G4VTU1_SCHMA Loading...

Serine/threonine-protein

AlphaFold DB , UniProt , Accession G4VTU1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 420 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M49.3Very low62.7Low206 Ų206117.4 Ų117.4100%1.01562%0.618SS**  0-50.40-78-85.3-130.500111.5L4M1-L4 PolarHBondContact O-N 3.08Å
2A55.4Low63.3Low78 Ų78117.8 Ų117.865%0.64561%0.614SS**G310 helixtrans-62.9-40.6-179.200000115.3L4 Q5A2-L4 VanDerWaalsContact C-N 3.32Å; A2-L4 PolarHBondContact O-N 3.07Å; A2-Q5 PolarHBondContact O-N 3.19Å; A2-Q5 VanDerWaalsContact O-N 3.15Å
3L49.1Very low63.4Low119 Ų119113.8 Ų113.862%0.62359%0.594SS**G310 helixtrans-66.4-27-179-72.2166000114.5Q5 Y9L3-Q5 VanDerWaalsContact C-N 3.28Å; L3-Q5 PolarHBondContact O-N 3.49Å; L3-Y9 HydrophobicContact CB-CD1 4.43Å; L3-Y9 HydrophobicContact CB-CE1 4.48Å; L3-Y9 VanDerWaalsContact O-CD1 3.23Å; L3-Y9 WeakPolarHBondContact O-CD1 3.35Å
4L49.9Very low63.6Low116 Ų116109.5 Ų109.561%0.60757%0.571SS**G310 helixtrans-80.9-9177.2-73.3168.9000113M1 A2M1-L4 PolarHBondContact O-N 3.08Å; A2-L4 VanDerWaalsContact C-N 3.32Å; A2-L4 PolarHBondContact O-N 3.07Å
5Q56.2Low63.9Low165 Ų165106.7 Ų106.777%0.77156%0.564SS**G310 helixtrans-91.7-12.8175-68.6-176.3-25.600112.6A2 L3 E7A2-Q5 PolarHBondContact O-N 3.19Å; A2-Q5 VanDerWaalsContact O-N 3.15Å; L3-Q5 VanDerWaalsContact C-N 3.28Å; L3-Q5 PolarHBondContact O-N 3.49Å; Q5-E7 PolarHBondContact O-N 3.12Å
6D73.3Confident63.9Low86 Ų86105.7 Ų105.746%0.4656%0.559SS.*  trans-75.7116.8171.8176.826.6000110G8 Y9 R10D6-G8 PolarHBondContact O-N 3.42Å; D6-G8 PolarHBondContact OD1-N 3.42Å; D6-G8 VanDerWaalsContact OD1-N 3.15Å; D6-Y9 WeakPolarHBondContact OD2-CB 3.29Å; D6-Y9 PolarHBondContact OD2-N 3.46Å; D6-Y9 VanDerWaalsContact OD2-N 3.15Å; D6-R10 WeakPolarHBondContact O-CB 3.26Å; D6-R10 PolarHBondContact O-N 3.19Å
7E74.7Confident63.5Low168 Ų168103.5 Ų103.579%0.78555%0.547SS*.Hα-helixtrans-62.4-33.1178.8-70.8-164.4156.700112Q5 R10 A11Q5-E7 PolarHBondContact O-N 3.12Å; E7-R10 PolarHBondContact O-N 3.11Å; E7-A11 WeakPolarHBondContact O-CB 3.45Å; E7-A11 PolarHBondContact O-N 3.23Å
8G75.6Confident63.4Low43 Ų43101.9 Ų101.944%0.44354%0.537SS..Hα-helixtrans-63.7-55.9177.800000111.6D6 R10 A11 E12D6-G8 PolarHBondContact O-N 3.42Å; D6-G8 PolarHBondContact OD1-N 3.42Å; D6-G8 VanDerWaalsContact OD1-N 3.15Å; G8-R10 VanDerWaalsContact C-N 3.28Å; G8-R10 PolarHBondContact O-N 3.12Å; G8-A11 PolarHBondContact O-N 3.42Å; G8-A11 VanDerWaalsContact O-N 3.12Å; G8-E12 PolarHBondContact O-N 2.64Å
9Y68.4Low63.4Low94 Ų9499.5 Ų99.537%0.36953%0.533SS..Hα-helixtrans-57.7-39176-175.6-100.4000112.9L3 D6 L13L3-Y9 HydrophobicContact CB-CD1 4.43Å; L3-Y9 HydrophobicContact CB-CE1 4.48Å; L3-Y9 VanDerWaalsContact O-CD1 3.23Å; L3-Y9 WeakPolarHBondContact O-CD1 3.35Å; D6-Y9 WeakPolarHBondContact OD2-CB 3.29Å; D6-Y9 PolarHBondContact OD2-N 3.46Å; D6-Y9 VanDerWaalsContact OD2-N 3.15Å; Y9-L13 HydrophobicContact CE1-CD2 4.44Å; Y9-L13 VanDerWaalsContact O-CB 3.29Å; Y9-L13 WeakPolarHBondContact O-CB 3.4Å; Y9-L13 PolarHBondContact O-N 2.89Å
10R65.4Low63.4Low157 Ų157100 Ų10059%0.59254%0.535SS*.Hα-helixtrans-65.2-39.7177-175.4176.9174.9163.3-2.1112.2D6 E7 G8 L14D6-R10 WeakPolarHBondContact O-CB 3.26Å; D6-R10 PolarHBondContact O-N 3.19Å; E7-R10 PolarHBondContact O-N 3.11Å; G8-R10 VanDerWaalsContact C-N 3.28Å; G8-R10 PolarHBondContact O-N 3.12Å; R10-L14 HydrophobicContact CG-CD1 4.04Å; R10-L14 VanDerWaalsContact O-CB 3.31Å; R10-L14 WeakPolarHBondContact O-CB 3.2Å; R10-L14 WeakPolarHBondContact O-CD1 3.34Å; R10-L14 VanDerWaalsContact O-CG 3.29Å; R10-L14 WeakPolarHBondContact O-CG 3.32Å; R10-L14 PolarHBondContact O-N 2.94Å
11A72.1Confident63.6Low59 Ų5997.7 Ų97.749%0.48852%0.52SS..Hα-helixtrans-68.4-42.4178.500000111.9E7 G8 L14 S15E7-A11 WeakPolarHBondContact O-CB 3.45Å; E7-A11 PolarHBondContact O-N 3.23Å; G8-A11 PolarHBondContact O-N 3.42Å; G8-A11 VanDerWaalsContact O-N 3.12Å; A11-L14 PolarHBondContact O-N 3.42Å; A11-S15 WeakPolarHBondContact O-CB 3.46Å; A11-S15 PolarHBondContact O-N 2.94Å
12E69.7Low64.7Low122 Ų12291.8 Ų91.857%0.5750%0.495SS*.Hα-helixtrans-62.3-50.2175.3-172.4175.6-164.900111.3G8 L14 S15 D16G8-E12 PolarHBondContact O-N 2.64Å; E12-L14 VanDerWaalsContact C-N 3.27Å; E12-L14 PolarHBondContact O-N 3.19Å; E12-S15 WeakPolarHBondContact O-CA 3.05Å; E12-S15 WeakPolarHBondContact O-CB 3.44Å; E12-S15 PolarHBondContact O-N 3.2Å; E12-D16 PolarHBondContact O-N 2.94Å
13L65.6Low65.5Low67 Ų6795 Ų9535%0.35150%0.495SS..Hα-helixtrans-58.6-39175.9-176.467.9000112.2Y9 L17Y9-L13 HydrophobicContact CE1-CD2 4.44Å; Y9-L13 VanDerWaalsContact O-CB 3.29Å; Y9-L13 WeakPolarHBondContact O-CB 3.4Å; Y9-L13 PolarHBondContact O-N 2.89Å; L13-L17 HydrophobicContact CD1-CD1 4.49Å; L13-L17 HydrophobicContact CG-CD1 4.07Å; L13-L17 VanDerWaalsContact O-CB 3.31Å; L13-L17 WeakPolarHBondContact O-CB 3.26Å; L13-L17 WeakPolarHBondContact O-CD1 3.33Å; L13-L17 WeakPolarHBondContact O-CG 3.35Å; L13-L17 PolarHBondContact O-N 3.24Å
14L65.2Low66.5Low53 Ų5391.5 Ų91.528%0.27747%0.474SS..Hα-helixtrans-64.7-41.2175-85.4162.7000111.8R10 A11 E12 Q18 F120R10-L14 HydrophobicContact CG-CD1 4.04Å; R10-L14 VanDerWaalsContact O-CB 3.31Å; R10-L14 WeakPolarHBondContact O-CB 3.2Å; R10-L14 WeakPolarHBondContact O-CD1 3.34Å; R10-L14 VanDerWaalsContact O-CG 3.29Å; R10-L14 WeakPolarHBondContact O-CG 3.32Å; R10-L14 PolarHBondContact O-N 2.94Å; A11-L14 PolarHBondContact O-N 3.42Å; E12-L14 VanDerWaalsContact C-N 3.27Å; E12-L14 PolarHBondContact O-N 3.19Å; L14-Q18 WeakPolarHBondContact O-CB 3.1Å; L14-Q18 WeakPolarHBondContact O-CG 3.42Å; L14-Q18 PolarHBondContact O-N 3.12Å; L14-F120 HydrophobicContact CD2-CD2 4Å; L14-F120 HydrophobicContact CD2-CE2 3.62Å; L14-F120 HydrophobicContact CD2-CZ 4.03Å
15S68.5Low67.7Low67 Ų6787.3 Ų87.347%0.46945%0.451SS..Hα-helixtrans-63.4-46.8177.2-178.90000111.4A11 E12 Q18 A19A11-S15 WeakPolarHBondContact O-CB 3.46Å; A11-S15 PolarHBondContact O-N 2.94Å; E12-S15 WeakPolarHBondContact O-CA 3.05Å; E12-S15 WeakPolarHBondContact O-CB 3.44Å; E12-S15 PolarHBondContact O-N 3.2Å; S15-Q18 PolarHBondContact O-N 3.2Å; S15-A19 WeakPolarHBondContact O-CB 3.31Å; S15-A19 PolarHBondContact O-N 3.26Å
16D64.3Low68.6Low91 Ų9182.4 Ų82.449%0.48744%0.435SS..Hα-helixtrans-63.2-46.1178.4-74-10.4000111.7E12 Q18 A19 D20E12-D16 PolarHBondContact O-N 2.94Å; D16-Q18 VanDerWaalsContact C-N 3.33Å; D16-Q18 PolarHBondContact O-N 3.25Å; D16-A19 PolarHBondContact O-N 3.17Å; D16-D20 PolarHBondContact O-N 2.89Å
17L56.6Low68.7Low68 Ų6881.7 Ų81.736%0.35643%0.43SS..Hα-helixtrans-58.6-45.7174.4-73.8170.6000111L13 A19 D20 Y21L13-L17 HydrophobicContact CD1-CD1 4.49Å; L13-L17 HydrophobicContact CG-CD1 4.07Å; L13-L17 VanDerWaalsContact O-CB 3.31Å; L13-L17 WeakPolarHBondContact O-CB 3.26Å; L13-L17 WeakPolarHBondContact O-CD1 3.33Å; L13-L17 WeakPolarHBondContact O-CG 3.35Å; L13-L17 PolarHBondContact O-N 3.24Å; L17-A19 VanDerWaalsContact C-N 3.34Å; L17-A19 PolarHBondContact O-N 3.48Å; L17-D20 PolarHBondContact O-N 2.65Å; L17-Y21 HydrophobicContact CB-CD2 4.46Å; L17-Y21 HydrophobicContact CB-CE2 4.21Å; L17-Y21 HydrophobicContact CD2-CE2 4.33Å; L17-Y21 WeakPolarHBondContact O-CD2 3.42Å; L17-Y21 PolarHBondContact O-N 3.14Å
18Q62.3Low68.6Low75 Ų7573.8 Ų73.835%0.3539%0.393SS..Hα-helixtrans-62.4-38.8177.7-77173.22.100112.6L14 S15 D16 Y21 T22 F120L14-Q18 WeakPolarHBondContact O-CB 3.1Å; L14-Q18 WeakPolarHBondContact O-CG 3.42Å; L14-Q18 PolarHBondContact O-N 3.12Å; S15-Q18 PolarHBondContact O-N 3.2Å; D16-Q18 VanDerWaalsContact C-N 3.33Å; D16-Q18 PolarHBondContact O-N 3.25Å; Q18-Y21 PolarHBondContact O-N 3.3Å; Q18-T22 WeakPolarHBondContact O-CB 3.36Å; Q18-T22 PolarHBondContact O-N 2.83Å; Q18-T22 PolarHBondContact O-OG1 3.33Å; Q18-F120 HydrophobicContact CG-CB 4.39Å; Q18-F120 HydrophobicContact CG-CD1 3.85Å; Q18-F120 HydrophobicContact CG-CG 4.33Å; Q18-F120 VanDerWaalsContact NE2-CD1 3.27Å
19A64Low68.5Low56 Ų5674 Ų7446%0.46338%0.382SS..Hα-helixtrans-63.7-46.2176.700000111.6S15 D16 L17 Y21 T22 K23S15-A19 WeakPolarHBondContact O-CB 3.31Å; S15-A19 PolarHBondContact O-N 3.26Å; D16-A19 PolarHBondContact O-N 3.17Å; L17-A19 VanDerWaalsContact C-N 3.34Å; L17-A19 PolarHBondContact O-N 3.48Å; A19-Y21 PolarHBondContact O-N 2.89Å; A19-T22 WeakPolarHBondContact O-CB 3.35Å; A19-T22 PolarHBondContact O-N 2.85Å; A19-K23 PolarHBondContact O-N 3.4Å
20D62.3Low69Low110 Ų11076.9 Ų76.959%0.58839%0.393SS*.Hα-helixtrans-59-45.6175.5-85.3-14.9000111.8D16 L17 T22 K23 F24D16-D20 PolarHBondContact O-N 2.89Å; L17-D20 PolarHBondContact O-N 2.65Å; D20-T22 VanDerWaalsContact C-N 3.33Å; D20-T22 PolarHBondContact O-N 2.92Å; D20-K23 PolarHBondContact O-N 3.26Å; D20-F24 WeakPolarHBondContact O-CB 3.4Å; D20-F24 PolarHBondContact O-N 2.88Å
21Y67.9Low69.5Low52 Ų5273.1 Ų73.120%0.20438%0.382CS..Hα-helixtrans-68.2-30.6177.7-71.5-56.1000113.2L17 Q18 A19 F24 F25 F120 K121L17-Y21 HydrophobicContact CB-CD2 4.46Å; L17-Y21 HydrophobicContact CB-CE2 4.21Å; L17-Y21 HydrophobicContact CD2-CE2 4.33Å; L17-Y21 WeakPolarHBondContact O-CD2 3.42Å; L17-Y21 PolarHBondContact O-N 3.14Å; Q18-Y21 PolarHBondContact O-N 3.3Å; A19-Y21 PolarHBondContact O-N 2.89Å; Y21-F24 PolarHBondContact O-N 2.8Å; Y21-F25 VanDerWaalsContact O-CB 3.32Å; Y21-F25 WeakPolarHBondContact O-CB 3.34Å; Y21-F25 PolarHBondContact O-N 2.66Å; Y21-F120 VanDerWaalsContact CB-O 3.23Å; Y21-F120 WeakPolarHBondContact CB-O 3.17Å; Y21-F120 HydrophobicContact CD2-CB 4.38Å; Y21-F120 WeakPolarHBondContact CD2-O 3.33Å; Y21-K121 HydrophobicContact CD1-CB 4.21Å; Y21-K121 HydrophobicContact CD1-CG 4.01Å; Y21-K121 HydrophobicContact CE1-CB 4.19Å; Y21-K121 HydrophobicContact CE1-CD 3.72Å; Y21-K121 HydrophobicContact CE1-CG 3.55Å; Y21-K121 HydrophobicContact CE2-CG 4.18Å; Y21-K121 WeakPolarHBondContact OH-CE 3Å; Y21-K121 PolarHBondContact OH-NZ 3.08Å
22T72.1Confident69.7Low81 Ų8170.3 Ų70.350%0.49736%0.359SS..Hα-helixtrans-68.4-42.6173.9-580000111Q18 A19 D20 F24 F25 S26Q18-T22 WeakPolarHBondContact O-CB 3.36Å; Q18-T22 PolarHBondContact O-N 2.83Å; Q18-T22 PolarHBondContact O-OG1 3.33Å; A19-T22 WeakPolarHBondContact O-CB 3.35Å; A19-T22 PolarHBondContact O-N 2.85Å; D20-T22 VanDerWaalsContact C-N 3.33Å; D20-T22 PolarHBondContact O-N 2.92Å; T22-F24 VanDerWaalsContact C-N 3.35Å; T22-F25 PolarHBondContact O-N 3.43Å; T22-S26 PolarHBondContact O-N 2.95Å; T22-S26 PolarHBondContact O-OG 2.84Å
23K72.6Confident70Confident147 Ų14770.4 Ų70.464%0.63936%0.359SS*.Hα-helixtrans-64.5-39.6174-172.5179.8179.6-1780111.9A19 D20 S26 M27A19-K23 PolarHBondContact O-N 3.4Å; D20-K23 PolarHBondContact O-N 3.26Å; K23-S26 PolarHBondContact O-OG 2.92Å; K23-M27 PolarHBondContact O-N 3.39Å; K23-M27 VanDerWaalsContact O-N 3.08Å
24F70.1Confident70.3Confident45 Ų4570.5 Ų70.520%0.19738%0.377CS..Hα-helixtrans-66.4-41.3174.5-175.1-90.1000111.9D20 Y21 T22 M27 A28 M77 G83 P122D20-F24 WeakPolarHBondContact O-CB 3.4Å; D20-F24 PolarHBondContact O-N 2.88Å; Y21-F24 PolarHBondContact O-N 2.8Å; T22-F24 VanDerWaalsContact C-N 3.35Å; F24-M27 WeakPolarHBondContact O-CB 3.26Å; F24-M27 PolarHBondContact O-N 3.4Å; F24-A28 WeakPolarHBondContact O-CB 3.46Å; F24-A28 PolarHBondContact O-N 3.1Å; F24-M77 HydrophobicContact CE1-CE 3.46Å; F24-M77 VanDerWaalsContact CE1-CE 3.46Å; F24-M77 HydrophobicContact CZ-CE 3.6Å; F24-G83 VanDerWaalsContact CE2-CA 3.49Å; F24-G83 WeakPolarHBondContact CZ-O 3.25Å; F24-P122 HydrophobicContact CD1-CG 3.83Å; F24-P122 HydrophobicContact CE1-CG 4.44Å
25F74Confident70.7Confident28 Ų2869.6 Ų69.612%0.12337%0.372CS..Hα-helixtrans-58.1-49.3176.2-178.8-107.5000111.2Y21 T22 M27 A28 E29 H111 P122 F124Y21-F25 VanDerWaalsContact O-CB 3.32Å; Y21-F25 WeakPolarHBondContact O-CB 3.34Å; Y21-F25 PolarHBondContact O-N 2.66Å; T22-F25 PolarHBondContact O-N 3.43Å; F25-M27 VanDerWaalsContact C-N 3.32Å; F25-M27 PolarHBondContact O-N 3.11Å; F25-A28 PolarHBondContact O-N 3.13Å; F25-E29 WeakPolarHBondContact CE1-OE2 3.4Å; F25-E29 VanDerWaalsContact O-CB 3.3Å; F25-E29 WeakPolarHBondContact O-CB 2.93Å; F25-E29 PolarHBondContact O-N 3.38Å; F25-H111 HydrophobicContact CE2-CB 3.99Å; F25-H111 HydrophobicContact CZ-CB 4.33Å; F25-H111 AromaticContact CZ-CD2 3.74Å; F25-H111 AromaticContact CZ-CG 3.91Å; F25-P122 HydrophobicContact CB-CB 3.93Å; F25-P122 HydrophobicContact CB-CG 4.02Å; F25-P122 HydrophobicContact CD2-CB 3.34Å; F25-P122 HydrophobicContact CD2-CG 4.27Å; F25-P122 HydrophobicContact CE2-CB 4.23Å; F25-P122 HydrophobicContact CG-CB 4.04Å; F25-F124 HydrophobicContact CD2-CE1 4.49Å; F25-F124 HydrophobicContact CD2-CE2 4.28Å; F25-F124 AromaticContact CD2-CZ 3.73Å; F25-F124 HydrophobicContact CD2-CZ 3.73Å; F25-F124 HydrophobicContact CE2-CE1 4.1Å; F25-F124 AromaticContact CE2-CZ 3.79Å; F25-F124 HydrophobicContact CE2-CZ 3.79Å
26S75.8Confident71.2Confident61 Ų6167.8 Ų67.843%0.42736%0.359SS..Hα-helixtrans-65.2-34.5178.6620000112.8T22 K23 R30T22-S26 PolarHBondContact O-N 2.95Å; T22-S26 PolarHBondContact O-OG 2.84Å; K23-S26 PolarHBondContact O-OG 2.92Å; S26-R30 VanDerWaalsContact O-CB 3.24Å; S26-R30 WeakPolarHBondContact O-CB 3.47Å; S26-R30 PolarHBondContact O-N 3.5Å
27M75.7Confident72Confident72 Ų7272.3 Ų72.336%0.35537%0.374SS..Hα-helixtrans-61.4-50.1171.1-106.8179.26200112.1K23 F24 F25 R30 E31K23-M27 PolarHBondContact O-N 3.39Å; K23-M27 VanDerWaalsContact O-N 3.08Å; F24-M27 WeakPolarHBondContact O-CB 3.26Å; F24-M27 PolarHBondContact O-N 3.4Å; F25-M27 VanDerWaalsContact C-N 3.32Å; F25-M27 PolarHBondContact O-N 3.11Å; M27-R30 PolarHBondContact O-N 2.72Å; M27-E31 WeakPolarHBondContact O-CG 3.35Å; M27-E31 PolarHBondContact O-N 3.12Å
28A72.3Confident73.5Confident1 Ų170 Ų701%0.00836%0.363CS..Hα-helixtrans-66.2-40.4-18000000112.3F24 F25 E31 L32 F84 F124F24-A28 WeakPolarHBondContact O-CB 3.46Å; F24-A28 PolarHBondContact O-N 3.1Å; F25-A28 PolarHBondContact O-N 3.13Å; A28-E31 PolarHBondContact O-N 3.31Å; A28-L32 WeakPolarHBondContact O-CB 3.35Å; A28-L32 WeakPolarHBondContact O-CG 3.07Å; A28-L32 PolarHBondContact O-N 3.47Å; A28-F84 HydrophobicContact CB-CB 4.2Å; A28-F84 HydrophobicContact CB-CD2 3.84Å; A28-F84 HydrophobicContact CB-CG 4.47Å; A28-F124 HydrophobicContact CB-CD2 4.43Å; A28-F124 HydrophobicContact CB-CE1 4.47Å; A28-F124 HydrophobicContact CB-CE2 3.41Å; A28-F124 VanDerWaalsContact CB-CE2 3.41Å; A28-F124 HydrophobicContact CB-CZ 3.44Å; A28-F124 VanDerWaalsContact CB-CZ 3.44Å
29E73.6Confident74.8Confident47 Ų4770.9 Ų70.922%0.2237%0.366CS..Hα-helixtrans-62.2-44.5174.6-172.1166.5-138.600110.6F25 E31 L32 E33F25-E29 WeakPolarHBondContact CE1-OE2 3.4Å; F25-E29 VanDerWaalsContact O-CB 3.3Å; F25-E29 WeakPolarHBondContact O-CB 2.93Å; F25-E29 PolarHBondContact O-N 3.38Å; E29-E31 PolarHBondContact O-N 3.25Å; E29-L32 CarbonylContact O-C 3.47Å; E29-L32 PolarHBondContact O-N 3.43Å; E29-L32 VanDerWaalsContact O-N 3.15Å; E29-E33 HydrophobicContact CG-CG 4.22Å; E29-E33 WeakPolarHBondContact O-CB 3.36Å; E29-E33 VanDerWaalsContact O-CG 3.27Å; E29-E33 WeakPolarHBondContact O-CG 3.28Å; E29-E33 PolarHBondContact O-N 3.2Å
30R78.8Confident76.2Confident156 Ų15671.4 Ų71.459%0.58936%0.364SS*.Hα-helixtrans-60.7-42.9175.4-172.7-174.769.6-172.90.9113.1S26 M27 L32 E33 G34S26-R30 VanDerWaalsContact O-CB 3.24Å; S26-R30 WeakPolarHBondContact O-CB 3.47Å; S26-R30 PolarHBondContact O-N 3.5Å; M27-R30 PolarHBondContact O-N 2.72Å; R30-L32 VanDerWaalsContact C-N 3.31Å; R30-E33 PolarHBondContact O-N 3.29Å; R30-G34 PolarHBondContact O-N 3.25Å
31E75.4Confident77.7Confident78 Ų7866.9 Ų66.936%0.36434%0.341SS..Hα-helixtrans-62.3-40.7175-72.1-64.2143.700111.4M27 A28 E29M27-E31 WeakPolarHBondContact O-CG 3.35Å; M27-E31 PolarHBondContact O-N 3.12Å; A28-E31 PolarHBondContact O-N 3.31Å; E29-E31 PolarHBondContact O-N 3.25Å
32L76.4Confident79Confident0 Ų069.2 Ų69.20%036%0.357CS..Hα-helixtrans-70.8-42.5177-74173.7000111.9A28 E29 R30 G34 I35 S36 T38 F84 L89 I92 I109 F124A28-L32 WeakPolarHBondContact O-CB 3.35Å; A28-L32 WeakPolarHBondContact O-CG 3.07Å; A28-L32 PolarHBondContact O-N 3.47Å; E29-L32 CarbonylContact O-C 3.47Å; E29-L32 PolarHBondContact O-N 3.43Å; E29-L32 VanDerWaalsContact O-N 3.15Å; R30-L32 VanDerWaalsContact C-N 3.31Å; L32-G34 PolarHBondContact O-N 3.04Å; L32-I35 CarbonylContact O-C 3.55Å; L32-I35 WeakPolarHBondContact O-CA 3.36Å; L32-I35 PolarHBondContact O-N 3.04Å; L32-S36 CarbonylContact C-O 3.52Å; L32-S36 VanDerWaalsContact C-O 3.27Å; L32-S36 CarbonylContact O-C 3.53Å; L32-S36 PolarHBondContact O-N 3.05Å; L32-T38 HydrophobicContact CB-CG2 3.88Å; L32-T38 HydrophobicContact CD1-CG2 3.68Å; L32-T38 HydrophobicContact CG-CG2 4.4Å; L32-F84 HydrophobicContact CD1-CD2 4.41Å; L32-F84 HydrophobicContact CD1-CE2 3.77Å; L32-F84 HydrophobicContact CD1-CZ 4.06Å; L32-F84 HydrophobicContact CD2-CE1 4.13Å; L32-F84 HydrophobicContact CD2-CE2 4.32Å; L32-F84 HydrophobicContact CD2-CZ 3.82Å; L32-F84 HydrophobicContact CG-CE2 4.19Å; L32-F84 HydrophobicContact CG-CZ 4.2Å; L32-L89 HydrophobicContact CD2-CD2 4.18Å; L32-I92 HydrophobicContact CD2-CD1 3.68Å; L32-I109 HydrophobicContact CD1-CG2 4.21Å; L32-I109 HydrophobicContact CD2-CD1 4.12Å; L32-F124 HydrophobicContact CD1-CD1 3.39Å; L32-F124 HydrophobicContact CD1-CE1 3.5Å; L32-F124 VanDerWaalsContact CD1-CE1 3.5Å; L32-F124 HydrophobicContact CD1-CG 4.18Å; L32-F124 HydrophobicContact CD1-CZ 4.36Å
33E76.7Confident80Confident123 Ų12367.4 Ų67.458%0.57534%0.343SS*.Hα-helixtrans-59.2-29.1178.5-79.2-179.3160.800112.5E29 R30 I35 S36E29-E33 HydrophobicContact CG-CG 4.22Å; E29-E33 WeakPolarHBondContact O-CB 3.36Å; E29-E33 VanDerWaalsContact O-CG 3.27Å; E29-E33 WeakPolarHBondContact O-CG 3.28Å; E29-E33 PolarHBondContact O-N 3.2Å; R30-E33 PolarHBondContact O-N 3.29Å; E33-I35 PolarHBondContact O-N 2.95Å; E33-S36 WeakPolarHBondContact CA-O 3.44Å
34G72.9Confident81.2Confident70 Ų7061.2 Ų61.272%0.72232%0.315SS*.THydrogen-bonded Turntrans-65.6-12.2170.600000114.5R30 L32R30-G34 PolarHBondContact O-N 3.25Å; L32-G34 PolarHBondContact O-N 3.04Å
35I73.2Confident82.4Confident34 Ų3461.7 Ų61.717%0.17432%0.322CS..THydrogen-bonded Turntrans-130.3-32.6-172.2-56.2166.9000112.2L32 E33 L89 I92 R93 Q96L32-I35 CarbonylContact O-C 3.55Å; L32-I35 WeakPolarHBondContact O-CA 3.36Å; L32-I35 PolarHBondContact O-N 3.04Å; E33-I35 PolarHBondContact O-N 2.95Å; I35-L89 HydrophobicContact CD1-CD2 3.89Å; I35-I92 HydrophobicContact CG2-CG2 3.95Å; I35-R93 HydrophobicContact CD1-CG 4.18Å; I35-R93 VanDerWaalsContact CD1-NE 3.33Å; I35-R93 HydrophobicContact CG2-CG 3.93Å; I35-Q96 PolarHBondContact O-NE2 3.32Å
36S77.6Confident83.4Confident29 Ų2966 Ų6620%0.20334%0.337CS..  trans-165.2148.8-175-166.50000111.7L32 E33L32-S36 CarbonylContact C-O 3.52Å; L32-S36 VanDerWaalsContact C-O 3.27Å; L32-S36 CarbonylContact O-C 3.53Å; L32-S36 PolarHBondContact O-N 3.05Å; E33-S36 WeakPolarHBondContact CA-O 3.44Å
37K82.2Confident84.4Confident185 Ų18566.8 Ų66.880%0.80434%0.337SS*.  trans-74.4142165.1-65.2-174.3179.4-176.50109.8
38T86.9Confident85.2Confident21 Ų2168 Ų6813%0.12934%0.342CS..EExtended strand (participates in β ladder)trans-100.3155.3172.672.90000110.8L32 I109 H111L32-T38 HydrophobicContact CB-CG2 3.88Å; L32-T38 HydrophobicContact CD1-CG2 3.68Å; L32-T38 HydrophobicContact CG-CG2 4.4Å; T38-I109 CarbonylContact C-O 3.5Å; T38-I109 VanDerWaalsContact CA-O 3.25Å; T38-I109 WeakPolarHBondContact CA-O 3.47Å; T38-I109 HydrophobicContact CG2-CB 4.41Å; T38-I109 HydrophobicContact CG2-CG2 4.08Å; T38-H111 PolarHBondContact OG1-CE1 2.87Å; T38-H111 PolarHBondContact OG1-ND1 3.49Å
39K90.5Very high86.3Confident92 Ų9270.6 Ų70.640%0.435%0.352SS..EExtended strand (participates in β ladder)trans-124.4154.2175-63.6-173.5-164.9160.40111.8V41 E108 I109 C110 H111K39-V41 PolarHBondContact O-N 3.36Å; K39-E108 WeakPolarHBondContact CD-OE2 3.43Å; K39-E108 IonicContact NZ-OE1 3.03Å; K39-E108 PolarHBondContact NZ-OE1 3.22Å; K39-E108 IonicContact NZ-OE2 3.82Å; K39-I109 PolarHBondContact N-O 3.3Å; K39-C110 CarbonylContact O-C 3.56Å; K39-C110 WeakPolarHBondContact O-CA 3.41Å; K39-H111 PolarHBondContact O-N 3.1Å
40P92.7Very high87.2Confident67 Ų6769.2 Ų69.244%0.43535%0.347SS..EExtended strand (participates in β ladder)trans-56.7133.1169.1-29.739.7000112.3D42 Q43P40-D42 WeakPolarHBondContact CB-OD1 3.42Å; P40-D42 PolarHBondContact O-N 2.89Å; P40-Q43 WeakPolarHBondContact O-CG 3.12Å; P40-Q43 PolarHBondContact O-NE2 3.01Å; P40-Q43 VanDerWaalsContact O-NE2 3.1Å
41V94.7Very high87.6Confident16 Ų1662.5 Ų62.510%0.09733%0.325CS..G310 helixtrans-73.2-13.9179.274.20000112.8K39 Q43 Y44 L72 C110 H111 Y125K39-V41 PolarHBondContact O-N 3.36Å; V41-Q43 PolarHBondContact O-N 3.42Å; V41-Y44 PolarHBondContact O-N 3.06Å; V41-L72 HydrophobicContact CG2-CD1 4.17Å; V41-L72 HydrophobicContact CG2-CD2 3.86Å; V41-C110 HydrophobicContact CB-CB 3.89Å; V41-C110 HydrophobicContact CG2-CB 4.02Å; V41-H111 WeakPolarHBondContact CB-O 3.39Å; V41-H111 WeakPolarHBondContact CG1-O 3.48Å; V41-H111 PolarHBondContact N-O 2.97Å; V41-Y125 HydrophobicContact CB-CD2 4.11Å; V41-Y125 HydrophobicContact CB-CE2 4.12Å; V41-Y125 HydrophobicContact CG1-CD2 4.5Å; V41-Y125 HydrophobicContact CG1-CE2 4.01Å; V41-Y125 HydrophobicContact CG2-CD2 3.85Å; V41-Y125 HydrophobicContact CG2-CE2 4.03Å; V41-Y125 HydrophobicContact CG2-CG 4.3Å
