 M144 N145S113-D142 PolarHBondContact OG-OD1 3.03Å; K138-D142 PolarHBondContact O-N 2.84Å; R140-D142 VanDerWaalsContact C-N 3.34Å; D142-M144 VanDerWaalsContact C-N 3.27Å; D142-M144 PolarHBondContact O-N 3.36Å; D142-N145 PolarHBondContact O-N 3.32Å
143L89.3Confident89.6Confident18 Ų1839.7 Ų39.79%0.09420%0.197CC..Hα-helixtrans-71.1-17.7173.3-76.2174.1000113.6D139 R140 L141 N145 W267 R270 W271 F274D139-L143 WeakPolarHBondContact O-CB 3.33Å; D139-L143 VanDerWaalsContact O-CG 3.23Å; D139-L143 WeakPolarHBondContact O-CG 3.26Å; D139-L143 PolarHBondContact O-N 2.82Å; R140-L143 PolarHBondContact O-N 3.48Å; L141-L143 VanDerWaalsContact C-N 3.32Å; L141-L143 PolarHBondContact O-N 3.33Å; L143-N145 VanDerWaalsContact C-N 3.26Å; L143-W267 PolarHBondContact O-NE1 2.78Å; L143-R270 HydrophobicContact CD2-CB 3.88Å; L143-W271 HydrophobicContact CB-CE3 3.82Å; L143-W271 HydrophobicContact CB-CZ3 4.06Å; L143-F274 HydrophobicContact CD1-CB 3.56Å; L143-F274 HydrophobicContact CD1-CD1 4.39Å; L143-F274 HydrophobicContact CD1-CD2 3.76Å; L143-F274 HydrophobicContact CD1-CG 3.65Å
144M87.9Confident90.3Very high2 Ų235.5 Ų35.51%0.0118%0.179CC..Hα-helixtrans-75.2-18.5172.9-73.5174.266.400112.3Y106 F107 Y110 I116 L121 R140 L141 D142 L146 W271Y106-M144 HydrophobicContact CE2-CE 4.38Å; F107-M144 HydrophobicContact CB-CB 4.26Å; F107-M144 HydrophobicContact CB-CE 3.4Å; F107-M144 HydrophobicContact CB-CG 4.41Å; F107-M144 HydrophobicContact CD2-CB 4.29Å; F107-M144 HydrophobicContact CD2-CG 4.48Å; F107-M144 WeakPolarHBondContact CD2-O 3.35Å; F107-M144 HydrophobicContact CG-CB 4.45Å; F107-M144 HydrophobicContact CG-CE 4.12Å; F107-M144 HydrophobicContact CG-CG 4.39Å; Y110-M144 HydrophobicContact CD2-CE 4.43Å; Y110-M144 HydrophobicContact CE2-CE 4.1Å; I116-M144 HydrophobicContact CD1-CB 3.86Å; I116-M144 HydrophobicContact CD1-CE 4.27Å; I116-M144 HydrophobicContact CD1-SD 4.29Å; I116-M144 HydrophobicContact CG2-CE 3.88Å; I116-M144 HydrophobicContact CG2-SD 4.41Å; L121-M144 HydrophobicContact CD1-CE 4.09Å; L121-M144 HydrophobicContact CD1-SD 3.81Å; L121-M144 HydrophobicContact CD2-CE 3.69Å; L121-M144 HydrophobicContact CD2-SD 3.88Å; L121-M144 HydrophobicContact CG-CE 4.44Å; R140-M144 WeakPolarHBondContact O-CG 3.34Å; R140-M144 PolarHBondContact O-N 2.92Å; L141-M144 HydrophobicContact CD2-SD 4.43Å; L141-M144 WeakPolarHBondContact O-CB 3.41Å; L141-M144 PolarHBondContact O-N 3.41Å; L141-M144 VanDerWaalsContact O-N 3.08Å; D142-M144 VanDerWaalsContact C-N 3.27Å; D142-M144 PolarHBondContact O-N 3.36Å; M144-L146 PolarHBondContact O-N 3.14Å; M144-W271 HydrophobicContact CG-CH2 3.97Å; M144-W271 HydrophobicContact CG-CZ3 3.82Å
145N87.6Confident90.8Very high48 Ų4835.1 Ų35.126%0.25718%0.176SC..  trans-83.4116176-168.4-0000111.2E111 D142 L143E111-N145 PolarHBondContact O-ND2 3.39Å; E111-N145 PolarHBondContact O-OD1 3.13Å; D142-N145 PolarHBondContact O-N 3.32Å; L143-N145 VanDerWaalsContact C-N 3.26Å
146L90.2Very high91.2Very high0 Ų028.4 Ų28.40%015%0.147CC..  trans-95.2128.1172.7-171.971.2000109.8R56 F108 M144 A150 L151 L154 Y264 W267R56-L146 PolarHBondContact NH2-O 2.97Å; F108-L146 HydrophobicContact CD1-CB 3.75Å; F108-L146 HydrophobicContact CD1-CD2 4Å; F108-L146 HydrophobicContact CD1-CG 4.44Å; F108-L146 HydrophobicContact CD2-CD2 4.12Å; F108-L146 HydrophobicContact CE1-CB 3.87Å; F108-L146 HydrophobicContact CE1-CD1 4.41Å; F108-L146 HydrophobicContact CE1-CD2 3.83Å; F108-L146 HydrophobicContact CE1-CG 4.25Å; F108-L146 HydrophobicContact CE2-CD2 3.99Å; F108-L146 HydrophobicContact CG-CB 4.46Å; F108-L146 HydrophobicContact CG-CD2 4.14Å; F108-L146 HydrophobicContact CZ-CD2 3.84Å; M144-L146 PolarHBondContact O-N 3.14Å; L146-A150 HydrophobicContact CD1-CB 3.76Å; L146-A150 HydrophobicContact CD2-CB 4.34Å; L146-A150 HydrophobicContact CG-CB 3.88Å; L146-L151 HydrophobicContact CD2-CB 3.94Å; L146-L151 HydrophobicContact CD2-CD1 4.23Å; L146-L154 HydrophobicContact CD2-CD2 4.5Å; L146-Y264 HydrophobicContact CD1-CD2 4.06Å; L146-Y264 HydrophobicContact CD2-CD2 4.2Å; L146-Y264 HydrophobicContact CD2-CE2 4.37Å; L146-W267 HydrophobicContact CD1-CB 4.09Å; L146-W267 HydrophobicContact CD1-CD2 3.5Å; L146-W267 HydrophobicContact CD1-CE3 3.77Å; L146-W267 HydrophobicContact CD1-CG 3.6Å
147P91.9Very high91.5Very high51 Ų5127 Ų2733%0.33114%0.14SC..  trans-56.4146.7174.4-25.734.6000112.8S149 A150 L151P147-S149 VanDerWaalsContact C-N 3.33Å; P147-S149 PolarHBondContact O-N 3Å; P147-A150 HydrophobicContact CB-CB 4.32Å; P147-A150 WeakPolarHBondContact O-CB 3.33Å; P147-A150 PolarHBondContact O-N 2.92Å; P147-L151 PolarHBondContact O-N 3.38Å
148E93Very high92Very high60 Ų6027 Ų2728%0.2814%0.14SC..Hα-helixtrans-59.4-39.8-177.6172.1165162.800113.1R59 I60 A150 L151 K152R59-E148 IonicContact CZ-OE1 2.83Å; R59-E148 IonicContact CZ-OE2 3.32Å; R59-E148 IonicContact NH1-OE1 3.88Å; R59-E148 PolarHBondContact NH1-OE1 2.89Å; R59-E148 IonicContact NH1-OE2 3.8Å; R59-E148 IonicContact NH2-OE1 3.3Å; R59-E148 PolarHBondContact NH2-OE1 3Å; R59-E148 IonicContact NH2-OE2 2.94Å; R59-E148 PolarHBondContact NH2-OE2 2.9Å; I60-E148 HydrophobicContact CD1-CB 4.45Å; I60-E148 HydrophobicContact CD1-CG 3.71Å; I60-E148 HydrophobicContact CG1-CG 4.09Å; E148-A150 VanDerWaalsContact C-N 3.32Å; E148-A150 PolarHBondContact O-N 2.81Å; E148-L151 PolarHBondContact O-N 2.87Å; E148-K152 HydrophobicContact CG-CD 4.31Å; E148-K152 WeakPolarHBondContact O-CG 3.41Å; E148-K152 PolarHBondContact O-N 3.16Å; E148-K152 WeakPolarHBondContact OE1-CE 3.47Å; E148-K152 IonicContact OE1-NZ 2.68Å; E148-K152 PolarHBondContact OE1-NZ 3.33Å; E148-K152 VanDerWaalsContact OE1-NZ 3.08Å
149S94.2Very high92.3Very high41 Ų4121.8 Ų21.829%0.28712%0.117SC..Hα-helixtrans-61.4-38.2174.429.60000112.7P147 K152 F153 G260 Q263P147-S149 VanDerWaalsContact C-N 3.33Å; P147-S149 PolarHBondContact O-N 3Å; S149-K152 PolarHBondContact O-N 3.29Å; S149-F153 PolarHBondContact O-N 2.86Å; S149-F153 VanDerWaalsContact O-N 3.07Å; S149-G260 VanDerWaalsContact O-CA 3.23Å; S149-G260 WeakPolarHBondContact O-CA 3.07Å; S149-Q263 PolarHBondContact OG-OE1 3.45Å
150A94.7Very high92.6Very high0 Ų018.5 Ų18.50%010%0.1CC..Hα-helixtrans-69-39.2175.600000111.8L146 P147 E148 F153 L154 G260 Q263 Y264L146-A150 HydrophobicContact CD1-CB 3.76Å; L146-A150 HydrophobicContact CD2-CB 4.34Å; L146-A150 HydrophobicContact CG-CB 3.88Å; P147-A150 HydrophobicContact CB-CB 4.32Å; P147-A150 WeakPolarHBondContact O-CB 3.33Å; P147-A150 PolarHBondContact O-N 2.92Å; E148-A150 VanDerWaalsContact C-N 3.32Å; E148-A150 PolarHBondContact O-N 2.81Å; A150-F153 PolarHBondContact O-N 2.96Å; A150-L154 WeakPolarHBondContact O-CB 3.31Å; A150-L154 PolarHBondContact O-N 2.88Å; A150-G260 WeakPolarHBondContact CA-O 3.4Å; A150-Q263 HydrophobicContact CB-CB 4.08Å; A150-Y264 HydrophobicContact CB-CD2 4.45Å
151L95Very high92.8Very high0 Ų018.2 Ų18.20%010%0.099CC..Hα-helixtrans-66.2-39.7174.4-175.154.2000112.1I57 I60 L104 F108 L146 P147 E148 L154 I155I57-L151 HydrophobicContact CG1-CD2 4.31Å; I60-L151 HydrophobicContact CD1-CB 4.39Å; I60-L151 HydrophobicContact CD1-CD2 3.61Å; I60-L151 HydrophobicContact CD1-CG 4.1Å; I60-L151 HydrophobicContact CG2-CG 4.46Å; L104-L151 HydrophobicContact CD1-CD1 4.3Å; F108-L151 HydrophobicContact CB-CD1 4.42Å; F108-L151 HydrophobicContact CD2-CD1 4.31Å; L146-L151 HydrophobicContact CD2-CB 3.94Å; L146-L151 HydrophobicContact CD2-CD1 4.23Å; P147-L151 PolarHBondContact O-N 3.38Å; E148-L151 PolarHBondContact O-N 2.87Å; L151-L154 HydrophobicContact CD1-CD2 4.4Å; L151-L154 PolarHBondContact O-N 3.31Å; L151-I155 HydrophobicContact CD1-CD1 3.9Å; L151-I155 HydrophobicContact CD1-CG1 4.19Å; L151-I155 HydrophobicContact CG-CD1 3.93Å; L151-I155 WeakPolarHBondContact O-CG1 3.47Å; L151-I155 PolarHBondContact O-N 3.27Å
152K96.2Very high93.1Very high42 Ų4217.5 Ų17.518%0.18310%0.095CC..Hα-helixtrans-57-49.2172.3-79.8174.5-173.5-174.20111.6I60 E63 V64 E148 S149 A156 F257I60-K152 HydrophobicContact CG2-CB 4.37Å; I60-K152 HydrophobicContact CG2-CG 3.53Å; E63-K152 VanDerWaalsContact CD-CE 3.46Å; E63-K152 WeakPolarHBondContact OE1-CE 3.46Å; E63-K152 IonicContact OE1-NZ 3.27Å; E63-K152 PolarHBondContact OE1-NZ 2.98Å; E63-K152 WeakPolarHBondContact OE2-CE 3.49Å; E63-K152 IonicContact OE2-NZ 3.6Å; E63-K152 PolarHBondContact OE2-NZ 2.99Å; V64-K152 HydrophobicContact CG2-CB 4.21Å; V64-K152 HydrophobicContact CG2-CG 4.21Å; E148-K152 HydrophobicContact CG-CD 4.31Å; E148-K152 WeakPolarHBondContact O-CG 3.41Å; E148-K152 PolarHBondContact O-N 3.16Å; E148-K152 WeakPolarHBondContact OE1-CE 3.47Å; E148-K152 IonicContact OE1-NZ 2.68Å; E148-K152 PolarHBondContact OE1-NZ 3.33Å; E148-K152 VanDerWaalsContact OE1-NZ 3.08Å; S149-K152 PolarHBondContact O-N 3.29Å; K152-A156 WeakPolarHBondContact O-CB 3.4Å; K152-A156 PolarHBondContact O-N 2.95Å; K152-F257 HydrophobicContact CB-CE1 4.46Å
153F96.3Very high93.3Very high0 Ų014.2 Ų14.20%08%0.076CC..Hα-helixtrans-59.5-47.6176.2172.9-93.8000111.8S149 A150 I155 A156 R157 D247 V250 F257 G261 Y264 Y265 L411S149-F153 PolarHBondContact O-N 2.86Å; S149-F153 VanDerWaalsContact O-N 3.07Å; A150-F153 PolarHBondContact O-N 2.96Å; F153-I155 PolarHBondContact O-N 2.91Å; F153-A156 PolarHBondContact O-N 2.97Å; F153-R157 WeakPolarHBondContact O-CB 3.37Å; F153-R157 PolarHBondContact O-N 3.01Å; F153-D247 HydrophobicContact CZ-CB 4.27Å; F153-V250 HydrophobicContact CD2-CB 4.25Å; F153-V250 HydrophobicContact CD2-CG1 3.4Å; F153-V250 HydrophobicContact CE2-CB 3.97Å; F153-V250 HydrophobicContact CE2-CG1 3.64Å; F153-V250 HydrophobicContact CG-CG1 4.31Å; F153-F257 WeakPolarHBondContact CD2-O 3.36Å; F153-G261 VanDerWaalsContact CD1-CA 3.42Å; F153-G261 VanDerWaalsContact CD2-CA 3.48Å; F153-Y264 HydrophobicContact CD1-CD1 4.41Å; F153-Y264 HydrophobicContact CD1-CG 4.31Å; F153-Y264 HydrophobicContact CE1-CD1 4.36Å; F153-Y265 AromaticContact CE1-CE2 3.83Å; F153-Y265 HydrophobicContact CE1-CE2 3.83Å; F153-Y265 AromaticContact CE1-CZ 3.91Å; F153-Y265 AromaticContact CZ-CE2 3.93Å; F153-Y265 HydrophobicContact CZ-CE2 3.93Å; F153-L411 HydrophobicContact CE2-CD1 4.38Å; F153-L411 HydrophobicContact CZ-CD1 4.2Å
154L94.9Very high93.4Very high0 Ų013.5 Ų13.50%07%0.073CC..Hα-helixtrans-58.1-49.9-179.8-179.662.7000112L104 F108 L146 A150 L151 A156 R157 E158 Y264L104-L154 HydrophobicContact CD2-CD2 3.86Å; L104-L154 HydrophobicContact CD2-CG 4.3Å; F108-L154 HydrophobicContact CD2-CD2 3.88Å; F108-L154 HydrophobicContact CE2-CD2 3.37Å; F108-L154 HydrophobicContact CZ-CD2 4.33Å; L146-L154 HydrophobicContact CD2-CD2 4.5Å; A150-L154 WeakPolarHBondContact O-CB 3.31Å; A150-L154 PolarHBondContact O-N 2.88Å; L151-L154 HydrophobicContact CD1-CD2 4.4Å; L151-L154 PolarHBondContact O-N 3.31Å; L154-A156 PolarHBondContact O-N 3.41Å; L154-R157 WeakPolarHBondContact O-CB 3.44Å; L154-R157 PolarHBondContact O-N 3.23Å; L154-E158 WeakPolarHBondContact O-CG 3.42Å; L154-E158 PolarHBondContact O-N 2.9Å; L154-Y264 HydrophobicContact CB-CD2 4.27Å; L154-Y264 HydrophobicContact CB-CE2 4.26Å; L154-Y264 HydrophobicContact CD1-CE1 4.28Å; L154-Y264 HydrophobicContact CD1-CE2 3.88Å; L154-Y264 HydrophobicContact CD2-CE2 3.84Å; L154-Y264 HydrophobicContact CG-CE2 4.21Å
155I95.5Very high93.7Very high0 Ų014.2 Ų14.20%08%0.078CC..Hα-helixtrans-63.3-42.8179.8-68.5164.6000110.6I60 V64 L104 L151 F153 R157 E158 I159I60-I155 HydrophobicContact CB-CD1 4.42Å; I60-I155 HydrophobicContact CG2-CD1 3.73Å; V64-I155 HydrophobicContact CB-CG2 4.19Å; V64-I155 HydrophobicContact CG1-CG2 4.08Å; V64-I155 HydrophobicContact CG2-CB 4.46Å; V64-I155 HydrophobicContact CG2-CG2 4.4Å; L104-I155 HydrophobicContact CD1-CD1 4.28Å; L104-I155 HydrophobicContact CD1-CG1 4.16Å; L151-I155 HydrophobicContact CD1-CD1 3.9Å; L151-I155 HydrophobicContact CD1-CG1 4.19Å; L151-I155 HydrophobicContact CG-CD1 3.93Å; L151-I155 WeakPolarHBondContact O-CG1 3.47Å; L151-I155 PolarHBondContact O-N 3.27Å; F153-I155 PolarHBondContact O-N 2.91Å; I155-R157 VanDerWaalsContact C-N 3.3Å; I155-R157 PolarHBondContact O-N 3.22Å; I155-E158 PolarHBondContact O-N 2.69Å; I155-I159 HydrophobicContact CG2-CD1 3.93Å; I155-I159 WeakPolarHBondContact O-CG1 3.36Å; I155-I159 PolarHBondContact O-N 2.68Å
156A96Very high93.9Very high0 Ų011.9 Ų11.90%07%0.065CC..Hα-helixtrans-60.3-42.217700000111.7V64 F68 K152 F153 L154 I159 V160 V250 F257V64-A156 HydrophobicContact CG1-CB 3.65Å; F68-A156 HydrophobicContact CE2-CB 4.17Å; F68-A156 HydrophobicContact CZ-CB 4.17Å; K152-A156 WeakPolarHBondContact O-CB 3.4Å; K152-A156 PolarHBondContact O-N 2.95Å; F153-A156 PolarHBondContact O-N 2.97Å; L154-A156 PolarHBondContact O-N 3.41Å; A156-I159 PolarHBondContact O-N 3.4Å; A156-V160 WeakPolarHBondContact O-CG2 3.44Å; A156-V160 PolarHBondContact O-N 2.9Å; A156-V250 HydrophobicContact CB-CG1 3.73Å; A156-V250 HydrophobicContact CB-CG2 4.12Å; A156-F257 HydrophobicContact CB-CD1 4.05Å; A156-F257 HydrophobicContact CB-CE1 3.67Å
157R94.9Very high94Very high0 Ų015.3 Ų15.30%09%0.086CC..Hα-helixtrans-62-43.6177-169.6-169.881.1173.9-3.2112.1S88 F153 L154 I155 V160 R161 A246 D247 V250 Y265 D370 R407S88-R157 PolarHBondContact OG-NH2 3.05Å; F153-R157 WeakPolarHBondContact O-CB 3.37Å; F153-R157 PolarHBondContact O-N 3.01Å; L154-R157 WeakPolarHBondContact O-CB 3.44Å; L154-R157 PolarHBondContact O-N 3.23Å; I155-R157 VanDerWaalsContact C-N 3.3Å; I155-R157 PolarHBondContact O-N 3.22Å; R157-V160 PolarHBondContact O-N 3.01Å; R157-R161 WeakPolarHBondContact O-CG 3.29Å; R157-R161 PolarHBondContact O-N 2.98Å; R157-A246 HydrophobicContact CG-CB 4.31Å; R157-D247 VanDerWaalsContact CD-OD1 3.24Å; R157-D247 WeakPolarHBondContact CD-OD1 3.29Å; R157-V250 VanDerWaalsContact CA-CG2 3.49Å; R157-V250 HydrophobicContact CB-CG2 4.02Å; R157-Y265 PolarHBondContact NH1-OH 2.83Å; R157-Y265 VanDerWaalsContact NH1-OH 3.15Å; R157-D370 IonicContact CZ-OD2 3.25Å; R157-D370 IonicContact NH1-OD2 3.68Å; R157-D370 PolarHBondContact NH1-OD2 3.3Å; R157-D370 IonicContact NH2-OD2 2.79Å; R157-D370 PolarHBondContact NH2-OD2 3.2Å; R157-R407 VanDerWaalsContact NH1-NH1 3.19Å
158E94.1Very high93.8Very high0 Ų015.5 Ų15.50%09%0.087CC..Hα-helixtrans-67.5-37177-68.2-27.7111.700112.2S88 V90 I102 L154 I155 V160 R161 L162S88-E158 PolarHBondContact OG-OE1 2.91Å; V90-E158 HydrophobicContact CG2-CB 3.4Å; V90-E158 VanDerWaalsContact CG2-CB 3.4Å; V90-E158 HydrophobicContact CG2-CG 3.64Å; V90-E158 WeakPolarHBondContact CG2-OE2 3.48Å; I102-E158 HydrophobicContact CD1-CB 3.82Å; I102-E158 HydrophobicContact CG1-CB 4.07Å; I102-E158 HydrophobicContact CG2-CB 3.88Å; I102-E158 HydrophobicContact CG2-CG 4.05Å; L154-E158 WeakPolarHBondContact O-CG 3.42Å; L154-E158 PolarHBondContact O-N 2.9Å; I155-E158 PolarHBondContact O-N 2.69Å; E158-V160 PolarHBondContact O-N 3.27Å; E158-R161 PolarHBondContact O-N 3.43Å; E158-R161 IonicContact OE1-NH1 2.72Å; E158-R161 WeakPolarHBondContact OE2-CD 3.43Å; E158-R161 IonicContact OE2-CZ 2.69Å; E158-R161 IonicContact OE2-NE 2.98Å; E158-R161 IonicContact OE2-NH1 3.65Å; E158-R161 PolarHBondContact OE2-NH1 3.37Å; E158-L162 PolarHBondContact O-N 3.02Å
159I94.8Very high93.7Very high0 Ų018.3 Ų18.30%010%0.103CC..Hα-helixtrans-62.6-42.4172-68.7167000111.1V64 F68 M70 L78 L94 I102 I155 A156 R161 L162 Q163 G164V64-I159 HydrophobicContact CG1-CD1 3.79Å; F68-I159 HydrophobicContact CD1-CG2 3.69Å; F68-I159 HydrophobicContact CD2-CD1 4.44Å; F68-I159 HydrophobicContact CD2-CG2 4.02Å; F68-I159 HydrophobicContact CE1-CB 4.36Å; F68-I159 HydrophobicContact CE1-CG2 3.71Å; F68-I159 HydrophobicContact CE2-CB 4.31Å; F68-I159 HydrophobicContact CE2-CD1 4.32Å; F68-I159 HydrophobicContact CE2-CG2 4.05Å; F68-I159 HydrophobicContact CG-CG2 3.86Å; F68-I159 HydrophobicContact CZ-CB 4.14Å; F68-I159 HydrophobicContact CZ-CG2 3.89Å; M70-I159 HydrophobicContact SD-CG2 4.15Å; L78-I159 HydrophobicContact CD2-CD1 4.34Å; L78-I159 HydrophobicContact CD2-CG1 4.28Å; L94-I159 HydrophobicContact CD1-CG2 4.12Å; I102-I159 HydrophobicContact CD1-CG1 3.88Å; I155-I159 HydrophobicContact CG2-CD1 3.93Å; I155-I159 WeakPolarHBondContact O-CG1 3.36Å; I155-I159 PolarHBondContact O-N 2.68Å; A156-I159 PolarHBondContact O-N 3.4Å; I159-R161 VanDerWaalsContact C-N 3.33Å; I159-R161 PolarHBondContact O-N 3.26Å; I159-L162 WeakPolarHBondContact O-CB 3.25Å; I159-L162 PolarHBondContact O-N 3.45Å; I159-L162 VanDerWaalsContact O-N 3.16Å; I159-Q163 PolarHBondContact O-N 3.15Å; I159-G164 PolarHBondContact O-N 2.99Å
160V94.6Very high93.5Very high0 Ų019.5 Ų19.50%010%0.104CC..Hα-helixtrans-60.9-41.2174.4171.10000111F68 A156 R157 E158 L162 Q163 L172 A246 I249 V250F68-V160 HydrophobicContact CE1-CG2 3.59Å; F68-V160 HydrophobicContact CZ-CG2 3.86Å; A156-V160 WeakPolarHBondContact O-CG2 3.44Å; A156-V160 PolarHBondContact O-N 2.9Å; R157-V160 PolarHBondContact O-N 3.01Å; E158-V160 PolarHBondContact O-N 3.27Å; V160-L162 VanDerWaalsContact C-N 3.29Å; V160-L162 PolarHBondContact O-N 3.48Å; V160-Q163 WeakPolarHBondContact O-CA 3.37Å; V160-Q163 PolarHBondContact O-N 3.45Å; V160-L172 HydrophobicContact CG1-CD1 3.74Å; V160-L172 HydrophobicContact CG1-CG 3.69Å; V160-A246 HydrophobicContact CG1-CB 4.15Å; V160-I249 HydrophobicContact CG1-CB 4.25Å; V160-I249 HydrophobicContact CG1-CD1 4.09Å; V160-I249 HydrophobicContact CG1-CG2 4.11Å; V160-I249 HydrophobicContact CG2-CG2 3.84Å; V160-V250 HydrophobicContact CB-CG2 4.5Å; V160-V250 HydrophobicContact CG2-CG2 3.89Å
161R92.5Very high93.4Very high10 Ų1024 Ų244%0.03812%0.124CC..Hα-helixtrans-64.7-29.7175.1-70.8176.682.3-158.89.4113.2V90 R157 E158 I159 Q163 L172 S175 A176 A246 G371 D372V90-R161 HydrophobicContact CG1-CB 4.23Å; R157-R161 WeakPolarHBondContact O-CG 3.29Å; R157-R161 PolarHBondContact O-N 2.98Å; E158-R161 PolarHBondContact O-N 3.43Å; E158-R161 IonicContact OE1-NH1 2.72Å; E158-R161 WeakPolarHBondContact OE2-CD 3.43Å; E158-R161 IonicContact OE2-CZ 2.69Å; E158-R161 IonicContact OE2-NE 2.98Å; E158-R161 IonicContact OE2-NH1 3.65Å; E158-R161 PolarHBondContact OE2-NH1 3.37Å; I159-R161 VanDerWaalsContact C-N 3.33Å; I159-R161 PolarHBondContact O-N 3.26Å; R161-Q163 PolarHBondContact O-N 3.07Å; R161-L172 HydrophobicContact CG-CD1 4.34Å; R161-S175 CarbonylContact O-C 3.58Å; R161-S175 WeakPolarHBondContact O-CA 3.36Å; R161-A176 PolarHBondContact O-N 2.95Å; R161-A246 HydrophobicContact CG-CB 4.38Å; R161-G371 PolarHBondContact NH2-O 3.05Å; R161-D372 IonicContact NH2-OD1 3.72Å; R161-D372 PolarHBondContact NH2-OD1 3.23Å
162L92.9Very high93.2Very high0 Ų024 Ų240%012%0.124CC..THydrogen-bonded Turntrans-74.60.4169.7-73.2169.3000114L78 V90 L91 L94 A100 I102 E158 I159 V160L78-L162 HydrophobicContact CD1-CD1 3.54Å; V90-L162 HydrophobicContact CG1-CD1 4.35Å; V90-L162 HydrophobicContact CG1-CD2 3.38Å; V90-L162 HydrophobicContact CG1-CG 3.44Å; V90-L162 VanDerWaalsContact CG1-CG 3.44Å; L91-L162 WeakPolarHBondContact O-CD2 3.28Å; L94-L162 HydrophobicContact CD1-CB 3.78Å; L94-L162 HydrophobicContact CD1-CD1 4.4Å; L94-L162 HydrophobicContact CG-CB 3.85Å; L94-L162 HydrophobicContact CG-CD1 4.42Å; L94-L162 PolarHBondContact N-O 3.16Å; A100-L162 HydrophobicContact CB-CD1 4.09Å; A100-L162 HydrophobicContact CB-CD2 4.03Å; I102-L162 HydrophobicContact CD1-CD1 4.02Å; I102-L162 HydrophobicContact CG1-CD1 3.66Å; E158-L162 PolarHBondContact O-N 3.02Å; I159-L162 WeakPolarHBondContact O-CB 3.25Å; I159-L162 PolarHBondContact O-N 3.45Å; I159-L162 VanDerWaalsContact O-N 3.16Å; V160-L162 VanDerWaalsContact C-N 3.29Å; V160-L162 PolarHBondContact O-N 3.48Å
163Q92.9Very high92.9Very high26 Ų2625.1 Ų25.112%0.12114%0.136CC..THydrogen-bonded Turntrans72.329.6-175.8-149.7-175.58.300113.8R95 I159 V160 R161R95-Q163 VanDerWaalsContact CD-CD 3.48Å; I159-Q163 PolarHBondContact O-N 3.15Å; V160-Q163 WeakPolarHBondContact O-CA 3.37Å; V160-Q163 PolarHBondContact O-N 3.45Å; R161-Q163 PolarHBondContact O-N 3.07Å
164G91.8Very high92.6Very high3 Ų327.5 Ų27.53%0.03115%0.148CC..PPolyproline II helixtrans-57.6139.4164.200000110.7I159I159-G164 PolarHBondContact O-N 2.99Å
165V93.3Very high92.3Very high17 Ų1727.5 Ų27.510%0.10315%0.148CC..PPolyproline II helixtrans-97.3124.4177.9-176.30000107.7F68 N69 R95 K171F68-V165 CarbonylContact C-O 3.51Å; F68-V165 VanDerWaalsContact CA-O 3.3Å; F68-V165 WeakPolarHBondContact CA-O 3.37Å; F68-V165 WeakPolarHBondContact CB-O 3.42Å; F68-V165 WeakPolarHBondContact CD1-O 3.37Å; N69-V165 PolarHBondContact N-O 3.06Å; R95-V165 VanDerWaalsContact NH2-CG2 3.33Å; V165-K171 HydrophobicContact CG2-CB 4.32Å; V165-K171 HydrophobicContact CG2-CD 4.12Å
