A0A077ZL05_TRITR Loading...

DUF218 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZL05, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 241 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
1M88.9Confident95.6Very high91 Ų9163.5 Ų63.545%0.44837%0.371SS..  0-52.20-65.9-51.8117.100112.9L3 I4 I5 A31M1-L3 VanDerWaalsContact C-N 3.31Å; M1-L3 PolarHBondContact O-N 3.36Å; M1-I4 HydrophobicContact CE-CD1 3.8Å; M1-I4 WeakPolarHBondContact O-CB 3.08Å; M1-I4 PolarHBondContact O-N 3.09Å; M1-I4 HydrophobicContact SD-CD1 4.2Å; M1-I5 WeakPolarHBondContact O-CG1 3.42Å; M1-I5 PolarHBondContact O-N 3.02Å; M1-A31 HydrophobicContact CG-CB 4.48Å; M1-A31 HydrophobicContact SD-CB 3.59Å; M1-A31 VanDerWaalsContact SD-CB 3.59Å
2L92.7Very high95.6Very high138 Ų13861.9 Ų61.972%0.72336%0.36SS*.Hα-helixtrans-56.2-39.8179-64.7178.1000114I4 I5 G6L2-I4 VanDerWaalsContact C-N 3.32Å; L2-I4 PolarHBondContact O-N 3.48Å; L2-I5 PolarHBondContact O-N 3.01Å; L2-G6 PolarHBondContact O-N 3.16Å
3L95.3Very high95.7Very high156 Ų15671.1 Ų71.182%0.81739%0.385SS*.Hα-helixtrans-61.4-38.6174.8-67.3175.9000112.8M1 G6 A7M1-L3 VanDerWaalsContact C-N 3.31Å; M1-L3 PolarHBondContact O-N 3.36Å; L3-G6 PolarHBondContact O-N 3.23Å; L3-A7 WeakPolarHBondContact O-CB 3.36Å; L3-A7 PolarHBondContact O-N 3.42Å
4I94.9Very high95.7Very high64 Ų6478.3 Ų78.333%0.32841%0.411SS..Hα-helixtrans-68-45.2177.7-60.8174.8000109.8M1 L2 A7 G8 F24M1-I4 HydrophobicContact CE-CD1 3.8Å; M1-I4 WeakPolarHBondContact O-CB 3.08Å; M1-I4 PolarHBondContact O-N 3.09Å; M1-I4 HydrophobicContact SD-CD1 4.2Å; L2-I4 VanDerWaalsContact C-N 3.32Å; L2-I4 PolarHBondContact O-N 3.48Å; I4-A7 PolarHBondContact O-N 3.48Å; I4-G8 PolarHBondContact O-N 3.15Å; I4-F24 HydrophobicContact CG2-CB 4.08Å; I4-F24 HydrophobicContact CG2-CG 4.34Å
5I96.8Very high95.6Very high17 Ų1775.4 Ų75.49%0.08740%0.4CS..Hα-helixtrans-62.3-44.7176.7-63170.5000110.2M1 L2 G8 L9M1-I5 WeakPolarHBondContact O-CG1 3.42Å; M1-I5 PolarHBondContact O-N 3.02Å; L2-I5 PolarHBondContact O-N 3.01Å; I5-G8 CarbonylContact O-C 3.56Å; I5-G8 WeakPolarHBondContact O-CA 3.47Å; I5-G8 PolarHBondContact O-N 3.45Å; I5-G8 VanDerWaalsContact O-N 3.16Å; I5-L9 HydrophobicContact CG2-CD1 4.27Å; I5-L9 WeakPolarHBondContact O-CG 3.41Å; I5-L9 PolarHBondContact O-N 3.47Å
6G97Very high95.5Very high37 Ų3783.9 Ų83.938%0.38143%0.425SS..Hα-helixtrans-63-45.1177.800000112.9L2 L3 G8 L9 A10L2-G6 PolarHBondContact O-N 3.16Å; L3-G6 PolarHBondContact O-N 3.23Å; G6-G8 VanDerWaalsContact C-N 3.26Å; G6-G8 PolarHBondContact O-N 2.9Å; G6-L9 PolarHBondContact O-N 2.96Å; G6-A10 PolarHBondContact O-N 2.93Å
7A96.6Very high95.4Very high45 Ų4584.5 Ų84.537%0.37242%0.424SS..Hα-helixtrans-60.1-39.9171.700000111.3L3 I4 A10 L11 F24L3-A7 WeakPolarHBondContact O-CB 3.36Å; L3-A7 PolarHBondContact O-N 3.42Å; I4-A7 PolarHBondContact O-N 3.48Å; A7-A10 PolarHBondContact O-N 2.95Å; A7-L11 VanDerWaalsContact O-CG 3.32Å; A7-L11 WeakPolarHBondContact O-CG 3.32Å; A7-L11 PolarHBondContact O-N 3.06Å; A7-F24 HydrophobicContact CB-CD2 4.28Å
8G97.5Very high95.4Very high0 Ų085.4 Ų85.40%043%0.427CS..Hα-helixtrans-61.6-43.6174.600000113.2I4 I5 G6 L11 L12 G21I4-G8 PolarHBondContact O-N 3.15Å; I5-G8 CarbonylContact O-C 3.56Å; I5-G8 WeakPolarHBondContact O-CA 3.47Å; I5-G8 PolarHBondContact O-N 3.45Å; I5-G8 VanDerWaalsContact O-N 3.16Å; G6-G8 VanDerWaalsContact C-N 3.26Å; G6-G8 PolarHBondContact O-N 2.9Å; G8-L11 PolarHBondContact O-N 3.5Å; G8-L12 WeakPolarHBondContact O-CB 3.36Å; G8-L12 PolarHBondContact O-N 2.95Å; G8-G21 VanDerWaalsContact O-CA 3.28Å; G8-G21 WeakPolarHBondContact O-CA 3.44Å
9L97.3Very high95.4Very high63 Ų6390.3 Ų90.333%0.3345%0.445SS..Hα-helixtrans-64.2-42.6174.8-72.6169.5000111.8I5 G6 L11 L12 W13 I25I5-L9 HydrophobicContact CG2-CD1 4.27Å; I5-L9 WeakPolarHBondContact O-CG 3.41Å; I5-L9 PolarHBondContact O-N 3.47Å; G6-L9 PolarHBondContact O-N 2.96Å; L9-L11 PolarHBondContact O-N 3.28Å; L9-L12 WeakPolarHBondContact O-CB 3.5Å; L9-L12 PolarHBondContact O-N 3.46Å; L9-L12 VanDerWaalsContact O-N 3.15Å; L9-W13 PolarHBondContact O-N 2.91Å; L9-I25 HydrophobicContact CD2-CD1 3.76Å; L9-I25 HydrophobicContact CD2-CG1 4.48Å; L9-I25 HydrophobicContact CG-CD1 4.09Å; L9-I25 HydrophobicContact CG-CG1 4.37Å
10A97.1Very high95.4Very high47 Ų4788.6 Ų88.639%0.38844%0.44SS..Hα-helixtrans-61.8-43.5176.300000111.9G6 A7 L12 W13 F14G6-A10 PolarHBondContact O-N 2.93Å; A7-A10 PolarHBondContact O-N 2.95Å; A10-L12 VanDerWaalsContact C-N 3.3Å; A10-L12 PolarHBondContact O-N 3.33Å; A10-W13 PolarHBondContact O-N 3.2Å; A10-F14 WeakPolarHBondContact O-CB 3.39Å; A10-F14 PolarHBondContact O-N 3.44Å
11L97.2Very high95.5Very high40 Ų4084.3 Ų84.321%0.20942%0.419CS..Hα-helixtrans-65.2-33.1174.3-69.8175000112.6A7 G8 L9 S15 F17 T20 F24A7-L11 VanDerWaalsContact O-CG 3.32Å; A7-L11 WeakPolarHBondContact O-CG 3.32Å; A7-L11 PolarHBondContact O-N 3.06Å; G8-L11 PolarHBondContact O-N 3.5Å; L9-L11 PolarHBondContact O-N 3.28Å; L11-S15 WeakPolarHBondContact O-CB 3.44Å; L11-S15 PolarHBondContact O-N 2.88Å; L11-F17 HydrophobicContact CD2-CB 4.27Å; L11-F17 HydrophobicContact CD2-CD2 4.49Å; L11-T20 HydrophobicContact CD1-CG2 3.93Å; L11-F24 HydrophobicContact CD1-CD2 3.98Å; L11-F24 HydrophobicContact CD1-CE2 3.98Å
12L96.1Very high95.9Very high45 Ų4586 Ų8624%0.23642%0.424CS..Hα-helixtrans-70.9-41.3178.3-172.768000112G8 L9 A10 Q18 K22 I25G8-L12 WeakPolarHBondContact O-CB 3.36Å; G8-L12 PolarHBondContact O-N 2.95Å; L9-L12 WeakPolarHBondContact O-CB 3.5Å; L9-L12 PolarHBondContact O-N 3.46Å; L9-L12 VanDerWaalsContact O-N 3.15Å; A10-L12 VanDerWaalsContact C-N 3.3Å; A10-L12 PolarHBondContact O-N 3.33Å; L12-Q18 HydrophobicContact CD1-CB 4.25Å; L12-K22 HydrophobicContact CD1-CG 3.97Å; L12-I25 HydrophobicContact CB-CD1 4.39Å; L12-I25 HydrophobicContact CD2-CD1 3.89Å
13W96.5Very high96.1Very high181 Ų18183.8 Ų83.869%0.68641%0.412SS*.Hα-helixtrans-90.3-33.5-174.4-68.7-10.5000114.4L9 A10L9-W13 PolarHBondContact O-N 2.91Å; A10-W13 PolarHBondContact O-N 3.2Å
14F96Very high96.2Very high172 Ų17280.1 Ų80.175%0.75439%0.389SS*.Hα-helixtrans-120.56.3-169-55.8-68.7000114.4A10A10-F14 WeakPolarHBondContact O-CB 3.39Å; A10-F14 PolarHBondContact O-N 3.44Å
15S93.8Very high96.3Very high35 Ų3578.5 Ų78.525%0.24538%0.381CS..  trans-134.7155.6-175.5-169.80000113.6L11 F17 Q18L11-S15 WeakPolarHBondContact O-CB 3.44Å; L11-S15 PolarHBondContact O-N 2.88Å; S15-F17 PolarHBondContact O-N 3.41Å; S15-F17 WeakPolarHBondContact OG-CD2 3.28Å; S15-F17 PolarHBondContact OG-N 3.36Å; S15-Q18 WeakPolarHBondContact O-CG 3.32Å
16R94.1Very high96.4Very high211 Ų21181.4 Ų81.480%0.79640%0.403SS*.SBendtrans-67.9-15166.666.8-17817894.7-4.6112.9Q18R16-Q18 PolarHBondContact O-N 3.16Å; R16-Q18 VanDerWaalsContact O-N 3.09Å
17F93.5Very high96.4Very high94 Ų9484.2 Ų84.241%0.41241%0.408SS..  trans-83.938.7-178.4-56.6-63.1000113.2L11 S15 K19 T20 G21L11-F17 HydrophobicContact CD2-CB 4.27Å; L11-F17 HydrophobicContact CD2-CD2 4.49Å; S15-F17 PolarHBondContact O-N 3.41Å; S15-F17 WeakPolarHBondContact OG-CD2 3.28Å; S15-F17 PolarHBondContact OG-N 3.36Å; F17-K19 PolarHBondContact O-N 3.45Å; F17-K19 VanDerWaalsContact O-N 3.16Å; F17-T20 WeakPolarHBondContact O-CB 3.31Å; F17-T20 PolarHBondContact O-N 2.88Å; F17-G21 PolarHBondContact O-N 3Å
18Q95.5Very high96.4Very high102 Ų10282.1 Ų82.148%0.47739%0.391SS..Hα-helixtrans-57.6-33.2-176.3-64.2-178.1-9.300113.3L12 S15 R16 G21 K22L12-Q18 HydrophobicContact CD1-CB 4.25Å; S15-Q18 WeakPolarHBondContact O-CG 3.32Å; R16-Q18 PolarHBondContact O-N 3.16Å; R16-Q18 VanDerWaalsContact O-N 3.09Å; Q18-G21 PolarHBondContact O-N 3.29Å; Q18-K22 WeakPolarHBondContact O-CG 3.37Å; Q18-K22 PolarHBondContact O-N 2.9Å
19K95.6Very high96.4Very high178 Ų17889.6 Ų89.677%0.77442%0.419SS*.Hα-helixtrans-60.5-47.1174.7-68.4-174.5-179.6-179.30111.3F17 G21 K22 I23F17-K19 PolarHBondContact O-N 3.45Å; F17-K19 VanDerWaalsContact O-N 3.16Å; K19-G21 VanDerWaalsContact C-N 3.33Å; K19-G21 PolarHBondContact O-N 2.85Å; K19-K22 PolarHBondContact O-N 3.23Å; K19-I23 WeakPolarHBondContact O-CG1 3.24Å; K19-I23 PolarHBondContact O-N 3.06Å
20T96.1Very high96.4Very high55 Ų5591.3 Ų91.334%0.33743%0.428SS..Hα-helixtrans-62.6-41.3174.9-500000111.1L11 F17 K22 I23 F24L11-T20 HydrophobicContact CD1-CG2 3.93Å; F17-T20 WeakPolarHBondContact O-CB 3.31Å; F17-T20 PolarHBondContact O-N 2.88Å; T20-K22 PolarHBondContact O-N 2.84Å; T20-I23 WeakPolarHBondContact O-CB 3.46Å; T20-I23 PolarHBondContact O-N 3.01Å; T20-F24 HydrophobicContact CG2-CD1 4.31Å; T20-F24 HydrophobicContact CG2-CE1 3.93Å; T20-F24 HydrophobicContact CG2-CE2 4.42Å; T20-F24 HydrophobicContact CG2-CZ 3.99Å; T20-F24 PolarHBondContact O-N 3.49Å
21G97Very high96.4Very high0 Ų090.3 Ų90.30%042%0.42CS..Hα-helixtrans-56.4-48.2174.400000112.9G8 F17 Q18 K19 I23 F24 I25G8-G21 VanDerWaalsContact O-CA 3.28Å; G8-G21 WeakPolarHBondContact O-CA 3.44Å; F17-G21 PolarHBondContact O-N 3Å; Q18-G21 PolarHBondContact O-N 3.29Å; K19-G21 VanDerWaalsContact C-N 3.33Å; K19-G21 PolarHBondContact O-N 2.85Å; G21-I23 VanDerWaalsContact C-N 3.35Å; G21-I23 PolarHBondContact O-N 3.42Å; G21-F24 PolarHBondContact O-N 2.79Å; G21-I25 VanDerWaalsContact O-CG1 3.31Å; G21-I25 WeakPolarHBondContact O-CG1 3.33Å; G21-I25 PolarHBondContact O-N 3.31Å
22K97.4Very high96.4Very high126 Ų12690.3 Ų90.355%0.54842%0.42SS..Hα-helixtrans-59-44174.8-69.9177.7-174.9-176.50112L12 Q18 K19 T20 F24 I25 S26L12-K22 HydrophobicContact CD1-CG 3.97Å; Q18-K22 WeakPolarHBondContact O-CG 3.37Å; Q18-K22 PolarHBondContact O-N 2.9Å; K19-K22 PolarHBondContact O-N 3.23Å; T20-K22 PolarHBondContact O-N 2.84Å; K22-F24 PolarHBondContact O-N 3.33Å; K22-I25 PolarHBondContact O-N 3.47Å; K22-S26 WeakPolarHBondContact O-CB 3.4Å; K22-S26 PolarHBondContact O-N 2.86Å; K22-S26 PolarHBondContact O-OG 3.38Å; K22-S26 VanDerWaalsContact O-OG 3.06Å
23I97.3Very high96.5Very high91 Ų9191.9 Ų91.947%0.46743%0.428SS..Hα-helixtrans-59.7-47.8177.5-68.5166.3000110.8K19 T20 G21 I25 S26 I27K19-I23 WeakPolarHBondContact O-CG1 3.24Å; K19-I23 PolarHBondContact O-N 3.06Å; T20-I23 WeakPolarHBondContact O-CB 3.46Å; T20-I23 PolarHBondContact O-N 3.01Å; G21-I23 VanDerWaalsContact C-N 3.35Å; G21-I23 PolarHBondContact O-N 3.42Å; I23-I25 PolarHBondContact O-N 3.49Å; I23-S26 PolarHBondContact O-N 3Å; I23-I27 HydrophobicContact CG2-CD1 3.56Å; I23-I27 HydrophobicContact CG2-CG1 4.25Å; I23-I27 WeakPolarHBondContact O-CB 3.36Å; I23-I27 WeakPolarHBondContact O-CG1 3.45Å; I23-I27 PolarHBondContact O-N 3.32Å
24F97.5Very high96.5Very high80 Ų8086.8 Ų86.835%0.35141%0.414SS..Hα-helixtrans-62.9-42.8179.8-77.29.4000112.2I4 A7 L11 T20 G21 K22 G28I4-F24 HydrophobicContact CG2-CB 4.08Å; I4-F24 HydrophobicContact CG2-CG 4.34Å; A7-F24 HydrophobicContact CB-CD2 4.28Å; L11-F24 HydrophobicContact CD1-CD2 3.98Å; L11-F24 HydrophobicContact CD1-CE2 3.98Å; T20-F24 HydrophobicContact CG2-CD1 4.31Å; T20-F24 HydrophobicContact CG2-CE1 3.93Å; T20-F24 HydrophobicContact CG2-CE2 4.42Å; T20-F24 HydrophobicContact CG2-CZ 3.99Å; T20-F24 PolarHBondContact O-N 3.49Å; G21-F24 PolarHBondContact O-N 2.79Å; K22-F24 PolarHBondContact O-N 3.33Å; F24-G28 PolarHBondContact O-N 2.9Å
25I97.6Very high96.6Very high29 Ų2981 Ų8115%0.14939%0.39CS..Hα-helixtrans-61.6-50.4175.1-66.8167.4000110L9 L12 G21 K22 I23 G28 W29L9-I25 HydrophobicContact CD2-CD1 3.76Å; L9-I25 HydrophobicContact CD2-CG1 4.48Å; L9-I25 HydrophobicContact CG-CD1 4.09Å; L9-I25 HydrophobicContact CG-CG1 4.37Å; L12-I25 HydrophobicContact CB-CD1 4.39Å; L12-I25 HydrophobicContact CD2-CD1 3.89Å; G21-I25 VanDerWaalsContact O-CG1 3.31Å; G21-I25 WeakPolarHBondContact O-CG1 3.33Å; G21-I25 PolarHBondContact O-N 3.31Å; K22-I25 PolarHBondContact O-N 3.47Å; I23-I25 PolarHBondContact O-N 3.49Å; I25-G28 PolarHBondContact O-N 2.99Å; I25-W29 WeakPolarHBondContact O-CB 3.44Å; I25-W29 VanDerWaalsContact O-CD1 3.32Å; I25-W29 PolarHBondContact O-N 2.89Å
26S97.8Very high96.8Very high78 Ų7879.9 Ų79.955%0.54538%0.382SS..Hα-helixtrans-62.2-46-178.3-66.20000112.5K22 I23 L30K22-S26 WeakPolarHBondContact O-CB 3.4Å; K22-S26 PolarHBondContact O-N 2.86Å; K22-S26 PolarHBondContact O-OG 3.38Å; K22-S26 VanDerWaalsContact O-OG 3.06Å; I23-S26 PolarHBondContact O-N 3Å; S26-L30 VanDerWaalsContact O-CB 3.23Å; S26-L30 WeakPolarHBondContact O-CB 3.23Å; S26-L30 PolarHBondContact O-N 2.87Å
27I97.3Very high97Very high97 Ų9771.2 Ų71.250%0.49735%0.352SS..Hα-helixtrans-65.1-44176.9-68.7175000110.4I23 W29 L30 A31I23-I27 HydrophobicContact CG2-CD1 3.56Å; I23-I27 HydrophobicContact CG2-CG1 4.25Å; I23-I27 WeakPolarHBondContact O-CB 3.36Å; I23-I27 WeakPolarHBondContact O-CG1 3.45Å; I23-I27 PolarHBondContact O-N 3.32Å; I27-W29 PolarHBondContact O-N 2.85Å; I27-L30 PolarHBondContact O-N 3.38Å; I27-A31 VanDerWaalsContact O-CB 3.24Å; I27-A31 WeakPolarHBondContact O-CB 3.29Å; I27-A31 PolarHBondContact O-N 3.49Å
28G97.2Very high97.1Very high0 Ų067.1 Ų67.10%033%0.334CS..Hα-helixtrans-61.7-43.9179.400000112.7F24 I25 L32F24-G28 PolarHBondContact O-N 2.9Å; I25-G28 PolarHBondContact O-N 2.99Å; G28-L32 VanDerWaalsContact O-CB 3.29Å; G28-L32 WeakPolarHBondContact O-CB 3.49Å; G28-L32 PolarHBondContact O-N 3.27Å
29W96.9Very high97.2Very high158 Ų15865 Ų6560%0.59833%0.329SS*.Hα-helixtrans-67.7-44.1174.9-88.4103.5000112.6I25 I27 L32 L33I25-W29 WeakPolarHBondContact O-CB 3.44Å; I25-W29 VanDerWaalsContact O-CD1 3.32Å; I25-W29 PolarHBondContact O-N 2.89Å; I27-W29 PolarHBondContact O-N 2.85Å; W29-L32 PolarHBondContact O-N 3.34Å; W29-L33 VanDerWaalsContact O-CB 3.25Å; W29-L33 WeakPolarHBondContact O-CB 3.31Å; W29-L33 PolarHBondContact O-N 3.06Å
30L97.3Very high97.2Very high99 Ų9958.6 Ų58.652%0.51831%0.305SS..Hα-helixtrans-62.8-44.6178.4-179.461.7000111.2S26 I27 L33 L34S26-L30 VanDerWaalsContact O-CB 3.23Å; S26-L30 WeakPolarHBondContact O-CB 3.23Å; S26-L30 PolarHBondContact O-N 2.87Å; I27-L30 PolarHBondContact O-N 3.38Å; L30-L33 PolarHBondContact O-N 3.28Å; L30-L34 HydrophobicContact CD1-CD1 4.14Å; L30-L34 HydrophobicContact CD1-CG 4.14Å; L30-L34 HydrophobicContact CG-CD1 4.07Å; L30-L34 HydrophobicContact CG-CG 4.44Å; L30-L34 WeakPolarHBondContact O-CB 3.33Å; L30-L34 VanDerWaalsContact O-CG 3.26Å; L30-L34 WeakPolarHBondContact O-CG 3.49Å; L30-L34 PolarHBondContact O-N 3.25Å
31A97.2Very high97.3Very high26 Ų2656 Ų5622%0.21529%0.289CS..Hα-helixtrans-63.5-45.1176.200000111.5M1 I27 L33 L34 L35M1-A31 HydrophobicContact CG-CB 4.48Å; M1-A31 HydrophobicContact SD-CB 3.59Å; M1-A31 VanDerWaalsContact SD-CB 3.59Å; I27-A31 VanDerWaalsContact O-CB 3.24Å; I27-A31 WeakPolarHBondContact O-CB 3.29Å; I27-A31 PolarHBondContact O-N 3.49Å; A31-L33 VanDerWaalsContact C-N 3.34Å; A31-L33 PolarHBondContact O-N 2.9Å; A31-L34 PolarHBondContact O-N 3.36Å; A31-L35 VanDerWaalsContact O-CB 3.31Å; A31-L35 WeakPolarHBondContact O-CB 3.35Å; A31-L35 VanDerWaalsContact O-CG 3.22Å; A31-L35 WeakPolarHBondContact O-CG 3.26Å; A31-L35 PolarHBondContact O-N 2.99Å
32L97.2Very high97.3Very high39 Ų3956 Ų5620%0.20429%0.289CS..Hα-helixtrans-60.7-44.2176.1-175.264.9000111.5G28 W29 S36 L213G28-L32 VanDerWaalsContact O-CB 3.29Å; G28-L32 WeakPolarHBondContact O-CB 3.49Å; G28-L32 PolarHBondContact O-N 3.27Å; W29-L32 PolarHBondContact O-N 3.34Å; L32-S36 WeakPolarHBondContact O-CB 3.44Å; L32-S36 PolarHBondContact O-N 2.89Å; L32-S36 PolarHBondContact O-OG 3.38Å; L32-L213 HydrophobicContact CD1-CD1 4.13Å; L32-L213 HydrophobicContact CD1-CD2 3.85Å
33L97.3Very high97.3Very high79 Ų7959.5 Ų59.541%0.41430%0.299SS..Hα-helixtrans-58.4-55.4176.3175.865.7000110.6W29 L30 A31 L35 S36 L37 P208W29-L33 VanDerWaalsContact O-CB 3.25Å; W29-L33 WeakPolarHBondContact O-CB 3.31Å; W29-L33 PolarHBondContact O-N 3.06Å; L30-L33 PolarHBondContact O-N 3.28Å; A31-L33 VanDerWaalsContact C-N 3.34Å; A31-L33 PolarHBondContact O-N 2.9Å; L33-L35 PolarHBondContact O-N 2.91Å; L33-S36 CarbonylContact O-C 3.58Å; L33-S36 PolarHBondContact O-N 3.42Å; L33-S36 VanDerWaalsContact O-N 3.12Å; L33-L37 WeakPolarHBondContact O-CG 3.21Å; L33-L37 PolarHBondContact O-N 2.82Å; L33-P208 HydrophobicContact CD1-CB 4.23Å; L33-P208 HydrophobicContact CD1-CG 3.32Å
34L97.6Very high97.3Very high73 Ų7359.1 Ų59.138%0.38230%0.297SS..Hα-helixtrans-60.8-47.4-177.7-71178000112L30 A31 S36 L37 V40L30-L34 HydrophobicContact CD1-CD1 4.14Å; L30-L34 HydrophobicContact CD1-CG 4.14Å; L30-L34 HydrophobicContact CG-CD1 4.07Å; L30-L34 HydrophobicContact CG-CG 4.44Å; L30-L34 WeakPolarHBondContact O-CB 3.33Å; L30-L34 VanDerWaalsContact O-CG 3.26Å; L30-L34 WeakPolarHBondContact O-CG 3.49Å; L30-L34 PolarHBondContact O-N 3.25Å; A31-L34 PolarHBondContact O-N 3.36Å; L34-S36 PolarHBondContact O-N 2.64Å; L34-L37 HydrophobicContact CD2-CD1 4.46Å; L34-L37 PolarHBondContact O-N 3.36Å; L34-V40 HydrophobicContact CD2-CG2 4.46Å; L34-V40 WeakPolarHBondContact O-CB 3.43Å
35L97.6Very high97.3Very high51 Ų5155.3 Ų55.327%0.26728%0.28SS..Hα-helixtrans-68.3-16.2178.9-65.3176.1000113.3A31 L33 L44 W212 L213 S216A31-L35 VanDerWaalsContact O-CB 3.31Å; A31-L35 WeakPolarHBondContact O-CB 3.35Å; A31-L35 VanDerWaalsContact O-CG 3.22Å; A31-L35 WeakPolarHBondContact O-CG 3.26Å; A31-L35 PolarHBondContact O-N 2.99Å; L33-L35 PolarHBondContact O-N 2.91Å; L35-L44 HydrophobicContact CD2-CD1 3.9Å; L35-W212 CarbonylContact O-C 3.56Å; L35-L213 HydrophobicContact CB-CD1 3.99Å; L35-L213 WeakPolarHBondContact O-CA 3.48Å; L35-S216 PolarHBondContact O-OG 2.68Å
36S97.8Very high97.3Very high11 Ų1158.7 Ų58.78%0.07729%0.291CS..THydrogen-bonded Turntrans-93.33.9174-54.70000112.9L32 L33 L34 P208 S209 W212L32-S36 WeakPolarHBondContact O-CB 3.44Å; L32-S36 PolarHBondContact O-N 2.89Å; L32-S36 PolarHBondContact O-OG 3.38Å; L33-S36 CarbonylContact O-C 3.58Å; L33-S36 PolarHBondContact O-N 3.42Å; L33-S36 VanDerWaalsContact O-N 3.12Å; L34-S36 PolarHBondContact O-N 2.64Å; S36-P208 CarbonylContact O-C 3.49Å; S36-P208 WeakPolarHBondContact O-CA 3.4Å; S36-S209 PolarHBondContact O-N 3.47Å; S36-W212 WeakPolarHBondContact O-CB 3.35Å