42D93.7Very high88Confident101 Ų10164 Ų6454%0.5433%0.333SS..G310 helixtrans-64.3-18.6-177.673.2-39.1000113.2P40 Y44 K64P40-D42 WeakPolarHBondContact CB-OD1 3.42Å; P40-D42 PolarHBondContact O-N 2.89Å; D42-Y44 PolarHBondContact O-N 3.18Å; D42-Y44 VanDerWaalsContact O-N 3.17Å; D42-K64 VanDerWaalsContact O-CD 3.29Å; D42-K64 WeakPolarHBondContact O-CD 3.49Å; D42-K64 WeakPolarHBondContact O-CE 3.36Å; D42-K64 PolarHBondContact O-NZ 2.79Å
43Q94.7Very high87.8Confident42 Ų4265.8 Ų65.820%0.19635%0.35CS..G310 helixtrans-63.8-12.3169.669.8-173.8-40.500113.3P40 V41 H63 K64 E108P40-Q43 WeakPolarHBondContact O-CG 3.12Å; P40-Q43 PolarHBondContact O-NE2 3.01Å; P40-Q43 VanDerWaalsContact O-NE2 3.1Å; V41-Q43 PolarHBondContact O-N 3.42Å; Q43-H63 PolarHBondContact O-CD2 3.21Å; Q43-H63 PolarHBondContact OE1-NE2 2.82Å; Q43-K64 WeakPolarHBondContact O-CB 3.24Å; Q43-K64 WeakPolarHBondContact O-CG 3.33Å; Q43-K64 PolarHBondContact O-N 2.9Å; Q43-E108 PolarHBondContact NE2-OE2 3.14Å
44Y96.8Very high87.4Confident17 Ų1764.2 Ų64.27%0.06735%0.349CS..EExtended strand (participates in β ladder)trans-110.2138.5177.8-62.9-79.8000112.5V41 D42 V61 H63 F70 E108 V127V41-Y44 PolarHBondContact O-N 3.06Å; D42-Y44 PolarHBondContact O-N 3.18Å; D42-Y44 VanDerWaalsContact O-N 3.17Å; Y44-V61 HydrophobicContact CD1-CB 4.46Å; Y44-V61 HydrophobicContact CD1-CG2 3.68Å; Y44-V61 HydrophobicContact CE1-CG2 4.42Å; Y44-V61 HydrophobicContact CG-CG2 4.08Å; Y44-H63 HydrophobicContact CD1-CB 3.98Å; Y44-H63 HydrophobicContact CE1-CB 3.81Å; Y44-H63 AromaticContact CE1-CD2 3.72Å; Y44-H63 AromaticContact CZ-CD2 3.96Å; Y44-F70 HydrophobicContact CD1-CD2 4.27Å; Y44-F70 HydrophobicContact CE1-CB 4.48Å; Y44-F70 AromaticContact CE1-CD2 3.6Å; Y44-F70 HydrophobicContact CE1-CD2 3.6Å; Y44-F70 HydrophobicContact CE1-CE2 4.01Å; Y44-F70 HydrophobicContact CE1-CG 4.14Å; Y44-E108 PolarHBondContact OH-OE1 3.27Å; Y44-E108 PolarHBondContact OH-OE2 2.98Å; Y44-V127 HydrophobicContact CE1-CG1 4.27Å; Y44-V127 HydrophobicContact CE2-CG2 3.93Å
45V96.5Very high87.2Confident55 Ų5562.8 Ų62.833%0.33332%0.323SS..EExtended strand (participates in β ladder)trans-96.7120.7168.9-176.90000108.5L47 V61 R62 K64V45-L47 HydrophobicContact CG1-CD2 4.23Å; V45-V61 CarbonylContact O-C 3.54Å; V45-V61 VanDerWaalsContact O-CA 3.26Å; V45-V61 WeakPolarHBondContact O-CA 3.21Å; V45-R62 PolarHBondContact N-O 3.42Å; V45-R62 PolarHBondContact O-N 3Å; V45-K64 HydrophobicContact CG2-CD 4.48Å; V45-K64 HydrophobicContact CG2-CG 3.69Å
46R95.2Very high87.6Confident118 Ų11861.2 Ų61.245%0.44532%0.316SS..EExtended strand (participates in β ladder)trans-70129.8172.9-64.3-177.2-173.2170.75.6109.9V61 Y125R46-V61 HydrophobicContact CG-CG1 4.17Å; R46-Y125 VanDerWaalsContact NH2-CZ 3.27Å; R46-Y125 PolarHBondContact NH2-OH 2.98Å
47L95.2Very high88.2Confident79 Ų7961.6 Ų61.641%0.41432%0.315SS..EExtended strand (participates in β ladder)trans-106.8-55-178.8-57.9-177.1000111.7V45 K60 R62V45-L47 HydrophobicContact CG1-CD2 4.23Å; L47-K60 WeakPolarHBondContact CB-O 3.47Å; L47-K60 HydrophobicContact CD1-CG 4.3Å; L47-K60 PolarHBondContact N-O 3.02Å; L47-R62 HydrophobicContact CD1-CB 3.94Å; L47-R62 HydrophobicContact CD2-CB 4.42Å; L47-R62 HydrophobicContact CG-CB 4.3Å
48Q94.1Very high88.8Confident98 Ų9854.6 Ų54.646%0.45829%0.287SS..EExtended strand (participates in β ladder)trans-153.1144.9-173-169.6-179.619.900110.4F59 K60Q48-F59 CarbonylContact O-C 3.48Å; Q48-F59 VanDerWaalsContact O-CA 3.29Å; Q48-F59 WeakPolarHBondContact O-CA 3.43Å; Q48-K60 PolarHBondContact N-O 3.38Å; Q48-K60 PolarHBondContact O-N 2.87Å
49K93.8Very high89.2Confident54 Ų5455 Ų5524%0.23529%0.287CS..EExtended strand (participates in β ladder)trans-76.2124.6166.7-174.2174.4172.2178.10109.2E57 F59 F361K49-E57 WeakPolarHBondContact CE-OE1 3.32Å; K49-E57 IonicContact NZ-OE1 2.68Å; K49-E57 PolarHBondContact NZ-OE1 3.39Å; K49-F59 HydrophobicContact CB-CD1 3.86Å; K49-F59 HydrophobicContact CB-CE1 3.8Å; K49-F59 HydrophobicContact CD-CE1 4.25Å; K49-F59 HydrophobicContact CG-CD1 4.27Å; K49-F59 HydrophobicContact CG-CE1 4Å; K49-F361 HydrophobicContact CB-CE1 4.33Å; K49-F361 HydrophobicContact CD-CE1 4.3Å; K49-F361 HydrophobicContact CD-CZ 3.97Å; K49-F361 HydrophobicContact CG-CE1 3.89Å; K49-F361 HydrophobicContact CG-CZ 4.01Å; K49-F361 WeakPolarHBondContact O-CE1 3.35Å
50I92.5Very high89.5Confident19 Ų1952.7 Ų52.710%0.09728%0.277CS..EExtended strand (participates in β ladder)trans-117.6-6.4-17461.9173.3000113.4V58 K60 A71 F130 L359 F361I50-V58 HydrophobicContact CD1-CG1 3.94Å; I50-V58 HydrophobicContact CG1-CB 4.15Å; I50-V58 HydrophobicContact CG1-CG1 3.82Å; I50-V58 WeakPolarHBondContact CG1-O 3.46Å; I50-V58 PolarHBondContact N-O 2.74Å; I50-K60 HydrophobicContact CD1-CB 4.25Å; I50-K60 HydrophobicContact CG2-CB 3.69Å; I50-A71 HydrophobicContact CD1-CB 4.24Å; I50-F130 HydrophobicContact CD1-CD2 4.19Å; I50-F130 HydrophobicContact CD1-CE2 3.76Å; I50-L359 HydrophobicContact CB-CD1 3.85Å; I50-L359 HydrophobicContact CG2-CD1 4.1Å; I50-F361 WeakPolarHBondContact O-CB 3.21Å
51G87.6Confident89.7Confident14 Ų1449.5 Ų49.514%0.14426%0.256CS..EExtended strand (participates in β ladder)trans-165.1156.5178.500000112.2V58G51-V58 PolarHBondContact N-O 3.27Å; G51-V58 VanDerWaalsContact N-O 3.16Å; G51-V58 PolarHBondContact O-N 2.94Å
52Q85.1Confident89.8Confident111 Ų11153.3 Ų53.352%0.51927%0.269SS..EExtended strand (participates in β ladder)trans-150.5124.6170-178.6174.9-9.900108.1E57 F361Q52-E57 HydrophobicContact CG-CG 4.39Å; Q52-F361 HydrophobicContact CB-CD2 4.38Å; Q52-F361 HydrophobicContact CB-CE2 3.82Å
53G72.4Confident90Very high36 Ų3649.7 Ų49.737%0.37125%0.249SC..EExtended strand (participates in β ladder)trans-140.6-169.7179.300000111.6F55 G56 R76G53-F55 PolarHBondContact O-N 2.84Å; G53-G56 PolarHBondContact N-O 2.94Å; G53-G56 PolarHBondContact O-N 3.33Å; G53-R76 PolarHBondContact O-NH2 3.14Å
54T68.1Low90.1Very high90 Ų9052.7 Ų52.755%0.55226%0.261SS*.THydrogen-bonded Turntrans-55.9-40.5178.6-50.60000111.8R76T54-R76 PolarHBondContact O-NH1 3.25Å
55F68.6Low90.1Very high40 Ų4056.4 Ų56.418%0.17529%0.289CS..THydrogen-bonded Turntrans-84.5-11-173.5-61-69.8000115.2G53 G192 L193G53-F55 PolarHBondContact O-N 2.84Å; F55-G192 VanDerWaalsContact CZ-C 3.48Å; F55-L193 HydrophobicContact CE2-CG 4.19Å; F55-L193 HydrophobicContact CZ-CD2 3.72Å; F55-L193 HydrophobicContact CZ-CG 3.75Å
56G80.4Confident90.1Very high2 Ų257.8 Ų57.82%0.02130%0.298CS..EExtended strand (participates in β ladder)trans157.2-172.2-172.700000115.8G53 R74G53-G56 PolarHBondContact N-O 2.94Å; G53-G56 PolarHBondContact O-N 3.33Å; G56-R74 WeakPolarHBondContact CA-O 3.38Å
57E90.5Very high90.1Very high37 Ų3758.2 Ų58.217%0.17330%0.304CS..EExtended strand (participates in β ladder)trans-106.5141.8169.5-60.6179.5114.500108.3K49 Q52 F59 R74K49-E57 WeakPolarHBondContact CE-OE1 3.32Å; K49-E57 IonicContact NZ-OE1 2.68Å; K49-E57 PolarHBondContact NZ-OE1 3.39Å; Q52-E57 HydrophobicContact CG-CG 4.39Å; E57-F59 HydrophobicContact CB-CD2 4.46Å; E57-F59 HydrophobicContact CB-CE2 3.58Å; E57-F59 HydrophobicContact CB-CZ 3.87Å; E57-R74 PolarHBondContact O-N 2.84Å; E57-R74 IonicContact OE2-CZ 3.75Å; E57-R74 IonicContact OE2-NH1 3.38Å; E57-R74 PolarHBondContact OE2-NH1 3.31Å; E57-R74 IonicContact OE2-NH2 3.57Å
58V94.5Very high90.1Very high37 Ų3759.6 Ų59.622%0.22431%0.308CS..EExtended strand (participates in β ladder)trans-115.8131179.3-169.90000108.8I50 G51 A71 L72 K73I50-V58 HydrophobicContact CD1-CG1 3.94Å; I50-V58 HydrophobicContact CG1-CB 4.15Å; I50-V58 HydrophobicContact CG1-CG1 3.82Å; I50-V58 WeakPolarHBondContact CG1-O 3.46Å; I50-V58 PolarHBondContact N-O 2.74Å; G51-V58 PolarHBondContact N-O 3.27Å; G51-V58 VanDerWaalsContact N-O 3.16Å; G51-V58 PolarHBondContact O-N 2.94Å; V58-A71 HydrophobicContact CG1-CB 4.17Å; V58-L72 WeakPolarHBondContact CA-O 3.41Å; V58-K73 HydrophobicContact CG2-CB 4.26Å; V58-K73 HydrophobicContact CG2-CG 4.21Å
59F95.7Very high90.3Very high29 Ų2958.5 Ų58.513%0.12730%0.302CS..EExtended strand (participates in β ladder)trans-120.4137.4-179.3-59.4-91.3000110.7Q48 K49 E57 V61 A71 L72Q48-F59 CarbonylContact O-C 3.48Å; Q48-F59 VanDerWaalsContact O-CA 3.29Å; Q48-F59 WeakPolarHBondContact O-CA 3.43Å; K49-F59 HydrophobicContact CB-CD1 3.86Å; K49-F59 HydrophobicContact CB-CE1 3.8Å; K49-F59 HydrophobicContact CD-CE1 4.25Å; K49-F59 HydrophobicContact CG-CD1 4.27Å; K49-F59 HydrophobicContact CG-CE1 4Å; E57-F59 HydrophobicContact CB-CD2 4.46Å; E57-F59 HydrophobicContact CB-CE2 3.58Å; E57-F59 HydrophobicContact CB-CZ 3.87Å; F59-V61 HydrophobicContact CB-CG1 4.13Å; F59-V61 PolarHBondContact O-N 3.37Å; F59-A71 CarbonylContact O-C 3.6Å; F59-A71 WeakPolarHBondContact O-CA 3.47Å; F59-L72 HydrophobicContact CB-CB 4.5Å; F59-L72 PolarHBondContact N-O 2.75Å; F59-L72 PolarHBondContact O-N 2.78Å
60K96.5Very high90.4Very high45 Ų4556.6 Ų56.620%0.19629%0.294CS..EExtended strand (participates in β ladder)trans-70.2126.6160.1-176.1175.2-175.1165.30107.8L47 Q48 I50 H69 F130L47-K60 WeakPolarHBondContact CB-O 3.47Å; L47-K60 HydrophobicContact CD1-CG 4.3Å; L47-K60 PolarHBondContact N-O 3.02Å; Q48-K60 PolarHBondContact N-O 3.38Å; Q48-K60 PolarHBondContact O-N 2.87Å; I50-K60 HydrophobicContact CD1-CB 4.25Å; I50-K60 HydrophobicContact CG2-CB 3.69Å; K60-H69 VanDerWaalsContact CE-CD2 3.46Å; K60-H69 WeakPolarHBondContact CE-CD2 3.43Å; K60-F130 HydrophobicContact CB-CD2 4.44Å; K60-F130 HydrophobicContact CB-CE2 4Å; K60-F130 HydrophobicContact CD-CD2 4.4Å; K60-F130 HydrophobicContact CD-CE1 4.29Å; K60-F130 HydrophobicContact CD-CE2 3.75Å; K60-F130 HydrophobicContact CD-CZ 3.7Å; K60-F130 HydrophobicContact CG-CD2 4.02Å; K60-F130 HydrophobicContact CG-CE2 3.74Å; K60-F130 HydrophobicContact CG-CZ 4.21Å
61V97.5Very high90.7Very high0 Ų056.2 Ų56.20%029%0.294CS..EExtended strand (participates in β ladder)trans-128159178.5-53.90000110.5Y44 V45 R46 F59 H69 F70 L72Y44-V61 HydrophobicContact CD1-CB 4.46Å; Y44-V61 HydrophobicContact CD1-CG2 3.68Å; Y44-V61 HydrophobicContact CE1-CG2 4.42Å; Y44-V61 HydrophobicContact CG-CG2 4.08Å; V45-V61 CarbonylContact O-C 3.54Å; V45-V61 VanDerWaalsContact O-CA 3.26Å; V45-V61 WeakPolarHBondContact O-CA 3.21Å; R46-V61 HydrophobicContact CG-CG1 4.17Å; F59-V61 HydrophobicContact CB-CG1 4.13Å; F59-V61 PolarHBondContact O-N 3.37Å; V61-H69 CarbonylContact O-C 3.59Å; V61-H69 VanDerWaalsContact O-CA 3.31Å; V61-H69 WeakPolarHBondContact O-CA 3.26Å; V61-F70 HydrophobicContact CG2-CB 3.79Å; V61-F70 PolarHBondContact N-O 3.23Å; V61-F70 PolarHBondContact O-N 2.79Å; V61-L72 HydrophobicContact CB-CB 4.47Å; V61-L72 HydrophobicContact CG1-CB 3.52Å; V61-L72 HydrophobicContact CG1-CD2 3.93Å; V61-L72 HydrophobicContact CG1-CG 4.32Å; V61-L72 HydrophobicContact CG2-CB 4.07Å
62R97.7Very high91.1Very high96 Ų9655.6 Ų55.636%0.36229%0.287SS..EExtended strand (participates in β ladder)trans-123.8127.2173.6-179.7176.463.8179.2-2.8109.8V45 L47 K67 Q68V45-R62 PolarHBondContact N-O 3.42Å; V45-R62 PolarHBondContact O-N 3Å; L47-R62 HydrophobicContact CD1-CB 3.94Å; L47-R62 HydrophobicContact CD2-CB 4.42Å; L47-R62 HydrophobicContact CG-CB 4.3Å; R62-K67 WeakPolarHBondContact CG-O 3.17Å; R62-Q68 WeakPolarHBondContact CA-O 3.37Å
63H97.1Very high91.6Very high25 Ų2551.2 Ų51.212%0.11627%0.267CS..EExtended strand (participates in β ladder)trans-67.2133.5175.1-173.4-114.7000110.7Q43 Y44 S65 T66 K67 Q68 F70Q43-H63 PolarHBondContact O-CD2 3.21Å; Q43-H63 PolarHBondContact OE1-NE2 2.82Å; Y44-H63 HydrophobicContact CD1-CB 3.98Å; Y44-H63 HydrophobicContact CE1-CB 3.81Å; Y44-H63 AromaticContact CE1-CD2 3.72Å; Y44-H63 AromaticContact CZ-CD2 3.96Å; H63-S65 PolarHBondContact CE1-OG 3.17Å; H63-S65 PolarHBondContact ND1-OG 3.07Å; H63-S65 PolarHBondContact O-N 3.02Å; H63-T66 WeakPolarHBondContact CB-OG1 3.45Å; H63-T66 PolarHBondContact ND1-N 3.41Å; H63-T66 PolarHBondContact ND1-OG1 2.89Å; H63-K67 VanDerWaalsContact O-CA 3.26Å; H63-K67 WeakPolarHBondContact O-CA 3.46Å; H63-K67 PolarHBondContact O-N 3.39Å; H63-Q68 PolarHBondContact N-O 2.73Å; H63-F70 HydrophobicContact CB-CD2 4.21Å; H63-F70 HydrophobicContact CB-CE2 3.8Å
64K96.8Very high92.5Very high104 Ų10451.6 Ų51.645%0.45226%0.257SS..THydrogen-bonded Turntrans-63.5-43.9-169.2-79.9177.8175.2171.80113D42 Q43 V45 K67D42-K64 VanDerWaalsContact O-CD 3.29Å; D42-K64 WeakPolarHBondContact O-CD 3.49Å; D42-K64 WeakPolarHBondContact O-CE 3.36Å; D42-K64 PolarHBondContact O-NZ 2.79Å; Q43-K64 WeakPolarHBondContact O-CB 3.24Å; Q43-K64 WeakPolarHBondContact O-CG 3.33Å; Q43-K64 PolarHBondContact O-N 2.9Å; V45-K64 HydrophobicContact CG2-CD 4.48Å; V45-K64 HydrophobicContact CG2-CG 3.69Å; K64-K67 WeakPolarHBondContact O-CE 3.47Å; K64-K67 PolarHBondContact O-NZ 2.99Å
65S96Very high93.5Very high95 Ų9548 Ų4866%0.66423%0.234SC*.THydrogen-bonded Turntrans-84.5-53.6-176.658.40000112.3H63 K67H63-S65 PolarHBondContact CE1-OG 3.17Å; H63-S65 PolarHBondContact ND1-OG 3.07Å; H63-S65 PolarHBondContact O-N 3.02Å; S65-K67 VanDerWaalsContact C-N 3.31Å; S65-K67 PolarHBondContact O-N 2.86Å
66T96.1Very high94.2Very high85 Ų8549.3 Ų49.352%0.52124%0.238SC..THydrogen-bonded Turntrans-77.6-13.1-175.465.50000114.1H63 Q68H63-T66 WeakPolarHBondContact CB-OG1 3.45Å; H63-T66 PolarHBondContact ND1-N 3.41Å; H63-T66 PolarHBondContact ND1-OG1 2.89Å; T66-Q68 PolarHBondContact O-N 2.85Å; T66-Q68 PolarHBondContact OG1-N 2.94Å
67K96.1Very high94.1Very high127 Ų12750.4 Ų50.455%0.55224%0.243SC*.  trans58.68.4-174-50-56-176.6-166.80115R62 H63 K64 S65R62-K67 WeakPolarHBondContact CG-O 3.17Å; H63-K67 VanDerWaalsContact O-CA 3.26Å; H63-K67 WeakPolarHBondContact O-CA 3.46Å; H63-K67 PolarHBondContact O-N 3.39Å; K64-K67 WeakPolarHBondContact O-CE 3.47Å; K64-K67 PolarHBondContact O-NZ 2.99Å; S65-K67 VanDerWaalsContact C-N 3.31Å; S65-K67 PolarHBondContact O-N 2.86Å
68Q96Very high93.2Very high107 Ų10754 Ų5450%0.526%0.259SS..  trans-71.9144178-177175.83.900111.3R62 H63 T66 F70R62-Q68 WeakPolarHBondContact CA-O 3.37Å; H63-Q68 PolarHBondContact N-O 2.73Å; T66-Q68 PolarHBondContact O-N 2.85Å; T66-Q68 PolarHBondContact OG1-N 2.94Å; Q68-F70 HydrophobicContact CB-CE2 3.7Å; Q68-F70 HydrophobicContact CB-CZ 4.09Å; Q68-F70 HydrophobicContact CG-CD2 4.38Å; Q68-F70 HydrophobicContact CG-CE1 4.41Å; Q68-F70 HydrophobicContact CG-CE2 3.66Å; Q68-F70 HydrophobicContact CG-CZ 3.68Å; Q68-F70 WeakPolarHBondContact O-CD2 3.26Å
69H96.6Very high91.8Very high75 Ų7560.1 Ų60.135%0.34729%0.286SS..EExtended strand (participates in β ladder)trans-89.1142.6176.8-66.998.6000111.7K60 V61 F130K60-H69 VanDerWaalsContact CE-CD2 3.46Å; K60-H69 WeakPolarHBondContact CE-CD2 3.43Å; V61-H69 CarbonylContact O-C 3.59Å; V61-H69 VanDerWaalsContact O-CA 3.31Å; V61-H69 WeakPolarHBondContact O-CA 3.26Å; H69-F130 HydrophobicContact CB-CB 4.23Å; H69-F130 HydrophobicContact CB-CD1 4.44Å; H69-F130 HydrophobicContact CB-CG 4.38Å
70F97.3Very high90.4Very high14 Ų1462.4 Ų62.46%0.06130%0.297CS..EExtended strand (participates in β ladder)trans-139.6164.8178.3-63.1-88.3000110.4Y44 V61 H63 Q68 K107 V127 F128Y44-F70 HydrophobicContact CD1-CD2 4.27Å; Y44-F70 HydrophobicContact CE1-CB 4.48Å; Y44-F70 AromaticContact CE1-CD2 3.6Å; Y44-F70 HydrophobicContact CE1-CD2 3.6Å; Y44-F70 HydrophobicContact CE1-CE2 4.01Å; Y44-F70 HydrophobicContact CE1-CG 4.14Å; V61-F70 HydrophobicContact CG2-CB 3.79Å; V61-F70 PolarHBondContact N-O 3.23Å; V61-F70 PolarHBondContact O-N 2.79Å; H63-F70 HydrophobicContact CB-CD2 4.21Å; H63-F70 HydrophobicContact CB-CE2 3.8Å; Q68-F70 HydrophobicContact CB-CE2 3.7Å; Q68-F70 HydrophobicContact CB-CZ 4.09Å; Q68-F70 HydrophobicContact CG-CD2 4.38Å; Q68-F70 HydrophobicContact CG-CE1 4.41Å; Q68-F70 HydrophobicContact CG-CE2 3.66Å; Q68-F70 HydrophobicContact CG-CZ 3.68Å; Q68-F70 WeakPolarHBondContact O-CD2 3.26Å; F70-K107 HydrophobicContact CD1-CG 4.28Å; F70-K107 HydrophobicContact CE1-CG 4.08Å; F70-V127 HydrophobicContact CB-CG1 3.79Å; F70-V127 HydrophobicContact CD1-CG1 3.88Å; F70-V127 HydrophobicContact CG-CG1 3.93Å; F70-F128 WeakPolarHBondContact CA-O 3.27Å; F70-F128 VanDerWaalsContact CB-O 3.31Å; F70-F128 WeakPolarHBondContact CB-O 3.35Å; F70-F128 WeakPolarHBondContact CD1-O 3.18Å
71A97.2Very high88.9Confident12 Ų1270 Ų7010%0.09933%0.33CS..EExtended strand (participates in β ladder)trans-102.7128.5167.100000109.7I50 V58 F59 V127 F128I50-A71 HydrophobicContact CD1-CB 4.24Å; V58-A71 HydrophobicContact CG1-CB 4.17Å; F59-A71 CarbonylContact O-C 3.6Å; F59-A71 WeakPolarHBondContact O-CA 3.47Å; A71-V127 WeakPolarHBondContact O-CA 3.5Å; A71-F128 HydrophobicContact CB-CB 4.33Å; A71-F128 PolarHBondContact N-O 3.43Å; A71-F128 PolarHBondContact O-N 3.15Å
72L96.4Very high87.3Confident0 Ų078.8 Ų78.80%037%0.371CS..EExtended strand (participates in β ladder)trans-111.4107.2-179.4-172.778.1000109.2V41 V58 F59 V61 Y125 L126 V127V41-L72 HydrophobicContact CG2-CD1 4.17Å; V41-L72 HydrophobicContact CG2-CD2 3.86Å; V58-L72 WeakPolarHBondContact CA-O 3.41Å; F59-L72 HydrophobicContact CB-CB 4.5Å; F59-L72 PolarHBondContact N-O 2.75Å; F59-L72 PolarHBondContact O-N 2.78Å; V61-L72 HydrophobicContact CB-CB 4.47Å; V61-L72 HydrophobicContact CG1-CB 3.52Å; V61-L72 HydrophobicContact CG1-CD2 3.93Å; V61-L72 HydrophobicContact CG1-CG 4.32Å; V61-L72 HydrophobicContact CG2-CB 4.07Å; L72-Y125 VanDerWaalsContact CD1-CB 3.43Å; L72-Y125 HydrophobicContact CD1-CD1 4.31Å; L72-Y125 HydrophobicContact CD1-CG 4Å; L72-Y125 HydrophobicContact CD2-CD1 3.73Å; L72-Y125 HydrophobicContact CD2-CE1 4.22Å; L72-Y125 HydrophobicContact CD2-CG 4.11Å; L72-Y125 HydrophobicContact CG-CD1 3.84Å; L72-Y125 HydrophobicContact CG-CG 4.05Å; L72-L126 WeakPolarHBondContact CA-O 3.36Å; L72-V127 HydrophobicContact CD1-CG2 3.62Å
73K95Very high86.1Confident19 Ų1974.4 Ų74.48%0.08336%0.356CS..EExtended strand (participates in β ladder)trans-93.2115.4176.7-179.4176.7173.7-174.60109.1V58 E91 Y125 L126 F128 D190V58-K73 HydrophobicContact CG2-CB 4.26Å; V58-K73 HydrophobicContact CG2-CG 4.21Å; K73-E91 IonicContact NZ-OE1 2.75Å; K73-E91 PolarHBondContact NZ-OE1 3.27Å; K73-E91 IonicContact NZ-OE2 2.78Å; K73-E91 PolarHBondContact NZ-OE2 2.84Å; K73-E91 VanDerWaalsContact NZ-OE2 3.16Å; K73-Y125 CarbonylContact O-C 3.58Å; K73-Y125 VanDerWaalsContact O-CA 3.26Å; K73-Y125 WeakPolarHBondContact O-CA 3.48Å; K73-L126 HydrophobicContact CB-CB 4.38Å; K73-L126 PolarHBondContact N-O 2.85Å; K73-L126 PolarHBondContact O-N 2.8Å; K73-F128 HydrophobicContact CB-CD2 4.39Å; K73-F128 HydrophobicContact CB-CE2 3.95Å; K73-F128 HydrophobicContact CD-CE2 4.19Å; K73-D190 IonicContact NZ-OD1 2.7Å; K73-D190 PolarHBondContact NZ-OD1 2.98Å
74R92.7Very high85.2Confident45 Ų4574 Ų7417%0.1735%0.354CS..EExtended strand (participates in β ladder)trans-75.1129.1174.5-172.4-179.491.3-154.74.9109.9G56 E57 E78 Y125G56-R74 WeakPolarHBondContact CA-O 3.38Å; E57-R74 PolarHBondContact O-N 2.84Å; E57-R74 IonicContact OE2-CZ 3.75Å; E57-R74 IonicContact OE2-NH1 3.38Å; E57-R74 PolarHBondContact OE2-NH1 3.31Å; E57-R74 IonicContact OE2-NH2 3.57Å; R74-E78 IonicContact CZ-OE1 2.7Å; R74-E78 IonicContact NH2-OE1 3.36Å; R74-E78 PolarHBondContact NH2-OE1 3.48Å; R74-E78 VanDerWaalsContact NH2-OE1 3.07Å; R74-Y125 HydrophobicContact CB-CD1 3.8Å; R74-Y125 HydrophobicContact CB-CE1 3.85Å; R74-Y125 HydrophobicContact CG-CD1 3.97Å; R74-Y125 HydrophobicContact CG-CE1 3.67Å
75I88.7Confident84.5Confident13 Ų1369.3 Ų69.37%0.06733%0.333CS..PPolyproline II helixtrans-78.4128173.4-56.9176.8000108.4M77 F84 P85 A88 F124 L126I75-M77 HydrophobicContact CB-SD 4.42Å; I75-M77 HydrophobicContact CG2-SD 3.76Å; I75-M77 PolarHBondContact O-N 3.23Å; I75-F84 HydrophobicContact CD1-CE1 4.35Å; I75-F84 HydrophobicContact CD1-CE2 4.15Å; I75-F84 HydrophobicContact CD1-CZ 3.48Å; I75-F84 VanDerWaalsContact CD1-CZ 3.48Å; I75-F84 HydrophobicContact CG2-CZ 4.45Å; I75-P85 HydrophobicContact CG2-CG 3.96Å; I75-A88 HydrophobicContact CD1-CB 4.26Å; I75-A88 HydrophobicContact CG2-CB 3.8Å; I75-F124 HydrophobicContact CB-CB 4.47Å; I75-F124 HydrophobicContact CD1-CB 4Å; I75-F124 PolarHBondContact N-O 2.87Å; I75-L126 HydrophobicContact CD1-CD2 3.99Å; I75-L126 HydrophobicContact CD1-CG 4.05Å; I75-L126 HydrophobicContact CG1-CG 4.2Å
76R83.4Confident83.7Confident68 Ų6870.1 Ų70.126%0.25733%0.329SS..PPolyproline II helixtrans-77.2119.2174.4-70.9-175.7-177.6-171.55.2109.9G53 T54 E78 P85G53-R76 PolarHBondContact O-NH2 3.14Å; T54-R76 PolarHBondContact O-NH1 3.25Å; R76-E78 VanDerWaalsContact CA-OE2 3.26Å; R76-E78 WeakPolarHBondContact CA-OE2 3.33Å; R76-E78 VanDerWaalsContact CB-OE2 3.28Å; R76-E78 WeakPolarHBondContact CB-OE2 3.5Å; R76-P85 WeakPolarHBondContact O-CG 3.36Å