166T93.1Very high92Very high0 Ų028 Ų280%015%0.152CC..BIsolated β-bridgetrans-66.3163.9176.362.50000110.9F68 N69 T168 D169 Q170 I249 L253F68-T166 HydrophobicContact CD1-CG2 4.24Å; F68-T166 HydrophobicContact CE1-CG2 3.86Å; N69-T166 PolarHBondContact ND2-O 2.78Å; T166-T168 PolarHBondContact O-N 3.36Å; T166-T168 VanDerWaalsContact O-N 3.13Å; T166-T168 PolarHBondContact OG1-N 3.06Å; T166-T168 PolarHBondContact OG1-OG1 3.32Å; T166-D169 PolarHBondContact O-N 3.34Å; T166-D169 PolarHBondContact OG1-N 3.49Å; T166-Q170 HydrophobicContact CG2-CB 4.37Å; T166-Q170 PolarHBondContact N-O 3.47Å; T166-Q170 WeakPolarHBondContact OG1-CA 3.37Å; T166-Q170 WeakPolarHBondContact OG1-CB 3.33Å; T166-Q170 PolarHBondContact OG1-N 3.09Å; T166-Q170 PolarHBondContact OG1-O 3.46Å; T166-I249 HydrophobicContact CG2-CG2 3.53Å; T166-L253 HydrophobicContact CG2-CD1 4.48Å; T166-L253 HydrophobicContact CG2-CD2 3.72Å; T166-L253 HydrophobicContact CG2-CG 4.29Å
167V90.7Very high91.6Very high72 Ų7228.6 Ų28.644%0.43615%0.154SC..THydrogen-bonded Turntrans-57.2-23.1169.6-72.20000113.4H67 D169 L253H67-V167 PolarHBondContact O-N 3.34Å; V167-D169 VanDerWaalsContact C-N 3.29Å; V167-L253 HydrophobicContact CG2-CD2 4.34Å
168T88.8Confident91.4Very high55 Ų5530.3 Ų30.334%0.33717%0.166SC..THydrogen-bonded Turntrans-88.614174.853.90000113.6T166 Q170 I419T166-T168 PolarHBondContact O-N 3.36Å; T166-T168 VanDerWaalsContact O-N 3.13Å; T166-T168 PolarHBondContact OG1-N 3.06Å; T166-T168 PolarHBondContact OG1-OG1 3.32Å; T168-Q170 PolarHBondContact O-N 3.4Å; T168-Q170 VanDerWaalsContact O-N 3.12Å; T168-I419 HydrophobicContact CG2-CD1 4.14Å
169D90.3Very high91.1Very high118 Ų11831 Ų3163%0.63117%0.17SC*.  trans57.420.7-177.8-72.8-36.1000115.6N69 T166 V167N69-D169 PolarHBondContact ND2-OD1 3.28Å; T166-D169 PolarHBondContact O-N 3.34Å; T166-D169 PolarHBondContact OG1-N 3.49Å; V167-D169 VanDerWaalsContact C-N 3.29Å
170Q91.3Very high90.6Very high67 Ų6731.7 Ų31.731%0.31317%0.174SC..  trans-83.1141.6172.9-58.5-172.8-7.200110.6T166 T168 I249 S252T166-Q170 HydrophobicContact CG2-CB 4.37Å; T166-Q170 PolarHBondContact N-O 3.47Å; T166-Q170 WeakPolarHBondContact OG1-CA 3.37Å; T166-Q170 WeakPolarHBondContact OG1-CB 3.33Å; T166-Q170 PolarHBondContact OG1-N 3.09Å; T166-Q170 PolarHBondContact OG1-O 3.46Å; T168-Q170 PolarHBondContact O-N 3.4Å; T168-Q170 VanDerWaalsContact O-N 3.12Å; Q170-I249 HydrophobicContact CB-CG1 4.3Å; Q170-I249 HydrophobicContact CB-CG2 3.91Å; Q170-S252 PolarHBondContact OE1-OG 3.09Å
171K91.8Very high90.3Very high94 Ų9432.4 Ų32.441%0.40918%0.178SC..  trans-156.5159.7178.267-170.6-179.6-166.90111R95 V165R95-K171 VanDerWaalsContact NH1-NZ 3.18Å; V165-K171 HydrophobicContact CG2-CB 4.32Å; V165-K171 HydrophobicContact CG2-CD 4.12Å
172L90.7Very high90.2Very high1 Ų135.3 Ų35.31%0.00519%0.194CC..  trans-75.2153.6167.9-76.1174.6000111.9V160 R161 L174 R245 A246 I249V160-L172 HydrophobicContact CG1-CD1 3.74Å; V160-L172 HydrophobicContact CG1-CG 3.69Å; R161-L172 HydrophobicContact CG-CD1 4.34Å; L172-L174 PolarHBondContact O-N 3.46Å; L172-R245 HydrophobicContact CD2-CB 3.92Å; L172-R245 HydrophobicContact CD2-CG 3.87Å; L172-A246 HydrophobicContact CD1-CB 4Å; L172-I249 HydrophobicContact CD2-CD1 4.08Å; L172-I249 HydrophobicContact CG-CD1 4.16Å
173P89.6Confident89.9Confident65 Ų6535.7 Ų35.742%0.42220%0.196SC..SBendtrans-66.9-35.3179.325.9-33.9000112.8W238P173-W238 HydrophobicContact CG-CH2 4.24Å; P173-W238 HydrophobicContact CG-CZ2 3.96Å
174L89.4Confident89.5Confident49 Ų4935.8 Ų35.826%0.25720%0.2SC..SBendtrans-131.7135.8-175.6-61.9177.9000110.6L172 Q179 L182 W238L172-L174 PolarHBondContact O-N 3.46Å; L174-Q179 HydrophobicContact CB-CG 3.92Å; L174-Q179 PolarHBondContact O-NE2 3.21Å; L174-Q179 VanDerWaalsContact O-NE2 3.14Å; L174-L182 HydrophobicContact CD1-CD2 3.98Å; L174-W238 HydrophobicContact CD1-CZ2 3.99Å; L174-W238 HydrophobicContact CG-CZ2 4.47Å
175S90.4Very high89.5Confident0 Ų037.9 Ų37.90%021%0.21CC..  trans-70.1164.7169.5650000111.7S93 R161 R177 S178 Q179S93-S175 WeakPolarHBondContact OG-CB 3.25Å; S93-S175 PolarHBondContact OG-OG 2.86Å; R161-S175 CarbonylContact O-C 3.58Å; R161-S175 WeakPolarHBondContact O-CA 3.36Å; S175-R177 VanDerWaalsContact C-N 3.29Å; S175-R177 PolarHBondContact O-N 3.1Å; S175-S178 PolarHBondContact O-N 3.13Å; S175-S178 VanDerWaalsContact O-N 3.09Å; S175-S178 PolarHBondContact OG-N 2.87Å; S175-S178 PolarHBondContact OG-OG 2.99Å; S175-Q179 WeakPolarHBondContact O-CG 3.47Å; S175-Q179 PolarHBondContact O-N 3.4Å
176A87.8Confident89.3Confident11 Ų1138.4 Ų38.49%0.09122%0.215CC..Hα-helixtrans-53.9-42.6173.600000113.1V90 R161 S178 Q179 S180V90-A176 HydrophobicContact CB-CB 4.46Å; V90-A176 HydrophobicContact CG1-CB 3.56Å; R161-A176 PolarHBondContact O-N 2.95Å; A176-S178 PolarHBondContact O-N 3.18Å; A176-Q179 PolarHBondContact O-N 3.37Å; A176-S180 PolarHBondContact O-N 3.03Å
177R89Confident89.1Confident13 Ų1341 Ų415%0.04923%0.228CC..Hα-helixtrans-57.1-50.4172.5178.8173-61.3147.97.2112.1Q31 E35 G92 P97 Y99 S175 Q179 S180 L181Q31-R177 HydrophobicContact CG-CG 3.82Å; E35-R177 WeakPolarHBondContact OE1-CB 3.36Å; E35-R177 WeakPolarHBondContact OE1-CG 3.32Å; E35-R177 IonicContact OE1-NE 3.08Å; E35-R177 PolarHBondContact OE1-NE 3.41Å; E35-R177 VanDerWaalsContact OE1-NE 3.08Å; E35-R177 IonicContact OE2-CZ 3.18Å; E35-R177 IonicContact OE2-NE 2.87Å; E35-R177 PolarHBondContact OE2-NE 3.26Å; E35-R177 IonicContact OE2-NH2 2.82Å; E35-R177 PolarHBondContact OE2-NH2 2.94Å; G92-R177 WeakPolarHBondContact O-CB 2.87Å; G92-R177 PolarHBondContact O-N 3.4Å; P97-R177 PolarHBondContact O-NH1 3Å; Y99-R177 PolarHBondContact O-NH2 3.08Å; S175-R177 VanDerWaalsContact C-N 3.29Å; S175-R177 PolarHBondContact O-N 3.1Å; R177-Q179 VanDerWaalsContact C-N 3.28Å; R177-Q179 PolarHBondContact O-N 3.37Å; R177-S180 WeakPolarHBondContact O-CB 3.41Å; R177-S180 PolarHBondContact O-N 3.49Å; R177-L181 HydrophobicContact CG-CD1 4.05Å; R177-L181 WeakPolarHBondContact O-CG 3.48Å; R177-L181 PolarHBondContact O-N 3.3Å
178S89.1Confident89.1Confident36 Ų3639.4 Ų39.425%0.25222%0.217SC..Hα-helixtrans-63.4-35179.9-630000112.2S175 A176 L182S175-S178 PolarHBondContact O-N 3.13Å; S175-S178 VanDerWaalsContact O-N 3.09Å; S175-S178 PolarHBondContact OG-N 2.87Å; S175-S178 PolarHBondContact OG-OG 2.99Å; A176-S178 PolarHBondContact O-N 3.18Å; S178-L182 VanDerWaalsContact O-CB 3.24Å; S178-L182 WeakPolarHBondContact O-CB 3.29Å; S178-L182 PolarHBondContact O-N 3.44Å
179Q87.8Confident89.2Confident15 Ų1538 Ų387%0.0721%0.214CC..Hα-helixtrans-68.1-38.5174.3-68.4179.43200112.3L174 S175 A176 R177 L182 T183L174-Q179 HydrophobicContact CB-CG 3.92Å; L174-Q179 PolarHBondContact O-NE2 3.21Å; L174-Q179 VanDerWaalsContact O-NE2 3.14Å; S175-Q179 WeakPolarHBondContact O-CG 3.47Å; S175-Q179 PolarHBondContact O-N 3.4Å; A176-Q179 PolarHBondContact O-N 3.37Å; R177-Q179 VanDerWaalsContact C-N 3.28Å; R177-Q179 PolarHBondContact O-N 3.37Å; Q179-L182 PolarHBondContact O-N 3.47Å; Q179-T183 PolarHBondContact O-N 2.88Å; Q179-T183 PolarHBondContact O-OG1 2.96Å
180S85.4Confident89.3Confident13 Ų1333 Ų339%0.09119%0.188CC..Hα-helixtrans-64.2-48.4174.6-166.80000111.1Q31 A176 R177 L182 T183 S184Q31-S180 PolarHBondContact NE2-OG 3.2Å; A176-S180 PolarHBondContact O-N 3.03Å; R177-S180 WeakPolarHBondContact O-CB 3.41Å; R177-S180 PolarHBondContact O-N 3.49Å; S180-L182 VanDerWaalsContact C-N 3.35Å; S180-L182 PolarHBondContact O-N 3.3Å; S180-T183 WeakPolarHBondContact O-CA 3.31Å; S180-T183 WeakPolarHBondContact O-CB 3.48Å; S180-T183 PolarHBondContact O-N 3.45Å; S180-S184 PolarHBondContact O-N 3.3Å
181L88.4Confident89.4Confident15 Ų1533.6 Ų33.68%0.07919%0.193CC..Hα-helixtrans-60.5-40.8174.5-74.4171.3000112.9Y28 Q31 R177 T183 S184 N185Y28-L181 HydrophobicContact CD2-CD1 3.84Å; Y28-L181 HydrophobicContact CE2-CD1 4.22Å; Q31-L181 HydrophobicContact CB-CD2 3.75Å; Q31-L181 HydrophobicContact CB-CG 4.31Å; Q31-L181 HydrophobicContact CG-CD1 4.33Å; Q31-L181 HydrophobicContact CG-CD2 3.84Å; Q31-L181 HydrophobicContact CG-CG 3.88Å; R177-L181 HydrophobicContact CG-CD1 4.05Å; R177-L181 WeakPolarHBondContact O-CG 3.48Å; R177-L181 PolarHBondContact O-N 3.3Å; L181-T183 VanDerWaalsContact C-N 3.29Å; L181-T183 PolarHBondContact O-N 2.95Å; L181-S184 WeakPolarHBondContact CA-OG 3.14Å; L181-S184 PolarHBondContact O-N 2.83Å; L181-S184 PolarHBondContact O-OG 3.32Å; L181-N185 WeakPolarHBondContact O-CB 3.5Å; L181-N185 VanDerWaalsContact O-CG 3.23Å; L181-N185 PolarHBondContact O-N 2.99Å; L181-N185 PolarHBondContact O-ND2 3.44Å
182L89.2Confident89.4Confident71 Ų7131.9 Ų31.937%0.37218%0.184SC..Hα-helixtrans-61.5-42174.4179.964.1000110.4L174 S178 Q179 S180 S186 I235L174-L182 HydrophobicContact CD1-CD2 3.98Å; S178-L182 VanDerWaalsContact O-CB 3.24Å; S178-L182 WeakPolarHBondContact O-CB 3.29Å; S178-L182 PolarHBondContact O-N 3.44Å; Q179-L182 PolarHBondContact O-N 3.47Å; S180-L182 VanDerWaalsContact C-N 3.35Å; S180-L182 PolarHBondContact O-N 3.3Å; L182-S186 WeakPolarHBondContact O-CB 3.28Å; L182-S186 PolarHBondContact O-N 2.87Å; L182-S186 PolarHBondContact O-OG 3.07Å; L182-I235 HydrophobicContact CD2-CD1 4.3Å; L182-I235 HydrophobicContact CG-CD1 4.09Å
183T86.6Confident89.6Confident8 Ų837.2 Ų37.25%0.04921%0.212CC..Hα-helixtrans-62.9-51177-54.40000110.8Q179 S180 L181 N185 S186 I187 I235 R239Q179-T183 PolarHBondContact O-N 2.88Å; Q179-T183 PolarHBondContact O-OG1 2.96Å; S180-T183 WeakPolarHBondContact O-CA 3.31Å; S180-T183 WeakPolarHBondContact O-CB 3.48Å; S180-T183 PolarHBondContact O-N 3.45Å; L181-T183 VanDerWaalsContact C-N 3.29Å; L181-T183 PolarHBondContact O-N 2.95Å; T183-N185 PolarHBondContact O-N 3.22Å; T183-S186 PolarHBondContact O-N 2.98Å; T183-S186 PolarHBondContact O-OG 3.43Å; T183-I187 WeakPolarHBondContact O-CG1 3.43Å; T183-I187 PolarHBondContact O-N 2.86Å; T183-I235 HydrophobicContact CG2-CG2 4.32Å; T183-R239 PolarHBondContact OG1-NH2 3.5Å
184S85.7Confident89.8Confident29 Ų2934.4 Ų34.420%0.20319%0.194CC..Hα-helixtrans-62.6-45.8-179.962.70000112.3S180 L181 S186 I187 I188S180-S184 PolarHBondContact O-N 3.3Å; L181-S184 WeakPolarHBondContact CA-OG 3.14Å; L181-S184 PolarHBondContact O-N 2.83Å; L181-S184 PolarHBondContact O-OG 3.32Å; S184-S186 VanDerWaalsContact C-N 3.35Å; S184-S186 PolarHBondContact O-N 3.32Å; S184-I187 WeakPolarHBondContact O-CB 3.43Å; S184-I187 PolarHBondContact O-N 3.39Å; S184-I188 PolarHBondContact O-N 2.95Å
185N90.2Very high89.9Confident46 Ų4635.7 Ų35.725%0.24620%0.196CC..Hα-helixtrans-72.5-30.5-177.3-67.6-11.8000111.8S27 L181 T183 I187 I188 G189S27-N185 PolarHBondContact OG-OD1 2.95Å; L181-N185 WeakPolarHBondContact O-CB 3.5Å; L181-N185 VanDerWaalsContact O-CG 3.23Å; L181-N185 PolarHBondContact O-N 2.99Å; L181-N185 PolarHBondContact O-ND2 3.44Å; T183-N185 PolarHBondContact O-N 3.22Å; N185-I187 VanDerWaalsContact C-N 3.35Å; N185-I188 PolarHBondContact O-N 3.48Å; N185-G189 PolarHBondContact O-N 3.18Å
186S90.1Very high90Very high28 Ų2837.8 Ų37.820%0.19621%0.205CC..Hα-helixtrans-67.9-32.5173.166.70000112.6L182 T183 S184 G189 S190 Q231L182-S186 WeakPolarHBondContact O-CB 3.28Å; L182-S186 PolarHBondContact O-N 2.87Å; L182-S186 PolarHBondContact O-OG 3.07Å; T183-S186 PolarHBondContact O-N 2.98Å; T183-S186 PolarHBondContact O-OG 3.43Å; S184-S186 VanDerWaalsContact C-N 3.35Å; S184-S186 PolarHBondContact O-N 3.32Å; S186-G189 PolarHBondContact O-N 3.16Å; S186-S190 VanDerWaalsContact O-CB 3.23Å; S186-S190 WeakPolarHBondContact O-CB 3.28Å; S186-S190 PolarHBondContact O-N 2.61Å; S186-Q231 PolarHBondContact OG-NE2 3.07Å
187I89.6Confident90.2Very high54 Ų5440.4 Ų40.428%0.27722%0.22SC..Hα-helixtrans-63.4-49.4171.8-67.1167.3000110.1T183 S184 N185 G189 S190 L191 L228T183-I187 WeakPolarHBondContact O-CG1 3.43Å; T183-I187 PolarHBondContact O-N 2.86Å; S184-I187 WeakPolarHBondContact O-CB 3.43Å; S184-I187 PolarHBondContact O-N 3.39Å; N185-I187 VanDerWaalsContact C-N 3.35Å; I187-G189 VanDerWaalsContact C-N 3.34Å; I187-G189 PolarHBondContact O-N 3.13Å; I187-S190 PolarHBondContact O-N 3.05Å; I187-L191 HydrophobicContact CG2-CD1 4.29Å; I187-L191 WeakPolarHBondContact O-CG 3.48Å; I187-L191 PolarHBondContact O-N 2.93Å; I187-L228 HydrophobicContact CG2-CD2 4.01Å
188I90.1Very high90.3Very high39 Ų3940.6 Ų40.620%0.222%0.222CC..Hα-helixtrans-58.6-48177.2-62.8163.9000110.1A20 A23 S184 N185 S190 L191 Y192A20-I188 HydrophobicContact CB-CG2 4.01Å; A23-I188 HydrophobicContact CB-CD1 3.73Å; A23-I188 HydrophobicContact CB-CG1 4.38Å; A23-I188 HydrophobicContact CB-CG2 4.29Å; S184-I188 PolarHBondContact O-N 2.95Å; N185-I188 PolarHBondContact O-N 3.48Å; I188-S190 PolarHBondContact O-N 3.06Å; I188-L191 PolarHBondContact O-N 3.27Å; I188-Y192 WeakPolarHBondContact O-CB 3.32Å; I188-Y192 PolarHBondContact O-N 3.4Å
189G91.7Very high90.3Very high27 Ų2741.9 Ų41.928%0.27822%0.224SC..Hα-helixtrans-60.6-42.217800000112.9N185 S186 I187 Y192 L193N185-G189 PolarHBondContact O-N 3.18Å; S186-G189 PolarHBondContact O-N 3.16Å; I187-G189 VanDerWaalsContact C-N 3.34Å; I187-G189 PolarHBondContact O-N 3.13Å; G189-Y192 PolarHBondContact O-N 2.86Å; G189-L193 WeakPolarHBondContact O-CB 3.49Å; G189-L193 VanDerWaalsContact O-CG 3.3Å; G189-L193 WeakPolarHBondContact O-CG 3.34Å; G189-L193 PolarHBondContact O-N 3.47Å
190S92.2Very high90.4Very high12 Ų1246.2 Ų46.28%0.08425%0.247CC..Hα-helixtrans-64-43.9177.2176.80000112.3S186 I187 I188 Y192 L193 S194 G227 L228S186-S190 VanDerWaalsContact O-CB 3.23Å; S186-S190 WeakPolarHBondContact O-CB 3.28Å; S186-S190 PolarHBondContact O-N 2.61Å; I187-S190 PolarHBondContact O-N 3.05Å; I188-S190 PolarHBondContact O-N 3.06Å; S190-Y192 VanDerWaalsContact C-N 3.33Å; S190-L193 PolarHBondContact O-N 3.34Å; S190-S194 WeakPolarHBondContact O-CB 3.42Å; S190-S194 PolarHBondContact O-N 3.48Å; S190-S194 PolarHBondContact O-OG 2.83Å; S190-G227 PolarHBondContact OG-O 3.41Å; S190-G227 VanDerWaalsContact OG-O 3.06Å; S190-L228 PolarHBondContact OG-N 3.25Å
191L92.3Very high90.5Very high80 Ų8048 Ų4842%0.41926%0.255SS..Hα-helixtrans-64.2-40.6175.5-70.4175.2000111.4I187 I188 S194 Y195 L228I187-L191 HydrophobicContact CG2-CD1 4.29Å; I187-L191 WeakPolarHBondContact O-CG 3.48Å; I187-L191 PolarHBondContact O-N 2.93Å; I188-L191 PolarHBondContact O-N 3.27Å; L191-S194 WeakPolarHBondContact O-CB 3.36Å; L191-S194 PolarHBondContact O-N 3.31Å; L191-Y195 WeakPolarHBondContact O-CB 3.3Å; L191-Y195 PolarHBondContact O-N 3.32Å; L191-L228 HydrophobicContact CD2-CD1 4.05Å; L191-L228 HydrophobicContact CD2-CD2 4.11Å; L191-L228 HydrophobicContact CD2-CG 4.11Å; L191-L228 HydrophobicContact CG-CD2 4.13Å
192Y92.9Very high90.5Very high58 Ų5849.1 Ų49.123%0.22726%0.261CS..Hα-helixtrans-63-45.2175.1178.2-104.1000112.3A16 L17 A20 I188 G189 S190 S194 Y195 Q196A16-Y192 HydrophobicContact CB-CD2 4.28Å; A16-Y192 HydrophobicContact CB-CE2 4.05Å; L17-Y192 HydrophobicContact CB-CE2 4.11Å; L17-Y192 HydrophobicContact CD1-CE1 4.45Å; L17-Y192 HydrophobicContact CD1-CE2 4.44Å; A20-Y192 HydrophobicContact CB-CD2 4.13Å; A20-Y192 HydrophobicContact CB-CG 4.31Å; I188-Y192 WeakPolarHBondContact O-CB 3.32Å; I188-Y192 PolarHBondContact O-N 3.4Å; G189-Y192 PolarHBondContact O-N 2.86Å; S190-Y192 VanDerWaalsContact C-N 3.33Å; Y192-S194 VanDerWaalsContact C-N 3.34Å; Y192-S194 PolarHBondContact O-N 2.93Å; Y192-Y195 WeakPolarHBondContact O-CB 3.48Å; Y192-Y195 PolarHBondContact O-N 3.05Å; Y192-Q196 HydrophobicContact CD1-CG 4.44Å; Y192-Q196 HydrophobicContact CE1-CG 4.03Å; Y192-Q196 HydrophobicContact CE2-CG 4.4Å; Y192-Q196 WeakPolarHBondContact O-CG 3.27Å; Y192-Q196 PolarHBondContact O-N 2.87Å; Y192-Q196 PolarHBondContact OH-NE2 2.79Å
193L93.6Very high90.4Very high112 Ų11255 Ų5559%0.58628%0.278SS*.Hα-helixtrans-64.3-38175.6-72.9172.4000112.4G189 S190 Y195 Q196 T197G189-L193 WeakPolarHBondContact O-CB 3.49Å; G189-L193 VanDerWaalsContact O-CG 3.3Å; G189-L193 WeakPolarHBondContact O-CG 3.34Å; G189-L193 PolarHBondContact O-N 3.47Å; S190-L193 PolarHBondContact O-N 3.34Å; L193-Y195 VanDerWaalsContact C-N 3.34Å; L193-Q196 PolarHBondContact O-N 2.84Å; L193-T197 WeakPolarHBondContact O-CB 3.39Å; L193-T197 PolarHBondContact O-N 3.15Å; L193-T197 PolarHBondContact O-OG1 3.15Å
194S93.6Very high90.5Very high6 Ų659 Ų594%0.04230%0.302CS..Hα-helixtrans-61.7-44.3173.8-59.80000110.6S190 L191 Y192 T197 I198S190-S194 WeakPolarHBondContact O-CB 3.42Å; S190-S194 PolarHBondContact O-N 3.48Å; S190-S194 PolarHBondContact O-OG 2.83Å; L191-S194 WeakPolarHBondContact O-CB 3.36Å; L191-S194 PolarHBondContact O-N 3.31Å; Y192-S194 VanDerWaalsContact C-N 3.34Å; Y192-S194 PolarHBondContact O-N 2.93Å; S194-T197 WeakPolarHBondContact O-CB 3.43Å; S194-T197 PolarHBondContact O-N 3.23Å; S194-I198 WeakPolarHBondContact O-CD1 3.33Å; S194-I198 VanDerWaalsContact O-CG1 3.29Å; S194-I198 WeakPolarHBondContact O-CG1 3.32Å; S194-I198 PolarHBondContact O-N 2.97Å
195Y92.2Very high90.4Very high77 Ų7761.1 Ų61.130%0.30231%0.311SS..Hα-helixtrans-60.2-45.1174172.3-95.3000112.4S12 A16 L191 Y192 L193 T197 I198 F199S12-Y195 VanDerWaalsContact CB-OH 3.24Å; S12-Y195 WeakPolarHBondContact CB-OH 3.16Å; S12-Y195 PolarHBondContact OG-OH 3.13Å; A16-Y195 HydrophobicContact CB-CD1 3.88Å; A16-Y195 HydrophobicContact CB-CE1 3.64Å; L191-Y195 WeakPolarHBondContact O-CB 3.3Å; L191-Y195 PolarHBondContact O-N 3.32Å; Y192-Y195 WeakPolarHBondContact O-CB 3.48Å; Y192-Y195 PolarHBondContact O-N 3.05Å; L193-Y195 VanDerWaalsContact C-N 3.34Å; Y195-T197 VanDerWaalsContact C-N 3.33Å; Y195-T197 PolarHBondContact O-N 3.14Å; Y195-I198 PolarHBondContact O-N 3.39Å; Y195-F199 WeakPolarHBondContact O-CB 3.32Å; Y195-F199 PolarHBondContact O-N 3.32Å
196Q92.5Very high90Very high43 Ų4361.4 Ų61.420%0.20131%0.314CS..Hα-helixtrans-64-39177.2-67.1-62.1-8.800112.3Y192 L193 F199 L200Y192-Q196 HydrophobicContact CD1-CG 4.44Å; Y192-Q196 HydrophobicContact CE1-CG 4.03Å; Y192-Q196 HydrophobicContact CE2-CG 4.4Å; Y192-Q196 WeakPolarHBondContact O-CG 3.27Å; Y192-Q196 PolarHBondContact O-N 2.87Å; Y192-Q196 PolarHBondContact OH-NE2 2.79Å; L193-Q196 PolarHBondContact O-N 2.84Å; Q196-F199 PolarHBondContact O-N 3.47Å; Q196-L200 WeakPolarHBondContact O-CB 3.24Å; Q196-L200 PolarHBondContact O-N 3.03Å
197T91.9Very high89.4Confident66 Ų6660.7 Ų60.741%0.40531%0.308SS..Hα-helixtrans-61.2-46.9174.4-57.40000111L193 S194 Y195 F199 L200 L201 I223L193-T197 WeakPolarHBondContact O-CB 3.39Å; L193-T197 PolarHBondContact O-N 3.15Å; L193-T197 PolarHBondContact O-OG1 3.15Å; S194-T197 WeakPolarHBondContact O-CB 3.43Å; S194-T197 PolarHBondContact O-N 3.23Å; Y195-T197 VanDerWaalsContact C-N 3.33Å; Y195-T197 PolarHBondContact O-N 3.14Å; T197-F199 VanDerWaalsContact C-N 3.34Å; T197-F199 PolarHBondContact O-N 3.39Å; T197-L200 PolarHBondContact O-N 3.49Å; T197-L201 HydrophobicContact CG2-CD1 3.97Å; T197-L201 HydrophobicContact CG2-CG 4.46Å; T197-L201 WeakPolarHBondContact O-CB 3.05Å; T197-L201 VanDerWaalsContact O-CG 3.28Å; T197-L201 WeakPolarHBondContact O-CG 3.35Å; T197-L201 PolarHBondContact O-N 3.3Å; T197-I223 HydrophobicContact CG2-CG2 4.24Å
198I91.9Very high88.8Confident18 Ų1861 Ų619%0.09231%0.313CS..Hα-helixtrans-61.2-43.9176.2-70.3162.6000111S194 Y195 L200 L201 N202 Y220 I223S194-I198 WeakPolarHBondContact O-CD1 3.33Å; S194-I198 VanDerWaalsContact O-CG1 3.29Å; S194-I198 WeakPolarHBondContact O-CG1 3.32Å; S194-I198 PolarHBondContact O-N 2.97Å; Y195-I198 PolarHBondContact O-N 3.39Å; I198-L200 VanDerWaalsContact C-N 3.34Å; I198-L200 PolarHBondContact O-N 3.27Å; I198-L201 PolarHBondContact O-N 3.36Å; I198-N202 WeakPolarHBondContact O-CB 3.39Å; I198-N202 VanDerWaalsContact O-CG 3.31Å; I198-N202 PolarHBondContact O-N 2.84Å; I198-N202 PolarHBondContact O-ND2 3.44Å; I198-Y220 HydrophobicContact CB-CD1 4.35Å; I198-Y220 HydrophobicContact CD1-CD1 4.16Å; I198-Y220 HydrophobicContact CD1-CG 4.11Å; I198-Y220 HydrophobicContact CG1-CD1 3.93Å; I198-Y220 HydrophobicContact CG1-CG 4.39Å; I198-Y220 HydrophobicContact CG2-CD1 3.52Å; I198-Y220 HydrophobicContact CG2-CD2 4.4Å; I198-Y220 HydrophobicContact CG2-CE1 3.47Å; I198-Y220 VanDerWaalsContact CG2-CE1 3.47Å; I198-Y220 HydrophobicContact CG2-CE2 4.34Å; I198-Y220 HydrophobicContact CG2-CG 4.02Å; I198-I223 HydrophobicContact CD1-CB 4.43Å; I198-I223 HydrophobicContact CD1-CG2 4.38Å; I198-I223 HydrophobicContact CG1-CB 4.28Å; I198-I223 HydrophobicContact CG1-CD1 3.78Å; I198-I223 HydrophobicContact CG1-CG2 4.1Å
199F88.8Confident88.2Confident63 Ų6366.2 Ų66.228%0.27634%0.341SS..Hα-helixtrans-59.6-45.8177.4-178.5-89.6000111.5Q13 Y195 Q196 T197 N202 R203Q13-F199 HydrophobicContact CG-CD1 4.31Å; Q13-F199 HydrophobicContact CG-CD2 4.07Å; Q13-F199 HydrophobicContact CG-CE1 4.19Å; Q13-F199 HydrophobicContact CG-CE2 3.94Å; Q13-F199 HydrophobicContact CG-CG 4.25Å; Q13-F199 HydrophobicContact CG-CZ 4Å; Y195-F199 WeakPolarHBondContact O-CB 3.32Å; Y195-F199 PolarHBondContact O-N 3.32Å; Q196-F199 PolarHBondContact O-N 3.47Å; T197-F199 VanDerWaalsContact C-N 3.34Å; T197-F199 PolarHBondContact O-N 3.39Å; F199-N202 PolarHBondContact O-N 2.99Å; F199-R203 PolarHBondContact O-N 3.49Å; F199-R203 VanDerWaalsContact O-N 3.17Å