37L97.7Very high97.2Very high30 Ų3059 Ų5916%0.15729%0.291CS..SBendtrans-100130.6174.9-68.9172.2000110.7L33 L34 P39 V40 A41 A206 P208L33-L37 WeakPolarHBondContact O-CG 3.21Å; L33-L37 PolarHBondContact O-N 2.82Å; L34-L37 HydrophobicContact CD2-CD1 4.46Å; L34-L37 PolarHBondContact O-N 3.36Å; L37-P39 HydrophobicContact CB-CG 4.44Å; L37-V40 HydrophobicContact CB-CG2 4.49Å; L37-V40 PolarHBondContact O-N 2.92Å; L37-V40 VanDerWaalsContact O-N 3.09Å; L37-A41 PolarHBondContact O-N 3.07Å; L37-A206 WeakPolarHBondContact CD2-O 3.31Å; L37-P208 HydrophobicContact CD2-CG 4.04Å
38Q97.1Very high97.2Very high7 Ų755.8 Ų55.83%0.03328%0.275CS..Hα-helixtrans-46.3-51.6178.8-170.7-89.4-26.900114.5V40 A41 D42 I196 L200 R205 W212Q38-V40 PolarHBondContact O-N 2.83Å; Q38-V40 VanDerWaalsContact O-N 3.16Å; Q38-A41 PolarHBondContact O-N 3.36Å; Q38-D42 PolarHBondContact NE2-OD2 3.38Å; Q38-D42 WeakPolarHBondContact O-CB 3.25Å; Q38-D42 PolarHBondContact O-N 3.45Å; Q38-I196 PolarHBondContact NE2-O 3.39Å; Q38-L200 HydrophobicContact CG-CD1 4Å; Q38-R205 HydrophobicContact CB-CB 4.41Å; Q38-W212 HydrophobicContact CB-CD2 3.67Å; Q38-W212 HydrophobicContact CB-CE3 4.12Å; Q38-W212 HydrophobicContact CB-CG 4Å; Q38-W212 HydrophobicContact CB-CH2 4.46Å; Q38-W212 HydrophobicContact CB-CZ2 4.02Å; Q38-W212 HydrophobicContact CB-CZ3 4.48Å; Q38-W212 HydrophobicContact CG-CD2 4Å; Q38-W212 HydrophobicContact CG-CE3 3.93Å; Q38-W212 HydrophobicContact CG-CH2 3.94Å; Q38-W212 HydrophobicContact CG-CZ2 3.97Å; Q38-W212 HydrophobicContact CG-CZ3 3.9Å; Q38-W212 VanDerWaalsContact N-CD1 3.34Å
39P96.2Very high97.2Very high57 Ų5756.4 Ų56.437%0.3728%0.278SS..Hα-helixtrans-65-24.1-175.325-36.5000113.6L37 R43 R205L37-P39 HydrophobicContact CB-CG 4.44Å; P39-R43 WeakPolarHBondContact O-CB 3.46Å; P39-R205 VanDerWaalsContact CD-O 3.25Å; P39-R205 WeakPolarHBondContact CD-O 3.4Å
40V97.3Very high97.1Very high44 Ų4452.8 Ų52.827%0.26728%0.277SS..Hα-helixtrans-83.3-52.4175.6178.30000109.2L34 L37 Q38 D42 R43 L44L34-V40 HydrophobicContact CD2-CG2 4.46Å; L34-V40 WeakPolarHBondContact O-CB 3.43Å; L37-V40 HydrophobicContact CB-CG2 4.49Å; L37-V40 PolarHBondContact O-N 2.92Å; L37-V40 VanDerWaalsContact O-N 3.09Å; Q38-V40 PolarHBondContact O-N 2.83Å; Q38-V40 VanDerWaalsContact O-N 3.16Å; V40-D42 PolarHBondContact O-N 2.9Å; V40-R43 PolarHBondContact O-N 3.18Å; V40-L44 HydrophobicContact CG1-CD1 4.13Å; V40-L44 WeakPolarHBondContact O-CG 3.44Å; V40-L44 PolarHBondContact O-N 3.49Å; V40-L44 VanDerWaalsContact O-N 3.1Å
41A97.5Very high97.1Very high0 Ų051.2 Ų51.20%027%0.271CS..Hα-helixtrans-58.6-49.2-176.400000112.2L37 Q38 R43 L44 L45 W212 H215 S216L37-A41 PolarHBondContact O-N 3.07Å; Q38-A41 PolarHBondContact O-N 3.36Å; A41-R43 PolarHBondContact O-N 3.28Å; A41-L44 PolarHBondContact O-N 3.46Å; A41-L45 WeakPolarHBondContact O-CB 3.39Å; A41-L45 PolarHBondContact O-N 3.32Å; A41-W212 HydrophobicContact CB-CB 4Å; A41-W212 WeakPolarHBondContact CB-O 3.32Å; A41-H215 HydrophobicContact CB-CB 4.02Å; A41-S216 WeakPolarHBondContact CA-OG 3.28Å; A41-S216 WeakPolarHBondContact CB-OG 3.4Å
42D97.1Very high97.1Very high1 Ų152.5 Ų52.51%0.00527%0.271CS..Hα-helixtrans-73.9-30.7-177.2-70.41.5000111.9Q38 V40 L44 L45 R46 A195 I196 H215Q38-D42 PolarHBondContact NE2-OD2 3.38Å; Q38-D42 WeakPolarHBondContact O-CB 3.25Å; Q38-D42 PolarHBondContact O-N 3.45Å; V40-D42 PolarHBondContact O-N 2.9Å; D42-L44 VanDerWaalsContact C-N 3.27Å; D42-L44 PolarHBondContact O-N 2.91Å; D42-L45 PolarHBondContact O-N 2.99Å; D42-R46 WeakPolarHBondContact O-CB 3.22Å; D42-R46 PolarHBondContact O-N 3.44Å; D42-A195 HydrophobicContact CB-CB 4.19Å; D42-I196 PolarHBondContact OD2-N 2.92Å; D42-H215 IonicContact OD1-CE1 3.73Å; D42-H215 IonicContact OD1-CG 3.26Å; D42-H215 IonicContact OD1-ND1 3.65Å; D42-H215 PolarHBondContact OD1-ND1 3.36Å
43R96.9Very high97Very high200 Ų20055.8 Ų55.876%0.75529%0.294SS*.Hα-helixtrans-64.9-33.7173.3-178.1175.3-176.7169.12.2112.1P39 V40 A41 P47P39-R43 WeakPolarHBondContact O-CB 3.46Å; V40-R43 PolarHBondContact O-N 3.18Å; A41-R43 PolarHBondContact O-N 3.28Å; R43-P47 WeakPolarHBondContact O-CD 3.25Å
44L97.3Very high96.9Very high83 Ų8355.4 Ų55.444%0.43530%0.295SS..Hα-helixtrans-74.6-36.5175-67.1171.7000111.7L35 V40 A41 D42 V219L35-L44 HydrophobicContact CD2-CD1 3.9Å; V40-L44 HydrophobicContact CG1-CD1 4.13Å; V40-L44 WeakPolarHBondContact O-CG 3.44Å; V40-L44 PolarHBondContact O-N 3.49Å; V40-L44 VanDerWaalsContact O-N 3.1Å; A41-L44 PolarHBondContact O-N 3.46Å; D42-L44 VanDerWaalsContact C-N 3.27Å; D42-L44 PolarHBondContact O-N 2.91Å; L44-V219 HydrophobicContact CB-CG1 4.37Å; L44-V219 HydrophobicContact CB-CG2 3.95Å
45L97.8Very high96.8Very high0 Ų053 Ų530%028%0.281CS..Hα-helixtrans-83.1-39.7-174.6-174.157.6000114.2A41 D42 P47 I48 E49 L194 H215 R218 V219A41-L45 WeakPolarHBondContact O-CB 3.39Å; A41-L45 PolarHBondContact O-N 3.32Å; D42-L45 PolarHBondContact O-N 2.99Å; L45-P47 VanDerWaalsContact C-CD 3.41Å; L45-I48 WeakPolarHBondContact O-CB 3.44Å; L45-I48 PolarHBondContact O-N 2.7Å; L45-E49 HydrophobicContact CD1-CG 4.1Å; L45-E49 HydrophobicContact CG-CG 3.95Å; L45-E49 PolarHBondContact O-N 3.5Å; L45-L194 HydrophobicContact CD2-CB 3.65Å; L45-L194 HydrophobicContact CD2-CD1 4.18Å; L45-H215 HydrophobicContact CD2-CB 3.81Å; L45-R218 HydrophobicContact CD1-CB 4.3Å; L45-R218 HydrophobicContact CD1-CG 3.89Å; L45-V219 VanDerWaalsContact CA-CG2 3.46Å; L45-V219 HydrophobicContact CB-CG2 3.66Å; L45-V219 HydrophobicContact CD1-CG2 3.71Å; L45-V219 HydrophobicContact CG-CG2 4.27Å
46R96.6Very high96.6Very high99 Ų9957.1 Ų57.137%0.37430%0.304SS..Hα-helixtrans-49.5-44.8-174.7-175.4-176.8-66.2153.61.2113.9D42 I48 E49 S50 A195 D197D42-R46 WeakPolarHBondContact O-CB 3.22Å; D42-R46 PolarHBondContact O-N 3.44Å; R46-I48 PolarHBondContact O-N 3.37Å; R46-E49 PolarHBondContact O-N 2.93Å; R46-S50 WeakPolarHBondContact O-CB 3.2Å; R46-S50 PolarHBondContact O-N 3.28Å; R46-S50 PolarHBondContact O-OG 3.48Å; R46-S50 VanDerWaalsContact O-OG 3.05Å; R46-A195 HydrophobicContact CB-CB 4.1Å; R46-D197 IonicContact CZ-OD1 3.52Å; R46-D197 IonicContact CZ-OD2 2.81Å; R46-D197 VanDerWaalsContact NE-CG 3.28Å; R46-D197 IonicContact NE-OD1 3.57Å; R46-D197 PolarHBondContact NE-OD1 3.37Å; R46-D197 IonicContact NE-OD2 3.21Å; R46-D197 PolarHBondContact NE-OD2 3.04Å; R46-D197 VanDerWaalsContact NE-OD2 3.13Å; R46-D197 VanDerWaalsContact NH2-CG 3.28Å; R46-D197 IonicContact NH2-OD1 2.68Å; R46-D197 PolarHBondContact NH2-OD1 3.41Å; R46-D197 IonicContact NH2-OD2 3.46Å
47P96.5Very high96.1Very high84 Ų8460.7 Ų60.755%0.54532%0.322SS..Hα-helixtrans-60-28.9-179.6-24.635.3000114.2R43 L45R43-P47 WeakPolarHBondContact O-CD 3.25Å; L45-P47 VanDerWaalsContact C-CD 3.41Å
48I96.9Very high95.4Very high30 Ų3064.4 Ų64.415%0.15435%0.35CS..Hα-helixtrans-76.2-50.7176.4-53.1178.1000109L45 R46 S50 T51 S170 P173 V219 E222L45-I48 WeakPolarHBondContact O-CB 3.44Å; L45-I48 PolarHBondContact O-N 2.7Å; R46-I48 PolarHBondContact O-N 3.37Å; I48-S50 VanDerWaalsContact C-N 3.33Å; I48-S50 PolarHBondContact O-N 3.45Å; I48-T51 WeakPolarHBondContact O-CB 3.5Å; I48-T51 PolarHBondContact O-N 2.92Å; I48-T51 PolarHBondContact O-OG1 3.5Å; I48-S170 VanDerWaalsContact CG2-O 3.23Å; I48-S170 WeakPolarHBondContact CG2-O 3.31Å; I48-P173 HydrophobicContact CG2-CG 4.28Å; I48-V219 HydrophobicContact CD1-CG1 4.24Å; I48-E222 HydrophobicContact CD1-CB 4.42Å
49E97.2Very high95.2Very high14 Ų1468.1 Ų68.17%0.06537%0.368CS..Hα-helixtrans-68.3-28.3-175.4-61.4-160.1139.200113.7L45 R46 T51 A169 S170 L194 A195L45-E49 HydrophobicContact CD1-CG 4.1Å; L45-E49 HydrophobicContact CG-CG 3.95Å; L45-E49 PolarHBondContact O-N 3.5Å; R46-E49 PolarHBondContact O-N 2.93Å; E49-T51 PolarHBondContact O-N 2.97Å; E49-A169 HydrophobicContact CB-CB 3.8Å; E49-A169 HydrophobicContact CG-CB 3.96Å; E49-S170 PolarHBondContact OE1-OG 3.33Å; E49-L194 PolarHBondContact OE1-N 2.94Å; E49-L194 PolarHBondContact OE2-N 3.41Å; E49-A195 WeakPolarHBondContact OE2-CB 3.34Å; E49-A195 PolarHBondContact OE2-N 2.94Å
50S96Very high95Very high82 Ų8271.6 Ų71.657%0.57338%0.377SS*.THydrogen-bonded Turntrans-80.53.8178.867.80000114.3R46 I48 Y52R46-S50 WeakPolarHBondContact O-CB 3.2Å; R46-S50 PolarHBondContact O-N 3.28Å; R46-S50 PolarHBondContact O-OG 3.48Å; R46-S50 VanDerWaalsContact O-OG 3.05Å; I48-S50 VanDerWaalsContact C-N 3.33Å; I48-S50 PolarHBondContact O-N 3.45Å; S50-Y52 VanDerWaalsContact C-N 3.28Å; S50-Y52 PolarHBondContact O-N 3.49Å
51T97.1Very high95Very high65 Ų6569.8 Ų69.840%0.39937%0.366SS..THydrogen-bonded Turntrans-62-37.7179.7-56.90000111.8I48 E49 P173I48-T51 WeakPolarHBondContact O-CB 3.5Å; I48-T51 PolarHBondContact O-N 2.92Å; I48-T51 PolarHBondContact O-OG1 3.5Å; E49-T51 PolarHBondContact O-N 2.97Å; T51-P173 HydrophobicContact CG2-CB 4.19Å; T51-P173 HydrophobicContact CG2-CG 3.96Å; T51-P173 WeakPolarHBondContact OG1-CG 3.21Å
52Y97.3Very high94.9Very high53 Ų5374.4 Ų74.421%0.20839%0.39CS..SBendtrans-123.2130.6176.3-60.4-70.8000109.5S50 L172 P173 M176 P188S50-Y52 VanDerWaalsContact C-N 3.28Å; S50-Y52 PolarHBondContact O-N 3.49Å; Y52-L172 HydrophobicContact CD2-CB 4.22Å; Y52-L172 HydrophobicContact CD2-CD2 3.61Å; Y52-L172 HydrophobicContact CD2-CG 3.61Å; Y52-L172 HydrophobicContact CE2-CD2 4.39Å; Y52-L172 HydrophobicContact CE2-CG 3.94Å; Y52-L172 HydrophobicContact CG-CD2 4.04Å; Y52-L172 HydrophobicContact CG-CG 4.46Å; Y52-P173 HydrophobicContact CD2-CG 4.39Å; Y52-P173 HydrophobicContact CE2-CB 4.41Å; Y52-P173 HydrophobicContact CE2-CG 4.24Å; Y52-M176 HydrophobicContact CE2-CB 4.37Å; Y52-M176 HydrophobicContact CE2-CG 3.68Å; Y52-M176 WeakPolarHBondContact OH-CB 3.26Å; Y52-M176 WeakPolarHBondContact OH-CG 3.33Å; Y52-P188 HydrophobicContact CD1-CB 3.57Å; Y52-P188 HydrophobicContact CD1-CG 3.4Å; Y52-P188 HydrophobicContact CD2-CB 4.09Å; Y52-P188 HydrophobicContact CE1-CB 3.97Å; Y52-P188 HydrophobicContact CE1-CG 3.79Å; Y52-P188 HydrophobicContact CE2-CB 4.42Å; Y52-P188 HydrophobicContact CG-CB 3.63Å; Y52-P188 HydrophobicContact CG-CG 3.97Å
53P95.3Very high95Very high108 Ų10877 Ų7770%0.70140%0.401SS*.  trans-69.6157.217630.7-35000110.8W55 P190P53-W55 PolarHBondContact O-N 3.34Å; P53-P190 WeakPolarHBondContact O-CD 3.37Å; P53-P190 VanDerWaalsContact O-CG 3.26Å; P53-P190 WeakPolarHBondContact O-CG 3.49Å
54T95.1Very high95.1Very high71 Ų7167.5 Ų67.544%0.43637%0.365SS..  trans-52.9132.6170.9-57.90000110.8N56T54-N56 PolarHBondContact O-N 3.09Å; T54-N56 VanDerWaalsContact O-N 3.12Å
55W95.7Very high95.2Very high24 Ų2463.6 Ų63.69%0.09134%0.344CS..  trans-70.5108.1178.6-178.5-85.3000110.8P53 N57 Q59 R96 L97 L164 L187 A189P53-W55 PolarHBondContact O-N 3.34Å; W55-N57 HydrophobicContact CD2-CB 4.41Å; W55-N57 HydrophobicContact CH2-CB 3.93Å; W55-N57 HydrophobicContact CZ2-CB 3.68Å; W55-N57 HydrophobicContact CZ3-CB 4.41Å; W55-N57 PolarHBondContact NE1-O 2.85Å; W55-Q59 HydrophobicContact CH2-CB 4.33Å; W55-Q59 HydrophobicContact CZ2-CB 4.18Å; W55-R96 PolarHBondContact O-NH2 3.4Å; W55-L97 VanDerWaalsContact CD1-CD2 3.42Å; W55-L97 HydrophobicContact CG-CD2 4.23Å; W55-L164 HydrophobicContact CD2-CD2 3.44Å; W55-L164 VanDerWaalsContact CD2-CD2 3.44Å; W55-L164 VanDerWaalsContact CE2-CD2 3.45Å; W55-L164 HydrophobicContact CE3-CD2 3.62Å; W55-L164 HydrophobicContact CG-CD2 4.07Å; W55-L164 HydrophobicContact CH2-CD2 3.88Å; W55-L164 HydrophobicContact CZ2-CD2 3.67Å; W55-L164 HydrophobicContact CZ3-CD2 3.85Å; W55-L187 HydrophobicContact CE3-CB 4.45Å; W55-L187 HydrophobicContact CH2-CB 3.99Å; W55-L187 HydrophobicContact CH2-CD1 3.65Å; W55-L187 HydrophobicContact CH2-CD2 4.37Å; W55-L187 HydrophobicContact CH2-CG 4.21Å; W55-L187 HydrophobicContact CZ2-CD1 4.38Å; W55-L187 HydrophobicContact CZ3-CB 3.71Å; W55-L187 HydrophobicContact CZ3-CD1 4.24Å; W55-L187 HydrophobicContact CZ3-CD2 4.34Å; W55-L187 HydrophobicContact CZ3-CG 4.31Å; W55-A189 HydrophobicContact CB-CB 4.18Å
56N91.4Very high95.2Very high137 Ų13763.9 Ų63.973%0.73335%0.346SS*.  trans-125.815.1176.2-67.9-38.7000112.4T54T54-N56 PolarHBondContact O-N 3.09Å; T54-N56 VanDerWaalsContact O-N 3.12Å
57N88Confident95.3Very high86 Ų8659.2 Ų59.246%0.4633%0.329SS..  trans-82.3151.3-178.7-170.11.7000110.8W55 Q59W55-N57 HydrophobicContact CD2-CB 4.41Å; W55-N57 HydrophobicContact CH2-CB 3.93Å; W55-N57 HydrophobicContact CZ2-CB 3.68Å; W55-N57 HydrophobicContact CZ3-CB 4.41Å; W55-N57 PolarHBondContact NE1-O 2.85Å; N57-Q59 PolarHBondContact OD1-N 3.23Å
58S84.2Confident95.1Very high108 Ų10856.5 Ų56.576%0.75532%0.315SS*.  trans-89.3-0.7177.759.50000114K60S58-K60 PolarHBondContact O-N 3.28Å
59Q91.2Very high94.9Very high84 Ų8456.2 Ų56.239%0.39332%0.32SS..  trans-55.9122.6176.3178.1176.8-10.900110.5W55 N57 L187W55-Q59 HydrophobicContact CH2-CB 4.33Å; W55-Q59 HydrophobicContact CZ2-CB 4.18Å; N57-Q59 PolarHBondContact OD1-N 3.23Å; Q59-L187 HydrophobicContact CG-CD1 4.41Å
60K92.8Very high94.7Very high131 Ų13156.8 Ų56.857%0.5733%0.33SS*.  trans-76.4143175.4-62-63.3179.61790110.9S58 E100 N101S58-K60 PolarHBondContact O-N 3.28Å; K60-E100 PolarHBondContact NZ-O 2.74Å; K60-N101 WeakPolarHBondContact CA-OD1 3.35Å
61V96.5Very high94.7Very high6 Ų654.3 Ų54.34%0.03631%0.308CS..  trans-130.1152.3172.7-66.50000110.2Y63 I64 N101 S104 L164 L187V61-Y63 WeakPolarHBondContact CG2-O 3.31Å; V61-I64 HydrophobicContact CG2-CG1 4.05Å; V61-N101 PolarHBondContact N-OD1 2.87Å; V61-S104 VanDerWaalsContact O-CB 3.29Å; V61-S104 WeakPolarHBondContact O-CB 3.46Å; V61-L164 HydrophobicContact CG1-CG 4.2Å; V61-L164 HydrophobicContact CG2-CB 4.44Å; V61-L164 HydrophobicContact CG2-CD1 3.69Å; V61-L164 HydrophobicContact CG2-CG 3.79Å; V61-L187 HydrophobicContact CG1-CD1 3.58Å
62D97.1Very high94.6Very high96 Ų9653.5 Ų53.551%0.51330%0.303SS..SBendtrans-82.4-23.5177.3-61.5-42.4000111.9S104 K105D62-S104 CarbonylContact O-C 3.57Å; D62-S104 WeakPolarHBondContact O-CA 3.42Å; D62-S104 WeakPolarHBondContact O-CB 3.5Å; D62-K105 PolarHBondContact O-N 3.06Å
63Y98.6Very high94.5Very high57 Ų5753.4 Ų53.422%0.22430%0.303CS..EExtended strand (participates in β ladder)trans-136146.4-175.7-55.6-79.2000112.8V61 K105 I107 I139 I158 A161 F163 L164V61-Y63 WeakPolarHBondContact CG2-O 3.31Å; Y63-K105 WeakPolarHBondContact CA-O 2.96Å; Y63-K105 HydrophobicContact CD1-CB 4.04Å; Y63-K105 HydrophobicContact CE1-CB 4.31Å; Y63-K105 HydrophobicContact CE1-CD 4.4Å; Y63-I107 HydrophobicContact CD1-CD1 3.72Å; Y63-I107 HydrophobicContact CD1-CG1 4.22Å; Y63-I107 HydrophobicContact CG-CD1 4.11Å; Y63-I139 HydrophobicContact CD1-CD1 4.46Å; Y63-I139 HydrophobicContact CE1-CD1 4.13Å; Y63-I158 HydrophobicContact CD1-CG2 3.81Å; Y63-I158 HydrophobicContact CD2-CB 3.95Å; Y63-I158 HydrophobicContact CD2-CD1 4.09Å; Y63-I158 HydrophobicContact CD2-CG2 3.83Å; Y63-I158 HydrophobicContact CE1-CG2 3.8Å; Y63-I158 HydrophobicContact CE2-CB 3.88Å; Y63-I158 HydrophobicContact CE2-CG2 3.85Å; Y63-I158 HydrophobicContact CG-CB 4.41Å; Y63-I158 HydrophobicContact CG-CD1 4.3Å; Y63-I158 HydrophobicContact CG-CG2 3.81Å; Y63-A161 HydrophobicContact CD2-CB 3.87Å; Y63-A161 HydrophobicContact CE2-CB 3.68Å; Y63-F163 WeakPolarHBondContact O-CA 3.18Å; Y63-F163 VanDerWaalsContact O-CB 3.27Å; Y63-F163 WeakPolarHBondContact O-CB 3.46Å; Y63-L164 PolarHBondContact O-N 2.94Å
64I98.7Very high94.5Very high0 Ų050.5 Ų50.50%028%0.281CS..EExtended strand (participates in β ladder)trans-128.4107173.2-60168.8000107.3V61 V66 L97 W98 N101 K105 L106 I107 L164 V166V61-I64 HydrophobicContact CG2-CG1 4.05Å; I64-V66 HydrophobicContact CG2-CG2 4.32Å; I64-L97 HydrophobicContact CD1-CB 3.85Å; I64-W98 HydrophobicContact CD1-CB 3.86Å; I64-N101 HydrophobicContact CD1-CB 4.37Å; I64-K105 PolarHBondContact N-O 3.23Å; I64-L106 HydrophobicContact CB-CD2 3.86Å; I64-L106 HydrophobicContact CG2-CD2 3.77Å; I64-L106 WeakPolarHBondContact O-CA 3.49Å; I64-I107 PolarHBondContact O-N 3.22Å; I64-L164 HydrophobicContact CG1-CB 4.28Å; I64-L164 HydrophobicContact CG1-CD1 4.21Å; I64-L164 HydrophobicContact CG2-CB 4.36Å; I64-V166 HydrophobicContact CG2-CG2 3.69Å
65V98.8Very high94.5Very high0 Ų051.1 Ų51.10%029%0.287CS..EExtended strand (participates in β ladder)trans-91.4119.9-178.9176.80000109.1L67 I107 T109 V154 F163 L164 L165 V166 F179V65-L67 HydrophobicContact CG1-CD2 4.04Å; V65-I107 CarbonylContact C-O 3.6Å; V65-I107 WeakPolarHBondContact CA-O 3.45Å; V65-I107 HydrophobicContact CG2-CB 4.02Å; V65-I107 HydrophobicContact CG2-CD1 4.06Å; V65-I107 HydrophobicContact CG2-CG1 4.34Å; V65-T109 HydrophobicContact CG1-CG2 4.08Å; V65-V154 HydrophobicContact CG1-CG2 3.85Å; V65-V154 HydrophobicContact CG2-CG1 3.95Å; V65-V154 HydrophobicContact CG2-CG2 4.15Å; V65-F163 HydrophobicContact CB-CD2 3.78Å; V65-F163 HydrophobicContact CB-CE2 3.93Å; V65-F163 HydrophobicContact CG2-CD2 3.33Å; V65-F163 HydrophobicContact CG2-CE2 3.64Å; V65-F163 HydrophobicContact CG2-CG 4.15Å; V65-L164 PolarHBondContact N-O 3.09Å; V65-L165 HydrophobicContact CB-CD1 4.19Å; V65-L165 HydrophobicContact CG1-CD1 3.91Å; V65-V166 PolarHBondContact O-N 3.24Å; V65-F179 HydrophobicContact CG1-CZ 4.42Å
66V98.6Very high94.5Very high6 Ų658 Ų584%0.03632%0.319CS..EExtended strand (participates in β ladder)trans-110.7112.6179.3-173.50000109.6I64 R90 L106 I107 F108 V166I64-V66 HydrophobicContact CG2-CG2 4.32Å; V66-R90 HydrophobicContact CG1-CB 4.01Å; V66-L106 HydrophobicContact CG2-CD2 3.99Å; V66-I107 PolarHBondContact N-O 2.97Å; V66-F108 HydrophobicContact CB-CD1 3.79Å; V66-F108 HydrophobicContact CB-CE1 3.79Å; V66-F108 HydrophobicContact CG1-CD1 4.21Å; V66-F108 HydrophobicContact CG1-CE1 4.04Å; V66-F108 HydrophobicContact CG2-CD1 4.41Å; V66-F108 HydrophobicContact CG2-CE1 4.01Å; V66-V166 WeakPolarHBondContact CA-O 3.23Å; V66-V166 HydrophobicContact CG1-CG1 4.47Å; V66-V166 HydrophobicContact CG2-CB 4.14Å