77M78.1Confident83.1Confident26 Ų2668.5 Ų68.513%0.12832%0.319CS..  trans-106.2-7.5178.5-52.6-61.3-72.300111.4F24 I75 Q79 E80 F84 P85 F124F24-M77 HydrophobicContact CE1-CE 3.46Å; F24-M77 VanDerWaalsContact CE1-CE 3.46Å; F24-M77 HydrophobicContact CZ-CE 3.6Å; I75-M77 HydrophobicContact CB-SD 4.42Å; I75-M77 HydrophobicContact CG2-SD 3.76Å; I75-M77 PolarHBondContact O-N 3.23Å; M77-Q79 VanDerWaalsContact C-N 3.26Å; M77-Q79 PolarHBondContact O-N 3.46Å; M77-E80 PolarHBondContact O-N 3.13Å; M77-F84 HydrophobicContact CE-CB 4.29Å; M77-F84 HydrophobicContact CE-CD2 3.56Å; M77-F84 HydrophobicContact CE-CE2 4.26Å; M77-F84 HydrophobicContact CE-CG 4.13Å; M77-F84 HydrophobicContact SD-CD2 4.11Å; M77-F84 HydrophobicContact SD-CE2 4.28Å; M77-P85 WeakPolarHBondContact SD-CD 3.42Å; M77-P85 HydrophobicContact SD-CG 3.83Å; M77-F124 HydrophobicContact CE-CD2 4.22Å; M77-F124 HydrophobicContact SD-CD2 4.43Å
78E70.9Confident82.6Confident111 Ų11162.7 Ų62.752%0.51930%0.295SS..THydrogen-bonded Turntrans-71.1-18.7-164.9-57.390.2163.100114R74 R76R74-E78 IonicContact CZ-OE1 2.7Å; R74-E78 IonicContact NH2-OE1 3.36Å; R74-E78 PolarHBondContact NH2-OE1 3.48Å; R74-E78 VanDerWaalsContact NH2-OE1 3.07Å; R76-E78 VanDerWaalsContact CA-OE2 3.26Å; R76-E78 WeakPolarHBondContact CA-OE2 3.33Å; R76-E78 VanDerWaalsContact CB-OE2 3.28Å; R76-E78 WeakPolarHBondContact CB-OE2 3.5Å
79Q66Low82.1Confident167 Ų16758.5 Ų58.578%0.7828%0.276SS*.THydrogen-bonded Turntrans-103-10.4-176.1-64.8-177.7-3.200113.7M77M77-Q79 VanDerWaalsContact C-N 3.26Å; M77-Q79 PolarHBondContact O-N 3.46Å
80E66.7Low81.6Confident76 Ų7658.2 Ų58.236%0.35527%0.272SS..  trans-91.3126.6-173-66.4-64.9168.600111.3M77 G83 P85M77-E80 PolarHBondContact O-N 3.13Å; E80-G83 WeakPolarHBondContact CB-O 3.48Å; E80-P85 HydrophobicContact CG-CB 3.81Å; E80-P85 HydrophobicContact CG-CG 3.71Å
81K64.3Low81.3Confident206 Ų20658 Ų5890%0.89627%0.271SS*.SBendtrans-93.3-22.5174.5-64.5-176.1-179.1-178.60112.6
82E65.1Low81Confident184 Ų18457.4 Ų57.486%0.8627%0.266SS*.SBendtrans-103.514.8-166.7-61.7-171164.100113.8
83G71.1Confident80.7Confident4 Ų464.4 Ų64.44%0.04129%0.292CS..SBendtrans112.9-142-179.400000112.8F24 E80F24-G83 VanDerWaalsContact CE2-CA 3.49Å; F24-G83 WeakPolarHBondContact CZ-O 3.25Å; E80-G83 WeakPolarHBondContact CB-O 3.48Å
84F78.2Confident80.5Confident17 Ų1763.7 Ų63.78%0.07529%0.29CS..SBendtrans-74.7135.6-178.8-167.6-85000111.1A28 L32 I75 M77 I86 A88 L89 I92 F124A28-F84 HydrophobicContact CB-CB 4.2Å; A28-F84 HydrophobicContact CB-CD2 3.84Å; A28-F84 HydrophobicContact CB-CG 4.47Å; L32-F84 HydrophobicContact CD1-CD2 4.41Å; L32-F84 HydrophobicContact CD1-CE2 3.77Å; L32-F84 HydrophobicContact CD1-CZ 4.06Å; L32-F84 HydrophobicContact CD2-CE1 4.13Å; L32-F84 HydrophobicContact CD2-CE2 4.32Å; L32-F84 HydrophobicContact CD2-CZ 3.82Å; L32-F84 HydrophobicContact CG-CE2 4.19Å; L32-F84 HydrophobicContact CG-CZ 4.2Å; I75-F84 HydrophobicContact CD1-CE1 4.35Å; I75-F84 HydrophobicContact CD1-CE2 4.15Å; I75-F84 HydrophobicContact CD1-CZ 3.48Å; I75-F84 VanDerWaalsContact CD1-CZ 3.48Å; I75-F84 HydrophobicContact CG2-CZ 4.45Å; M77-F84 HydrophobicContact CE-CB 4.29Å; M77-F84 HydrophobicContact CE-CD2 3.56Å; M77-F84 HydrophobicContact CE-CE2 4.26Å; M77-F84 HydrophobicContact CE-CG 4.13Å; M77-F84 HydrophobicContact SD-CD2 4.11Å; M77-F84 HydrophobicContact SD-CE2 4.28Å; F84-I86 PolarHBondContact O-N 3.18Å; F84-A88 HydrophobicContact CD1-CB 4.28Å; F84-A88 HydrophobicContact CE1-CB 3.56Å; F84-A88 HydrophobicContact CZ-CB 4.19Å; F84-L89 HydrophobicContact CD1-CD1 4.45Å; F84-L89 HydrophobicContact CD1-CD2 3.5Å; F84-L89 HydrophobicContact CD1-CG 3.64Å; F84-L89 HydrophobicContact CE1-CD2 3.67Å; F84-L89 HydrophobicContact CE1-CG 4.03Å; F84-L89 HydrophobicContact CG-CD2 4.41Å; F84-I92 HydrophobicContact CE1-CD1 4.13Å; F84-I92 HydrophobicContact CZ-CD1 4.19Å; F84-F124 HydrophobicContact CD2-CD2 4.04Å; F84-F124 HydrophobicContact CD2-CE2 4.29Å; F84-F124 HydrophobicContact CD2-CG 4.4Å; F84-F124 HydrophobicContact CE2-CB 3.84Å; F84-F124 HydrophobicContact CE2-CD1 4.24Å; F84-F124 AromaticContact CE2-CD2 3.74Å; F84-F124 HydrophobicContact CE2-CD2 3.74Å; F84-F124 HydrophobicContact CE2-CE2 4.35Å; F84-F124 AromaticContact CE2-CG 3.68Å; F84-F124 HydrophobicContact CE2-CG 3.68Å; F84-F124 HydrophobicContact CZ-CB 4.48Å
85P81.5Confident80.6Confident4 Ų461.8 Ų61.83%0.02628%0.283CS..  trans-55.9123.2-173.4-16.919.3000112.6I75 R76 M77 E80 T87 A88 L89I75-P85 HydrophobicContact CG2-CG 3.96Å; R76-P85 WeakPolarHBondContact O-CG 3.36Å; M77-P85 WeakPolarHBondContact SD-CD 3.42Å; M77-P85 HydrophobicContact SD-CG 3.83Å; E80-P85 HydrophobicContact CG-CB 3.81Å; E80-P85 HydrophobicContact CG-CG 3.71Å; P85-T87 PolarHBondContact O-N 3.47Å; P85-T87 VanDerWaalsContact O-N 3.15Å; P85-A88 HydrophobicContact CB-CB 4.02Å; P85-A88 HydrophobicContact CG-CB 4.35Å; P85-A88 WeakPolarHBondContact O-CB 3.42Å; P85-A88 PolarHBondContact O-N 2.97Å; P85-L89 PolarHBondContact O-N 3.03Å; P85-L89 VanDerWaalsContact O-N 3.08Å
86I80.3Confident80.7Confident113 Ų11365.4 Ų65.458%0.57930%0.299SS*.Hα-helixtrans-59.3-29.5178.2-169.7170.6000112.2F84 R90F84-I86 PolarHBondContact O-N 3.18Å; I86-R90 WeakPolarHBondContact O-CB 3.21Å; I86-R90 PolarHBondContact O-N 3.49Å; I86-R90 VanDerWaalsContact O-N 3.1Å
87T82.5Confident81.1Confident51 Ų5165.6 Ų65.631%0.31331%0.311SS..Hα-helixtrans-64.9-42.1174.2490000111.4P85 R90 E91P85-T87 PolarHBondContact O-N 3.47Å; P85-T87 VanDerWaalsContact O-N 3.15Å; T87-R90 PolarHBondContact O-N 2.92Å; T87-E91 WeakPolarHBondContact O-CB 3.41Å; T87-E91 PolarHBondContact O-N 3.17Å
88A86.1Confident81.8Confident5 Ų565.1 Ų65.14%0.04131%0.309CS..Hα-helixtrans-69-4317700000112.1I75 F84 P85 R90 E91 I92I75-A88 HydrophobicContact CD1-CB 4.26Å; I75-A88 HydrophobicContact CG2-CB 3.8Å; F84-A88 HydrophobicContact CD1-CB 4.28Å; F84-A88 HydrophobicContact CE1-CB 3.56Å; F84-A88 HydrophobicContact CZ-CB 4.19Å; P85-A88 HydrophobicContact CB-CB 4.02Å; P85-A88 HydrophobicContact CG-CB 4.35Å; P85-A88 WeakPolarHBondContact O-CB 3.42Å; P85-A88 PolarHBondContact O-N 2.97Å; A88-R90 VanDerWaalsContact C-N 3.26Å; A88-R90 PolarHBondContact O-N 3.43Å; A88-E91 PolarHBondContact O-N 2.94Å; A88-I92 WeakPolarHBondContact O-CD1 3.16Å; A88-I92 VanDerWaalsContact O-CG1 3.26Å; A88-I92 WeakPolarHBondContact O-CG1 3.38Å; A88-I92 PolarHBondContact O-N 3.23Å
89L85.7Confident83Confident19 Ų1966.5 Ų66.510%0.09932%0.32CS..Hα-helixtrans-58.4-40.8174.3-65.8177.1000111.7L32 I35 F84 P85 R93L32-L89 HydrophobicContact CD2-CD2 4.18Å; I35-L89 HydrophobicContact CD1-CD2 3.89Å; F84-L89 HydrophobicContact CD1-CD1 4.45Å; F84-L89 HydrophobicContact CD1-CD2 3.5Å; F84-L89 HydrophobicContact CD1-CG 3.64Å; F84-L89 HydrophobicContact CE1-CD2 3.67Å; F84-L89 HydrophobicContact CE1-CG 4.03Å; F84-L89 HydrophobicContact CG-CD2 4.41Å; P85-L89 PolarHBondContact O-N 3.03Å; P85-L89 VanDerWaalsContact O-N 3.08Å; L89-R93 WeakPolarHBondContact O-CG 3.49Å; L89-R93 PolarHBondContact O-N 3.44Å
90R86.3Confident84.6Confident69 Ų6960.8 Ų60.826%0.2629%0.293SS..Hα-helixtrans-65.4-47.2176.8-172.9-173.2-53.21429.9111.8I86 T87 A88 I92 R93 I94 A194I86-R90 WeakPolarHBondContact O-CB 3.21Å; I86-R90 PolarHBondContact O-N 3.49Å; I86-R90 VanDerWaalsContact O-N 3.1Å; T87-R90 PolarHBondContact O-N 2.92Å; A88-R90 VanDerWaalsContact C-N 3.26Å; A88-R90 PolarHBondContact O-N 3.43Å; R90-I92 VanDerWaalsContact C-N 3.3Å; R90-I92 PolarHBondContact O-N 3.33Å; R90-R93 PolarHBondContact O-N 2.91Å; R90-I94 HydrophobicContact CG-CD1 3.93Å; R90-I94 WeakPolarHBondContact O-CG1 3.49Å; R90-I94 PolarHBondContact O-N 3.47Å; R90-A194 WeakPolarHBondContact CD-O 3.22Å
91E91.6Very high86Confident9 Ų962.7 Ų62.74%0.04230%0.302CS..Hα-helixtrans-55.8-47.3176.4178.2173.1-169.800110.5K73 T87 A88 I94 L95 L126 F191K73-E91 IonicContact NZ-OE1 2.75Å; K73-E91 PolarHBondContact NZ-OE1 3.27Å; K73-E91 IonicContact NZ-OE2 2.78Å; K73-E91 PolarHBondContact NZ-OE2 2.84Å; K73-E91 VanDerWaalsContact NZ-OE2 3.16Å; T87-E91 WeakPolarHBondContact O-CB 3.41Å; T87-E91 PolarHBondContact O-N 3.17Å; A88-E91 PolarHBondContact O-N 2.94Å; E91-I94 PolarHBondContact O-N 2.84Å; E91-L95 HydrophobicContact CG-CD1 3.68Å; E91-L95 HydrophobicContact CG-CG 4.49Å; E91-L95 WeakPolarHBondContact O-CB 3.42Å; E91-L95 WeakPolarHBondContact O-CD1 3.42Å; E91-L95 VanDerWaalsContact O-CG 3.31Å; E91-L95 WeakPolarHBondContact O-CG 3.46Å; E91-L95 PolarHBondContact O-N 3.03Å; E91-L126 HydrophobicContact CG-CD1 4.46Å; E91-F191 HydrophobicContact CG-CB 4.07Å
92I91.2Very high87.7Confident0 Ų053 Ų530%026%0.26CS..Hα-helixtrans-58.3-52.6176.8-69.2158.7000111.3L32 I35 F84 A88 R90 I94 L95 Q96 L106 I109 L126L32-I92 HydrophobicContact CD2-CD1 3.68Å; I35-I92 HydrophobicContact CG2-CG2 3.95Å; F84-I92 HydrophobicContact CE1-CD1 4.13Å; F84-I92 HydrophobicContact CZ-CD1 4.19Å; A88-I92 WeakPolarHBondContact O-CD1 3.16Å; A88-I92 VanDerWaalsContact O-CG1 3.26Å; A88-I92 WeakPolarHBondContact O-CG1 3.38Å; A88-I92 PolarHBondContact O-N 3.23Å; R90-I92 VanDerWaalsContact C-N 3.3Å; R90-I92 PolarHBondContact O-N 3.33Å; I92-I94 VanDerWaalsContact C-N 3.32Å; I92-I94 PolarHBondContact O-N 3.47Å; I92-L95 PolarHBondContact O-N 3.43Å; I92-Q96 HydrophobicContact CG2-CG 4.32Å; I92-Q96 WeakPolarHBondContact O-CB 3.26Å; I92-Q96 WeakPolarHBondContact O-CG 3.42Å; I92-Q96 PolarHBondContact O-N 3.1Å; I92-L106 HydrophobicContact CG2-CD2 4.37Å; I92-I109 HydrophobicContact CD1-CD1 3.86Å; I92-I109 HydrophobicContact CG1-CD1 4.02Å; I92-I109 HydrophobicContact CG2-CD1 3.64Å; I92-L126 HydrophobicContact CD1-CD2 3.98Å; I92-L126 HydrophobicContact CG1-CD1 4.5Å; I92-L126 HydrophobicContact CG1-CD2 3.65Å
93R90.1Very high89.3Confident146 Ų14644.4 Ų44.455%0.55122%0.22SC*.Hα-helixtrans-59.8-42.4-178.5-75178.6-178176.14112.2I35 L89 R90 S97I35-R93 HydrophobicContact CD1-CG 4.18Å; I35-R93 VanDerWaalsContact CD1-NE 3.33Å; I35-R93 HydrophobicContact CG2-CG 3.93Å; L89-R93 WeakPolarHBondContact O-CG 3.49Å; L89-R93 PolarHBondContact O-N 3.44Å; R90-R93 PolarHBondContact O-N 2.91Å; R93-S97 PolarHBondContact O-N 3.39Å
94I90.2Very high90.5Very high5 Ų544.7 Ų44.73%0.02622%0.221CC..Hα-helixtrans-63.3-52.8176.9-70.2172.6000109.3R90 E91 I92 Q96 S97 L98 V168 F191 A194R90-I94 HydrophobicContact CG-CD1 3.93Å; R90-I94 WeakPolarHBondContact O-CG1 3.49Å; R90-I94 PolarHBondContact O-N 3.47Å; E91-I94 PolarHBondContact O-N 2.84Å; I92-I94 VanDerWaalsContact C-N 3.32Å; I92-I94 PolarHBondContact O-N 3.47Å; I94-Q96 VanDerWaalsContact C-N 3.31Å; I94-Q96 PolarHBondContact O-N 3.25Å; I94-S97 PolarHBondContact O-N 2.91Å; I94-S97 PolarHBondContact O-OG 2.8Å; I94-L98 HydrophobicContact CG2-CD1 3.68Å; I94-L98 HydrophobicContact CG2-CG 4.41Å; I94-L98 VanDerWaalsContact O-CG 3.3Å; I94-L98 WeakPolarHBondContact O-CG 3.25Å; I94-L98 PolarHBondContact O-N 3.31Å; I94-V168 HydrophobicContact CG2-CG1 3.89Å; I94-V168 HydrophobicContact CG2-CG2 4.26Å; I94-F191 HydrophobicContact CG2-CD1 3.82Å; I94-F191 HydrophobicContact CG2-CE1 4.43Å; I94-A194 HydrophobicContact CD1-CB 3.8Å; I94-A194 HydrophobicContact CG2-CB 4.39Å
95L94.3Very high91.3Very high5 Ų545.9 Ų45.93%0.02623%0.231CC..Hα-helixtrans-60.5-37.5-177.8-75.3164.8000113.1E91 I92 S97 L98 V104 L106 F128 F191E91-L95 HydrophobicContact CG-CD1 3.68Å; E91-L95 HydrophobicContact CG-CG 4.49Å; E91-L95 WeakPolarHBondContact O-CB 3.42Å; E91-L95 WeakPolarHBondContact O-CD1 3.42Å; E91-L95 VanDerWaalsContact O-CG 3.31Å; E91-L95 WeakPolarHBondContact O-CG 3.46Å; E91-L95 PolarHBondContact O-N 3.03Å; I92-L95 PolarHBondContact O-N 3.43Å; L95-S97 VanDerWaalsContact C-N 3.26Å; L95-S97 PolarHBondContact O-N 3.44Å; L95-L98 PolarHBondContact O-N 3.46Å; L95-V104 HydrophobicContact CD2-CG1 4.05Å; L95-L106 HydrophobicContact CB-CB 3.95Å; L95-L106 HydrophobicContact CB-CD2 4.07Å; L95-L106 HydrophobicContact CD1-CB 4.36Å; L95-L106 HydrophobicContact CD1-CD2 4.41Å; L95-F128 HydrophobicContact CD1-CE1 3.66Å; L95-F128 HydrophobicContact CD1-CZ 3.82Å; L95-F128 HydrophobicContact CD2-CE1 4.35Å; L95-F191 HydrophobicContact CD2-CB 4.3Å; L95-F191 HydrophobicContact CD2-CD2 3.61Å; L95-F191 HydrophobicContact CD2-CE2 4.11Å; L95-F191 HydrophobicContact CD2-CG 3.95Å; L95-F191 HydrophobicContact CG-CB 4.21Å; L95-F191 HydrophobicContact CG-CD2 4.43Å; L95-F191 HydrophobicContact CG-CG 4.34Å
96Q91.8Very high92Very high88 Ų8846.9 Ų46.941%0.41124%0.236SC..Hα-helixtrans-67.3-25.5175.3-73.9177.6-43.600113.5I35 I92 I94 L98 L106I35-Q96 PolarHBondContact O-NE2 3.32Å; I92-Q96 HydrophobicContact CG2-CG 4.32Å; I92-Q96 WeakPolarHBondContact O-CB 3.26Å; I92-Q96 WeakPolarHBondContact O-CG 3.42Å; I92-Q96 PolarHBondContact O-N 3.1Å; I94-Q96 VanDerWaalsContact C-N 3.31Å; I94-Q96 PolarHBondContact O-N 3.25Å; Q96-L98 VanDerWaalsContact C-N 3.33Å; Q96-L106 HydrophobicContact CG-CD2 4.31Å
97S90.2Very high92.7Very high72 Ų7246.3 Ų46.350%0.50323%0.229SC..Hα-helixtrans-84.1-7.9176.973.50000113.7R93 I94 L95R93-S97 PolarHBondContact O-N 3.39Å; I94-S97 PolarHBondContact O-N 2.91Å; I94-S97 PolarHBondContact O-OG 2.8Å; L95-S97 VanDerWaalsContact C-N 3.26Å; L95-S97 PolarHBondContact O-N 3.44Å
98L94.7Very high93.2Very high17 Ų1745.4 Ų45.49%0.08922%0.221CC..  trans-107.9131.9-175.2-61.9172.7000110.8I94 L95 Q96 I103 Y162 L163 N166 V168 F191I94-L98 HydrophobicContact CG2-CD1 3.68Å; I94-L98 HydrophobicContact CG2-CG 4.41Å; I94-L98 VanDerWaalsContact O-CG 3.3Å; I94-L98 WeakPolarHBondContact O-CG 3.25Å; I94-L98 PolarHBondContact O-N 3.31Å; L95-L98 PolarHBondContact O-N 3.46Å; Q96-L98 VanDerWaalsContact C-N 3.33Å; L98-I103 HydrophobicContact CB-CG2 4.3Å; L98-I103 HydrophobicContact CD1-CG2 4.21Å; L98-Y162 HydrophobicContact CB-CE1 4.17Å; L98-Y162 HydrophobicContact CD2-CD1 4.46Å; L98-Y162 HydrophobicContact CD2-CE1 3.68Å; L98-Y162 HydrophobicContact CG-CE1 4.49Å; L98-L163 HydrophobicContact CD1-CD2 3.57Å; L98-L163 HydrophobicContact CD2-CD2 3.98Å; L98-L163 HydrophobicContact CG-CD2 4.4Å; L98-N166 HydrophobicContact CD2-CB 4.11Å; L98-V168 HydrophobicContact CD2-CG2 4.19Å; L98-F191 HydrophobicContact CD1-CD1 4.17Å; L98-F191 HydrophobicContact CD1-CE1 3.63Å; L98-F191 HydrophobicContact CD1-CZ 4.11Å
99N95.5Very high93.6Very high140 Ų14045.2 Ų45.275%0.74922%0.22SC*.  trans-144.898174.7-177.929000109.9Y162N99-Y162 PolarHBondContact N-OH 2.76Å; N99-Y162 PolarHBondContact O-OH 3.03Å
100H98.2Very high94Very high46 Ų4644.3 Ų44.321%0.21322%0.215CC..  trans-156.2147.5-178.6-175.5-92000110.2N102 I103 Y162H100-N102 PolarHBondContact CE1-OD1 3.03Å; H100-N102 PolarHBondContact ND1-N 3.2Å; H100-N102 PolarHBondContact O-N 3.05Å; H100-I103 HydrophobicContact CB-CB 4.41Å; H100-I103 HydrophobicContact CB-CG1 3.91Å; H100-I103 PolarHBondContact O-N 3.4Å; H100-I103 VanDerWaalsContact O-N 3.14Å; H100-Y162 HydrophobicContact CB-CD1 3.47Å; H100-Y162 VanDerWaalsContact CB-CD1 3.47Å; H100-Y162 HydrophobicContact CB-CD2 3.91Å; H100-Y162 HydrophobicContact CB-CE1 3.5Å; H100-Y162 HydrophobicContact CB-CE2 3.96Å; H100-Y162 HydrophobicContact CB-CG 3.68Å; H100-Y162 AromaticContact CD2-CD2 3.56Å; H100-Y162 AromaticContact CD2-CG 3.63Å; H100-Y162 AromaticContact CG-CD1 3.86Å; H100-Y162 AromaticContact CG-CD2 3.9Å; H100-Y162 AromaticContact CG-CG 3.61Å
101E98Very high94.3Very high116 Ų11642.2 Ų42.254%0.54221%0.208SC..THydrogen-bonded Turntrans-58.4-38.4-175.865.1178.8114.600112.6I103 I185 K187E101-I103 VanDerWaalsContact C-N 3.32Å; E101-I103 PolarHBondContact O-N 2.94Å; E101-I185 HydrophobicContact CB-CG2 4.35Å; E101-I185 WeakPolarHBondContact O-CG2 3.49Å; E101-K187 WeakPolarHBondContact O-CG 3.07Å; E101-K187 PolarHBondContact O-NZ 3.42Å
102N98.6Very high94.2Very high3 Ų342.6 Ų42.62%0.01621%0.212CC..THydrogen-bonded Turntrans-87.913.6-178.7-54122.4000115.4H100 Q155 L186 K187 I188H100-N102 PolarHBondContact CE1-OD1 3.03Å; H100-N102 PolarHBondContact ND1-N 3.2Å; H100-N102 PolarHBondContact O-N 3.05Å; N102-Q155 PolarHBondContact ND2-OE1 3.42Å; N102-Q155 VanDerWaalsContact ND2-OE1 3.1Å; N102-Q155 PolarHBondContact OD1-O 3.02Å; N102-L186 WeakPolarHBondContact CA-O 3.36Å; N102-L186 WeakPolarHBondContact CB-O 3.38Å; N102-L186 PolarHBondContact ND2-O 3.38Å; N102-K187 CarbonylContact O-C 3.45Å; N102-K187 WeakPolarHBondContact O-CA 3.36Å; N102-I188 PolarHBondContact O-N 2.98Å
103I98.4Very high93.9Very high4 Ų446.1 Ų46.12%0.02124%0.235CC..BIsolated β-bridgetrans-120.5139.1174.9-54.2-59.8000108.8L98 H100 E101 C105 Y162 L163 I188 F191L98-I103 HydrophobicContact CB-CG2 4.3Å; L98-I103 HydrophobicContact CD1-CG2 4.21Å; H100-I103 HydrophobicContact CB-CB 4.41Å; H100-I103 HydrophobicContact CB-CG1 3.91Å; H100-I103 PolarHBondContact O-N 3.4Å; H100-I103 VanDerWaalsContact O-N 3.14Å; E101-I103 VanDerWaalsContact C-N 3.32Å; E101-I103 PolarHBondContact O-N 2.94Å; I103-C105 PolarHBondContact O-N 2.91Å; I103-Y162 HydrophobicContact CG1-CD1 3.84Å; I103-Y162 HydrophobicContact CG1-CE1 4.24Å; I103-L163 HydrophobicContact CD1-CD1 3.98Å; I103-L163 HydrophobicContact CD1-CD2 3.71Å; I103-L163 HydrophobicContact CD1-CG 3.67Å; I103-L163 HydrophobicContact CG1-CD2 4.26Å; I103-I188 HydrophobicContact CD1-CB 4.05Å; I103-I188 HydrophobicContact CD1-CD1 4.02Å; I103-I188 HydrophobicContact CD1-CG1 4.37Å; I103-F191 HydrophobicContact CD1-CZ 4.38Å; I103-F191 HydrophobicContact CG2-CE2 3.93Å; I103-F191 HydrophobicContact CG2-CZ 3.68Å
104V97.1Very high93.5Very high10 Ų1040.9 Ų40.96%0.06122%0.22CC..  trans-62.9129.9177.5720000111.2L95 F128 E129 I188 A189 F191L95-V104 HydrophobicContact CD2-CG1 4.05Å; V104-F128 HydrophobicContact CG1-CD1 4.16Å; V104-F128 HydrophobicContact CG1-CE1 4.18Å; V104-F128 HydrophobicContact CG2-CB 4.05Å; V104-F128 HydrophobicContact CG2-CD1 3.75Å; V104-F128 HydrophobicContact CG2-CG 4.18Å; V104-E129 HydrophobicContact CG2-CG 4.31Å; V104-I188 PolarHBondContact N-O 3.35Å; V104-A189 HydrophobicContact CB-CB 4.17Å; V104-A189 HydrophobicContact CG1-CB 4.06Å; V104-F191 HydrophobicContact CG1-CD2 4.36Å; V104-F191 HydrophobicContact CG1-CE2 4.22Å
105C95.7Very high93.1Very high41 Ų4143.6 Ų43.628%0.27723%0.234SC..  trans-89.7118.2-179-176.50000111.8I103 K107 F128 E129I103-C105 PolarHBondContact O-N 2.91Å; C105-K107 PolarHBondContact O-N 3.45Å; C105-K107 PolarHBondContact SG-NZ 2.95Å; C105-F128 WeakPolarHBondContact O-CA 3.42Å; C105-E129 WeakPolarHBondContact CB-OE1 3.49Å; C105-E129 PolarHBondContact N-OE1 3.48Å; C105-E129 PolarHBondContact O-N 3.03Å
106L95.8Very high92.5Very high25 Ų2547 Ų4713%0.13126%0.263CS..EExtended strand (participates in β ladder)trans-72.2111.2166.3178.864.5000109.1I92 L95 Q96 L126 F128I92-L106 HydrophobicContact CG2-CD2 4.37Å; L95-L106 HydrophobicContact CB-CB 3.95Å; L95-L106 HydrophobicContact CB-CD2 4.07Å; L95-L106 HydrophobicContact CD1-CB 4.36Å; L95-L106 HydrophobicContact CD1-CD2 4.41Å; Q96-L106 HydrophobicContact CG-CD2 4.31Å; L106-L126 HydrophobicContact CD1-CB 3.81Å; L106-L126 HydrophobicContact CD1-CD2 4.09Å; L106-L126 HydrophobicContact CD1-CG 4.42Å; L106-F128 HydrophobicContact CB-CD1 4.33Å; L106-F128 HydrophobicContact CB-CE1 4.03Å; L106-F128 HydrophobicContact CD1-CD1 4.38Å; L106-F128 HydrophobicContact CD1-CE1 3.97Å; L106-F128 HydrophobicContact CD1-CZ 4.08Å
107K94.8Very high91.8Very high102 Ų10246.5 Ų46.544%0.44328%0.282SS..EExtended strand (participates in β ladder)trans-83-45.4-177.1-63.2-61-177.8-167.60112.3F70 C105 V127F70-K107 HydrophobicContact CD1-CG 4.28Å; F70-K107 HydrophobicContact CE1-CG 4.08Å; C105-K107 PolarHBondContact O-N 3.45Å; C105-K107 PolarHBondContact SG-NZ 2.95Å; K107-V127 HydrophobicContact CB-CG1 4.39Å; K107-V127 PolarHBondContact N-O 3.1Å
108E93.5Very high91.2Very high31 Ų3143.8 Ų43.815%0.14526%0.262CS..EExtended strand (participates in β ladder)trans-164.1168.3179.155.3-178.566.100111.6K39 Q43 Y44 C110 V127K39-E108 WeakPolarHBondContact CD-OE2 3.43Å; K39-E108 IonicContact NZ-OE1 3.03Å; K39-E108 PolarHBondContact NZ-OE1 3.22Å; K39-E108 IonicContact NZ-OE2 3.82Å; Q43-E108 PolarHBondContact NE2-OE2 3.14Å; Y44-E108 PolarHBondContact OH-OE1 3.27Å; Y44-E108 PolarHBondContact OH-OE2 2.98Å; E108-C110 PolarHBondContact OE2-SG 3.5Å; E108-V127 HydrophobicContact CG-CB 3.73Å; E108-V127 HydrophobicContact CG-CG1 4.25Å; E108-V127 HydrophobicContact CG-CG2 3.78Å; E108-V127 PolarHBondContact N-O 3.45Å; E108-V127 WeakPolarHBondContact O-CB 3.47Å; E108-V127 PolarHBondContact O-N 3.35Å