200L89.3Confident87.6Confident106 Ų10673.7 Ų73.756%0.55536%0.361SS*.Hα-helixtrans-62.4-48.3177.1-175.765.7000111.5Q196 T197 I198 N202 R203 T204Q196-L200 WeakPolarHBondContact O-CB 3.24Å; Q196-L200 PolarHBondContact O-N 3.03Å; T197-L200 PolarHBondContact O-N 3.49Å; I198-L200 VanDerWaalsContact C-N 3.34Å; I198-L200 PolarHBondContact O-N 3.27Å; L200-N202 VanDerWaalsContact C-N 3.31Å; L200-N202 PolarHBondContact O-N 3.28Å; L200-R203 PolarHBondContact O-N 3.15Å; L200-R203 VanDerWaalsContact O-N 3.07Å; L200-T204 HydrophobicContact CD1-CG2 4.17Å; L200-T204 HydrophobicContact CG-CG2 4.36Å; L200-T204 WeakPolarHBondContact O-CG2 3.24Å; L200-T204 PolarHBondContact O-N 3.1Å; L200-T204 PolarHBondContact O-OG1 3.29Å; L200-T204 VanDerWaalsContact O-OG1 3.08Å
201L88.6Confident87.2Confident49 Ų4975.1 Ų75.126%0.25737%0.369SS..Hα-helixtrans-59.5-40.5178.4-73.8169000112.5T197 I198 R203 T204 I205 L207 I223T197-L201 HydrophobicContact CG2-CD1 3.97Å; T197-L201 HydrophobicContact CG2-CG 4.46Å; T197-L201 WeakPolarHBondContact O-CB 3.05Å; T197-L201 VanDerWaalsContact O-CG 3.28Å; T197-L201 WeakPolarHBondContact O-CG 3.35Å; T197-L201 PolarHBondContact O-N 3.3Å; I198-L201 PolarHBondContact O-N 3.36Å; L201-R203 VanDerWaalsContact C-N 3.27Å; L201-R203 PolarHBondContact O-N 3.37Å; L201-T204 WeakPolarHBondContact CA-OG1 3.45Å; L201-T204 PolarHBondContact O-N 3.18Å; L201-T204 PolarHBondContact O-OG1 3.45Å; L201-I205 HydrophobicContact CD2-CD1 3.86Å; L201-I205 PolarHBondContact O-N 2.92Å; L201-L207 HydrophobicContact CB-CD1 3.74Å; L201-I223 HydrophobicContact CD1-CD1 3.47Å; L201-I223 VanDerWaalsContact CD1-CD1 3.47Å
202N88Confident87Confident39 Ų3974.6 Ų74.621%0.20937%0.372CS..Hα-helixtrans-63.5-35.2176.1-78.6-29.1000112.4I198 F199 L200 T206 L207 P208 Y220I198-N202 WeakPolarHBondContact O-CB 3.39Å; I198-N202 VanDerWaalsContact O-CG 3.31Å; I198-N202 PolarHBondContact O-N 2.84Å; I198-N202 PolarHBondContact O-ND2 3.44Å; F199-N202 PolarHBondContact O-N 2.99Å; L200-N202 VanDerWaalsContact C-N 3.31Å; L200-N202 PolarHBondContact O-N 3.28Å; N202-T206 VanDerWaalsContact O-CA 3.28Å; N202-T206 WeakPolarHBondContact O-CA 3.24Å; N202-T206 PolarHBondContact O-N 2.85Å; N202-L207 VanDerWaalsContact OD1-CB 3.28Å; N202-L207 WeakPolarHBondContact OD1-CB 3.14Å; N202-P208 HydrophobicContact CB-CG 4.49Å; N202-Y220 VanDerWaalsContact CG-OH 3.31Å; N202-Y220 PolarHBondContact ND2-OH 2.76Å; N202-Y220 PolarHBondContact OD1-OH 3.03Å
203R85.8Confident86.7Confident195 Ų19577.7 Ų77.774%0.73639%0.392SS*.Hα-helixtrans-76.7-38.5178.3-174.3174.5173.6161.7-2.2112.5F199 L200 L201F199-R203 PolarHBondContact O-N 3.49Å; F199-R203 VanDerWaalsContact O-N 3.17Å; L200-R203 PolarHBondContact O-N 3.15Å; L200-R203 VanDerWaalsContact O-N 3.07Å; L201-R203 VanDerWaalsContact C-N 3.27Å; L201-R203 PolarHBondContact O-N 3.37Å
204T88.5Confident86.5Confident91 Ų9175.4 Ų75.456%0.55839%0.389SS*.Hα-helixtrans-81.5-42.9-175.653.70000112.9L200 L201L200-T204 HydrophobicContact CD1-CG2 4.17Å; L200-T204 HydrophobicContact CG-CG2 4.36Å; L200-T204 WeakPolarHBondContact O-CG2 3.24Å; L200-T204 PolarHBondContact O-N 3.1Å; L200-T204 PolarHBondContact O-OG1 3.29Å; L200-T204 VanDerWaalsContact O-OG1 3.08Å; L201-T204 WeakPolarHBondContact CA-OG1 3.45Å; L201-T204 PolarHBondContact O-N 3.18Å; L201-T204 PolarHBondContact O-OG1 3.45Å
205I84.9Confident86.3Confident75 Ų7577.7 Ų77.739%0.38540%0.404SS..Hα-helixtrans-100.3-9.6-173.1-59.1170.9000111.9L201 L207 R210L201-I205 HydrophobicContact CD2-CD1 3.86Å; L201-I205 PolarHBondContact O-N 2.92Å; I205-L207 HydrophobicContact CB-CG 4.36Å; I205-L207 HydrophobicContact CG2-CG 4.29Å; I205-L207 PolarHBondContact O-N 3.41Å; I205-R210 VanDerWaalsContact O-CD 3.32Å; I205-R210 WeakPolarHBondContact O-CD 3.32Å; I205-R210 PolarHBondContact O-NE 2.81Å
206T81.9Confident86Confident51 Ų5176.7 Ų76.731%0.31340%0.4SS..  trans50.940.6-171.9620000112.4N202 L209 R210N202-T206 VanDerWaalsContact O-CA 3.28Å; N202-T206 WeakPolarHBondContact O-CA 3.24Å; N202-T206 PolarHBondContact O-N 2.85Å; T206-L209 WeakPolarHBondContact O-CB 3.43Å; T206-L209 PolarHBondContact O-N 3.11Å; T206-R210 PolarHBondContact O-N 2.93Å
207L77.1Confident85.9Confident13 Ų1378.3 Ų78.37%0.06841%0.413CS..Hα-helixtrans-40-42.6175.2-88.1156.9000113.9L201 N202 I205 L209 R210 V211 I219L201-L207 HydrophobicContact CB-CD1 3.74Å; N202-L207 VanDerWaalsContact OD1-CB 3.28Å; N202-L207 WeakPolarHBondContact OD1-CB 3.14Å; I205-L207 HydrophobicContact CB-CG 4.36Å; I205-L207 HydrophobicContact CG2-CG 4.29Å; I205-L207 PolarHBondContact O-N 3.41Å; L207-L209 PolarHBondContact O-N 3.07Å; L207-R210 PolarHBondContact O-N 2.75Å; L207-V211 HydrophobicContact CD2-CB 4.35Å; L207-V211 HydrophobicContact CD2-CG2 3.87Å; L207-V211 PolarHBondContact O-N 3.04Å; L207-I219 HydrophobicContact CD2-CD1 3.92Å
208P77.4Confident85.9Confident60 Ų6081 Ų8139%0.3943%0.425SS..Hα-helixtrans-58.6-28.2176.8-27.537.7000115.9N202 R216N202-P208 HydrophobicContact CB-CG 4.49Å; P208-R216 VanDerWaalsContact CA-NH1 3.34Å
209L77.2Confident85.9Confident149 Ų14983 Ų8378%0.7843%0.434SS*.Hα-helixtrans-90.5-27.4-179.9-64.1174.2000112.3T206 L207T206-L209 WeakPolarHBondContact O-CB 3.43Å; T206-L209 PolarHBondContact O-N 3.11Å; L207-L209 PolarHBondContact O-N 3.07Å
210R79.4Confident86.1Confident184 Ų18482.7 Ų82.769%0.69443%0.432SS*.Hα-helixtrans-98.5-24.6-170.8-63-172-175.7-164.9-2.1114.3I205 T206 L207I205-R210 VanDerWaalsContact O-CD 3.32Å; I205-R210 WeakPolarHBondContact O-CD 3.32Å; I205-R210 PolarHBondContact O-NE 2.81Å; T206-R210 PolarHBondContact O-N 2.93Å; L207-R210 PolarHBondContact O-N 2.75Å
211V82.3Confident86.2Confident42 Ų4280.9 Ų80.926%0.25543%0.426SS..SBendtrans-126138.7-166.7-179.30000110.4L207 R216 I219L207-V211 HydrophobicContact CD2-CB 4.35Å; L207-V211 HydrophobicContact CD2-CG2 3.87Å; L207-V211 PolarHBondContact O-N 3.04Å; V211-R216 HydrophobicContact CB-CG 3.98Å; V211-R216 HydrophobicContact CG1-CG 3.95Å; V211-R216 PolarHBondContact O-NE 3.15Å; V211-I219 HydrophobicContact CG1-CD1 4.43Å
212S88.6Confident86.4Confident69 Ų6985 Ų8548%0.48344%0.441SS..  trans-57.2158.4177.974.60000111.9A214 S215 R216S212-A214 VanDerWaalsContact C-N 3.29Å; S212-A214 PolarHBondContact O-N 3.4Å; S212-S215 PolarHBondContact O-N 2.68Å; S212-S215 PolarHBondContact OG-N 3.05Å; S212-S215 PolarHBondContact OG-OG 3.25Å; S212-R216 WeakPolarHBondContact O-CG 3.22Å; S212-R216 PolarHBondContact O-N 2.91Å
213I87.6Confident86.7Confident124 Ų12484.4 Ų84.464%0.63644%0.438SS*.Hα-helixtrans-54.7-46.4177.2-64.1156.8000111S215 R216 T217I213-S215 PolarHBondContact O-N 2.99Å; I213-R216 PolarHBondContact O-N 3.4Å; I213-T217 PolarHBondContact O-N 3.47Å; I213-T217 PolarHBondContact O-OG1 2.97Å; I213-T217 VanDerWaalsContact O-OG1 3.11Å
214A89.2Confident86.9Confident64 Ų6476.7 Ų76.753%0.52941%0.414SS..Hα-helixtrans-61-47.5-178.300000112.4S212 R216 T217 L218S212-A214 VanDerWaalsContact C-N 3.29Å; S212-A214 PolarHBondContact O-N 3.4Å; A214-R216 VanDerWaalsContact C-N 3.32Å; A214-R216 PolarHBondContact O-N 3.47Å; A214-T217 PolarHBondContact O-N 2.96Å; A214-L218 WeakPolarHBondContact O-CG 3.31Å; A214-L218 PolarHBondContact O-N 2.99Å
215S88.6Confident87Confident53 Ų5377.2 Ų77.237%0.37141%0.413SS..Hα-helixtrans-65.7-34.8178.9-660000112.1S212 I213 L218 I219S212-S215 PolarHBondContact O-N 2.68Å; S212-S215 PolarHBondContact OG-N 3.05Å; S212-S215 PolarHBondContact OG-OG 3.25Å; I213-S215 PolarHBondContact O-N 2.99Å; S215-L218 PolarHBondContact O-N 3.42Å; S215-I219 VanDerWaalsContact O-CG1 3.25Å; S215-I219 WeakPolarHBondContact O-CG1 3.27Å; S215-I219 PolarHBondContact O-N 3.04Å
216R87.4Confident87.3Confident56 Ų5678.7 Ų78.721%0.21142%0.417CS..Hα-helixtrans-64.2-44.9173-71.1-177.5-62.8167.2-4.9112.1P208 V211 S212 I213 A214 L218 I219 Y220P208-R216 VanDerWaalsContact CA-NH1 3.34Å; V211-R216 HydrophobicContact CB-CG 3.98Å; V211-R216 HydrophobicContact CG1-CG 3.95Å; V211-R216 PolarHBondContact O-NE 3.15Å; S212-R216 WeakPolarHBondContact O-CG 3.22Å; S212-R216 PolarHBondContact O-N 2.91Å; I213-R216 PolarHBondContact O-N 3.4Å; A214-R216 VanDerWaalsContact C-N 3.32Å; A214-R216 PolarHBondContact O-N 3.47Å; R216-L218 VanDerWaalsContact C-N 3.3Å; R216-L218 PolarHBondContact O-N 3.3Å; R216-I219 PolarHBondContact O-N 3.26Å; R216-Y220 HydrophobicContact CB-CE2 4.3Å; R216-Y220 WeakPolarHBondContact O-CD1 3.34Å; R216-Y220 PolarHBondContact O-N 2.77Å
217T90.1Very high87.6Confident77 Ų7777 Ų7747%0.47241%0.41SS..Hα-helixtrans-57.6-46.3175.4-56.70000110.6I213 A214 I219 Y220 T221I213-T217 PolarHBondContact O-N 3.47Å; I213-T217 PolarHBondContact O-OG1 2.97Å; I213-T217 VanDerWaalsContact O-OG1 3.11Å; A214-T217 PolarHBondContact O-N 2.96Å; T217-I219 PolarHBondContact O-N 2.65Å; T217-Y220 PolarHBondContact O-N 3.21Å; T217-T221 WeakPolarHBondContact O-CB 3.08Å; T217-T221 PolarHBondContact O-N 3.38Å; T217-T221 PolarHBondContact O-OG1 3.47Å
218L92.1Very high88.2Confident124 Ų12477.8 Ų77.865%0.64941%0.414SS*.Hα-helixtrans-59.4-45.4176.6-71.7175.4000112.5A214 S215 R216 T221 F222A214-L218 WeakPolarHBondContact O-CG 3.31Å; A214-L218 PolarHBondContact O-N 2.99Å; S215-L218 PolarHBondContact O-N 3.42Å; R216-L218 VanDerWaalsContact C-N 3.3Å; R216-L218 PolarHBondContact O-N 3.3Å; L218-T221 PolarHBondContact O-N 3.46Å; L218-F222 VanDerWaalsContact O-CB 3.25Å; L218-F222 WeakPolarHBondContact O-CB 3.35Å; L218-F222 PolarHBondContact O-N 3Å
219I90.6Very high88.6Confident58 Ų5877.3 Ų77.330%0.29741%0.406SS..Hα-helixtrans-62.2-46.3178.1-68.6164.4000110.9L207 V211 S215 R216 T217 F222 I223L207-I219 HydrophobicContact CD2-CD1 3.92Å; V211-I219 HydrophobicContact CG1-CD1 4.43Å; S215-I219 VanDerWaalsContact O-CG1 3.25Å; S215-I219 WeakPolarHBondContact O-CG1 3.27Å; S215-I219 PolarHBondContact O-N 3.04Å; R216-I219 PolarHBondContact O-N 3.26Å; T217-I219 PolarHBondContact O-N 2.65Å; I219-F222 PolarHBondContact O-N 3.01Å; I219-I223 HydrophobicContact CG2-CD1 3.77Å; I219-I223 HydrophobicContact CG2-CG1 4.46Å; I219-I223 WeakPolarHBondContact O-CG1 2.97Å; I219-I223 PolarHBondContact O-N 2.77Å
220Y92.6Very high89Confident57 Ų5775.2 Ų75.222%0.22439%0.391CS..Hα-helixtrans-66.3-41.3-178.7-62.1-11.5000112.2I198 N202 R216 T217 S224I198-Y220 HydrophobicContact CB-CD1 4.35Å; I198-Y220 HydrophobicContact CD1-CD1 4.16Å; I198-Y220 HydrophobicContact CD1-CG 4.11Å; I198-Y220 HydrophobicContact CG1-CD1 3.93Å; I198-Y220 HydrophobicContact CG1-CG 4.39Å; I198-Y220 HydrophobicContact CG2-CD1 3.52Å; I198-Y220 HydrophobicContact CG2-CD2 4.4Å; I198-Y220 HydrophobicContact CG2-CE1 3.47Å; I198-Y220 VanDerWaalsContact CG2-CE1 3.47Å; I198-Y220 HydrophobicContact CG2-CE2 4.34Å; I198-Y220 HydrophobicContact CG2-CG 4.02Å; N202-Y220 VanDerWaalsContact CG-OH 3.31Å; N202-Y220 PolarHBondContact ND2-OH 2.76Å; N202-Y220 PolarHBondContact OD1-OH 3.03Å; R216-Y220 HydrophobicContact CB-CE2 4.3Å; R216-Y220 WeakPolarHBondContact O-CD1 3.34Å; R216-Y220 PolarHBondContact O-N 2.77Å; T217-Y220 PolarHBondContact O-N 3.21Å; Y220-S224 WeakPolarHBondContact O-CB 3.29Å; Y220-S224 PolarHBondContact O-N 3.45Å; Y220-S224 VanDerWaalsContact O-N 3.07Å; Y220-S224 PolarHBondContact O-OG 3.46Å
221T91.8Very high89.4Confident69 Ų6967.3 Ų67.342%0.42336%0.362SS..Hα-helixtrans-62.9-44.4173.5-60.80000110.4T217 L218 S224 L225T217-T221 WeakPolarHBondContact O-CB 3.08Å; T217-T221 PolarHBondContact O-N 3.38Å; T217-T221 PolarHBondContact O-OG1 3.47Å; L218-T221 PolarHBondContact O-N 3.46Å; T221-S224 PolarHBondContact O-N 3.22Å; T221-L225 HydrophobicContact CG2-CD1 3.77Å; T221-L225 HydrophobicContact CG2-CG 4.17Å; T221-L225 WeakPolarHBondContact O-CB 3.37Å; T221-L225 VanDerWaalsContact O-CG 3.28Å; T221-L225 WeakPolarHBondContact O-CG 3.4Å; T221-L225 PolarHBondContact O-N 3.28Å
222F93.3Very high89.5Confident134 Ų13465.8 Ų65.859%0.58835%0.352SS*.Hα-helixtrans-60.2-48.8177.7-179.4-96.8000112L218 I219 S224 L225 F226L218-F222 VanDerWaalsContact O-CB 3.25Å; L218-F222 WeakPolarHBondContact O-CB 3.35Å; L218-F222 PolarHBondContact O-N 3Å; I219-F222 PolarHBondContact O-N 3.01Å; F222-S224 VanDerWaalsContact C-N 3.29Å; F222-S224 PolarHBondContact O-N 3.28Å; F222-L225 PolarHBondContact O-N 3.17Å; F222-F226 HydrophobicContact CZ-CD2 4.22Å; F222-F226 WeakPolarHBondContact O-CB 3.33Å; F222-F226 PolarHBondContact O-N 2.85Å
223I93.2Very high89.3Confident28 Ų2864.6 Ų64.614%0.14434%0.338CS..Hα-helixtrans-57.9-44.6177.6-68.4163.7000110.8T197 I198 L201 I219 F226 G227T197-I223 HydrophobicContact CG2-CG2 4.24Å; I198-I223 HydrophobicContact CD1-CB 4.43Å; I198-I223 HydrophobicContact CD1-CG2 4.38Å; I198-I223 HydrophobicContact CG1-CB 4.28Å; I198-I223 HydrophobicContact CG1-CD1 3.78Å; I198-I223 HydrophobicContact CG1-CG2 4.1Å; L201-I223 HydrophobicContact CD1-CD1 3.47Å; L201-I223 VanDerWaalsContact CD1-CD1 3.47Å; I219-I223 HydrophobicContact CG2-CD1 3.77Å; I219-I223 HydrophobicContact CG2-CG1 4.46Å; I219-I223 WeakPolarHBondContact O-CG1 2.97Å; I219-I223 PolarHBondContact O-N 2.77Å; I223-F226 PolarHBondContact O-N 3.4Å; I223-G227 PolarHBondContact O-N 2.81Å
224S91.4Very high89.2Confident32 Ų3265.2 Ų65.222%0.22434%0.34CS..Hα-helixtrans-67-43.9-179.1-54.10000112.2Y220 T221 F222 G227 L228Y220-S224 WeakPolarHBondContact O-CB 3.29Å; Y220-S224 PolarHBondContact O-N 3.45Å; Y220-S224 VanDerWaalsContact O-N 3.07Å; Y220-S224 PolarHBondContact O-OG 3.46Å; T221-S224 PolarHBondContact O-N 3.22Å; F222-S224 VanDerWaalsContact C-N 3.29Å; F222-S224 PolarHBondContact O-N 3.28Å; S224-G227 PolarHBondContact O-N 3.07Å; S224-L228 WeakPolarHBondContact O-CG 3.26Å; S224-L228 PolarHBondContact O-N 3.28Å
225L90.2Very high89Confident103 Ų10362.9 Ų62.954%0.53932%0.319SS..Hα-helixtrans-65.3-40.6176.4-71.6176.8000111.6T221 F222 L228 F229T221-L225 HydrophobicContact CG2-CD1 3.77Å; T221-L225 HydrophobicContact CG2-CG 4.17Å; T221-L225 WeakPolarHBondContact O-CB 3.37Å; T221-L225 VanDerWaalsContact O-CG 3.28Å; T221-L225 WeakPolarHBondContact O-CG 3.4Å; T221-L225 PolarHBondContact O-N 3.28Å; F222-L225 PolarHBondContact O-N 3.17Å; L225-L228 PolarHBondContact O-N 3.47Å; L225-F229 WeakPolarHBondContact O-CB 3.47Å; L225-F229 PolarHBondContact O-N 2.74Å
226F90.2Very high88.7Confident105 Ų10561.1 Ų61.146%0.46131%0.305SS..Hα-helixtrans-63.4-47.3176.3-167.7-108.1000110.5F222 I223 L228 F229 F230F222-F226 HydrophobicContact CZ-CD2 4.22Å; F222-F226 WeakPolarHBondContact O-CB 3.33Å; F222-F226 PolarHBondContact O-N 2.85Å; I223-F226 PolarHBondContact O-N 3.4Å; F226-L228 PolarHBondContact O-N 2.77Å; F226-F229 WeakPolarHBondContact O-CB 3.3Å; F226-F229 PolarHBondContact O-N 2.85Å; F226-F229 VanDerWaalsContact O-N 3.09Å; F226-F230 AromaticContact CD1-CD2 3.78Å; F226-F230 HydrophobicContact CD1-CD2 3.78Å; F226-F230 AromaticContact CD1-CE2 3.49Å; F226-F230 HydrophobicContact CD1-CE2 3.49Å; F226-F230 VanDerWaalsContact CD1-CE2 3.49Å; F226-F230 AromaticContact CD2-CE2 3.85Å; F226-F230 HydrophobicContact CD2-CE2 3.85Å; F226-F230 AromaticContact CE1-CD2 3.81Å; F226-F230 HydrophobicContact CE1-CD2 3.81Å; F226-F230 AromaticContact CE1-CE2 3.1Å; F226-F230 HydrophobicContact CE1-CE2 3.1Å; F226-F230 AromaticContact CE1-CZ 3.88Å; F226-F230 HydrophobicContact CE1-CZ 3.88Å; F226-F230 AromaticContact CE2-CE2 3.5Å; F226-F230 HydrophobicContact CE2-CE2 3.5Å; F226-F230 VanDerWaalsContact CE2-CE2 3.5Å; F226-F230 HydrophobicContact CE2-CZ 4.13Å; F226-F230 HydrophobicContact CG-CD2 4.18Å; F226-F230 AromaticContact CG-CE2 3.87Å; F226-F230 HydrophobicContact CG-CE2 3.87Å; F226-F230 HydrophobicContact CZ-CD2 4.22Å; F226-F230 AromaticContact CZ-CE2 3.14Å; F226-F230 HydrophobicContact CZ-CE2 3.14Å; F226-F230 AromaticContact CZ-CZ 3.63Å; F226-F230 HydrophobicContact CZ-CZ 3.63Å; F226-F230 VanDerWaalsContact O-CD2 3.25Å; F226-F230 WeakPolarHBondContact O-CD2 3.5Å; F226-F230 PolarHBondContact O-N 3.04Å
227G90.1Very high88.5Confident17 Ų1761.4 Ų61.418%0.17532%0.32CS..Hα-helixtrans-56.5-48.5174.800000112.7S190 I223 S224 F229 F230 Q231S190-G227 PolarHBondContact OG-O 3.41Å; S190-G227 VanDerWaalsContact OG-O 3.06Å; I223-G227 PolarHBondContact O-N 2.81Å; S224-G227 PolarHBondContact O-N 3.07Å; G227-F229 VanDerWaalsContact C-N 3.29Å; G227-F229 PolarHBondContact O-N 2.88Å; G227-F230 PolarHBondContact O-N 3.25Å; G227-Q231 WeakPolarHBondContact O-CB 3.4Å; G227-Q231 PolarHBondContact O-N 2.69Å
228L88.2Confident88.2Confident28 Ų2862.1 Ų62.115%0.14731%0.314CS..Hα-helixtrans-60.7-36.7174.7-71.8176.1000112.7I187 S190 L191 S224 L225 F226 Q231 H232I187-L228 HydrophobicContact CG2-CD2 4.01Å; S190-L228 PolarHBondContact OG-N 3.25Å; L191-L228 HydrophobicContact CD2-CD1 4.05Å; L191-L228 HydrophobicContact CD2-CD2 4.11Å; L191-L228 HydrophobicContact CD2-CG 4.11Å; L191-L228 HydrophobicContact CG-CD2 4.13Å; S224-L228 WeakPolarHBondContact O-CG 3.26Å; S224-L228 PolarHBondContact O-N 3.28Å; L225-L228 PolarHBondContact O-N 3.47Å; F226-L228 PolarHBondContact O-N 2.77Å; L228-Q231 PolarHBondContact O-N 3.48Å; L228-Q231 PolarHBondContact O-OE1 2.84Å; L228-H232 WeakPolarHBondContact O-CB 3.1Å; L228-H232 PolarHBondContact O-N 3.41Å
229F85.6Confident87.8Confident50 Ų5056.7 Ų56.722%0.21929%0.285CS..Hα-helixtrans-64.2-47175.4176.4-94.5000111.8L225 F226 G227 Q231 H232 Q233 F395 F398L225-F229 WeakPolarHBondContact O-CB 3.47Å; L225-F229 PolarHBondContact O-N 2.74Å; F226-F229 WeakPolarHBondContact O-CB 3.3Å; F226-F229 PolarHBondContact O-N 2.85Å; F226-F229 VanDerWaalsContact O-N 3.09Å; G227-F229 VanDerWaalsContact C-N 3.29Å; G227-F229 PolarHBondContact O-N 2.88Å; F229-Q231 PolarHBondContact O-N 2.86Å; F229-H232 WeakPolarHBondContact O-CB 3.41Å; F229-H232 PolarHBondContact O-N 3Å; F229-Q233 HydrophobicContact CD1-CG 4.39Å; F229-Q233 HydrophobicContact CE1-CG 3.96Å; F229-Q233 HydrophobicContact CE2-CG 4.44Å; F229-Q233 HydrophobicContact CZ-CG 3.99Å; F229-Q233 WeakPolarHBondContact O-CG 3.4Å; F229-Q233 PolarHBondContact O-N 2.63Å; F229-F395 HydrophobicContact CD2-CD1 4.45Å; F229-F395 AromaticContact CD2-CE1 3.9Å; F229-F395 HydrophobicContact CD2-CE1 3.9Å; F229-F395 HydrophobicContact CD2-CZ 4.48Å; F229-F395 HydrophobicContact CE2-CD1 4.41Å; F229-F395 HydrophobicContact CE2-CE1 4.31Å; F229-F398 HydrophobicContact CE2-CB 4.25Å; F229-F398 AromaticContact CE2-CD2 3.92Å; F229-F398 HydrophobicContact CE2-CD2 3.92Å; F229-F398 HydrophobicContact CE2-CG 4.23Å; F229-F398 HydrophobicContact CZ-CB 3.84Å; F229-F398 HydrophobicContact CZ-CD1 4.17Å; F229-F398 AromaticContact CZ-CD2 3.56Å; F229-F398 HydrophobicContact CZ-CD2 3.56Å; F229-F398 HydrophobicContact CZ-CE2 4.13Å; F229-F398 AromaticContact CZ-CG 3.59Å; F229-F398 HydrophobicContact CZ-CG 3.59Å
230F86.6Confident87.6Confident106 Ų10658.5 Ų58.547%0.46529%0.288SS..Hα-helixtrans-61.9-44.3175-82.4-80.8000112.4F226 G227 H232 Q233 M234F226-F230 AromaticContact CD1-CD2 3.78Å; F226-F230 HydrophobicContact CD1-CD2 3.78Å; F226-F230 AromaticContact CD1-CE2 3.49Å; F226-F230 HydrophobicContact CD1-CE2 3.49Å; F226-F230 VanDerWaalsContact CD1-CE2 3.49Å; F226-F230 AromaticContact CD2-CE2 3.85Å; F226-F230 HydrophobicContact CD2-CE2 3.85Å; F226-F230 AromaticContact CE1-CD2 3.81Å; F226-F230 HydrophobicContact CE1-CD2 3.81Å; F226-F230 AromaticContact CE1-CE2 3.1Å; F226-F230 HydrophobicContact CE1-CE2 3.1Å; F226-F230 AromaticContact CE1-CZ 3.88Å; F226-F230 HydrophobicContact CE1-CZ 3.88Å; F226-F230 AromaticContact CE2-CE2 3.5Å; F226-F230 HydrophobicContact CE2-CE2 3.5Å; F226-F230 VanDerWaalsContact CE2-CE2 3.5Å; F226-F230 HydrophobicContact CE2-CZ 4.13Å; F226-F230 HydrophobicContact CG-CD2 4.18Å; F226-F230 AromaticContact CG-CE2 3.87Å; F226-F230 HydrophobicContact CG-CE2 3.87Å; F226-F230 HydrophobicContact CZ-CD2 4.22Å; F226-F230 AromaticContact CZ-CE2 3.14Å; F226-F230 HydrophobicContact CZ-CE2 3.14Å; F226-F230 AromaticContact CZ-CZ 3.63Å; F226-F230 HydrophobicContact CZ-CZ 3.63Å; F226-F230 VanDerWaalsContact O-CD2 3.25Å; F226-F230 WeakPolarHBondContact O-CD2 3.5Å; F226-F230 PolarHBondContact O-N 3.04Å; G227-F230 PolarHBondContact O-N 3.25Å; F230-H232 VanDerWaalsContact C-N 3.26Å; F230-H232 PolarHBondContact O-N 2.92Å; F230-Q233 PolarHBondContact O-N 2.97Å; F230-M234 WeakPolarHBondContact O-CG 3.3Å; F230-M234 PolarHBondContact O-N 2.73Å
231Q88.6Confident87.3Confident18 Ų1861.6 Ų61.68%0.08430%0.3CS..Hα-helixtrans-55.7-45.9175.4173.9-84.9-34.100110.8S186 G227 L228 F229 Q233 M234 I235S186-Q231 PolarHBondContact OG-NE2 3.07Å; G227-Q231 WeakPolarHBondContact O-CB 3.4Å; G227-Q231 PolarHBondContact O-N 2.69Å; L228-Q231 PolarHBondContact O-N 3.48Å; L228-Q231 PolarHBondContact O-OE1 2.84Å; F229-Q231 PolarHBondContact O-N 2.86Å; Q231-Q233 PolarHBondContact O-N 3.12Å; Q231-M234 PolarHBondContact O-N 3.41Å; Q231-I235 WeakPolarHBondContact O-CG1 3.48Å; Q231-I235 PolarHBondContact O-N 2.91Å