67L97.7Very high94.8Very high2 Ų257.9 Ų57.91%0.0131%0.309CS..  trans-80.1137.7-179-58.1-173.2000112.7V65 R90 T109 T147 E150 L165 V166 T167 A175 F179V65-L67 HydrophobicContact CG1-CD2 4.04Å; L67-R90 VanDerWaalsContact O-CD 3.3Å; L67-R90 WeakPolarHBondContact O-CD 3.48Å; L67-R90 PolarHBondContact O-NH1 3.08Å; L67-R90 VanDerWaalsContact O-NH1 3.1Å; L67-T109 HydrophobicContact CD2-CG2 4.41Å; L67-T109 WeakPolarHBondContact CD2-OG1 3.34Å; L67-T147 HydrophobicContact CD1-CG2 4.09Å; L67-E150 HydrophobicContact CD2-CB 4.41Å; L67-L165 HydrophobicContact CD1-CD1 4.02Å; L67-L165 HydrophobicContact CD2-CD1 3.98Å; L67-L165 HydrophobicContact CG-CD1 3.82Å; L67-V166 PolarHBondContact N-O 2.89Å; L67-T167 HydrophobicContact CD1-CG2 4.39Å; L67-A175 HydrophobicContact CD1-CB 3.79Å; L67-F179 HydrophobicContact CD1-CE2 4.08Å; L67-F179 HydrophobicContact CD2-CE2 4.08Å; L67-F179 HydrophobicContact CD2-CZ 3.92Å
68G93.8Very high95.2Very high26 Ų2656.5 Ų56.527%0.26831%0.309SS..  trans-59.8147173.300000113.4R90G68-R90 PolarHBondContact O-NH1 2.99Å
69G92.4Very high95.8Very high24 Ų2454 Ų5425%0.24729%0.29CS..  trans-13614.7-179.500000114.5S87G69-S87 VanDerWaalsContact CA-OG 3.24Å; G69-S87 WeakPolarHBondContact CA-OG 3.48Å; G69-S87 PolarHBondContact N-OG 2.92Å
70G93Very high96.1Very high27 Ų2752 Ų5228%0.27829%0.286SS..  trans119141.4-174.300000112.2I84 S87G70-I84 WeakPolarHBondContact O-CG1 3.39Å; G70-I84 PolarHBondContact O-N 3.47Å; G70-S87 PolarHBondContact N-OG 2.85Å; G70-S87 VanDerWaalsContact N-OG 3.13Å; G70-S87 WeakPolarHBondContact O-CB 3.44Å; G70-S87 PolarHBondContact O-OG 3.41Å
71Y95.6Very high96.3Very high29 Ų2948.8 Ų48.811%0.11428%0.28CS..BIsolated β-bridgetrans-153.2169179.681.8-70.9000111.7N82 A113 N116 V118 T120 V123Y71-N82 CarbonylContact C-O 3.53Å; Y71-N82 VanDerWaalsContact CA-O 3.28Å; Y71-N82 WeakPolarHBondContact CA-O 3.33Å; Y71-N82 WeakPolarHBondContact CB-O 3.36Å; Y71-A113 HydrophobicContact CE1-CB 3.98Å; Y71-A113 WeakPolarHBondContact OH-CB 3.08Å; Y71-A113 PolarHBondContact OH-N 3.22Å; Y71-N116 HydrophobicContact CE2-CB 4.17Å; Y71-N116 VanDerWaalsContact CE2-ND2 3.31Å; Y71-N116 WeakPolarHBondContact CE2-ND2 3.05Å; Y71-N116 VanDerWaalsContact CZ-ND2 3.34Å; Y71-N116 WeakPolarHBondContact OH-CB 3.48Å; Y71-N116 PolarHBondContact OH-ND2 2.79Å; Y71-V118 WeakPolarHBondContact CE2-O 3.4Å; Y71-V118 PolarHBondContact OH-O 3.36Å; Y71-T120 HydrophobicContact CD1-CG2 4.03Å; Y71-T120 WeakPolarHBondContact CD1-OG1 3.43Å; Y71-T120 WeakPolarHBondContact CE1-OG1 3.22Å; Y71-T120 HydrophobicContact CG-CG2 4.3Å; Y71-V123 HydrophobicContact CD2-CB 4.32Å; Y71-V123 HydrophobicContact CD2-CG2 3.76Å; Y71-V123 HydrophobicContact CE2-CG2 4.08Å
72T95Very high96.4Very high48 Ų4848.6 Ų48.629%0.29428%0.279SS..  trans-134.3174.3165.1-172.50000108.8W77 N82 I84T72-W77 HydrophobicContact CG2-CE3 4.46Å; T72-W77 HydrophobicContact CG2-CZ3 3.97Å; T72-N82 PolarHBondContact N-O 3.3Å; T72-N82 WeakPolarHBondContact O-CB 3.1Å; T72-N82 PolarHBondContact O-OD1 3.46Å; T72-I84 HydrophobicContact CG2-CG2 4.41Å
73W95.7Very high96.4Very high52 Ų5244.7 Ų44.720%0.19726%0.258CS..  trans-136.8115.8173.7-176.7-112.7000112.4P75 N82 V118 V123 R126W73-P75 HydrophobicContact CZ2-CB 3.91Å; W73-N82 VanDerWaalsContact CA-OD1 3.29Å; W73-N82 WeakPolarHBondContact CA-OD1 3.39Å; W73-N82 HydrophobicContact CE3-CB 4.49Å; W73-V118 HydrophobicContact CD2-CB 3.96Å; W73-V118 HydrophobicContact CD2-CG2 3.68Å; W73-V118 VanDerWaalsContact CE2-CG2 3.42Å; W73-V118 HydrophobicContact CE3-CB 4.29Å; W73-V118 HydrophobicContact CE3-CG1 4.46Å; W73-V118 HydrophobicContact CE3-CG2 4.3Å; W73-V118 HydrophobicContact CG-CB 4.15Å; W73-V118 HydrophobicContact CG-CG2 3.98Å; W73-V118 HydrophobicContact CH2-CG2 4.5Å; W73-V118 HydrophobicContact CZ2-CG2 3.88Å; W73-V123 HydrophobicContact CE3-CG2 3.63Å; W73-V123 HydrophobicContact CZ3-CG2 4.12Å; W73-R126 VanDerWaalsContact CZ2-NH1 3.28Å
74N95.7Very high96.1Very high46 Ų4645.9 Ų45.925%0.24627%0.267CS..  trans-140111.9167.2-172.4-25.3000108.9Q76 W77 N82N74-Q76 PolarHBondContact O-N 3.12Å; N74-Q76 WeakPolarHBondContact OD1-CB 3.35Å; N74-Q76 PolarHBondContact OD1-N 2.87Å; N74-W77 HydrophobicContact CB-CB 4.31Å; N74-W77 HydrophobicContact CB-CD2 3.65Å; N74-W77 HydrophobicContact CB-CE3 3.93Å; N74-W77 HydrophobicContact CB-CG 3.82Å; N74-W77 VanDerWaalsContact ND2-CE2 3.32Å; N74-W77 PolarHBondContact ND2-NE1 3.33Å; N74-W77 VanDerWaalsContact ND2-NE1 3.17Å; N74-W77 PolarHBondContact O-N 3.49Å; N74-N82 PolarHBondContact N-OD1 2.82Å; N74-N82 PolarHBondContact O-ND2 2.8Å
75P94.7Very high95.5Very high85 Ų8550.2 Ų50.255%0.55229%0.29SS*.THydrogen-bonded Turntrans-69-12.7-17829-35.5000113.8W73W73-P75 HydrophobicContact CZ2-CB 3.91Å
76Q96.3Very high95.3Very high167 Ų16750.3 Ų50.378%0.7829%0.291SS*.THydrogen-bonded Turntrans-89.5-6.7177.7-56.6-57.2-42.600112.9N74N74-Q76 PolarHBondContact O-N 3.12Å; N74-Q76 WeakPolarHBondContact OD1-CB 3.35Å; N74-Q76 PolarHBondContact OD1-N 2.87Å
77W96.8Very high95.2Very high136 Ų13650.3 Ų50.352%0.51529%0.291SS..SBendtrans-90.9158.9177.5-69.8-3000111.2T72 N74T72-W77 HydrophobicContact CG2-CE3 4.46Å; T72-W77 HydrophobicContact CG2-CZ3 3.97Å; N74-W77 HydrophobicContact CB-CB 4.31Å; N74-W77 HydrophobicContact CB-CD2 3.65Å; N74-W77 HydrophobicContact CB-CE3 3.93Å; N74-W77 HydrophobicContact CB-CG 3.82Å; N74-W77 VanDerWaalsContact ND2-CE2 3.32Å; N74-W77 PolarHBondContact ND2-NE1 3.33Å; N74-W77 VanDerWaalsContact ND2-NE1 3.17Å; N74-W77 PolarHBondContact O-N 3.49Å
78A97Very high95.1Very high56 Ų5652.8 Ų52.846%0.46330%0.304SS..  trans-51.5136.1165.100000109S80 S81A78-S80 VanDerWaalsContact C-N 3.25Å; A78-S80 PolarHBondContact O-N 2.87Å; A78-S80 VanDerWaalsContact O-N 3.13Å; A78-S81 WeakPolarHBondContact O-CB 3.47Å; A78-S81 PolarHBondContact O-N 3.43Å
79P97Very high95.3Very high55 Ų5553.8 Ų53.836%0.35731%0.306SS..G310 helixtrans-50.1-45.6-174.3-31.636.4000113.1S81 N82 V127P79-S81 VanDerWaalsContact C-N 3.27Å; P79-S81 PolarHBondContact O-N 3.36Å; P79-N82 VanDerWaalsContact O-CB 3.31Å; P79-N82 WeakPolarHBondContact O-CB 3.5Å; P79-N82 PolarHBondContact O-N 2.68Å; P79-N82 VanDerWaalsContact O-N 3.09Å; P79-N82 PolarHBondContact O-ND2 3.1Å; P79-V127 VanDerWaalsContact C-CG2 3.42Å; P79-V127 HydrophobicContact CB-CG2 4.03Å; P79-V127 WeakPolarHBondContact O-CG2 3.35Å
80S97.1Very high95.6Very high44 Ų4452.9 Ų52.931%0.30830%0.295SS..G310 helixtrans-63.1-26.9-178.153.80000114.2A78 N82 L83A78-S80 VanDerWaalsContact C-N 3.25Å; A78-S80 PolarHBondContact O-N 2.87Å; A78-S80 VanDerWaalsContact O-N 3.13Å; S80-N82 PolarHBondContact O-N 2.68Å; S80-N82 VanDerWaalsContact O-N 3.12Å; S80-L83 PolarHBondContact O-N 3.42Å
81S97.1Very high95.8Very high63 Ų6351.7 Ų51.744%0.44128%0.282SS..G310 helixtrans-67-9.9176-58.30000113.2A78 P79A78-S81 WeakPolarHBondContact O-CB 3.47Å; A78-S81 PolarHBondContact O-N 3.43Å; P79-S81 VanDerWaalsContact C-N 3.27Å; P79-S81 PolarHBondContact O-N 3.36Å
82N97.3Very high95.9Very high2 Ų254.1 Ų54.11%0.01130%0.297CS..G310 helixtrans-85.2-9.9173.5-69.6-69.2000113.3Y71 T72 W73 N74 P79 S80 V123Y71-N82 CarbonylContact C-O 3.53Å; Y71-N82 VanDerWaalsContact CA-O 3.28Å; Y71-N82 WeakPolarHBondContact CA-O 3.33Å; Y71-N82 WeakPolarHBondContact CB-O 3.36Å; T72-N82 PolarHBondContact N-O 3.3Å; T72-N82 WeakPolarHBondContact O-CB 3.1Å; T72-N82 PolarHBondContact O-OD1 3.46Å; W73-N82 VanDerWaalsContact CA-OD1 3.29Å; W73-N82 WeakPolarHBondContact CA-OD1 3.39Å; W73-N82 HydrophobicContact CE3-CB 4.49Å; N74-N82 PolarHBondContact N-OD1 2.82Å; N74-N82 PolarHBondContact O-ND2 2.8Å; P79-N82 VanDerWaalsContact O-CB 3.31Å; P79-N82 WeakPolarHBondContact O-CB 3.5Å; P79-N82 PolarHBondContact O-N 2.68Å; P79-N82 VanDerWaalsContact O-N 3.09Å; P79-N82 PolarHBondContact O-ND2 3.1Å; S80-N82 PolarHBondContact O-N 2.68Å; S80-N82 VanDerWaalsContact O-N 3.12Å; N82-V123 HydrophobicContact CB-CG1 3.61Å
83L96.8Very high96.1Very high14 Ų1453.1 Ų53.17%0.07329%0.289CS..BIsolated β-bridgetrans-102.2119.3174.5-65.6-177.8000109.8S80 L88 L91 V123 V127S80-L83 PolarHBondContact O-N 3.42Å; L83-L88 HydrophobicContact CB-CB 4.17Å; L83-L88 HydrophobicContact CD1-CD1 4.48Å; L83-L91 HydrophobicContact CD1-CB 4.22Å; L83-L91 HydrophobicContact CD1-CD1 3.6Å; L83-L91 HydrophobicContact CD1-CG 4.44Å; L83-V123 HydrophobicContact CD2-CB 4.36Å; L83-V123 HydrophobicContact CD2-CG1 3.63Å; L83-V123 HydrophobicContact CG-CG1 4.14Å; L83-V127 HydrophobicContact CD1-CB 3.98Å; L83-V127 HydrophobicContact CD1-CG1 4.09Å; L83-V127 HydrophobicContact CD1-CG2 3.76Å; L83-V127 HydrophobicContact CG-CG2 3.97Å
84I92.8Very high96.2Very high81 Ų8150.7 Ų50.742%0.41528%0.28SS..  trans-105155.6-173.861.9172.2000111.9G70 T72 N86 S87G70-I84 WeakPolarHBondContact O-CG1 3.39Å; G70-I84 PolarHBondContact O-N 3.47Å; T72-I84 HydrophobicContact CG2-CG2 4.41Å; I84-N86 PolarHBondContact O-N 3.1Å; I84-S87 PolarHBondContact O-N 3.29Å; I84-S87 VanDerWaalsContact O-N 3.09Å
85N86.9Confident96.4Very high91 Ų9148.8 Ų48.849%0.48727%0.27SS..THydrogen-bonded Turntrans57.1-97168.7-161.412.5000112.4
86N93.6Very high96.5Very high2 Ų248.5 Ų48.51%0.01126%0.258CS..THydrogen-bonded Turntrans-95.4-18.1-174.7-60.9-24.1000114.2I84 L88 P89 R90 S168 N192 R218I84-N86 PolarHBondContact O-N 3.1Å; N86-L88 PolarHBondContact O-N 3.25Å; N86-P89 WeakPolarHBondContact O-CD 3.48Å; N86-R90 WeakPolarHBondContact O-CD 3.47Å; N86-R90 WeakPolarHBondContact O-CG 3.4Å; N86-R90 PolarHBondContact O-N 3.23Å; N86-S168 WeakPolarHBondContact CB-OG 3.4Å; N86-N192 PolarHBondContact OD1-ND2 3.24Å; N86-R218 PolarHBondContact ND2-NH1 3.35Å; N86-R218 PolarHBondContact ND2-NH2 3.2Å
87S96.5Very high96.6Very high7 Ų740.5 Ų40.55%0.04922%0.22CC..Hα-helixtrans-67.3-38.2-170.1-64.60000112.6G69 G70 I84 R90 L91G69-S87 VanDerWaalsContact CA-OG 3.24Å; G69-S87 WeakPolarHBondContact CA-OG 3.48Å; G69-S87 PolarHBondContact N-OG 2.92Å; G70-S87 PolarHBondContact N-OG 2.85Å; G70-S87 VanDerWaalsContact N-OG 3.13Å; G70-S87 WeakPolarHBondContact O-CB 3.44Å; G70-S87 PolarHBondContact O-OG 3.41Å; I84-S87 PolarHBondContact O-N 3.29Å; I84-S87 VanDerWaalsContact O-N 3.09Å; S87-R90 PolarHBondContact O-N 3.13Å; S87-L91 WeakPolarHBondContact O-CB 3.31Å; S87-L91 PolarHBondContact O-N 3.34Å
88L96.9Very high96.6Very high53 Ų5336 Ų3628%0.27720%0.203SC..Hα-helixtrans-69.1-46.3-177.9-176.865.7000112.4L83 N86 R90 L91 N92 V127L83-L88 HydrophobicContact CB-CB 4.17Å; L83-L88 HydrophobicContact CD1-CD1 4.48Å; N86-L88 PolarHBondContact O-N 3.25Å; L88-R90 VanDerWaalsContact C-N 3.3Å; L88-R90 PolarHBondContact O-N 2.91Å; L88-L91 HydrophobicContact CD1-CD2 4.43Å; L88-L91 PolarHBondContact O-N 3.17Å; L88-N92 WeakPolarHBondContact O-CB 3.25Å; L88-N92 PolarHBondContact O-N 3.4Å; L88-V127 HydrophobicContact CD1-CG1 4.35Å
89P97.3Very high96.6Very high47 Ų4740.8 Ų40.831%0.30521%0.209SC..Hα-helixtrans-59.8-36.2172.2-29.538.5000114N86 N92 E93 N192N86-P89 WeakPolarHBondContact O-CD 3.48Å; P89-N92 PolarHBondContact O-N 3.14Å; P89-E93 PolarHBondContact O-N 3.21Å; P89-N192 HydrophobicContact CB-CB 3.85Å; P89-N192 WeakPolarHBondContact CB-OD1 3.34Å; P89-N192 WeakPolarHBondContact CG-OD1 3.22Å
90R98.2Very high96.6Very high6 Ų642.4 Ų42.42%0.02321%0.212CC..Hα-helixtrans-64.9-44.7174.1-67169.5-170.5-166.93.2112.1V66 L67 G68 N86 S87 L88 E93 G94 V166 T167 S168 A191V66-R90 HydrophobicContact CG1-CB 4.01Å; L67-R90 VanDerWaalsContact O-CD 3.3Å; L67-R90 WeakPolarHBondContact O-CD 3.48Å; L67-R90 PolarHBondContact O-NH1 3.08Å; L67-R90 VanDerWaalsContact O-NH1 3.1Å; G68-R90 PolarHBondContact O-NH1 2.99Å; N86-R90 WeakPolarHBondContact O-CD 3.47Å; N86-R90 WeakPolarHBondContact O-CG 3.4Å; N86-R90 PolarHBondContact O-N 3.23Å; S87-R90 PolarHBondContact O-N 3.13Å; L88-R90 VanDerWaalsContact C-N 3.3Å; L88-R90 PolarHBondContact O-N 2.91Å; R90-E93 PolarHBondContact O-N 3.1Å; R90-G94 PolarHBondContact O-N 2.86Å; R90-V166 WeakPolarHBondContact O-CG1 3.46Å; R90-T167 PolarHBondContact NE-OG1 3.05Å; R90-T167 PolarHBondContact NH1-OG1 2.99Å; R90-S168 VanDerWaalsContact NE-N 3.13Å; R90-S168 PolarHBondContact NE-OG 3.11Å; R90-S168 PolarHBondContact NH2-OG 3.09Å; R90-A191 HydrophobicContact CB-CB 4.47Å; R90-A191 HydrophobicContact CG-CB 4.15Å
91L98.4Very high96.5Very high2 Ų240.6 Ų40.61%0.0120%0.199CC..Hα-helixtrans-62.5-44175.8176.1146000111.4L83 S87 L88 E93 G94 I95 F108 G124 V127 A128 L131L83-L91 HydrophobicContact CD1-CB 4.22Å; L83-L91 HydrophobicContact CD1-CD1 3.6Å; L83-L91 HydrophobicContact CD1-CG 4.44Å; S87-L91 WeakPolarHBondContact O-CB 3.31Å; S87-L91 PolarHBondContact O-N 3.34Å; L88-L91 HydrophobicContact CD1-CD2 4.43Å; L88-L91 PolarHBondContact O-N 3.17Å; L91-E93 VanDerWaalsContact C-N 3.31Å; L91-E93 PolarHBondContact O-N 3.28Å; L91-G94 PolarHBondContact O-N 3Å; L91-I95 HydrophobicContact CD2-CD1 3.43Å; L91-I95 VanDerWaalsContact CD2-CD1 3.43Å; L91-I95 HydrophobicContact CD2-CG1 4.26Å; L91-I95 HydrophobicContact CG-CD1 4.08Å; L91-I95 WeakPolarHBondContact O-CG1 3.45Å; L91-I95 PolarHBondContact O-N 3.33Å; L91-F108 HydrophobicContact CD1-CE1 3.96Å; L91-F108 HydrophobicContact CD1-CZ 4.06Å; L91-F108 HydrophobicContact CG-CE1 4.23Å; L91-F108 HydrophobicContact CG-CZ 4.36Å; L91-G124 VanDerWaalsContact CD1-O 3.23Å; L91-G124 WeakPolarHBondContact CD1-O 3.31Å; L91-V127 HydrophobicContact CD1-CB 3.67Å; L91-V127 HydrophobicContact CD1-CG1 3.72Å; L91-V127 HydrophobicContact CD2-CG1 3.75Å; L91-V127 HydrophobicContact CG-CG1 4.43Å; L91-A128 HydrophobicContact CD1-CB 4.39Å; L91-L131 HydrophobicContact CD2-CD1 3.82Å
92N98Very high96.4Very high80 Ų8042.7 Ų42.743%0.42821%0.211SC..Hα-helixtrans-59.4-44.6177.9-75.1-6.1000111.4L88 P89 I95 R96L88-N92 WeakPolarHBondContact O-CB 3.25Å; L88-N92 PolarHBondContact O-N 3.4Å; P89-N92 PolarHBondContact O-N 3.14Å; N92-I95 PolarHBondContact O-N 3.16Å; N92-R96 PolarHBondContact O-N 3.04Å
93E98.3Very high96.3Very high27 Ų2746 Ų4613%0.12625%0.246CC..Hα-helixtrans-64.9-42.1175.9179.860-177.400111.8P89 R90 L91 I95 R96 L97 V166 A191P89-E93 PolarHBondContact O-N 3.21Å; R90-E93 PolarHBondContact O-N 3.1Å; L91-E93 VanDerWaalsContact C-N 3.31Å; L91-E93 PolarHBondContact O-N 3.28Å; E93-I95 VanDerWaalsContact C-N 3.35Å; E93-I95 PolarHBondContact O-N 3.09Å; E93-R96 PolarHBondContact O-N 3.49Å; E93-R96 IonicContact OE1-CZ 3.55Å; E93-R96 IonicContact OE1-NE 2.83Å; E93-R96 IonicContact OE1-NH2 3.46Å; E93-R96 PolarHBondContact OE1-NH2 2.9Å; E93-R96 IonicContact OE2-CZ 2.73Å; E93-R96 IonicContact OE2-NE 2.68Å; E93-R96 PolarHBondContact OE2-NE 3.3Å; E93-R96 IonicContact OE2-NH2 3.06Å; E93-R96 PolarHBondContact OE2-NH2 3.26Å; E93-L97 HydrophobicContact CG-CD1 3.91Å; E93-L97 HydrophobicContact CG-CG 4.43Å; E93-L97 WeakPolarHBondContact O-CB 3.38Å; E93-L97 VanDerWaalsContact O-CG 3.29Å; E93-L97 WeakPolarHBondContact O-CG 3.48Å; E93-L97 PolarHBondContact O-N 3.45Å; E93-V166 HydrophobicContact CB-CG1 4.09Å; E93-V166 HydrophobicContact CG-CG1 4Å; E93-A191 HydrophobicContact CB-CB 3.67Å; E93-A191 HydrophobicContact CG-CB 3.9Å
94G98.4Very high96.4Very high0 Ų045.4 Ų45.40%024%0.242CC..Hα-helixtrans-56.4-46.2173.100000112.6R90 L91 L97 W98R90-G94 PolarHBondContact O-N 2.86Å; L91-G94 PolarHBondContact O-N 3Å; G94-L97 PolarHBondContact O-N 3.46Å; G94-W98 VanDerWaalsContact O-CB 3.32Å; G94-W98 WeakPolarHBondContact O-CB 3.42Å; G94-W98 PolarHBondContact O-N 3.16Å
95I98.4Very high96.6Very high7 Ų745.3 Ų45.34%0.03624%0.239CC..Hα-helixtrans-66-40177.8-67175.9000111.6L91 N92 E93 W98 R99 L106 A128 L131 V133L91-I95 HydrophobicContact CD2-CD1 3.43Å; L91-I95 VanDerWaalsContact CD2-CD1 3.43Å; L91-I95 HydrophobicContact CD2-CG1 4.26Å; L91-I95 HydrophobicContact CG-CD1 4.08Å; L91-I95 WeakPolarHBondContact O-CG1 3.45Å; L91-I95 PolarHBondContact O-N 3.33Å; N92-I95 PolarHBondContact O-N 3.16Å; E93-I95 VanDerWaalsContact C-N 3.35Å; E93-I95 PolarHBondContact O-N 3.09Å; I95-W98 PolarHBondContact O-N 3.13Å; I95-R99 WeakPolarHBondContact O-CG 3.47Å; I95-R99 PolarHBondContact O-N 3.22Å; I95-L106 HydrophobicContact CG1-CD1 4.25Å; I95-A128 HydrophobicContact CD1-CB 3.99Å; I95-A128 HydrophobicContact CG1-CB 4.4Å; I95-L131 HydrophobicContact CD1-CB 4.03Å; I95-L131 HydrophobicContact CD1-CD1 3.7Å; I95-V133 HydrophobicContact CD1-CG2 4.2Å; I95-V133 HydrophobicContact CG1-CG2 4Å; I95-V133 HydrophobicContact CG2-CG2 4.28Å
96R97.9Very high97.2Very high78 Ų7841 Ų4129%0.29422%0.216SC..Hα-helixtrans-59.3-51.2175.3-174-169.470.281.8-4.6110.4W55 N92 E93 W98 R99 E100W55-R96 PolarHBondContact O-NH2 3.4Å; N92-R96 PolarHBondContact O-N 3.04Å; E93-R96 PolarHBondContact O-N 3.49Å; E93-R96 IonicContact OE1-CZ 3.55Å; E93-R96 IonicContact OE1-NE 2.83Å; E93-R96 IonicContact OE1-NH2 3.46Å; E93-R96 PolarHBondContact OE1-NH2 2.9Å; E93-R96 IonicContact OE2-CZ 2.73Å; E93-R96 IonicContact OE2-NE 2.68Å; E93-R96 PolarHBondContact OE2-NE 3.3Å; E93-R96 IonicContact OE2-NH2 3.06Å; E93-R96 PolarHBondContact OE2-NH2 3.26Å; R96-W98 VanDerWaalsContact C-N 3.3Å; R96-W98 PolarHBondContact O-N 3.42Å; R96-R99 PolarHBondContact O-N 2.93Å; R96-E100 IonicContact CZ-OE1 2.61Å; R96-E100 IonicContact CZ-OE2 2.99Å; R96-E100 IonicContact NH1-OE1 2.77Å; R96-E100 PolarHBondContact NH1-OE1 3.06Å; R96-E100 IonicContact NH1-OE2 3.38Å; R96-E100 PolarHBondContact NH1-OE2 3.21Å; R96-E100 PolarHBondContact O-N 2.78Å; R96-E100 VanDerWaalsContact O-N 3.12Å
97L97.9Very high97.4Very high0 Ų040.9 Ų40.90%022%0.215CC..Hα-helixtrans-62.9-36.9178.8-67.8169.5000112W55 I64 E93 G94 E100 N101 L164 V166 A189W55-L97 VanDerWaalsContact CD1-CD2 3.42Å; W55-L97 HydrophobicContact CG-CD2 4.23Å; I64-L97 HydrophobicContact CD1-CB 3.85Å; E93-L97 HydrophobicContact CG-CD1 3.91Å; E93-L97 HydrophobicContact CG-CG 4.43Å; E93-L97 WeakPolarHBondContact O-CB 3.38Å; E93-L97 VanDerWaalsContact O-CG 3.29Å; E93-L97 WeakPolarHBondContact O-CG 3.48Å; E93-L97 PolarHBondContact O-N 3.45Å; G94-L97 PolarHBondContact O-N 3.46Å; L97-E100 CarbonylContact O-C 3.34Å; L97-E100 PolarHBondContact O-N 3.05Å; L97-N101 WeakPolarHBondContact O-CB 3.36Å; L97-N101 PolarHBondContact O-N 3.11Å; L97-N101 PolarHBondContact O-ND2 3.13Å; L97-L164 HydrophobicContact CB-CD1 4.29Å; L97-L164 HydrophobicContact CD1-CD1 4.24Å; L97-L164 HydrophobicContact CD2-CD1 4.26Å; L97-V166 HydrophobicContact CD1-CG2 3.65Å; L97-A189 HydrophobicContact CD1-CB 3.85Å