109I93.7Very high90.4Very high1 Ų145.1 Ų45.11%0.00528%0.279CS..EExtended strand (participates in β ladder)trans-111.4127.2173.8-53178.7000107.4L32 T38 K39 I92 Y125 L126L32-I109 HydrophobicContact CD1-CG2 4.21Å; L32-I109 HydrophobicContact CD2-CD1 4.12Å; T38-I109 CarbonylContact C-O 3.5Å; T38-I109 VanDerWaalsContact CA-O 3.25Å; T38-I109 WeakPolarHBondContact CA-O 3.47Å; T38-I109 HydrophobicContact CG2-CB 4.41Å; T38-I109 HydrophobicContact CG2-CG2 4.08Å; K39-I109 PolarHBondContact N-O 3.3Å; I92-I109 HydrophobicContact CD1-CD1 3.86Å; I92-I109 HydrophobicContact CG1-CD1 4.02Å; I92-I109 HydrophobicContact CG2-CD1 3.64Å; I109-Y125 CarbonylContact C-O 3.27Å; I109-Y125 WeakPolarHBondContact CA-O 3.39Å; I109-L126 HydrophobicContact CD1-CD2 4.49Å; I109-L126 HydrophobicContact CG1-CD2 4.07Å; I109-L126 HydrophobicContact CG2-CD2 4.38Å
110C94.3Very high89.5Confident0 Ų041.1 Ų41.10%026%0.255CS..EExtended strand (participates in β ladder)trans-111.9155.4-179.8-69.30000111.9K39 V41 E108 F124 Y125 V127K39-C110 CarbonylContact O-C 3.56Å; K39-C110 WeakPolarHBondContact O-CA 3.41Å; V41-C110 HydrophobicContact CB-CB 3.89Å; V41-C110 HydrophobicContact CG2-CB 4.02Å; E108-C110 PolarHBondContact OE2-SG 3.5Å; C110-F124 CarbonylContact O-C 3.59Å; C110-F124 WeakPolarHBondContact O-CA 3.44Å; C110-Y125 HydrophobicContact CB-CD2 4.4Å; C110-Y125 PolarHBondContact N-O 3.34Å; C110-Y125 PolarHBondContact O-N 3.43Å; C110-V127 HydrophobicContact CB-CG2 4.36Å; C110-V127 VanDerWaalsContact SG-CG2 3.53Å
111H92Very high88.5Confident25 Ų2543.1 Ų43.112%0.11626%0.264CS..EExtended strand (participates in β ladder)trans-129.8158173.168.6-110.3000112.2F25 T38 K39 V41 Q123 F124F25-H111 HydrophobicContact CE2-CB 3.99Å; F25-H111 HydrophobicContact CZ-CB 4.33Å; F25-H111 AromaticContact CZ-CD2 3.74Å; F25-H111 AromaticContact CZ-CG 3.91Å; T38-H111 PolarHBondContact OG1-CE1 2.87Å; T38-H111 PolarHBondContact OG1-ND1 3.49Å; K39-H111 PolarHBondContact O-N 3.1Å; V41-H111 WeakPolarHBondContact CB-O 3.39Å; V41-H111 WeakPolarHBondContact CG1-O 3.48Å; V41-H111 PolarHBondContact N-O 2.97Å; H111-Q123 CarbonylContact C-O 3.42Å; H111-Q123 VanDerWaalsContact CA-O 3.26Å; H111-Q123 WeakPolarHBondContact CA-O 3.46Å; H111-F124 HydrophobicContact CB-CD1 3.86Å; H111-F124 HydrophobicContact CB-CE1 3.87Å
112S89.9Confident87.8Confident18 Ų1837.9 Ų37.913%0.12624%0.239CC..EExtended strand (participates in β ladder)trans-128.2126.5165.4-177.50000108.4P122 Q123S112-P122 WeakPolarHBondContact O-CA 3.21Å; S112-Q123 PolarHBondContact N-O 3.32Å; S112-Q123 PolarHBondContact O-N 3.21Å
113P84.3Confident87.3Confident74 Ų7439.4 Ų39.448%0.48125%0.246SC..  trans-66.3160.8178.628.9-35.2000111N115 N118P113-N115 PolarHBondContact O-N 2.99Å; P113-N115 PolarHBondContact O-ND2 3.44Å; P113-N118 PolarHBondContact O-ND2 3.1Å
114P81.9Confident87Confident36 Ų3639.2 Ų39.223%0.23425%0.245CC..  trans-47.4127.7170.6-29.537.4000112.7F120 P122P114-F120 WeakPolarHBondContact CB-O 3.49Å; P114-P122 HydrophobicContact CG-CB 4.44Å
115N83.4Confident86.8Confident61 Ų6138.8 Ų38.833%0.32624%0.243SC..  trans-153.6167.5173.962.466.5000111.6P113 G117 N118 G119 F120P113-N115 PolarHBondContact O-N 2.99Å; P113-N115 PolarHBondContact O-ND2 3.44Å; N115-G117 PolarHBondContact O-N 2.85Å; N115-G117 VanDerWaalsContact O-N 3.13Å; N115-G117 WeakPolarHBondContact OD1-CA 3.21Å; N115-G117 PolarHBondContact OD1-N 2.83Å; N115-N118 PolarHBondContact N-OD1 2.92Å; N115-N118 PolarHBondContact ND2-ND2 3.32Å; N115-N118 VanDerWaalsContact ND2-ND2 3.13Å; N115-N118 PolarHBondContact O-N 2.69Å; N115-N118 VanDerWaalsContact O-N 3.12Å; N115-N118 PolarHBondContact O-OD1 3.25Å; N115-N118 PolarHBondContact OD1-N 2.67Å; N115-N118 VanDerWaalsContact OD1-N 3.12Å; N115-G119 PolarHBondContact O-N 3.16Å; N115-F120 WeakPolarHBondContact O-CA 3.18Å; N115-F120 PolarHBondContact O-N 3.44Å
116A80.4Confident86.8Confident78 Ų7836.9 Ų36.965%0.64523%0.23SC*.G310 helixtrans-56.5-34.2-178.900000113.1N118 G119 F120A116-N118 VanDerWaalsContact C-N 3.34Å; A116-N118 PolarHBondContact O-N 3.21Å; A116-G119 PolarHBondContact O-N 3.24Å; A116-F120 HydrophobicContact CB-CE1 4.41Å; A116-F120 HydrophobicContact CB-CE2 4.41Å; A116-F120 HydrophobicContact CB-CZ 3.95Å
117G78Confident86.8Confident77 Ų7735.7 Ų35.779%0.79422%0.223SC*.G310 helixtrans-72.9-19.7-178.900000115N115N115-G117 PolarHBondContact O-N 2.85Å; N115-G117 VanDerWaalsContact O-N 3.13Å; N115-G117 WeakPolarHBondContact OD1-CA 3.21Å; N115-G117 PolarHBondContact OD1-N 2.83Å
118N77.5Confident86.9Confident15 Ų1531.6 Ų31.68%0.0821%0.206CC..G310 helixtrans-10817.817564.324.2000113.2P113 N115 A116 F120 K121 Q123P113-N118 PolarHBondContact O-ND2 3.1Å; N115-N118 PolarHBondContact N-OD1 2.92Å; N115-N118 PolarHBondContact ND2-ND2 3.32Å; N115-N118 VanDerWaalsContact ND2-ND2 3.13Å; N115-N118 PolarHBondContact O-N 2.69Å; N115-N118 VanDerWaalsContact O-N 3.12Å; N115-N118 PolarHBondContact O-OD1 3.25Å; N115-N118 PolarHBondContact OD1-N 2.67Å; N115-N118 VanDerWaalsContact OD1-N 3.12Å; A116-N118 VanDerWaalsContact C-N 3.34Å; A116-N118 PolarHBondContact O-N 3.21Å; N118-F120 VanDerWaalsContact C-N 3.27Å; N118-F120 PolarHBondContact O-N 2.88Å; N118-F120 PolarHBondContact OD1-N 3.18Å; N118-K121 PolarHBondContact ND2-O 2.75Å; N118-K121 PolarHBondContact O-N 3.4Å; N118-K121 PolarHBondContact OD1-N 2.82Å; N118-K121 VanDerWaalsContact OD1-N 3.08Å; N118-K121 PolarHBondContact OD1-O 3.25Å; N118-Q123 HydrophobicContact CB-CG 4.02Å
119G76.9Confident87Confident45 Ų4531.7 Ų31.746%0.46421%0.206SC..THydrogen-bonded Turntrans66.730.8-178.200000112.8N115 A116 K121N115-G119 PolarHBondContact O-N 3.16Å; A116-G119 PolarHBondContact O-N 3.24Å; G119-K121 WeakPolarHBondContact O-CG 3.43Å; G119-K121 PolarHBondContact O-N 2.76Å
120F76.8Confident87.1Confident56 Ų5632.8 Ų32.825%0.24621%0.211CC..THydrogen-bonded Turntrans59.426-174.2-59.7-82.2000113.9L14 Q18 Y21 P114 N115 A116 N118L14-F120 HydrophobicContact CD2-CD2 4Å; L14-F120 HydrophobicContact CD2-CE2 3.62Å; L14-F120 HydrophobicContact CD2-CZ 4.03Å; Q18-F120 HydrophobicContact CG-CB 4.39Å; Q18-F120 HydrophobicContact CG-CD1 3.85Å; Q18-F120 HydrophobicContact CG-CG 4.33Å; Q18-F120 VanDerWaalsContact NE2-CD1 3.27Å; Y21-F120 VanDerWaalsContact CB-O 3.23Å; Y21-F120 WeakPolarHBondContact CB-O 3.17Å; Y21-F120 HydrophobicContact CD2-CB 4.38Å; Y21-F120 WeakPolarHBondContact CD2-O 3.33Å; P114-F120 WeakPolarHBondContact CB-O 3.49Å; N115-F120 WeakPolarHBondContact O-CA 3.18Å; N115-F120 PolarHBondContact O-N 3.44Å; A116-F120 HydrophobicContact CB-CE1 4.41Å; A116-F120 HydrophobicContact CB-CE2 4.41Å; A116-F120 HydrophobicContact CB-CZ 3.95Å; N118-F120 VanDerWaalsContact C-N 3.27Å; N118-F120 PolarHBondContact O-N 2.88Å; N118-F120 PolarHBondContact OD1-N 3.18Å
121K78.4Confident87.2Confident88 Ų8833.1 Ų33.138%0.38321%0.213SC..  trans-109.9137.7178.6-50.7-161.6-176.3-163.40111.2Y21 N118 G119Y21-K121 HydrophobicContact CD1-CB 4.21Å; Y21-K121 HydrophobicContact CD1-CG 4.01Å; Y21-K121 HydrophobicContact CE1-CB 4.19Å; Y21-K121 HydrophobicContact CE1-CD 3.72Å; Y21-K121 HydrophobicContact CE1-CG 3.55Å; Y21-K121 HydrophobicContact CE2-CG 4.18Å; Y21-K121 WeakPolarHBondContact OH-CE 3Å; Y21-K121 PolarHBondContact OH-NZ 3.08Å; N118-K121 PolarHBondContact ND2-O 2.75Å; N118-K121 PolarHBondContact O-N 3.4Å; N118-K121 PolarHBondContact OD1-N 2.82Å; N118-K121 VanDerWaalsContact OD1-N 3.08Å; N118-K121 PolarHBondContact OD1-O 3.25Å; G119-K121 WeakPolarHBondContact O-CG 3.43Å; G119-K121 PolarHBondContact O-N 2.76Å
122P83Confident87.2Confident5 Ų533.5 Ų33.53%0.03222%0.216CC..  trans-62146.3170.928.3-33.6000110.8F24 F25 S112 P114 F124F24-P122 HydrophobicContact CD1-CG 3.83Å; F24-P122 HydrophobicContact CE1-CG 4.44Å; F25-P122 HydrophobicContact CB-CB 3.93Å; F25-P122 HydrophobicContact CB-CG 4.02Å; F25-P122 HydrophobicContact CD2-CB 3.34Å; F25-P122 HydrophobicContact CD2-CG 4.27Å; F25-P122 HydrophobicContact CE2-CB 4.23Å; F25-P122 HydrophobicContact CG-CB 4.04Å; S112-P122 WeakPolarHBondContact O-CA 3.21Å; P114-P122 HydrophobicContact CG-CB 4.44Å; P122-F124 HydrophobicContact CB-CE2 4.35Å
123Q88.8Confident87.5Confident35 Ų3532.6 Ų32.616%0.16421%0.21CC..EExtended strand (participates in β ladder)trans-126.7136.1175.7-62.6-168.6-8.600110.5H111 S112 N118 Y125H111-Q123 CarbonylContact C-O 3.42Å; H111-Q123 VanDerWaalsContact CA-O 3.26Å; H111-Q123 WeakPolarHBondContact CA-O 3.46Å; S112-Q123 PolarHBondContact N-O 3.32Å; S112-Q123 PolarHBondContact O-N 3.21Å; N118-Q123 HydrophobicContact CB-CG 4.02Å; Q123-Y125 HydrophobicContact CB-CE2 3.78Å; Q123-Y125 WeakPolarHBondContact CB-OH 3.45Å; Q123-Y125 PolarHBondContact OE1-OH 2.68Å
124F91Very high88Confident0 Ų029.6 Ų29.60%019%0.19CC..EExtended strand (participates in β ladder)trans-114.7148.6175.8-64.6-87000110.6F25 A28 L32 I75 M77 F84 C110 H111 P122F25-F124 HydrophobicContact CD2-CE1 4.49Å; F25-F124 HydrophobicContact CD2-CE2 4.28Å; F25-F124 AromaticContact CD2-CZ 3.73Å; F25-F124 HydrophobicContact CD2-CZ 3.73Å; F25-F124 HydrophobicContact CE2-CE1 4.1Å; F25-F124 AromaticContact CE2-CZ 3.79Å; F25-F124 HydrophobicContact CE2-CZ 3.79Å; A28-F124 HydrophobicContact CB-CD2 4.43Å; A28-F124 HydrophobicContact CB-CE1 4.47Å; A28-F124 HydrophobicContact CB-CE2 3.41Å; A28-F124 VanDerWaalsContact CB-CE2 3.41Å; A28-F124 HydrophobicContact CB-CZ 3.44Å; A28-F124 VanDerWaalsContact CB-CZ 3.44Å; L32-F124 HydrophobicContact CD1-CD1 3.39Å; L32-F124 HydrophobicContact CD1-CE1 3.5Å; L32-F124 VanDerWaalsContact CD1-CE1 3.5Å; L32-F124 HydrophobicContact CD1-CG 4.18Å; L32-F124 HydrophobicContact CD1-CZ 4.36Å; I75-F124 HydrophobicContact CB-CB 4.47Å; I75-F124 HydrophobicContact CD1-CB 4Å; I75-F124 PolarHBondContact N-O 2.87Å; M77-F124 HydrophobicContact CE-CD2 4.22Å; M77-F124 HydrophobicContact SD-CD2 4.43Å; F84-F124 HydrophobicContact CD2-CD2 4.04Å; F84-F124 HydrophobicContact CD2-CE2 4.29Å; F84-F124 HydrophobicContact CD2-CG 4.4Å; F84-F124 HydrophobicContact CE2-CB 3.84Å; F84-F124 HydrophobicContact CE2-CD1 4.24Å; F84-F124 AromaticContact CE2-CD2 3.74Å; F84-F124 HydrophobicContact CE2-CD2 3.74Å; F84-F124 HydrophobicContact CE2-CE2 4.35Å; F84-F124 AromaticContact CE2-CG 3.68Å; F84-F124 HydrophobicContact CE2-CG 3.68Å; F84-F124 HydrophobicContact CZ-CB 4.48Å; C110-F124 CarbonylContact O-C 3.59Å; C110-F124 WeakPolarHBondContact O-CA 3.44Å; H111-F124 HydrophobicContact CB-CD1 3.86Å; H111-F124 HydrophobicContact CB-CE1 3.87Å; P122-F124 HydrophobicContact CB-CE2 4.35Å
125Y93.8Very high88.6Confident1 Ų128 Ų280%0.00418%0.179CC..EExtended strand (participates in β ladder)trans-140.7145.1-175.1-48.4-95.8000111.2V41 R46 L72 K73 R74 I109 C110 Q123V41-Y125 HydrophobicContact CB-CD2 4.11Å; V41-Y125 HydrophobicContact CB-CE2 4.12Å; V41-Y125 HydrophobicContact CG1-CD2 4.5Å; V41-Y125 HydrophobicContact CG1-CE2 4.01Å; V41-Y125 HydrophobicContact CG2-CD2 3.85Å; V41-Y125 HydrophobicContact CG2-CE2 4.03Å; V41-Y125 HydrophobicContact CG2-CG 4.3Å; R46-Y125 VanDerWaalsContact NH2-CZ 3.27Å; R46-Y125 PolarHBondContact NH2-OH 2.98Å; L72-Y125 VanDerWaalsContact CD1-CB 3.43Å; L72-Y125 HydrophobicContact CD1-CD1 4.31Å; L72-Y125 HydrophobicContact CD1-CG 4Å; L72-Y125 HydrophobicContact CD2-CD1 3.73Å; L72-Y125 HydrophobicContact CD2-CE1 4.22Å; L72-Y125 HydrophobicContact CD2-CG 4.11Å; L72-Y125 HydrophobicContact CG-CD1 3.84Å; L72-Y125 HydrophobicContact CG-CG 4.05Å; K73-Y125 CarbonylContact O-C 3.58Å; K73-Y125 VanDerWaalsContact O-CA 3.26Å; K73-Y125 WeakPolarHBondContact O-CA 3.48Å; R74-Y125 HydrophobicContact CB-CD1 3.8Å; R74-Y125 HydrophobicContact CB-CE1 3.85Å; R74-Y125 HydrophobicContact CG-CD1 3.97Å; R74-Y125 HydrophobicContact CG-CE1 3.67Å; I109-Y125 CarbonylContact C-O 3.27Å; I109-Y125 WeakPolarHBondContact CA-O 3.39Å; C110-Y125 HydrophobicContact CB-CD2 4.4Å; C110-Y125 PolarHBondContact N-O 3.34Å; C110-Y125 PolarHBondContact O-N 3.43Å; Q123-Y125 HydrophobicContact CB-CE2 3.78Å; Q123-Y125 WeakPolarHBondContact CB-OH 3.45Å; Q123-Y125 PolarHBondContact OE1-OH 2.68Å
126L94.7Very high89.1Confident1 Ų125.4 Ų25.41%0.00517%0.167CC..EExtended strand (participates in β ladder)trans-100.1126.4169.1-56.3-178.2000108.7L72 K73 I75 E91 I92 L106 I109 F128L72-L126 WeakPolarHBondContact CA-O 3.36Å; K73-L126 HydrophobicContact CB-CB 4.38Å; K73-L126 PolarHBondContact N-O 2.85Å; K73-L126 PolarHBondContact O-N 2.8Å; I75-L126 HydrophobicContact CD1-CD2 3.99Å; I75-L126 HydrophobicContact CD1-CG 4.05Å; I75-L126 HydrophobicContact CG1-CG 4.2Å; E91-L126 HydrophobicContact CG-CD1 4.46Å; I92-L126 HydrophobicContact CD1-CD2 3.98Å; I92-L126 HydrophobicContact CG1-CD1 4.5Å; I92-L126 HydrophobicContact CG1-CD2 3.65Å; L106-L126 HydrophobicContact CD1-CB 3.81Å; L106-L126 HydrophobicContact CD1-CD2 4.09Å; L106-L126 HydrophobicContact CD1-CG 4.42Å; I109-L126 HydrophobicContact CD1-CD2 4.49Å; I109-L126 HydrophobicContact CG1-CD2 4.07Å; I109-L126 HydrophobicContact CG2-CD2 4.38Å; L126-F128 HydrophobicContact CB-CD2 4.21Å; L126-F128 HydrophobicContact CB-CE2 3.4Å; L126-F128 HydrophobicContact CB-CZ 3.78Å; L126-F128 HydrophobicContact CD1-CE2 4.21Å; L126-F128 HydrophobicContact CD1-CZ 3.96Å; L126-F128 HydrophobicContact CG-CE2 4.45Å
127V96.3Very high89.6Confident0 Ų021.7 Ų21.70%014%0.136CC..EExtended strand (participates in β ladder)trans-99.3121.3176.5-175.90000109Y44 F70 A71 L72 K107 E108 C110Y44-V127 HydrophobicContact CE1-CG1 4.27Å; Y44-V127 HydrophobicContact CE2-CG2 3.93Å; F70-V127 HydrophobicContact CB-CG1 3.79Å; F70-V127 HydrophobicContact CD1-CG1 3.88Å; F70-V127 HydrophobicContact CG-CG1 3.93Å; A71-V127 WeakPolarHBondContact O-CA 3.5Å; L72-V127 HydrophobicContact CD1-CG2 3.62Å; K107-V127 HydrophobicContact CB-CG1 4.39Å; K107-V127 PolarHBondContact N-O 3.1Å; E108-V127 HydrophobicContact CG-CB 3.73Å; E108-V127 HydrophobicContact CG-CG1 4.25Å; E108-V127 HydrophobicContact CG-CG2 3.78Å; E108-V127 PolarHBondContact N-O 3.45Å; E108-V127 WeakPolarHBondContact O-CB 3.47Å; E108-V127 PolarHBondContact O-N 3.35Å; C110-V127 HydrophobicContact CB-CG2 4.36Å; C110-V127 VanDerWaalsContact SG-CG2 3.53Å
128F97Very high90.3Very high16 Ų1618 Ų187%0.0710%0.098CC..EExtended strand (participates in β ladder)trans-115159.9177.3-61.5-83.8000111F70 A71 K73 L95 V104 C105 L106 L126F70-F128 WeakPolarHBondContact CA-O 3.27Å; F70-F128 VanDerWaalsContact CB-O 3.31Å; F70-F128 WeakPolarHBondContact CB-O 3.35Å; F70-F128 WeakPolarHBondContact CD1-O 3.18Å; A71-F128 HydrophobicContact CB-CB 4.33Å; A71-F128 PolarHBondContact N-O 3.43Å; A71-F128 PolarHBondContact O-N 3.15Å; K73-F128 HydrophobicContact CB-CD2 4.39Å; K73-F128 HydrophobicContact CB-CE2 3.95Å; K73-F128 HydrophobicContact CD-CE2 4.19Å; L95-F128 HydrophobicContact CD1-CE1 3.66Å; L95-F128 HydrophobicContact CD1-CZ 3.82Å; L95-F128 HydrophobicContact CD2-CE1 4.35Å; V104-F128 HydrophobicContact CG1-CD1 4.16Å; V104-F128 HydrophobicContact CG1-CE1 4.18Å; V104-F128 HydrophobicContact CG2-CB 4.05Å; V104-F128 HydrophobicContact CG2-CD1 3.75Å; V104-F128 HydrophobicContact CG2-CG 4.18Å; C105-F128 WeakPolarHBondContact O-CA 3.42Å; L106-F128 HydrophobicContact CB-CD1 4.33Å; L106-F128 HydrophobicContact CB-CE1 4.03Å; L106-F128 HydrophobicContact CD1-CD1 4.38Å; L106-F128 HydrophobicContact CD1-CE1 3.97Å; L106-F128 HydrophobicContact CD1-CZ 4.08Å; L126-F128 HydrophobicContact CB-CD2 4.21Å; L126-F128 HydrophobicContact CB-CE2 3.4Å; L126-F128 HydrophobicContact CB-CZ 3.78Å; L126-F128 HydrophobicContact CD1-CE2 4.21Å; L126-F128 HydrophobicContact CD1-CZ 3.96Å; L126-F128 HydrophobicContact CG-CE2 4.45Å
129E95.6Very high90.9Very high34 Ų3417.6 Ų17.616%0.15910%0.096CC..EExtended strand (participates in β ladder)trans-53.7145.9160.664.6-170.1134.500111.2V104 C105 K187V104-E129 HydrophobicContact CG2-CG 4.31Å; C105-E129 WeakPolarHBondContact CB-OE1 3.49Å; C105-E129 PolarHBondContact N-OE1 3.48Å; C105-E129 PolarHBondContact O-N 3.03Å; E129-K187 HydrophobicContact CG-CD 4.27Å; E129-K187 WeakPolarHBondContact OE1-CD 2.93Å; E129-K187 WeakPolarHBondContact OE1-CE 3.3Å; E129-K187 IonicContact OE1-NZ 3.6Å; E129-K187 PolarHBondContact OE1-NZ 2.89Å; E129-K187 WeakPolarHBondContact OE2-CE 3.25Å; E129-K187 IonicContact OE2-NZ 3.62Å; E129-K187 PolarHBondContact OE2-NZ 3.31Å
130F96Very high91.4Very high23 Ų2319.5 Ų19.510%0.1019%0.093CC..  trans-87.7127.9178-178.4-102.3000110.2I50 K60 H69 D132I50-F130 HydrophobicContact CD1-CD2 4.19Å; I50-F130 HydrophobicContact CD1-CE2 3.76Å; K60-F130 HydrophobicContact CB-CD2 4.44Å; K60-F130 HydrophobicContact CB-CE2 4Å; K60-F130 HydrophobicContact CD-CD2 4.4Å; K60-F130 HydrophobicContact CD-CE1 4.29Å; K60-F130 HydrophobicContact CD-CE2 3.75Å; K60-F130 HydrophobicContact CD-CZ 3.7Å; K60-F130 HydrophobicContact CG-CD2 4.02Å; K60-F130 HydrophobicContact CG-CE2 3.74Å; K60-F130 HydrophobicContact CG-CZ 4.21Å; H69-F130 HydrophobicContact CB-CB 4.23Å; H69-F130 HydrophobicContact CB-CD1 4.44Å; H69-F130 HydrophobicContact CB-CG 4.38Å; F130-D132 HydrophobicContact CE1-CB 4.44Å
131C95.9Very high91.8Very high7 Ų722.3 Ų22.35%0.04711%0.107CC..  trans-107.8137.1168.8-61.40000109.5H133 L179C131-H133 VanDerWaalsContact C-N 3.33Å; C131-L179 HydrophobicContact CB-CB 3.64Å; C131-L179 HydrophobicContact CB-CD1 4.12Å; C131-L179 HydrophobicContact CB-CG 4.43Å
132D92.8Very high92.3Very high33 Ų3320.1 Ų20.118%0.17610%0.099CC..SBendtrans-79.2-20.2-172.6-62.6-94.8000112.7F130 I180 K182 S357 Y358F130-D132 HydrophobicContact CE1-CB 4.44Å; D132-I180 PolarHBondContact N-O 3.31Å; D132-I180 VanDerWaalsContact N-O 3.15Å; D132-K182 WeakPolarHBondContact OD2-CB 3.38Å; D132-K182 PolarHBondContact OD2-N 3.25Å; D132-K182 VanDerWaalsContact OD2-N 3.07Å; D132-S357 CarbonylContact O-C 3.55Å; D132-S357 VanDerWaalsContact O-CA 3.25Å; D132-S357 WeakPolarHBondContact O-CA 3.42Å; D132-S357 WeakPolarHBondContact O-CB 3.42Å; D132-S357 PolarHBondContact O-OG 3.22Å; D132-Y358 PolarHBondContact O-N 2.94Å; D132-Y358 VanDerWaalsContact O-N 3.17Å
133H94.5Very high92.7Very high0 Ų026.3 Ų26.30%013%0.131CC..EExtended strand (participates in β ladder)trans-138.8156.6-173.1-40.5-75.5000111.9C131 L138 L179 I180 S352 T356 Y358C131-H133 VanDerWaalsContact C-N 3.33Å; H133-L138 HydrophobicContact CB-CD1 3.61Å; H133-L138 HydrophobicContact CB-CD2 4.21Å; H133-L138 HydrophobicContact CB-CG 3.85Å; H133-L179 CarbonylContact O-C 3.43Å; H133-L179 WeakPolarHBondContact O-CA 3.3Å; H133-I180 HydrophobicContact CB-CB 4.34Å; H133-I180 PolarHBondContact N-O 3.5Å; H133-I180 VanDerWaalsContact N-O 3.14Å; H133-I180 PolarHBondContact O-N 3.29Å; H133-S352 PolarHBondContact NE2-OG 2.99Å; H133-T356 PolarHBondContact CE1-O 2.91Å; H133-Y358 WeakPolarHBondContact CA-O 2.88Å; H133-Y358 AromaticContact CE1-CD2 3.63Å; H133-Y358 AromaticContact ND1-CD2 3.38Å; H133-Y358 WeakPolarHBondContact ND1-CD2 3.39Å; H133-Y358 AromaticContact ND1-CG 3.95Å; H133-Y358 PolarHBondContact ND1-N 2.89Å
134D95Very high92.9Very high11 Ų1125.2 Ų25.26%0.05913%0.126CC..EExtended strand (participates in β ladder)trans-124.8151.916167.169.9000109.3A136 G137 L138 I178 L179 Y358 L359 E360D134-A136 VanDerWaalsContact C-N 3.26Å; D134-A136 PolarHBondContact O-N 3.43Å; D134-A136 PolarHBondContact OD1-N 3.31Å; D134-G137 PolarHBondContact O-N 2.69Å; D134-G137 PolarHBondContact OD1-N 2.92Å; D134-L138 PolarHBondContact O-N 2.89Å; D134-I178 CarbonylContact C-O 3.58Å; D134-I178 WeakPolarHBondContact CA-O 3.4Å; D134-L179 HydrophobicContact CB-CD2 3.77Å; D134-Y358 PolarHBondContact N-O 3.35Å; D134-Y358 VanDerWaalsContact N-O 3.11Å; D134-L359 HydrophobicContact CB-CD2 4.21Å; D134-L359 WeakPolarHBondContact OD2-CA 2.89Å; D134-L359 WeakPolarHBondContact OD2-CD2 3.44Å; D134-E360 PolarHBondContact OD1-N 3.36Å; D134-E360 PolarHBondContact OD2-N 3.25Å
135L95.4Very high93.1Very high2 Ų229.3 Ų29.31%0.0115%0.151CC..Hα-helixtrans-65.3-31.1-171.7-176.762.2000112.2S139 F144 I152 A175 I178 I242 L246L135-S139 VanDerWaalsContact O-CB 3.29Å; L135-S139 WeakPolarHBondContact O-CB 3.31Å; L135-S139 PolarHBondContact O-N 3.37Å; L135-S139 PolarHBondContact O-OG 3.31Å; L135-F144 HydrophobicContact CD1-CE2 3.83Å; L135-F144 HydrophobicContact CD1-CZ 4Å; L135-I152 HydrophobicContact CD1-CD1 3.87Å; L135-I152 HydrophobicContact CD1-CG2 4.26Å; L135-I152 HydrophobicContact CD2-CG2 4.01Å; L135-A175 HydrophobicContact CB-CB 4.29Å; L135-A175 WeakPolarHBondContact CB-O 3.41Å; L135-A175 HydrophobicContact CD2-CB 4.42Å; L135-A175 HydrophobicContact CG-CB 4.3Å; L135-A175 PolarHBondContact N-O 3.34Å; L135-I178 HydrophobicContact CB-CB 3.93Å; L135-I178 HydrophobicContact CB-CG2 4.21Å; L135-I178 HydrophobicContact CD2-CB 4.25Å; L135-I178 HydrophobicContact CD2-CG1 4.5Å; L135-I178 HydrophobicContact CD2-CG2 4.23Å; L135-I178 PolarHBondContact N-O 3.23Å; L135-I242 HydrophobicContact CD2-CG2 3.59Å; L135-L246 HydrophobicContact CD1-CD2 3.98Å; L135-L246 HydrophobicContact CD2-CD2 4.13Å; L135-L246 HydrophobicContact CG-CD2 4.47Å
136A92.6Very high93.2Very high7 Ų730.6 Ų30.66%0.05816%0.158CC..Hα-helixtrans-65.6-46.3175.600000111.3D134 Q140 A175 A176 E360D134-A136 VanDerWaalsContact C-N 3.26Å; D134-A136 PolarHBondContact O-N 3.43Å; D134-A136 PolarHBondContact OD1-N 3.31Å; A136-Q140 WeakPolarHBondContact O-CG 3.33Å; A136-Q140 PolarHBondContact O-N 2.93Å; A136-A175 HydrophobicContact CB-CB 3.95Å; A136-A175 PolarHBondContact N-O 3.42Å; A136-A176 HydrophobicContact CB-CB 4.12Å; A136-E360 HydrophobicContact CB-CB 4.21Å; A136-E360 HydrophobicContact CB-CG 4.4Å