232H83Confident87.2Confident9 Ų958.5 Ų58.54%0.04228%0.281CS..Hα-helixtrans-60.7-45.6177.7-17957000112.2L228 F229 F230 M234 I235 L236 F395L228-H232 WeakPolarHBondContact O-CB 3.1Å; L228-H232 PolarHBondContact O-N 3.41Å; F229-H232 WeakPolarHBondContact O-CB 3.41Å; F229-H232 PolarHBondContact O-N 3Å; F230-H232 VanDerWaalsContact C-N 3.26Å; F230-H232 PolarHBondContact O-N 2.92Å; H232-M234 PolarHBondContact O-N 3.21Å; H232-I235 PolarHBondContact O-N 3.43Å; H232-L236 VanDerWaalsContact NE2-CD1 3.29Å; H232-L236 WeakPolarHBondContact NE2-CD1 3.47Å; H232-L236 WeakPolarHBondContact O-CB 3.22Å; H232-L236 WeakPolarHBondContact O-CG 3.34Å; H232-L236 PolarHBondContact O-N 3.36Å; H232-F395 AromaticContact CD2-CD1 3.89Å; H232-F395 AromaticContact CD2-CE1 3.75Å
233Q84.1Confident87Confident44 Ų4452.3 Ų52.321%0.20625%0.254CS..Hα-helixtrans-61.3-42177.7-68-55.5-32.500112.5F229 F230 Q231 L236 A237 F398F229-Q233 HydrophobicContact CD1-CG 4.39Å; F229-Q233 HydrophobicContact CE1-CG 3.96Å; F229-Q233 HydrophobicContact CE2-CG 4.44Å; F229-Q233 HydrophobicContact CZ-CG 3.99Å; F229-Q233 WeakPolarHBondContact O-CG 3.4Å; F229-Q233 PolarHBondContact O-N 2.63Å; F230-Q233 PolarHBondContact O-N 2.97Å; Q231-Q233 PolarHBondContact O-N 3.12Å; Q233-L236 PolarHBondContact O-N 3.3Å; Q233-A237 WeakPolarHBondContact O-CB 3.42Å; Q233-A237 PolarHBondContact O-N 2.99Å; Q233-F398 VanDerWaalsContact NE2-CB 3.27Å; Q233-F398 PolarHBondContact OE1-O 3.11Å
234M85.8Confident86.8Confident137 Ų13752.3 Ų52.368%0.67525%0.254SS*.Hα-helixtrans-64-44.5176.5-70.1-61.8-65.600112.1F230 Q231 H232 A237 W238F230-M234 WeakPolarHBondContact O-CG 3.3Å; F230-M234 PolarHBondContact O-N 2.73Å; Q231-M234 PolarHBondContact O-N 3.41Å; H232-M234 PolarHBondContact O-N 3.21Å; M234-A237 PolarHBondContact O-N 3.33Å; M234-W238 WeakPolarHBondContact O-CB 3.23Å; M234-W238 PolarHBondContact O-N 2.82Å
235I85.7Confident86.8Confident16 Ų1655.7 Ų55.78%0.08226%0.262CS..Hα-helixtrans-66.2-39.1177-67.9-58.7000111.4L182 T183 Q231 H232 W238 R239L182-I235 HydrophobicContact CD2-CD1 4.3Å; L182-I235 HydrophobicContact CG-CD1 4.09Å; T183-I235 HydrophobicContact CG2-CG2 4.32Å; Q231-I235 WeakPolarHBondContact O-CG1 3.48Å; Q231-I235 PolarHBondContact O-N 2.91Å; H232-I235 PolarHBondContact O-N 3.43Å; I235-W238 PolarHBondContact O-N 2.77Å; I235-R239 HydrophobicContact CG2-CG 4.33Å; I235-R239 WeakPolarHBondContact O-CB 3.26Å; I235-R239 WeakPolarHBondContact O-CG 3.15Å; I235-R239 PolarHBondContact O-N 2.73Å
236L81.4Confident86.9Confident15 Ų1550.8 Ų50.88%0.07924%0.236CC..Hα-helixtrans-61.8-48.1175.1-82.3178.2000112.1H232 Q233 W238 R239 R240 T379H232-L236 VanDerWaalsContact NE2-CD1 3.29Å; H232-L236 WeakPolarHBondContact NE2-CD1 3.47Å; H232-L236 WeakPolarHBondContact O-CB 3.22Å; H232-L236 WeakPolarHBondContact O-CG 3.34Å; H232-L236 PolarHBondContact O-N 3.36Å; Q233-L236 PolarHBondContact O-N 3.3Å; L236-W238 VanDerWaalsContact C-N 3.28Å; L236-W238 PolarHBondContact O-N 3.45Å; L236-R239 PolarHBondContact O-N 3.09Å; L236-R240 WeakPolarHBondContact O-CB 3.17Å; L236-R240 PolarHBondContact O-N 3.12Å; L236-T379 HydrophobicContact CD2-CG2 3.4Å; L236-T379 HydrophobicContact CG-CG2 4.43Å
237A83.4Confident87.1Confident63 Ų6345.8 Ų45.852%0.52121%0.214SC..Hα-helixtrans-59.5-41.7177.100000111.3Q233 M234 R240 Y241Q233-A237 WeakPolarHBondContact O-CB 3.42Å; Q233-A237 PolarHBondContact O-N 2.99Å; M234-A237 PolarHBondContact O-N 3.33Å; A237-R240 PolarHBondContact O-N 3.26Å; A237-Y241 PolarHBondContact O-N 2.97Å
238W84.5Confident87.2Confident91 Ų9147.5 Ų47.535%0.34522%0.218SC..Hα-helixtrans-64.3-45.7175.6-176.7-103.1000112.8P173 L174 M234 I235 L236 Y241 C242P173-W238 HydrophobicContact CG-CH2 4.24Å; P173-W238 HydrophobicContact CG-CZ2 3.96Å; L174-W238 HydrophobicContact CD1-CZ2 3.99Å; L174-W238 HydrophobicContact CG-CZ2 4.47Å; M234-W238 WeakPolarHBondContact O-CB 3.23Å; M234-W238 PolarHBondContact O-N 2.82Å; I235-W238 PolarHBondContact O-N 2.77Å; L236-W238 VanDerWaalsContact C-N 3.28Å; L236-W238 PolarHBondContact O-N 3.45Å; W238-Y241 HydrophobicContact CE3-CD1 4.43Å; W238-Y241 HydrophobicContact CZ3-CD1 4.28Å; W238-Y241 WeakPolarHBondContact O-CB 3.37Å; W238-Y241 PolarHBondContact O-N 3.44Å; W238-C242 PolarHBondContact O-N 3.37Å; W238-C242 PolarHBondContact O-SG 3.42Å; W238-C242 VanDerWaalsContact O-SG 3.4Å
239R83.8Confident87.4Confident11 Ų1146.2 Ų46.24%0.04221%0.211CC..Hα-helixtrans-61.3-44.7176.4-74.7-179.4-175.8-170.51.2111.4T183 I235 L236 Y241 C242 C243 L376 T379T183-R239 PolarHBondContact OG1-NH2 3.5Å; I235-R239 HydrophobicContact CG2-CG 4.33Å; I235-R239 WeakPolarHBondContact O-CB 3.26Å; I235-R239 WeakPolarHBondContact O-CG 3.15Å; I235-R239 PolarHBondContact O-N 2.73Å; L236-R239 PolarHBondContact O-N 3.09Å; R239-Y241 VanDerWaalsContact C-N 3.34Å; R239-Y241 PolarHBondContact O-N 3.36Å; R239-C242 PolarHBondContact O-N 3.1Å; R239-C243 PolarHBondContact O-N 2.84Å; R239-C243 PolarHBondContact O-SG 2.95Å; R239-L376 PolarHBondContact NH2-O 3.19Å; R239-T379 PolarHBondContact NH1-OG1 2.8Å; R239-T379 VanDerWaalsContact NH1-OG1 3.16Å
240R85.7Confident87.8Confident95 Ų9543.9 Ų43.936%0.35820%0.201SC..Hα-helixtrans-54.9-49.3173.5174.5175177.6-174.9-3111.3L236 A237 C242 C243 L244 A402L236-R240 WeakPolarHBondContact O-CB 3.17Å; L236-R240 PolarHBondContact O-N 3.12Å; A237-R240 PolarHBondContact O-N 3.26Å; R240-C242 PolarHBondContact O-N 2.93Å; R240-C243 PolarHBondContact O-N 3.05Å; R240-L244 HydrophobicContact CG-CD1 4.02Å; R240-L244 VanDerWaalsContact O-CG 3.31Å; R240-L244 WeakPolarHBondContact O-CG 3.36Å; R240-L244 PolarHBondContact O-N 3.46Å; R240-L244 VanDerWaalsContact O-N 3.1Å; R240-A402 HydrophobicContact CG-CB 4.08Å
241Y87.6Confident88.1Confident123 Ų12339 Ų3948%0.48218%0.18SC..Hα-helixtrans-57.9-48176.1170.7-99.1000111.9A237 W238 R239 C243 L244 R245A237-Y241 PolarHBondContact O-N 2.97Å; W238-Y241 HydrophobicContact CE3-CD1 4.43Å; W238-Y241 HydrophobicContact CZ3-CD1 4.28Å; W238-Y241 WeakPolarHBondContact O-CB 3.37Å; W238-Y241 PolarHBondContact O-N 3.44Å; R239-Y241 VanDerWaalsContact C-N 3.34Å; R239-Y241 PolarHBondContact O-N 3.36Å; Y241-C243 PolarHBondContact O-N 2.91Å; Y241-L244 PolarHBondContact O-N 3.37Å; Y241-R245 VanDerWaalsContact O-CB 3.24Å; Y241-R245 WeakPolarHBondContact O-CB 3.35Å; Y241-R245 PolarHBondContact O-N 2.96Å
242C88.2Confident88.2Confident3 Ų339.9 Ų39.92%0.0219%0.188CC..Hα-helixtrans-61.1-42.2178.7-730000112.8W238 R239 R240 R245 A246W238-C242 PolarHBondContact O-N 3.37Å; W238-C242 PolarHBondContact O-SG 3.42Å; W238-C242 VanDerWaalsContact O-SG 3.4Å; R239-C242 PolarHBondContact O-N 3.1Å; R240-C242 PolarHBondContact O-N 2.93Å; C242-R245 PolarHBondContact O-N 3.24Å; C242-A246 WeakPolarHBondContact O-CB 3.24Å; C242-A246 PolarHBondContact O-N 3.15Å
243C88.9Confident88.6Confident4 Ų440.8 Ų40.83%0.02719%0.193CC..Hα-helixtrans-65.1-47179.6-700000111.9R239 R240 Y241 R245 A246 D247 D372 A402 R407R239-C243 PolarHBondContact O-N 2.84Å; R239-C243 PolarHBondContact O-SG 2.95Å; R240-C243 PolarHBondContact O-N 3.05Å; Y241-C243 PolarHBondContact O-N 2.91Å; C243-R245 VanDerWaalsContact C-N 3.32Å; C243-R245 PolarHBondContact O-N 2.79Å; C243-A246 WeakPolarHBondContact O-CB 3.34Å; C243-A246 PolarHBondContact O-N 3.16Å; C243-D247 PolarHBondContact O-N 3.1Å; C243-D372 PolarHBondContact SG-OD2 3.04Å; C243-A402 HydrophobicContact CB-CB 4.09Å; C243-R407 PolarHBondContact O-NH2 3.43Å
244L90Very high89Confident28 Ų2839.7 Ų39.715%0.14719%0.194CC..Hα-helixtrans-63.9-39.5175.9-63.7173000111.3R240 Y241 D247 Q248 A402 R407R240-L244 HydrophobicContact CG-CD1 4.02Å; R240-L244 VanDerWaalsContact O-CG 3.31Å; R240-L244 WeakPolarHBondContact O-CG 3.36Å; R240-L244 PolarHBondContact O-N 3.46Å; R240-L244 VanDerWaalsContact O-N 3.1Å; Y241-L244 PolarHBondContact O-N 3.37Å; L244-D247 PolarHBondContact O-N 3.18Å; L244-Q248 WeakPolarHBondContact O-CG 3.39Å; L244-Q248 PolarHBondContact O-N 2.96Å; L244-Q248 VanDerWaalsContact O-N 3.09Å; L244-A402 HydrophobicContact CD2-CB 4.24Å; L244-A402 HydrophobicContact CG-CB 4.31Å; L244-R407 HydrophobicContact CD2-CG 3.95Å
245R91.2Very high89.3Confident103 Ų10336.7 Ų36.739%0.38918%0.178SC..Hα-helixtrans-68.7-35.5177.7-171.159176.1-179.81.2112.3L172 Y241 C242 C243 D247 Q248 I249L172-R245 HydrophobicContact CD2-CB 3.92Å; L172-R245 HydrophobicContact CD2-CG 3.87Å; Y241-R245 VanDerWaalsContact O-CB 3.24Å; Y241-R245 WeakPolarHBondContact O-CB 3.35Å; Y241-R245 PolarHBondContact O-N 2.96Å; C242-R245 PolarHBondContact O-N 3.24Å; C243-R245 VanDerWaalsContact C-N 3.32Å; C243-R245 PolarHBondContact O-N 2.79Å; R245-D247 VanDerWaalsContact C-N 3.33Å; R245-Q248 PolarHBondContact O-N 2.86Å; R245-I249 HydrophobicContact CG-CD1 4.12Å; R245-I249 VanDerWaalsContact O-CG1 3.26Å; R245-I249 WeakPolarHBondContact O-CG1 3.02Å; R245-I249 PolarHBondContact O-N 3.47Å
246A92.7Very high89.6Confident0 Ų039.8 Ų39.80%020%0.201CC..Hα-helixtrans-59.1-47.7174.600000110.4R157 V160 R161 L172 C242 C243 Q248 I249 V250R157-A246 HydrophobicContact CG-CB 4.31Å; V160-A246 HydrophobicContact CG1-CB 4.15Å; R161-A246 HydrophobicContact CG-CB 4.38Å; L172-A246 HydrophobicContact CD1-CB 4Å; C242-A246 WeakPolarHBondContact O-CB 3.24Å; C242-A246 PolarHBondContact O-N 3.15Å; C243-A246 WeakPolarHBondContact O-CB 3.34Å; C243-A246 PolarHBondContact O-N 3.16Å; A246-Q248 PolarHBondContact O-N 3.32Å; A246-I249 PolarHBondContact O-N 2.87Å; A246-V250 WeakPolarHBondContact O-CG2 2.84Å; A246-V250 PolarHBondContact O-N 3.01Å
247D93.3Very high90.2Very high0 Ų039.5 Ų39.50%020%0.199CC..Hα-helixtrans-61.5-44.8178.5-64.8-20.3000111.9F153 R157 C243 L244 R245 I249 V250 C251 Y265 R407 L411F153-D247 HydrophobicContact CZ-CB 4.27Å; R157-D247 VanDerWaalsContact CD-OD1 3.24Å; R157-D247 WeakPolarHBondContact CD-OD1 3.29Å; C243-D247 PolarHBondContact O-N 3.1Å; L244-D247 PolarHBondContact O-N 3.18Å; R245-D247 VanDerWaalsContact C-N 3.33Å; D247-I249 VanDerWaalsContact C-N 3.3Å; D247-I249 PolarHBondContact O-N 3.37Å; D247-V250 PolarHBondContact O-N 2.56Å; D247-C251 WeakPolarHBondContact O-CB 3.22Å; D247-C251 PolarHBondContact O-N 3.22Å; D247-C251 PolarHBondContact O-SG 2.84Å; D247-Y265 VanDerWaalsContact CG-OH 3.24Å; D247-Y265 PolarHBondContact OD1-OH 3.49Å; D247-Y265 PolarHBondContact OD2-OH 3.31Å; D247-Y265 VanDerWaalsContact OD2-OH 3.04Å; D247-R407 VanDerWaalsContact CG-NH2 3.25Å; D247-R407 IonicContact OD1-CZ 2.83Å; D247-R407 IonicContact OD1-NE 3.9Å; D247-R407 IonicContact OD1-NH2 2.86Å; D247-R407 PolarHBondContact OD1-NH2 3Å; D247-R407 IonicContact OD2-CZ 2.71Å; D247-R407 VanDerWaalsContact OD2-CZ 3.27Å; D247-R407 IonicContact OD2-NE 3.08Å; D247-R407 PolarHBondContact OD2-NE 3.31Å; D247-R407 IonicContact OD2-NH2 3.92Å; D247-R407 PolarHBondContact OD2-NH2 3.17Å; D247-R407 VanDerWaalsContact OD2-NH2 3.07Å; D247-L411 HydrophobicContact CB-CD2 4.07Å
248Q92.5Very high90.7Very high54 Ų5438.6 Ų38.625%0.25218%0.182SC..Hα-helixtrans-57.8-42.2175.5-72.9177.4-6.800112.7L244 R245 A246 C251 S252 L414L244-Q248 WeakPolarHBondContact O-CG 3.39Å; L244-Q248 PolarHBondContact O-N 2.96Å; L244-Q248 VanDerWaalsContact O-N 3.09Å; R245-Q248 PolarHBondContact O-N 2.86Å; A246-Q248 PolarHBondContact O-N 3.32Å; Q248-C251 PolarHBondContact O-N 3Å; Q248-S252 PolarHBondContact O-N 3.36Å; Q248-L414 HydrophobicContact CG-CD1 3.9Å; Q248-L414 HydrophobicContact CG-CD2 4.05Å
249I93.5Very high91.2Very high1 Ų138 Ų381%0.00518%0.184CC..Hα-helixtrans-66.1-40.7177.9-68.7165.9000110.4V160 T166 Q170 L172 R245 A246 D247 S252V160-I249 HydrophobicContact CG1-CB 4.25Å; V160-I249 HydrophobicContact CG1-CD1 4.09Å; V160-I249 HydrophobicContact CG1-CG2 4.11Å; V160-I249 HydrophobicContact CG2-CG2 3.84Å; T166-I249 HydrophobicContact CG2-CG2 3.53Å; Q170-I249 HydrophobicContact CB-CG1 4.3Å; Q170-I249 HydrophobicContact CB-CG2 3.91Å; L172-I249 HydrophobicContact CD2-CD1 4.08Å; L172-I249 HydrophobicContact CG-CD1 4.16Å; R245-I249 HydrophobicContact CG-CD1 4.12Å; R245-I249 VanDerWaalsContact O-CG1 3.26Å; R245-I249 WeakPolarHBondContact O-CG1 3.02Å; R245-I249 PolarHBondContact O-N 3.47Å; A246-I249 PolarHBondContact O-N 2.87Å; D247-I249 VanDerWaalsContact C-N 3.3Å; D247-I249 PolarHBondContact O-N 3.37Å; I249-S252 PolarHBondContact O-N 3.49Å; I249-S252 PolarHBondContact O-OG 2.71Å
250V94.1Very high91.7Very high0 Ų037.5 Ų37.50%018%0.182CC..Hα-helixtrans-67.5-41.8177.7176.30000111.1F153 A156 R157 V160 A246 D247 S252 L253 F257F153-V250 HydrophobicContact CD2-CB 4.25Å; F153-V250 HydrophobicContact CD2-CG1 3.4Å; F153-V250 HydrophobicContact CE2-CB 3.97Å; F153-V250 HydrophobicContact CE2-CG1 3.64Å; F153-V250 HydrophobicContact CG-CG1 4.31Å; A156-V250 HydrophobicContact CB-CG1 3.73Å; A156-V250 HydrophobicContact CB-CG2 4.12Å; R157-V250 VanDerWaalsContact CA-CG2 3.49Å; R157-V250 HydrophobicContact CB-CG2 4.02Å; V160-V250 HydrophobicContact CB-CG2 4.5Å; V160-V250 HydrophobicContact CG2-CG2 3.89Å; A246-V250 WeakPolarHBondContact O-CG2 2.84Å; A246-V250 PolarHBondContact O-N 3.01Å; D247-V250 PolarHBondContact O-N 2.56Å; V250-S252 PolarHBondContact O-N 3.1Å; V250-L253 VanDerWaalsContact O-CB 3.25Å; V250-L253 WeakPolarHBondContact O-CB 2.87Å; V250-L253 PolarHBondContact O-N 3.08Å; V250-L253 VanDerWaalsContact O-N 3.13Å; V250-F257 HydrophobicContact CG1-CB 4.03Å; V250-F257 HydrophobicContact CG1-CD1 3.77Å; V250-F257 HydrophobicContact CG1-CG 4.16Å; V250-F257 WeakPolarHBondContact O-CB 3.18Å
251C92.7Very high92.2Very high4 Ų433 Ų333%0.02717%0.165CC..Hα-helixtrans-67.8-23.6177.6-66.40000113.2D247 Q248 L253 G254 R258 L411D247-C251 WeakPolarHBondContact O-CB 3.22Å; D247-C251 PolarHBondContact O-N 3.22Å; D247-C251 PolarHBondContact O-SG 2.84Å; Q248-C251 PolarHBondContact O-N 3Å; C251-L253 PolarHBondContact O-N 2.79Å; C251-G254 PolarHBondContact O-N 2.77Å; C251-R258 HydrophobicContact CB-CB 4.26Å; C251-L411 WeakPolarHBondContact SG-CD2 3.37Å
252S91Very high92.5Very high37 Ų3728.1 Ų28.126%0.25915%0.147SC..THydrogen-bonded Turntrans-70.5-14.9173.984.50000113.2Q170 Q248 I249 V250 G254Q170-S252 PolarHBondContact OE1-OG 3.09Å; Q248-S252 PolarHBondContact O-N 3.36Å; I249-S252 PolarHBondContact O-N 3.49Å; I249-S252 PolarHBondContact O-OG 2.71Å; V250-S252 PolarHBondContact O-N 3.1Å; S252-G254 VanDerWaalsContact C-N 3.25Å; S252-G254 PolarHBondContact O-N 3Å
253L91.3Very high92.8Very high27 Ų2731.5 Ų31.514%0.14116%0.162CC..THydrogen-bonded Turntrans-71.9-18.3174.5-63.4174.4000113.1H67 F68 T166 V167 V250 C251 F257H67-L253 HydrophobicContact CB-CD1 4.2Å; H67-L253 HydrophobicContact CB-CD2 4.32Å; F68-L253 HydrophobicContact CE2-CD1 4.22Å; F68-L253 HydrophobicContact CZ-CD1 4.03Å; T166-L253 HydrophobicContact CG2-CD1 4.48Å; T166-L253 HydrophobicContact CG2-CD2 3.72Å; T166-L253 HydrophobicContact CG2-CG 4.29Å; V167-L253 HydrophobicContact CG2-CD2 4.34Å; V250-L253 VanDerWaalsContact O-CB 3.25Å; V250-L253 WeakPolarHBondContact O-CB 2.87Å; V250-L253 PolarHBondContact O-N 3.08Å; V250-L253 VanDerWaalsContact O-N 3.13Å; C251-L253 PolarHBondContact O-N 2.79Å; L253-F257 HydrophobicContact CB-CD2 3.53Å; L253-F257 HydrophobicContact CB-CE2 3.81Å; L253-F257 HydrophobicContact CB-CG 4.2Å; L253-F257 HydrophobicContact CD1-CD2 4.39Å; L253-F257 HydrophobicContact CD1-CE2 4.21Å; L253-F257 HydrophobicContact CD1-CZ 4.31Å
254G90.9Very high93.1Very high21 Ų2131.3 Ų31.322%0.21616%0.161CC..  trans149.9164.5175.800000114C251 S252 S256 F257 R258C251-G254 PolarHBondContact O-N 2.77Å; S252-G254 VanDerWaalsContact C-N 3.25Å; S252-G254 PolarHBondContact O-N 3Å; G254-S256 PolarHBondContact O-N 3.45Å; G254-F257 WeakPolarHBondContact O-CB 2.95Å; G254-F257 PolarHBondContact O-N 2.83Å; G254-F257 VanDerWaalsContact O-N 3.1Å; G254-R258 PolarHBondContact O-N 3.3Å
255E91.8Very high93.3Very high74 Ų7430 Ų3035%0.34615%0.154SC..Hα-helixtrans-62.5-30.7-178.8-17758.1-162.700112.6F257 R258 Q259 V416E255-F257 VanDerWaalsContact C-N 3.29Å; E255-F257 PolarHBondContact O-N 3.48Å; E255-R258 PolarHBondContact O-N 2.96Å; E255-R258 VanDerWaalsContact O-N 3.15Å; E255-R258 IonicContact OE1-CZ 2.87Å; E255-R258 IonicContact OE1-NE 2.75Å; E255-R258 PolarHBondContact OE1-NE 2.7Å; E255-R258 VanDerWaalsContact OE1-NE 3.09Å; E255-R258 IonicContact OE1-NH2 3.07Å; E255-R258 PolarHBondContact OE1-NH2 3.42Å; E255-R258 IonicContact OE2-CZ 3.34Å; E255-R258 IonicContact OE2-NE 3.09Å; E255-R258 PolarHBondContact OE2-NE 3.07Å; E255-R258 IonicContact OE2-NH2 2.73Å; E255-Q259 HydrophobicContact CG-CG 4.37Å; E255-Q259 WeakPolarHBondContact O-CG 3.16Å; E255-Q259 PolarHBondContact O-N 3.49Å; E255-Q259 PolarHBondContact OE1-NE2 2.86Å; E255-V416 WeakPolarHBondContact OE2-CG2 3.43Å
256S93.6Very high93.4Very high82 Ų8228 Ų2857%0.57315%0.151SC*.Hα-helixtrans-58.3-40.7174.356.80000112.2G254 G260G254-S256 PolarHBondContact O-N 3.45Å; S256-G260 PolarHBondContact O-N 3.45Å
257F94.1Very high93.5Very high8 Ų828 Ų284%0.03515%0.151CC..Hα-helixtrans-70.2-38.1175.8-76.7-77000111.8V64 H67 K152 F153 A156 V250 L253 G254 E255 G260 G261V64-F257 HydrophobicContact CG2-CE1 4.48Å; H67-F257 AromaticContact CD2-CE2 3.88Å; H67-F257 AromaticContact CD2-CZ 3.68Å; H67-F257 AromaticContact CG-CE2 4Å; H67-F257 AromaticContact NE2-CE2 3.87Å; H67-F257 AromaticContact NE2-CZ 3.99Å; K152-F257 HydrophobicContact CB-CE1 4.46Å; F153-F257 WeakPolarHBondContact CD2-O 3.36Å; A156-F257 HydrophobicContact CB-CD1 4.05Å; A156-F257 HydrophobicContact CB-CE1 3.67Å; V250-F257 HydrophobicContact CG1-CB 4.03Å; V250-F257 HydrophobicContact CG1-CD1 3.77Å; V250-F257 HydrophobicContact CG1-CG 4.16Å; V250-F257 WeakPolarHBondContact O-CB 3.18Å; L253-F257 HydrophobicContact CB-CD2 3.53Å; L253-F257 HydrophobicContact CB-CE2 3.81Å; L253-F257 HydrophobicContact CB-CG 4.2Å; L253-F257 HydrophobicContact CD1-CD2 4.39Å; L253-F257 HydrophobicContact CD1-CE2 4.21Å; L253-F257 HydrophobicContact CD1-CZ 4.31Å; G254-F257 WeakPolarHBondContact O-CB 2.95Å; G254-F257 PolarHBondContact O-N 2.83Å; G254-F257 VanDerWaalsContact O-N 3.1Å; E255-F257 VanDerWaalsContact C-N 3.29Å; E255-F257 PolarHBondContact O-N 3.48Å; F257-G260 PolarHBondContact O-N 3.05Å; F257-G261 PolarHBondContact O-N 3.26Å
258R93.3Very high93.4Very high44 Ų4428.1 Ų28.117%0.16615%0.152CC..Hα-helixtrans-62.2-47.8174.7-169.8179.3771103111.9C251 G254 E255 G260 G261 L262 L411 V416C251-R258 HydrophobicContact CB-CB 4.26Å; G254-R258 PolarHBondContact O-N 3.3Å; E255-R258 PolarHBondContact O-N 2.96Å; E255-R258 VanDerWaalsContact O-N 3.15Å; E255-R258 IonicContact OE1-CZ 2.87Å; E255-R258 IonicContact OE1-NE 2.75Å; E255-R258 PolarHBondContact OE1-NE 2.7Å; E255-R258 VanDerWaalsContact OE1-NE 3.09Å; E255-R258 IonicContact OE1-NH2 3.07Å; E255-R258 PolarHBondContact OE1-NH2 3.42Å; E255-R258 IonicContact OE2-CZ 3.34Å; E255-R258 IonicContact OE2-NE 3.09Å; E255-R258 PolarHBondContact OE2-NE 3.07Å; E255-R258 IonicContact OE2-NH2 2.73Å; R258-G260 VanDerWaalsContact C-N 3.29Å; R258-G260 PolarHBondContact O-N 3.41Å; R258-G261 PolarHBondContact O-N 3Å; R258-G261 VanDerWaalsContact O-N 3.1Å; R258-L262 WeakPolarHBondContact O-CG 3.45Å; R258-L262 PolarHBondContact O-N 2.57Å; R258-L411 WeakPolarHBondContact CD-O 2.94Å; R258-L411 PolarHBondContact NH1-O 2.95Å; R258-L411 VanDerWaalsContact NH1-O 3.14Å; R258-V416 HydrophobicContact CB-CG2 4.37Å; R258-V416 VanDerWaalsContact CD-CG2 3.47Å; R258-V416 HydrophobicContact CG-CG2 4.48Å
259Q94.9Very high93.3Very high80 Ų8027.2 Ų27.237%0.37415%0.148SC..Hα-helixtrans-60.7-40.4175.6-67-60.5-26.900111.5E255 G261 L262 Q263E255-Q259 HydrophobicContact CG-CG 4.37Å; E255-Q259 WeakPolarHBondContact O-CG 3.16Å; E255-Q259 PolarHBondContact O-N 3.49Å; E255-Q259 PolarHBondContact OE1-NE2 2.86Å; Q259-G261 PolarHBondContact O-N 3Å; Q259-L262 PolarHBondContact O-N 3.26Å; Q259-Q263 WeakPolarHBondContact O-CG 3.33Å; Q259-Q263 PolarHBondContact O-N 2.72Å
260G95Very high93.2Very high0 Ų032.7 Ų32.70%017%0.169CC..Hα-helixtrans-57.6-44.3171.200000113.2S149 A150 S256 F257 R258 Q263 Y264S149-G260 VanDerWaalsContact O-CA 3.23Å; S149-G260 WeakPolarHBondContact O-CA 3.07Å; A150-G260 WeakPolarHBondContact CA-O 3.4Å; S256-G260 PolarHBondContact O-N 3.45Å; F257-G260 PolarHBondContact O-N 3.05Å; R258-G260 VanDerWaalsContact C-N 3.29Å; R258-G260 PolarHBondContact O-N 3.41Å; G260-Q263 PolarHBondContact O-N 2.77Å; G260-Y264 WeakPolarHBondContact O-CB 3.43Å; G260-Y264 PolarHBondContact O-N 3.31Å