98W97.8Very high97.5Very high41 Ų4140.9 Ų40.916%0.15521%0.214CC..Hα-helixtrans-63.5-43.3176173.576.3000112.1I64 G94 I95 R96 E100 N101 S104 L106 V133 Q137I64-W98 HydrophobicContact CD1-CB 3.86Å; G94-W98 VanDerWaalsContact O-CB 3.32Å; G94-W98 WeakPolarHBondContact O-CB 3.42Å; G94-W98 PolarHBondContact O-N 3.16Å; I95-W98 PolarHBondContact O-N 3.13Å; R96-W98 VanDerWaalsContact C-N 3.3Å; R96-W98 PolarHBondContact O-N 3.42Å; W98-E100 PolarHBondContact O-N 2.92Å; W98-N101 CarbonylContact O-C 3.26Å; W98-N101 VanDerWaalsContact O-C 3.26Å; W98-N101 PolarHBondContact O-N 3.22Å; W98-S104 VanDerWaalsContact CD1-O 3.27Å; W98-S104 PolarHBondContact NE1-O 3.43Å; W98-L106 HydrophobicContact CB-CD1 3.73Å; W98-L106 HydrophobicContact CB-CD2 4.08Å; W98-L106 HydrophobicContact CB-CG 3.8Å; W98-L106 HydrophobicContact CD2-CD1 4.21Å; W98-L106 HydrophobicContact CG-CD1 3.72Å; W98-L106 HydrophobicContact CG-CG 3.86Å; W98-V133 HydrophobicContact CD2-CG1 4.42Å; W98-V133 HydrophobicContact CE3-CG2 3.98Å; W98-V133 HydrophobicContact CH2-CG1 4.34Å; W98-V133 HydrophobicContact CZ2-CG1 4.24Å; W98-V133 HydrophobicContact CZ3-CG1 4.48Å; W98-V133 HydrophobicContact CZ3-CG2 4.01Å; W98-Q137 HydrophobicContact CZ2-CB 4.18Å; W98-Q137 HydrophobicContact CZ2-CG 4.14Å
99R96.7Very high97.5Very high157 Ų15738.4 Ų38.459%0.59220%0.202SC*.Hα-helixtrans-62-33.7173.8-70174.7179.5165.90.9112I95 R96 N101 L131I95-R99 WeakPolarHBondContact O-CG 3.47Å; I95-R99 PolarHBondContact O-N 3.22Å; R96-R99 PolarHBondContact O-N 2.93Å; R99-N101 VanDerWaalsContact C-N 3.28Å; R99-L131 PolarHBondContact NH2-O 3.05Å
100E95.8Very high97.4Very high89 Ų8936.4 Ų36.442%0.41619%0.189SC..Hα-helixtrans-78.4-10175.6-71.4171.8-164.600113.5K60 R96 L97 W98 P102K60-E100 PolarHBondContact NZ-O 2.74Å; R96-E100 IonicContact CZ-OE1 2.61Å; R96-E100 IonicContact CZ-OE2 2.99Å; R96-E100 IonicContact NH1-OE1 2.77Å; R96-E100 PolarHBondContact NH1-OE1 3.06Å; R96-E100 IonicContact NH1-OE2 3.38Å; R96-E100 PolarHBondContact NH1-OE2 3.21Å; R96-E100 PolarHBondContact O-N 2.78Å; R96-E100 VanDerWaalsContact O-N 3.12Å; L97-E100 CarbonylContact O-C 3.34Å; L97-E100 PolarHBondContact O-N 3.05Å; W98-E100 PolarHBondContact O-N 2.92Å; E100-P102 VanDerWaalsContact C-CD 3.5Å; E100-P102 WeakPolarHBondContact O-CD 3.16Å
101N96.1Very high97.1Very high6 Ų636.6 Ų36.63%0.03219%0.193CC..SBendtrans-12371.5177.8-72-84.5000111.3K60 V61 I64 L97 W98 R99 G103 S104K60-N101 WeakPolarHBondContact CA-OD1 3.35Å; V61-N101 PolarHBondContact N-OD1 2.87Å; I64-N101 HydrophobicContact CD1-CB 4.37Å; L97-N101 WeakPolarHBondContact O-CB 3.36Å; L97-N101 PolarHBondContact O-N 3.11Å; L97-N101 PolarHBondContact O-ND2 3.13Å; W98-N101 CarbonylContact O-C 3.26Å; W98-N101 VanDerWaalsContact O-C 3.26Å; W98-N101 PolarHBondContact O-N 3.22Å; R99-N101 VanDerWaalsContact C-N 3.28Å; N101-G103 PolarHBondContact O-N 3.14Å; N101-S104 WeakPolarHBondContact CB-OG 3.12Å; N101-S104 VanDerWaalsContact O-CB 3.26Å; N101-S104 WeakPolarHBondContact O-CB 3.21Å; N101-S104 PolarHBondContact O-N 2.93Å; N101-S104 PolarHBondContact O-OG 3.1Å
102P94.9Very high96.7Very high107 Ų10740.3 Ų40.370%0.69522%0.216SC*.THydrogen-bonded Turntrans-55.5130177.5-24.134.1000111.7E100E100-P102 VanDerWaalsContact C-CD 3.5Å; E100-P102 WeakPolarHBondContact O-CD 3.16Å
103G95.3Very high96.3Very high71 Ų7138.5 Ų38.573%0.73221%0.212SC*.THydrogen-bonded Turntrans94.5-13.8-176.200000114.6N101N101-G103 PolarHBondContact O-N 3.14Å
104S97.6Very high95.6Very high1 Ų147.3 Ų47.31%0.00725%0.25CS..  trans-73.2156.8175.369.60000112.7V61 D62 W98 N101 Q137V61-S104 VanDerWaalsContact O-CB 3.29Å; V61-S104 WeakPolarHBondContact O-CB 3.46Å; D62-S104 CarbonylContact O-C 3.57Å; D62-S104 WeakPolarHBondContact O-CA 3.42Å; D62-S104 WeakPolarHBondContact O-CB 3.5Å; W98-S104 VanDerWaalsContact CD1-O 3.27Å; W98-S104 PolarHBondContact NE1-O 3.43Å; N101-S104 WeakPolarHBondContact CB-OG 3.12Å; N101-S104 VanDerWaalsContact O-CB 3.26Å; N101-S104 WeakPolarHBondContact O-CB 3.21Å; N101-S104 PolarHBondContact O-N 2.93Å; N101-S104 PolarHBondContact O-OG 3.1Å; S104-Q137 PolarHBondContact O-OE1 3.48Å
105K98.6Very high95Very high79 Ų7953.6 Ų53.634%0.34329%0.289SS..EExtended strand (participates in β ladder)trans-106.2142.8170.8-68.8-175.4176.6-179.90111.7D62 Y63 I64 Q137 I139D62-K105 PolarHBondContact O-N 3.06Å; Y63-K105 WeakPolarHBondContact CA-O 2.96Å; Y63-K105 HydrophobicContact CD1-CB 4.04Å; Y63-K105 HydrophobicContact CE1-CB 4.31Å; Y63-K105 HydrophobicContact CE1-CD 4.4Å; I64-K105 PolarHBondContact N-O 3.23Å; K105-Q137 CarbonylContact C-O 3.49Å; K105-Q137 WeakPolarHBondContact CA-O 3.49Å; K105-I139 HydrophobicContact CB-CD1 4.34Å; K105-I139 HydrophobicContact CD-CD1 3.8Å; K105-I139 HydrophobicContact CD-CG1 4.16Å
106L98.7Very high94.6Very high0 Ų055 Ų550%030%0.296CS..EExtended strand (participates in β ladder)trans-85.3131.1168.1-80.5164.6000109.8I64 V66 I95 W98 F108 V133 Q137 I138 I139I64-L106 HydrophobicContact CB-CD2 3.86Å; I64-L106 HydrophobicContact CG2-CD2 3.77Å; I64-L106 WeakPolarHBondContact O-CA 3.49Å; V66-L106 HydrophobicContact CG2-CD2 3.99Å; I95-L106 HydrophobicContact CG1-CD1 4.25Å; W98-L106 HydrophobicContact CB-CD1 3.73Å; W98-L106 HydrophobicContact CB-CD2 4.08Å; W98-L106 HydrophobicContact CB-CG 3.8Å; W98-L106 HydrophobicContact CD2-CD1 4.21Å; W98-L106 HydrophobicContact CG-CD1 3.72Å; W98-L106 HydrophobicContact CG-CG 3.86Å; L106-F108 HydrophobicContact CB-CE2 4.2Å; L106-V133 HydrophobicContact CD1-CG1 3.95Å; L106-V133 HydrophobicContact CD1-CG2 4.07Å; L106-Q137 PolarHBondContact N-O 3.24Å; L106-I138 CarbonylContact O-C 3.55Å; L106-I138 WeakPolarHBondContact O-CA 3.32Å; L106-I139 PolarHBondContact O-N 3.16Å
107I98.7Very high94.2Very high0 Ų057 Ų570%032%0.317CS..EExtended strand (participates in β ladder)trans-114118.7174.3-49.5-171.1000107.9Y63 I64 V65 V66 T109 I139 L141 I158Y63-I107 HydrophobicContact CD1-CD1 3.72Å; Y63-I107 HydrophobicContact CD1-CG1 4.22Å; Y63-I107 HydrophobicContact CG-CD1 4.11Å; I64-I107 PolarHBondContact O-N 3.22Å; V65-I107 CarbonylContact C-O 3.6Å; V65-I107 WeakPolarHBondContact CA-O 3.45Å; V65-I107 HydrophobicContact CG2-CB 4.02Å; V65-I107 HydrophobicContact CG2-CD1 4.06Å; V65-I107 HydrophobicContact CG2-CG1 4.34Å; V66-I107 PolarHBondContact N-O 2.97Å; I107-T109 HydrophobicContact CG2-CG2 4.39Å; I107-I139 WeakPolarHBondContact CA-O 3.47Å; I107-I139 HydrophobicContact CB-CB 4.49Å; I107-I139 HydrophobicContact CD1-CD1 4.25Å; I107-I139 HydrophobicContact CG1-CB 4.12Å; I107-I139 HydrophobicContact CG1-CD1 4.21Å; I107-I139 HydrophobicContact CG2-CB 4.33Å; I107-I139 HydrophobicContact CG2-CG2 4.29Å; I107-L141 HydrophobicContact CG2-CD1 3.74Å; I107-L141 HydrophobicContact CG2-CG 3.88Å; I107-I158 HydrophobicContact CD1-CG2 3.51Å
108F98.6Very high94.1Very high7 Ų757.7 Ų57.73%0.03132%0.321CS..EExtended strand (participates in β ladder)trans-101.8136.5170.4-63.8-74.4000109.7V66 L91 L106 A121 A125 A128 I138 I139 L141V66-F108 HydrophobicContact CB-CD1 3.79Å; V66-F108 HydrophobicContact CB-CE1 3.79Å; V66-F108 HydrophobicContact CG1-CD1 4.21Å; V66-F108 HydrophobicContact CG1-CE1 4.04Å; V66-F108 HydrophobicContact CG2-CD1 4.41Å; V66-F108 HydrophobicContact CG2-CE1 4.01Å; L91-F108 HydrophobicContact CD1-CE1 3.96Å; L91-F108 HydrophobicContact CD1-CZ 4.06Å; L91-F108 HydrophobicContact CG-CE1 4.23Å; L91-F108 HydrophobicContact CG-CZ 4.36Å; L106-F108 HydrophobicContact CB-CE2 4.2Å; F108-A121 HydrophobicContact CB-CB 4.21Å; F108-A121 WeakPolarHBondContact CB-O 3.29Å; F108-A121 WeakPolarHBondContact O-CB 3.21Å; F108-A125 HydrophobicContact CD2-CB 4.13Å; F108-A128 HydrophobicContact CE2-CB 3.8Å; F108-A128 HydrophobicContact CZ-CB 3.76Å; F108-I138 HydrophobicContact CD2-CG2 3.6Å; F108-I138 HydrophobicContact CE2-CG2 3.85Å; F108-I139 PolarHBondContact N-O 3.38Å; F108-L141 PolarHBondContact O-N 3.3Å
109T96.9Very high94Very high1 Ų155.9 Ų55.91%0.00632%0.315CS..EExtended strand (participates in β ladder)trans-117155.8-179.166.20000111.7V65 L67 I107 L141 E150 V154V65-T109 HydrophobicContact CG1-CG2 4.08Å; L67-T109 HydrophobicContact CD2-CG2 4.41Å; L67-T109 WeakPolarHBondContact CD2-OG1 3.34Å; I107-T109 HydrophobicContact CG2-CG2 4.39Å; T109-L141 CarbonylContact C-O 3.53Å; T109-L141 WeakPolarHBondContact CA-O 3.42Å; T109-L141 HydrophobicContact CG2-CB 4.29Å; T109-L141 HydrophobicContact CG2-CD1 4.15Å; T109-E150 WeakPolarHBondContact CB-OE1 3.3Å; T109-E150 VanDerWaalsContact OG1-CD 3.23Å; T109-E150 PolarHBondContact OG1-OE1 3.02Å; T109-V154 HydrophobicContact CG2-CG2 4Å
110G93.8Very high94Very high5 Ų549.5 Ų49.55%0.05229%0.294CS..  trans117.5134.4168.300000113S119 T120 A121 L141 P144G110-S119 WeakPolarHBondContact O-CB 3.28Å; G110-T120 PolarHBondContact O-N 2.85Å; G110-A121 WeakPolarHBondContact O-CB 3.33Å; G110-A121 PolarHBondContact O-N 2.85Å; G110-L141 PolarHBondContact N-O 2.89Å; G110-P144 CarbonylContact C-O 3.57Å; G110-P144 WeakPolarHBondContact CA-O 3.4Å
111G92.3Very high94.1Very high10 Ų1045.3 Ų45.310%0.10327%0.274CS..  trans-86-166.8-170.700000115.7T120 D142 P144G111-T120 PolarHBondContact O-N 3.29Å; G111-T120 PolarHBondContact O-OG1 3.05Å; G111-D142 WeakPolarHBondContact CA-O 3.49Å; G111-P144 PolarHBondContact N-O 3.22Å
112V91.3Very high94.1Very high81 Ų8146.7 Ų46.749%0.49128%0.28SS..  trans-84.5122-176.7-176.30000110.1N116V112-N116 WeakPolarHBondContact CG1-O 3.01Å
113A88.4Confident94.3Very high41 Ų4141.6 Ų41.634%0.33925%0.247SC..  trans-64.4144.1166.400000109.8Y71 T115 N116Y71-A113 HydrophobicContact CE1-CB 3.98Å; Y71-A113 WeakPolarHBondContact OH-CB 3.08Å; Y71-A113 PolarHBondContact OH-N 3.22Å; A113-T115 PolarHBondContact O-N 3.31Å; A113-N116 HydrophobicContact CB-CB 4.36Å; A113-N116 PolarHBondContact O-N 2.64Å
114K84.7Confident94.4Very high213 Ų21338.5 Ų38.593%0.92622%0.215SC*.THydrogen-bonded Turntrans-45.9-31.3-171.2-173.4175.8179.6179.90115.7
115T85.5Confident94.4Very high132 Ų13238.4 Ų38.481%0.8121%0.214SC*.THydrogen-bonded Turntrans-109.73.4-175.856.90000114.2A113A113-T115 PolarHBondContact O-N 3.31Å
116N88.6Confident94.4Very high36 Ų3639.3 Ų39.319%0.19322%0.216CC..  trans-101.6154.3177.1-79.1-30000110.5Y71 V112 A113Y71-N116 HydrophobicContact CE2-CB 4.17Å; Y71-N116 VanDerWaalsContact CE2-ND2 3.31Å; Y71-N116 WeakPolarHBondContact CE2-ND2 3.05Å; Y71-N116 VanDerWaalsContact CZ-ND2 3.34Å; Y71-N116 WeakPolarHBondContact OH-CB 3.48Å; Y71-N116 PolarHBondContact OH-ND2 2.79Å; V112-N116 WeakPolarHBondContact CG1-O 3.01Å; A113-N116 HydrophobicContact CB-CB 4.36Å; A113-N116 PolarHBondContact O-N 2.64Å
117T91Very high94.4Very high121 Ų12139.4 Ų39.474%0.74222%0.216SC*.SBendtrans-98.8-6175.852.90000112.9
118V95.3Very high94.4Very high13 Ų1339.4 Ų39.48%0.07922%0.216CC..SBendtrans-127.7138.5-177-172.70000108.7Y71 W73 E122 V123Y71-V118 WeakPolarHBondContact CE2-O 3.4Å; Y71-V118 PolarHBondContact OH-O 3.36Å; W73-V118 HydrophobicContact CD2-CB 3.96Å; W73-V118 HydrophobicContact CD2-CG2 3.68Å; W73-V118 VanDerWaalsContact CE2-CG2 3.42Å; W73-V118 HydrophobicContact CE3-CB 4.29Å; W73-V118 HydrophobicContact CE3-CG1 4.46Å; W73-V118 HydrophobicContact CE3-CG2 4.3Å; W73-V118 HydrophobicContact CG-CB 4.15Å; W73-V118 HydrophobicContact CG-CG2 3.98Å; W73-V118 HydrophobicContact CH2-CG2 4.5Å; W73-V118 HydrophobicContact CZ2-CG2 3.88Å; V118-E122 HydrophobicContact CG1-CB 3.72Å; V118-E122 HydrophobicContact CG1-CG 3.58Å; V118-V123 HydrophobicContact CB-CG2 4.13Å; V118-V123 HydrophobicContact CG1-CG2 3.64Å
119S96.1Very high94.4Very high4 Ų442.6 Ų42.63%0.02823%0.231CC..  trans-75.5157.6178.8640000111.6G110 A121 E122 V123 D142G110-S119 WeakPolarHBondContact O-CB 3.28Å; S119-A121 PolarHBondContact O-N 3.17Å; S119-E122 PolarHBondContact O-N 3.36Å; S119-E122 VanDerWaalsContact OG-CB 3.25Å; S119-E122 WeakPolarHBondContact OG-CB 3.36Å; S119-E122 PolarHBondContact OG-N 3.11Å; S119-E122 VanDerWaalsContact OG-N 3.09Å; S119-V123 WeakPolarHBondContact O-CG2 3.36Å; S119-V123 PolarHBondContact O-N 3.47Å; S119-D142 VanDerWaalsContact OG-CB 3.23Å; S119-D142 WeakPolarHBondContact OG-CB 3.23Å
120T95.3Very high94.4Very high23 Ų2345.6 Ų45.614%0.14125%0.252CS..Hα-helixtrans-56.3-41.7173.6-49.70000111Y71 G110 G111 V123 G124Y71-T120 HydrophobicContact CD1-CG2 4.03Å; Y71-T120 WeakPolarHBondContact CD1-OG1 3.43Å; Y71-T120 WeakPolarHBondContact CE1-OG1 3.22Å; Y71-T120 HydrophobicContact CG-CG2 4.3Å; G110-T120 PolarHBondContact O-N 2.85Å; G111-T120 PolarHBondContact O-N 3.29Å; G111-T120 PolarHBondContact O-OG1 3.05Å; T120-V123 PolarHBondContact O-N 2.75Å; T120-G124 PolarHBondContact O-N 2.94Å
121A97.6Very high94.6Very high0 Ų049 Ų490%027%0.269CS..Hα-helixtrans-58.3-48.5177.300000112.3F108 G110 S119 G124 A125 T140 D142F108-A121 HydrophobicContact CB-CB 4.21Å; F108-A121 WeakPolarHBondContact CB-O 3.29Å; F108-A121 WeakPolarHBondContact O-CB 3.21Å; G110-A121 WeakPolarHBondContact O-CB 3.33Å; G110-A121 PolarHBondContact O-N 2.85Å; S119-A121 PolarHBondContact O-N 3.17Å; A121-G124 PolarHBondContact O-N 3.33Å; A121-A125 PolarHBondContact O-N 3.25Å; A121-T140 HydrophobicContact CB-CG2 4.45Å; A121-D142 HydrophobicContact CB-CB 4.26Å
122E97.8Very high94.9Very high35 Ų3551.2 Ų51.216%0.16429%0.291CS..Hα-helixtrans-71.5-33.8-178.8177.959.7-164.700112.1V118 S119 A125 R126 R135V118-E122 HydrophobicContact CG1-CB 3.72Å; V118-E122 HydrophobicContact CG1-CG 3.58Å; S119-E122 PolarHBondContact O-N 3.36Å; S119-E122 VanDerWaalsContact OG-CB 3.25Å; S119-E122 WeakPolarHBondContact OG-CB 3.36Å; S119-E122 PolarHBondContact OG-N 3.11Å; S119-E122 VanDerWaalsContact OG-N 3.09Å; E122-A125 PolarHBondContact O-N 3.26Å; E122-R126 WeakPolarHBondContact O-CG 3.38Å; E122-R126 PolarHBondContact O-N 3.02Å; E122-R126 IonicContact OE1-CZ 3.84Å; E122-R126 IonicContact OE1-NE 2.79Å; E122-R126 PolarHBondContact OE1-NE 2.97Å; E122-R126 IonicContact OE1-NH2 3.8Å; E122-R126 PolarHBondContact OE1-NH2 3.06Å; E122-R135 IonicContact OE1-NH1 3.13Å; E122-R135 IonicContact OE2-CZ 3.56Å; E122-R135 IonicContact OE2-NH1 3.76Å; E122-R135 PolarHBondContact OE2-NH1 3.18Å; E122-R135 IonicContact OE2-NH2 2.61Å; E122-R135 PolarHBondContact OE2-NH2 2.96Å
123V97.7Very high95.3Very high1 Ų147.5 Ų47.51%0.00627%0.269CS..Hα-helixtrans-61.8-47.1170.5177.10000110.3Y71 W73 N82 L83 V118 S119 T120 A125 R126 V127Y71-V123 HydrophobicContact CD2-CB 4.32Å; Y71-V123 HydrophobicContact CD2-CG2 3.76Å; Y71-V123 HydrophobicContact CE2-CG2 4.08Å; W73-V123 HydrophobicContact CE3-CG2 3.63Å; W73-V123 HydrophobicContact CZ3-CG2 4.12Å; N82-V123 HydrophobicContact CB-CG1 3.61Å; L83-V123 HydrophobicContact CD2-CB 4.36Å; L83-V123 HydrophobicContact CD2-CG1 3.63Å; L83-V123 HydrophobicContact CG-CG1 4.14Å; V118-V123 HydrophobicContact CB-CG2 4.13Å; V118-V123 HydrophobicContact CG1-CG2 3.64Å; S119-V123 WeakPolarHBondContact O-CG2 3.36Å; S119-V123 PolarHBondContact O-N 3.47Å; T120-V123 PolarHBondContact O-N 2.75Å; V123-A125 VanDerWaalsContact C-N 3.33Å; V123-A125 PolarHBondContact O-N 3.45Å; V123-R126 PolarHBondContact O-N 3.03Å; V123-V127 WeakPolarHBondContact O-CG2 3.49Å; V123-V127 PolarHBondContact O-N 3.37Å
124G98.1Very high95.7Very high5 Ų547.9 Ų47.95%0.05227%0.268CS..Hα-helixtrans-55.9-46.1174.600000112.6L91 T120 A121 R126 V127 A128L91-G124 VanDerWaalsContact CD1-O 3.23Å; L91-G124 WeakPolarHBondContact CD1-O 3.31Å; T120-G124 PolarHBondContact O-N 2.94Å; A121-G124 PolarHBondContact O-N 3.33Å; G124-R126 PolarHBondContact O-N 3.43Å; G124-V127 PolarHBondContact O-N 3.09Å; G124-A128 PolarHBondContact O-N 3.3Å
125A98.4Very high96.4Very high0 Ų041.9 Ų41.90%024%0.24CC..Hα-helixtrans-59.2-46.417700000112.6F108 A121 E122 V123 V127 A128 Q129 R135 I138 T140F108-A125 HydrophobicContact CD2-CB 4.13Å; A121-A125 PolarHBondContact O-N 3.25Å; E122-A125 PolarHBondContact O-N 3.26Å; V123-A125 VanDerWaalsContact C-N 3.33Å; V123-A125 PolarHBondContact O-N 3.45Å; A125-V127 VanDerWaalsContact C-N 3.33Å; A125-V127 PolarHBondContact O-N 3.03Å; A125-A128 PolarHBondContact O-N 3.36Å; A125-Q129 VanDerWaalsContact O-CG 3.3Å; A125-Q129 WeakPolarHBondContact O-CG 3.41Å; A125-Q129 PolarHBondContact O-N 3.3Å; A125-R135 VanDerWaalsContact CB-NH1 3.33Å; A125-I138 HydrophobicContact CB-CD1 4.47Å; A125-I138 HydrophobicContact CB-CG2 3.68Å; A125-T140 HydrophobicContact CB-CG2 3.63Å
126R98Very high97Very high98 Ų9842 Ų4237%0.3723%0.231SC..Hα-helixtrans-64.1-37.3178.6-71177-171.2-1630.5112.7W73 E122 V123 G124 S130W73-R126 VanDerWaalsContact CZ2-NH1 3.28Å; E122-R126 WeakPolarHBondContact O-CG 3.38Å; E122-R126 PolarHBondContact O-N 3.02Å; E122-R126 IonicContact OE1-CZ 3.84Å; E122-R126 IonicContact OE1-NE 2.79Å; E122-R126 PolarHBondContact OE1-NE 2.97Å; E122-R126 IonicContact OE1-NH2 3.8Å; E122-R126 PolarHBondContact OE1-NH2 3.06Å; V123-R126 PolarHBondContact O-N 3.03Å; G124-R126 PolarHBondContact O-N 3.43Å; R126-S130 WeakPolarHBondContact O-CB 3.34Å; R126-S130 PolarHBondContact O-N 2.89Å