137G91.8Very high93.3Very high0 Ų032.2 Ų32.20%017%0.168CC..Hα-helixtrans-63.5-41.1175.800000113D134 Q141D134-G137 PolarHBondContact O-N 2.69Å; D134-G137 PolarHBondContact OD1-N 2.92Å; G137-Q141 WeakPolarHBondContact O-CG 3.46Å
138L92.5Very high93.3Very high0 Ų032.8 Ų32.80%017%0.171CC..Hα-helixtrans-66.1-46.4176.6-76166.6000112.4H133 D134 Q140 Q141 I142 F144 I180 F351 Y358H133-L138 HydrophobicContact CB-CD1 3.61Å; H133-L138 HydrophobicContact CB-CD2 4.21Å; H133-L138 HydrophobicContact CB-CG 3.85Å; D134-L138 PolarHBondContact O-N 2.89Å; L138-Q140 PolarHBondContact O-N 3.05Å; L138-Q141 PolarHBondContact O-N 3.08Å; L138-I142 HydrophobicContact CD2-CD1 3.79Å; L138-I142 PolarHBondContact O-N 2.95Å; L138-F144 HydrophobicContact CB-CE1 4.04Å; L138-F144 HydrophobicContact CB-CZ 3.69Å; L138-I180 HydrophobicContact CD1-CD1 3.66Å; L138-I180 HydrophobicContact CD1-CG1 4.46Å; L138-F351 HydrophobicContact CD1-CD2 3.94Å; L138-F351 HydrophobicContact CD1-CE2 4.03Å; L138-F351 HydrophobicContact CD1-CG 4.39Å; L138-F351 HydrophobicContact CD2-CB 4.23Å; L138-F351 HydrophobicContact CD2-CD1 4.16Å; L138-F351 HydrophobicContact CD2-CD2 4.42Å; L138-F351 HydrophobicContact CD2-CG 4.04Å; L138-Y358 HydrophobicContact CD2-CD2 3.57Å; L138-Y358 HydrophobicContact CD2-CG 3.83Å
139S90.4Very high93.3Very high5 Ų533 Ų334%0.03517%0.172CC..Hα-helixtrans-62-28.2-174.8-600000112.8L135 F144L135-S139 VanDerWaalsContact O-CB 3.29Å; L135-S139 WeakPolarHBondContact O-CB 3.31Å; L135-S139 PolarHBondContact O-N 3.37Å; L135-S139 PolarHBondContact O-OG 3.31Å; S139-F144 WeakPolarHBondContact OG-CE2 3.29Å
140Q86.5Confident93.4Very high85 Ų8531.4 Ų31.440%0.39717%0.165SC..THydrogen-bonded Turntrans-77.3-16.9175.8-68.7177.11200114.4A136 L138A136-Q140 WeakPolarHBondContact O-CG 3.33Å; A136-Q140 PolarHBondContact O-N 2.93Å; L138-Q140 PolarHBondContact O-N 3.05Å
141Q86.2Confident93.5Very high115 Ų11530.4 Ų30.454%0.53716%0.161SC..THydrogen-bonded Turntrans-119.6-23.6-170.4-61.8-62-54.300113.4G137 L138 Y358G137-Q141 WeakPolarHBondContact O-CG 3.46Å; L138-Q141 PolarHBondContact O-N 3.08Å; Q141-Y358 HydrophobicContact CB-CD1 4.08Å; Q141-Y358 HydrophobicContact CB-CE1 4.19Å; Q141-Y358 HydrophobicContact CG-CD1 4.14Å
142I89Confident93.7Very high43 Ų4330 Ų3022%0.22116%0.158CC..  trans-132.3136.1-170.9-56.4-178.4000110.4L138 F144 K249 F351 Y358L138-I142 HydrophobicContact CD2-CD1 3.79Å; L138-I142 PolarHBondContact O-N 2.95Å; I142-F144 HydrophobicContact CB-CE1 4.14Å; I142-F144 HydrophobicContact CG2-CD1 4.14Å; I142-F144 HydrophobicContact CG2-CE1 4.22Å; I142-K249 PolarHBondContact O-NZ 2.9Å; I142-F351 HydrophobicContact CD1-CD1 4.08Å; I142-F351 HydrophobicContact CG2-CE1 4.31Å; I142-Y358 HydrophobicContact CD1-CD2 4.12Å; I142-Y358 HydrophobicContact CD1-CE2 3.81Å
143D90.6Very high93.9Very high134 Ų13428.5 Ų28.572%0.71715%0.15SC*.PPolyproline II helixtrans-83.8119.2165.6-69.3-37.2000111.2K249D143-K249 WeakPolarHBondContact OD1-CE 3.22Å; D143-K249 IonicContact OD1-NZ 3.83Å; D143-K249 PolarHBondContact OD1-NZ 2.87Å
144F94.2Very high94.1Very high13 Ų1332.3 Ų32.36%0.05717%0.167CC..PPolyproline II helixtrans-82.1129.6-179.8-55.2-37.6000110.2L135 L138 S139 I142 V148 K149 I152 L246 F351L135-F144 HydrophobicContact CD1-CE2 3.83Å; L135-F144 HydrophobicContact CD1-CZ 4Å; L138-F144 HydrophobicContact CB-CE1 4.04Å; L138-F144 HydrophobicContact CB-CZ 3.69Å; S139-F144 WeakPolarHBondContact OG-CE2 3.29Å; I142-F144 HydrophobicContact CB-CE1 4.14Å; I142-F144 HydrophobicContact CG2-CD1 4.14Å; I142-F144 HydrophobicContact CG2-CE1 4.22Å; F144-V148 HydrophobicContact CB-CB 4.34Å; F144-V148 HydrophobicContact CB-CG1 3.91Å; F144-V148 HydrophobicContact CD1-CG1 3.97Å; F144-V148 HydrophobicContact CG-CG1 4.07Å; F144-K149 HydrophobicContact CB-CG 3.75Å; F144-K149 PolarHBondContact O-NZ 3.36Å; F144-I152 HydrophobicContact CD2-CD1 4.05Å; F144-I152 HydrophobicContact CE2-CD1 4.06Å; F144-I152 HydrophobicContact CG-CD1 4.38Å; F144-I152 HydrophobicContact CZ-CD1 4.42Å; F144-L246 HydrophobicContact CD2-CD2 4.09Å; F144-L246 HydrophobicContact CE2-CD2 4.04Å; F144-F351 AromaticContact CD1-CE1 3.67Å; F144-F351 HydrophobicContact CD1-CE1 3.67Å; F144-F351 AromaticContact CD1-CZ 3.58Å; F144-F351 HydrophobicContact CD1-CZ 3.58Å; F144-F351 AromaticContact CE1-CE1 3.59Å; F144-F351 HydrophobicContact CE1-CE1 3.59Å; F144-F351 HydrophobicContact CE1-CE2 4.48Å; F144-F351 AromaticContact CE1-CZ 3.44Å; F144-F351 HydrophobicContact CE1-CZ 3.44Å; F144-F351 VanDerWaalsContact CE1-CZ 3.44Å; F144-F351 HydrophobicContact CZ-CZ 4.35Å
145T95.2Very high94.3Very high86 Ų8633.4 Ų33.453%0.52817%0.171SC..PPolyproline II helixtrans-68.1159.9166.762.60000110.2V148 K149T145-V148 WeakPolarHBondContact O-CB 3.27Å; T145-V148 PolarHBondContact O-N 3.1Å; T145-V148 VanDerWaalsContact O-N 3.08Å; T145-V148 WeakPolarHBondContact OG1-CG2 3.19Å; T145-K149 PolarHBondContact O-N 3.11Å
146E95.1Very high94.5Very high28 Ų2833.3 Ų33.313%0.13117%0.171CC..Hα-helixtrans-55.9-44.2179.1-165.756.9-141.600113.6V148 K149 K150 W247 Y338 P343E146-V148 VanDerWaalsContact C-N 3.26Å; E146-V148 PolarHBondContact O-N 3.5Å; E146-K149 PolarHBondContact O-N 3.26Å; E146-K149 IonicContact OE2-NZ 3.93Å; E146-K150 PolarHBondContact O-N 2.96Å; E146-W247 WeakPolarHBondContact OE1-CZ2 3.38Å; E146-W247 WeakPolarHBondContact OE2-CZ2 3.49Å; E146-Y338 WeakPolarHBondContact OE1-CE2 3.39Å; E146-Y338 PolarHBondContact OE1-OH 3.48Å; E146-P343 HydrophobicContact CB-CG 4.01Å; E146-P343 HydrophobicContact CG-CG 4.13Å
147P96.9Very high94.8Very high35 Ų3533 Ų3323%0.22717%0.168CC..Hα-helixtrans-56.9-38174-27.737.1000113.7K150 A151 P343 P344 G346P147-K150 PolarHBondContact O-N 3.03Å; P147-A151 WeakPolarHBondContact O-CB 3.36Å; P147-A151 PolarHBondContact O-N 3.48Å; P147-P343 HydrophobicContact CG-CB 3.95Å; P147-P343 HydrophobicContact CG-CG 3.78Å; P147-P344 WeakPolarHBondContact CB-O 3.26Å; P147-G346 VanDerWaalsContact CB-CA 3.49Å; P147-G346 WeakPolarHBondContact O-CA 3.42Å; P147-G346 PolarHBondContact O-N 2.85Å
148V96.8Very high95.1Very high11 Ų1134.9 Ų34.97%0.06718%0.18CC..Hα-helixtrans-69.2-41.6179.2167.70000110.9F144 T145 E146 A151 I152 L348 F351F144-V148 HydrophobicContact CB-CB 4.34Å; F144-V148 HydrophobicContact CB-CG1 3.91Å; F144-V148 HydrophobicContact CD1-CG1 3.97Å; F144-V148 HydrophobicContact CG-CG1 4.07Å; T145-V148 WeakPolarHBondContact O-CB 3.27Å; T145-V148 PolarHBondContact O-N 3.1Å; T145-V148 VanDerWaalsContact O-N 3.08Å; T145-V148 WeakPolarHBondContact OG1-CG2 3.19Å; E146-V148 VanDerWaalsContact C-N 3.26Å; E146-V148 PolarHBondContact O-N 3.5Å; V148-A151 PolarHBondContact O-N 3.16Å; V148-I152 HydrophobicContact CG1-CD1 4.04Å; V148-I152 WeakPolarHBondContact O-CG1 3.24Å; V148-I152 PolarHBondContact O-N 3.46Å; V148-L348 HydrophobicContact CB-CD2 4.44Å; V148-L348 HydrophobicContact CG1-CD2 3.8Å; V148-F351 HydrophobicContact CG1-CE1 3.96Å; V148-F351 HydrophobicContact CG1-CE2 4.12Å; V148-F351 HydrophobicContact CG1-CZ 3.3Å
149K97.4Very high95.4Very high21 Ų2134.9 Ų34.99%0.09118%0.18CC..Hα-helixtrans-60.7-44.6174.4-63.6-170.9-172.984.10111.7F144 T145 E146 A151 I152 M153 L246 W247F144-K149 HydrophobicContact CB-CG 3.75Å; F144-K149 PolarHBondContact O-NZ 3.36Å; T145-K149 PolarHBondContact O-N 3.11Å; E146-K149 PolarHBondContact O-N 3.26Å; E146-K149 IonicContact OE2-NZ 3.93Å; K149-A151 VanDerWaalsContact C-N 3.33Å; K149-A151 PolarHBondContact O-N 2.88Å; K149-I152 PolarHBondContact O-N 3.24Å; K149-M153 PolarHBondContact O-N 3.32Å; K149-L246 HydrophobicContact CB-CD1 3.99Å; K149-L246 HydrophobicContact CD-CB 3.91Å; K149-L246 WeakPolarHBondContact CE-O 3.3Å; K149-L246 HydrophobicContact CG-CB 4.12Å; K149-L246 HydrophobicContact CG-CD1 4.3Å; K149-W247 HydrophobicContact CB-CH2 4.29Å; K149-W247 HydrophobicContact CB-CZ2 4.46Å; K149-W247 HydrophobicContact CD-CD2 3.66Å; K149-W247 HydrophobicContact CD-CE3 4Å; K149-W247 HydrophobicContact CD-CG 4.32Å; K149-W247 HydrophobicContact CD-CH2 3.78Å; K149-W247 HydrophobicContact CD-CZ2 3.44Å; K149-W247 VanDerWaalsContact CD-CZ2 3.44Å; K149-W247 HydrophobicContact CD-CZ3 4.04Å
150K97.9Very high95.8Very high0 Ų034.6 Ų34.60%018%0.178CC..Hα-helixtrans-57-44.1172.8-73.8-173.8-177.6-1700112.3E146 P147 M153 K154 Y338 E341 P343 V345E146-K150 PolarHBondContact O-N 2.96Å; P147-K150 PolarHBondContact O-N 3.03Å; K150-M153 PolarHBondContact O-N 3.3Å; K150-K154 VanDerWaalsContact O-CB 3.24Å; K150-K154 WeakPolarHBondContact O-CB 3.42Å; K150-K154 PolarHBondContact O-N 2.92Å; K150-Y338 HydrophobicContact CB-CE1 4.46Å; K150-Y338 HydrophobicContact CD-CE2 4.29Å; K150-Y338 VanDerWaalsContact CE-CE2 3.45Å; K150-Y338 WeakPolarHBondContact CE-O 3.42Å; K150-Y338 HydrophobicContact CG-CD1 4.43Å; K150-Y338 HydrophobicContact CG-CE1 3.68Å; K150-Y338 HydrophobicContact CG-CE2 3.83Å; K150-Y338 VanDerWaalsContact CG-OH 3.27Å; K150-Y338 WeakPolarHBondContact CG-OH 3.39Å; K150-Y338 PolarHBondContact NZ-O 3.1Å; K150-E341 PolarHBondContact NZ-O 3.29Å; K150-E341 IonicContact NZ-OE1 3.14Å; K150-P343 WeakPolarHBondContact CD-O 3.39Å; K150-P343 WeakPolarHBondContact CE-O 3.36Å; K150-P343 PolarHBondContact NZ-O 2.9Å; K150-V345 HydrophobicContact CB-CG2 4.2Å
151A98.1Very high96.4Very high2 Ų233.8 Ų33.82%0.01717%0.173CC..Hα-helixtrans-66.1-40.6179.800000112.9P147 V148 K149 Q155 V345 G346 L348P147-A151 WeakPolarHBondContact O-CB 3.36Å; P147-A151 PolarHBondContact O-N 3.48Å; V148-A151 PolarHBondContact O-N 3.16Å; K149-A151 VanDerWaalsContact C-N 3.33Å; K149-A151 PolarHBondContact O-N 2.88Å; A151-Q155 WeakPolarHBondContact O-CB 3.33Å; A151-Q155 WeakPolarHBondContact O-CG 3.39Å; A151-Q155 PolarHBondContact O-N 3.33Å; A151-Q155 VanDerWaalsContact O-N 3.13Å; A151-V345 HydrophobicContact CB-CG1 3.7Å; A151-G346 WeakPolarHBondContact CB-O 3.3Å; A151-L348 HydrophobicContact CB-CD1 4.44Å; A151-L348 HydrophobicContact CB-CD2 3.67Å; A151-L348 HydrophobicContact CB-CG 3.93Å
152I98.4Very high97Very high0 Ų030.1 Ų30.10%016%0.155CC..Hα-helixtrans-59.2-53.1172.9-69162000109.9L135 F144 V148 K149 K154 Q155 L156 L186 L246 L348 F351L135-I152 HydrophobicContact CD1-CD1 3.87Å; L135-I152 HydrophobicContact CD1-CG2 4.26Å; L135-I152 HydrophobicContact CD2-CG2 4.01Å; F144-I152 HydrophobicContact CD2-CD1 4.05Å; F144-I152 HydrophobicContact CE2-CD1 4.06Å; F144-I152 HydrophobicContact CG-CD1 4.38Å; F144-I152 HydrophobicContact CZ-CD1 4.42Å; V148-I152 HydrophobicContact CG1-CD1 4.04Å; V148-I152 WeakPolarHBondContact O-CG1 3.24Å; V148-I152 PolarHBondContact O-N 3.46Å; K149-I152 PolarHBondContact O-N 3.24Å; I152-K154 PolarHBondContact O-N 3.26Å; I152-Q155 PolarHBondContact O-N 3.07Å; I152-L156 VanDerWaalsContact O-CB 3.3Å; I152-L156 WeakPolarHBondContact O-CB 3.49Å; I152-L156 PolarHBondContact O-N 2.92Å; I152-L186 HydrophobicContact CB-CD1 4.4Å; I152-L186 HydrophobicContact CG2-CD1 3.9Å; I152-L186 WeakPolarHBondContact O-CD1 3.36Å; I152-L246 HydrophobicContact CB-CD1 4.49Å; I152-L246 HydrophobicContact CD1-CD2 4.16Å; I152-L246 HydrophobicContact CG2-CD1 4.29Å; I152-L246 HydrophobicContact CG2-CD2 4.2Å; I152-L348 HydrophobicContact CG1-CD1 4.12Å; I152-L348 HydrophobicContact CG1-CD2 3.88Å; I152-F351 HydrophobicContact CD1-CZ 4.47Å
153M98.6Very high97.4Very high0 Ų028.1 Ų28.10%014%0.144CC..Hα-helixtrans-66.7-39.9-176-73-51.8-5400113.1K149 K150 L156 L157 M243 L246 F339K149-M153 PolarHBondContact O-N 3.32Å; K150-M153 PolarHBondContact O-N 3.3Å; M153-L156 HydrophobicContact CE-CD2 4.16Å; M153-L156 PolarHBondContact O-N 2.94Å; M153-L156 HydrophobicContact SD-CD2 4.18Å; M153-L157 HydrophobicContact CE-CD1 4.31Å; M153-L157 HydrophobicContact CE-CG 4.25Å; M153-L157 WeakPolarHBondContact O-CB 3.46Å; M153-L157 VanDerWaalsContact O-CG 3.29Å; M153-L157 WeakPolarHBondContact O-CG 3.33Å; M153-L157 PolarHBondContact O-N 2.9Å; M153-M243 HydrophobicContact CE-CB 3.63Å; M153-M243 HydrophobicContact CE-CG 3.96Å; M153-M243 HydrophobicContact CE-SD 3.96Å; M153-M243 HydrophobicContact CG-CB 4.3Å; M153-M243 HydrophobicContact CG-CG 3.82Å; M153-M243 HydrophobicContact CG-SD 4.17Å; M153-M243 HydrophobicContact SD-CB 3.55Å; M153-M243 VanDerWaalsContact SD-CB 3.55Å; M153-M243 HydrophobicContact SD-CG 3.78Å; M153-M243 HydrophobicContact SD-SD 4.44Å; M153-L246 HydrophobicContact CG-CD1 3.7Å; M153-L246 HydrophobicContact SD-CD1 3.98Å; M153-F339 HydrophobicContact CB-CE1 3.94Å; M153-F339 HydrophobicContact CB-CZ 3.89Å
154K98.5Very high97.6Very high80 Ų8022 Ų2235%0.34811%0.112SC..Hα-helixtrans-62-50.2177.8-172167.4-176.4170.20111K150 I152 L156 L157 T158 L334 F339 V345K150-K154 VanDerWaalsContact O-CB 3.24Å; K150-K154 WeakPolarHBondContact O-CB 3.42Å; K150-K154 PolarHBondContact O-N 2.92Å; I152-K154 PolarHBondContact O-N 3.26Å; K154-L156 PolarHBondContact O-N 2.87Å; K154-L157 PolarHBondContact O-N 3.48Å; K154-T158 WeakPolarHBondContact O-CB 3.44Å; K154-T158 PolarHBondContact O-N 3.47Å; K154-T158 PolarHBondContact O-OG1 3.48Å; K154-L334 HydrophobicContact CG-CD2 4.34Å; K154-F339 HydrophobicContact CB-CD1 3.96Å; K154-F339 HydrophobicContact CB-CE1 3.75Å; K154-F339 HydrophobicContact CB-CZ 4.45Å; K154-F339 HydrophobicContact CD-CD1 4.44Å; K154-F339 HydrophobicContact CG-CD1 4.45Å; K154-V345 HydrophobicContact CD-CG1 4.34Å; K154-V345 HydrophobicContact CD-CG2 3.86Å
155Q98.7Very high97.6Very high34 Ų3426.8 Ų26.816%0.15914%0.137CC..Hα-helixtrans-65.9-37.4179-70-169.35500112.7N102 A151 I152 G159 G184 L186N102-Q155 PolarHBondContact ND2-OE1 3.42Å; N102-Q155 VanDerWaalsContact ND2-OE1 3.1Å; N102-Q155 PolarHBondContact OD1-O 3.02Å; A151-Q155 WeakPolarHBondContact O-CB 3.33Å; A151-Q155 WeakPolarHBondContact O-CG 3.39Å; A151-Q155 PolarHBondContact O-N 3.33Å; A151-Q155 VanDerWaalsContact O-N 3.13Å; I152-Q155 PolarHBondContact O-N 3.07Å; Q155-G159 PolarHBondContact O-N 2.85Å; Q155-G184 PolarHBondContact NE2-O 2.88Å; Q155-L186 HydrophobicContact CB-CB 3.8Å; Q155-L186 HydrophobicContact CB-CD1 4.35Å; Q155-L186 HydrophobicContact CB-CD2 4.35Å; Q155-L186 HydrophobicContact CB-CG 4.41Å
156L98.9Very high97.4Very high0 Ų025.8 Ų25.80%013%0.128CC..Hα-helixtrans-60.1-53174173.658.8000111I152 M153 K154 T158 G159 V160 I178 L186 I188 A239 I242I152-L156 VanDerWaalsContact O-CB 3.3Å; I152-L156 WeakPolarHBondContact O-CB 3.49Å; I152-L156 PolarHBondContact O-N 2.92Å; M153-L156 HydrophobicContact CE-CD2 4.16Å; M153-L156 PolarHBondContact O-N 2.94Å; M153-L156 HydrophobicContact SD-CD2 4.18Å; K154-L156 PolarHBondContact O-N 2.87Å; L156-T158 VanDerWaalsContact C-N 3.34Å; L156-T158 PolarHBondContact O-N 3.45Å; L156-G159 PolarHBondContact O-N 3.4Å; L156-G159 VanDerWaalsContact O-N 3.16Å; L156-V160 HydrophobicContact CD1-CG2 4.16Å; L156-V160 WeakPolarHBondContact O-CG2 3.16Å; L156-V160 PolarHBondContact O-N 3.42Å; L156-I178 HydrophobicContact CD1-CD1 3.62Å; L156-I178 HydrophobicContact CD1-CG1 4.39Å; L156-L186 HydrophobicContact CB-CD1 4.3Å; L156-L186 HydrophobicContact CB-CD2 4.28Å; L156-I188 HydrophobicContact CD1-CD1 4.01Å; L156-I188 HydrophobicContact CD1-CG1 4Å; L156-A239 HydrophobicContact CD2-CB 4.32Å; L156-I242 HydrophobicContact CD2-CB 4.38Å; L156-I242 HydrophobicContact CD2-CD1 4.19Å; L156-I242 HydrophobicContact CD2-CG2 3.98Å
157L98.9Very high97.2Very high0 Ų026.6 Ų26.60%013%0.134CC..Hα-helixtrans-65.8-35.9-178.4-69.3170.8000112.1M153 K154 G159 V160 F161 M236 A239 A333 L334 F339M153-L157 HydrophobicContact CE-CD1 4.31Å; M153-L157 HydrophobicContact CE-CG 4.25Å; M153-L157 WeakPolarHBondContact O-CB 3.46Å; M153-L157 VanDerWaalsContact O-CG 3.29Å; M153-L157 WeakPolarHBondContact O-CG 3.33Å; M153-L157 PolarHBondContact O-N 2.9Å; K154-L157 PolarHBondContact O-N 3.48Å; L157-G159 VanDerWaalsContact C-N 3.34Å; L157-G159 PolarHBondContact O-N 3.13Å; L157-V160 PolarHBondContact O-N 2.62Å; L157-F161 VanDerWaalsContact O-CB 3.31Å; L157-F161 WeakPolarHBondContact O-CB 3.39Å; L157-F161 PolarHBondContact O-N 2.52Å; L157-M236 HydrophobicContact CD2-CE 3.75Å; L157-A239 HydrophobicContact CD2-CB 4.26Å; L157-A333 HydrophobicContact CD1-CB 3.85Å; L157-A333 HydrophobicContact CD2-CB 4.03Å; L157-L334 HydrophobicContact CB-CD2 3.67Å; L157-L334 HydrophobicContact CB-CG 3.83Å; L157-F339 HydrophobicContact CD1-CE2 3.77Å; L157-F339 HydrophobicContact CD1-CZ 3.71Å
158T98.8Very high96.9Very high40 Ų4025 Ų2525%0.24512%0.123CC..Hα-helixtrans-60-44.3171.4-57.50000111.2K154 L156 F161 Y162K154-T158 WeakPolarHBondContact O-CB 3.44Å; K154-T158 PolarHBondContact O-N 3.47Å; K154-T158 PolarHBondContact O-OG1 3.48Å; L156-T158 VanDerWaalsContact C-N 3.34Å; L156-T158 PolarHBondContact O-N 3.45Å; T158-F161 PolarHBondContact O-N 3.49Å; T158-Y162 PolarHBondContact O-N 2.76Å
159G98.8Very high96.8Very high0 Ų024.5 Ų24.50%012%0.121CC..Hα-helixtrans-61.5-45.7174.200000112.8Q155 L156 L157 Y162 L163Q155-G159 PolarHBondContact O-N 2.85Å; L156-G159 PolarHBondContact O-N 3.4Å; L156-G159 VanDerWaalsContact O-N 3.16Å; L157-G159 VanDerWaalsContact C-N 3.34Å; L157-G159 PolarHBondContact O-N 3.13Å; G159-Y162 PolarHBondContact O-N 3.36Å; G159-L163 WeakPolarHBondContact O-CG 3.15Å; G159-L163 PolarHBondContact O-N 3.37Å
160V98.7Very high96.8Very high0 Ų023.5 Ų23.50%012%0.116CC..Hα-helixtrans-63.6-43.2177.9176.20000111.2L156 L157 Y162 L163 H164 L173 I188 D235 M236 A330L156-V160 HydrophobicContact CD1-CG2 4.16Å; L156-V160 WeakPolarHBondContact O-CG2 3.16Å; L156-V160 PolarHBondContact O-N 3.42Å; L157-V160 PolarHBondContact O-N 2.62Å; V160-Y162 VanDerWaalsContact C-N 3.34Å; V160-Y162 PolarHBondContact O-N 3.38Å; V160-L163 WeakPolarHBondContact O-CB 3.48Å; V160-L163 PolarHBondContact O-N 3.45Å; V160-H164 WeakPolarHBondContact CG1-CE1 3.44Å; V160-H164 WeakPolarHBondContact O-CB 3.27Å; V160-H164 PolarHBondContact O-CD2 2.94Å; V160-H164 VanDerWaalsContact O-CG 3.32Å; V160-H164 PolarHBondContact O-N 3.11Å; V160-L173 HydrophobicContact CG2-CD1 3.79Å; V160-I188 HydrophobicContact CG2-CD1 3.81Å; V160-D235 HydrophobicContact CG1-CB 4.27Å; V160-M236 HydrophobicContact CG1-SD 3.74Å; V160-A330 HydrophobicContact CB-CB 4.46Å; V160-A330 HydrophobicContact CG1-CB 4.13Å
161F98.6Very high96.6Very high67 Ų6723.8 Ų23.829%0.29412%0.117SC..Hα-helixtrans-56.4-47.8174.7176.6-108.6000111.3L157 T158 L163 H164 L165 A330 E331 L334L157-F161 VanDerWaalsContact O-CB 3.31Å; L157-F161 WeakPolarHBondContact O-CB 3.39Å; L157-F161 PolarHBondContact O-N 2.52Å; T158-F161 PolarHBondContact O-N 3.49Å; F161-L163 PolarHBondContact O-N 2.81Å; F161-H164 PolarHBondContact O-N 3.41Å; F161-L165 WeakPolarHBondContact O-CB 3.39Å; F161-L165 PolarHBondContact O-N 3.08Å; F161-A330 HydrophobicContact CB-CB 3.71Å; F161-A330 HydrophobicContact CD2-CB 4.3Å; F161-E331 HydrophobicContact CD2-CB 3.96Å; F161-E331 HydrophobicContact CE2-CB 3.74Å; F161-E331 HydrophobicContact CE2-CG 4.16Å; F161-L334 HydrophobicContact CB-CD1 3.94Å; F161-L334 HydrophobicContact CG-CD1 4.29Å
162Y98.4Very high96.5Very high39 Ų3923.9 Ų23.915%0.15312%0.118CC..Hα-helixtrans-59-44.8175.8174.1-96.6000112.7L98 N99 H100 I103 T158 G159 V160 H164 L165 N166L98-Y162 HydrophobicContact CB-CE1 4.17Å; L98-Y162 HydrophobicContact CD2-CD1 4.46Å; L98-Y162 HydrophobicContact CD2-CE1 3.68Å; L98-Y162 HydrophobicContact CG-CE1 4.49Å; N99-Y162 PolarHBondContact N-OH 2.76Å; N99-Y162 PolarHBondContact O-OH 3.03Å; H100-Y162 HydrophobicContact CB-CD1 3.47Å; H100-Y162 VanDerWaalsContact CB-CD1 3.47Å; H100-Y162 HydrophobicContact CB-CD2 3.91Å; H100-Y162 HydrophobicContact CB-CE1 3.5Å; H100-Y162 HydrophobicContact CB-CE2 3.96Å; H100-Y162 HydrophobicContact CB-CG 3.68Å; H100-Y162 AromaticContact CD2-CD2 3.56Å; H100-Y162 AromaticContact CD2-CG 3.63Å; H100-Y162 AromaticContact CG-CD1 3.86Å; H100-Y162 AromaticContact CG-CD2 3.9Å; H100-Y162 AromaticContact CG-CG 3.61Å; I103-Y162 HydrophobicContact CG1-CD1 3.84Å; I103-Y162 HydrophobicContact CG1-CE1 4.24Å; T158-Y162 PolarHBondContact O-N 2.76Å; G159-Y162 PolarHBondContact O-N 3.36Å; V160-Y162 VanDerWaalsContact C-N 3.34Å; V160-Y162 PolarHBondContact O-N 3.38Å; Y162-H164 VanDerWaalsContact C-N 3.34Å; Y162-H164 PolarHBondContact O-N 2.91Å; Y162-L165 PolarHBondContact O-N 2.91Å; Y162-N166 WeakPolarHBondContact CE2-ND2 3.34Å; Y162-N166 VanDerWaalsContact CZ-ND2 3.31Å; Y162-N166 PolarHBondContact O-N 3.33Å; Y162-N166 VanDerWaalsContact O-N 3.1Å; Y162-N166 PolarHBondContact O-ND2 3.04Å