261G94.6Very high93Very high0 Ų033.2 Ų33.20%017%0.171CC..Hα-helixtrans-65.2-40.1177.400000113.7F153 F257 R258 Q259 Y264 Y265F153-G261 VanDerWaalsContact CD1-CA 3.42Å; F153-G261 VanDerWaalsContact CD2-CA 3.48Å; F257-G261 PolarHBondContact O-N 3.26Å; R258-G261 PolarHBondContact O-N 3Å; R258-G261 VanDerWaalsContact O-N 3.1Å; Q259-G261 PolarHBondContact O-N 3Å; G261-Y264 PolarHBondContact O-N 3.38Å; G261-Y265 WeakPolarHBondContact O-CD2 3.43Å; G261-Y265 PolarHBondContact O-N 2.89Å
262L95.5Very high92.8Very high20 Ų2033 Ų3311%0.10517%0.17CC..Hα-helixtrans-61.9-46.8174-68.7173.3000111.2R258 Q259 Y264 D266 Y408 L411 I412R258-L262 WeakPolarHBondContact O-CG 3.45Å; R258-L262 PolarHBondContact O-N 2.57Å; Q259-L262 PolarHBondContact O-N 3.26Å; L262-Y264 VanDerWaalsContact C-N 3.32Å; L262-Y264 PolarHBondContact O-N 3.32Å; L262-D266 VanDerWaalsContact O-CB 3.32Å; L262-D266 WeakPolarHBondContact O-CB 3.37Å; L262-D266 PolarHBondContact O-N 3.42Å; L262-Y408 HydrophobicContact CB-CE2 4.13Å; L262-Y408 HydrophobicContact CD2-CD2 3.96Å; L262-Y408 HydrophobicContact CD2-CE2 3.85Å; L262-Y408 HydrophobicContact CD2-CG 4.48Å; L262-Y408 WeakPolarHBondContact O-CD2 3.12Å; L262-Y408 WeakPolarHBondContact O-CE2 3.28Å; L262-L411 HydrophobicContact CD2-CB 3.66Å; L262-L411 HydrophobicContact CG-CB 4.28Å; L262-I412 HydrophobicContact CD2-CG1 3.64Å
263Q94.8Very high92.7Very high74 Ų7435.9 Ų35.935%0.34618%0.177SC..Hα-helixtrans-63-38.6176.2-71.1175.70.200112.2S149 A150 Q259 G260 W267S149-Q263 PolarHBondContact OG-OE1 3.45Å; A150-Q263 HydrophobicContact CB-CB 4.08Å; Q259-Q263 WeakPolarHBondContact O-CG 3.33Å; Q259-Q263 PolarHBondContact O-N 2.72Å; G260-Q263 PolarHBondContact O-N 2.77Å; Q263-W267 VanDerWaalsContact O-CB 3.23Å; Q263-W267 WeakPolarHBondContact O-CB 3.24Å; Q263-W267 PolarHBondContact O-N 3.02Å
264Y94.9Very high92.6Very high0 Ų035.2 Ų35.20%017%0.173CC..Hα-helixtrans-63.4-51.3178.3179.4-98.6000112F108 L146 A150 F153 L154 G260 G261 L262 W267 R268 D370F108-Y264 HydrophobicContact CZ-CE2 4.47Å; L146-Y264 HydrophobicContact CD1-CD2 4.06Å; L146-Y264 HydrophobicContact CD2-CD2 4.2Å; L146-Y264 HydrophobicContact CD2-CE2 4.37Å; A150-Y264 HydrophobicContact CB-CD2 4.45Å; F153-Y264 HydrophobicContact CD1-CD1 4.41Å; F153-Y264 HydrophobicContact CD1-CG 4.31Å; F153-Y264 HydrophobicContact CE1-CD1 4.36Å; L154-Y264 HydrophobicContact CB-CD2 4.27Å; L154-Y264 HydrophobicContact CB-CE2 4.26Å; L154-Y264 HydrophobicContact CD1-CE1 4.28Å; L154-Y264 HydrophobicContact CD1-CE2 3.88Å; L154-Y264 HydrophobicContact CD2-CE2 3.84Å; L154-Y264 HydrophobicContact CG-CE2 4.21Å; G260-Y264 WeakPolarHBondContact O-CB 3.43Å; G260-Y264 PolarHBondContact O-N 3.31Å; G261-Y264 PolarHBondContact O-N 3.38Å; L262-Y264 VanDerWaalsContact C-N 3.32Å; L262-Y264 PolarHBondContact O-N 3.32Å; Y264-W267 HydrophobicContact CD2-CE3 4.38Å; Y264-W267 HydrophobicContact CE2-CE3 4.05Å; Y264-W267 HydrophobicContact CE2-CZ3 4.05Å; Y264-W267 WeakPolarHBondContact O-CB 3.29Å; Y264-W267 PolarHBondContact O-N 2.91Å; Y264-R268 WeakPolarHBondContact O-CB 3.05Å; Y264-R268 PolarHBondContact O-N 3.29Å; Y264-D370 WeakPolarHBondContact CE1-OD2 2.71Å; Y264-D370 PolarHBondContact OH-OD1 3.45Å; Y264-D370 PolarHBondContact OH-OD2 2.98Å
265Y93.9Very high92.4Very high0 Ų035 Ų350%017%0.166CC..Hα-helixtrans-71.6-32.9-179-66.8-55.4000112.6F153 R157 D247 G261 R268 I269 R407 L411F153-Y265 AromaticContact CE1-CE2 3.83Å; F153-Y265 HydrophobicContact CE1-CE2 3.83Å; F153-Y265 AromaticContact CE1-CZ 3.91Å; F153-Y265 AromaticContact CZ-CE2 3.93Å; F153-Y265 HydrophobicContact CZ-CE2 3.93Å; R157-Y265 PolarHBondContact NH1-OH 2.83Å; R157-Y265 VanDerWaalsContact NH1-OH 3.15Å; D247-Y265 VanDerWaalsContact CG-OH 3.24Å; D247-Y265 PolarHBondContact OD1-OH 3.49Å; D247-Y265 PolarHBondContact OD2-OH 3.31Å; D247-Y265 VanDerWaalsContact OD2-OH 3.04Å; G261-Y265 WeakPolarHBondContact O-CD2 3.43Å; G261-Y265 PolarHBondContact O-N 2.89Å; Y265-R268 PolarHBondContact O-N 3.18Å; Y265-I269 WeakPolarHBondContact O-CD1 3.34Å; Y265-I269 WeakPolarHBondContact O-CG1 3.16Å; Y265-I269 PolarHBondContact O-N 3.4Å; Y265-R407 HydrophobicContact CD1-CB 4.15Å; Y265-R407 HydrophobicContact CD2-CB 3.89Å; Y265-R407 HydrophobicContact CE1-CB 3.94Å; Y265-R407 HydrophobicContact CE1-CG 4.44Å; Y265-R407 HydrophobicContact CE2-CB 3.64Å; Y265-R407 HydrophobicContact CG-CB 4.17Å; Y265-R407 PolarHBondContact OH-NE 3.12Å; Y265-R407 PolarHBondContact OH-NH1 3.5Å; Y265-R407 PolarHBondContact OH-NH2 2.89Å; Y265-L411 HydrophobicContact CD2-CD1 3.83Å; Y265-L411 HydrophobicContact CE2-CD1 3.77Å; Y265-L411 HydrophobicContact CE2-CG 4.46Å
266D94Very high92Very high61 Ų6131.7 Ų31.733%0.32615%0.151SC..Hα-helixtrans-60.3-50.3169.7174.373.3000111.4L262 R268 I269 R270 Y408L262-D266 VanDerWaalsContact O-CB 3.32Å; L262-D266 WeakPolarHBondContact O-CB 3.37Å; L262-D266 PolarHBondContact O-N 3.42Å; D266-R268 VanDerWaalsContact C-N 3.27Å; D266-R268 PolarHBondContact O-N 3.3Å; D266-I269 PolarHBondContact O-N 3.16Å; D266-R270 WeakPolarHBondContact O-CG 3.39Å; D266-R270 PolarHBondContact O-N 3.03Å; D266-R270 IonicContact OD2-CZ 2.91Å; D266-R270 VanDerWaalsContact OD2-CZ 3.32Å; D266-R270 IonicContact OD2-NE 3.89Å; D266-R270 PolarHBondContact OD2-NE 3.3Å; D266-R270 IonicContact OD2-NH2 2.8Å; D266-R270 PolarHBondContact OD2-NH2 2.83Å; D266-Y408 HydrophobicContact CB-CE2 4.09Å
267W93.7Very high91.6Very high2 Ų231.2 Ų31.21%0.00814%0.14CC..Hα-helixtrans-54.3-46174.3168.586.8000111.1F107 F108 L143 L146 Q263 Y264 I269 R270 W271F107-W267 HydrophobicContact CE2-CH2 4.15Å; F107-W267 AromaticContact CE2-CZ2 3.86Å; F107-W267 HydrophobicContact CE2-CZ2 3.86Å; F107-W267 HydrophobicContact CZ-CH2 4.48Å; F107-W267 HydrophobicContact CZ-CZ2 4.48Å; F108-W267 AromaticContact CE1-CH2 3.49Å; F108-W267 HydrophobicContact CE1-CH2 3.49Å; F108-W267 VanDerWaalsContact CE1-CH2 3.49Å; F108-W267 AromaticContact CE1-CZ2 3.64Å; F108-W267 HydrophobicContact CE1-CZ2 3.64Å; F108-W267 HydrophobicContact CE1-CZ3 4.07Å; F108-W267 AromaticContact CZ-CH2 3.48Å; F108-W267 HydrophobicContact CZ-CH2 3.48Å; F108-W267 VanDerWaalsContact CZ-CH2 3.48Å; F108-W267 HydrophobicContact CZ-CZ2 4.13Å; F108-W267 AromaticContact CZ-CZ3 3.72Å; F108-W267 HydrophobicContact CZ-CZ3 3.72Å; L143-W267 PolarHBondContact O-NE1 2.78Å; L146-W267 HydrophobicContact CD1-CB 4.09Å; L146-W267 HydrophobicContact CD1-CD2 3.5Å; L146-W267 HydrophobicContact CD1-CE3 3.77Å; L146-W267 HydrophobicContact CD1-CG 3.6Å; Q263-W267 VanDerWaalsContact O-CB 3.23Å; Q263-W267 WeakPolarHBondContact O-CB 3.24Å; Q263-W267 PolarHBondContact O-N 3.02Å; Y264-W267 HydrophobicContact CD2-CE3 4.38Å; Y264-W267 HydrophobicContact CE2-CE3 4.05Å; Y264-W267 HydrophobicContact CE2-CZ3 4.05Å; Y264-W267 WeakPolarHBondContact O-CB 3.29Å; Y264-W267 PolarHBondContact O-N 2.91Å; W267-I269 PolarHBondContact O-N 2.97Å; W267-R270 PolarHBondContact O-N 3.3Å; W267-W271 HydrophobicContact CH2-CB 4.47Å; W267-W271 HydrophobicContact CH2-CG 4.31Å; W267-W271 HydrophobicContact CZ2-CB 4.2Å; W267-W271 HydrophobicContact CZ2-CD2 4.07Å; W267-W271 HydrophobicContact CZ2-CE3 4.01Å; W267-W271 HydrophobicContact CZ2-CG 4.14Å; W267-W271 WeakPolarHBondContact O-CB 3.28Å; W267-W271 PolarHBondContact O-N 2.76Å
268R90.7Very high91.2Very high2 Ų231.9 Ų31.91%0.00814%0.142CC..Hα-helixtrans-62.5-43.7-178.4-171.865.4-176.2169.83112.2D86 E87 Y264 Y265 D266 W271 N272 S404D86-R268 PolarHBondContact O-NH1 2.91Å; D86-R268 IonicContact OD1-NH2 2.65Å; E87-R268 IonicContact OE1-NH2 3.56Å; Y264-R268 WeakPolarHBondContact O-CB 3.05Å; Y264-R268 PolarHBondContact O-N 3.29Å; Y265-R268 PolarHBondContact O-N 3.18Å; D266-R268 VanDerWaalsContact C-N 3.27Å; D266-R268 PolarHBondContact O-N 3.3Å; R268-W271 PolarHBondContact O-N 2.92Å; R268-N272 WeakPolarHBondContact O-CB 3.47Å; R268-N272 PolarHBondContact O-N 3.45Å; R268-N272 PolarHBondContact O-ND2 2.99Å; R268-S404 VanDerWaalsContact CG-OG 3.24Å; R268-S404 WeakPolarHBondContact CG-OG 3.49Å
269I90.9Very high90.4Very high34 Ų3430.4 Ų30.417%0.17414%0.137CC..Hα-helixtrans-63-44.1176.5-68162.3000110.1Y265 D266 W267 N272 K273Y265-I269 WeakPolarHBondContact O-CD1 3.34Å; Y265-I269 WeakPolarHBondContact O-CG1 3.16Å; Y265-I269 PolarHBondContact O-N 3.4Å; D266-I269 PolarHBondContact O-N 3.16Å; W267-I269 PolarHBondContact O-N 2.97Å; I269-N272 PolarHBondContact O-N 3.36Å; I269-K273 VanDerWaalsContact O-CB 3.23Å; I269-K273 WeakPolarHBondContact O-CB 3.38Å; I269-K273 PolarHBondContact O-N 2.56Å
270R91.7Very high89.6Confident117 Ų11731.4 Ų31.444%0.44214%0.142SC..Hα-helixtrans-63.3-43.5176.7-72.1-170.1-74.5131.2-3.1112.3L143 D266 W267 K273 F274L143-R270 HydrophobicContact CD2-CB 3.88Å; D266-R270 WeakPolarHBondContact O-CG 3.39Å; D266-R270 PolarHBondContact O-N 3.03Å; D266-R270 IonicContact OD2-CZ 2.91Å; D266-R270 VanDerWaalsContact OD2-CZ 3.32Å; D266-R270 IonicContact OD2-NE 3.89Å; D266-R270 PolarHBondContact OD2-NE 3.3Å; D266-R270 IonicContact OD2-NH2 2.8Å; D266-R270 PolarHBondContact OD2-NH2 2.83Å; W267-R270 PolarHBondContact O-N 3.3Å; R270-K273 PolarHBondContact O-N 2.93Å; R270-F274 WeakPolarHBondContact O-CB 3.48Å; R270-F274 PolarHBondContact O-N 3.33Å
271W89.9Confident88.9Confident10 Ų1033.8 Ų33.84%0.03815%0.153CC..Hα-helixtrans-58.9-50.7174.6179.3-93.6000111.7D86 F107 L143 M144 W267 R268 K273 F274 W275D86-W271 HydrophobicContact CB-CZ2 4.28Å; D86-W271 PolarHBondContact OD2-NE1 3.34Å; F107-W271 HydrophobicContact CE1-CH2 4.37Å; F107-W271 HydrophobicContact CE1-CZ2 4.26Å; F107-W271 HydrophobicContact CE2-CH2 4.5Å; F107-W271 HydrophobicContact CZ-CH2 4.14Å; F107-W271 AromaticContact CZ-CZ2 3.99Å; F107-W271 HydrophobicContact CZ-CZ2 3.99Å; L143-W271 HydrophobicContact CB-CE3 3.82Å; L143-W271 HydrophobicContact CB-CZ3 4.06Å; M144-W271 HydrophobicContact CG-CH2 3.97Å; M144-W271 HydrophobicContact CG-CZ3 3.82Å; W267-W271 HydrophobicContact CH2-CB 4.47Å; W267-W271 HydrophobicContact CH2-CG 4.31Å; W267-W271 HydrophobicContact CZ2-CB 4.2Å; W267-W271 HydrophobicContact CZ2-CD2 4.07Å; W267-W271 HydrophobicContact CZ2-CE3 4.01Å; W267-W271 HydrophobicContact CZ2-CG 4.14Å; W267-W271 WeakPolarHBondContact O-CB 3.28Å; W267-W271 PolarHBondContact O-N 2.76Å; R268-W271 PolarHBondContact O-N 2.92Å; W271-K273 VanDerWaalsContact C-N 3.35Å; W271-K273 PolarHBondContact O-N 3.46Å; W271-F274 WeakPolarHBondContact O-CB 3.22Å; W271-F274 PolarHBondContact O-N 3.41Å; W271-W275 AromaticContact CD1-CD1 3.93Å; W271-W275 AromaticContact CD2-NE1 3.9Å; W271-W275 AromaticContact CE2-CD1 3.56Å; W271-W275 AromaticContact CE2-NE1 3.2Å; W271-W275 AromaticContact CH2-NE1 3.7Å; W271-W275 AromaticContact CZ2-CD1 3.95Å; W271-W275 HydrophobicContact CZ2-CZ2 4.48Å; W271-W275 AromaticContact CZ2-NE1 3.1Å; W271-W275 AromaticContact NE1-CD1 3.48Å; W271-W275 AromaticContact NE1-NE1 3.58Å; W271-W275 PolarHBondContact O-N 2.87Å; W271-W275 VanDerWaalsContact O-N 3.17Å
272N88.1Confident88Confident1 Ų134.8 Ų34.81%0.00516%0.158CC..Hα-helixtrans-62.7-42.3178.8-70.1-13000111.5R268 I269 W275 A276 F359 G363 E365R268-N272 WeakPolarHBondContact O-CB 3.47Å; R268-N272 PolarHBondContact O-N 3.45Å; R268-N272 PolarHBondContact O-ND2 2.99Å; I269-N272 PolarHBondContact O-N 3.36Å; N272-W275 PolarHBondContact O-N 2.95Å; N272-A276 WeakPolarHBondContact O-CB 3.32Å; N272-A276 PolarHBondContact O-N 2.9Å; N272-F359 HydrophobicContact CB-CB 4.18Å; N272-F359 HydrophobicContact CB-CD1 3.93Å; N272-F359 HydrophobicContact CB-CG 4.02Å; N272-F359 WeakPolarHBondContact O-CD2 3.41Å; N272-F359 WeakPolarHBondContact O-CE2 3.35Å; N272-G363 WeakPolarHBondContact CB-O 3.39Å; N272-G363 PolarHBondContact ND2-O 2.99Å; N272-E365 PolarHBondContact ND2-OE1 3.05Å
273K89.2Confident87Confident96 Ų9637.4 Ų37.442%0.41717%0.168SC..Hα-helixtrans-62.4-45.3177.6-179.3178.3175.4-174.40111.5I269 R270 W271 W275 A276 E277I269-K273 VanDerWaalsContact O-CB 3.23Å; I269-K273 WeakPolarHBondContact O-CB 3.38Å; I269-K273 PolarHBondContact O-N 2.56Å; R270-K273 PolarHBondContact O-N 2.93Å; W271-K273 VanDerWaalsContact C-N 3.35Å; W271-K273 PolarHBondContact O-N 3.46Å; K273-W275 VanDerWaalsContact C-N 3.3Å; K273-W275 PolarHBondContact O-N 3.28Å; K273-A276 WeakPolarHBondContact O-CB 3.5Å; K273-A276 PolarHBondContact O-N 2.93Å; K273-A276 VanDerWaalsContact O-N 3.11Å; K273-E277 WeakPolarHBondContact CE-OE1 3.41Å; K273-E277 WeakPolarHBondContact O-CG 3.09Å; K273-E277 PolarHBondContact O-N 2.91Å
274F89.8Confident86.1Confident13 Ų1339.2 Ų39.26%0.05718%0.176CC..Hα-helixtrans-53.6-49175.7176-92.2000111.2F128 I136 D139 R140 L143 R270 W271 R278F128-F274 AromaticContact CE2-CE1 3.81Å; F128-F274 HydrophobicContact CE2-CE1 3.81Å; F128-F274 AromaticContact CE2-CZ 3.51Å; F128-F274 HydrophobicContact CE2-CZ 3.51Å; F128-F274 HydrophobicContact CZ-CE1 4.44Å; F128-F274 AromaticContact CZ-CZ 3.89Å; F128-F274 HydrophobicContact CZ-CZ 3.89Å; I136-F274 HydrophobicContact CG2-CE2 4.13Å; I136-F274 HydrophobicContact CG2-CZ 4.13Å; D139-F274 HydrophobicContact CB-CE2 4.1Å; R140-F274 HydrophobicContact CB-CE1 4.06Å; R140-F274 HydrophobicContact CB-CE2 4.42Å; R140-F274 HydrophobicContact CB-CZ 3.65Å; R140-F274 HydrophobicContact CG-CE1 4.16Å; R140-F274 HydrophobicContact CG-CZ 4.26Å; L143-F274 HydrophobicContact CD1-CB 3.56Å; L143-F274 HydrophobicContact CD1-CD1 4.39Å; L143-F274 HydrophobicContact CD1-CD2 3.76Å; L143-F274 HydrophobicContact CD1-CG 3.65Å; R270-F274 WeakPolarHBondContact O-CB 3.48Å; R270-F274 PolarHBondContact O-N 3.33Å; W271-F274 WeakPolarHBondContact O-CB 3.22Å; W271-F274 PolarHBondContact O-N 3.41Å; F274-R278 HydrophobicContact CE1-CG 4.27Å; F274-R278 HydrophobicContact CZ-CG 4.4Å; F274-R278 WeakPolarHBondContact O-CG 3.49Å; F274-R278 PolarHBondContact O-N 3.46Å
275W85.2Confident84.9Confident16 Ų1640.8 Ų40.86%0.06118%0.183CC..Hα-helixtrans-71.6-31178.1-73.8111.4000113.6Y127 F128 W271 N272 K273 R278 Q279 L354 F359Y127-W275 HydrophobicContact CD2-CZ3 4.45Å; Y127-W275 HydrophobicContact CE2-CZ3 4.47Å; F128-W275 HydrophobicContact CD2-CH2 4.39Å; F128-W275 HydrophobicContact CD2-CZ3 4.2Å; W271-W275 AromaticContact CD1-CD1 3.93Å; W271-W275 AromaticContact CD2-NE1 3.9Å; W271-W275 AromaticContact CE2-CD1 3.56Å; W271-W275 AromaticContact CE2-NE1 3.2Å; W271-W275 AromaticContact CH2-NE1 3.7Å; W271-W275 AromaticContact CZ2-CD1 3.95Å; W271-W275 HydrophobicContact CZ2-CZ2 4.48Å; W271-W275 AromaticContact CZ2-NE1 3.1Å; W271-W275 AromaticContact NE1-CD1 3.48Å; W271-W275 AromaticContact NE1-NE1 3.58Å; W271-W275 PolarHBondContact O-N 2.87Å; W271-W275 VanDerWaalsContact O-N 3.17Å; N272-W275 PolarHBondContact O-N 2.95Å; K273-W275 VanDerWaalsContact C-N 3.3Å; K273-W275 PolarHBondContact O-N 3.28Å; W275-R278 HydrophobicContact CE3-CB 4.44Å; W275-R278 PolarHBondContact O-N 2.64Å; W275-Q279 WeakPolarHBondContact O-CB 3.34Å; W275-Q279 VanDerWaalsContact O-CG 3.23Å; W275-Q279 WeakPolarHBondContact O-CG 3.36Å; W275-Q279 PolarHBondContact O-N 2.75Å; W275-L354 HydrophobicContact CD2-CD2 3.85Å; W275-L354 HydrophobicContact CE3-CD2 3.38Å; W275-L354 HydrophobicContact CH2-CD1 4.41Å; W275-L354 HydrophobicContact CH2-CD2 4.27Å; W275-L354 HydrophobicContact CZ3-CD1 3.97Å; W275-L354 HydrophobicContact CZ3-CD2 3.62Å; W275-L354 HydrophobicContact CZ3-CG 4.49Å; W275-F359 HydrophobicContact CB-CE1 4.41Å; W275-F359 HydrophobicContact CB-CE2 3.99Å; W275-F359 HydrophobicContact CB-CZ 3.53Å
276A83.6Confident83.7Confident5 Ų546 Ų464%0.04121%0.205CC..Hα-helixtrans-60.2-47.7175.300000111.5N272 K273 Q279 E280 F359 N360N272-A276 WeakPolarHBondContact O-CB 3.32Å; N272-A276 PolarHBondContact O-N 2.9Å; K273-A276 WeakPolarHBondContact O-CB 3.5Å; K273-A276 PolarHBondContact O-N 2.93Å; K273-A276 VanDerWaalsContact O-N 3.11Å; A276-Q279 PolarHBondContact O-N 3.31Å; A276-E280 PolarHBondContact O-N 3.25Å; A276-F359 HydrophobicContact CB-CD2 3.6Å; A276-F359 HydrophobicContact CB-CE2 3.84Å; A276-F359 VanDerWaalsContact N-CE2 3.31Å; A276-N360 WeakPolarHBondContact CB-O 3.4Å
277E85.9Confident82.7Confident73 Ų7351.4 Ų51.434%0.34122%0.221SC..Hα-helixtrans-61.1-47.9177.2-68.5174.3-174.200111K273 Q279 E280 E281K273-E277 WeakPolarHBondContact CE-OE1 3.41Å; K273-E277 WeakPolarHBondContact O-CG 3.09Å; K273-E277 PolarHBondContact O-N 2.91Å; E277-Q279 VanDerWaalsContact C-N 3.31Å; E277-Q279 PolarHBondContact O-N 3.04Å; E277-E280 PolarHBondContact O-N 2.98Å; E277-E280 VanDerWaalsContact O-N 3.15Å; E277-E281 WeakPolarHBondContact O-CG 3.32Å; E277-E281 PolarHBondContact O-N 2.71Å
278R84.7Confident81.7Confident21 Ų2155.4 Ų55.48%0.07924%0.242CC..Hα-helixtrans-63.7-34.9178.7-63.7-6197.679.23.8112.7F128 F274 W275 E281 F282F128-R278 HydrophobicContact CD2-CG 4.27Å; F128-R278 HydrophobicContact CE2-CG 4.19Å; F274-R278 HydrophobicContact CE1-CG 4.27Å; F274-R278 HydrophobicContact CZ-CG 4.4Å; F274-R278 WeakPolarHBondContact O-CG 3.49Å; F274-R278 PolarHBondContact O-N 3.46Å; W275-R278 HydrophobicContact CE3-CB 4.44Å; W275-R278 PolarHBondContact O-N 2.64Å; R278-E281 IonicContact CZ-OE1 3.76Å; R278-E281 IonicContact CZ-OE2 3.35Å; R278-E281 VanDerWaalsContact NE-CD 3.28Å; R278-E281 IonicContact NE-OE1 2.85Å; R278-E281 PolarHBondContact NE-OE1 3.06Å; R278-E281 VanDerWaalsContact NE-OE1 3.15Å; R278-E281 IonicContact NE-OE2 2.97Å; R278-E281 PolarHBondContact NE-OE2 2.78Å; R278-E281 IonicContact NH2-OE1 3.82Å; R278-E281 PolarHBondContact NH2-OE1 3.44Å; R278-E281 IonicContact NH2-OE2 2.76Å; R278-F282 VanDerWaalsContact O-CB 3.3Å; R278-F282 WeakPolarHBondContact O-CB 3.21Å; R278-F282 PolarHBondContact O-N 2.66Å
279Q77.4Confident80.6Confident14 Ų1456 Ų567%0.06525%0.245CC..Hα-helixtrans-67-39.5174.1-77.1-178.423.100112.6W275 A276 E277 K283 L354 F359W275-Q279 WeakPolarHBondContact O-CB 3.34Å; W275-Q279 VanDerWaalsContact O-CG 3.23Å; W275-Q279 WeakPolarHBondContact O-CG 3.36Å; W275-Q279 PolarHBondContact O-N 2.75Å; A276-Q279 PolarHBondContact O-N 3.31Å; E277-Q279 VanDerWaalsContact C-N 3.31Å; E277-Q279 PolarHBondContact O-N 3.04Å; Q279-K283 WeakPolarHBondContact O-CB 3.1Å; Q279-K283 VanDerWaalsContact O-CG 3.27Å; Q279-K283 WeakPolarHBondContact O-CG 3.4Å; Q279-K283 PolarHBondContact O-N 3.48Å; Q279-L354 WeakPolarHBondContact CG-O 3.23Å; Q279-L354 PolarHBondContact NE2-O 3.21Å; Q279-F359 VanDerWaalsContact NE2-CZ 3.3Å
280E79Confident79.5Confident100 Ų10061.4 Ų61.447%0.46727%0.267SS..Hα-helixtrans-66.4-47.5177-175.1161.1-157.500111.1A276 E277 F282 K283 E284 N361A276-E280 PolarHBondContact O-N 3.25Å; E277-E280 PolarHBondContact O-N 2.98Å; E277-E280 VanDerWaalsContact O-N 3.15Å; E280-F282 VanDerWaalsContact C-N 3.31Å; E280-F282 PolarHBondContact O-N 2.52Å; E280-K283 WeakPolarHBondContact O-CB 3.47Å; E280-K283 PolarHBondContact O-N 2.78Å; E280-K283 VanDerWaalsContact O-N 3.14Å; E280-E284 PolarHBondContact O-N 3.18Å; E280-N361 PolarHBondContact OE2-ND2 3.47Å
281E79.6Confident78.6Confident50 Ų5062.8 Ų62.823%0.23428%0.277CS..Hα-helixtrans-56.2-44.6173.4-72.6171.1-165.200111.6Y130 E277 R278 E284 R285Y130-E281 PolarHBondContact OH-OE2 3.23Å; E277-E281 WeakPolarHBondContact O-CG 3.32Å; E277-E281 PolarHBondContact O-N 2.71Å; R278-E281 IonicContact CZ-OE1 3.76Å; R278-E281 IonicContact CZ-OE2 3.35Å; R278-E281 VanDerWaalsContact NE-CD 3.28Å; R278-E281 IonicContact NE-OE1 2.85Å; R278-E281 PolarHBondContact NE-OE1 3.06Å; R278-E281 VanDerWaalsContact NE-OE1 3.15Å; R278-E281 IonicContact NE-OE2 2.97Å; R278-E281 PolarHBondContact NE-OE2 2.78Å; R278-E281 IonicContact NH2-OE1 3.82Å; R278-E281 PolarHBondContact NH2-OE1 3.44Å; R278-E281 IonicContact NH2-OE2 2.76Å; E281-E284 PolarHBondContact O-N 3.31Å; E281-R285 VanDerWaalsContact O-CG 3.29Å; E281-R285 WeakPolarHBondContact O-CG 3.39Å; E281-R285 PolarHBondContact O-N 2.91Å
282F75.2Confident77.2Confident22 Ų2264.3 Ų64.310%0.09629%0.289CS..Hα-helixtrans-64-42.3177.3178.2-110.8000112.4P126 R278 E280 E284 R285 K286 L342P126-F282 HydrophobicContact CB-CE2 4.07Å; P126-F282 WeakPolarHBondContact O-CD2 3.35Å; P126-F282 WeakPolarHBondContact O-CE2 3.28Å; R278-F282 VanDerWaalsContact O-CB 3.3Å; R278-F282 WeakPolarHBondContact O-CB 3.21Å; R278-F282 PolarHBondContact O-N 2.66Å; E280-F282 VanDerWaalsContact C-N 3.31Å; E280-F282 PolarHBondContact O-N 2.52Å; F282-E284 VanDerWaalsContact C-N 3.31Å; F282-E284 PolarHBondContact O-N 2.95Å; F282-R285 PolarHBondContact O-N 3.32Å; F282-K286 WeakPolarHBondContact O-CB 3.39Å; F282-K286 PolarHBondContact O-N 3.14Å; F282-L342 HydrophobicContact CE2-CD1 4.47Å; F282-L342 HydrophobicContact CE2-CD2 4.02Å; F282-L342 HydrophobicContact CZ-CD2 3.76Å
283K74.5Confident75.6Confident75 Ų7568.3 Ų68.333%0.32631%0.31SS..Hα-helixtrans-61.7-40.6174.9-76.6165-179.5163.50111Q279 E280 R287 N357Q279-K283 WeakPolarHBondContact O-CB 3.1Å; Q279-K283 VanDerWaalsContact O-CG 3.27Å; Q279-K283 WeakPolarHBondContact O-CG 3.4Å; Q279-K283 PolarHBondContact O-N 3.48Å; E280-K283 WeakPolarHBondContact O-CB 3.47Å; E280-K283 PolarHBondContact O-N 2.78Å; E280-K283 VanDerWaalsContact O-N 3.14Å; K283-R287 VanDerWaalsContact O-CG 3.31Å; K283-R287 WeakPolarHBondContact O-CG 3.32Å; K283-R287 PolarHBondContact O-N 2.98Å; K283-N357 PolarHBondContact NZ-OD1 3.46Å