127V98.3Very high97.5Very high1 Ų142.8 Ų42.81%0.00623%0.234CC..Hα-helixtrans-64.4-47.1173.3178.60000110.4P79 L83 L88 L91 V123 G124 A125 Q129 S130 L131P79-V127 VanDerWaalsContact C-CG2 3.42Å; P79-V127 HydrophobicContact CB-CG2 4.03Å; P79-V127 WeakPolarHBondContact O-CG2 3.35Å; L83-V127 HydrophobicContact CD1-CB 3.98Å; L83-V127 HydrophobicContact CD1-CG1 4.09Å; L83-V127 HydrophobicContact CD1-CG2 3.76Å; L83-V127 HydrophobicContact CG-CG2 3.97Å; L88-V127 HydrophobicContact CD1-CG1 4.35Å; L91-V127 HydrophobicContact CD1-CB 3.67Å; L91-V127 HydrophobicContact CD1-CG1 3.72Å; L91-V127 HydrophobicContact CD2-CG1 3.75Å; L91-V127 HydrophobicContact CG-CG1 4.43Å; V123-V127 WeakPolarHBondContact O-CG2 3.49Å; V123-V127 PolarHBondContact O-N 3.37Å; G124-V127 PolarHBondContact O-N 3.09Å; A125-V127 VanDerWaalsContact C-N 3.33Å; A125-V127 PolarHBondContact O-N 3.03Å; V127-Q129 VanDerWaalsContact C-N 3.33Å; V127-Q129 PolarHBondContact O-N 3.39Å; V127-S130 PolarHBondContact O-N 3.16Å; V127-S130 VanDerWaalsContact O-N 3.14Å; V127-S130 PolarHBondContact O-OG 3.33Å; V127-L131 HydrophobicContact CG1-CD1 4.11Å; V127-L131 WeakPolarHBondContact O-CG 3.49Å; V127-L131 PolarHBondContact O-N 2.98Å; V127-L131 VanDerWaalsContact O-N 3.16Å
128A98.7Very high97.8Very high0 Ų037.6 Ų37.60%020%0.201CC..Hα-helixtrans-60.8-41.1177.600000112.6L91 I95 F108 G124 A125 S130 L131 G132 V133 I138L91-A128 HydrophobicContact CD1-CB 4.39Å; I95-A128 HydrophobicContact CD1-CB 3.99Å; I95-A128 HydrophobicContact CG1-CB 4.4Å; F108-A128 HydrophobicContact CE2-CB 3.8Å; F108-A128 HydrophobicContact CZ-CB 3.76Å; G124-A128 PolarHBondContact O-N 3.3Å; A125-A128 PolarHBondContact O-N 3.36Å; A128-S130 PolarHBondContact O-N 3.17Å; A128-L131 CarbonylContact O-C 3.54Å; A128-L131 WeakPolarHBondContact O-CA 3.21Å; A128-L131 PolarHBondContact O-N 2.95Å; A128-L131 VanDerWaalsContact O-N 3.07Å; A128-G132 PolarHBondContact O-N 3.07Å; A128-V133 HydrophobicContact CB-CB 4.1Å; A128-V133 HydrophobicContact CB-CG2 4.03Å; A128-V133 WeakPolarHBondContact O-CB 3.47Å; A128-V133 WeakPolarHBondContact O-CG2 3.38Å; A128-V133 PolarHBondContact O-N 2.76Å; A128-I138 HydrophobicContact CB-CD1 4.01Å
129Q98.5Very high98Very high74 Ų7439.1 Ų39.135%0.34621%0.209SC..Hα-helixtrans-60.2-44173-70.7177-8500112.1A125 V127 L131 G132 V133 I138A125-Q129 VanDerWaalsContact O-CG 3.3Å; A125-Q129 WeakPolarHBondContact O-CG 3.41Å; A125-Q129 PolarHBondContact O-N 3.3Å; V127-Q129 VanDerWaalsContact C-N 3.33Å; V127-Q129 PolarHBondContact O-N 3.39Å; Q129-L131 PolarHBondContact O-N 3.17Å; Q129-L131 VanDerWaalsContact O-N 3.13Å; Q129-G132 PolarHBondContact O-N 2.88Å; Q129-V133 WeakPolarHBondContact CA-O 3.5Å; Q129-I138 HydrophobicContact CG-CD1 3.7Å
130S97.9Very high98.1Very high65 Ų6540.5 Ų40.546%0.45522%0.217SC..Hα-helixtrans-62.9-19176.377.60000113.6R126 V127 A128R126-S130 WeakPolarHBondContact O-CB 3.34Å; R126-S130 PolarHBondContact O-N 2.89Å; V127-S130 PolarHBondContact O-N 3.16Å; V127-S130 VanDerWaalsContact O-N 3.14Å; V127-S130 PolarHBondContact O-OG 3.33Å; A128-S130 PolarHBondContact O-N 3.17Å
131L98.1Very high98.2Very high76 Ų7640.7 Ų40.740%0.39822%0.217SC..THydrogen-bonded Turntrans-101.410.6177.4-62.6174.5000113.3L91 I95 R99 V127 A128 Q129L91-L131 HydrophobicContact CD2-CD1 3.82Å; I95-L131 HydrophobicContact CD1-CB 4.03Å; I95-L131 HydrophobicContact CD1-CD1 3.7Å; R99-L131 PolarHBondContact NH2-O 3.05Å; V127-L131 HydrophobicContact CG1-CD1 4.11Å; V127-L131 WeakPolarHBondContact O-CG 3.49Å; V127-L131 PolarHBondContact O-N 2.98Å; V127-L131 VanDerWaalsContact O-N 3.16Å; A128-L131 CarbonylContact O-C 3.54Å; A128-L131 WeakPolarHBondContact O-CA 3.21Å; A128-L131 PolarHBondContact O-N 2.95Å; A128-L131 VanDerWaalsContact O-N 3.07Å; Q129-L131 PolarHBondContact O-N 3.17Å; Q129-L131 VanDerWaalsContact O-N 3.13Å
132G98Very high98.1Very high56 Ų5644.2 Ų44.258%0.57724%0.235SC*.THydrogen-bonded Turntrans9611171.400000116A128 Q129 P134A128-G132 PolarHBondContact O-N 3.07Å; Q129-G132 PolarHBondContact O-N 2.88Å; G132-P134 WeakPolarHBondContact O-CD 3.32Å
133V98.6Very high97.9Very high4 Ų449.2 Ų49.22%0.02426%0.263CS..  trans-80.4122.3172-175.50000109.7I95 W98 L106 A128 Q129 Q137 I138I95-V133 HydrophobicContact CD1-CG2 4.2Å; I95-V133 HydrophobicContact CG1-CG2 4Å; I95-V133 HydrophobicContact CG2-CG2 4.28Å; W98-V133 HydrophobicContact CD2-CG1 4.42Å; W98-V133 HydrophobicContact CE3-CG2 3.98Å; W98-V133 HydrophobicContact CH2-CG1 4.34Å; W98-V133 HydrophobicContact CZ2-CG1 4.24Å; W98-V133 HydrophobicContact CZ3-CG1 4.48Å; W98-V133 HydrophobicContact CZ3-CG2 4.01Å; L106-V133 HydrophobicContact CD1-CG1 3.95Å; L106-V133 HydrophobicContact CD1-CG2 4.07Å; A128-V133 HydrophobicContact CB-CB 4.1Å; A128-V133 HydrophobicContact CB-CG2 4.03Å; A128-V133 WeakPolarHBondContact O-CB 3.47Å; A128-V133 WeakPolarHBondContact O-CG2 3.38Å; A128-V133 PolarHBondContact O-N 2.76Å; Q129-V133 WeakPolarHBondContact CA-O 3.5Å; V133-Q137 HydrophobicContact CG1-CB 4.35Å; V133-I138 HydrophobicContact CB-CD1 4.12Å; V133-I138 HydrophobicContact CG1-CD1 3.78Å; V133-I138 HydrophobicContact CG1-CG1 3.62Å
134P98.5Very high97.6Very high49 Ų4949.5 Ų49.532%0.31827%0.265SS..  trans-63.4144.7177.4-19.531.8000112.2G132 E136 Q137G132-P134 WeakPolarHBondContact O-CD 3.32Å; P134-E136 VanDerWaalsContact C-N 3.27Å; P134-E136 HydrophobicContact CB-CG 4.19Å; P134-E136 VanDerWaalsContact CB-OE1 3.32Å; P134-E136 WeakPolarHBondContact CB-OE1 3.16Å; P134-E136 VanDerWaalsContact CB-OE2 3.28Å; P134-E136 WeakPolarHBondContact CB-OE2 3.33Å; P134-E136 PolarHBondContact O-N 3.28Å; P134-Q137 HydrophobicContact CB-CG 4.16Å; P134-Q137 HydrophobicContact CG-CG 4.26Å; P134-Q137 WeakPolarHBondContact O-CB 3.21Å; P134-Q137 PolarHBondContact O-N 3.42Å
135R98.2Very high97.3Very high86 Ų8657.8 Ų57.833%0.32530%0.299SS..G310 helixtrans-61.9-37.3-175.6-178.853.8-171.5-157.44.1112.2E122 A125 Q137 I138E122-R135 IonicContact OE1-NH1 3.13Å; E122-R135 IonicContact OE2-CZ 3.56Å; E122-R135 IonicContact OE2-NH1 3.76Å; E122-R135 PolarHBondContact OE2-NH1 3.18Å; E122-R135 IonicContact OE2-NH2 2.61Å; E122-R135 PolarHBondContact OE2-NH2 2.96Å; A125-R135 VanDerWaalsContact CB-NH1 3.33Å; R135-Q137 PolarHBondContact O-N 3.47Å; R135-I138 PolarHBondContact O-N 2.93Å
136E98.2Very high97Very high134 Ų13460.9 Ų60.963%0.62632%0.316SS*.G310 helixtrans-64.1-17.4178.864-87.8-153.700113.3P134P134-E136 VanDerWaalsContact C-N 3.27Å; P134-E136 HydrophobicContact CB-CG 4.19Å; P134-E136 VanDerWaalsContact CB-OE1 3.32Å; P134-E136 WeakPolarHBondContact CB-OE1 3.16Å; P134-E136 VanDerWaalsContact CB-OE2 3.28Å; P134-E136 WeakPolarHBondContact CB-OE2 3.33Å; P134-E136 PolarHBondContact O-N 3.28Å
137Q98.4Very high96.7Very high54 Ų5457 Ų5725%0.25230%0.303SS..G310 helixtrans-92.83.1173.6-57.8-61.7-2300112.7W98 S104 K105 L106 V133 P134 R135W98-Q137 HydrophobicContact CZ2-CB 4.18Å; W98-Q137 HydrophobicContact CZ2-CG 4.14Å; S104-Q137 PolarHBondContact O-OE1 3.48Å; K105-Q137 CarbonylContact C-O 3.49Å; K105-Q137 WeakPolarHBondContact CA-O 3.49Å; L106-Q137 PolarHBondContact N-O 3.24Å; V133-Q137 HydrophobicContact CG1-CB 4.35Å; P134-Q137 HydrophobicContact CB-CG 4.16Å; P134-Q137 HydrophobicContact CG-CG 4.26Å; P134-Q137 WeakPolarHBondContact O-CB 3.21Å; P134-Q137 PolarHBondContact O-N 3.42Å; R135-Q137 PolarHBondContact O-N 3.47Å
138I98.7Very high96.5Very high12 Ų1258.9 Ų58.96%0.06231%0.312CS..EExtended strand (participates in β ladder)trans-117.6128.9-178-57169.4000110.4L106 F108 A125 A128 Q129 V133 R135 T140L106-I138 CarbonylContact O-C 3.55Å; L106-I138 WeakPolarHBondContact O-CA 3.32Å; F108-I138 HydrophobicContact CD2-CG2 3.6Å; F108-I138 HydrophobicContact CE2-CG2 3.85Å; A125-I138 HydrophobicContact CB-CD1 4.47Å; A125-I138 HydrophobicContact CB-CG2 3.68Å; A128-I138 HydrophobicContact CB-CD1 4.01Å; Q129-I138 HydrophobicContact CG-CD1 3.7Å; V133-I138 HydrophobicContact CB-CD1 4.12Å; V133-I138 HydrophobicContact CG1-CD1 3.78Å; V133-I138 HydrophobicContact CG1-CG1 3.62Å; R135-I138 PolarHBondContact O-N 2.93Å; I138-T140 HydrophobicContact CG2-CG2 4.35Å
139I98.6Very high96.4Very high45 Ų4562.4 Ų62.423%0.23133%0.328CS..EExtended strand (participates in β ladder)trans-107.8134.4169-59.2170.6000107.9Y63 K105 L106 I107 F108 L141Y63-I139 HydrophobicContact CD1-CD1 4.46Å; Y63-I139 HydrophobicContact CE1-CD1 4.13Å; K105-I139 HydrophobicContact CB-CD1 4.34Å; K105-I139 HydrophobicContact CD-CD1 3.8Å; K105-I139 HydrophobicContact CD-CG1 4.16Å; L106-I139 PolarHBondContact O-N 3.16Å; I107-I139 WeakPolarHBondContact CA-O 3.47Å; I107-I139 HydrophobicContact CB-CB 4.49Å; I107-I139 HydrophobicContact CD1-CD1 4.25Å; I107-I139 HydrophobicContact CG1-CB 4.12Å; I107-I139 HydrophobicContact CG1-CD1 4.21Å; I107-I139 HydrophobicContact CG2-CB 4.33Å; I107-I139 HydrophobicContact CG2-CG2 4.29Å; F108-I139 PolarHBondContact N-O 3.38Å; I139-L141 HydrophobicContact CG2-CD2 4.08Å; I139-L141 HydrophobicContact CG2-CG 4.46Å
140T98.4Very high96.3Very high33 Ų3359.6 Ų59.620%0.20232%0.315CS..EExtended strand (participates in β ladder)trans-113.6121.8175.651.20000109.9A121 A125 I138A121-T140 HydrophobicContact CB-CG2 4.45Å; A125-T140 HydrophobicContact CB-CG2 3.63Å; I138-T140 HydrophobicContact CG2-CG2 4.35Å
141L97.8Very high96.3Very high26 Ų2656.5 Ų56.514%0.13629%0.293CS..EExtended strand (participates in β ladder)trans-106.593.5171.5-55-179.2000108I107 F108 T109 G110 I139 A153 V154 A157I107-L141 HydrophobicContact CG2-CD1 3.74Å; I107-L141 HydrophobicContact CG2-CG 3.88Å; F108-L141 PolarHBondContact O-N 3.3Å; T109-L141 CarbonylContact C-O 3.53Å; T109-L141 WeakPolarHBondContact CA-O 3.42Å; T109-L141 HydrophobicContact CG2-CB 4.29Å; T109-L141 HydrophobicContact CG2-CD1 4.15Å; G110-L141 PolarHBondContact N-O 2.89Å; I139-L141 HydrophobicContact CG2-CD2 4.08Å; I139-L141 HydrophobicContact CG2-CG 4.46Å; L141-A153 HydrophobicContact CB-CB 4.43Å; L141-A153 HydrophobicContact CD1-CB 4.07Å; L141-V154 HydrophobicContact CD1-CG2 3.81Å; L141-A157 HydrophobicContact CD1-CB 4.18Å; L141-A157 HydrophobicContact CD2-CB 4.04Å
142D95.2Very high96.2Very high74 Ų7454.4 Ų54.440%0.39629%0.287SS..  trans-106.311.9-162.866.2-11.5000115.2G111 S119 A121G111-D142 WeakPolarHBondContact CA-O 3.49Å; S119-D142 VanDerWaalsContact OG-CB 3.23Å; S119-D142 WeakPolarHBondContact OG-CB 3.23Å; A121-D142 HydrophobicContact CB-CB 4.26Å
143L93.9Very high96.2Very high141 Ų14152.6 Ų52.674%0.73827%0.267SS*.  trans-97.8-38.9174.9-59.8178.8000114.4
144P92.3Very high96.2Very high7 Ų752.4 Ų52.45%0.04527%0.266CS..  trans-58.6136.5-174.4-30.238.4000114.8G110 G111 E149 E150 A153G110-P144 CarbonylContact C-O 3.57Å; G110-P144 WeakPolarHBondContact CA-O 3.4Å; G111-P144 PolarHBondContact N-O 3.22Å; P144-E149 WeakPolarHBondContact CA-OE2 3.37Å; P144-E149 HydrophobicContact CB-CB 3.8Å; P144-E150 HydrophobicContact CB-CB 4.27Å; P144-E150 HydrophobicContact CB-CG 3.62Å; P144-E150 HydrophobicContact CG-CG 4.42Å; P144-A153 HydrophobicContact CG-CB 3.49Å; P144-A153 VanDerWaalsContact CG-CB 3.49Å
145K90.7Very high96.2Very high178 Ų17852 Ų5277%0.77426%0.259SS*.  trans-101.5-26.2-177.5-61.8166.1-167.41560113.4E149K145-E149 WeakPolarHBondContact CB-OE2 3.21Å; K145-E149 PolarHBondContact N-OE2 2.96Å
146D92.3Very high96.2Very high65 Ų6556.3 Ų56.335%0.34828%0.283SS..SBendtrans-141.4172.8178.466.628.8000110.9E148 E149 E150D146-E148 PolarHBondContact O-N 2.83Å; D146-E148 WeakPolarHBondContact OD1-CB 3.48Å; D146-E148 PolarHBondContact OD1-N 3.15Å; D146-E148 VanDerWaalsContact OD1-N 3.14Å; D146-E149 PolarHBondContact O-N 2.83Å; D146-E149 PolarHBondContact OD1-N 3.42Å; D146-E150 VanDerWaalsContact O-CG 3.31Å; D146-E150 WeakPolarHBondContact O-CG 3.26Å; D146-E150 PolarHBondContact O-N 2.96Å
147T91.4Very high96.2Very high16 Ų1652.1 Ų52.110%0.09827%0.271CS..Hα-helixtrans-66.5-21-173.1-52.10000113.8L67 E150 A151 A175 F178 F179L67-T147 HydrophobicContact CD1-CG2 4.09Å; T147-E150 VanDerWaalsContact CA-OE2 3.31Å; T147-E150 WeakPolarHBondContact CA-OE2 3.35Å; T147-E150 PolarHBondContact OG1-OE2 2.83Å; T147-A151 PolarHBondContact O-N 3.08Å; T147-A151 VanDerWaalsContact O-N 3.13Å; T147-A175 HydrophobicContact CG2-CB 4.1Å; T147-F178 HydrophobicContact CG2-CB 4.26Å; T147-F178 HydrophobicContact CG2-CD2 3.71Å; T147-F178 HydrophobicContact CG2-CG 4.35Å; T147-F179 HydrophobicContact CG2-CE2 4.27Å
148E94.2Very high96.1Very high41 Ų4150.3 Ų50.319%0.19226%0.263CS..Hα-helixtrans-71.6-49174.4-173.2-179.2174.700109.9D146 E150 A151 A152 F178 K232 R239D146-E148 PolarHBondContact O-N 2.83Å; D146-E148 WeakPolarHBondContact OD1-CB 3.48Å; D146-E148 PolarHBondContact OD1-N 3.15Å; D146-E148 VanDerWaalsContact OD1-N 3.14Å; E148-E150 VanDerWaalsContact C-N 3.28Å; E148-E150 PolarHBondContact O-N 3.29Å; E148-A151 PolarHBondContact O-N 2.86Å; E148-A152 PolarHBondContact O-N 2.84Å; E148-F178 HydrophobicContact CB-CD1 3.95Å; E148-F178 HydrophobicContact CB-CE1 4.13Å; E148-F178 HydrophobicContact CG-CD1 4.29Å; E148-K232 IonicContact OE2-NZ 3.37Å; E148-K232 PolarHBondContact OE2-NZ 3.03Å; E148-R239 IonicContact OE1-CZ 3.7Å; E148-R239 IonicContact OE1-NH1 3.91Å; E148-R239 IonicContact OE1-NH2 2.68Å; E148-R239 PolarHBondContact OE1-NH2 3.02Å
149E96Very high96Very high75 Ų7551.1 Ų51.135%0.3527%0.274SS..Hα-helixtrans-64.5-32.1173.5-66.3-178.9-178.100112.2P144 K145 D146 A152 A153P144-E149 WeakPolarHBondContact CA-OE2 3.37Å; P144-E149 HydrophobicContact CB-CB 3.8Å; K145-E149 WeakPolarHBondContact CB-OE2 3.21Å; K145-E149 PolarHBondContact N-OE2 2.96Å; D146-E149 PolarHBondContact O-N 2.83Å; D146-E149 PolarHBondContact OD1-N 3.42Å; E149-A152 PolarHBondContact O-N 2.89Å; E149-A153 WeakPolarHBondContact O-CB 3.42Å; E149-A153 PolarHBondContact O-N 2.95Å
150E97.1Very high95.9Very high14 Ų1454.8 Ų54.87%0.06529%0.294CS..Hα-helixtrans-64.3-43.1175.8-70.4177.5135.500111.2L67 T109 P144 D146 T147 E148 A153 V154L67-E150 HydrophobicContact CD2-CB 4.41Å; T109-E150 WeakPolarHBondContact CB-OE1 3.3Å; T109-E150 VanDerWaalsContact OG1-CD 3.23Å; T109-E150 PolarHBondContact OG1-OE1 3.02Å; P144-E150 HydrophobicContact CB-CB 4.27Å; P144-E150 HydrophobicContact CB-CG 3.62Å; P144-E150 HydrophobicContact CG-CG 4.42Å; D146-E150 VanDerWaalsContact O-CG 3.31Å; D146-E150 WeakPolarHBondContact O-CG 3.26Å; D146-E150 PolarHBondContact O-N 2.96Å; T147-E150 VanDerWaalsContact CA-OE2 3.31Å; T147-E150 WeakPolarHBondContact CA-OE2 3.35Å; T147-E150 PolarHBondContact OG1-OE2 2.83Å; E148-E150 VanDerWaalsContact C-N 3.28Å; E148-E150 PolarHBondContact O-N 3.29Å; E150-A153 PolarHBondContact O-N 2.73Å; E150-V154 VanDerWaalsContact O-CG2 3.26Å; E150-V154 WeakPolarHBondContact O-CG2 3.3Å; E150-V154 PolarHBondContact O-N 2.95Å
151A97.3Very high95.7Very high0 Ų054.4 Ų54.40%029%0.294CS..Hα-helixtrans-60.7-46.2176.300000111.6T147 E148 V154 K155 F179 E182T147-A151 PolarHBondContact O-N 3.08Å; T147-A151 VanDerWaalsContact O-N 3.13Å; E148-A151 PolarHBondContact O-N 2.86Å; A151-V154 PolarHBondContact O-N 3.49Å; A151-K155 PolarHBondContact O-N 2.93Å; A151-F179 HydrophobicContact CB-CD1 4.09Å; A151-F179 HydrophobicContact CB-CD2 3.97Å; A151-F179 HydrophobicContact CB-CE1 4.28Å; A151-F179 HydrophobicContact CB-CE2 4.14Å; A151-F179 HydrophobicContact CB-CG 3.96Å; A151-F179 HydrophobicContact CB-CZ 4.3Å; A151-E182 HydrophobicContact CB-CB 4.06Å; A151-E182 HydrophobicContact CB-CG 4.45Å
152A97.4Very high95.5Very high33 Ų3356 Ų5627%0.27331%0.307SS..Hα-helixtrans-61.2-45.717700000112.4E148 E149 V154 K155 Q156 E182E148-A152 PolarHBondContact O-N 2.84Å; E149-A152 PolarHBondContact O-N 2.89Å; A152-V154 VanDerWaalsContact C-N 3.32Å; A152-V154 PolarHBondContact O-N 3.28Å; A152-K155 PolarHBondContact O-N 3.46Å; A152-Q156 PolarHBondContact O-N 3.23Å; A152-E182 HydrophobicContact CB-CG 4.29Å; A152-E182 WeakPolarHBondContact CB-OE1 3.42Å
153A98Very high95.7Very high18 Ų1852.6 Ų52.615%0.14929%0.288CS..Hα-helixtrans-64.8-36.6178.100000112.3L141 P144 E149 E150 A157L141-A153 HydrophobicContact CB-CB 4.43Å; L141-A153 HydrophobicContact CD1-CB 4.07Å; P144-A153 HydrophobicContact CG-CB 3.49Å; P144-A153 VanDerWaalsContact CG-CB 3.49Å; E149-A153 WeakPolarHBondContact O-CB 3.42Å; E149-A153 PolarHBondContact O-N 2.95Å; E150-A153 PolarHBondContact O-N 2.73Å; A153-A157 WeakPolarHBondContact O-CB 3.41Å; A153-A157 PolarHBondContact O-N 3.33Å
154V98.3Very high95.9Very high0 Ų045.9 Ų45.90%025%0.253CS..Hα-helixtrans-65.5-47.9173.9170.40000110.4V65 T109 L141 E150 A151 A152 Q156 A157 I158 F163 F179 L184V65-V154 HydrophobicContact CG1-CG2 3.85Å; V65-V154 HydrophobicContact CG2-CG1 3.95Å; V65-V154 HydrophobicContact CG2-CG2 4.15Å; T109-V154 HydrophobicContact CG2-CG2 4Å; L141-V154 HydrophobicContact CD1-CG2 3.81Å; E150-V154 VanDerWaalsContact O-CG2 3.26Å; E150-V154 WeakPolarHBondContact O-CG2 3.3Å; E150-V154 PolarHBondContact O-N 2.95Å; A151-V154 PolarHBondContact O-N 3.49Å; A152-V154 VanDerWaalsContact C-N 3.32Å; A152-V154 PolarHBondContact O-N 3.28Å; V154-Q156 VanDerWaalsContact C-N 3.27Å; V154-Q156 PolarHBondContact O-N 3.49Å; V154-A157 PolarHBondContact O-N 2.95Å; V154-I158 HydrophobicContact CG1-CD1 3.77Å; V154-I158 HydrophobicContact CG1-CG1 3.99Å; V154-I158 WeakPolarHBondContact O-CG1 3.45Å; V154-I158 PolarHBondContact O-N 3.2Å; V154-F163 HydrophobicContact CG1-CE1 4.37Å; V154-F163 HydrophobicContact CG1-CE2 4.2Å; V154-F163 HydrophobicContact CG1-CZ 3.97Å; V154-F179 HydrophobicContact CB-CE1 3.97Å; V154-F179 HydrophobicContact CG1-CE1 4.05Å; V154-F179 HydrophobicContact CG2-CE1 4.04Å; V154-F179 HydrophobicContact CG2-CZ 4.28Å; V154-L184 HydrophobicContact CB-CD1 4.34Å; V154-L184 HydrophobicContact CG1-CD1 4.05Å
155K98Very high96.2Very high41 Ų4145.6 Ų45.618%0.17825%0.251CS..Hα-helixtrans-53.7-45.9176.2178.770178.6-163.60111.3A151 A152 A157 G159 D160 E182 L184A151-K155 PolarHBondContact O-N 2.93Å; A152-K155 PolarHBondContact O-N 3.46Å; K155-A157 VanDerWaalsContact C-N 3.31Å; K155-A157 PolarHBondContact O-N 2.71Å; K155-G159 VanDerWaalsContact O-CA 3.26Å; K155-G159 WeakPolarHBondContact O-CA 3.3Å; K155-G159 PolarHBondContact O-N 2.82Å; K155-D160 IonicContact NZ-OD1 3.64Å; K155-D160 PolarHBondContact NZ-OD1 3.36Å; K155-D160 IonicContact NZ-OD2 2.73Å; K155-E182 HydrophobicContact CB-CG 4.18Å; K155-L184 HydrophobicContact CB-CD1 3.97Å; K155-L184 HydrophobicContact CB-CD2 4.15Å; K155-L184 HydrophobicContact CB-CG 4.14Å; K155-L184 HydrophobicContact CD-CD2 3.49Å; K155-L184 VanDerWaalsContact CD-CD2 3.49Å; K155-L184 HydrophobicContact CD-CG 3.96Å; K155-L184 HydrophobicContact CG-CD2 4.42Å