163L97.8Very high96.4Very high0 Ų024 Ų240%012%0.118CC..Hα-helixtrans-59.5-47.2176.3-68.9179.4000111.3L98 I103 G159 V160 F161 L165 N166 N167 V168 H170 I188 F191L98-L163 HydrophobicContact CD1-CD2 3.57Å; L98-L163 HydrophobicContact CD2-CD2 3.98Å; L98-L163 HydrophobicContact CG-CD2 4.4Å; I103-L163 HydrophobicContact CD1-CD1 3.98Å; I103-L163 HydrophobicContact CD1-CD2 3.71Å; I103-L163 HydrophobicContact CD1-CG 3.67Å; I103-L163 HydrophobicContact CG1-CD2 4.26Å; G159-L163 WeakPolarHBondContact O-CG 3.15Å; G159-L163 PolarHBondContact O-N 3.37Å; V160-L163 WeakPolarHBondContact O-CB 3.48Å; V160-L163 PolarHBondContact O-N 3.45Å; F161-L163 PolarHBondContact O-N 2.81Å; L163-L165 VanDerWaalsContact C-N 3.34Å; L163-L165 PolarHBondContact O-N 2.93Å; L163-N166 CarbonylContact O-C 3.46Å; L163-N166 PolarHBondContact O-N 3.4Å; L163-N166 VanDerWaalsContact O-N 3.13Å; L163-N167 PolarHBondContact O-N 3.44Å; L163-V168 CarbonylContact C-O 3.39Å; L163-V168 HydrophobicContact CB-CB 4.38Å; L163-V168 HydrophobicContact CD2-CB 4.34Å; L163-V168 HydrophobicContact CD2-CG1 4.2Å; L163-V168 PolarHBondContact O-N 2.81Å; L163-H170 HydrophobicContact CD1-CB 4.19Å; L163-I188 HydrophobicContact CD1-CD1 4.2Å; L163-I188 HydrophobicContact CD1-CG2 4.49Å; L163-F191 HydrophobicContact CD1-CE1 4.04Å; L163-F191 HydrophobicContact CD1-CZ 4.06Å; L163-F191 HydrophobicContact CD2-CE1 3.62Å; L163-F191 HydrophobicContact CD2-CZ 3.87Å
164H95.8Very high96.3Very high7 Ų725.5 Ų25.53%0.03213%0.125CC..Hα-helixtrans-66.5-36.4-178.4-73.6-173.2000112.1V160 F161 Y162 N166 N167 V168 K232 D235V160-H164 WeakPolarHBondContact CG1-CE1 3.44Å; V160-H164 WeakPolarHBondContact O-CB 3.27Å; V160-H164 PolarHBondContact O-CD2 2.94Å; V160-H164 VanDerWaalsContact O-CG 3.32Å; V160-H164 PolarHBondContact O-N 3.11Å; F161-H164 PolarHBondContact O-N 3.41Å; Y162-H164 VanDerWaalsContact C-N 3.34Å; Y162-H164 PolarHBondContact O-N 2.91Å; H164-N166 VanDerWaalsContact C-N 3.28Å; H164-N166 PolarHBondContact O-N 3.22Å; H164-N167 PolarHBondContact O-N 2.98Å; H164-N167 VanDerWaalsContact O-N 3.14Å; H164-V168 PolarHBondContact CD2-O 3.22Å; H164-K232 HydrophobicContact CB-CD 3.76Å; H164-K232 HydrophobicContact CB-CG 4.09Å; H164-K232 PolarHBondContact CE1-O 3.15Å; H164-K232 WeakPolarHBondContact O-CE 3.37Å; H164-K232 PolarHBondContact O-NZ 2.96Å; H164-D235 IonicContact CD2-OD2 3.53Å; H164-D235 IonicContact NE2-OD2 3.12Å; H164-D235 PolarHBondContact NE2-OD2 2.94Å
165L94.4Very high96.2Very high112 Ų11221.8 Ų21.859%0.58611%0.109SC*.Hα-helixtrans-62-38.1172.9-173.566.2000111.4F161 Y162 L163 N167F161-L165 WeakPolarHBondContact O-CB 3.39Å; F161-L165 PolarHBondContact O-N 3.08Å; Y162-L165 PolarHBondContact O-N 2.91Å; L163-L165 VanDerWaalsContact C-N 3.34Å; L163-L165 PolarHBondContact O-N 2.93Å; L165-N167 PolarHBondContact O-N 2.85Å
166N90.9Very high95.9Very high65 Ų6521.5 Ų21.535%0.34811%0.112SC..THydrogen-bonded Turntrans-84.214.8175.7-71.5-82.5000113.6L98 Y162 L163 H164 V168L98-N166 HydrophobicContact CD2-CB 4.11Å; Y162-N166 WeakPolarHBondContact CE2-ND2 3.34Å; Y162-N166 VanDerWaalsContact CZ-ND2 3.31Å; Y162-N166 PolarHBondContact O-N 3.33Å; Y162-N166 VanDerWaalsContact O-N 3.1Å; Y162-N166 PolarHBondContact O-ND2 3.04Å; L163-N166 CarbonylContact O-C 3.46Å; L163-N166 PolarHBondContact O-N 3.4Å; L163-N166 VanDerWaalsContact O-N 3.13Å; H164-N166 VanDerWaalsContact C-N 3.28Å; H164-N166 PolarHBondContact O-N 3.22Å; N166-V168 PolarHBondContact O-N 2.67Å
167N90Very high95.8Very high45 Ų4522.1 Ų22.124%0.24112%0.116CC..THydrogen-bonded Turntrans55.536.2-178.8-64.3-58.7000113.2L163 H164 L165 T196 T197L163-N167 PolarHBondContact O-N 3.44Å; H164-N167 PolarHBondContact O-N 2.98Å; H164-N167 VanDerWaalsContact O-N 3.14Å; L165-N167 PolarHBondContact O-N 2.85Å; N167-T196 HydrophobicContact CB-CG2 4.43Å; N167-T196 CarbonylContact O-C 3.56Å; N167-T196 WeakPolarHBondContact O-CA 3.39Å; N167-T196 WeakPolarHBondContact O-CG2 3.45Å; N167-T197 WeakPolarHBondContact CB-OG1 3.43Å; N167-T197 PolarHBondContact O-N 3.41Å; N167-T197 PolarHBondContact O-OG1 2.85Å
168V91.4Very high95.7Very high2 Ų222.1 Ų22.11%0.01212%0.116CC..EExtended strand (participates in β ladder)trans-109.2128.4175.51770000109.7I94 L98 L163 H164 N166 F191 A194I94-V168 HydrophobicContact CG2-CG1 3.89Å; I94-V168 HydrophobicContact CG2-CG2 4.26Å; L98-V168 HydrophobicContact CD2-CG2 4.19Å; L163-V168 CarbonylContact C-O 3.39Å; L163-V168 HydrophobicContact CB-CB 4.38Å; L163-V168 HydrophobicContact CD2-CB 4.34Å; L163-V168 HydrophobicContact CD2-CG1 4.2Å; L163-V168 PolarHBondContact O-N 2.81Å; H164-V168 PolarHBondContact CD2-O 3.22Å; N166-V168 PolarHBondContact O-N 2.67Å; V168-F191 HydrophobicContact CG1-CE1 4.37Å; V168-A194 HydrophobicContact CG1-CB 4.38Å
169L94.4Very high95.7Very high1 Ų122 Ų221%0.00511%0.113CC..EExtended strand (participates in β ladder)trans-95.9131.9165.1-52.7-179.9000108.9R171 A194 R195 T197 Y230 K232 D235L169-R171 HydrophobicContact CB-CG 3.58Å; L169-A194 CarbonylContact O-C 3.41Å; L169-A194 WeakPolarHBondContact O-CA 3.34Å; L169-A194 WeakPolarHBondContact O-CB 3.36Å; L169-R195 PolarHBondContact N-O 3.28Å; L169-R195 PolarHBondContact O-N 3.21Å; L169-T197 HydrophobicContact CD1-CG2 3.61Å; L169-T197 HydrophobicContact CD2-CG2 3.64Å; L169-T197 HydrophobicContact CG-CG2 3.34Å; L169-Y230 HydrophobicContact CD1-CD2 4.19Å; L169-Y230 HydrophobicContact CD1-CE2 4.15Å; L169-K232 HydrophobicContact CD2-CB 4.35Å; L169-K232 HydrophobicContact CD2-CG 3.95Å; L169-D235 WeakPolarHBondContact CA-OD2 3.19Å
170H96Very high95.6Very high0 Ų022 Ų220%011%0.113CC..  trans-74.8-50.3176.6-170.7-93000111.2L163 D172 L173 A189 D190 F191 L193 A194 D235L163-H170 HydrophobicContact CD1-CB 4.19Å; H170-D172 PolarHBondContact CE1-O 3.23Å; H170-D172 VanDerWaalsContact ND1-C 3.25Å; H170-D172 PolarHBondContact ND1-N 3.04Å; H170-D172 PolarHBondContact O-N 3.18Å; H170-L173 HydrophobicContact CB-CD2 4.22Å; H170-L173 HydrophobicContact CB-CG 4.15Å; H170-L173 PolarHBondContact ND1-N 3.44Å; H170-A189 PolarHBondContact CE1-O 3.1Å; H170-A189 PolarHBondContact NE2-O 2.95Å; H170-D190 PolarHBondContact CE1-O 3.08Å; H170-D190 PolarHBondContact NE2-O 3.45Å; H170-F191 AromaticContact CD2-CE1 3.85Å; H170-F191 AromaticContact CD2-CZ 3.84Å; H170-L193 CarbonylContact O-C 3.57Å; H170-A194 WeakPolarHBondContact O-CA 3.15Å; H170-A194 PolarHBondContact O-N 3.25Å; H170-D235 WeakPolarHBondContact CB-OD1 3.29Å; H170-D235 PolarHBondContact N-OD1 3.28Å; H170-D235 PolarHBondContact N-OD2 2.99Å
171R94.8Very high95.5Very high5 Ų522.7 Ų22.72%0.01912%0.117CC..  trans6217.4176.8-45.9-172.5-621614.8115.7L169 L193 V213 V214 Y230 D235L169-R171 HydrophobicContact CB-CG 3.58Å; R171-L193 PolarHBondContact NE-O 3.48Å; R171-L193 PolarHBondContact NH2-O 3.17Å; R171-V213 HydrophobicContact CB-CB 4.28Å; R171-V213 HydrophobicContact CB-CG2 4.39Å; R171-V214 HydrophobicContact CB-CG2 4.43Å; R171-V214 WeakPolarHBondContact O-CA 3.22Å; R171-V214 WeakPolarHBondContact O-CG2 3.32Å; R171-V214 PolarHBondContact O-N 3.4Å; R171-Y230 PolarHBondContact NH1-OH 3.25Å; R171-D235 PolarHBondContact N-OD1 2.8Å
172D95.3Very high95.2Very high5 Ų525.9 Ų25.93%0.02713%0.131CC..  trans-15442.3168.5-159.237000112.2H170 K174 N177 L193 T215H170-D172 PolarHBondContact CE1-O 3.23Å; H170-D172 VanDerWaalsContact ND1-C 3.25Å; H170-D172 PolarHBondContact ND1-N 3.04Å; H170-D172 PolarHBondContact O-N 3.18Å; D172-K174 PolarHBondContact O-N 3.39Å; D172-K174 IonicContact OD1-NZ 3.63Å; D172-K174 IonicContact OD2-NZ 2.74Å; D172-K174 PolarHBondContact OD2-NZ 2.97Å; D172-N177 PolarHBondContact O-ND2 3.48Å; D172-N177 PolarHBondContact OD2-ND2 2.96Å; D172-N177 VanDerWaalsContact OD2-ND2 3.14Å; D172-L193 HydrophobicContact CB-CB 4.32Å; D172-L193 HydrophobicContact CB-CD1 4.02Å; D172-T215 WeakPolarHBondContact OD1-CB 3.47Å; D172-T215 PolarHBondContact OD1-N 2.97Å; D172-T215 PolarHBondContact OD1-OG1 3.24Å
173L97.5Very high95.1Very high2 Ų228.3 Ų28.31%0.0115%0.146CC..  trans-67.7125.4172.1-70-179.3000109.8V160 H170 I178 I188 Y218 D235 I242V160-L173 HydrophobicContact CG2-CD1 3.79Å; H170-L173 HydrophobicContact CB-CD2 4.22Å; H170-L173 HydrophobicContact CB-CG 4.15Å; H170-L173 PolarHBondContact ND1-N 3.44Å; L173-I178 HydrophobicContact CD2-CD1 4.16Å; L173-I188 HydrophobicContact CD2-CG2 3.73Å; L173-Y218 WeakPolarHBondContact O-CB 3.48Å; L173-D235 HydrophobicContact CD1-CB 3.73Å; L173-D235 WeakPolarHBondContact CD1-O 3.31Å; L173-I242 HydrophobicContact CB-CD1 4.21Å
174K95.7Very high95Very high32 Ų3228.4 Ų28.414%0.13915%0.148CC..  trans-160.2158.917664.1-164.2-175.5-147.90108.8D172 A176 N177 T215 Y218D172-K174 PolarHBondContact O-N 3.39Å; D172-K174 IonicContact OD1-NZ 3.63Å; D172-K174 IonicContact OD2-NZ 2.74Å; D172-K174 PolarHBondContact OD2-NZ 2.97Å; K174-A176 HydrophobicContact CG-CB 4.4Å; K174-A176 PolarHBondContact O-N 3Å; K174-A176 VanDerWaalsContact O-N 3.14Å; K174-N177 WeakPolarHBondContact CE-ND2 3.4Å; K174-N177 WeakPolarHBondContact CE-OD1 3.37Å; K174-N177 HydrophobicContact CG-CB 4.01Å; K174-N177 PolarHBondContact O-N 3.15Å; K174-T215 HydrophobicContact CD-CG2 4.34Å; K174-T215 WeakPolarHBondContact CD-OG1 3.42Å; K174-T215 PolarHBondContact NZ-OG1 3.31Å; K174-T215 VanDerWaalsContact NZ-OG1 3.08Å; K174-Y218 HydrophobicContact CB-CD1 4.26Å; K174-Y218 HydrophobicContact CB-CD2 3.59Å; K174-Y218 HydrophobicContact CB-CE1 4.2Å; K174-Y218 HydrophobicContact CB-CE2 3.48Å; K174-Y218 VanDerWaalsContact CB-CE2 3.48Å; K174-Y218 HydrophobicContact CB-CG 3.99Å
175A95.6Very high95.1Very high1 Ų130.2 Ų30.21%0.00816%0.157CC..G310 helixtrans-54.1-38.7-176.300000113.4L135 A136 N177 I178L135-A175 HydrophobicContact CB-CB 4.29Å; L135-A175 WeakPolarHBondContact CB-O 3.41Å; L135-A175 HydrophobicContact CD2-CB 4.42Å; L135-A175 HydrophobicContact CG-CB 4.3Å; L135-A175 PolarHBondContact N-O 3.34Å; A136-A175 HydrophobicContact CB-CB 3.95Å; A136-A175 PolarHBondContact N-O 3.42Å; A175-N177 PolarHBondContact O-N 2.9Å; A175-I178 PolarHBondContact O-N 3.45Å; A175-I178 VanDerWaalsContact O-N 3.11Å
176A93.3Very high95.3Very high29 Ų2924.9 Ų24.924%0.2413%0.129CC..G310 helixtrans-65.7-19.4178.100000114.6A136 K174A136-A176 HydrophobicContact CB-CB 4.12Å; K174-A176 HydrophobicContact CG-CB 4.4Å; K174-A176 PolarHBondContact O-N 3Å; K174-A176 VanDerWaalsContact O-N 3.14Å
177N96.3Very high95.6Very high13 Ų1322.5 Ų22.57%0.0712%0.116CC..G310 helixtrans-96.63177.7-74.7-4.2000112.6D172 K174 A175 A189D172-N177 PolarHBondContact O-ND2 3.48Å; D172-N177 PolarHBondContact OD2-ND2 2.96Å; D172-N177 VanDerWaalsContact OD2-ND2 3.14Å; K174-N177 WeakPolarHBondContact CE-ND2 3.4Å; K174-N177 WeakPolarHBondContact CE-OD1 3.37Å; K174-N177 HydrophobicContact CG-CB 4.01Å; K174-N177 PolarHBondContact O-N 3.15Å; A175-N177 PolarHBondContact O-N 2.9Å; N177-A189 WeakPolarHBondContact CB-O 3.33Å; N177-A189 PolarHBondContact O-N 3.49Å
178I97.9Very high96Very high0 Ų020.4 Ų20.40%010%0.104CC..EExtended strand (participates in β ladder)trans-103103.4175.4-54.1-45.8000108D134 L135 L156 L173 A175 L186 I188 I242D134-I178 CarbonylContact C-O 3.58Å; D134-I178 WeakPolarHBondContact CA-O 3.4Å; L135-I178 HydrophobicContact CB-CB 3.93Å; L135-I178 HydrophobicContact CB-CG2 4.21Å; L135-I178 HydrophobicContact CD2-CB 4.25Å; L135-I178 HydrophobicContact CD2-CG1 4.5Å; L135-I178 HydrophobicContact CD2-CG2 4.23Å; L135-I178 PolarHBondContact N-O 3.23Å; L156-I178 HydrophobicContact CD1-CD1 3.62Å; L156-I178 HydrophobicContact CD1-CG1 4.39Å; L173-I178 HydrophobicContact CD2-CD1 4.16Å; A175-I178 PolarHBondContact O-N 3.45Å; A175-I178 VanDerWaalsContact O-N 3.11Å; I178-L186 HydrophobicContact CG2-CD1 3.43Å; I178-L186 VanDerWaalsContact CG2-CD1 3.43Å; I178-L186 HydrophobicContact CG2-CD2 3.83Å; I178-L186 HydrophobicContact CG2-CG 3.5Å; I178-I188 HydrophobicContact CD1-CG1 4.33Å; I178-I242 HydrophobicContact CD1-CD1 4.34Å; I178-I242 HydrophobicContact CG1-CD1 4.02Å
179L97.8Very high96.3Very high36 Ų3620.8 Ų20.819%0.18811%0.108CC..EExtended strand (participates in β ladder)trans-93.4156.2-178-53.3-176.1000110.9C131 H133 D134 L186 K187 A189C131-L179 HydrophobicContact CB-CB 3.64Å; C131-L179 HydrophobicContact CB-CD1 4.12Å; C131-L179 HydrophobicContact CB-CG 4.43Å; H133-L179 CarbonylContact O-C 3.43Å; H133-L179 WeakPolarHBondContact O-CA 3.3Å; D134-L179 HydrophobicContact CB-CD2 3.77Å; L179-L186 CarbonylContact O-C 3.55Å; L179-L186 VanDerWaalsContact O-CA 3.23Å; L179-L186 WeakPolarHBondContact O-CA 3.41Å; L179-K187 HydrophobicContact CB-CB 4.47Å; L179-K187 PolarHBondContact N-O 3.26Å; L179-K187 PolarHBondContact O-N 3.42Å; L179-A189 HydrophobicContact CD1-CB 3.5Å; L179-A189 VanDerWaalsContact CD1-CB 3.5Å; L179-A189 HydrophobicContact CG-CB 3.72Å
180I97.5Very high96.2Very high0 Ų022.4 Ų22.40%012%0.117CC..EExtended strand (participates in β ladder)trans-134.5126.7172.2-53.1178.1000108.8D132 H133 L138 I185 L186 L348 F351D132-I180 PolarHBondContact N-O 3.31Å; D132-I180 VanDerWaalsContact N-O 3.15Å; H133-I180 HydrophobicContact CB-CB 4.34Å; H133-I180 PolarHBondContact N-O 3.5Å; H133-I180 VanDerWaalsContact N-O 3.14Å; H133-I180 PolarHBondContact O-N 3.29Å; L138-I180 HydrophobicContact CD1-CD1 3.66Å; L138-I180 HydrophobicContact CD1-CG1 4.46Å; I180-I185 WeakPolarHBondContact CA-O 3.47Å; I180-L186 HydrophobicContact CG1-CB 4.36Å; I180-L348 HydrophobicContact CD1-CD1 4.23Å; I180-L348 HydrophobicContact CG2-CB 4.38Å; I180-F351 HydrophobicContact CD1-CD2 4.04Å; I180-F351 HydrophobicContact CD1-CE2 3.82Å
181D95.3Very high96.1Very high16 Ų1622.5 Ų22.59%0.08612%0.117CC..  trans-81.7168.3176.385.3-5.9000112.5N183 G184 I185D181-N183 PolarHBondContact O-N 3.32Å; D181-N183 VanDerWaalsContact OD1-CA 3.29Å; D181-N183 WeakPolarHBondContact OD1-CA 3.35Å; D181-N183 WeakPolarHBondContact OD1-CB 3.48Å; D181-N183 PolarHBondContact OD1-N 3.34Å; D181-N183 PolarHBondContact OD2-ND2 3.23Å; D181-N183 VanDerWaalsContact OD2-ND2 3.15Å; D181-G184 PolarHBondContact O-N 2.93Å; D181-G184 PolarHBondContact OD1-N 3.35Å; D181-G184 VanDerWaalsContact OD1-N 3.11Å; D181-I185 PolarHBondContact N-O 3.3Å; D181-I185 PolarHBondContact OD1-N 2.98Å
182K93.8Very high95.8Very high134 Ų13422.5 Ų22.558%0.58312%0.118SC*.THydrogen-bonded Turntrans-55.5-18.5175.866.1177.5-174.8173.70115.9D132 S352D132-K182 WeakPolarHBondContact OD2-CB 3.38Å; D132-K182 PolarHBondContact OD2-N 3.25Å; D132-K182 VanDerWaalsContact OD2-N 3.07Å; K182-S352 WeakPolarHBondContact CA-OG 3.31Å
183N94.9Very high95.4Very high89 Ų8924.5 Ų24.548%0.47613%0.129SC..THydrogen-bonded Turntrans-954.8-178.8-51.4-57.7000111.8D181 I185 R349D181-N183 PolarHBondContact O-N 3.32Å; D181-N183 VanDerWaalsContact OD1-CA 3.29Å; D181-N183 WeakPolarHBondContact OD1-CA 3.35Å; D181-N183 WeakPolarHBondContact OD1-CB 3.48Å; D181-N183 PolarHBondContact OD1-N 3.34Å; D181-N183 PolarHBondContact OD2-ND2 3.23Å; D181-N183 VanDerWaalsContact OD2-ND2 3.15Å; N183-I185 VanDerWaalsContact C-N 3.34Å; N183-I185 HydrophobicContact CB-CG1 4.33Å; N183-R349 WeakPolarHBondContact O-CG 3.27Å
184G95.8Very high95.1Very high3 Ų324.5 Ų24.53%0.03113%0.129CC..SBendtrans76.920.4-179.100000113.7Q155 D181 L348Q155-G184 PolarHBondContact NE2-O 2.88Å; D181-G184 PolarHBondContact O-N 2.93Å; D181-G184 PolarHBondContact OD1-N 3.35Å; D181-G184 VanDerWaalsContact OD1-N 3.11Å; G184-L348 WeakPolarHBondContact O-CB 3.3Å
185I97.9Very high94.7Very high45 Ų4526 Ų2623%0.23113%0.134CC..  trans-93.2116.8175.1-52.4-56.8000108.9E101 I180 D181 N183 K187E101-I185 HydrophobicContact CB-CG2 4.35Å; E101-I185 WeakPolarHBondContact O-CG2 3.49Å; I180-I185 WeakPolarHBondContact CA-O 3.47Å; D181-I185 PolarHBondContact N-O 3.3Å; D181-I185 PolarHBondContact OD1-N 2.98Å; N183-I185 VanDerWaalsContact C-N 3.34Å; N183-I185 HydrophobicContact CB-CG1 4.33Å; I185-K187 HydrophobicContact CG2-CG 4.48Å
186L98.4Very high94.1Very high0 Ų029.3 Ų29.30%015%0.153CC..EExtended strand (participates in β ladder)trans-76.6135.4174.2176.5158.6000109.6N102 I152 Q155 L156 I178 L179 I180 L348N102-L186 WeakPolarHBondContact CA-O 3.36Å; N102-L186 WeakPolarHBondContact CB-O 3.38Å; N102-L186 PolarHBondContact ND2-O 3.38Å; I152-L186 HydrophobicContact CB-CD1 4.4Å; I152-L186 HydrophobicContact CG2-CD1 3.9Å; I152-L186 WeakPolarHBondContact O-CD1 3.36Å; Q155-L186 HydrophobicContact CB-CB 3.8Å; Q155-L186 HydrophobicContact CB-CD1 4.35Å; Q155-L186 HydrophobicContact CB-CD2 4.35Å; Q155-L186 HydrophobicContact CB-CG 4.41Å; L156-L186 HydrophobicContact CB-CD1 4.3Å; L156-L186 HydrophobicContact CB-CD2 4.28Å; I178-L186 HydrophobicContact CG2-CD1 3.43Å; I178-L186 VanDerWaalsContact CG2-CD1 3.43Å; I178-L186 HydrophobicContact CG2-CD2 3.83Å; I178-L186 HydrophobicContact CG2-CG 3.5Å; L179-L186 CarbonylContact O-C 3.55Å; L179-L186 VanDerWaalsContact O-CA 3.23Å; L179-L186 WeakPolarHBondContact O-CA 3.41Å; I180-L186 HydrophobicContact CG1-CB 4.36Å; L186-L348 HydrophobicContact CB-CD1 4.43Å
187K98.6Very high93.3Very high15 Ų1528.3 Ų28.37%0.06515%0.145CC..EExtended strand (participates in β ladder)trans-130.9124.8-178.9-71.3166.2-179.8-70.60110.9E101 N102 E129 L179 I185E101-K187 WeakPolarHBondContact O-CG 3.07Å; E101-K187 PolarHBondContact O-NZ 3.42Å; N102-K187 CarbonylContact O-C 3.45Å; N102-K187 WeakPolarHBondContact O-CA 3.36Å; E129-K187 HydrophobicContact CG-CD 4.27Å; E129-K187 WeakPolarHBondContact OE1-CD 2.93Å; E129-K187 WeakPolarHBondContact OE1-CE 3.3Å; E129-K187 IonicContact OE1-NZ 3.6Å; E129-K187 PolarHBondContact OE1-NZ 2.89Å; E129-K187 WeakPolarHBondContact OE2-CE 3.25Å; E129-K187 IonicContact OE2-NZ 3.62Å; E129-K187 PolarHBondContact OE2-NZ 3.31Å; L179-K187 HydrophobicContact CB-CB 4.47Å; L179-K187 PolarHBondContact N-O 3.26Å; L179-K187 PolarHBondContact O-N 3.42Å; I185-K187 HydrophobicContact CG2-CG 4.48Å
188I98.6Very high91.8Very high0 Ų030.9 Ų30.90%016%0.16CC..EExtended strand (participates in β ladder)trans-71.7130.1169.7-56.9173.6000108.2N102 I103 V104 L156 V160 L163 L173 I178 F191N102-I188 PolarHBondContact O-N 2.98Å; I103-I188 HydrophobicContact CD1-CB 4.05Å; I103-I188 HydrophobicContact CD1-CD1 4.02Å; I103-I188 HydrophobicContact CD1-CG1 4.37Å; V104-I188 PolarHBondContact N-O 3.35Å; L156-I188 HydrophobicContact CD1-CD1 4.01Å; L156-I188 HydrophobicContact CD1-CG1 4Å; V160-I188 HydrophobicContact CG2-CD1 3.81Å; L163-I188 HydrophobicContact CD1-CD1 4.2Å; L163-I188 HydrophobicContact CD1-CG2 4.49Å; L173-I188 HydrophobicContact CD2-CG2 3.73Å; I178-I188 HydrophobicContact CD1-CG1 4.33Å; I188-F191 HydrophobicContact CG2-CE2 4.43Å; I188-F191 HydrophobicContact CG2-CZ 4.33Å
189A96.8Very high89.8Confident10 Ų1033.2 Ų33.28%0.08318%0.18CC..  trans-131.1170.8-176.400000113V104 H170 N177 L179V104-A189 HydrophobicContact CB-CB 4.17Å; V104-A189 HydrophobicContact CG1-CB 4.06Å; H170-A189 PolarHBondContact CE1-O 3.1Å; H170-A189 PolarHBondContact NE2-O 2.95Å; N177-A189 WeakPolarHBondContact CB-O 3.33Å; N177-A189 PolarHBondContact O-N 3.49Å; L179-A189 HydrophobicContact CD1-CB 3.5Å; L179-A189 VanDerWaalsContact CD1-CB 3.5Å; L179-A189 HydrophobicContact CG-CB 3.72Å
190D93.3Very high87.5Confident36 Ų3635.8 Ų35.819%0.19320%0.201CC..  trans64.675.9-179.3-157.913.7000115.3K73 H170 G192K73-D190 IonicContact NZ-OD1 2.7Å; K73-D190 PolarHBondContact NZ-OD1 2.98Å; H170-D190 PolarHBondContact CE1-O 3.08Å; H170-D190 PolarHBondContact NE2-O 3.45Å; D190-G192 PolarHBondContact O-N 3.37Å
191F93.2Very high85.2Confident2 Ų241.5 Ų41.51%0.00923%0.23CC..G310 helixtrans-85.315.2178.7-74.1-104.2000113E91 I94 L95 L98 I103 V104 L163 V168 H170 I188 L193 A194E91-F191 HydrophobicContact CG-CB 4.07Å; I94-F191 HydrophobicContact CG2-CD1 3.82Å; I94-F191 HydrophobicContact CG2-CE1 4.43Å; L95-F191 HydrophobicContact CD2-CB 4.3Å; L95-F191 HydrophobicContact CD2-CD2 3.61Å; L95-F191 HydrophobicContact CD2-CE2 4.11Å; L95-F191 HydrophobicContact CD2-CG 3.95Å; L95-F191 HydrophobicContact CG-CB 4.21Å; L95-F191 HydrophobicContact CG-CD2 4.43Å; L95-F191 HydrophobicContact CG-CG 4.34Å; L98-F191 HydrophobicContact CD1-CD1 4.17Å; L98-F191 HydrophobicContact CD1-CE1 3.63Å; L98-F191 HydrophobicContact CD1-CZ 4.11Å; I103-F191 HydrophobicContact CD1-CZ 4.38Å; I103-F191 HydrophobicContact CG2-CE2 3.93Å; I103-F191 HydrophobicContact CG2-CZ 3.68Å; V104-F191 HydrophobicContact CG1-CD2 4.36Å; V104-F191 HydrophobicContact CG1-CE2 4.22Å; L163-F191 HydrophobicContact CD1-CE1 4.04Å; L163-F191 HydrophobicContact CD1-CZ 4.06Å; L163-F191 HydrophobicContact CD2-CE1 3.62Å; L163-F191 HydrophobicContact CD2-CZ 3.87Å; V168-F191 HydrophobicContact CG1-CE1 4.37Å; H170-F191 AromaticContact CD2-CE1 3.85Å; H170-F191 AromaticContact CD2-CZ 3.84Å; I188-F191 HydrophobicContact CG2-CE2 4.43Å; I188-F191 HydrophobicContact CG2-CZ 4.33Å; F191-L193 PolarHBondContact O-N 3.05Å; F191-L193 VanDerWaalsContact O-N 3.15Å; F191-A194 HydrophobicContact CB-CB 3.83Å; F191-A194 HydrophobicContact CD1-CB 3.55Å; F191-A194 HydrophobicContact CG-CB 4.13Å; F191-A194 VanDerWaalsContact O-CB 3.31Å; F191-A194 WeakPolarHBondContact O-CB 3.4Å; F191-A194 PolarHBondContact O-N 3.45Å
192G87.8Confident83.2Confident4 Ų447.2 Ų47.24%0.04125%0.25CS..G310 helixtrans-60.5-25.5-179.200000113.8F55 D190F55-G192 VanDerWaalsContact CZ-C 3.48Å; D190-G192 PolarHBondContact O-N 3.37Å