284E76.1Confident73.8Confident111 Ų11171 Ų7152%0.51932%0.324SS..Hα-helixtrans-64.9-50.4176.6-173.3174.2-167.600111.8E280 E281 F282 K286 R287 L288E280-E284 PolarHBondContact O-N 3.18Å; E281-E284 PolarHBondContact O-N 3.31Å; F282-E284 VanDerWaalsContact C-N 3.31Å; F282-E284 PolarHBondContact O-N 2.95Å; E284-K286 VanDerWaalsContact C-N 3.28Å; E284-K286 PolarHBondContact O-N 3.29Å; E284-R287 WeakPolarHBondContact O-CA 3.4Å; E284-R287 WeakPolarHBondContact O-CB 3.41Å; E284-R287 PolarHBondContact O-N 2.77Å; E284-L288 HydrophobicContact CG-CD1 4.36Å; E284-L288 WeakPolarHBondContact O-CG 3.09Å; E284-L288 PolarHBondContact O-N 3.05Å
285R69.3Low71.7Confident34 Ų3476.3 Ų76.313%0.12835%0.353CS..Hα-helixtrans-55.1-43.9174.9-70.9173.7-168.5-14113.9111.7Y130 E281 F282 R287 L288 I289 L335Y130-R285 PolarHBondContact OH-NH2 3.29Å; E281-R285 VanDerWaalsContact O-CG 3.29Å; E281-R285 WeakPolarHBondContact O-CG 3.39Å; E281-R285 PolarHBondContact O-N 2.91Å; F282-R285 PolarHBondContact O-N 3.32Å; R285-R287 VanDerWaalsContact C-N 3.34Å; R285-R287 PolarHBondContact O-N 2.96Å; R285-L288 PolarHBondContact O-N 2.83Å; R285-I289 VanDerWaalsContact O-CG1 3.29Å; R285-I289 WeakPolarHBondContact O-CG1 3.18Å; R285-I289 PolarHBondContact O-N 3.08Å; R285-L335 HydrophobicContact CB-CD1 4.3Å; R285-L335 HydrophobicContact CG-CD1 4.31Å
286K69.7Low69.5Low109 Ų10979.8 Ų79.847%0.47439%0.394SS..Hα-helixtrans-62.4-38.4176.1-171.5174.2-177.7172.60112.5F282 E284 K290F282-K286 WeakPolarHBondContact O-CB 3.39Å; F282-K286 PolarHBondContact O-N 3.14Å; E284-K286 VanDerWaalsContact C-N 3.28Å; E284-K286 PolarHBondContact O-N 3.29Å; K286-K290 WeakPolarHBondContact O-CB 3.42Å; K286-K290 PolarHBondContact O-N 3.43Å
287R72.8Confident67.3Low174 Ų17483.8 Ų83.866%0.65743%0.427SS*.Hα-helixtrans-64.7-42.5173.8-72.4169.1179.6173.70.7111.2K283 E284 R285 K290 K291K283-R287 VanDerWaalsContact O-CG 3.31Å; K283-R287 WeakPolarHBondContact O-CG 3.32Å; K283-R287 PolarHBondContact O-N 2.98Å; E284-R287 WeakPolarHBondContact O-CA 3.4Å; E284-R287 WeakPolarHBondContact O-CB 3.41Å; E284-R287 PolarHBondContact O-N 2.77Å; R285-R287 VanDerWaalsContact C-N 3.34Å; R285-R287 PolarHBondContact O-N 2.96Å; R287-K290 PolarHBondContact O-N 2.73Å; R287-K291 WeakPolarHBondContact O-CG 3.41Å; R287-K291 PolarHBondContact O-N 2.94Å
288L73.4Confident65.2Low86 Ų8683.9 Ų83.945%0.4544%0.44SS..Hα-helixtrans-64.2-45.3177.4-66.6173.1000111.8E284 R285 K290 K291 S292E284-L288 HydrophobicContact CG-CD1 4.36Å; E284-L288 WeakPolarHBondContact O-CG 3.09Å; E284-L288 PolarHBondContact O-N 3.05Å; R285-L288 PolarHBondContact O-N 2.83Å; L288-K290 VanDerWaalsContact C-N 3.3Å; L288-K290 PolarHBondContact O-N 2.91Å; L288-K291 PolarHBondContact O-N 2.82Å; L288-S292 PolarHBondContact O-N 3.44Å
289I66.6Low63.1Low14 Ų1494.6 Ų94.67%0.07248%0.48CS..Hα-helixtrans-59.2-41.3174.4-66.9166.3000111.2R285 S292 N293 L335 I338 K339 L342R285-I289 VanDerWaalsContact O-CG1 3.29Å; R285-I289 WeakPolarHBondContact O-CG1 3.18Å; R285-I289 PolarHBondContact O-N 3.08Å; I289-S292 PolarHBondContact O-N 2.9Å; I289-S292 PolarHBondContact O-OG 3.4Å; I289-S292 VanDerWaalsContact O-OG 3.04Å; I289-N293 PolarHBondContact O-N 2.86Å; I289-N293 VanDerWaalsContact O-N 3.1Å; I289-L335 HydrophobicContact CD1-CD1 4.49Å; I289-L335 HydrophobicContact CD1-CD2 4.49Å; I289-L335 HydrophobicContact CD1-CG 4.02Å; I289-L335 HydrophobicContact CG1-CD1 4.2Å; I289-L335 HydrophobicContact CG1-CD2 3.49Å; I289-L335 VanDerWaalsContact CG1-CD2 3.49Å; I289-L335 HydrophobicContact CG1-CG 3.54Å; I289-I338 HydrophobicContact CD1-CG2 4.11Å; I289-K339 HydrophobicContact CG2-CB 4.4Å; I289-K339 HydrophobicContact CG2-CD 4.08Å; I289-K339 HydrophobicContact CG2-CG 4.1Å; I289-L342 HydrophobicContact CD1-CD1 4.28Å
290K68.4Low61.5Low148 Ų148101.3 Ų101.364%0.64351%0.506SS*.Hα-helixtrans-67.6-38.6178.5-168.3177.7-179.9-177.50111.8K286 R287 L288K286-K290 WeakPolarHBondContact O-CB 3.42Å; K286-K290 PolarHBondContact O-N 3.43Å; R287-K290 PolarHBondContact O-N 2.73Å; L288-K290 VanDerWaalsContact C-N 3.3Å; L288-K290 PolarHBondContact O-N 2.91Å
291K72.5Confident60.1Low146 Ų146100 Ų10064%0.63550%0.503SS*.Hα-helixtrans-66.8-42.5174.6-75.4-178.8177.5-176.40111.8R287 L288 N293 H294R287-K291 WeakPolarHBondContact O-CG 3.41Å; R287-K291 PolarHBondContact O-N 2.94Å; L288-K291 PolarHBondContact O-N 2.82Å; K291-N293 VanDerWaalsContact C-N 3.31Å; K291-N293 PolarHBondContact O-N 3.22Å; K291-H294 PolarHBondContact O-N 2.99Å; K291-H294 VanDerWaalsContact O-N 3.12Å
292S60.6Low58.3Low42 Ų42102.6 Ų102.629%0.29452%0.524SS..Hα-helixtrans-66.5-31.7179.372.10000112.6L288 I289 H294 N295L288-S292 PolarHBondContact O-N 3.44Å; I289-S292 PolarHBondContact O-N 2.9Å; I289-S292 PolarHBondContact O-OG 3.4Å; I289-S292 VanDerWaalsContact O-OG 3.04Å; S292-H294 PolarHBondContact O-N 3.11Å; S292-N295 CarbonylContact O-C 3.59Å; S292-N295 PolarHBondContact O-N 3.45Å; S292-N295 VanDerWaalsContact O-N 3.11Å
293N54.2Low56.8Low85 Ų85105.2 Ų105.246%0.45554%0.541SS..THydrogen-bonded Turntrans-65-19172.9-74.8-15.9000114.3I289 K291 K339I289-N293 PolarHBondContact O-N 2.86Å; I289-N293 VanDerWaalsContact O-N 3.1Å; K291-N293 VanDerWaalsContact C-N 3.31Å; K291-N293 PolarHBondContact O-N 3.22Å; N293-K339 WeakPolarHBondContact OD1-CE 3.36Å; N293-K339 PolarHBondContact OD1-NZ 2.87Å
294H50.7Low55.2Low154 Ų154102.1 Ų102.171%0.71353%0.528SS*.THydrogen-bonded Turntrans-87.9-17.8173.3-72.9-30.5000113.2K291 S292K291-H294 PolarHBondContact O-N 2.99Å; K291-H294 VanDerWaalsContact O-N 3.12Å; S292-H294 PolarHBondContact O-N 3.11Å
295N46Very low53.7Low123 Ų123103.4 Ų103.466%0.65853%0.532SS*.SBendtrans-100.792.8173.6-68.1-7.1000107.8S292 A297S292-N295 CarbonylContact O-C 3.59Å; S292-N295 PolarHBondContact O-N 3.45Å; S292-N295 VanDerWaalsContact O-N 3.11Å; N295-A297 PolarHBondContact O-N 3.36Å
296G40Very low52.6Low89 Ų89109 Ų10992%0.91855%0.554SS**SBendtrans-6129.6-171.400000118.4
297A36.5Very low51.5Low90 Ų90107.1 Ų107.174%0.74455%0.547SS*.  trans-142.861179.100000111.4N295 R299N295-A297 PolarHBondContact O-N 3.36Å; A297-R299 PolarHBondContact O-N 2.9Å; A297-R299 VanDerWaalsContact O-N 3.15Å
298A42.2Very low50.3Low74 Ų74100.5 Ų100.561%0.61252%0.524SS*.  trans-79.992.7166.400000108.8Y300A298-Y300 PolarHBondContact O-N 2.73Å
299R40.9Very low49Very low246 Ų246101.4 Ų101.493%0.92853%0.526SS*.PPolyproline II helixtrans-51.3120.1161.8-95.2179.8172.1174.5-2.9107.6A297 D301A297-R299 PolarHBondContact O-N 2.9Å; A297-R299 VanDerWaalsContact O-N 3.15Å; R299-D301 PolarHBondContact O-N 2.85Å
300Y44.1Very low48.2Very low155 Ų155103.4 Ų103.461%0.60854%0.537SS*.PPolyproline II helixtrans-63.9129.9171.9-85.2-93.3000109.4A298 M304A298-Y300 PolarHBondContact O-N 2.73Å; Y300-M304 HydrophobicContact CD1-CB 4.38Å; Y300-M304 HydrophobicContact CD1-CE 4.39Å; Y300-M304 HydrophobicContact CD1-CG 4.12Å; Y300-M304 HydrophobicContact CE1-CG 4.48Å
301D48.6Very low47.1Very low74 Ų74101.7 Ų101.740%0.39653%0.531SS..PPolyproline II helixtrans-62.8129167.2-168.7-28.1000108.7R299 V303 M304R299-D301 PolarHBondContact O-N 2.85Å; D301-V303 PolarHBondContact O-N 3.17Å; D301-V303 VanDerWaalsContact O-N 3.1Å; D301-V303 WeakPolarHBondContact OD1-CG2 3.41Å; D301-V303 PolarHBondContact OD1-N 2.93Å; D301-V303 VanDerWaalsContact OD1-N 3.1Å; D301-M304 WeakPolarHBondContact O-CB 3.43Å; D301-M304 PolarHBondContact O-N 3.49Å
302P42.6Very low45.8Very low104 Ų104102.5 Ų102.568%0.67554%0.535SS*.Hα-helixtrans-52.6-25.7175.216.3-29.3000114.2M304 K305 Y306P302-M304 VanDerWaalsContact C-N 3.28Å; P302-M304 PolarHBondContact O-N 3.08Å; P302-K305 PolarHBondContact O-N 3.2Å; P302-Y306 PolarHBondContact O-N 3.47Å
303V43.9Very low44.9Very low77 Ų77103.3 Ų103.347%0.46754%0.54SS..Hα-helixtrans-63.2-35.8174.7-179.30000111.7D301 Y306 Q307D301-V303 PolarHBondContact O-N 3.17Å; D301-V303 VanDerWaalsContact O-N 3.1Å; D301-V303 WeakPolarHBondContact OD1-CG2 3.41Å; D301-V303 PolarHBondContact OD1-N 2.93Å; D301-V303 VanDerWaalsContact OD1-N 3.1Å; V303-Y306 WeakPolarHBondContact O-CB 3.49Å; V303-Y306 PolarHBondContact O-N 3.43Å; V303-Q307 PolarHBondContact O-N 2.81Å
304M40.1Very low44.3Very low9 Ų9102.9 Ų102.94%0.04455%0.548CS..Hα-helixtrans-67.3-37.6179.3-159105.962.400113.3Y300 D301 P302 Y306 L308 D334 S336 I337Y300-M304 HydrophobicContact CD1-CB 4.38Å; Y300-M304 HydrophobicContact CD1-CE 4.39Å; Y300-M304 HydrophobicContact CD1-CG 4.12Å; Y300-M304 HydrophobicContact CE1-CG 4.48Å; D301-M304 WeakPolarHBondContact O-CB 3.43Å; D301-M304 PolarHBondContact O-N 3.49Å; P302-M304 VanDerWaalsContact C-N 3.28Å; P302-M304 PolarHBondContact O-N 3.08Å; M304-Y306 VanDerWaalsContact C-N 3.29Å; M304-L308 HydrophobicContact CG-CD1 4.22Å; M304-L308 WeakPolarHBondContact O-CB 3.5Å; M304-L308 PolarHBondContact O-N 2.97Å; M304-L308 VanDerWaalsContact O-N 3.09Å; M304-D334 WeakPolarHBondContact CB-OD2 3.15Å; M304-D334 HydrophobicContact CE-CB 4.19Å; M304-D334 WeakPolarHBondContact CE-OD1 3.14Å; M304-D334 WeakPolarHBondContact CE-OD2 3.28Å; M304-D334 HydrophobicContact SD-CB 3.45Å; M304-D334 WeakPolarHBondContact SD-CB 3.4Å; M304-S336 WeakPolarHBondContact CE-OG 3.42Å; M304-S336 WeakPolarHBondContact CG-OG 3.27Å; M304-S336 WeakPolarHBondContact SD-CB 3.48Å; M304-S336 PolarHBondContact SD-OG 3.07Å; M304-I337 HydrophobicContact CG-CG1 4.35Å; M304-I337 HydrophobicContact SD-CG1 3.9Å
305K44.5Very low43.6Very low139 Ų13998.8 Ų98.860%0.60455%0.548SS*.Hα-helixtrans-66.9-38.2178.1-162.2-178.4178.2-169.80110.1P302 E309P302-K305 PolarHBondContact O-N 3.2Å; K305-E309 WeakPolarHBondContact O-CB 3.4Å; K305-E309 WeakPolarHBondContact O-CG 3.23Å; K305-E309 PolarHBondContact O-N 2.86Å
306Y45.8Very low43.4Very low152 Ų152101.2 Ų101.260%0.59655%0.553SS**Hα-helixtrans-67.7-45.7177.3-165.2-108.9000112.3P302 V303 M304 L308 E309 I310P302-Y306 PolarHBondContact O-N 3.47Å; V303-Y306 WeakPolarHBondContact O-CB 3.49Å; V303-Y306 PolarHBondContact O-N 3.43Å; M304-Y306 VanDerWaalsContact C-N 3.29Å; Y306-L308 PolarHBondContact O-N 3.43Å; Y306-E309 PolarHBondContact O-N 3.32Å; Y306-I310 HydrophobicContact CD1-CD1 3.56Å; Y306-I310 HydrophobicContact CE1-CD1 3.35Å; Y306-I310 HydrophobicContact CE1-CG1 4.46Å; Y306-I310 HydrophobicContact CG-CD1 4.3Å; Y306-I310 VanDerWaalsContact O-CG1 3.28Å; Y306-I310 WeakPolarHBondContact O-CG1 3.4Å; Y306-I310 PolarHBondContact O-N 3.37Å
307Q46.7Very low43.1Very low69 Ų69102.9 Ų102.932%0.32254%0.541SS..Hα-helixtrans-65-37.8177.2-77.6173.3-2200112.9V303 I310 E311 I337V303-Q307 PolarHBondContact O-N 2.81Å; Q307-I310 PolarHBondContact O-N 3.43Å; Q307-E311 PolarHBondContact O-N 2.96Å; Q307-I337 HydrophobicContact CB-CD1 3.72Å; Q307-I337 HydrophobicContact CG-CD1 4.42Å
308L47.3Very low43Very low34 Ų34105.5 Ų105.518%0.17855%0.548CS..Hα-helixtrans-71.9-30.7175.2-82162.5000113.7M304 Y306 K312M304-L308 HydrophobicContact CG-CD1 4.22Å; M304-L308 WeakPolarHBondContact O-CB 3.5Å; M304-L308 PolarHBondContact O-N 2.97Å; M304-L308 VanDerWaalsContact O-N 3.09Å; Y306-L308 PolarHBondContact O-N 3.43Å; L308-K312 WeakPolarHBondContact O-CB 3.38Å; L308-K312 WeakPolarHBondContact O-CG 3.41Å; L308-K312 PolarHBondContact O-N 3.03Å
309E46.9Very low42.7Very low105 Ų105107 Ų10749%0.49155%0.549SS..Hα-helixtrans-71.4-34.2172-80.3172.5-176.300111.4K305 Y306 S313K305-E309 WeakPolarHBondContact O-CB 3.4Å; K305-E309 WeakPolarHBondContact O-CG 3.23Å; K305-E309 PolarHBondContact O-N 2.86Å; Y306-E309 PolarHBondContact O-N 3.32Å; E309-S313 WeakPolarHBondContact O-CB 3.47Å; E309-S313 PolarHBondContact O-N 2.76Å; E309-S313 VanDerWaalsContact O-N 3.13Å; E309-S313 PolarHBondContact O-OG 3.32Å
310I49.2Very low42.5Very low57 Ų57104.9 Ų104.929%0.29255%0.55SS..Hα-helixtrans-69.2-46.2174.3-69.6169000111.8Y306 Q307 K312 S313 A314Y306-I310 HydrophobicContact CD1-CD1 3.56Å; Y306-I310 HydrophobicContact CE1-CD1 3.35Å; Y306-I310 HydrophobicContact CE1-CG1 4.46Å; Y306-I310 HydrophobicContact CG-CD1 4.3Å; Y306-I310 VanDerWaalsContact O-CG1 3.28Å; Y306-I310 WeakPolarHBondContact O-CG1 3.4Å; Y306-I310 PolarHBondContact O-N 3.37Å; Q307-I310 PolarHBondContact O-N 3.43Å; I310-K312 VanDerWaalsContact C-N 3.3Å; I310-K312 PolarHBondContact O-N 2.96Å; I310-S313 VanDerWaalsContact CA-OG 3.31Å; I310-S313 WeakPolarHBondContact CA-OG 3.47Å; I310-S313 PolarHBondContact O-N 3.35Å; I310-S313 VanDerWaalsContact O-N 3.17Å; I310-S313 PolarHBondContact O-OG 3.36Å; I310-A314 WeakPolarHBondContact O-CB 3.23Å; I310-A314 PolarHBondContact O-N 3.04Å
311E46.4Very low42.1Very low111 Ų111102.8 Ų102.852%0.51955%0.553SS.*Hα-helixtrans-63.4-35176.3-79.5-172.4160.900112.6Q307 S313 G315Q307-E311 PolarHBondContact O-N 2.96Å; E311-S313 VanDerWaalsContact C-N 3.33Å; E311-G315 PolarHBondContact O-N 3.15Å
312K44.5Very low41Very low164 Ų164106.1 Ų106.171%0.71357%0.571SS**Hα-helixtrans-72.4-23.8175.7-83.3-179.4176.3178.10113.9L308 I310L308-K312 WeakPolarHBondContact O-CB 3.38Å; L308-K312 WeakPolarHBondContact O-CG 3.41Å; L308-K312 PolarHBondContact O-N 3.03Å; I310-K312 VanDerWaalsContact C-N 3.3Å; I310-K312 PolarHBondContact O-N 2.96Å
313S41Very low40.5Very low58 Ų58112 Ų11241%0.40658%0.582SS.*Hα-helixtrans-89.7-32.1176.840.90000112.2E309 I310 E311 G315 K316 N317E309-S313 WeakPolarHBondContact O-CB 3.47Å; E309-S313 PolarHBondContact O-N 2.76Å; E309-S313 VanDerWaalsContact O-N 3.13Å; E309-S313 PolarHBondContact O-OG 3.32Å; I310-S313 VanDerWaalsContact CA-OG 3.31Å; I310-S313 WeakPolarHBondContact CA-OG 3.47Å; I310-S313 PolarHBondContact O-N 3.35Å; I310-S313 VanDerWaalsContact O-N 3.17Å; I310-S313 PolarHBondContact O-OG 3.36Å; E311-S313 VanDerWaalsContact C-N 3.33Å; S313-G315 VanDerWaalsContact C-N 3.26Å; S313-G315 PolarHBondContact O-N 3.45Å; S313-K316 PolarHBondContact O-N 3.31Å; S313-K316 VanDerWaalsContact O-N 3.09Å; S313-N317 PolarHBondContact O-N 3.35Å
314A41.6Very low40.1Very low76 Ų76117.3 Ų117.363%0.62859%0.594SS**Hα-helixtrans-62.2-31.2170.700000112.9I310 K316I310-A314 WeakPolarHBondContact O-CB 3.23Å; I310-A314 PolarHBondContact O-N 3.04Å; A314-K316 VanDerWaalsContact C-N 3.27Å; A314-K316 PolarHBondContact O-N 3.04Å
315G37.1Very low39.9Very low69 Ų69122.6 Ų122.671%0.71162%0.622SS**THydrogen-bonded Turntrans-76.3-1.7173.600000115.8E311 S313E311-G315 PolarHBondContact O-N 3.15Å; S313-G315 VanDerWaalsContact C-N 3.26Å; S313-G315 PolarHBondContact O-N 3.45Å
316K42.1Very low39.8Very low174 Ų174118.8 Ų118.876%0.75761%0.612SS**THydrogen-bonded Turntrans-120.8-12.8-175.8-85.7-173.8173.9-175.10115.5S313 A314S313-K316 PolarHBondContact O-N 3.31Å; S313-K316 VanDerWaalsContact O-N 3.09Å; A314-K316 VanDerWaalsContact C-N 3.27Å; A314-K316 PolarHBondContact O-N 3.04Å
317N33.5Very low39.5Very low124 Ų124120.3 Ų120.366%0.66362%0.621SS**  trans-118.581.1-179.3-72.2-4.8000110.6S313 T319S313-N317 PolarHBondContact O-N 3.35Å; N317-T319 VanDerWaalsContact C-N 3.29Å; N317-T319 PolarHBondContact O-N 3.26Å; N317-T319 VanDerWaalsContact O-N 3.14Å
318T34.2Very low39.2Very low145 Ų145121.3 Ų121.389%0.8964%0.636SS**  trans-77.781.6162.246.90000108.7
319T36.6Very low38.8Very low104 Ų104125.4 Ų125.464%0.63865%0.654SS**  trans-122.612716139.30000108.1N317 T321N317-T319 VanDerWaalsContact C-N 3.29Å; N317-T319 PolarHBondContact O-N 3.26Å; N317-T319 VanDerWaalsContact O-N 3.14Å; T319-T321 PolarHBondContact O-N 3.43Å
320E36.6Very low38.9Very low202 Ų202125 Ų12594%0.94466%0.656SS**THydrogen-bonded Turntrans-74.122.8-151.3-139.8167.5-169.900116
321T34Very low38.8Very low111 Ų111128 Ų12868%0.68167%0.671SS**THydrogen-bonded Turntrans-139.1-2.4-164.440.90000119T319T319-T321 PolarHBondContact O-N 3.43Å
322D27Very low39.1Very low145 Ų145125.2 Ų125.278%0.77566%0.663SS**  trans-114.4101.7-177.7-75.5-30.9000113.2Y324D322-Y324 PolarHBondContact O-N 3.24Å
323Y31.3Very low39.5Very low228 Ų228118.7 Ų118.789%0.89464%0.635SS**  trans-74.2110.7168.2-72.1-89.5000110
324Y35.5Very low40.4Very low188 Ų188117.5 Ų117.574%0.73763%0.625SS**  trans-89.8107.5172.9-143.6-89.6000110.3D322D322-Y324 PolarHBondContact O-N 3.24Å
325L37.2Very low41.2Very low119 Ų119116.7 Ų116.762%0.62361%0.609SS**PPolyproline II helixtrans-83.7118.7168.8-83.4154.4000109.2F133 K327F133-L325 HydrophobicContact CD2-CD2 4.03Å; F133-L325 HydrophobicContact CE2-CD2 3.24Å; F133-L325 HydrophobicContact CZ-CD2 3.67Å; L325-K327 PolarHBondContact O-N 2.9Å
326P41.5Very low42.1Very low60 Ų60114.2 Ų114.239%0.3958%0.581SS.*PPolyproline II helixtrans-60.6132.9172.4-20.434.1000109.5Y124 S328Y124-P326 HydrophobicContact CE2-CG 4.48Å; Y124-P326 WeakPolarHBondContact OH-CG 3.47Å; P326-S328 PolarHBondContact O-N 2.96Å
327K39.6Very low42.9Very low183 Ų183106.2 Ų106.280%0.79655%0.546SS*.PPolyproline II helixtrans-51.9138.4177.5-86.3-176.7174.4-178.20111.1L325 E329L325-K327 PolarHBondContact O-N 2.9Å; K327-E329 PolarHBondContact O-N 3.42Å
328S39.9Very low44.1Very low91 Ų91100.3 Ų100.364%0.63652%0.515SS*.  trans-68.427.4-171.867.30000116.2P326P326-S328 PolarHBondContact O-N 2.96Å
329E39.9Very low45.1Very low119 Ų11996.9 Ų96.956%0.55649%0.487SS*.  trans-87.6134.5-175.6-68.5178-169.200110.2K327 I331K327-E329 PolarHBondContact O-N 3.42Å; E329-I331 HydrophobicContact CB-CD1 4.03Å; E329-I331 HydrophobicContact CB-CG1 4.04Å; E329-I331 PolarHBondContact O-N 2.97Å; E329-I331 VanDerWaalsContact OE2-CD1 3.26Å; E329-I331 WeakPolarHBondContact OE2-CD1 3.39Å
330D48.2Very low46.1Very low97 Ų9795 Ų9552%0.51947%0.472SS..  trans-64.721177.7-71.7-42.2000113.4K135 P332K135-D330 PolarHBondContact N-OD1 2.88Å; D330-P332 WeakPolarHBondContact O-CD 3.15Å
331I47.1Very low47.1Very low120 Ų12087.8 Ų87.862%0.61544%0.438SS*.  trans-78.8111.5-178.8-57.5171.6000107.5E329E329-I331 HydrophobicContact CB-CD1 4.03Å; E329-I331 HydrophobicContact CB-CG1 4.04Å; E329-I331 PolarHBondContact O-N 2.97Å; E329-I331 VanDerWaalsContact OE2-CD1 3.26Å; E329-I331 WeakPolarHBondContact OE2-CD1 3.39Å
332P52.5Low48.2Very low53 Ų5385 Ų8534%0.34442%0.419SS..  trans-59.9144.7175.923.8-31.7000110.6Y130 D330 D334Y130-P332 HydrophobicContact CE1-CB 4.18Å; D330-P332 WeakPolarHBondContact O-CD 3.15Å; P332-D334 PolarHBondContact O-N 3.42Å
333L53.9Low49.5Very low27 Ų2784.5 Ų84.514%0.14142%0.415CS..  trans-45.6132.2176.7-145.187.6000111Y124 P129 I337 I338Y124-L333 HydrophobicContact CD1-CD1 3.93Å; P129-L333 HydrophobicContact CB-CB 3.55Å; P129-L333 PolarHBondContact O-N 3.5Å; P129-L333 VanDerWaalsContact O-N 3.13Å; L333-I337 HydrophobicContact CD2-CB 3.98Å; L333-I337 HydrophobicContact CD2-CG2 3.46Å; L333-I337 VanDerWaalsContact CD2-CG2 3.46Å; L333-I337 HydrophobicContact CG-CB 4.35Å; L333-I337 HydrophobicContact CG-CG2 4.19Å; L333-I338 HydrophobicContact CB-CD1 4.37Å; L333-I338 HydrophobicContact CB-CG1 4.2Å; L333-I338 HydrophobicContact CD2-CG1 4.25Å; L333-I338 WeakPolarHBondContact O-CD1 3.45Å
334D59Low50.4Low33 Ų3381.7 Ų81.718%0.17641%0.407CS..  trans-60.4142.3-172.9-166.7-15000111.3M304 P332 S336 I337 I338M304-D334 WeakPolarHBondContact CB-OD2 3.15Å; M304-D334 HydrophobicContact CE-CB 4.19Å; M304-D334 WeakPolarHBondContact CE-OD1 3.14Å; M304-D334 WeakPolarHBondContact CE-OD2 3.28Å; M304-D334 HydrophobicContact SD-CB 3.45Å; M304-D334 WeakPolarHBondContact SD-CB 3.4Å; P332-D334 PolarHBondContact O-N 3.42Å; D334-S336 PolarHBondContact O-N 2.72Å; D334-S336 VanDerWaalsContact O-N 3.07Å; D334-I337 HydrophobicContact CB-CD1 4.48Å; D334-I337 PolarHBondContact O-N 2.84Å; D334-I338 PolarHBondContact O-N 3Å; D334-I338 VanDerWaalsContact O-N 3.14Å
335L58.6Low50.9Low59 Ų5974.7 Ų74.731%0.30938%0.383SS..Hα-helixtrans-57.2-29.6-169.1-149.488.1000112.6R285 I289 K339R285-L335 HydrophobicContact CB-CD1 4.3Å; R285-L335 HydrophobicContact CG-CD1 4.31Å; I289-L335 HydrophobicContact CD1-CD1 4.49Å; I289-L335 HydrophobicContact CD1-CD2 4.49Å; I289-L335 HydrophobicContact CD1-CG 4.02Å; I289-L335 HydrophobicContact CG1-CD1 4.2Å; I289-L335 HydrophobicContact CG1-CD2 3.49Å; I289-L335 VanDerWaalsContact CG1-CD2 3.49Å; I289-L335 HydrophobicContact CG1-CG 3.54Å; L335-K339 WeakPolarHBondContact O-CB 3.3Å; L335-K339 PolarHBondContact O-N 3.12Å
336S56.3Low51.1Low17 Ų1777.3 Ų77.312%0.11939%0.392CS..Hα-helixtrans-82.7-26.5177.8107.50000114.3M304 D334 K339 Q340M304-S336 WeakPolarHBondContact CE-OG 3.42Å; M304-S336 WeakPolarHBondContact CG-OG 3.27Å; M304-S336 WeakPolarHBondContact SD-CB 3.48Å; M304-S336 PolarHBondContact SD-OG 3.07Å; D334-S336 PolarHBondContact O-N 2.72Å; D334-S336 VanDerWaalsContact O-N 3.07Å; S336-K339 WeakPolarHBondContact O-CB 3.23Å; S336-K339 PolarHBondContact O-N 2.64Å; S336-Q340 WeakPolarHBondContact O-CG 3.07Å; S336-Q340 PolarHBondContact O-N 3.32Å