156Q97.9Very high96.6Very high175 Ų17537.1 Ų37.182%0.81821%0.214SC*.Hα-helixtrans-62.9-37176.8-172.1-179.27.500112.7A152 V154A152-Q156 PolarHBondContact O-N 3.23Å; V154-Q156 VanDerWaalsContact C-N 3.27Å; V154-Q156 PolarHBondContact O-N 3.49Å
157A97.7Very high96.8Very high47 Ų4734 Ų3439%0.38820%0.197SC..Hα-helixtrans-78.2-35.7-175.400000114L141 A153 V154 K155L141-A157 HydrophobicContact CD1-CB 4.18Å; L141-A157 HydrophobicContact CD2-CB 4.04Å; A153-A157 WeakPolarHBondContact O-CB 3.41Å; A153-A157 PolarHBondContact O-N 3.33Å; V154-A157 PolarHBondContact O-N 2.95Å; K155-A157 VanDerWaalsContact C-N 3.31Å; K155-A157 PolarHBondContact O-N 2.71Å
158I97.5Very high97.2Very high16 Ų1633.2 Ų33.28%0.08219%0.193CC..Hα-helixtrans-125.2-2.4-171.471.9174.3000114.8Y63 I107 V154 D160 A161 F163Y63-I158 HydrophobicContact CD1-CG2 3.81Å; Y63-I158 HydrophobicContact CD2-CB 3.95Å; Y63-I158 HydrophobicContact CD2-CD1 4.09Å; Y63-I158 HydrophobicContact CD2-CG2 3.83Å; Y63-I158 HydrophobicContact CE1-CG2 3.8Å; Y63-I158 HydrophobicContact CE2-CB 3.88Å; Y63-I158 HydrophobicContact CE2-CG2 3.85Å; Y63-I158 HydrophobicContact CG-CB 4.41Å; Y63-I158 HydrophobicContact CG-CD1 4.3Å; Y63-I158 HydrophobicContact CG-CG2 3.81Å; I107-I158 HydrophobicContact CD1-CG2 3.51Å; V154-I158 HydrophobicContact CG1-CD1 3.77Å; V154-I158 HydrophobicContact CG1-CG1 3.99Å; V154-I158 WeakPolarHBondContact O-CG1 3.45Å; V154-I158 PolarHBondContact O-N 3.2Å; I158-D160 PolarHBondContact O-N 2.67Å; I158-A161 HydrophobicContact CB-CB 4.39Å; I158-A161 WeakPolarHBondContact O-CB 3.24Å; I158-A161 PolarHBondContact O-N 2.74Å; I158-F163 HydrophobicContact CD1-CB 3.96Å; I158-F163 HydrophobicContact CD1-CD1 3.5Å; I158-F163 HydrophobicContact CD1-CE1 4.04Å; I158-F163 HydrophobicContact CD1-CG 3.76Å
159G96.8Very high97.3Very high28 Ų2831.4 Ų31.429%0.28918%0.184SC..THydrogen-bonded Turntrans59.8-128.7-174.400000111.4K155 L184K155-G159 VanDerWaalsContact O-CA 3.26Å; K155-G159 WeakPolarHBondContact O-CA 3.3Å; K155-G159 PolarHBondContact O-N 2.82Å; G159-L184 VanDerWaalsContact O-CD2 3.23Å; G159-L184 WeakPolarHBondContact O-CD2 3.42Å
160D95Very high97.4Very high122 Ų12227.9 Ų27.965%0.65217%0.168SC*.THydrogen-bonded Turntrans-98.913.2179.5-64.6-50.3000113.9K155 I158K155-D160 IonicContact NZ-OD1 3.64Å; K155-D160 PolarHBondContact NZ-OD1 3.36Å; K155-D160 IonicContact NZ-OD2 2.73Å; I158-D160 PolarHBondContact O-N 2.67Å
161A95.9Very high97.5Very high25 Ų2527.7 Ų27.721%0.20717%0.167CC..  trans-59134.5179.400000110.8Y63 I158 F163Y63-A161 HydrophobicContact CD2-CB 3.87Å; Y63-A161 HydrophobicContact CE2-CB 3.68Å; I158-A161 HydrophobicContact CB-CB 4.39Å; I158-A161 WeakPolarHBondContact O-CB 3.24Å; I158-A161 PolarHBondContact O-N 2.74Å; A161-F163 WeakPolarHBondContact O-CD1 3.36Å; A161-F163 PolarHBondContact O-N 3.1Å
162P93Very high97.5Very high61 Ų6127.7 Ų27.740%0.39617%0.167SC..  trans-66135.8179.627.4-34.2000110.8
163F98.2Very high97.5Very high2 Ų226.1 Ų26.11%0.00915%0.154CC..EExtended strand (participates in β ladder)trans-146154.8-176.870.5-81.2000112.4Y63 V65 V154 I158 A161 L165 F179 L184 P186 L187Y63-F163 WeakPolarHBondContact O-CA 3.18Å; Y63-F163 VanDerWaalsContact O-CB 3.27Å; Y63-F163 WeakPolarHBondContact O-CB 3.46Å; V65-F163 HydrophobicContact CB-CD2 3.78Å; V65-F163 HydrophobicContact CB-CE2 3.93Å; V65-F163 HydrophobicContact CG2-CD2 3.33Å; V65-F163 HydrophobicContact CG2-CE2 3.64Å; V65-F163 HydrophobicContact CG2-CG 4.15Å; V154-F163 HydrophobicContact CG1-CE1 4.37Å; V154-F163 HydrophobicContact CG1-CE2 4.2Å; V154-F163 HydrophobicContact CG1-CZ 3.97Å; I158-F163 HydrophobicContact CD1-CB 3.96Å; I158-F163 HydrophobicContact CD1-CD1 3.5Å; I158-F163 HydrophobicContact CD1-CE1 4.04Å; I158-F163 HydrophobicContact CD1-CG 3.76Å; A161-F163 WeakPolarHBondContact O-CD1 3.36Å; A161-F163 PolarHBondContact O-N 3.1Å; F163-L165 HydrophobicContact CE2-CB 4.14Å; F163-L165 HydrophobicContact CE2-CD1 4.28Å; F163-F179 HydrophobicContact CE2-CD1 4.12Å; F163-F179 AromaticContact CE2-CE1 3.93Å; F163-F179 HydrophobicContact CE2-CE1 3.93Å; F163-F179 AromaticContact CZ-CD1 3.63Å; F163-F179 HydrophobicContact CZ-CD1 3.63Å; F163-F179 AromaticContact CZ-CE1 3.8Å; F163-F179 HydrophobicContact CZ-CE1 3.8Å; F163-L184 HydrophobicContact CE1-CB 4.23Å; F163-L184 HydrophobicContact CE1-CD1 4.31Å; F163-L184 HydrophobicContact CE1-CD2 4.21Å; F163-L184 HydrophobicContact CZ-CB 4.42Å; F163-L184 HydrophobicContact CZ-CD1 4.15Å; F163-P186 HydrophobicContact CD2-CB 4.23Å; F163-P186 HydrophobicContact CE1-CB 4.03Å; F163-P186 HydrophobicContact CE2-CB 3.65Å; F163-P186 HydrophobicContact CE2-CG 4.46Å; F163-P186 HydrophobicContact CZ-CB 3.54Å; F163-P186 HydrophobicContact CZ-CG 4.04Å; F163-L187 PolarHBondContact O-N 2.84Å
164L98.5Very high97.4Very high0 Ų026.4 Ų26.40%015%0.152CC..EExtended strand (participates in β ladder)trans-84.8128.8169.9-71165000109.7W55 V61 Y63 I64 V65 L97 L187 A189W55-L164 HydrophobicContact CD2-CD2 3.44Å; W55-L164 VanDerWaalsContact CD2-CD2 3.44Å; W55-L164 VanDerWaalsContact CE2-CD2 3.45Å; W55-L164 HydrophobicContact CE3-CD2 3.62Å; W55-L164 HydrophobicContact CG-CD2 4.07Å; W55-L164 HydrophobicContact CH2-CD2 3.88Å; W55-L164 HydrophobicContact CZ2-CD2 3.67Å; W55-L164 HydrophobicContact CZ3-CD2 3.85Å; V61-L164 HydrophobicContact CG1-CG 4.2Å; V61-L164 HydrophobicContact CG2-CB 4.44Å; V61-L164 HydrophobicContact CG2-CD1 3.69Å; V61-L164 HydrophobicContact CG2-CG 3.79Å; Y63-L164 PolarHBondContact O-N 2.94Å; I64-L164 HydrophobicContact CG1-CB 4.28Å; I64-L164 HydrophobicContact CG1-CD1 4.21Å; I64-L164 HydrophobicContact CG2-CB 4.36Å; V65-L164 PolarHBondContact N-O 3.09Å; L97-L164 HydrophobicContact CB-CD1 4.29Å; L97-L164 HydrophobicContact CD1-CD1 4.24Å; L97-L164 HydrophobicContact CD2-CD1 4.26Å; L164-L187 WeakPolarHBondContact CA-O 3.49Å; L164-L187 HydrophobicContact CD2-CB 3.65Å; L164-L187 HydrophobicContact CD2-CD1 4.45Å; L164-L187 HydrophobicContact CG-CB 4.5Å; L164-A189 HydrophobicContact CB-CB 4.29Å; L164-A189 HydrophobicContact CD2-CB 4.12Å
165L98.7Very high97.4Very high0 Ų026.4 Ų26.40%015%0.152CC..EExtended strand (participates in β ladder)trans-99.2105.9172.3-177.864.9000109.9V65 L67 F163 L172 A175 M176 F179 P186 L187 A189V65-L165 HydrophobicContact CB-CD1 4.19Å; V65-L165 HydrophobicContact CG1-CD1 3.91Å; L67-L165 HydrophobicContact CD1-CD1 4.02Å; L67-L165 HydrophobicContact CD2-CD1 3.98Å; L67-L165 HydrophobicContact CG-CD1 3.82Å; F163-L165 HydrophobicContact CE2-CB 4.14Å; F163-L165 HydrophobicContact CE2-CD1 4.28Å; L165-L172 HydrophobicContact CD2-CD1 4.13Å; L165-L172 HydrophobicContact CG-CD1 4.21Å; L165-A175 HydrophobicContact CD2-CB 4.22Å; L165-M176 HydrophobicContact CD2-SD 3.89Å; L165-F179 HydrophobicContact CD1-CD2 4.32Å; L165-F179 HydrophobicContact CD1-CE1 4.01Å; L165-F179 HydrophobicContact CD1-CE2 3.78Å; L165-F179 HydrophobicContact CD1-CZ 3.59Å; L165-F179 HydrophobicContact CD2-CD1 4.46Å; L165-F179 HydrophobicContact CD2-CD2 3.69Å; L165-F179 HydrophobicContact CD2-CE2 3.96Å; L165-F179 HydrophobicContact CD2-CG 3.96Å; L165-F179 HydrophobicContact CD2-CZ 4.44Å; L165-P186 HydrophobicContact CB-CB 3.59Å; L165-P186 HydrophobicContact CB-CG 4.3Å; L165-P186 HydrophobicContact CD2-CB 4.28Å; L165-P186 HydrophobicContact CD2-CG 4.07Å; L165-L187 PolarHBondContact N-O 3.27Å; L165-A189 PolarHBondContact O-N 3.46Å
166V98.6Very high97.4Very high0 Ų024.8 Ų24.80%015%0.145CC..EExtended strand (participates in β ladder)trans-98115.3-178.2-175.20000110.3I64 V65 V66 L67 R90 E93 L97 A189 A191I64-V166 HydrophobicContact CG2-CG2 3.69Å; V65-V166 PolarHBondContact O-N 3.24Å; V66-V166 WeakPolarHBondContact CA-O 3.23Å; V66-V166 HydrophobicContact CG1-CG1 4.47Å; V66-V166 HydrophobicContact CG2-CB 4.14Å; L67-V166 PolarHBondContact N-O 2.89Å; R90-V166 WeakPolarHBondContact O-CG1 3.46Å; E93-V166 HydrophobicContact CB-CG1 4.09Å; E93-V166 HydrophobicContact CG-CG1 4Å; L97-V166 HydrophobicContact CD1-CG2 3.65Å; V166-A189 WeakPolarHBondContact CA-O 3.44Å; V166-A189 HydrophobicContact CG2-CB 3.85Å; V166-A191 HydrophobicContact CG1-CB 4.06Å
167T98.3Very high97.3Very high0 Ų018.5 Ų18.50%012%0.116CC..EExtended strand (participates in β ladder)trans-154178.3170.2-162.60000110.1L67 R90 H171 L172 A175 A191L67-T167 HydrophobicContact CD1-CG2 4.39Å; R90-T167 PolarHBondContact NE-OG1 3.05Å; R90-T167 PolarHBondContact NH1-OG1 2.99Å; T167-H171 HydrophobicContact CG2-CB 4.17Å; T167-H171 PolarHBondContact OG1-ND1 3.39Å; T167-L172 VanDerWaalsContact CG2-CA 3.46Å; T167-L172 HydrophobicContact CG2-CB 3.66Å; T167-L172 HydrophobicContact CG2-CD1 3.7Å; T167-L172 HydrophobicContact CG2-CG 4.27Å; T167-A175 HydrophobicContact CG2-CB 4.15Å; T167-A191 PolarHBondContact O-N 3.25Å
168S98Very high97.2Very high0 Ų017 Ų170%010%0.101CC..EExtended strand (participates in β ladder)trans-59.4141.6178.9-63.80000110.9N86 R90 S170 H171 L172 A191 N192N86-S168 WeakPolarHBondContact CB-OG 3.4Å; R90-S168 VanDerWaalsContact NE-N 3.13Å; R90-S168 PolarHBondContact NE-OG 3.11Å; R90-S168 PolarHBondContact NH2-OG 3.09Å; S168-S170 PolarHBondContact O-N 2.96Å; S168-S170 VanDerWaalsContact O-N 3.15Å; S168-H171 CarbonylContact O-C 3.45Å; S168-H171 WeakPolarHBondContact O-CA 3.37Å; S168-H171 WeakPolarHBondContact O-CB 3.38Å; S168-H171 PolarHBondContact O-N 2.97Å; S168-L172 WeakPolarHBondContact O-CB 3.41Å; S168-L172 PolarHBondContact O-N 2.96Å; S168-A191 CarbonylContact C-O 3.53Å; S168-A191 WeakPolarHBondContact CA-O 3.25Å; S168-N192 PolarHBondContact OG-ND2 3.24Å
169A98.1Very high97.2Very high2 Ų216.3 Ų16.32%0.01710%0.097CC..THydrogen-bonded Turntrans-54-37.8178.400000111.9E49 P173 P190 A191 Q193E49-A169 HydrophobicContact CB-CB 3.8Å; E49-A169 HydrophobicContact CG-CB 3.96Å; A169-P173 WeakPolarHBondContact O-CD 3.43Å; A169-P190 HydrophobicContact CB-CB 3.86Å; A169-A191 PolarHBondContact N-O 2.91Å; A169-Q193 HydrophobicContact CB-CG 3.88Å
170S97.7Very high97.2Very high1 Ų119.1 Ų19.11%0.00710%0.103CC..THydrogen-bonded Turntrans-69-30.2174.940.90000113.8I48 E49 S168 R218 E222I48-S170 VanDerWaalsContact CG2-O 3.23Å; I48-S170 WeakPolarHBondContact CG2-O 3.31Å; E49-S170 PolarHBondContact OE1-OG 3.33Å; S168-S170 PolarHBondContact O-N 2.96Å; S168-S170 VanDerWaalsContact O-N 3.15Å; S170-R218 WeakPolarHBondContact OG-CD 3.29Å; S170-R218 WeakPolarHBondContact OG-CG 3.35Å; S170-E222 WeakPolarHBondContact O-CG 3.46Å
171H97.7Very high97.2Very high10 Ų1014 Ų145%0.0468%0.075CC..THydrogen-bonded Turntrans-87.8-32-179.4-177.6-133.2000113.4T167 S168 P173 R174 A175 E222T167-H171 HydrophobicContact CG2-CB 4.17Å; T167-H171 PolarHBondContact OG1-ND1 3.39Å; S168-H171 CarbonylContact O-C 3.45Å; S168-H171 WeakPolarHBondContact O-CA 3.37Å; S168-H171 WeakPolarHBondContact O-CB 3.38Å; S168-H171 PolarHBondContact O-N 2.97Å; H171-P173 VanDerWaalsContact C-CD 3.41Å; H171-P173 VanDerWaalsContact C-N 3.34Å; H171-R174 PolarHBondContact CD2-NH2 3.27Å; H171-R174 PolarHBondContact NE2-NH1 3.29Å; H171-R174 PolarHBondContact NE2-NH2 3.13Å; H171-R174 PolarHBondContact O-N 3.09Å; H171-A175 PolarHBondContact O-N 3.2Å; H171-A175 VanDerWaalsContact O-N 3.08Å; H171-E222 IonicContact CD2-OE1 3.91Å; H171-E222 IonicContact CD2-OE2 3.57Å
172L98Very high97.1Very high0 Ų014.9 Ų14.90%08%0.075CC..Hα-helixtrans-54.1-40.5-171.2-174.662.1000113.6Y52 L165 T167 S168 R174 A175 M176 P188 P190Y52-L172 HydrophobicContact CD2-CB 4.22Å; Y52-L172 HydrophobicContact CD2-CD2 3.61Å; Y52-L172 HydrophobicContact CD2-CG 3.61Å; Y52-L172 HydrophobicContact CE2-CD2 4.39Å; Y52-L172 HydrophobicContact CE2-CG 3.94Å; Y52-L172 HydrophobicContact CG-CD2 4.04Å; Y52-L172 HydrophobicContact CG-CG 4.46Å; L165-L172 HydrophobicContact CD2-CD1 4.13Å; L165-L172 HydrophobicContact CG-CD1 4.21Å; T167-L172 VanDerWaalsContact CG2-CA 3.46Å; T167-L172 HydrophobicContact CG2-CB 3.66Å; T167-L172 HydrophobicContact CG2-CD1 3.7Å; T167-L172 HydrophobicContact CG2-CG 4.27Å; S168-L172 WeakPolarHBondContact O-CB 3.41Å; S168-L172 PolarHBondContact O-N 2.96Å; L172-R174 PolarHBondContact O-N 3.12Å; L172-R174 VanDerWaalsContact O-N 3.17Å; L172-A175 PolarHBondContact O-N 3.19Å; L172-M176 HydrophobicContact CD1-CG 3.92Å; L172-M176 HydrophobicContact CD1-SD 4.17Å; L172-M176 HydrophobicContact CG-CG 4.13Å; L172-M176 WeakPolarHBondContact O-CB 3.23Å; L172-M176 WeakPolarHBondContact O-CG 3.42Å; L172-M176 PolarHBondContact O-N 2.61Å; L172-P188 HydrophobicContact CD1-CB 4.36Å; L172-P188 HydrophobicContact CD2-CB 3.76Å; L172-P188 HydrophobicContact CG-CB 4.25Å; L172-P190 HydrophobicContact CD2-CB 3.75Å; L172-P190 HydrophobicContact CD2-CG 4.32Å
173P97.6Very high97.3Very high1 Ų113.3 Ų13.31%0.0067%0.07CC..Hα-helixtrans-61.6-23.3176.4-24.736.5000115.3I48 T51 Y52 A169 H171 I177 R226I48-P173 HydrophobicContact CG2-CG 4.28Å; T51-P173 HydrophobicContact CG2-CB 4.19Å; T51-P173 HydrophobicContact CG2-CG 3.96Å; T51-P173 WeakPolarHBondContact OG1-CG 3.21Å; Y52-P173 HydrophobicContact CD2-CG 4.39Å; Y52-P173 HydrophobicContact CE2-CB 4.41Å; Y52-P173 HydrophobicContact CE2-CG 4.24Å; A169-P173 WeakPolarHBondContact O-CD 3.43Å; H171-P173 VanDerWaalsContact C-CD 3.41Å; H171-P173 VanDerWaalsContact C-N 3.34Å; P173-I177 WeakPolarHBondContact O-CD1 3.43Å; P173-R226 PolarHBondContact O-NH2 3.05Å; P173-R226 VanDerWaalsContact O-NH2 3.07Å
174R96.7Very high97.2Very high24 Ų2413.3 Ų13.39%0.0917%0.07CC..Hα-helixtrans-90.1-40.5174.9178.8166.356.676.2-5.7111.2H171 L172 I177 F178 E222 G225 R226 Q229H171-R174 PolarHBondContact CD2-NH2 3.27Å; H171-R174 PolarHBondContact NE2-NH1 3.29Å; H171-R174 PolarHBondContact NE2-NH2 3.13Å; H171-R174 PolarHBondContact O-N 3.09Å; L172-R174 PolarHBondContact O-N 3.12Å; L172-R174 VanDerWaalsContact O-N 3.17Å; R174-I177 PolarHBondContact O-N 3.42Å; R174-F178 HydrophobicContact CG-CD2 4.44Å; R174-F178 HydrophobicContact CG-CE2 3.96Å; R174-F178 WeakPolarHBondContact O-CD2 3.44Å; R174-E222 IonicContact CZ-OE2 3.34Å; R174-E222 IonicContact NE-OE2 2.99Å; R174-E222 PolarHBondContact NE-OE2 3.37Å; R174-E222 IonicContact NH2-OE1 3.59Å; R174-E222 IonicContact NH2-OE2 2.86Å; R174-E222 PolarHBondContact NH2-OE2 2.98Å; R174-G225 VanDerWaalsContact CD-C 3.48Å; R174-R226 HydrophobicContact CB-CG 4.32Å; R174-Q229 PolarHBondContact O-NE2 3Å; R174-Q229 VanDerWaalsContact O-NE2 3.1Å
175A97.6Very high97.1Very high0 Ų019.4 Ų19.40%010%0.103CC..Hα-helixtrans-59.1-47.4175.800000111.5L67 T147 L165 T167 H171 L172 I177 F178 F179L67-A175 HydrophobicContact CD1-CB 3.79Å; T147-A175 HydrophobicContact CG2-CB 4.1Å; L165-A175 HydrophobicContact CD2-CB 4.22Å; T167-A175 HydrophobicContact CG2-CB 4.15Å; H171-A175 PolarHBondContact O-N 3.2Å; H171-A175 VanDerWaalsContact O-N 3.08Å; L172-A175 PolarHBondContact O-N 3.19Å; A175-I177 PolarHBondContact O-N 3.32Å; A175-I177 VanDerWaalsContact O-N 3.16Å; A175-F178 PolarHBondContact O-N 3.31Å; A175-F179 WeakPolarHBondContact O-CD2 3.4Å; A175-F179 PolarHBondContact O-N 2.88Å; A175-F179 VanDerWaalsContact O-N 3.09Å
176M97.9Very high97.1Very high6 Ų619.8 Ų19.83%0.0311%0.105CC..Hα-helixtrans-53-39.3178.7-72.9-66.5-59.200113Y52 L165 L172 F179 Q180 P186 P188Y52-M176 HydrophobicContact CE2-CB 4.37Å; Y52-M176 HydrophobicContact CE2-CG 3.68Å; Y52-M176 WeakPolarHBondContact OH-CB 3.26Å; Y52-M176 WeakPolarHBondContact OH-CG 3.33Å; L165-M176 HydrophobicContact CD2-SD 3.89Å; L172-M176 HydrophobicContact CD1-CG 3.92Å; L172-M176 HydrophobicContact CD1-SD 4.17Å; L172-M176 HydrophobicContact CG-CG 4.13Å; L172-M176 WeakPolarHBondContact O-CB 3.23Å; L172-M176 WeakPolarHBondContact O-CG 3.42Å; L172-M176 PolarHBondContact O-N 2.61Å; M176-F179 PolarHBondContact O-N 3.42Å; M176-Q180 WeakPolarHBondContact O-CB 3.33Å; M176-Q180 WeakPolarHBondContact O-CG 3.49Å; M176-Q180 PolarHBondContact O-N 3.13Å; M176-P186 HydrophobicContact CE-CG 3.88Å; M176-P186 HydrophobicContact SD-CB 4.25Å; M176-P186 HydrophobicContact SD-CG 3.68Å; M176-P188 HydrophobicContact CE-CB 4.4Å; M176-P188 HydrophobicContact SD-CB 3.97Å
177I96.2Very high97Very high43 Ų4321.5 Ų21.522%0.22111%0.114CC..Hα-helixtrans-63.3-44.6178.2-65.6167.9000111.3P173 R174 A175 Q180 Q181 Q229 S234P173-I177 WeakPolarHBondContact O-CD1 3.43Å; R174-I177 PolarHBondContact O-N 3.42Å; A175-I177 PolarHBondContact O-N 3.32Å; A175-I177 VanDerWaalsContact O-N 3.16Å; I177-Q180 PolarHBondContact O-N 2.61Å; I177-Q181 VanDerWaalsContact CG2-NE2 3.28Å; I177-Q181 WeakPolarHBondContact O-CB 3.25Å; I177-Q181 WeakPolarHBondContact O-CG 3.42Å; I177-Q181 PolarHBondContact O-N 2.98Å; I177-Q229 HydrophobicContact CG2-CG 4.45Å; I177-S234 WeakPolarHBondContact CG2-O 3.44Å
178F95.9Very high97Very high17 Ų1723 Ų238%0.07512%0.124CC..Hα-helixtrans-63.4-43.3177.5-72.4-58.6000111.8T147 E148 R174 A175 Q181 E182 Q229T147-F178 HydrophobicContact CG2-CB 4.26Å; T147-F178 HydrophobicContact CG2-CD2 3.71Å; T147-F178 HydrophobicContact CG2-CG 4.35Å; E148-F178 HydrophobicContact CB-CD1 3.95Å; E148-F178 HydrophobicContact CB-CE1 4.13Å; E148-F178 HydrophobicContact CG-CD1 4.29Å; R174-F178 HydrophobicContact CG-CD2 4.44Å; R174-F178 HydrophobicContact CG-CE2 3.96Å; R174-F178 WeakPolarHBondContact O-CD2 3.44Å; A175-F178 PolarHBondContact O-N 3.31Å; F178-Q181 PolarHBondContact O-N 3.03Å; F178-E182 PolarHBondContact O-N 2.76Å; F178-Q229 HydrophobicContact CE1-CG 3.85Å; F178-Q229 HydrophobicContact CE2-CG 4.37Å; F178-Q229 HydrophobicContact CZ-CB 4.11Å; F178-Q229 HydrophobicContact CZ-CG 3.72Å; F178-Q229 VanDerWaalsContact CZ-NE2 3.26Å