193L88Confident81.4Confident48 Ų4846.4 Ų46.425%0.25126%0.259SS..G310 helixtrans-103.22.8171.8-64.8-176000113.6F55 H170 R171 D172 F191F55-L193 HydrophobicContact CE2-CG 4.19Å; F55-L193 HydrophobicContact CZ-CD2 3.72Å; F55-L193 HydrophobicContact CZ-CG 3.75Å; H170-L193 CarbonylContact O-C 3.57Å; R171-L193 PolarHBondContact NE-O 3.48Å; R171-L193 PolarHBondContact NH2-O 3.17Å; D172-L193 HydrophobicContact CB-CB 4.32Å; D172-L193 HydrophobicContact CB-CD1 4.02Å; F191-L193 PolarHBondContact O-N 3.05Å; F191-L193 VanDerWaalsContact O-N 3.15Å
194A90.6Very high79.5Confident1 Ų147.7 Ų47.71%0.00827%0.266CS..  trans-68.1158-177.100000112.7R90 I94 V168 L169 H170 F191R90-A194 WeakPolarHBondContact CD-O 3.22Å; I94-A194 HydrophobicContact CD1-CB 3.8Å; I94-A194 HydrophobicContact CG2-CB 4.39Å; V168-A194 HydrophobicContact CG1-CB 4.38Å; L169-A194 CarbonylContact O-C 3.41Å; L169-A194 WeakPolarHBondContact O-CA 3.34Å; L169-A194 WeakPolarHBondContact O-CB 3.36Å; H170-A194 WeakPolarHBondContact O-CA 3.15Å; H170-A194 PolarHBondContact O-N 3.25Å; F191-A194 HydrophobicContact CB-CB 3.83Å; F191-A194 HydrophobicContact CD1-CB 3.55Å; F191-A194 HydrophobicContact CG-CB 4.13Å; F191-A194 VanDerWaalsContact O-CB 3.31Å; F191-A194 WeakPolarHBondContact O-CB 3.4Å; F191-A194 PolarHBondContact O-N 3.45Å
195R86.9Confident77.4Confident65 Ų6555.2 Ų55.225%0.24529%0.293CS..EExtended strand (participates in β ladder)trans-153.6140.4176.3-154170.4-162152.54.1112.1L169 T210L169-R195 PolarHBondContact N-O 3.28Å; L169-R195 PolarHBondContact O-N 3.21Å; R195-T210 PolarHBondContact NH1-OG1 3.1Å
196T83.8Confident75.5Confident69 Ų6957.6 Ų57.642%0.42331%0.312SS..EExtended strand (participates in β ladder)trans-70.3135.4167.9-44.90000110.1N167N167-T196 HydrophobicContact CB-CG2 4.43Å; N167-T196 CarbonylContact O-C 3.56Å; N167-T196 WeakPolarHBondContact O-CA 3.39Å; N167-T196 WeakPolarHBondContact O-CG2 3.45Å
197T76.4Confident73.6Confident9 Ų958.4 Ų58.46%0.05532%0.317CS..  trans-83.2139.5170.565.30000110N167 L169 Y209N167-T197 WeakPolarHBondContact CB-OG1 3.43Å; N167-T197 PolarHBondContact O-N 3.41Å; N167-T197 PolarHBondContact O-OG1 2.85Å; L169-T197 HydrophobicContact CD1-CG2 3.61Å; L169-T197 HydrophobicContact CD2-CG2 3.64Å; L169-T197 HydrophobicContact CG-CG2 3.34Å; T197-Y209 WeakPolarHBondContact CA-OH 3.5Å; T197-Y209 WeakPolarHBondContact CB-OH 3.38Å
198V65.1Low72Confident66 Ų6667.6 Ų67.640%0.435%0.351SS..  trans-113.41174.3-58.80000112.3S200 I201 R202 T207 Y209V198-S200 VanDerWaalsContact C-N 3.26Å; V198-S200 PolarHBondContact O-N 3.08Å; V198-I201 PolarHBondContact O-N 3.18Å; V198-R202 PolarHBondContact O-N 3.07Å; V198-T207 HydrophobicContact CG2-CG2 3.39Å; V198-Y209 PolarHBondContact N-OH 2.95Å
199A54.9Low70.8Confident49 Ų4968.2 Ų68.241%0.40535%0.353SS..THydrogen-bonded Turntrans-57.7-38.3-175.700000112.2I201 T207A199-I201 VanDerWaalsContact C-N 3.29Å; A199-I201 PolarHBondContact O-N 3.3Å; A199-T207 HydrophobicContact CB-CG2 4.11Å
200S49.3Very low69.6Low91 Ų9171.5 Ų71.564%0.63637%0.372SS*.THydrogen-bonded Turntrans-72.6-20.4176.6-450000113.6V198V198-S200 VanDerWaalsContact C-N 3.26Å; V198-S200 PolarHBondContact O-N 3.08Å
201I50.6Low68.5Low119 Ų11970.3 Ų70.361%0.6137%0.369SS*.THydrogen-bonded Turntrans-95.2-30.8-175.7-55.8174.1000110.8V198 A199V198-I201 PolarHBondContact O-N 3.18Å; A199-I201 VanDerWaalsContact C-N 3.29Å; A199-I201 PolarHBondContact O-N 3.3Å
202R52.4Low67.8Low136 Ų13679.1 Ų79.151%0.51340%0.402SS..  trans-132.372.9-177.8-66.4-171.6-177.8175.8-0.7110.7V198 D204 R205V198-R202 PolarHBondContact O-N 3.07Å; R202-D204 WeakPolarHBondContact CA-OD1 3.36Å; R202-D204 WeakPolarHBondContact CB-OD1 3.46Å; R202-D204 PolarHBondContact O-N 3.16Å; R202-R205 HydrophobicContact CB-CB 4.4Å; R202-R205 PolarHBondContact O-N 3.37Å; R202-R205 VanDerWaalsContact O-N 3.12Å
203P55.6Low67.3Low117 Ų11779.2 Ų79.276%0.7640%0.402SS*.THydrogen-bonded Turntrans-62.1-21.5176.425.3-32.9000112.3R205P203-R205 VanDerWaalsContact C-N 3.3Å; P203-R205 PolarHBondContact O-N 3.42Å
204D55.1Low67Low116 Ų11677.3 Ų77.362%0.6239%0.392SS*.THydrogen-bonded Turntrans-73.3-16.1176.968.9-49.6000114R202R202-D204 WeakPolarHBondContact CA-OD1 3.36Å; R202-D204 WeakPolarHBondContact CB-OD1 3.46Å; R202-D204 PolarHBondContact O-N 3.16Å
205R53.3Low66.9Low161 Ų16179.2 Ų79.261%0.60840%0.404SS*.SBendtrans-124.798.9-178.4-67.3-170.8-174.3-161.8-0.4110.5R202 P203 T207R202-R205 HydrophobicContact CB-CB 4.4Å; R202-R205 PolarHBondContact O-N 3.37Å; R202-R205 VanDerWaalsContact O-N 3.12Å; P203-R205 VanDerWaalsContact C-N 3.3Å; P203-R205 PolarHBondContact O-N 3.42Å; R205-T207 PolarHBondContact O-N 3.25Å; R205-T207 VanDerWaalsContact O-N 3.12Å
206P56Low67.3Low95 Ų9577.7 Ų77.762%0.61740%0.4SS*.  trans-56.3124.9177.123.3-32.4000109.2R208P206-R208 PolarHBondContact O-N 3.14Å
207T59.7Low67.9Low17 Ų1777.4 Ų77.410%0.10439%0.392CS..  trans-69.6120.2-174.847.90000109.8V198 A199 R205 Y209 H229V198-T207 HydrophobicContact CG2-CG2 3.39Å; A199-T207 HydrophobicContact CB-CG2 4.11Å; R205-T207 PolarHBondContact O-N 3.25Å; R205-T207 VanDerWaalsContact O-N 3.12Å; T207-Y209 HydrophobicContact CG2-CE2 4.33Å; T207-Y209 WeakPolarHBondContact OG1-CE2 3.39Å; T207-H229 PolarHBondContact O-CD2 3.39Å
208R65Low68.9Low209 Ų20977.6 Ų77.679%0.78939%0.391SS*.  trans-95.293.6169.5-70.2-174.1178.5-1570.1109.5P206P206-R208 PolarHBondContact O-N 3.14Å
209Y73Confident70.4Confident13 Ų1375.6 Ų75.65%0.05138%0.377CS..  trans-81.2159.2175.1-62.1-62.7000111.8T197 V198 T207 R228 Y230T197-Y209 WeakPolarHBondContact CA-OH 3.5Å; T197-Y209 WeakPolarHBondContact CB-OH 3.38Å; V198-Y209 PolarHBondContact N-OH 2.95Å; T207-Y209 HydrophobicContact CG2-CE2 4.33Å; T207-Y209 WeakPolarHBondContact OG1-CE2 3.39Å; Y209-R228 PolarHBondContact N-O 3.4Å; Y209-R228 WeakPolarHBondContact O-CD 3.39Å; Y209-Y230 VanDerWaalsContact CB-CE1 3.5Å; Y209-Y230 VanDerWaalsContact CB-OH 3.32Å; Y209-Y230 WeakPolarHBondContact CB-OH 3.4Å; Y209-Y230 HydrophobicContact CD2-CD2 4.13Å; Y209-Y230 HydrophobicContact CD2-CE2 4.04Å; Y209-Y230 HydrophobicContact CD2-CG 4.41Å; Y209-Y230 VanDerWaalsContact CD2-O 3.24Å; Y209-Y230 WeakPolarHBondContact CD2-O 3.26Å; Y209-Y230 WeakPolarHBondContact CE2-O 3.48Å; Y209-Y230 HydrophobicContact CG-CE1 4.45Å; Y209-Y230 HydrophobicContact CG-CE2 4.12Å
210T72.3Confident72.4Confident78 Ų7873.3 Ų73.348%0.47936%0.357SS..  trans-64.4137.1177.2-51.90000110.8R195 Y230R195-T210 PolarHBondContact NH1-OG1 3.1Å; T210-Y230 WeakPolarHBondContact O-CE1 3.41Å; T210-Y230 PolarHBondContact O-OH 2.88Å
211G68.4Low74.7Confident12 Ų1269 Ų6912%0.12433%0.327CS..SBendtrans-73.3178.3170.800000114.6V213 R228G211-V213 PolarHBondContact O-N 2.99Å; G211-R228 VanDerWaalsContact CA-CZ 3.44Å
212R79.3Confident76.9Confident187 Ų18763.3 Ų63.371%0.70630%0.298SS*.SBendtrans5044174.9-65.4-171.3171.3162.23.2113.6E258R212-E258 IonicContact NE-OE1 2.94Å; R212-E258 PolarHBondContact NE-OE1 2.94Å; R212-E258 IonicContact NE-OE2 3.71Å; R212-E258 IonicContact NH2-OE2 2.69Å
213V78.2Confident78.9Confident6 Ų657.2 Ų57.24%0.03628%0.275CS..  trans-94.2170.5168.1-66.60000109.6R171 G211 R219 I223 Y230R171-V213 HydrophobicContact CB-CB 4.28Å; R171-V213 HydrophobicContact CB-CG2 4.39Å; G211-V213 PolarHBondContact O-N 2.99Å; V213-R219 PolarHBondContact O-NE 3.02Å; V213-I223 HydrophobicContact CG2-CD1 3.97Å; V213-I223 HydrophobicContact CG2-CG1 4.43Å; V213-I223 HydrophobicContact CG2-CG2 4.12Å; V213-Y230 HydrophobicContact CG2-CE2 4.49Å; V213-Y230 WeakPolarHBondContact CG2-OH 3.46Å
214V81.6Confident80.8Confident7 Ų752 Ų524%0.04224%0.242CC..SBendtrans66.9135.2-176.2-164.20000113R171 L216 Y218 R219 V234R171-V214 HydrophobicContact CB-CG2 4.43Å; R171-V214 WeakPolarHBondContact O-CA 3.22Å; R171-V214 WeakPolarHBondContact O-CG2 3.32Å; R171-V214 PolarHBondContact O-N 3.4Å; V214-L216 PolarHBondContact O-N 3.32Å; V214-Y218 WeakPolarHBondContact CG1-O 3.38Å; V214-R219 HydrophobicContact CB-CB 4.23Å; V214-R219 HydrophobicContact CB-CG 4.33Å; V214-R219 HydrophobicContact CG1-CB 4.34Å; V214-R219 PolarHBondContact O-NE 2.83Å; V214-R219 PolarHBondContact O-NH2 3.17Å; V214-V234 HydrophobicContact CG2-CG1 3.75Å
215T88.2Confident82.6Confident41 Ų4146.6 Ų46.625%0.25221%0.212SC..  trans-54.8132.5168.5-60.80000110.3D172 K174 W217 Y218 R219D172-T215 WeakPolarHBondContact OD1-CB 3.47Å; D172-T215 PolarHBondContact OD1-N 2.97Å; D172-T215 PolarHBondContact OD1-OG1 3.24Å; K174-T215 HydrophobicContact CD-CG2 4.34Å; K174-T215 WeakPolarHBondContact CD-OG1 3.42Å; K174-T215 PolarHBondContact NZ-OG1 3.31Å; K174-T215 VanDerWaalsContact NZ-OG1 3.08Å; T215-W217 VanDerWaalsContact C-N 3.3Å; T215-W217 PolarHBondContact O-N 3.41Å; T215-W217 VanDerWaalsContact O-N 3.08Å; T215-Y218 HydrophobicContact CG2-CD2 4.48Å; T215-Y218 PolarHBondContact O-N 3.04Å; T215-R219 PolarHBondContact O-N 3.02Å
216L94.7Very high84.5Confident34 Ų3441.7 Ų41.718%0.17820%0.198CC..G310 helixtrans-48.2-44.9-166.4-177.160.5000114.4V214 Y218 R219 L224 G255 E258 Q261V214-L216 PolarHBondContact O-N 3.32Å; L216-Y218 PolarHBondContact O-N 3.21Å; L216-R219 VanDerWaalsContact O-CB 3.27Å; L216-R219 WeakPolarHBondContact O-CB 3.34Å; L216-R219 PolarHBondContact O-N 3.5Å; L216-R219 VanDerWaalsContact O-N 3.1Å; L216-L224 HydrophobicContact CD1-CD2 4.05Å; L216-G255 WeakPolarHBondContact CD2-O 3.29Å; L216-E258 HydrophobicContact CD1-CG 4.25Å; L216-Q261 HydrophobicContact CD1-CB 3.74Å; L216-Q261 HydrophobicContact CD1-CG 3.93Å; L216-Q261 HydrophobicContact CG-CB 4.09Å; L216-Q261 HydrophobicContact CG-CG 4.19Å; L216-Q261 VanDerWaalsContact O-CD 3.25Å; L216-Q261 WeakPolarHBondContact O-CG 3.28Å; L216-Q261 PolarHBondContact O-OE1 3.06Å
217W96.5Very high86.1Confident63 Ų6338.5 Ų38.524%0.23918%0.176CC..G310 helixtrans-66.9-19.9-176.8-57.9-15.6000114.8T215 P251 M253 Q254 G255 N404T215-W217 VanDerWaalsContact C-N 3.3Å; T215-W217 PolarHBondContact O-N 3.41Å; T215-W217 VanDerWaalsContact O-N 3.08Å; W217-P251 HydrophobicContact CB-CB 4.43Å; W217-P251 HydrophobicContact CE3-CB 3.85Å; W217-P251 HydrophobicContact CE3-CG 3.72Å; W217-P251 HydrophobicContact CZ3-CB 4.48Å; W217-P251 HydrophobicContact CZ3-CG 4Å; W217-M253 WeakPolarHBondContact CA-O 3.41Å; W217-M253 WeakPolarHBondContact CB-O 3.43Å; W217-Q254 HydrophobicContact CD2-CB 4.28Å; W217-Q254 HydrophobicContact CD2-CG 3.9Å; W217-Q254 HydrophobicContact CE3-CG 4.09Å; W217-Q254 HydrophobicContact CG-CG 4.36Å; W217-Q254 HydrophobicContact CH2-CG 4.31Å; W217-Q254 HydrophobicContact CZ2-CB 4.17Å; W217-Q254 HydrophobicContact CZ2-CG 4.16Å; W217-Q254 HydrophobicContact CZ3-CG 4.28Å; W217-G255 PolarHBondContact NE1-O 3.41Å; W217-N404 HydrophobicContact CH2-CB 4.17Å
218Y97.5Very high87.3Confident13 Ų1341.7 Ų41.75%0.05119%0.186CC..G310 helixtrans-110.86.2178.2-58.8-95.6000111.3L173 K174 V214 T215 L216 W237 C241 I242 E245L173-Y218 WeakPolarHBondContact O-CB 3.48Å; K174-Y218 HydrophobicContact CB-CD1 4.26Å; K174-Y218 HydrophobicContact CB-CD2 3.59Å; K174-Y218 HydrophobicContact CB-CE1 4.2Å; K174-Y218 HydrophobicContact CB-CE2 3.48Å; K174-Y218 VanDerWaalsContact CB-CE2 3.48Å; K174-Y218 HydrophobicContact CB-CG 3.99Å; V214-Y218 WeakPolarHBondContact CG1-O 3.38Å; T215-Y218 HydrophobicContact CG2-CD2 4.48Å; T215-Y218 PolarHBondContact O-N 3.04Å; L216-Y218 PolarHBondContact O-N 3.21Å; Y218-W237 VanDerWaalsContact O-CD1 3.25Å; Y218-C241 HydrophobicContact CD1-CB 3.62Å; Y218-C241 HydrophobicContact CE1-CB 4.07Å; Y218-I242 HydrophobicContact CD1-CG1 4.26Å; Y218-I242 HydrophobicContact CE1-CG1 3.89Å; Y218-E245 PolarHBondContact OH-OE2 3.27Å
219R97.2Very high88.1Confident24 Ų2436.1 Ų36.19%0.09117%0.169CC..  trans-77.3127.1-175.3-173.5-179.4-71.1168.74.6109.9V213 V214 T215 L216 I223 L224 E258V213-R219 PolarHBondContact O-NE 3.02Å; V214-R219 HydrophobicContact CB-CB 4.23Å; V214-R219 HydrophobicContact CB-CG 4.33Å; V214-R219 HydrophobicContact CG1-CB 4.34Å; V214-R219 PolarHBondContact O-NE 2.83Å; V214-R219 PolarHBondContact O-NH2 3.17Å; T215-R219 PolarHBondContact O-N 3.02Å; L216-R219 VanDerWaalsContact O-CB 3.27Å; L216-R219 WeakPolarHBondContact O-CB 3.34Å; L216-R219 PolarHBondContact O-N 3.5Å; L216-R219 VanDerWaalsContact O-N 3.1Å; R219-I223 HydrophobicContact CG-CB 3.75Å; R219-I223 HydrophobicContact CG-CG2 3.72Å; R219-L224 HydrophobicContact CG-CD2 4.27Å; R219-L224 HydrophobicContact CG-CG 4Å; R219-E258 IonicContact CZ-OE1 2.78Å; R219-E258 IonicContact NH1-OE1 2.72Å; R219-E258 PolarHBondContact NH1-OE1 2.81Å
220P97.4Very high88.9Confident0 Ų035.9 Ų35.90%017%0.168CC..  trans-76.9160.7-17835.7-40.7000112E222 I223 L224 V234 W237P220-E222 VanDerWaalsContact C-N 3.28Å; P220-E222 WeakPolarHBondContact CB-OE1 3.45Å; P220-E222 WeakPolarHBondContact CB-OE2 3.44Å; P220-E222 HydrophobicContact CG-CG 4.28Å; P220-E222 PolarHBondContact O-N 3.23Å; P220-I223 HydrophobicContact CG-CB 4.14Å; P220-I223 HydrophobicContact CG-CG1 3.58Å; P220-I223 PolarHBondContact O-N 2.8Å; P220-I223 VanDerWaalsContact O-N 3.1Å; P220-L224 PolarHBondContact O-N 3.07Å; P220-V234 HydrophobicContact CG-CB 4.27Å; P220-V234 HydrophobicContact CG-CG1 3.99Å; P220-V234 HydrophobicContact CG-CG2 4.09Å; P220-W237 HydrophobicContact CB-CB 3.7Å; P220-W237 HydrophobicContact CB-CD2 3.88Å; P220-W237 HydrophobicContact CB-CG 3.48Å; P220-W237 VanDerWaalsContact CB-CG 3.48Å
221P97.1Very high89.7Confident0 Ų033.4 Ų33.40%016%0.158CC..Hα-helixtrans-59.4-35.3-176.624.7-35.1000112.9I223 L224 L225 W237 I265 I272 W277 L322P221-I223 VanDerWaalsContact C-N 3.3Å; P221-I223 PolarHBondContact O-N 3.05Å; P221-L224 PolarHBondContact O-N 3.25Å; P221-L225 WeakPolarHBondContact O-CB 3.47Å; P221-L225 WeakPolarHBondContact O-CG 3.28Å; P221-L225 PolarHBondContact O-N 3.08Å; P221-W237 HydrophobicContact CG-CH2 4.34Å; P221-W237 HydrophobicContact CG-CZ3 4.17Å; P221-I265 HydrophobicContact CB-CG2 4.46Å; P221-I272 HydrophobicContact CB-CD1 4.2Å; P221-W277 HydrophobicContact CB-CZ3 4.13Å; P221-W277 HydrophobicContact CG-CZ3 4.37Å; P221-L322 HydrophobicContact CB-CD2 4.4Å; P221-L322 HydrophobicContact CG-CD2 4.07Å
222E95.6Very high91Very high1 Ų136.7 Ų36.71%0.00517%0.169CC..Hα-helixtrans-63.3-31.7176.864.1-87.4-162.900114.4P220 N226 D227 V234 W277 P324 R327P220-E222 VanDerWaalsContact C-N 3.28Å; P220-E222 WeakPolarHBondContact CB-OE1 3.45Å; P220-E222 WeakPolarHBondContact CB-OE2 3.44Å; P220-E222 HydrophobicContact CG-CG 4.28Å; P220-E222 PolarHBondContact O-N 3.23Å; E222-N226 PolarHBondContact O-N 2.95Å; E222-D227 HydrophobicContact CB-CB 4.3Å; E222-D227 VanDerWaalsContact O-CB 3.28Å; E222-D227 WeakPolarHBondContact O-CB 3Å; E222-D227 PolarHBondContact O-N 2.96Å; E222-V234 HydrophobicContact CG-CG2 4.31Å; E222-W277 HydrophobicContact CB-CH2 3.63Å; E222-W277 HydrophobicContact CB-CZ2 3.99Å; E222-P324 HydrophobicContact CB-CG 4.35Å; E222-P324 HydrophobicContact CG-CG 4.4Å; E222-R327 IonicContact OE1-CZ 3.93Å; E222-R327 IonicContact OE1-NH1 2.81Å; E222-R327 PolarHBondContact OE1-NH1 2.94Å; E222-R327 IonicContact OE1-NH2 3.96Å; E222-R327 IonicContact OE2-CZ 3.66Å; E222-R327 IonicContact OE2-NH1 2.74Å; E222-R327 IonicContact OE2-NH2 3.05Å; E222-R327 PolarHBondContact OE2-NH2 2.72Å
223I94.7Very high91.9Very high7 Ų729.3 Ų29.34%0.03615%0.145CC..Hα-helixtrans-78.1-36.3175.3-58.8-65.1000110.5V213 R219 P220 P221 N226 Y230 V234V213-I223 HydrophobicContact CG2-CD1 3.97Å; V213-I223 HydrophobicContact CG2-CG1 4.43Å; V213-I223 HydrophobicContact CG2-CG2 4.12Å; R219-I223 HydrophobicContact CG-CB 3.75Å; R219-I223 HydrophobicContact CG-CG2 3.72Å; P220-I223 HydrophobicContact CG-CB 4.14Å; P220-I223 HydrophobicContact CG-CG1 3.58Å; P220-I223 PolarHBondContact O-N 2.8Å; P220-I223 VanDerWaalsContact O-N 3.1Å; P221-I223 VanDerWaalsContact C-N 3.3Å; P221-I223 PolarHBondContact O-N 3.05Å; I223-N226 PolarHBondContact O-N 3.15Å; I223-N226 VanDerWaalsContact O-N 3.16Å; I223-Y230 HydrophobicContact CD1-CD1 3.19Å; I223-Y230 HydrophobicContact CD1-CD2 3.93Å; I223-Y230 HydrophobicContact CD1-CE1 3.42Å; I223-Y230 VanDerWaalsContact CD1-CE1 3.42Å; I223-Y230 HydrophobicContact CD1-CE2 4.15Å; I223-Y230 HydrophobicContact CD1-CG 3.43Å; I223-Y230 VanDerWaalsContact CD1-CG 3.43Å; I223-V234 HydrophobicContact CD1-CG2 4.05Å; I223-V234 HydrophobicContact CG1-CG1 4.39Å; I223-V234 HydrophobicContact CG1-CG2 4.07Å
224L95.2Very high92.7Very high9 Ų929.2 Ų29.25%0.04714%0.144CC..Hα-helixtrans-67.3-37176.2-71.7166000112.2L216 R219 P220 P221 N226 E258 Q261 L262 I265L216-L224 HydrophobicContact CD1-CD2 4.05Å; R219-L224 HydrophobicContact CG-CD2 4.27Å; R219-L224 HydrophobicContact CG-CG 4Å; P220-L224 PolarHBondContact O-N 3.07Å; P221-L224 PolarHBondContact O-N 3.25Å; L224-N226 PolarHBondContact O-N 3.1Å; L224-E258 HydrophobicContact CD2-CB 3.91Å; L224-E258 HydrophobicContact CD2-CG 4.06Å; L224-Q261 HydrophobicContact CD1-CB 4.24Å; L224-Q261 HydrophobicContact CD1-CG 3.76Å; L224-Q261 HydrophobicContact CD2-CB 4.35Å; L224-Q261 HydrophobicContact CD2-CG 4.39Å; L224-L262 HydrophobicContact CB-CD1 4.36Å; L224-L262 HydrophobicContact CD1-CB 4.46Å; L224-L262 HydrophobicContact CD1-CD1 4.32Å; L224-I265 HydrophobicContact CD1-CD1 3.39Å
225L94.6Very high93.5Very high1 Ų129 Ų291%0.00514%0.143CC..THydrogen-bonded Turntrans-80.512.6172.7-63.5179.5000113.2P221 D227 L262 I272 W277 V280 L283 T285 F286 L291P221-L225 WeakPolarHBondContact O-CB 3.47Å; P221-L225 WeakPolarHBondContact O-CG 3.28Å; P221-L225 PolarHBondContact O-N 3.08Å; L225-D227 PolarHBondContact O-N 3.18Å; L225-L262 HydrophobicContact CD2-CD2 3.75Å; L225-I272 HydrophobicContact CD1-CD1 4.08Å; L225-I272 HydrophobicContact CD1-CG2 4.27Å; L225-W277 HydrophobicContact CD1-CE3 4.48Å; L225-W277 HydrophobicContact CD1-CH2 4.09Å; L225-W277 HydrophobicContact CD1-CZ3 3.69Å; L225-V280 HydrophobicContact CD1-CG2 3.81Å; L225-L283 HydrophobicContact CB-CD1 3.67Å; L225-L283 HydrophobicContact CD1-CD1 4.07Å; L225-T285 HydrophobicContact CD2-CG2 4.31Å; L225-F286 HydrophobicContact CD1-CB 4.49Å; L225-F286 HydrophobicContact CD2-CB 4.25Å; L225-L291 HydrophobicContact CD2-CD1 4.12Å
226N91.5Very high94Very high59 Ų5927 Ų2732%0.31613%0.131SC..THydrogen-bonded Turntrans61.126.2172.2-161.945.2000114.7E222 I223 L224 R228 T285E222-N226 PolarHBondContact O-N 2.95Å; I223-N226 PolarHBondContact O-N 3.15Å; I223-N226 VanDerWaalsContact O-N 3.16Å; L224-N226 PolarHBondContact O-N 3.1Å; N226-R228 PolarHBondContact O-N 3.08Å; N226-R228 PolarHBondContact OD1-NH1 3.4Å; N226-R228 PolarHBondContact OD1-NH2 3.29Å; N226-T285 WeakPolarHBondContact CB-OG1 3.38Å
227D90.4Very high94.2Very high28 Ų2825.4 Ų25.415%0.1512%0.123CC..  trans-61.4133.4170.5-168.71.8000109.4E222 L225 H229 Y230 L283E222-D227 HydrophobicContact CB-CB 4.3Å; E222-D227 VanDerWaalsContact O-CB 3.28Å; E222-D227 WeakPolarHBondContact O-CB 3Å; E222-D227 PolarHBondContact O-N 2.96Å; L225-D227 PolarHBondContact O-N 3.18Å; D227-H229 IonicContact OD1-CG 3.77Å; D227-H229 PolarHBondContact OD1-N 2.89Å; D227-H229 IonicContact OD1-ND1 3.93Å; D227-H229 PolarHBondContact OD1-ND1 3.23Å; D227-Y230 WeakPolarHBondContact O-CD1 3.45Å; D227-L283 HydrophobicContact CB-CD1 4.31Å; D227-L283 HydrophobicContact CB-CD2 3.79Å
228R83.8Confident94.3Very high83 Ų8322.5 Ų22.531%0.31311%0.112SC..SBendtrans-100.4-10.1-179.9-69.2-77-175.9-930.1112Y209 G211 N226Y209-R228 PolarHBondContact N-O 3.4Å; Y209-R228 WeakPolarHBondContact O-CD 3.39Å; G211-R228 VanDerWaalsContact CA-CZ 3.44Å; N226-R228 PolarHBondContact O-N 3.08Å; N226-R228 PolarHBondContact OD1-NH1 3.4Å; N226-R228 PolarHBondContact OD1-NH2 3.29Å
229H83.7Confident94.4Very high92 Ų9221.9 Ų21.943%0.42611%0.11SC..SBendtrans-105.929.8-176.2-50.798.2000112.4T207 D227T207-H229 PolarHBondContact O-CD2 3.39Å; D227-H229 IonicContact OD1-CG 3.77Å; D227-H229 PolarHBondContact OD1-N 2.89Å; D227-H229 IonicContact OD1-ND1 3.93Å; D227-H229 PolarHBondContact OD1-ND1 3.23Å
230Y88.4Confident94.4Very high8 Ų820.8 Ų20.83%0.03111%0.106CC..  trans-70.5164.217862.6-99.9000112.8L169 R171 Y209 T210 V213 I223 D227 V234L169-Y230 HydrophobicContact CD1-CD2 4.19Å; L169-Y230 HydrophobicContact CD1-CE2 4.15Å; R171-Y230 PolarHBondContact NH1-OH 3.25Å; Y209-Y230 VanDerWaalsContact CB-CE1 3.5Å; Y209-Y230 VanDerWaalsContact CB-OH 3.32Å; Y209-Y230 WeakPolarHBondContact CB-OH 3.4Å; Y209-Y230 HydrophobicContact CD2-CD2 4.13Å; Y209-Y230 HydrophobicContact CD2-CE2 4.04Å; Y209-Y230 HydrophobicContact CD2-CG 4.41Å; Y209-Y230 VanDerWaalsContact CD2-O 3.24Å; Y209-Y230 WeakPolarHBondContact CD2-O 3.26Å; Y209-Y230 WeakPolarHBondContact CE2-O 3.48Å; Y209-Y230 HydrophobicContact CG-CE1 4.45Å; Y209-Y230 HydrophobicContact CG-CE2 4.12Å; T210-Y230 WeakPolarHBondContact O-CE1 3.41Å; T210-Y230 PolarHBondContact O-OH 2.88Å; V213-Y230 HydrophobicContact CG2-CE2 4.49Å; V213-Y230 WeakPolarHBondContact CG2-OH 3.46Å; I223-Y230 HydrophobicContact CD1-CD1 3.19Å; I223-Y230 HydrophobicContact CD1-CD2 3.93Å; I223-Y230 HydrophobicContact CD1-CE1 3.42Å; I223-Y230 VanDerWaalsContact CD1-CE1 3.42Å; I223-Y230 HydrophobicContact CD1-CE2 4.15Å; I223-Y230 HydrophobicContact CD1-CG 3.43Å; I223-Y230 VanDerWaalsContact CD1-CG 3.43Å; D227-Y230 WeakPolarHBondContact O-CD1 3.45Å; Y230-V234 HydrophobicContact CD2-CG2 3.79Å; Y230-V234 HydrophobicContact CG-CG2 4.05Å