337I58.8Low50.9Low5 Ų579.9 Ų79.93%0.02640%0.402CS..Hα-helixtrans-67.5-45.5169.9-59175.5000109M304 Q307 L333 D334 K339 Q340 Q341M304-I337 HydrophobicContact CG-CG1 4.35Å; M304-I337 HydrophobicContact SD-CG1 3.9Å; Q307-I337 HydrophobicContact CB-CD1 3.72Å; Q307-I337 HydrophobicContact CG-CD1 4.42Å; L333-I337 HydrophobicContact CD2-CB 3.98Å; L333-I337 HydrophobicContact CD2-CG2 3.46Å; L333-I337 VanDerWaalsContact CD2-CG2 3.46Å; L333-I337 HydrophobicContact CG-CB 4.35Å; L333-I337 HydrophobicContact CG-CG2 4.19Å; D334-I337 HydrophobicContact CB-CD1 4.48Å; D334-I337 PolarHBondContact O-N 2.84Å; I337-K339 VanDerWaalsContact C-N 3.25Å; I337-K339 PolarHBondContact O-N 3.08Å; I337-Q340 PolarHBondContact O-N 3.06Å; I337-Q340 VanDerWaalsContact O-N 3.13Å; I337-Q341 HydrophobicContact CG2-CG 4.43Å; I337-Q341 WeakPolarHBondContact O-CG 3.47Å; I337-Q341 PolarHBondContact O-N 3.11Å
338I57.5Low51Low0 Ų080.8 Ų80.80%040%0.401CS..Hα-helixtrans-54.9-44171.9-65.2178000110.4P126 P129 I289 L333 D334 Q341 L342P126-I338 HydrophobicContact CB-CG2 4.08Å; P129-I338 HydrophobicContact CB-CD1 3.93Å; P129-I338 HydrophobicContact CB-CG1 4.46Å; P129-I338 HydrophobicContact CG-CD1 4.29Å; I289-I338 HydrophobicContact CD1-CG2 4.11Å; L333-I338 HydrophobicContact CB-CD1 4.37Å; L333-I338 HydrophobicContact CB-CG1 4.2Å; L333-I338 HydrophobicContact CD2-CG1 4.25Å; L333-I338 WeakPolarHBondContact O-CD1 3.45Å; D334-I338 PolarHBondContact O-N 3Å; D334-I338 VanDerWaalsContact O-N 3.14Å; I338-Q341 PolarHBondContact O-N 3.42Å; I338-L342 HydrophobicContact CG2-CD1 3.79Å; I338-L342 HydrophobicContact CG2-CG 4.26Å; I338-L342 VanDerWaalsContact O-CB 3.32Å; I338-L342 WeakPolarHBondContact O-CB 3.41Å; I338-L342 WeakPolarHBondContact O-CG 3.39Å; I338-L342 PolarHBondContact O-N 3.4Å
339K56Low50.8Low73 Ų7381.2 Ų81.232%0.31740%0.4SS..Hα-helixtrans-62.1-43.2177.2-176.6-179169.7-178.30112.6I289 N293 L335 S336 I337 L343I289-K339 HydrophobicContact CG2-CB 4.4Å; I289-K339 HydrophobicContact CG2-CD 4.08Å; I289-K339 HydrophobicContact CG2-CG 4.1Å; N293-K339 WeakPolarHBondContact OD1-CE 3.36Å; N293-K339 PolarHBondContact OD1-NZ 2.87Å; L335-K339 WeakPolarHBondContact O-CB 3.3Å; L335-K339 PolarHBondContact O-N 3.12Å; S336-K339 WeakPolarHBondContact O-CB 3.23Å; S336-K339 PolarHBondContact O-N 2.64Å; I337-K339 VanDerWaalsContact C-N 3.25Å; I337-K339 PolarHBondContact O-N 3.08Å; K339-L343 HydrophobicContact CG-CD1 4.39Å; K339-L343 WeakPolarHBondContact O-CD1 3.33Å; K339-L343 WeakPolarHBondContact O-CG 3.33Å; K339-L343 PolarHBondContact O-N 3.19Å
340Q58.5Low50.7Low66 Ų6679.3 Ų79.331%0.30839%0.394SS..Hα-helixtrans-67.8-41.8177.7-73.3-173.313.500112.1S336 I337 L343 K344S336-Q340 WeakPolarHBondContact O-CG 3.07Å; S336-Q340 PolarHBondContact O-N 3.32Å; I337-Q340 PolarHBondContact O-N 3.06Å; I337-Q340 VanDerWaalsContact O-N 3.13Å; Q340-L343 PolarHBondContact O-N 2.91Å; Q340-K344 PolarHBondContact O-N 2.8Å; Q340-K344 VanDerWaalsContact O-N 3.1Å
341Q56.7Low50.1Low49 Ų4976.4 Ų76.423%0.22938%0.378CS..Hα-helixtrans-64.7-43.4175.6-73-178.9-13.100111.2Y124 P126 I337 I338 L343 K344 D345Y124-Q341 PolarHBondContact O-NE2 3.21Å; Y124-Q341 PolarHBondContact O-OE1 3.23Å; P126-Q341 VanDerWaalsContact CD-OE1 3.27Å; P126-Q341 HydrophobicContact CG-CB 3.53Å; I337-Q341 HydrophobicContact CG2-CG 4.43Å; I337-Q341 WeakPolarHBondContact O-CG 3.47Å; I337-Q341 PolarHBondContact O-N 3.11Å; I338-Q341 PolarHBondContact O-N 3.42Å; Q341-L343 PolarHBondContact O-N 2.84Å; Q341-K344 PolarHBondContact O-N 3.38Å; Q341-D345 WeakPolarHBondContact O-CB 3.3Å; Q341-D345 PolarHBondContact O-N 2.88Å
342L56.3Low49.7Very low54 Ų5473.4 Ų73.428%0.28336%0.363SS..Hα-helixtrans-59.9-27.9174.6-75.9170.6000114P126 F282 I289 I338P126-L342 HydrophobicContact CB-CD2 3.67Å; P126-L342 HydrophobicContact CB-CG 3.8Å; P126-L342 HydrophobicContact CG-CD2 4.23Å; P126-L342 HydrophobicContact CG-CG 4.2Å; F282-L342 HydrophobicContact CE2-CD1 4.47Å; F282-L342 HydrophobicContact CE2-CD2 4.02Å; F282-L342 HydrophobicContact CZ-CD2 3.76Å; I289-L342 HydrophobicContact CD1-CD1 4.28Å; I338-L342 HydrophobicContact CG2-CD1 3.79Å; I338-L342 HydrophobicContact CG2-CG 4.26Å; I338-L342 VanDerWaalsContact O-CB 3.32Å; I338-L342 WeakPolarHBondContact O-CB 3.41Å; I338-L342 WeakPolarHBondContact O-CG 3.39Å; I338-L342 PolarHBondContact O-N 3.4Å
343L55.1Low49.1Very low133 Ų13375 Ų7570%0.69636%0.363SS*.Hα-helixtrans-80.2-31.2175.4-76.3162.8000112.3K339 Q340 Q341K339-L343 HydrophobicContact CG-CD1 4.39Å; K339-L343 WeakPolarHBondContact O-CD1 3.33Å; K339-L343 WeakPolarHBondContact O-CG 3.33Å; K339-L343 PolarHBondContact O-N 3.19Å; Q340-L343 PolarHBondContact O-N 2.91Å; Q341-L343 PolarHBondContact O-N 2.84Å
344K49.6Very low48.8Very low169 Ų16975 Ų7574%0.73536%0.362SS*.Hα-helixtrans-83.7-22.4178-75.1-177.9177.8178.50113.5Q340 Q341 Q346Q340-K344 PolarHBondContact O-N 2.8Å; Q340-K344 VanDerWaalsContact O-N 3.1Å; Q341-K344 PolarHBondContact O-N 3.38Å; K344-Q346 PolarHBondContact O-N 2.79Å
345D47.3Very low48.3Very low42 Ų4276.8 Ų76.823%0.22537%0.37CS..  trans-7473.8-176.4-140.9-1.4000111.1Q341 N347 I351Q341-D345 WeakPolarHBondContact O-CB 3.3Å; Q341-D345 PolarHBondContact O-N 2.88Å; D345-N347 PolarHBondContact O-N 2.72Å; D345-I351 HydrophobicContact CB-CD1 4.24Å
346Q40.7Very low48.1Very low174 Ų17476.6 Ų76.681%0.81337%0.365SS*.  trans-72.6-9.7171.4-70.7-170.4-13.700112.1K344 R348K344-Q346 PolarHBondContact O-N 2.79Å; Q346-R348 PolarHBondContact O-N 3.15Å
347N38.5Very low48.4Very low113 Ų11379.6 Ų79.660%0.60438%0.38SS*.  trans-79.482.6177.3-74.6-13.8000110.7D345 T349D345-N347 PolarHBondContact O-N 2.72Å; N347-T349 PolarHBondContact O-N 2.87Å
348R40.2Very low48.8Very low202 Ų20280.5 Ų80.576%0.76238%0.383SS*.Hα-helixtrans-54-15.5176.3-76.4-180170179.3-1.8114.7Q346 N352Q346-R348 PolarHBondContact O-N 3.15Å; R348-N352 PolarHBondContact O-N 2.95Å; R348-N352 PolarHBondContact O-ND2 2.87Å
349T35.9Very low49.6Very low101 Ų10181.5 Ų81.562%0.6239%0.387SS*.Hα-helixtrans-75-49-170.541.80000113.2N347 I351 N352N347-T349 PolarHBondContact O-N 2.87Å; T349-I351 VanDerWaalsContact C-N 3.31Å; T349-I351 PolarHBondContact O-N 3.36Å; T349-N352 PolarHBondContact O-N 3.14Å
350N38.6Very low50.5Low79 Ų7980.6 Ų80.642%0.42239%0.386SS..Hα-helixtrans-71.5-29.5179.5-73.73.6000112.4D122 N352D122-N350 PolarHBondContact OD2-ND2 3.36Å; N350-N352 VanDerWaalsContact C-N 3.27Å; N350-N352 PolarHBondContact O-N 2.95Å
351I35.7Very low51.5Low36 Ų3681.9 Ų81.919%0.18540%0.395CS..Hα-helixtrans-65.4-31.9177-58.2178.3000111.3D345 T349 Q355D345-I351 HydrophobicContact CB-CD1 4.24Å; T349-I351 VanDerWaalsContact C-N 3.31Å; T349-I351 PolarHBondContact O-N 3.36Å; I351-Q355 HydrophobicContact CG2-CG 3.9Å; I351-Q355 WeakPolarHBondContact O-CB 3.27Å; I351-Q355 WeakPolarHBondContact O-CG 3.46Å; I351-Q355 PolarHBondContact O-N 3.24Å
352N38.2Very low52.6Low57 Ų5783 Ų8331%0.30541%0.408SS..Hα-helixtrans-75.8-32.6-176.4-74.9-29.4000113.4R348 T349 N350 R356R348-N352 PolarHBondContact O-N 2.95Å; R348-N352 PolarHBondContact O-ND2 2.87Å; T349-N352 PolarHBondContact O-N 3.14Å; N350-N352 VanDerWaalsContact C-N 3.27Å; N350-N352 PolarHBondContact O-N 2.95Å; N352-R356 WeakPolarHBondContact O-CD 3.44Å; N352-R356 PolarHBondContact OD1-NH2 3.28Å
353Y40.5Very low53.6Low86 Ų8680.4 Ų80.434%0.33740%0.395SS..Hα-helixtrans-68.5-37-177.7-161.4-96000112.3I85 D86 R358I85-Y353 HydrophobicContact CG2-CE2 4.06Å; I85-Y353 WeakPolarHBondContact CG2-OH 3.22Å; D86-Y353 PolarHBondContact N-OH 3.47Å; D86-Y353 PolarHBondContact OD1-OH 3.04Å; Y353-R358 VanDerWaalsContact CZ-NH1 3.27Å; Y353-R358 PolarHBondContact OH-NH1 2.85Å
354L46.7Very low54.9Low26 Ų2676 Ų7614%0.13637%0.371CS..Hα-helixtrans-97.1-13.7-178-72.7167.3000114.8Y127 W275 Q279 R356Y127-L354 HydrophobicContact CD1-CD1 4.4Å; Y127-L354 HydrophobicContact CD2-CD1 3.21Å; Y127-L354 HydrophobicContact CE1-CD1 4.32Å; Y127-L354 HydrophobicContact CE2-CD1 3.1Å; Y127-L354 HydrophobicContact CG-CD1 3.87Å; W275-L354 HydrophobicContact CD2-CD2 3.85Å; W275-L354 HydrophobicContact CE3-CD2 3.38Å; W275-L354 HydrophobicContact CH2-CD1 4.41Å; W275-L354 HydrophobicContact CH2-CD2 4.27Å; W275-L354 HydrophobicContact CZ3-CD1 3.97Å; W275-L354 HydrophobicContact CZ3-CD2 3.62Å; W275-L354 HydrophobicContact CZ3-CG 4.49Å; Q279-L354 WeakPolarHBondContact CG-O 3.23Å; Q279-L354 PolarHBondContact NE2-O 3.21Å; L354-R356 PolarHBondContact O-N 3.09Å
355Q47.6Very low56.3Low72 Ų7268.4 Ų68.434%0.33634%0.339SS..SBendtrans-83.6-6-175.5-85.3-172.3-2.800115.7I351I351-Q355 HydrophobicContact CG2-CG 3.9Å; I351-Q355 WeakPolarHBondContact O-CB 3.27Å; I351-Q355 WeakPolarHBondContact O-CG 3.46Å; I351-Q355 PolarHBondContact O-N 3.24Å
356R56.2Low57.5Low54 Ų5468.4 Ų68.420%0.20434%0.339CS..SBendtrans-114.2131-160.6-63.6174.3-178-161.52.6108.9N352 L354 R358 I384 G385 I386N352-R356 WeakPolarHBondContact O-CD 3.44Å; N352-R356 PolarHBondContact OD1-NH2 3.28Å; L354-R356 PolarHBondContact O-N 3.09Å; R356-R358 PolarHBondContact O-N 3.33Å; R356-I384 WeakPolarHBondContact CD-O 3.34Å; R356-I384 PolarHBondContact NE-O 3.05Å; R356-I384 PolarHBondContact NH1-O 2.88Å; R356-G385 VanDerWaalsContact CZ-O 3.25Å; R356-G385 PolarHBondContact NE-O 2.86Å; R356-G385 PolarHBondContact NH1-O 3.46Å; R356-I386 VanDerWaalsContact NH1-N 3.18Å
357N61Low58.7Low81 Ų8160.6 Ų60.643%0.43330%0.302SS..  trans-6269.8-174-67.7-11.6000110.6K283 L366 W367K283-N357 PolarHBondContact NZ-OD1 3.46Å; N357-L366 HydrophobicContact CB-CD1 4.05Å; N357-L366 WeakPolarHBondContact O-CD1 3.35Å; N357-W367 PolarHBondContact O-NE1 2.91Å
358R68Low59.9Low24 Ų2455.5 Ų55.59%0.09128%0.275CS..SBendtrans-76.8-30.4178.8-67.9-173.882.8179.66.4110.9D86 E87 Y353 R356 E365 L366D86-R358 IonicContact OD1-NH1 2.77Å; E87-R358 IonicContact OE1-CZ 3.44Å; E87-R358 IonicContact OE1-NE 3.92Å; E87-R358 IonicContact OE1-NH1 3.65Å; E87-R358 IonicContact OE1-NH2 2.78Å; E87-R358 PolarHBondContact OE1-NH2 2.95Å; E87-R358 IonicContact OE2-NH2 3.15Å; E87-R358 PolarHBondContact OE2-NH2 3.17Å; Y353-R358 VanDerWaalsContact CZ-NH1 3.27Å; Y353-R358 PolarHBondContact OH-NH1 2.85Å; R356-R358 PolarHBondContact O-N 3.33Å; R358-E365 CarbonylContact O-C 3.51Å; R358-E365 WeakPolarHBondContact O-CA 3.31Å; R358-L366 PolarHBondContact O-N 3.29Å
359F74.1Confident60.9Low20 Ų2046 Ų469%0.08824%0.24CC..BIsolated β-bridgetrans-135.1159.3-179.734.6-105.3000111.2N272 W275 A276 Q279 N364N272-F359 HydrophobicContact CB-CB 4.18Å; N272-F359 HydrophobicContact CB-CD1 3.93Å; N272-F359 HydrophobicContact CB-CG 4.02Å; N272-F359 WeakPolarHBondContact O-CD2 3.41Å; N272-F359 WeakPolarHBondContact O-CE2 3.35Å; W275-F359 HydrophobicContact CB-CE1 4.41Å; W275-F359 HydrophobicContact CB-CE2 3.99Å; W275-F359 HydrophobicContact CB-CZ 3.53Å; A276-F359 HydrophobicContact CB-CD2 3.6Å; A276-F359 HydrophobicContact CB-CE2 3.84Å; A276-F359 VanDerWaalsContact N-CE2 3.31Å; Q279-F359 VanDerWaalsContact NE2-CZ 3.3Å; F359-N364 CarbonylContact C-O 3.55Å; F359-N364 WeakPolarHBondContact CA-O 3.38Å; F359-N364 WeakPolarHBondContact CB-O 3.29Å
360N75.4Confident62.4Low54 Ų5441.2 Ų41.229%0.28921%0.21SC..  trans-86.2176.4169.872.56.3000111.4A276 S362 G363 N364 L366A276-N360 WeakPolarHBondContact CB-O 3.4Å; N360-S362 PolarHBondContact O-N 3.29Å; N360-S362 VanDerWaalsContact O-N 3.08Å; N360-S362 WeakPolarHBondContact OD1-CA 3.5Å; N360-S362 WeakPolarHBondContact OD1-CB 3.03Å; N360-S362 PolarHBondContact OD1-N 3.45Å; N360-G363 PolarHBondContact O-N 2.95Å; N360-G363 PolarHBondContact OD1-N 2.87Å; N360-G363 VanDerWaalsContact OD1-N 3.16Å; N360-N364 PolarHBondContact N-O 3.43Å; N360-N364 WeakPolarHBondContact OD1-CB 3.46Å; N360-N364 PolarHBondContact OD1-N 3.04Å; N360-L366 HydrophobicContact CB-CD2 4.44Å
361N78.5Confident63.4Low93 Ų9337.4 Ų37.450%0.49719%0.19SC..THydrogen-bonded Turntrans-63.5-13.9178.8-67.212.1000113.8E280 G363E280-N361 PolarHBondContact OE2-ND2 3.47Å; N361-G363 VanDerWaalsContact C-N 3.35Å
362S81Confident64.8Low73 Ų7336.1 Ų36.151%0.5118%0.184SC..THydrogen-bonded Turntrans-89.5-0.5173.6-48.70000112.9N360N360-S362 PolarHBondContact O-N 3.29Å; N360-S362 VanDerWaalsContact O-N 3.08Å; N360-S362 WeakPolarHBondContact OD1-CA 3.5Å; N360-S362 WeakPolarHBondContact OD1-CB 3.03Å; N360-S362 PolarHBondContact OD1-N 3.45Å
363G77.7Confident65.6Low0 Ų033.5 Ų33.50%017%0.17CC..SBendtrans82.46.2-177.300000114.9N272 N360 N361N272-G363 WeakPolarHBondContact CB-O 3.39Å; N272-G363 PolarHBondContact ND2-O 2.99Å; N360-G363 PolarHBondContact O-N 2.95Å; N360-G363 PolarHBondContact OD1-N 2.87Å; N360-G363 VanDerWaalsContact OD1-N 3.16Å; N361-G363 VanDerWaalsContact C-N 3.35Å
364N81.6Confident66.4Low39 Ų3931.7 Ų31.721%0.20917%0.166CC..  trans-81.8133.6179.3-68.2-31.7000111.1F359 N360 S405F359-N364 CarbonylContact C-O 3.55Å; F359-N364 WeakPolarHBondContact CA-O 3.38Å; F359-N364 WeakPolarHBondContact CB-O 3.29Å; N360-N364 PolarHBondContact N-O 3.43Å; N360-N364 WeakPolarHBondContact OD1-CB 3.46Å; N360-N364 PolarHBondContact OD1-N 3.04Å; N364-S405 WeakPolarHBondContact OD1-CB 3Å
365E78.8Confident67.1Low11 Ų1131.5 Ų31.55%0.05117%0.165CC..BIsolated β-bridgetrans-66.3140.1177.7-5585.2172.100111.9N272 R358 S368 T403 S404N272-E365 PolarHBondContact ND2-OE1 3.05Å; R358-E365 CarbonylContact O-C 3.51Å; R358-E365 WeakPolarHBondContact O-CA 3.31Å; E365-S368 VanDerWaalsContact CB-O 3.29Å; E365-S368 WeakPolarHBondContact CB-O 3.43Å; E365-T403 WeakPolarHBondContact O-CG2 3.26Å; E365-T403 VanDerWaalsContact OE2-CA 3.3Å; E365-T403 WeakPolarHBondContact OE2-CA 3.44Å; E365-T403 WeakPolarHBondContact OE2-CB 3.44Å; E365-S404 WeakPolarHBondContact OE1-CB 3.41Å; E365-S404 PolarHBondContact OE1-OG 2.69Å; E365-S404 PolarHBondContact OE2-N 3.31Å
366L71.8Confident67.5Low42 Ų4231.9 Ų31.922%0.2217%0.169CC..SBendtrans-95.6-34.7-177-70.1169.9000112.8N357 R358 N360N357-L366 HydrophobicContact CB-CD1 4.05Å; N357-L366 WeakPolarHBondContact O-CD1 3.35Å; R358-L366 PolarHBondContact O-N 3.29Å; N360-L366 HydrophobicContact CB-CD2 4.44Å
367W65.9Low67.7Low9 Ų930 Ų303%0.03417%0.166CC..SBendtrans-123.6-34.4-167.7-47.4103.8000114.9N357 L382 S392 F395 N396N357-W367 PolarHBondContact O-NE1 2.91Å; W367-L382 HydrophobicContact CB-CB 4.41Å; W367-L382 HydrophobicContact CD2-CB 4.47Å; W367-L382 HydrophobicContact CE3-CD1 4.14Å; W367-L382 HydrophobicContact CG-CB 4.39Å; W367-S392 WeakPolarHBondContact CH2-O 3.46Å; W367-S392 WeakPolarHBondContact CH2-OG 3.46Å; W367-S392 WeakPolarHBondContact CZ2-OG 3.45Å; W367-S392 WeakPolarHBondContact CZ3-O 3.44Å; W367-F395 HydrophobicContact CZ3-CB 3.9Å; W367-N396 HydrophobicContact CH2-CB 3.54Å; W367-N396 WeakPolarHBondContact CH2-ND2 3.48Å; W367-N396 WeakPolarHBondContact CH2-OD1 3.06Å; W367-N396 HydrophobicContact CZ2-CB 4.45Å; W367-N396 VanDerWaalsContact CZ2-ND2 3.26Å; W367-N396 WeakPolarHBondContact CZ2-ND2 3.18Å; W367-N396 WeakPolarHBondContact CZ2-OD1 3.45Å; W367-N396 HydrophobicContact CZ3-CB 3.82Å; W367-N396 WeakPolarHBondContact CZ3-OD1 3.07Å
368S64.9Low67.8Low6 Ų629.4 Ų29.44%0.04216%0.158CC..  trans-146.7129.5-175.954.80000108.7E365 G373E365-S368 VanDerWaalsContact CB-O 3.29Å; E365-S368 WeakPolarHBondContact CB-O 3.43Å; S368-G373 WeakPolarHBondContact OG-CA 3.33Å
369G61.3Low67.5Low2 Ų228.5 Ų28.52%0.02116%0.155CC..  trans-70.6159.4166.500000109.8G371 D372G369-G371 PolarHBondContact O-N 3.34Å; G369-D372 PolarHBondContact O-N 3.45Å
370D66.4Low66.9Low1 Ų127.8 Ų27.81%0.00515%0.153CC..THydrogen-bonded Turntrans-42.9121.2177.9171.745.8000112.9S88 R157 Y264S88-D370 PolarHBondContact N-OD1 2.98Å; R157-D370 IonicContact CZ-OD2 3.25Å; R157-D370 IonicContact NH1-OD2 3.68Å; R157-D370 PolarHBondContact NH1-OD2 3.3Å; R157-D370 IonicContact NH2-OD2 2.79Å; R157-D370 PolarHBondContact NH2-OD2 3.2Å; Y264-D370 WeakPolarHBondContact CE1-OD2 2.71Å; Y264-D370 PolarHBondContact OH-OD1 3.45Å; Y264-D370 PolarHBondContact OH-OD2 2.98Å
371G60.1Low66.3Low0 Ų028.3 Ų28.30%016%0.155CC..THydrogen-bonded Turntrans83.72-179.200000117.6S88 R161 G369 N375S88-G371 WeakPolarHBondContact O-CA 3.38Å; R161-G371 PolarHBondContact NH2-O 3.05Å; G369-G371 PolarHBondContact O-N 3.34Å; G371-N375 PolarHBondContact O-ND2 3.02Å
372D65.5Low65.4Low9 Ų924.3 Ų24.35%0.04813%0.134CC..THydrogen-bonded Turntrans-102.2-12.9172.8-74.6-24.1000113.4R161 C243 G369 I374 T379R161-D372 IonicContact NH2-OD1 3.72Å; R161-D372 PolarHBondContact NH2-OD1 3.23Å; C243-D372 PolarHBondContact SG-OD2 3.04Å; G369-D372 PolarHBondContact O-N 3.45Å; D372-I374 VanDerWaalsContact C-N 3.3Å; D372-I374 PolarHBondContact O-N 2.93Å; D372-T379 PolarHBondContact O-OG1 2.99Å
373G55.7Low64.2Low2 Ų221.2 Ų21.22%0.02111%0.112CC..SBendtrans-73.3-14.7-174.400000114.9S368 G380 S383S368-G373 WeakPolarHBondContact OG-CA 3.33Å; G373-G380 VanDerWaalsContact O-CA 3.22Å; G373-G380 WeakPolarHBondContact O-CA 3.29Å; G373-S383 PolarHBondContact O-OG 3.08Å
374I56.9Low63.2Low47 Ų4725.7 Ų25.724%0.24114%0.135CC..SBendtrans-106.9-18.5-174.9-54.5160.7000111.4I85 E87 L89 D372I85-I374 HydrophobicContact CD1-CD1 3.81Å; I85-I374 HydrophobicContact CD1-CG1 4.23Å; I85-I374 HydrophobicContact CG2-CD1 3.86Å; I85-I374 HydrophobicContact CG2-CG1 4.46Å; E87-I374 HydrophobicContact CB-CD1 4.41Å; L89-I374 HydrophobicContact CB-CD1 4.14Å; L89-I374 HydrophobicContact CD1-CB 3.9Å; L89-I374 HydrophobicContact CD1-CD1 4.14Å; L89-I374 HydrophobicContact CD1-CG2 3.96Å; L89-I374 HydrophobicContact CD2-CG2 4.05Å; L89-I374 HydrophobicContact CG-CD1 4.5Å; D372-I374 VanDerWaalsContact C-N 3.3Å; D372-I374 PolarHBondContact O-N 2.93Å
375N60.2Low61.8Low22 Ų2224.8 Ų24.812%0.11814%0.135CC..SBendtrans-68.6142.3-179.9-73.9-35.8000111.4G371 G377G371-N375 PolarHBondContact O-ND2 3.02Å; N375-G377 PolarHBondContact O-N 3.18Å
376L56.8Low60.8Low81 Ų8129.6 Ų29.642%0.42416%0.16SC..THydrogen-bonded Turntrans-46.8124.8172.8-85.5167.1000110.7Y34 R239Y34-L376 HydrophobicContact CD1-CD1 3.88Å; Y34-L376 HydrophobicContact CE1-CD1 3.17Å; Y34-L376 HydrophobicContact CE1-CG 3.72Å; Y34-L376 HydrophobicContact CE2-CD1 4.01Å; Y34-L376 WeakPolarHBondContact OH-CD1 3.38Å; Y34-L376 WeakPolarHBondContact OH-CD2 3.18Å; Y34-L376 WeakPolarHBondContact OH-CG 3.16Å; R239-L376 PolarHBondContact NH2-O 3.19Å
377G61.2Low60.1Low15 Ų1530.2 Ų30.216%0.15516%0.162CC..THydrogen-bonded Turntrans152.5171.2177.900000112.4N375 T379 G380 I381N375-G377 PolarHBondContact O-N 3.18Å; G377-T379 PolarHBondContact O-N 3.11Å; G377-G380 PolarHBondContact O-N 3.07Å; G377-I381 PolarHBondContact O-N 2.94Å; G377-I381 VanDerWaalsContact O-N 3.13Å
378W62Low59.9Low68 Ų6833.4 Ų33.426%0.25819%0.185SC..Hα-helixtrans-57-31.9175.5-74102.2000112.6G380 I381 L382 M387W378-G380 VanDerWaalsContact C-N 3.34Å; W378-G380 PolarHBondContact O-N 3.07Å; W378-I381 PolarHBondContact O-N 3.27Å; W378-L382 VanDerWaalsContact O-CB 3.24Å; W378-L382 WeakPolarHBondContact O-CB 3.42Å; W378-L382 WeakPolarHBondContact O-CG 3.22Å; W378-L382 PolarHBondContact O-N 3.21Å; W378-M387 HydrophobicContact CH2-CE 4.43Å; W378-M387 HydrophobicContact CZ3-CE 3.72Å; W378-M387 HydrophobicContact CZ3-SD 4.23Å
379T61.7Low59.9Low4 Ų441.9 Ų41.93%0.02522%0.22CC..Hα-helixtrans-59.4-44.2174.153.80000112.1L236 R239 D372 G377 L382 S383L236-T379 HydrophobicContact CD2-CG2 3.4Å; L236-T379 HydrophobicContact CG-CG2 4.43Å; R239-T379 PolarHBondContact NH1-OG1 2.8Å; R239-T379 VanDerWaalsContact NH1-OG1 3.16Å; D372-T379 PolarHBondContact O-OG1 2.99Å; G377-T379 PolarHBondContact O-N 3.11Å; T379-L382 PolarHBondContact O-N 2.74Å; T379-S383 VanDerWaalsContact O-CB 3.24Å; T379-S383 WeakPolarHBondContact O-CB 3.32Å; T379-S383 PolarHBondContact O-N 3.38Å; T379-S383 PolarHBondContact O-OG 3.37Å
380G60.9Low60.2Low5 Ų548.1 Ų48.15%0.05225%0.253CS..Hα-helixtrans-67-40.3176.400000112.7G373 G377 W378 L382 S383 I384G373-G380 VanDerWaalsContact O-CA 3.22Å; G373-G380 WeakPolarHBondContact O-CA 3.29Å; G377-G380 PolarHBondContact O-N 3.07Å; W378-G380 VanDerWaalsContact C-N 3.34Å; W378-G380 PolarHBondContact O-N 3.07Å; G380-L382 VanDerWaalsContact C-N 3.32Å; G380-L382 PolarHBondContact O-N 3.1Å; G380-S383 VanDerWaalsContact CA-OG 3.31Å; G380-S383 WeakPolarHBondContact CA-OG 3.44Å; G380-S383 PolarHBondContact O-N 3.3Å; G380-S383 PolarHBondContact O-OG 2.86Å; G380-I384 VanDerWaalsContact O-CB 3.27Å; G380-I384 WeakPolarHBondContact O-CB 3.46Å; G380-I384 WeakPolarHBondContact O-CD1 3.35Å; G380-I384 WeakPolarHBondContact O-CG1 3.21Å; G380-I384 PolarHBondContact O-N 3.45Å
381I62.5Low60.1Low65 Ų6551.1 Ų51.133%0.33327%0.268SS..Hα-helixtrans-67.1-36.9176.6-61.6170.7000111.2G377 W378 G385 I386 M387G377-I381 PolarHBondContact O-N 2.94Å; G377-I381 VanDerWaalsContact O-N 3.13Å; W378-I381 PolarHBondContact O-N 3.27Å; I381-G385 PolarHBondContact O-N 3.2Å; I381-I386 HydrophobicContact CG2-CB 4.48Å; I381-I386 PolarHBondContact O-N 3.04Å; I381-M387 HydrophobicContact CG2-CE 3.84Å; I381-M387 HydrophobicContact CG2-CG 4.17Å