179F97.3Very high97.1Very high0 Ų023 Ų230%012%0.124CC..Hα-helixtrans-64.7-42.4177.9-83.4-97.7000112.4V65 L67 T147 A151 V154 F163 L165 A175 M176 Q181 E182 L184 P186V65-F179 HydrophobicContact CG1-CZ 4.42Å; L67-F179 HydrophobicContact CD1-CE2 4.08Å; L67-F179 HydrophobicContact CD2-CE2 4.08Å; L67-F179 HydrophobicContact CD2-CZ 3.92Å; T147-F179 HydrophobicContact CG2-CE2 4.27Å; A151-F179 HydrophobicContact CB-CD1 4.09Å; A151-F179 HydrophobicContact CB-CD2 3.97Å; A151-F179 HydrophobicContact CB-CE1 4.28Å; A151-F179 HydrophobicContact CB-CE2 4.14Å; A151-F179 HydrophobicContact CB-CG 3.96Å; A151-F179 HydrophobicContact CB-CZ 4.3Å; V154-F179 HydrophobicContact CB-CE1 3.97Å; V154-F179 HydrophobicContact CG1-CE1 4.05Å; V154-F179 HydrophobicContact CG2-CE1 4.04Å; V154-F179 HydrophobicContact CG2-CZ 4.28Å; F163-F179 HydrophobicContact CE2-CD1 4.12Å; F163-F179 AromaticContact CE2-CE1 3.93Å; F163-F179 HydrophobicContact CE2-CE1 3.93Å; F163-F179 AromaticContact CZ-CD1 3.63Å; F163-F179 HydrophobicContact CZ-CD1 3.63Å; F163-F179 AromaticContact CZ-CE1 3.8Å; F163-F179 HydrophobicContact CZ-CE1 3.8Å; L165-F179 HydrophobicContact CD1-CD2 4.32Å; L165-F179 HydrophobicContact CD1-CE1 4.01Å; L165-F179 HydrophobicContact CD1-CE2 3.78Å; L165-F179 HydrophobicContact CD1-CZ 3.59Å; L165-F179 HydrophobicContact CD2-CD1 4.46Å; L165-F179 HydrophobicContact CD2-CD2 3.69Å; L165-F179 HydrophobicContact CD2-CE2 3.96Å; L165-F179 HydrophobicContact CD2-CG 3.96Å; L165-F179 HydrophobicContact CD2-CZ 4.44Å; A175-F179 WeakPolarHBondContact O-CD2 3.4Å; A175-F179 PolarHBondContact O-N 2.88Å; A175-F179 VanDerWaalsContact O-N 3.09Å; M176-F179 PolarHBondContact O-N 3.42Å; F179-Q181 VanDerWaalsContact C-N 3.32Å; F179-Q181 PolarHBondContact O-N 2.97Å; F179-E182 PolarHBondContact O-N 2.98Å; F179-L184 HydrophobicContact CB-CB 4.47Å; F179-L184 HydrophobicContact CD1-CB 4.45Å; F179-L184 HydrophobicContact CD1-CD1 3.61Å; F179-L184 HydrophobicContact CE1-CD1 4.14Å; F179-L184 WeakPolarHBondContact O-CB 3.5Å; F179-L184 PolarHBondContact O-N 2.96Å; F179-P186 HydrophobicContact CB-CG 3.8Å; F179-P186 HydrophobicContact CD1-CG 4.39Å; F179-P186 HydrophobicContact CG-CG 4.27Å
180Q96.7Very high97.1Very high87 Ų8723 Ų2341%0.40712%0.124SC..Hα-helixtrans-65.4-33.7176.8-73.5170.9-23.900113M176 I177 E182 G183 L184M176-Q180 WeakPolarHBondContact O-CB 3.33Å; M176-Q180 WeakPolarHBondContact O-CG 3.49Å; M176-Q180 PolarHBondContact O-N 3.13Å; I177-Q180 PolarHBondContact O-N 2.61Å; Q180-E182 VanDerWaalsContact C-N 3.28Å; Q180-E182 PolarHBondContact O-N 2.73Å; Q180-G183 PolarHBondContact O-N 3.19Å; Q180-L184 WeakPolarHBondContact CA-O 3.3Å
181Q93.7Very high97.1Very high14 Ų1423 Ų237%0.06512%0.124CC..Hα-helixtrans-67-31.3175.4-821636.900113.6I177 F178 F179 G183 S234 R239I177-Q181 VanDerWaalsContact CG2-NE2 3.28Å; I177-Q181 WeakPolarHBondContact O-CB 3.25Å; I177-Q181 WeakPolarHBondContact O-CG 3.42Å; I177-Q181 PolarHBondContact O-N 2.98Å; F178-Q181 PolarHBondContact O-N 3.03Å; F179-Q181 VanDerWaalsContact C-N 3.32Å; F179-Q181 PolarHBondContact O-N 2.97Å; Q181-G183 PolarHBondContact O-N 3.25Å; Q181-S234 VanDerWaalsContact NE2-CA 3.31Å; Q181-S234 PolarHBondContact NE2-O 3.27Å; Q181-S234 PolarHBondContact OE1-OG 2.8Å; Q181-R239 PolarHBondContact O-N 3.02Å
182E95.5Very high97Very high44 Ų4423.7 Ų23.721%0.20613%0.128CC..THydrogen-bonded Turntrans-81.612.2173-150.466-176.600112.5A151 A152 K155 F178 F179 Q180 L184 R239A151-E182 HydrophobicContact CB-CB 4.06Å; A151-E182 HydrophobicContact CB-CG 4.45Å; A152-E182 HydrophobicContact CB-CG 4.29Å; A152-E182 WeakPolarHBondContact CB-OE1 3.42Å; K155-E182 HydrophobicContact CB-CG 4.18Å; F178-E182 PolarHBondContact O-N 2.76Å; F179-E182 PolarHBondContact O-N 2.98Å; Q180-E182 VanDerWaalsContact C-N 3.28Å; Q180-E182 PolarHBondContact O-N 2.73Å; E182-L184 VanDerWaalsContact C-N 3.27Å; E182-L184 PolarHBondContact O-N 2.72Å; E182-R239 IonicContact OE1-NH1 3.97Å; E182-R239 IonicContact OE2-CZ 3.81Å; E182-R239 IonicContact OE2-NH1 2.8Å; E182-R239 PolarHBondContact OE2-NH1 3.3Å
183G96.3Very high96.9Very high29 Ų2927.9 Ų27.930%0.29915%0.148SC..THydrogen-bonded Turntrans74.410.9177.900000114.7Q180 Q181Q180-G183 PolarHBondContact O-N 3.19Å; Q181-G183 PolarHBondContact O-N 3.25Å
184L97.1Very high96.9Very high2 Ų229 Ų291%0.0115%0.153CC..  trans-88150.9176.7-64.5170.2000111.6V154 K155 G159 F163 F179 Q180 E182 P186V154-L184 HydrophobicContact CB-CD1 4.34Å; V154-L184 HydrophobicContact CG1-CD1 4.05Å; K155-L184 HydrophobicContact CB-CD1 3.97Å; K155-L184 HydrophobicContact CB-CD2 4.15Å; K155-L184 HydrophobicContact CB-CG 4.14Å; K155-L184 HydrophobicContact CD-CD2 3.49Å; K155-L184 VanDerWaalsContact CD-CD2 3.49Å; K155-L184 HydrophobicContact CD-CG 3.96Å; K155-L184 HydrophobicContact CG-CD2 4.42Å; G159-L184 VanDerWaalsContact O-CD2 3.23Å; G159-L184 WeakPolarHBondContact O-CD2 3.42Å; F163-L184 HydrophobicContact CE1-CB 4.23Å; F163-L184 HydrophobicContact CE1-CD1 4.31Å; F163-L184 HydrophobicContact CE1-CD2 4.21Å; F163-L184 HydrophobicContact CZ-CB 4.42Å; F163-L184 HydrophobicContact CZ-CD1 4.15Å; F179-L184 HydrophobicContact CB-CB 4.47Å; F179-L184 HydrophobicContact CD1-CB 4.45Å; F179-L184 HydrophobicContact CD1-CD1 3.61Å; F179-L184 HydrophobicContact CE1-CD1 4.14Å; F179-L184 WeakPolarHBondContact O-CB 3.5Å; F179-L184 PolarHBondContact O-N 2.96Å; Q180-L184 WeakPolarHBondContact CA-O 3.3Å; E182-L184 VanDerWaalsContact C-N 3.27Å; E182-L184 PolarHBondContact O-N 2.72Å; L184-P186 WeakPolarHBondContact O-CD 3.23Å
185N96.5Very high96.8Very high128 Ų12828.6 Ų28.668%0.68416%0.156SC*.  trans-123.465.9175.7-66.5-68.3000111.6
186P97.6Very high96.7Very high8 Ų830.9 Ų30.95%0.05217%0.167CC..  trans-60.6151.4178.619.6-28.7000113.1F163 L165 M176 F179 L184 P188F163-P186 HydrophobicContact CD2-CB 4.23Å; F163-P186 HydrophobicContact CE1-CB 4.03Å; F163-P186 HydrophobicContact CE2-CB 3.65Å; F163-P186 HydrophobicContact CE2-CG 4.46Å; F163-P186 HydrophobicContact CZ-CB 3.54Å; F163-P186 HydrophobicContact CZ-CG 4.04Å; L165-P186 HydrophobicContact CB-CB 3.59Å; L165-P186 HydrophobicContact CB-CG 4.3Å; L165-P186 HydrophobicContact CD2-CB 4.28Å; L165-P186 HydrophobicContact CD2-CG 4.07Å; M176-P186 HydrophobicContact CE-CG 3.88Å; M176-P186 HydrophobicContact SD-CB 4.25Å; M176-P186 HydrophobicContact SD-CG 3.68Å; F179-P186 HydrophobicContact CB-CG 3.8Å; F179-P186 HydrophobicContact CD1-CG 4.39Å; F179-P186 HydrophobicContact CG-CG 4.27Å; L184-P186 WeakPolarHBondContact O-CD 3.23Å; P186-P188 WeakPolarHBondContact O-CD 3.5Å
187L97.9Very high96.1Very high36 Ų3635.8 Ų35.819%0.18819%0.194CC..EExtended strand (participates in β ladder)trans-84.3115.6165.9-61.7172.5000108.4W55 Q59 V61 F163 L164 L165 A189W55-L187 HydrophobicContact CE3-CB 4.45Å; W55-L187 HydrophobicContact CH2-CB 3.99Å; W55-L187 HydrophobicContact CH2-CD1 3.65Å; W55-L187 HydrophobicContact CH2-CD2 4.37Å; W55-L187 HydrophobicContact CH2-CG 4.21Å; W55-L187 HydrophobicContact CZ2-CD1 4.38Å; W55-L187 HydrophobicContact CZ3-CB 3.71Å; W55-L187 HydrophobicContact CZ3-CD1 4.24Å; W55-L187 HydrophobicContact CZ3-CD2 4.34Å; W55-L187 HydrophobicContact CZ3-CG 4.31Å; Q59-L187 HydrophobicContact CG-CD1 4.41Å; V61-L187 HydrophobicContact CG1-CD1 3.58Å; F163-L187 PolarHBondContact O-N 2.84Å; L164-L187 WeakPolarHBondContact CA-O 3.49Å; L164-L187 HydrophobicContact CD2-CB 3.65Å; L164-L187 HydrophobicContact CD2-CD1 4.45Å; L164-L187 HydrophobicContact CG-CB 4.5Å; L165-L187 PolarHBondContact N-O 3.27Å; L187-A189 PolarHBondContact O-N 3.38Å
188P98.1Very high95.7Very high30 Ų3037.5 Ų37.520%0.19521%0.21CC..EExtended strand (participates in β ladder)trans-68.7123.8-175.325.8-32.7000110.9Y52 L172 M176 P186Y52-P188 HydrophobicContact CD1-CB 3.57Å; Y52-P188 HydrophobicContact CD1-CG 3.4Å; Y52-P188 HydrophobicContact CD2-CB 4.09Å; Y52-P188 HydrophobicContact CE1-CB 3.97Å; Y52-P188 HydrophobicContact CE1-CG 3.79Å; Y52-P188 HydrophobicContact CE2-CB 4.42Å; Y52-P188 HydrophobicContact CG-CB 3.63Å; Y52-P188 HydrophobicContact CG-CG 3.97Å; L172-P188 HydrophobicContact CD1-CB 4.36Å; L172-P188 HydrophobicContact CD2-CB 3.76Å; L172-P188 HydrophobicContact CG-CB 4.25Å; M176-P188 HydrophobicContact CE-CB 4.4Å; M176-P188 HydrophobicContact SD-CB 3.97Å; P186-P188 WeakPolarHBondContact O-CD 3.5Å
189A98.3Very high95.6Very high0 Ų043 Ų430%025%0.247CC..EExtended strand (participates in β ladder)trans-122.589.2177.200000110.2W55 L97 L164 L165 V166 L187 A191W55-A189 HydrophobicContact CB-CB 4.18Å; L97-A189 HydrophobicContact CD1-CB 3.85Å; L164-A189 HydrophobicContact CB-CB 4.29Å; L164-A189 HydrophobicContact CD2-CB 4.12Å; L165-A189 PolarHBondContact O-N 3.46Å; V166-A189 WeakPolarHBondContact CA-O 3.44Å; V166-A189 HydrophobicContact CG2-CB 3.85Å; L187-A189 PolarHBondContact O-N 3.38Å; A189-A191 PolarHBondContact O-N 2.87Å
190P98.1Very high95.4Very high2 Ų245.1 Ų45.11%0.01326%0.258CS..EExtended strand (participates in β ladder)trans-71.4126.2-176.929.3-34.2000111.3P53 A169 L172 Q193P53-P190 WeakPolarHBondContact O-CD 3.37Å; P53-P190 VanDerWaalsContact O-CG 3.26Å; P53-P190 WeakPolarHBondContact O-CG 3.49Å; A169-P190 HydrophobicContact CB-CB 3.86Å; L172-P190 HydrophobicContact CD2-CB 3.75Å; L172-P190 HydrophobicContact CD2-CG 4.32Å; P190-Q193 PolarHBondContact O-NE2 3.38Å
191A97.9Very high95.3Very high3 Ų344.5 Ų44.53%0.02526%0.257CS..EExtended strand (participates in β ladder)trans-107.9174168.900000110.3R90 E93 V166 T167 S168 A169 A189 Q193R90-A191 HydrophobicContact CB-CB 4.47Å; R90-A191 HydrophobicContact CG-CB 4.15Å; E93-A191 HydrophobicContact CB-CB 3.67Å; E93-A191 HydrophobicContact CG-CB 3.9Å; V166-A191 HydrophobicContact CG1-CB 4.06Å; T167-A191 PolarHBondContact O-N 3.25Å; S168-A191 CarbonylContact C-O 3.53Å; S168-A191 WeakPolarHBondContact CA-O 3.25Å; A169-A191 PolarHBondContact N-O 2.91Å; A189-A191 PolarHBondContact O-N 2.87Å; A191-Q193 PolarHBondContact O-N 2.8Å
192N96.9Very high95.3Very high24 Ų2448.5 Ų48.513%0.12829%0.285CS..  trans52.947.1167.6-166.672.8000114.3N86 P89 S168 L194N86-N192 PolarHBondContact OD1-ND2 3.24Å; P89-N192 HydrophobicContact CB-CB 3.85Å; P89-N192 WeakPolarHBondContact CB-OD1 3.34Å; P89-N192 WeakPolarHBondContact CG-OD1 3.22Å; S168-N192 PolarHBondContact OG-ND2 3.24Å; N192-L194 PolarHBondContact O-N 2.92Å
193Q95.8Very high95.3Very high88 Ų8853.5 Ų53.541%0.41130%0.302SS..  trans-63.7123.1169.2-67.876.4-1.500108.4A169 P190 A191A169-Q193 HydrophobicContact CB-CG 3.88Å; P190-Q193 PolarHBondContact O-NE2 3.38Å; A191-Q193 PolarHBondContact O-N 2.8Å
194L96.3Very high95.1Very high23 Ų2355.7 Ų55.712%0.1230%0.304CS..  trans-103.1-39.2-176.6-65.4178.6000111.5L45 E49 N192 I196 M214 H215 R218L45-L194 HydrophobicContact CD2-CB 3.65Å; L45-L194 HydrophobicContact CD2-CD1 4.18Å; E49-L194 PolarHBondContact OE1-N 2.94Å; E49-L194 PolarHBondContact OE2-N 3.41Å; N192-L194 PolarHBondContact O-N 2.92Å; L194-I196 VanDerWaalsContact O-CG1 3.3Å; L194-I196 WeakPolarHBondContact O-CG1 3.47Å; L194-I196 PolarHBondContact O-N 2.9Å; L194-M214 HydrophobicContact CD2-CE 4.32Å; L194-H215 PolarHBondContact O-CE1 2.8Å; L194-R218 HydrophobicContact CD1-CG 4.32Å
195A96.5Very high94.9Very high17 Ų1761.4 Ų61.414%0.1433%0.326CS..SBendtrans-62120.7179.300000110.2D42 R46 E49D42-A195 HydrophobicContact CB-CB 4.19Å; R46-A195 HydrophobicContact CB-CB 4.1Å; E49-A195 WeakPolarHBondContact OE2-CB 3.34Å; E49-A195 PolarHBondContact OE2-N 2.94Å
196I94.2Very high94.8Very high48 Ų4858.6 Ų58.625%0.24632%0.32CS..  trans-94.4113.3-175.1-54.5-169.2000109.8Q38 D42 L194 S198 L200 W212Q38-I196 PolarHBondContact NE2-O 3.39Å; D42-I196 PolarHBondContact OD2-N 2.92Å; L194-I196 VanDerWaalsContact O-CG1 3.3Å; L194-I196 WeakPolarHBondContact O-CG1 3.47Å; L194-I196 PolarHBondContact O-N 2.9Å; I196-S198 VanDerWaalsContact CG2-OG 3.3Å; I196-S198 WeakPolarHBondContact CG2-OG 3.41Å; I196-L200 HydrophobicContact CB-CD1 4.33Å; I196-L200 HydrophobicContact CD1-CD1 4.34Å; I196-L200 HydrophobicContact CD1-CD2 4.45Å; I196-L200 HydrophobicContact CG2-CD1 4Å; I196-L200 HydrophobicContact CG2-CD2 4.12Å; I196-L200 HydrophobicContact CG2-CG 3.95Å; I196-W212 HydrophobicContact CD1-CH2 3.75Å; I196-W212 HydrophobicContact CD1-CZ3 3.83Å; I196-W212 HydrophobicContact CG1-CZ3 4.31Å
197D84.8Confident94.7Very high109 Ų10963 Ų6358%0.58334%0.342SS*.  trans-100.1-14.2176.3-68.917.6000111.9R46R46-D197 IonicContact CZ-OD1 3.52Å; R46-D197 IonicContact CZ-OD2 2.81Å; R46-D197 VanDerWaalsContact NE-CG 3.28Å; R46-D197 IonicContact NE-OD1 3.57Å; R46-D197 PolarHBondContact NE-OD1 3.37Å; R46-D197 IonicContact NE-OD2 3.21Å; R46-D197 PolarHBondContact NE-OD2 3.04Å; R46-D197 VanDerWaalsContact NE-OD2 3.13Å; R46-D197 VanDerWaalsContact NH2-CG 3.28Å; R46-D197 IonicContact NH2-OD1 2.68Å; R46-D197 PolarHBondContact NH2-OD1 3.41Å; R46-D197 IonicContact NH2-OD2 3.46Å
198S89.7Confident94.7Very high79 Ų7964.3 Ų64.355%0.55235%0.353SS*.SBendtrans-74.7155.9177.154.20000111.9I196 L200I196-S198 VanDerWaalsContact CG2-OG 3.3Å; I196-S198 WeakPolarHBondContact CG2-OG 3.41Å; S198-L200 PolarHBondContact O-N 3.47Å
199P92.4Very high94.6Very high132 Ų13264.3 Ų64.386%0.85735%0.353SS*.  trans-55.3127.1173.6-25.835.2000111.7
200L92.7Very high94.5Very high45 Ų4569.2 Ų69.224%0.23639%0.385CS..  trans-112159.9166.9-67.8175.6000108.8Q38 I196 S198 E204 R205 W212Q38-L200 HydrophobicContact CG-CD1 4Å; I196-L200 HydrophobicContact CB-CD1 4.33Å; I196-L200 HydrophobicContact CD1-CD1 4.34Å; I196-L200 HydrophobicContact CD1-CD2 4.45Å; I196-L200 HydrophobicContact CG2-CD1 4Å; I196-L200 HydrophobicContact CG2-CD2 4.12Å; I196-L200 HydrophobicContact CG2-CG 3.95Å; S198-L200 PolarHBondContact O-N 3.47Å; L200-E204 HydrophobicContact CB-CB 4.32Å; L200-R205 HydrophobicContact CB-CG 3.92Å; L200-R205 HydrophobicContact CD1-CG 4.17Å; L200-W212 HydrophobicContact CD1-CH2 3.89Å; L200-W212 HydrophobicContact CD1-CZ2 4.15Å
201N95.4Very high94.3Very high73 Ų7372.4 Ų72.439%0.3940%0.404SS..  trans-62.6143.5169.3-60.5-68.8000109.9W203 E204 R205N201-W203 HydrophobicContact CB-CD2 3.64Å; N201-W203 HydrophobicContact CB-CE3 3.92Å; N201-W203 HydrophobicContact CB-CG 4.34Å; N201-W203 HydrophobicContact CB-CH2 3.57Å; N201-W203 HydrophobicContact CB-CZ2 3.26Å; N201-W203 HydrophobicContact CB-CZ3 3.89Å; N201-W203 PolarHBondContact O-N 2.91Å; N201-W203 VanDerWaalsContact O-N 3.11Å; N201-W203 WeakPolarHBondContact OD1-CH2 3.27Å; N201-E204 HydrophobicContact CB-CG 4.13Å; N201-E204 VanDerWaalsContact CB-OE2 3.25Å; N201-E204 WeakPolarHBondContact CB-OE2 3.19Å; N201-E204 PolarHBondContact N-OE2 2.92Å; N201-E204 PolarHBondContact ND2-OE2 3.41Å; N201-E204 WeakPolarHBondContact O-CB 3.4Å; N201-E204 PolarHBondContact O-N 2.78Å; N201-R205 PolarHBondContact O-N 3.37Å
202P94.4Very high94.3Very high99 Ų9973.2 Ų73.264%0.64341%0.407SS*.Hα-helixtrans-54.9-35.3-176.9-28.835.6000114.3R205 A206P202-R205 PolarHBondContact O-N 3.31Å; P202-A206 PolarHBondContact O-N 3.06Å
203W94.1Very high94.3Very high148 Ų14874.9 Ų74.956%0.56142%0.416SS*.Hα-helixtrans-70.2-31.7178.257.885000113.1N201 R205 A206 I207N201-W203 HydrophobicContact CB-CD2 3.64Å; N201-W203 HydrophobicContact CB-CE3 3.92Å; N201-W203 HydrophobicContact CB-CG 4.34Å; N201-W203 HydrophobicContact CB-CH2 3.57Å; N201-W203 HydrophobicContact CB-CZ2 3.26Å; N201-W203 HydrophobicContact CB-CZ3 3.89Å; N201-W203 PolarHBondContact O-N 2.91Å; N201-W203 VanDerWaalsContact O-N 3.11Å; N201-W203 WeakPolarHBondContact OD1-CH2 3.27Å; W203-R205 PolarHBondContact O-N 2.88Å; W203-A206 PolarHBondContact O-N 2.77Å; W203-I207 HydrophobicContact CB-CD1 3.99Å; W203-I207 VanDerWaalsContact O-CB 3.3Å; W203-I207 WeakPolarHBondContact O-CB 3.26Å; W203-I207 WeakPolarHBondContact O-CG1 3.38Å; W203-I207 PolarHBondContact O-N 2.81Å
204E93.1Very high94.3Very high75 Ų7573.9 Ų73.935%0.3541%0.412SS..Hα-helixtrans-64.4-31.4176.1-65.7173127.400111.3L200 N201 W212L200-E204 HydrophobicContact CB-CB 4.32Å; N201-E204 HydrophobicContact CB-CG 4.13Å; N201-E204 VanDerWaalsContact CB-OE2 3.25Å; N201-E204 WeakPolarHBondContact CB-OE2 3.19Å; N201-E204 PolarHBondContact N-OE2 2.92Å; N201-E204 PolarHBondContact ND2-OE2 3.41Å; N201-E204 WeakPolarHBondContact O-CB 3.4Å; N201-E204 PolarHBondContact O-N 2.78Å; E204-W212 PolarHBondContact O-NE1 2.97Å
205R93.4Very high94.3Very high123 Ų12373 Ų7346%0.46441%0.407SS..Hα-helixtrans-79.3-29.3177.2-57.9-17967.5-163.7-1.5113.2Q38 P39 L200 N201 P202 W203Q38-R205 HydrophobicContact CB-CB 4.41Å; P39-R205 VanDerWaalsContact CD-O 3.25Å; P39-R205 WeakPolarHBondContact CD-O 3.4Å; L200-R205 HydrophobicContact CB-CG 3.92Å; L200-R205 HydrophobicContact CD1-CG 4.17Å; N201-R205 PolarHBondContact O-N 3.37Å; P202-R205 PolarHBondContact O-N 3.31Å; W203-R205 PolarHBondContact O-N 2.88Å
206A93.8Very high94.4Very high68 Ų6872.8 Ų72.856%0.56241%0.405SS*.Hα-helixtrans-98.8-20.8-173.200000114.2L37 P202 W203 P208L37-A206 WeakPolarHBondContact CD2-O 3.31Å; P202-A206 PolarHBondContact O-N 3.06Å; W203-A206 PolarHBondContact O-N 2.77Å; A206-P208 WeakPolarHBondContact O-CD 3.38Å
207I95.8Very high94.5Very high101 Ų10175.7 Ų75.752%0.51842%0.42SS..SBendtrans-84.7123.5177.1-66.5169.6000109.1W203 S209W203-I207 HydrophobicContact CB-CD1 3.99Å; W203-I207 VanDerWaalsContact O-CB 3.3Å; W203-I207 WeakPolarHBondContact O-CB 3.26Å; W203-I207 WeakPolarHBondContact O-CG1 3.38Å; W203-I207 PolarHBondContact O-N 2.81Å; I207-S209 PolarHBondContact O-N 3.21Å
208P96.4Very high95.1Very high63 Ų6371.6 Ų71.641%0.40940%0.397SS..  trans-58.7130.4174.3-25.436.3000111.6L33 S36 L37 A206L33-P208 HydrophobicContact CD1-CB 4.23Å; L33-P208 HydrophobicContact CD1-CG 3.32Å; S36-P208 CarbonylContact O-C 3.49Å; S36-P208 WeakPolarHBondContact O-CA 3.4Å; L37-P208 HydrophobicContact CD2-CG 4.04Å; A206-P208 WeakPolarHBondContact O-CD 3.38Å
209S96.2Very high95.4Very high30 Ų3068.9 Ų68.921%0.2138%0.377CS..  trans-135.4144.1-175.4176.40000112.3S36 I207 V211 W212 L213S36-S209 PolarHBondContact O-N 3.47Å; I207-S209 PolarHBondContact O-N 3.21Å; S209-V211 PolarHBondContact O-N 3.04Å; S209-V211 PolarHBondContact OG-N 3.42Å; S209-V211 VanDerWaalsContact OG-N 3.16Å; S209-W212 VanDerWaalsContact CB-CD1 3.47Å; S209-W212 PolarHBondContact O-N 3.46Å; S209-L213 PolarHBondContact O-N 2.94Å; S209-L213 VanDerWaalsContact O-N 3.1Å
210P96Very high95.7Very high104 Ų10464.1 Ų64.168%0.67535%0.352SS*.Hα-helixtrans-59.7-24.1170.125.6-34.8000113L213 M214P210-L213 PolarHBondContact O-N 3.28Å; P210-M214 WeakPolarHBondContact O-CB 3.38Å; P210-M214 PolarHBondContact O-N 3.48Å
211V95Very high95.8Very high68 Ų6868.4 Ų68.441%0.41237%0.366SS..Hα-helixtrans-64.9-49.7175.3177.90000110.7S209 L213 M214 H215S209-V211 PolarHBondContact O-N 3.04Å; S209-V211 PolarHBondContact OG-N 3.42Å; S209-V211 VanDerWaalsContact OG-N 3.16Å; V211-L213 VanDerWaalsContact C-N 3.3Å; V211-L213 PolarHBondContact O-N 2.97Å; V211-M214 WeakPolarHBondContact O-CB 3.3Å; V211-M214 PolarHBondContact O-N 2.84Å; V211-M214 VanDerWaalsContact O-N 3.14Å; V211-H215 PolarHBondContact O-CD2 3.32Å; V211-H215 PolarHBondContact O-N 2.89Å; V211-H215 VanDerWaalsContact O-N 3.16Å
212W96.9Very high95.9Very high20 Ų2065 Ų658%0.07635%0.348CS..Hα-helixtrans-66.5-35.8177.5-48.2140.6000111.4L35 S36 Q38 A41 I196 L200 E204 S209 M214 H215 S216L35-W212 CarbonylContact O-C 3.56Å; S36-W212 WeakPolarHBondContact O-CB 3.35Å; Q38-W212 HydrophobicContact CB-CD2 3.67Å; Q38-W212 HydrophobicContact CB-CE3 4.12Å; Q38-W212 HydrophobicContact CB-CG 4Å; Q38-W212 HydrophobicContact CB-CH2 4.46Å; Q38-W212 HydrophobicContact CB-CZ2 4.02Å; Q38-W212 HydrophobicContact CB-CZ3 4.48Å; Q38-W212 HydrophobicContact CG-CD2 4Å; Q38-W212 HydrophobicContact CG-CE3 3.93Å; Q38-W212 HydrophobicContact CG-CH2 3.94Å; Q38-W212 HydrophobicContact CG-CZ2 3.97Å; Q38-W212 HydrophobicContact CG-CZ3 3.9Å; Q38-W212 VanDerWaalsContact N-CD1 3.34Å; A41-W212 HydrophobicContact CB-CB 4Å; A41-W212 WeakPolarHBondContact CB-O 3.32Å; I196-W212 HydrophobicContact CD1-CH2 3.75Å; I196-W212 HydrophobicContact CD1-CZ3 3.83Å; I196-W212 HydrophobicContact CG1-CZ3 4.31Å; L200-W212 HydrophobicContact CD1-CH2 3.89Å; L200-W212 HydrophobicContact CD1-CZ2 4.15Å; E204-W212 PolarHBondContact O-NE1 2.97Å; S209-W212 VanDerWaalsContact CB-CD1 3.47Å; S209-W212 PolarHBondContact O-N 3.46Å; W212-M214 VanDerWaalsContact C-N 3.3Å; W212-M214 PolarHBondContact O-N 3.26Å; W212-H215 AromaticContact CE3-CE1 3.76Å; W212-H215 AromaticContact CE3-ND1 3.84Å; W212-H215 AromaticContact CZ3-CE1 3.69Å; W212-H215 WeakPolarHBondContact O-CB 3.36Å; W212-H215 PolarHBondContact O-N 3.03Å; W212-H215 VanDerWaalsContact O-N 3.13Å; W212-S216 PolarHBondContact O-N 2.92Å
213L97.2Very high96Very high59 Ų5963.4 Ų63.431%0.30934%0.336SS..Hα-helixtrans-62.3-38.4173.4-17360.8000112L32 L35 S209 P210 V211 H215 S216 D217L32-L213 HydrophobicContact CD1-CD1 4.13Å; L32-L213 HydrophobicContact CD1-CD2 3.85Å; L35-L213 HydrophobicContact CB-CD1 3.99Å; L35-L213 WeakPolarHBondContact O-CA 3.48Å; S209-L213 PolarHBondContact O-N 2.94Å; S209-L213 VanDerWaalsContact O-N 3.1Å; P210-L213 PolarHBondContact O-N 3.28Å; V211-L213 VanDerWaalsContact C-N 3.3Å; V211-L213 PolarHBondContact O-N 2.97Å; L213-H215 VanDerWaalsContact C-N 3.31Å; L213-H215 PolarHBondContact O-N 3.26Å; L213-S216 WeakPolarHBondContact O-CB 3.44Å; L213-S216 PolarHBondContact O-N 3.39Å; L213-D217 WeakPolarHBondContact O-CB 3.42Å; L213-D217 PolarHBondContact O-N 2.81Å
214M96.2Very high96.1Very high67 Ų6762.2 Ų62.233%0.3334%0.34SS..Hα-helixtrans-63.1-35.1173.5-179.6-17071.800112.2L194 P210 V211 W212 D217 R218L194-M214 HydrophobicContact CD2-CE 4.32Å; P210-M214 WeakPolarHBondContact O-CB 3.38Å; P210-M214 PolarHBondContact O-N 3.48Å; V211-M214 WeakPolarHBondContact O-CB 3.3Å; V211-M214 PolarHBondContact O-N 2.84Å; V211-M214 VanDerWaalsContact O-N 3.14Å; W212-M214 VanDerWaalsContact C-N 3.3Å; W212-M214 PolarHBondContact O-N 3.26Å; M214-D217 PolarHBondContact O-N 2.8Å; M214-R218 WeakPolarHBondContact O-CB 3.2Å; M214-R218 PolarHBondContact O-N 3.41Å
215H97.2Very high96.2Very high6 Ų659.5 Ų59.53%0.02833%0.332CS..Hα-helixtrans-66.5-44.8175-65.3-168.5000110.7A41 D42 L45 L194 V211 W212 L213 D217 R218 V219A41-H215 HydrophobicContact CB-CB 4.02Å; D42-H215 IonicContact OD1-CE1 3.73Å; D42-H215 IonicContact OD1-CG 3.26Å; D42-H215 IonicContact OD1-ND1 3.65Å; D42-H215 PolarHBondContact OD1-ND1 3.36Å; L45-H215 HydrophobicContact CD2-CB 3.81Å; L194-H215 PolarHBondContact O-CE1 2.8Å; V211-H215 PolarHBondContact O-CD2 3.32Å; V211-H215 PolarHBondContact O-N 2.89Å; V211-H215 VanDerWaalsContact O-N 3.16Å; W212-H215 AromaticContact CE3-CE1 3.76Å; W212-H215 AromaticContact CE3-ND1 3.84Å; W212-H215 AromaticContact CZ3-CE1 3.69Å; W212-H215 WeakPolarHBondContact O-CB 3.36Å; W212-H215 PolarHBondContact O-N 3.03Å; W212-H215 VanDerWaalsContact O-N 3.13Å; L213-H215 VanDerWaalsContact C-N 3.31Å; L213-H215 PolarHBondContact O-N 3.26Å; H215-D217 VanDerWaalsContact C-N 3.34Å; H215-D217 PolarHBondContact O-N 2.88Å; H215-R218 WeakPolarHBondContact O-CB 3.45Å; H215-R218 PolarHBondContact O-N 2.87Å; H215-V219 PolarHBondContact O-N 2.92Å
216S97.6Very high96.2Very high12 Ų1258.6 Ų58.68%0.08433%0.329CS..Hα-helixtrans-61.2-41173.3-66.60000112.5L35 A41 W212 L213 R218 V219 G220L35-S216 PolarHBondContact O-OG 2.68Å; A41-S216 WeakPolarHBondContact CA-OG 3.28Å; A41-S216 WeakPolarHBondContact CB-OG 3.4Å; W212-S216 PolarHBondContact O-N 2.92Å; L213-S216 WeakPolarHBondContact O-CB 3.44Å; L213-S216 PolarHBondContact O-N 3.39Å; S216-R218 VanDerWaalsContact C-N 3.34Å; S216-V219 WeakPolarHBondContact O-CB 3.49Å; S216-V219 PolarHBondContact O-N 2.92Å; S216-G220 PolarHBondContact O-N 2.79Å
217D96.4Very high96.3Very high108 Ų10859.4 Ų59.458%0.57832%0.323SS*.Hα-helixtrans-61.6-42.1174.9-177.270.9000111.5L213 M214 H215 V219 G220 Y221L213-D217 WeakPolarHBondContact O-CB 3.42Å; L213-D217 PolarHBondContact O-N 2.81Å; M214-D217 PolarHBondContact O-N 2.8Å; H215-D217 VanDerWaalsContact C-N 3.34Å; H215-D217 PolarHBondContact O-N 2.88Å; D217-V219 VanDerWaalsContact C-N 3.3Å; D217-V219 PolarHBondContact O-N 3.23Å; D217-G220 PolarHBondContact O-N 3.42Å; D217-G220 VanDerWaalsContact O-N 3.09Å; D217-Y221 PolarHBondContact O-N 2.94Å
218R96.8Very high96.1Very high23 Ų2362.2 Ų62.29%0.08733%0.327CS..Hα-helixtrans-57.7-41.1175-179.55756.6-176-9.3112.3L45 N86 S170 L194 M214 H215 S216 Y221 E222L45-R218 HydrophobicContact CD1-CB 4.3Å; L45-R218 HydrophobicContact CD1-CG 3.89Å; N86-R218 PolarHBondContact ND2-NH1 3.35Å; N86-R218 PolarHBondContact ND2-NH2 3.2Å; S170-R218 WeakPolarHBondContact OG-CD 3.29Å; S170-R218 WeakPolarHBondContact OG-CG 3.35Å; L194-R218 HydrophobicContact CD1-CG 4.32Å; M214-R218 WeakPolarHBondContact O-CB 3.2Å; M214-R218 PolarHBondContact O-N 3.41Å; H215-R218 WeakPolarHBondContact O-CB 3.45Å; H215-R218 PolarHBondContact O-N 2.87Å; S216-R218 VanDerWaalsContact C-N 3.34Å; R218-Y221 PolarHBondContact O-N 2.95Å; R218-E222 HydrophobicContact CG-CG 4.47Å; R218-E222 IonicContact NH1-OE1 3.68Å; R218-E222 PolarHBondContact NH1-OE1 3.48Å; R218-E222 WeakPolarHBondContact O-CG 3.36Å; R218-E222 PolarHBondContact O-N 3.4Å
219V97.5Very high95.9Very high22 Ų2259.4 Ų59.413%0.13331%0.308CS..Hα-helixtrans-59.4-48.1174.7178.40000110.7L44 L45 I48 H215 S216 D217 Y221 E222 T223L44-V219 HydrophobicContact CB-CG1 4.37Å; L44-V219 HydrophobicContact CB-CG2 3.95Å; L45-V219 VanDerWaalsContact CA-CG2 3.46Å; L45-V219 HydrophobicContact CB-CG2 3.66Å; L45-V219 HydrophobicContact CD1-CG2 3.71Å; L45-V219 HydrophobicContact CG-CG2 4.27Å; I48-V219 HydrophobicContact CD1-CG1 4.24Å; H215-V219 PolarHBondContact O-N 2.92Å; S216-V219 WeakPolarHBondContact O-CB 3.49Å; S216-V219 PolarHBondContact O-N 2.92Å; D217-V219 VanDerWaalsContact C-N 3.3Å; D217-V219 PolarHBondContact O-N 3.23Å; V219-Y221 PolarHBondContact O-N 2.85Å; V219-E222 PolarHBondContact O-N 3.03Å; V219-T223 VanDerWaalsContact O-CB 3.25Å; V219-T223 WeakPolarHBondContact O-CB 3.26Å; V219-T223 PolarHBondContact O-N 3.25Å; V219-T223 PolarHBondContact O-OG1 3.16Å
220G96.8Very high95.7Very high33 Ų3365.8 Ų65.834%0.3433%0.328SS..Hα-helixtrans-59.2-46.617700000112S216 D217 T223 L224S216-G220 PolarHBondContact O-N 2.79Å; D217-G220 PolarHBondContact O-N 3.42Å; D217-G220 VanDerWaalsContact O-N 3.09Å; G220-T223 PolarHBondContact O-N 3.07Å; G220-L224 WeakPolarHBondContact O-CB 3.32Å; G220-L224 VanDerWaalsContact O-CG 3.31Å; G220-L224 WeakPolarHBondContact O-CG 3.46Å; G220-L224 PolarHBondContact O-N 3.13Å
221Y96.2Very high95.5Very high134 Ų13466.1 Ų66.153%0.52532%0.324SS..Hα-helixtrans-59.6-49.4179.3-176.6-93.3000112.5D217 R218 V219 L224 G225D217-Y221 PolarHBondContact O-N 2.94Å; R218-Y221 PolarHBondContact O-N 2.95Å; V219-Y221 PolarHBondContact O-N 2.85Å; Y221-L224 PolarHBondContact O-N 2.66Å; Y221-G225 PolarHBondContact O-N 3.14Å
222E97Very high95.1Very high3 Ų367.4 Ų67.41%0.01432%0.324CS..Hα-helixtrans-72.8-31.7-179.3-62.1-57.6154.100112.6I48 S170 H171 R174 R218 V219 G225 R226I48-E222 HydrophobicContact CD1-CB 4.42Å; S170-E222 WeakPolarHBondContact O-CG 3.46Å; H171-E222 IonicContact CD2-OE1 3.91Å; H171-E222 IonicContact CD2-OE2 3.57Å; R174-E222 IonicContact CZ-OE2 3.34Å; R174-E222 IonicContact NE-OE2 2.99Å; R174-E222 PolarHBondContact NE-OE2 3.37Å; R174-E222 IonicContact NH2-OE1 3.59Å; R174-E222 IonicContact NH2-OE2 2.86Å; R174-E222 PolarHBondContact NH2-OE2 2.98Å; R218-E222 HydrophobicContact CG-CG 4.47Å; R218-E222 IonicContact NH1-OE1 3.68Å; R218-E222 PolarHBondContact NH1-OE1 3.48Å; R218-E222 WeakPolarHBondContact O-CG 3.36Å; R218-E222 PolarHBondContact O-N 3.4Å; V219-E222 PolarHBondContact O-N 3.03Å; E222-G225 PolarHBondContact O-N 3.21Å; E222-R226 WeakPolarHBondContact O-CB 3.5Å; E222-R226 WeakPolarHBondContact O-CG 3.39Å; E222-R226 PolarHBondContact O-N 3.12Å
223T96.3Very high94.1Very high64 Ų6469.2 Ų69.239%0.39335%0.349SS..Hα-helixtrans-64.2-48.9173.6-57.70000110.9V219 G220 G225 R226 I227V219-T223 VanDerWaalsContact O-CB 3.25Å; V219-T223 WeakPolarHBondContact O-CB 3.26Å; V219-T223 PolarHBondContact O-N 3.25Å; V219-T223 PolarHBondContact O-OG1 3.16Å; G220-T223 PolarHBondContact O-N 3.07Å; T223-G225 VanDerWaalsContact C-N 3.33Å; T223-G225 PolarHBondContact O-N 3.2Å; T223-R226 PolarHBondContact O-N 2.9Å; T223-I227 HydrophobicContact CG2-CD1 4.12Å; T223-I227 WeakPolarHBondContact O-CG1 3.28Å; T223-I227 PolarHBondContact O-N 3.46Å
224L96.3Very high92.5Very high123 Ų12367 Ų6764%0.64434%0.338SS*.Hα-helixtrans-62.8-41.2176.2-71.1174.1000111.5G220 Y221 R226 I227 W228G220-L224 WeakPolarHBondContact O-CB 3.32Å; G220-L224 VanDerWaalsContact O-CG 3.31Å; G220-L224 WeakPolarHBondContact O-CG 3.46Å; G220-L224 PolarHBondContact O-N 3.13Å; Y221-L224 PolarHBondContact O-N 2.66Å; L224-R226 VanDerWaalsContact C-N 3.34Å; L224-R226 PolarHBondContact O-N 3.39Å; L224-I227 PolarHBondContact O-N 2.83Å; L224-W228 WeakPolarHBondContact O-CB 3.32Å; L224-W228 PolarHBondContact O-N 3.38Å
225G95Very high90.4Very high18 Ų1867.2 Ų67.219%0.18635%0.346CS..Hα-helixtrans-59.8-41.3175.500000112.9R174 Y221 E222 T223 W228 Q229R174-G225 VanDerWaalsContact CD-C 3.48Å; Y221-G225 PolarHBondContact O-N 3.14Å; E222-G225 PolarHBondContact O-N 3.21Å; T223-G225 VanDerWaalsContact C-N 3.33Å; T223-G225 PolarHBondContact O-N 3.2Å; G225-W228 PolarHBondContact O-N 2.93Å; G225-Q229 WeakPolarHBondContact O-CB 3.47Å; G225-Q229 PolarHBondContact O-N 2.86Å
226R94.1Very high88.3Confident105 Ų10570 Ų7040%0.39638%0.376SS..Hα-helixtrans-68.6-40.7175.8-80.4-174.6152.8-152.5-12.5112.9P173 R174 E222 T223 L224 W228 Q229 W230P173-R226 PolarHBondContact O-NH2 3.05Å; P173-R226 VanDerWaalsContact O-NH2 3.07Å; R174-R226 HydrophobicContact CB-CG 4.32Å; E222-R226 WeakPolarHBondContact O-CB 3.5Å; E222-R226 WeakPolarHBondContact O-CG 3.39Å; E222-R226 PolarHBondContact O-N 3.12Å; T223-R226 PolarHBondContact O-N 2.9Å; L224-R226 VanDerWaalsContact C-N 3.34Å; L224-R226 PolarHBondContact O-N 3.39Å; R226-W228 VanDerWaalsContact C-N 3.31Å; R226-W228 PolarHBondContact O-N 2.69Å; R226-Q229 PolarHBondContact O-N 3.37Å; R226-W230 WeakPolarHBondContact O-CB 3.39Å; R226-W230 PolarHBondContact O-N 3.18Å
227I94.7Very high85.8Confident85 Ų8577.4 Ų77.444%0.43641%0.409SS..Hα-helixtrans-60.8-44.7174.2-68.3166.1000110T223 L224 W230 L231T223-I227 HydrophobicContact CG2-CD1 4.12Å; T223-I227 WeakPolarHBondContact O-CG1 3.28Å; T223-I227 PolarHBondContact O-N 3.46Å; L224-I227 PolarHBondContact O-N 2.83Å; I227-W230 PolarHBondContact O-N 2.68Å; I227-L231 HydrophobicContact CG2-CD1 4Å; I227-L231 HydrophobicContact CG2-CG 4.42Å; I227-L231 WeakPolarHBondContact O-CB 3.46Å; I227-L231 WeakPolarHBondContact O-CG 3.29Å; I227-L231 PolarHBondContact O-N 3.12Å
228W92.7Very high83.6Confident159 Ų15976.2 Ų76.260%0.60241%0.408SS*.Hα-helixtrans-63.5-44.8176.9177.4-107.4000112.8L224 G225 R226 W230 L231 K232L224-W228 WeakPolarHBondContact O-CB 3.32Å; L224-W228 PolarHBondContact O-N 3.38Å; G225-W228 PolarHBondContact O-N 2.93Å; R226-W228 VanDerWaalsContact C-N 3.31Å; R226-W228 PolarHBondContact O-N 2.69Å; W228-W230 VanDerWaalsContact C-N 3.32Å; W228-W230 PolarHBondContact O-N 3.4Å; W228-L231 PolarHBondContact O-N 3.24Å; W228-K232 HydrophobicContact CZ2-CD 4.37Å; W228-K232 HydrophobicContact CZ2-CG 4.23Å; W228-K232 PolarHBondContact O-N 3.21Å
229Q92.5Very high81.6Confident4 Ų481.6 Ų81.62%0.01943%0.428CS..Hα-helixtrans-57.5-45.6174.3-177.8179.250.500110.9R174 I177 F178 G225 R226 K232 S234R174-Q229 PolarHBondContact O-NE2 3Å; R174-Q229 VanDerWaalsContact O-NE2 3.1Å; I177-Q229 HydrophobicContact CG2-CG 4.45Å; F178-Q229 HydrophobicContact CE1-CG 3.85Å; F178-Q229 HydrophobicContact CE2-CG 4.37Å; F178-Q229 HydrophobicContact CZ-CB 4.11Å; F178-Q229 HydrophobicContact CZ-CG 3.72Å; F178-Q229 VanDerWaalsContact CZ-NE2 3.26Å; G225-Q229 WeakPolarHBondContact O-CB 3.47Å; G225-Q229 PolarHBondContact O-N 2.86Å; R226-Q229 PolarHBondContact O-N 3.37Å; Q229-K232 PolarHBondContact O-N 3.3Å; Q229-S234 VanDerWaalsContact O-CB 3.28Å; Q229-S234 WeakPolarHBondContact O-CB 3.36Å; Q229-S234 PolarHBondContact O-N 3.22Å
230W90.6Very high79Confident165 Ų16589.8 Ų89.863%0.62547%0.465SS*.Hα-helixtrans-61.8-45.3175.7176.778.4000112.4R226 I227 W228 K232 G233R226-W230 WeakPolarHBondContact O-CB 3.39Å; R226-W230 PolarHBondContact O-N 3.18Å; I227-W230 PolarHBondContact O-N 2.68Å; W228-W230 VanDerWaalsContact C-N 3.32Å; W228-W230 PolarHBondContact O-N 3.4Å; W230-K232 VanDerWaalsContact C-N 3.3Å; W230-K232 PolarHBondContact O-N 3.41Å; W230-G233 PolarHBondContact O-N 3.26Å; W230-G233 VanDerWaalsContact O-N 3.07Å
231L91.7Very high76.2Confident111 Ų11199.7 Ų99.758%0.58150%0.502SS*.Hα-helixtrans-63.5-31.4178.2-74.8172.3000113.6I227 W228 G233I227-L231 HydrophobicContact CG2-CD1 4Å; I227-L231 HydrophobicContact CG2-CG 4.42Å; I227-L231 WeakPolarHBondContact O-CB 3.46Å; I227-L231 WeakPolarHBondContact O-CG 3.29Å; I227-L231 PolarHBondContact O-N 3.12Å; W228-L231 PolarHBondContact O-N 3.24Å; L231-G233 PolarHBondContact O-N 3.05Å
232K86.9Confident75.2Confident95 Ų9598 Ų9841%0.41350%0.501SS..THydrogen-bonded Turntrans-69.4-8.9174.7-89.3-171.5162.3-166.20113.7E148 W228 Q229 W230E148-K232 IonicContact OE2-NZ 3.37Å; E148-K232 PolarHBondContact OE2-NZ 3.03Å; W228-K232 HydrophobicContact CZ2-CD 4.37Å; W228-K232 HydrophobicContact CZ2-CG 4.23Å; W228-K232 PolarHBondContact O-N 3.21Å; Q229-K232 PolarHBondContact O-N 3.3Å; W230-K232 VanDerWaalsContact C-N 3.3Å; W230-K232 PolarHBondContact O-N 3.41Å
233G76.7Confident74.1Confident58 Ų58102.9 Ų102.960%0.59853%0.527SS*.THydrogen-bonded Turntrans86.86.9-173.700000113.6W230 L231 S235W230-G233 PolarHBondContact O-N 3.26Å; W230-G233 VanDerWaalsContact O-N 3.07Å; L231-G233 PolarHBondContact O-N 3.05Å; G233-S235 PolarHBondContact O-N 3.33Å
234S63.6Low72.8Confident12 Ų12105.1 Ų105.18%0.08453%0.534CS..  trans-77.745.7174.2-64.40000111.8I177 Q181 Q229I177-S234 WeakPolarHBondContact CG2-O 3.44Å; Q181-S234 VanDerWaalsContact NE2-CA 3.31Å; Q181-S234 PolarHBondContact NE2-O 3.27Å; Q181-S234 PolarHBondContact OE1-OG 2.8Å; Q229-S234 VanDerWaalsContact O-CB 3.28Å; Q229-S234 WeakPolarHBondContact O-CB 3.36Å; Q229-S234 PolarHBondContact O-N 3.22Å
235S51.2Low71.4Confident72 Ų72104.1 Ų104.150%0.50353%0.527SS..SBendtrans-108.187.7172.157.80000110.4G233 E237G233-S235 PolarHBondContact O-N 3.33Å; S235-E237 PolarHBondContact O-N 2.64Å
236G52.8Low70Confident64 Ų64109.4 Ų109.466%0.6655%0.549SS*.SBendtrans87.9-7.8145.800000120.1
237E47Very low68.4Low167 Ų167109.7 Ų109.778%0.7856%0.559SS**PPolyproline II helixtrans-102128.3173.4-72.3-177.6163.300110.9S235S235-E237 PolarHBondContact O-N 2.64Å
238P50.3Low66.5Low83 Ų83111.5 Ų111.554%0.53957%0.568SS.*PPolyproline II helixtrans-58.5140.3171.7-18.930000110.3Q240P238-Q240 PolarHBondContact O-N 3.33Å; P238-Q240 VanDerWaalsContact O-N 3.11Å
239R54.4Low64.5Low137 Ų137107.8 Ų107.852%0.51757%0.565SS.*PPolyproline II helixtrans-60.5117.2165.2-75178.7178.1146.60.4107.6E148 Q181 E182 E241E148-R239 IonicContact OE1-CZ 3.7Å; E148-R239 IonicContact OE1-NH1 3.91Å; E148-R239 IonicContact OE1-NH2 2.68Å; E148-R239 PolarHBondContact OE1-NH2 3.02Å; Q181-R239 PolarHBondContact O-N 3.02Å; E182-R239 IonicContact OE1-NH1 3.97Å; E182-R239 IonicContact OE2-CZ 3.81Å; E182-R239 IonicContact OE2-NH1 2.8Å; E182-R239 PolarHBondContact OE2-NH1 3.3Å; R239-E241 PolarHBondContact O-N 3.03Å
240Q41.6Very low62.1Low194 Ų194116.5 Ų116.591%0.90761%0.611SS**PPolyproline II helixtrans-71.9116.1168.1-66.6-176.6-0.600107.3P238P238-Q240 PolarHBondContact O-N 3.33Å; P238-Q240 VanDerWaalsContact O-N 3.11Å
241E38.6Very low59.5Low240 Ų240112.1 Ų112.1100%1.12261%0.609SS**  trans-72.40160.6-72.1-174.5170.200110.8R239R239-E241 PolarHBondContact O-N 3.03Å

Retrieved 241 of 241 residues in 63.1 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).