382L60.5Low60.3Low10 Ų1052.2 Ų52.25%0.05228%0.276CS..Hα-helixtrans-73.6-38.7176.6-71.7169.6000112.2W367 W378 T379 G380 G385 M387 F395W367-L382 HydrophobicContact CB-CB 4.41Å; W367-L382 HydrophobicContact CD2-CB 4.47Å; W367-L382 HydrophobicContact CE3-CD1 4.14Å; W367-L382 HydrophobicContact CG-CB 4.39Å; W378-L382 VanDerWaalsContact O-CB 3.24Å; W378-L382 WeakPolarHBondContact O-CB 3.42Å; W378-L382 WeakPolarHBondContact O-CG 3.22Å; W378-L382 PolarHBondContact O-N 3.21Å; T379-L382 PolarHBondContact O-N 2.74Å; G380-L382 VanDerWaalsContact C-N 3.32Å; G380-L382 PolarHBondContact O-N 3.1Å; L382-G385 WeakPolarHBondContact O-CA 3.38Å; L382-G385 PolarHBondContact O-N 3.28Å; L382-M387 HydrophobicContact CD2-CB 4.03Å; L382-M387 HydrophobicContact CD2-CG 4.07Å; L382-F395 HydrophobicContact CD1-CB 4.12Å; L382-F395 HydrophobicContact CD1-CD1 4.45Å; L382-F395 HydrophobicContact CD1-CG 4.12Å
383S56.2Low60.3Low7 Ų755.2 Ų55.25%0.04930%0.298CS..Hα-helixtrans-69.6-41.6176.467.90000111G373 T379 G380 G385G373-S383 PolarHBondContact O-OG 3.08Å; T379-S383 VanDerWaalsContact O-CB 3.24Å; T379-S383 WeakPolarHBondContact O-CB 3.32Å; T379-S383 PolarHBondContact O-N 3.38Å; T379-S383 PolarHBondContact O-OG 3.37Å; G380-S383 VanDerWaalsContact CA-OG 3.31Å; G380-S383 WeakPolarHBondContact CA-OG 3.44Å; G380-S383 PolarHBondContact O-N 3.3Å; G380-S383 PolarHBondContact O-OG 2.86Å; S383-G385 PolarHBondContact O-N 2.97Å
384I55.7Low60.8Low94 Ų9459.8 Ų59.848%0.48232%0.321SS..Hα-helixtrans-63.4-33.4169.2-63.1163.3000107.8R356 G380 I386R356-I384 WeakPolarHBondContact CD-O 3.34Å; R356-I384 PolarHBondContact NE-O 3.05Å; R356-I384 PolarHBondContact NH1-O 2.88Å; G380-I384 VanDerWaalsContact O-CB 3.27Å; G380-I384 WeakPolarHBondContact O-CB 3.46Å; G380-I384 WeakPolarHBondContact O-CD1 3.35Å; G380-I384 WeakPolarHBondContact O-CG1 3.21Å; G380-I384 PolarHBondContact O-N 3.45Å; I384-I386 HydrophobicContact CG2-CD1 3.86Å; I384-I386 HydrophobicContact CG2-CG1 3.85Å
385G52.8Low61.1Low20 Ų2059 Ų5921%0.20632%0.316CS..THydrogen-bonded Turntrans75.239.7170.200000115.4R356 I381 L382 S383 M387R356-G385 VanDerWaalsContact CZ-O 3.25Å; R356-G385 PolarHBondContact NE-O 2.86Å; R356-G385 PolarHBondContact NH1-O 3.46Å; I381-G385 PolarHBondContact O-N 3.2Å; L382-G385 WeakPolarHBondContact O-CA 3.38Å; L382-G385 PolarHBondContact O-N 3.28Å; S383-G385 PolarHBondContact O-N 2.97Å; G385-M387 PolarHBondContact O-N 3.21Å
386I57.9Low61.2Low112 Ų11260.8 Ų60.857%0.57433%0.326SS*.  trans-71.7-16.6174.8-62170.2000110.8R356 I381 I384R356-I386 VanDerWaalsContact NH1-N 3.18Å; I381-I386 HydrophobicContact CG2-CB 4.48Å; I381-I386 PolarHBondContact O-N 3.04Å; I384-I386 HydrophobicContact CG2-CD1 3.86Å; I384-I386 HydrophobicContact CG2-CG1 3.85Å
387M57.3Low61.5Low55 Ų5563 Ų6327%0.27134%0.337SS..SBendtrans-81140.2-174-73.5-68.3149.100113.4W378 I381 L382 G385 I391W378-M387 HydrophobicContact CH2-CE 4.43Å; W378-M387 HydrophobicContact CZ3-CE 3.72Å; W378-M387 HydrophobicContact CZ3-SD 4.23Å; I381-M387 HydrophobicContact CG2-CE 3.84Å; I381-M387 HydrophobicContact CG2-CG 4.17Å; L382-M387 HydrophobicContact CD2-CB 4.03Å; L382-M387 HydrophobicContact CD2-CG 4.07Å; G385-M387 PolarHBondContact O-N 3.21Å; M387-I391 HydrophobicContact SD-CD1 4.34Å; M387-I391 HydrophobicContact SD-CG2 4.33Å
388P61.2Low61.6Low77 Ų7767.8 Ų67.850%0.535%0.354SS..  trans-51.6142.9169.6-25.932.5000112.7L390 I391 S392P388-L390 PolarHBondContact O-N 3.39Å; P388-L390 VanDerWaalsContact O-N 3.09Å; P388-I391 HydrophobicContact CG-CD1 4.24Å; P388-I391 PolarHBondContact O-N 3.12Å; P388-S392 PolarHBondContact O-N 3.19Å; P388-S392 VanDerWaalsContact O-N 3.1Å
389K65.3Low61.5Low183 Ų18365.1 Ų65.180%0.79635%0.346SS*.Hα-helixtrans-52.1-35.6-178.2-72.3-174.8178.5-178.60114.3S392 S393K389-S392 PolarHBondContact O-N 2.68Å; K389-S393 WeakPolarHBondContact O-CB 3.48Å; K389-S393 PolarHBondContact O-N 3.16Å
390L67.3Low61.7Low134 Ų13467.6 Ų67.670%0.70236%0.363SS*.Hα-helixtrans-62.9-45.4178.9-175.472.1000111.4P388 S393 L394P388-L390 PolarHBondContact O-N 3.39Å; P388-L390 VanDerWaalsContact O-N 3.09Å; L390-S393 PolarHBondContact O-N 3.13Å; L390-L394 PolarHBondContact O-N 3.04Å; L390-L394 VanDerWaalsContact O-N 3.1Å
391I65.5Low62.3Low63 Ų6367.7 Ų67.732%0.32336%0.363SS..Hα-helixtrans-66.2-47.6179.4-62.4-178.1000109.3M387 P388 S393 L394 F395M387-I391 HydrophobicContact SD-CD1 4.34Å; M387-I391 HydrophobicContact SD-CG2 4.33Å; P388-I391 HydrophobicContact CG-CD1 4.24Å; P388-I391 PolarHBondContact O-N 3.12Å; I391-S393 PolarHBondContact O-N 3.42Å; I391-L394 PolarHBondContact O-N 2.67Å; I391-L394 VanDerWaalsContact O-N 3.16Å; I391-F395 HydrophobicContact CG2-CD2 3.72Å; I391-F395 HydrophobicContact CG2-CE2 3.6Å; I391-F395 VanDerWaalsContact O-CD2 3.27Å; I391-F395 WeakPolarHBondContact O-CD2 3.45Å; I391-F395 PolarHBondContact O-N 3.04Å
392S62.4Low63.1Low24 Ų2464.7 Ų64.717%0.16835%0.348CS..Hα-helixtrans-51.2-54.8172.3165.60000110.6W367 P388 K389 L394 F395 N396W367-S392 WeakPolarHBondContact CH2-O 3.46Å; W367-S392 WeakPolarHBondContact CH2-OG 3.46Å; W367-S392 WeakPolarHBondContact CZ2-OG 3.45Å; W367-S392 WeakPolarHBondContact CZ3-O 3.44Å; P388-S392 PolarHBondContact O-N 3.19Å; P388-S392 VanDerWaalsContact O-N 3.1Å; K389-S392 PolarHBondContact O-N 2.68Å; S392-L394 VanDerWaalsContact C-N 3.26Å; S392-L394 PolarHBondContact O-N 3.1Å; S392-L394 VanDerWaalsContact O-N 3.15Å; S392-F395 PolarHBondContact O-N 3.25Å; S392-N396 PolarHBondContact O-N 2.89Å
393S65.8Low64.2Low72 Ų7265 Ų6550%0.50335%0.35SS..Hα-helixtrans-54.6-38179-169.30000114.1K389 L390 I391 N396K389-S393 WeakPolarHBondContact O-CB 3.48Å; K389-S393 PolarHBondContact O-N 3.16Å; L390-S393 PolarHBondContact O-N 3.13Å; I391-S393 PolarHBondContact O-N 3.42Å; S393-N396 WeakPolarHBondContact O-CB 3.44Å; S393-N396 PolarHBondContact O-N 3.13Å
394L67.6Low65.7Low98 Ų9864.7 Ų64.751%0.51335%0.348SS..Hα-helixtrans-67-44.2176-74.2169.4000111.6L390 I391 S392 N396 L397 F398L390-L394 PolarHBondContact O-N 3.04Å; L390-L394 VanDerWaalsContact O-N 3.1Å; I391-L394 PolarHBondContact O-N 2.67Å; I391-L394 VanDerWaalsContact O-N 3.16Å; S392-L394 VanDerWaalsContact C-N 3.26Å; S392-L394 PolarHBondContact O-N 3.1Å; S392-L394 VanDerWaalsContact O-N 3.15Å; L394-N396 VanDerWaalsContact C-N 3.28Å; L394-N396 PolarHBondContact O-N 3.31Å; L394-L397 WeakPolarHBondContact O-CB 3.38Å; L394-L397 PolarHBondContact O-N 2.94Å; L394-F398 VanDerWaalsContact O-CD2 3.3Å; L394-F398 WeakPolarHBondContact O-CD2 3.19Å
395F63.2Low67.2Low29 Ų2961.5 Ų61.513%0.12733%0.334CS..Hα-helixtrans-64.6-33.2176.1-81.5-78.8000112.2F229 H232 W367 L382 I391 S392 L397 F398 S399F229-F395 HydrophobicContact CD2-CD1 4.45Å; F229-F395 AromaticContact CD2-CE1 3.9Å; F229-F395 HydrophobicContact CD2-CE1 3.9Å; F229-F395 HydrophobicContact CD2-CZ 4.48Å; F229-F395 HydrophobicContact CE2-CD1 4.41Å; F229-F395 HydrophobicContact CE2-CE1 4.31Å; H232-F395 AromaticContact CD2-CD1 3.89Å; H232-F395 AromaticContact CD2-CE1 3.75Å; W367-F395 HydrophobicContact CZ3-CB 3.9Å; L382-F395 HydrophobicContact CD1-CB 4.12Å; L382-F395 HydrophobicContact CD1-CD1 4.45Å; L382-F395 HydrophobicContact CD1-CG 4.12Å; I391-F395 HydrophobicContact CG2-CD2 3.72Å; I391-F395 HydrophobicContact CG2-CE2 3.6Å; I391-F395 VanDerWaalsContact O-CD2 3.27Å; I391-F395 WeakPolarHBondContact O-CD2 3.45Å; I391-F395 PolarHBondContact O-N 3.04Å; S392-F395 PolarHBondContact O-N 3.25Å; F395-L397 PolarHBondContact O-N 3.2Å; F395-F398 PolarHBondContact O-N 3.3Å; F395-S399 WeakPolarHBondContact O-CB 3.37Å; F395-S399 PolarHBondContact O-N 2.88Å; F395-S399 PolarHBondContact O-OG 3.14Å; F395-S399 VanDerWaalsContact O-OG 3.11Å
396N61.5Low68.9Low61 Ų6163.3 Ų63.333%0.32634%0.337SS..Hα-helixtrans-60.5-27.9178.3-109.9-7.5000112.8W367 S392 S393 L394 F398W367-N396 HydrophobicContact CH2-CB 3.54Å; W367-N396 WeakPolarHBondContact CH2-ND2 3.48Å; W367-N396 WeakPolarHBondContact CH2-OD1 3.06Å; W367-N396 HydrophobicContact CZ2-CB 4.45Å; W367-N396 VanDerWaalsContact CZ2-ND2 3.26Å; W367-N396 WeakPolarHBondContact CZ2-ND2 3.18Å; W367-N396 WeakPolarHBondContact CZ2-OD1 3.45Å; W367-N396 HydrophobicContact CZ3-CB 3.82Å; W367-N396 WeakPolarHBondContact CZ3-OD1 3.07Å; S392-N396 PolarHBondContact O-N 2.89Å; S393-N396 WeakPolarHBondContact O-CB 3.44Å; S393-N396 PolarHBondContact O-N 3.13Å; L394-N396 VanDerWaalsContact C-N 3.28Å; L394-N396 PolarHBondContact O-N 3.31Å; N396-F398 PolarHBondContact O-N 2.77Å
397L62.1Low70.4Confident127 Ų12758.1 Ų58.167%0.66531%0.31SS*.THydrogen-bonded Turntrans-70.1-20.3178.6-67169.5000112.7L394 F395L394-L397 WeakPolarHBondContact O-CB 3.38Å; L394-L397 PolarHBondContact O-N 2.94Å; F395-L397 PolarHBondContact O-N 3.2Å
398F64.5Low72.1Confident115 Ų11558.7 Ų58.750%0.50431%0.31SS..THydrogen-bonded Turntrans-123.3-17.1-172.6-56.9-76.5000113.2F229 Q233 L394 F395 N396F229-F398 HydrophobicContact CE2-CB 4.25Å; F229-F398 AromaticContact CE2-CD2 3.92Å; F229-F398 HydrophobicContact CE2-CD2 3.92Å; F229-F398 HydrophobicContact CE2-CG 4.23Å; F229-F398 HydrophobicContact CZ-CB 3.84Å; F229-F398 HydrophobicContact CZ-CD1 4.17Å; F229-F398 AromaticContact CZ-CD2 3.56Å; F229-F398 HydrophobicContact CZ-CD2 3.56Å; F229-F398 HydrophobicContact CZ-CE2 4.13Å; F229-F398 AromaticContact CZ-CG 3.59Å; F229-F398 HydrophobicContact CZ-CG 3.59Å; Q233-F398 VanDerWaalsContact NE2-CB 3.27Å; Q233-F398 PolarHBondContact OE1-O 3.11Å; L394-F398 VanDerWaalsContact O-CD2 3.3Å; L394-F398 WeakPolarHBondContact O-CD2 3.19Å; F395-F398 PolarHBondContact O-N 3.3Å; N396-F398 PolarHBondContact O-N 2.77Å
399S59.4Low73.5Confident12 Ų1259.8 Ų59.88%0.08431%0.308CS..  trans-89.6111.4-180-64.10000111.2F395F395-S399 WeakPolarHBondContact O-CB 3.37Å; F395-S399 PolarHBondContact O-N 2.88Å; F395-S399 PolarHBondContact O-OG 3.14Å; F395-S399 VanDerWaalsContact O-OG 3.11Å
400S66.3Low74.7Confident56 Ų5652.9 Ų52.939%0.39228%0.279SS..  trans-119.983.3168.5-1720000108.9Q406S400-Q406 PolarHBondContact OG-NE2 3.34Å
401P73.3Confident75.8Confident8 Ų846.5 Ų46.55%0.05225%0.245CC..  trans-59.1160.6171.228.5-35.5000110.2T403 Q406P401-T403 VanDerWaalsContact C-N 3.27Å; P401-T403 HydrophobicContact CG-CG2 4.31Å; P401-T403 PolarHBondContact O-N 3.47Å; P401-Q406 PolarHBondContact O-OE1 3.36Å
402A79.3Confident77Confident2 Ų247.4 Ų47.42%0.01725%0.25CS..  trans-6690.2166.800000108.7R240 C243 L244 R407R240-A402 HydrophobicContact CG-CB 4.08Å; C243-A402 HydrophobicContact CB-CB 4.09Å; L244-A402 HydrophobicContact CD2-CB 4.24Å; L244-A402 HydrophobicContact CG-CB 4.31Å; A402-R407 HydrophobicContact CB-CG 4.17Å
403T84.4Confident78.3Confident16 Ų1653.9 Ų53.910%0.09828%0.277CS..  trans-68.2155.8-179.164.80000110.6E365 P401 S405 Q406 R407E365-T403 WeakPolarHBondContact O-CG2 3.26Å; E365-T403 VanDerWaalsContact OE2-CA 3.3Å; E365-T403 WeakPolarHBondContact OE2-CA 3.44Å; E365-T403 WeakPolarHBondContact OE2-CB 3.44Å; P401-T403 VanDerWaalsContact C-N 3.27Å; P401-T403 HydrophobicContact CG-CG2 4.31Å; P401-T403 PolarHBondContact O-N 3.47Å; T403-S405 PolarHBondContact O-N 3.37Å; T403-Q406 PolarHBondContact O-N 2.78Å; T403-Q406 WeakPolarHBondContact OG1-CG 3.49Å; T403-Q406 PolarHBondContact OG1-N 3.39Å; T403-R407 WeakPolarHBondContact O-CG 3.15Å; T403-R407 PolarHBondContact O-N 3.23Å
404S87Confident79.2Confident1 Ų152.5 Ų52.51%0.00726%0.264CS..Hα-helixtrans-56.7-36.6176.1-68.80000111.8R268 E365 R407 Y408R268-S404 VanDerWaalsContact CG-OG 3.24Å; R268-S404 WeakPolarHBondContact CG-OG 3.49Å; E365-S404 WeakPolarHBondContact OE1-CB 3.41Å; E365-S404 PolarHBondContact OE1-OG 2.69Å; E365-S404 PolarHBondContact OE2-N 3.31Å; S404-R407 PolarHBondContact O-N 3.36Å; S404-Y408 WeakPolarHBondContact O-CB 3.28Å; S404-Y408 PolarHBondContact O-N 2.91Å
405S87.4Confident79.2Confident27 Ų2756.3 Ų56.319%0.18928%0.279CS..Hα-helixtrans-64.3-44.7173.1168.10000112.7N364 T403 R407 Y408 H409N364-S405 WeakPolarHBondContact OD1-CB 3Å; T403-S405 PolarHBondContact O-N 3.37Å; S405-R407 VanDerWaalsContact C-N 3.33Å; S405-R407 PolarHBondContact O-N 3Å; S405-Y408 PolarHBondContact O-N 3.07Å; S405-H409 PolarHBondContact O-CD2 3.37Å; S405-H409 PolarHBondContact O-N 3.14Å; S405-H409 PolarHBondContact OG-CD2 3.09Å
406Q87.5Confident79.3Confident57 Ų5756.9 Ų56.927%0.26629%0.285SS..Hα-helixtrans-61.8-42.3176.1-75.91782.700111.9S400 P401 T403 H409 Q410S400-Q406 PolarHBondContact OG-NE2 3.34Å; P401-Q406 PolarHBondContact O-OE1 3.36Å; T403-Q406 PolarHBondContact O-N 2.78Å; T403-Q406 WeakPolarHBondContact OG1-CG 3.49Å; T403-Q406 PolarHBondContact OG1-N 3.39Å; Q406-H409 PolarHBondContact O-N 3.01Å; Q406-Q410 WeakPolarHBondContact O-CB 3.4Å; Q406-Q410 PolarHBondContact O-N 3.36Å
407R90.4Very high79Confident3 Ų362.6 Ų62.61%0.01131%0.307CS..Hα-helixtrans-65.7-44.2178.3-62.5174.186.4176.75.4110.6R157 C243 L244 D247 Y265 A402 T403 S404 S405 Q410 L411R157-R407 VanDerWaalsContact NH1-NH1 3.19Å; C243-R407 PolarHBondContact O-NH2 3.43Å; L244-R407 HydrophobicContact CD2-CG 3.95Å; D247-R407 VanDerWaalsContact CG-NH2 3.25Å; D247-R407 IonicContact OD1-CZ 2.83Å; D247-R407 IonicContact OD1-NE 3.9Å; D247-R407 IonicContact OD1-NH2 2.86Å; D247-R407 PolarHBondContact OD1-NH2 3Å; D247-R407 IonicContact OD2-CZ 2.71Å; D247-R407 VanDerWaalsContact OD2-CZ 3.27Å; D247-R407 IonicContact OD2-NE 3.08Å; D247-R407 PolarHBondContact OD2-NE 3.31Å; D247-R407 IonicContact OD2-NH2 3.92Å; D247-R407 PolarHBondContact OD2-NH2 3.17Å; D247-R407 VanDerWaalsContact OD2-NH2 3.07Å; Y265-R407 HydrophobicContact CD1-CB 4.15Å; Y265-R407 HydrophobicContact CD2-CB 3.89Å; Y265-R407 HydrophobicContact CE1-CB 3.94Å; Y265-R407 HydrophobicContact CE1-CG 4.44Å; Y265-R407 HydrophobicContact CE2-CB 3.64Å; Y265-R407 HydrophobicContact CG-CB 4.17Å; Y265-R407 PolarHBondContact OH-NE 3.12Å; Y265-R407 PolarHBondContact OH-NH1 3.5Å; Y265-R407 PolarHBondContact OH-NH2 2.89Å; A402-R407 HydrophobicContact CB-CG 4.17Å; T403-R407 WeakPolarHBondContact O-CG 3.15Å; T403-R407 PolarHBondContact O-N 3.23Å; S404-R407 PolarHBondContact O-N 3.36Å; S405-R407 VanDerWaalsContact C-N 3.33Å; S405-R407 PolarHBondContact O-N 3Å; R407-Q410 PolarHBondContact O-N 3.1Å; R407-L411 WeakPolarHBondContact O-CG 3.34Å; R407-L411 PolarHBondContact O-N 3.03Å
408Y92.1Very high78Confident68 Ų6862.5 Ų62.527%0.26731%0.312SS..Hα-helixtrans-56.7-51174.1-176-93.8000112.3L262 D266 S404 S405 Q410 L411 I412L262-Y408 HydrophobicContact CB-CE2 4.13Å; L262-Y408 HydrophobicContact CD2-CD2 3.96Å; L262-Y408 HydrophobicContact CD2-CE2 3.85Å; L262-Y408 HydrophobicContact CD2-CG 4.48Å; L262-Y408 WeakPolarHBondContact O-CD2 3.12Å; L262-Y408 WeakPolarHBondContact O-CE2 3.28Å; D266-Y408 HydrophobicContact CB-CE2 4.09Å; S404-Y408 WeakPolarHBondContact O-CB 3.28Å; S404-Y408 PolarHBondContact O-N 2.91Å; S405-Y408 PolarHBondContact O-N 3.07Å; Y408-Q410 VanDerWaalsContact C-N 3.35Å; Y408-Q410 PolarHBondContact O-N 3.47Å; Y408-L411 PolarHBondContact O-N 3.32Å; Y408-L411 VanDerWaalsContact O-N 3.15Å; Y408-I412 HydrophobicContact CD1-CD1 3.74Å; Y408-I412 HydrophobicContact CD1-CG1 4.48Å; Y408-I412 HydrophobicContact CE1-CD1 3.25Å; Y408-I412 HydrophobicContact CE1-CG1 4.21Å; Y408-I412 PolarHBondContact O-N 3.42Å; Y408-I412 VanDerWaalsContact O-N 3.12Å
409H90.6Very high77.1Confident99 Ų9963.7 Ų63.746%0.45832%0.322SS..Hα-helixtrans-61.7-42178.3-76.1-61.9000112.4S405 Q406 L411 I412 E413S405-H409 PolarHBondContact O-CD2 3.37Å; S405-H409 PolarHBondContact O-N 3.14Å; S405-H409 PolarHBondContact OG-CD2 3.09Å; Q406-H409 PolarHBondContact O-N 3.01Å; H409-L411 VanDerWaalsContact C-N 3.3Å; H409-L411 PolarHBondContact O-N 3.38Å; H409-I412 WeakPolarHBondContact O-CB 3.31Å; H409-I412 PolarHBondContact O-N 3.1Å; H409-E413 PolarHBondContact O-N 3.21Å; H409-E413 VanDerWaalsContact O-N 3.15Å
410Q90.9Very high75.8Confident39 Ų3971.6 Ų71.618%0.18238%0.377CS..Hα-helixtrans-59-43.1174.7-176.8179.648.900111.5Q406 R407 Y408 I412 E413 L414Q406-Q410 WeakPolarHBondContact O-CB 3.4Å; Q406-Q410 PolarHBondContact O-N 3.36Å; R407-Q410 PolarHBondContact O-N 3.1Å; Y408-Q410 VanDerWaalsContact C-N 3.35Å; Y408-Q410 PolarHBondContact O-N 3.47Å; Q410-I412 VanDerWaalsContact C-N 3.28Å; Q410-I412 PolarHBondContact O-N 3.15Å; Q410-E413 PolarHBondContact O-N 3.47Å; Q410-L414 HydrophobicContact CG-CD1 4.38Å; Q410-L414 HydrophobicContact CG-CG 4.42Å; Q410-L414 VanDerWaalsContact O-CG 3.28Å; Q410-L414 WeakPolarHBondContact O-CG 3.49Å; Q410-L414 PolarHBondContact O-N 2.98Å
411L91.1Very high76.3Confident0 Ų072.4 Ų72.40%038%0.377CS..Hα-helixtrans-65.4-29.9179-69.4-166.4000113.7F153 D247 C251 R258 L262 Y265 R407 Y408 H409 L414F153-L411 HydrophobicContact CE2-CD1 4.38Å; F153-L411 HydrophobicContact CZ-CD1 4.2Å; D247-L411 HydrophobicContact CB-CD2 4.07Å; C251-L411 WeakPolarHBondContact SG-CD2 3.37Å; R258-L411 WeakPolarHBondContact CD-O 2.94Å; R258-L411 PolarHBondContact NH1-O 2.95Å; R258-L411 VanDerWaalsContact NH1-O 3.14Å; L262-L411 HydrophobicContact CD2-CB 3.66Å; L262-L411 HydrophobicContact CG-CB 4.28Å; Y265-L411 HydrophobicContact CD2-CD1 3.83Å; Y265-L411 HydrophobicContact CE2-CD1 3.77Å; Y265-L411 HydrophobicContact CE2-CG 4.46Å; R407-L411 WeakPolarHBondContact O-CG 3.34Å; R407-L411 PolarHBondContact O-N 3.03Å; Y408-L411 PolarHBondContact O-N 3.32Å; Y408-L411 VanDerWaalsContact O-N 3.15Å; H409-L411 VanDerWaalsContact C-N 3.3Å; H409-L411 PolarHBondContact O-N 3.38Å; L411-L414 HydrophobicContact CD2-CD1 3.66Å
412I90.9Very high76.5Confident82 Ų8275.7 Ų75.742%0.42139%0.394SS..Hα-helixtrans-66.6-45.8173.1-68.9175.5000110.4L262 Y408 H409 Q410 L414L262-I412 HydrophobicContact CD2-CG1 3.64Å; Y408-I412 HydrophobicContact CD1-CD1 3.74Å; Y408-I412 HydrophobicContact CD1-CG1 4.48Å; Y408-I412 HydrophobicContact CE1-CD1 3.25Å; Y408-I412 HydrophobicContact CE1-CG1 4.21Å; Y408-I412 PolarHBondContact O-N 3.42Å; Y408-I412 VanDerWaalsContact O-N 3.12Å; H409-I412 WeakPolarHBondContact O-CB 3.31Å; H409-I412 PolarHBondContact O-N 3.1Å; Q410-I412 VanDerWaalsContact C-N 3.28Å; Q410-I412 PolarHBondContact O-N 3.15Å; I412-L414 VanDerWaalsContact C-N 3.31Å; I412-L414 PolarHBondContact O-N 3.31Å
413E89.2Confident76.3Confident159 Ų15979.8 Ų79.874%0.74342%0.415SS*.Hα-helixtrans-75.4-17.1-176.2-68.5176.6-177.900113.7H409 Q410 E415H409-E413 PolarHBondContact O-N 3.21Å; H409-E413 VanDerWaalsContact O-N 3.15Å; Q410-E413 PolarHBondContact O-N 3.47Å; E413-E415 PolarHBondContact O-N 3.09Å
414L83.8Confident75.8Confident44 Ų4483.6 Ų83.623%0.2343%0.433CS..  trans-67.8105.9176.9-78.1170.2000110.8Q248 Q410 L411 I412 V416Q248-L414 HydrophobicContact CG-CD1 3.9Å; Q248-L414 HydrophobicContact CG-CD2 4.05Å; Q410-L414 HydrophobicContact CG-CD1 4.38Å; Q410-L414 HydrophobicContact CG-CG 4.42Å; Q410-L414 VanDerWaalsContact O-CG 3.28Å; Q410-L414 WeakPolarHBondContact O-CG 3.49Å; Q410-L414 PolarHBondContact O-N 2.98Å; L411-L414 HydrophobicContact CD2-CD1 3.66Å; I412-L414 VanDerWaalsContact C-N 3.31Å; I412-L414 PolarHBondContact O-N 3.31Å; L414-V416 PolarHBondContact O-N 3Å; L414-V416 VanDerWaalsContact O-N 3.13Å
415E69.4Low75.1Confident177 Ų17788.8 Ų88.883%0.82746%0.46SS*.  trans-65.5106.2162.7-70.9-175.8171.100109.2E413 K417E413-E415 PolarHBondContact O-N 3.09Å; E415-K417 PolarHBondContact O-N 2.68Å
416V63.9Low74.3Confident41 Ų4192.9 Ų92.925%0.24848%0.478CS..  trans-72103.4171-1770000107.2E255 R258 L414 T418E255-V416 WeakPolarHBondContact OE2-CG2 3.43Å; R258-V416 HydrophobicContact CB-CG2 4.37Å; R258-V416 VanDerWaalsContact CD-CG2 3.47Å; R258-V416 HydrophobicContact CG-CG2 4.48Å; L414-V416 PolarHBondContact O-N 3Å; L414-V416 VanDerWaalsContact O-N 3.13Å; V416-T418 PolarHBondContact O-N 3.13Å
417K54.6Low73.4Confident181 Ų18195.4 Ų95.479%0.78749%0.493SS*.  trans-63.9105.2164.8-69.9-173.4179.2-176.20107.1E415 I419E415-K417 PolarHBondContact O-N 2.68Å; K417-I419 PolarHBondContact O-N 3.42Å; K417-I419 VanDerWaalsContact O-N 3.07Å
418T42.4Very low72.1Confident126 Ų126102.5 Ų102.577%0.77353%0.53SS*.  trans-56.8112.4169.127.60000108.1V416 S420V416-T418 PolarHBondContact O-N 3.13Å; T418-S420 PolarHBondContact O-N 3.37Å; T418-S420 VanDerWaalsContact O-N 3.16Å
419I45.9Very low70.4Confident139 Ų139105.4 Ų105.471%0.71355%0.552SS**  trans-74.8101.1165.6-56.3174.3000104.7T168 K417T168-I419 HydrophobicContact CG2-CD1 4.14Å; K417-I419 PolarHBondContact O-N 3.42Å; K417-I419 VanDerWaalsContact O-N 3.07Å
420S32.3Very low68.6Low178 Ų178106 Ų106100%1.24556%0.561SS**  trans-74.20170.559.20000111.3T418T418-S420 PolarHBondContact O-N 3.37Å; T418-S420 VanDerWaalsContact O-N 3.16Å

Retrieved 420 of 420 residues in 173.7 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).