231G90.6Very high94.5Very high26 Ų2620.9 Ų20.927%0.26811%0.106SC..  trans-145.8-148.4-178.400000113.7P233 V234G231-P233 VanDerWaalsContact C-N 3.3Å; G231-V234 WeakPolarHBondContact O-CB 3.36Å; G231-V234 WeakPolarHBondContact O-CG2 3.38Å; G231-V234 PolarHBondContact O-N 3.2Å
232K94.8Very high94.5Very high81 Ų8120.9 Ų20.935%0.35211%0.106SC..THydrogen-bonded Turntrans-48.2-38.2178.6-67.9175176.2-171.70115H164 L169 V234 D235H164-K232 HydrophobicContact CB-CD 3.76Å; H164-K232 HydrophobicContact CB-CG 4.09Å; H164-K232 PolarHBondContact CE1-O 3.15Å; H164-K232 WeakPolarHBondContact O-CE 3.37Å; H164-K232 PolarHBondContact O-NZ 2.96Å; L169-K232 HydrophobicContact CD2-CB 4.35Å; L169-K232 HydrophobicContact CD2-CG 3.95Å; K232-V234 PolarHBondContact O-N 2.92Å; K232-D235 PolarHBondContact O-N 3.16Å; K232-D235 VanDerWaalsContact O-N 3.1Å
233P97.2Very high94.7Very high33 Ų3320.9 Ų20.921%0.21411%0.106CC..Hα-helixtrans-57.5-22-179.6-29.237.7000115.3G231 D235 M236 W237 P324 R327G231-P233 VanDerWaalsContact C-N 3.3Å; P233-D235 VanDerWaalsContact C-N 3.3Å; P233-D235 PolarHBondContact O-N 3.44Å; P233-M236 PolarHBondContact O-N 3.4Å; P233-W237 PolarHBondContact O-N 3.47Å; P233-W237 VanDerWaalsContact O-N 3.07Å; P233-P324 HydrophobicContact CB-CB 3.7Å; P233-P324 WeakPolarHBondContact CB-O 3.49Å; P233-P324 HydrophobicContact CG-CB 4.13Å; P233-P324 WeakPolarHBondContact CG-O 3.13Å; P233-R327 PolarHBondContact O-NH1 3.46Å
234V96.8Very high94.8Very high3 Ų320.5 Ų20.52%0.01811%0.105CC..Hα-helixtrans-58.6-42.8176.5169.10000111.5V214 P220 E222 I223 Y230 G231 K232 G238V214-V234 HydrophobicContact CG2-CG1 3.75Å; P220-V234 HydrophobicContact CG-CB 4.27Å; P220-V234 HydrophobicContact CG-CG1 3.99Å; P220-V234 HydrophobicContact CG-CG2 4.09Å; E222-V234 HydrophobicContact CG-CG2 4.31Å; I223-V234 HydrophobicContact CD1-CG2 4.05Å; I223-V234 HydrophobicContact CG1-CG1 4.39Å; I223-V234 HydrophobicContact CG1-CG2 4.07Å; Y230-V234 HydrophobicContact CD2-CG2 3.79Å; Y230-V234 HydrophobicContact CG-CG2 4.05Å; G231-V234 WeakPolarHBondContact O-CB 3.36Å; G231-V234 WeakPolarHBondContact O-CG2 3.38Å; G231-V234 PolarHBondContact O-N 3.2Å; K232-V234 PolarHBondContact O-N 2.92Å; V234-G238 PolarHBondContact O-N 3.14Å
235D98.3Very high94.8Very high2 Ų220.6 Ų20.61%0.01111%0.105CC..Hα-helixtrans-72-34.2178.5-67.4-31.4000110.9V160 H164 L169 H170 R171 L173 K232 P233 W237 G238 A239V160-D235 HydrophobicContact CG1-CB 4.27Å; H164-D235 IonicContact CD2-OD2 3.53Å; H164-D235 IonicContact NE2-OD2 3.12Å; H164-D235 PolarHBondContact NE2-OD2 2.94Å; L169-D235 WeakPolarHBondContact CA-OD2 3.19Å; H170-D235 WeakPolarHBondContact CB-OD1 3.29Å; H170-D235 PolarHBondContact N-OD1 3.28Å; H170-D235 PolarHBondContact N-OD2 2.99Å; R171-D235 PolarHBondContact N-OD1 2.8Å; L173-D235 HydrophobicContact CD1-CB 3.73Å; L173-D235 WeakPolarHBondContact CD1-O 3.31Å; K232-D235 PolarHBondContact O-N 3.16Å; K232-D235 VanDerWaalsContact O-N 3.1Å; P233-D235 VanDerWaalsContact C-N 3.3Å; P233-D235 PolarHBondContact O-N 3.44Å; D235-W237 VanDerWaalsContact C-N 3.33Å; D235-W237 PolarHBondContact O-N 3.08Å; D235-G238 PolarHBondContact O-N 2.7Å; D235-G238 VanDerWaalsContact O-N 3.15Å; D235-A239 PolarHBondContact O-N 2.82Å
236M98.8Very high94.9Very high1 Ų120.6 Ų20.61%0.00511%0.105CC..Hα-helixtrans-64.8-36.5178.8-59.2-52.8-5700112.5L157 V160 P233 A239 G240 L319 R327 L328 A330 A333L157-M236 HydrophobicContact CD2-CE 3.75Å; V160-M236 HydrophobicContact CG1-SD 3.74Å; P233-M236 PolarHBondContact O-N 3.4Å; M236-A239 WeakPolarHBondContact O-CB 3.49Å; M236-A239 PolarHBondContact O-N 3.38Å; M236-G240 PolarHBondContact O-N 2.74Å; M236-L319 HydrophobicContact CB-CD2 4.33Å; M236-L319 HydrophobicContact CE-CD2 3.5Å; M236-L319 VanDerWaalsContact CE-CD2 3.5Å; M236-R327 HydrophobicContact CB-CG 4.4Å; M236-L328 WeakPolarHBondContact CB-O 3.5Å; M236-L328 WeakPolarHBondContact CG-O 3.36Å; M236-A330 HydrophobicContact CE-CB 4.21Å; M236-A330 HydrophobicContact SD-CB 3.82Å; M236-A333 HydrophobicContact CE-CB 4.03Å
237W98.7Very high95.1Very high0 Ų019.3 Ų19.30%010%0.095CC..Hα-helixtrans-61.7-46.6171.1178.2-84.9000111.9Y218 P220 P221 P233 D235 A239 G240 C241 M253 I265 L320Y218-W237 VanDerWaalsContact O-CD1 3.25Å; P220-W237 HydrophobicContact CB-CB 3.7Å; P220-W237 HydrophobicContact CB-CD2 3.88Å; P220-W237 HydrophobicContact CB-CG 3.48Å; P220-W237 VanDerWaalsContact CB-CG 3.48Å; P221-W237 HydrophobicContact CG-CH2 4.34Å; P221-W237 HydrophobicContact CG-CZ3 4.17Å; P233-W237 PolarHBondContact O-N 3.47Å; P233-W237 VanDerWaalsContact O-N 3.07Å; D235-W237 VanDerWaalsContact C-N 3.33Å; D235-W237 PolarHBondContact O-N 3.08Å; W237-A239 VanDerWaalsContact C-N 3.27Å; W237-A239 PolarHBondContact O-N 3.35Å; W237-G240 PolarHBondContact O-N 3.26Å; W237-G240 VanDerWaalsContact O-N 3.08Å; W237-C241 PolarHBondContact O-N 3.37Å; W237-C241 PolarHBondContact O-SG 2.68Å; W237-M253 HydrophobicContact CZ2-CE 3.67Å; W237-M253 HydrophobicContact CZ2-SD 4.37Å; W237-I265 HydrophobicContact CH2-CG1 4.37Å; W237-I265 HydrophobicContact CH2-CG2 3.82Å; W237-I265 HydrophobicContact CZ2-CD1 3.88Å; W237-I265 HydrophobicContact CZ2-CG1 3.88Å; W237-I265 HydrophobicContact CZ2-CG2 4.2Å; W237-L320 HydrophobicContact CD2-CD2 4.11Å; W237-L320 HydrophobicContact CE3-CD2 4.15Å; W237-L320 HydrophobicContact CH2-CD2 4.43Å; W237-L320 HydrophobicContact CZ2-CD2 4.39Å; W237-L320 HydrophobicContact CZ3-CB 4.37Å; W237-L320 HydrophobicContact CZ3-CD2 4.32Å
238G98.3Very high95.1Very high2 Ų218.3 Ų18.32%0.0219%0.091CC..Hα-helixtrans-57.6-41.5175.500000111.9V234 D235 C241 I242V234-G238 PolarHBondContact O-N 3.14Å; D235-G238 PolarHBondContact O-N 2.7Å; D235-G238 VanDerWaalsContact O-N 3.15Å; G238-C241 PolarHBondContact O-N 3.04Å; G238-I242 VanDerWaalsContact O-CG1 3.27Å; G238-I242 WeakPolarHBondContact O-CG1 3.36Å; G238-I242 PolarHBondContact O-N 3.22Å
239A98.7Very high95.4Very high0 Ų016.4 Ų16.40%08%0.084CC..Hα-helixtrans-63.2-39.9173.800000112.6L156 L157 D235 M236 W237 I242 M243L156-A239 HydrophobicContact CD2-CB 4.32Å; L157-A239 HydrophobicContact CD2-CB 4.26Å; D235-A239 PolarHBondContact O-N 2.82Å; M236-A239 WeakPolarHBondContact O-CB 3.49Å; M236-A239 PolarHBondContact O-N 3.38Å; W237-A239 VanDerWaalsContact C-N 3.27Å; W237-A239 PolarHBondContact O-N 3.35Å; A239-I242 PolarHBondContact O-N 3.3Å; A239-M243 WeakPolarHBondContact O-CB 3.42Å; A239-M243 PolarHBondContact O-N 2.87Å
240G98.7Very high95.6Very high0 Ų018.6 Ų18.60%09%0.09CC..Hα-helixtrans-61.8-43.8173.700000113.1M236 W237 M243 A244M236-G240 PolarHBondContact O-N 2.74Å; W237-G240 PolarHBondContact O-N 3.26Å; W237-G240 VanDerWaalsContact O-N 3.08Å; G240-M243 PolarHBondContact O-N 3.35Å; G240-A244 PolarHBondContact O-N 3.12Å
241C98.4Very high95.8Very high2 Ų218.9 Ų18.91%0.0149%0.093CC..Hα-helixtrans-62-44.6174.2-670000112Y218 W237 G238 M243 A244 E245Y218-C241 HydrophobicContact CD1-CB 3.62Å; Y218-C241 HydrophobicContact CE1-CB 4.07Å; W237-C241 PolarHBondContact O-N 3.37Å; W237-C241 PolarHBondContact O-SG 2.68Å; G238-C241 PolarHBondContact O-N 3.04Å; C241-M243 VanDerWaalsContact C-N 3.33Å; C241-A244 PolarHBondContact O-N 3.42Å; C241-E245 WeakPolarHBondContact O-CB 3.47Å; C241-E245 PolarHBondContact O-N 2.74Å
242I98.3Very high96Very high1 Ų117.8 Ų17.81%0.0058%0.081CC..Hα-helixtrans-61.9-41.9175.9-68.8164.2000110.7L135 L156 L173 I178 Y218 G238 A239 E245 L246L135-I242 HydrophobicContact CD2-CG2 3.59Å; L156-I242 HydrophobicContact CD2-CB 4.38Å; L156-I242 HydrophobicContact CD2-CD1 4.19Å; L156-I242 HydrophobicContact CD2-CG2 3.98Å; L173-I242 HydrophobicContact CB-CD1 4.21Å; I178-I242 HydrophobicContact CD1-CD1 4.34Å; I178-I242 HydrophobicContact CG1-CD1 4.02Å; Y218-I242 HydrophobicContact CD1-CG1 4.26Å; Y218-I242 HydrophobicContact CE1-CG1 3.89Å; G238-I242 VanDerWaalsContact O-CG1 3.27Å; G238-I242 WeakPolarHBondContact O-CG1 3.36Å; G238-I242 PolarHBondContact O-N 3.22Å; A239-I242 PolarHBondContact O-N 3.3Å; I242-E245 WeakPolarHBondContact O-CB 3.4Å; I242-E245 PolarHBondContact O-N 2.57Å; I242-L246 PolarHBondContact O-N 2.8Å
243M98.4Very high96.1Very high0 Ų014 Ų140%06%0.064CC..Hα-helixtrans-61.3-48.3179.3-171.5169.3173.200111.4M153 A239 G240 C241 E245 L246 W247 A312 L315 I316 L319 Y338M153-M243 HydrophobicContact CE-CB 3.63Å; M153-M243 HydrophobicContact CE-CG 3.96Å; M153-M243 HydrophobicContact CE-SD 3.96Å; M153-M243 HydrophobicContact CG-CB 4.3Å; M153-M243 HydrophobicContact CG-CG 3.82Å; M153-M243 HydrophobicContact CG-SD 4.17Å; M153-M243 HydrophobicContact SD-CB 3.55Å; M153-M243 VanDerWaalsContact SD-CB 3.55Å; M153-M243 HydrophobicContact SD-CG 3.78Å; M153-M243 HydrophobicContact SD-SD 4.44Å; A239-M243 WeakPolarHBondContact O-CB 3.42Å; A239-M243 PolarHBondContact O-N 2.87Å; G240-M243 PolarHBondContact O-N 3.35Å; C241-M243 VanDerWaalsContact C-N 3.33Å; M243-E245 VanDerWaalsContact C-N 3.27Å; M243-E245 PolarHBondContact O-N 2.85Å; M243-L246 WeakPolarHBondContact O-CB 3.41Å; M243-L246 PolarHBondContact O-N 2.99Å; M243-L246 VanDerWaalsContact O-N 3.16Å; M243-W247 HydrophobicContact CE-CH2 4.14Å; M243-W247 HydrophobicContact CE-CZ3 4.23Å; M243-W247 HydrophobicContact CG-CZ3 4Å; M243-W247 VanDerWaalsContact O-CZ3 3.25Å; M243-W247 WeakPolarHBondContact O-CZ3 3.35Å; M243-A312 HydrophobicContact CE-CB 3.98Å; M243-L315 HydrophobicContact CE-CB 4.07Å; M243-L315 HydrophobicContact CE-CD2 3.85Å; M243-L315 HydrophobicContact CE-CG 4.13Å; M243-L315 HydrophobicContact SD-CB 4.22Å; M243-L315 HydrophobicContact SD-CD2 3.72Å; M243-L315 HydrophobicContact SD-CG 3.76Å; M243-I316 HydrophobicContact CB-CG1 3.98Å; M243-I316 HydrophobicContact CE-CD1 4.38Å; M243-I316 HydrophobicContact CE-CG1 4Å; M243-I316 HydrophobicContact CG-CD1 4Å; M243-I316 HydrophobicContact CG-CG1 3.57Å; M243-I316 HydrophobicContact SD-CG1 3.68Å; M243-L319 HydrophobicContact SD-CD1 4.29Å; M243-Y338 HydrophobicContact CE-CD1 3.8Å; M243-Y338 HydrophobicContact CE-CE1 3.62Å; M243-Y338 HydrophobicContact CE-CG 4.4Å
244A97.4Very high96Very high0 Ų014.6 Ų14.60%06%0.064CC..Hα-helixtrans-60.7-38.7176.800000112.2G240 C241 L246 W247 T248 I252 L303 I316G240-A244 PolarHBondContact O-N 3.12Å; C241-A244 PolarHBondContact O-N 3.42Å; A244-L246 PolarHBondContact O-N 2.9Å; A244-W247 PolarHBondContact O-N 3.21Å; A244-W247 VanDerWaalsContact O-N 3.08Å; A244-T248 PolarHBondContact O-N 3.14Å; A244-T248 VanDerWaalsContact O-N 3.07Å; A244-T248 PolarHBondContact O-OG1 2.79Å; A244-I252 HydrophobicContact CB-CD1 3.85Å; A244-I252 HydrophobicContact CB-CG1 4.45Å; A244-I252 HydrophobicContact CB-CG2 3.73Å; A244-L303 HydrophobicContact CB-CD2 4.49Å; A244-I316 HydrophobicContact CB-CD1 4.3Å; A244-I316 HydrophobicContact CB-CG2 4.09Å
245E95.7Very high95.9Very high11 Ų1114.5 Ų14.55%0.0516%0.064CC..Hα-helixtrans-59.2-25.9177.4-173.8172.617500113.4Y218 C241 I242 M243 W247 T248 K249Y218-E245 PolarHBondContact OH-OE2 3.27Å; C241-E245 WeakPolarHBondContact O-CB 3.47Å; C241-E245 PolarHBondContact O-N 2.74Å; I242-E245 WeakPolarHBondContact O-CB 3.4Å; I242-E245 PolarHBondContact O-N 2.57Å; M243-E245 VanDerWaalsContact C-N 3.27Å; M243-E245 PolarHBondContact O-N 2.85Å; E245-W247 PolarHBondContact O-N 2.71Å; E245-T248 WeakPolarHBondContact CA-OG1 3.32Å; E245-K249 WeakPolarHBondContact O-CA 3.15Å; E245-K249 PolarHBondContact O-N 3.01Å
246L96.4Very high95.7Very high1 Ų118.6 Ų18.61%0.0059%0.086CC..Hα-helixtrans-62.3-25.2176-59.3-179.9000113.4L135 F144 K149 I152 M153 I242 M243 A244L135-L246 HydrophobicContact CD1-CD2 3.98Å; L135-L246 HydrophobicContact CD2-CD2 4.13Å; L135-L246 HydrophobicContact CG-CD2 4.47Å; F144-L246 HydrophobicContact CD2-CD2 4.09Å; F144-L246 HydrophobicContact CE2-CD2 4.04Å; K149-L246 HydrophobicContact CB-CD1 3.99Å; K149-L246 HydrophobicContact CD-CB 3.91Å; K149-L246 WeakPolarHBondContact CE-O 3.3Å; K149-L246 HydrophobicContact CG-CB 4.12Å; K149-L246 HydrophobicContact CG-CD1 4.3Å; I152-L246 HydrophobicContact CB-CD1 4.49Å; I152-L246 HydrophobicContact CD1-CD2 4.16Å; I152-L246 HydrophobicContact CG2-CD1 4.29Å; I152-L246 HydrophobicContact CG2-CD2 4.2Å; M153-L246 HydrophobicContact CG-CD1 3.7Å; M153-L246 HydrophobicContact SD-CD1 3.98Å; I242-L246 PolarHBondContact O-N 2.8Å; M243-L246 WeakPolarHBondContact O-CB 3.41Å; M243-L246 PolarHBondContact O-N 2.99Å; M243-L246 VanDerWaalsContact O-N 3.16Å; A244-L246 PolarHBondContact O-N 2.9Å
247W94.8Very high95.4Very high31 Ų3122 Ų2212%0.11710%0.104CC..Hα-helixtrans-103.5-40.3174.8-72.2-99000112.6E146 K149 M243 A244 E245 K249 I307 A312 I316 Y338E146-W247 WeakPolarHBondContact OE1-CZ2 3.38Å; E146-W247 WeakPolarHBondContact OE2-CZ2 3.49Å; K149-W247 HydrophobicContact CB-CH2 4.29Å; K149-W247 HydrophobicContact CB-CZ2 4.46Å; K149-W247 HydrophobicContact CD-CD2 3.66Å; K149-W247 HydrophobicContact CD-CE3 4Å; K149-W247 HydrophobicContact CD-CG 4.32Å; K149-W247 HydrophobicContact CD-CH2 3.78Å; K149-W247 HydrophobicContact CD-CZ2 3.44Å; K149-W247 VanDerWaalsContact CD-CZ2 3.44Å; K149-W247 HydrophobicContact CD-CZ3 4.04Å; M243-W247 HydrophobicContact CE-CH2 4.14Å; M243-W247 HydrophobicContact CE-CZ3 4.23Å; M243-W247 HydrophobicContact CG-CZ3 4Å; M243-W247 VanDerWaalsContact O-CZ3 3.25Å; M243-W247 WeakPolarHBondContact O-CZ3 3.35Å; A244-W247 PolarHBondContact O-N 3.21Å; A244-W247 VanDerWaalsContact O-N 3.08Å; E245-W247 PolarHBondContact O-N 2.71Å; W247-K249 VanDerWaalsContact C-N 3.28Å; W247-K249 PolarHBondContact O-N 2.96Å; W247-I307 HydrophobicContact CB-CD1 4.3Å; W247-I307 HydrophobicContact CB-CG1 3.99Å; W247-I307 HydrophobicContact CD2-CD1 3.72Å; W247-I307 HydrophobicContact CD2-CG1 3.8Å; W247-I307 HydrophobicContact CD2-CG2 4.39Å; W247-I307 HydrophobicContact CE3-CD1 3.81Å; W247-I307 HydrophobicContact CE3-CG1 4.41Å; W247-I307 HydrophobicContact CG-CD1 3.97Å; W247-I307 HydrophobicContact CG-CG1 3.6Å; W247-I307 HydrophobicContact CZ2-CG2 3.95Å; W247-I307 HydrophobicContact CZ3-CD1 4.37Å; W247-A312 HydrophobicContact CH2-CB 3.81Å; W247-A312 HydrophobicContact CZ2-CB 3.96Å; W247-I316 HydrophobicContact CE3-CD1 4.47Å; W247-I316 HydrophobicContact CZ3-CD1 4.3Å; W247-Y338 WeakPolarHBondContact CH2-OH 3.31Å
248T91.9Very high95.1Very high8 Ų825.1 Ų25.15%0.04912%0.119CC..Hα-helixtrans-76.9-15.6-178.261.30000113.2A244 E245 Y250 I252 V419 F420A244-T248 PolarHBondContact O-N 3.14Å; A244-T248 VanDerWaalsContact O-N 3.07Å; A244-T248 PolarHBondContact O-OG1 2.79Å; E245-T248 WeakPolarHBondContact CA-OG1 3.32Å; T248-Y250 VanDerWaalsContact O-CD2 3.3Å; T248-Y250 WeakPolarHBondContact O-CD2 3.35Å; T248-Y250 PolarHBondContact O-N 3.11Å; T248-Y250 PolarHBondContact OG1-O 2.86Å; T248-I252 HydrophobicContact CG2-CG2 3.87Å; T248-I252 WeakPolarHBondContact OG1-CG2 3.06Å; T248-V419 WeakPolarHBondContact CB-O 3.29Å; T248-V419 HydrophobicContact CG2-CG1 4.21Å; T248-V419 WeakPolarHBondContact CG2-O 3.39Å; T248-F420 HydrophobicContact CG2-CD1 3.92Å; T248-F420 HydrophobicContact CG2-CE1 3.84Å
249K89.6Confident94.8Very high42 Ų4230.6 Ų30.618%0.18315%0.146CC..SBendtrans66.3-8.3-178.8-55.3-57.7-162.2140.10116.3I142 D143 E245 W247I142-K249 PolarHBondContact O-NZ 2.9Å; D143-K249 WeakPolarHBondContact OD1-CE 3.22Å; D143-K249 IonicContact OD1-NZ 3.83Å; D143-K249 PolarHBondContact OD1-NZ 2.87Å; E245-K249 WeakPolarHBondContact O-CA 3.15Å; E245-K249 PolarHBondContact O-N 3.01Å; W247-K249 VanDerWaalsContact C-N 3.28Å; W247-K249 PolarHBondContact O-N 2.96Å
250Y87.8Confident94.6Very high138 Ų13831.9 Ų31.954%0.54116%0.155SC..SBendtrans-136.5152-180-55.7-80.7000109.5T248 I252T248-Y250 VanDerWaalsContact O-CD2 3.3Å; T248-Y250 WeakPolarHBondContact O-CD2 3.35Å; T248-Y250 PolarHBondContact O-N 3.11Å; T248-Y250 PolarHBondContact OG1-O 2.86Å; Y250-I252 PolarHBondContact O-N 3.42Å
251P93.2Very high94.5Very high15 Ų1531.9 Ų31.910%0.09716%0.155CC..  trans-52128.6173.6-26.935000110.9W217 M253 Q254 Y415W217-P251 HydrophobicContact CB-CB 4.43Å; W217-P251 HydrophobicContact CE3-CB 3.85Å; W217-P251 HydrophobicContact CE3-CG 3.72Å; W217-P251 HydrophobicContact CZ3-CB 4.48Å; W217-P251 HydrophobicContact CZ3-CG 4Å; P251-M253 VanDerWaalsContact C-N 3.3Å; P251-M253 PolarHBondContact O-N 3.21Å; P251-Q254 HydrophobicContact CB-CG 3.98Å; P251-Q254 WeakPolarHBondContact O-CG 3.23Å; P251-Q254 PolarHBondContact O-NE2 3.26Å; P251-Y415 PolarHBondContact O-OH 3.38Å
252I94.8Very high94.3Very high3 Ų332.1 Ų32.12%0.01516%0.156CC..SBendtrans-74.9-15.4-167.855.3162.3000115A244 T248 Y250 L268 L320 Y415 V419 F420A244-I252 HydrophobicContact CB-CD1 3.85Å; A244-I252 HydrophobicContact CB-CG1 4.45Å; A244-I252 HydrophobicContact CB-CG2 3.73Å; T248-I252 HydrophobicContact CG2-CG2 3.87Å; T248-I252 WeakPolarHBondContact OG1-CG2 3.06Å; Y250-I252 PolarHBondContact O-N 3.42Å; I252-L268 HydrophobicContact CD1-CD2 4.05Å; I252-L320 HydrophobicContact CD1-CD1 3.75Å; I252-Y415 VanDerWaalsContact C-OH 3.28Å; I252-Y415 PolarHBondContact O-OH 3.49Å; I252-V419 HydrophobicContact CB-CG1 4.19Å; I252-V419 HydrophobicContact CG2-CG1 4.07Å; I252-F420 HydrophobicContact CB-CZ 4.02Å; I252-F420 HydrophobicContact CG2-CE1 4.2Å; I252-F420 HydrophobicContact CG2-CZ 4.05Å
253M95.8Very high94.2Very high0 Ų034.3 Ų34.30%017%0.168CC..  trans-142.295.2-178.6-64.4172.8-70.200109.6W217 W237 P251 Q261 L264 I265 L268 Y415W217-M253 WeakPolarHBondContact CA-O 3.41Å; W217-M253 WeakPolarHBondContact CB-O 3.43Å; W237-M253 HydrophobicContact CZ2-CE 3.67Å; W237-M253 HydrophobicContact CZ2-SD 4.37Å; P251-M253 VanDerWaalsContact C-N 3.3Å; P251-M253 PolarHBondContact O-N 3.21Å; M253-Q261 VanDerWaalsContact CB-NE2 3.31Å; M253-Q261 PolarHBondContact O-NE2 2.9Å; M253-Q261 PolarHBondContact O-OE1 3Å; M253-L264 HydrophobicContact CB-CB 4.24Å; M253-L264 HydrophobicContact CG-CB 4.37Å; M253-I265 HydrophobicContact CE-CG1 4.35Å; M253-I265 HydrophobicContact SD-CB 4.28Å; M253-I265 HydrophobicContact SD-CG1 3.54Å; M253-I265 VanDerWaalsContact SD-CG1 3.54Å; M253-L268 HydrophobicContact CG-CD2 4.17Å; M253-L268 HydrophobicContact SD-CD2 4Å; M253-Y415 WeakPolarHBondContact CA-OH 3.34Å; M253-Y415 PolarHBondContact N-OH 2.86Å
254Q95.3Very high94.1Very high47 Ų4734.5 Ų34.522%0.2217%0.169CC..  trans-103.961.7-172.5-67.8172.951.400112.5W217 P251 Y415W217-Q254 HydrophobicContact CD2-CB 4.28Å; W217-Q254 HydrophobicContact CD2-CG 3.9Å; W217-Q254 HydrophobicContact CE3-CG 4.09Å; W217-Q254 HydrophobicContact CG-CG 4.36Å; W217-Q254 HydrophobicContact CH2-CG 4.31Å; W217-Q254 HydrophobicContact CZ2-CB 4.17Å; W217-Q254 HydrophobicContact CZ2-CG 4.16Å; W217-Q254 HydrophobicContact CZ3-CG 4.28Å; P251-Q254 HydrophobicContact CB-CG 3.98Å; P251-Q254 WeakPolarHBondContact O-CG 3.23Å; P251-Q254 PolarHBondContact O-NE2 3.26Å; Q254-Y415 HydrophobicContact CB-CE2 4.19Å; Q254-Y415 WeakPolarHBondContact CB-OH 3.45Å; Q254-Y415 WeakPolarHBondContact CG-OH 3.39Å; Q254-Y415 PolarHBondContact N-OH 3.43Å
255G94.7Very high94.1Very high1 Ų134.5 Ų34.51%0.0117%0.169CC..  trans-64.9146.7174.600000111.4L216 W217 Q261 L264L216-G255 WeakPolarHBondContact CD2-O 3.29Å; W217-G255 PolarHBondContact NE1-O 3.41Å; G255-Q261 VanDerWaalsContact CA-OE1 3.27Å; G255-L264 VanDerWaalsContact N-CD1 3.33Å
256D93.4Very high94.2Very high87 Ų8734 Ų3447%0.46517%0.167SC..SBendtrans-96.7-12.3177.368.4-15.5000113.2S260D256-S260 VanDerWaalsContact OD1-CB 3.22Å; D256-S260 WeakPolarHBondContact OD1-CB 3.37Å; D256-S260 PolarHBondContact OD1-OG 3.34Å
257N93.4Very high94.2Very high73 Ų7335.3 Ų35.339%0.3917%0.174SC..SBendtrans-150.4172.6173.366.971.9000110.5I259 S260 Q261N257-I259 VanDerWaalsContact C-N 3.34Å; N257-I259 PolarHBondContact O-N 2.77Å; N257-I259 WeakPolarHBondContact OD1-CB 3.49Å; N257-I259 PolarHBondContact OD1-N 2.72Å; N257-S260 PolarHBondContact O-N 3.11Å; N257-S260 PolarHBondContact OD1-N 3Å; N257-Q261 WeakPolarHBondContact O-CB 3.02Å; N257-Q261 PolarHBondContact O-N 2.91Å
258E92.9Very high94.3Very high66 Ų6633.9 Ų33.931%0.30817%0.168SC..Hα-helixtrans-62.2-36.4-174.8-66.3-179.7160.600113.1R212 L216 R219 L224 L262R212-E258 IonicContact NE-OE1 2.94Å; R212-E258 PolarHBondContact NE-OE1 2.94Å; R212-E258 IonicContact NE-OE2 3.71Å; R212-E258 IonicContact NH2-OE2 2.69Å; L216-E258 HydrophobicContact CD1-CG 4.25Å; R219-E258 IonicContact CZ-OE1 2.78Å; R219-E258 IonicContact NH1-OE1 2.72Å; R219-E258 PolarHBondContact NH1-OE1 2.81Å; L224-E258 HydrophobicContact CD2-CB 3.91Å; L224-E258 HydrophobicContact CD2-CG 4.06Å; E258-L262 WeakPolarHBondContact O-CB 3.4Å; E258-L262 PolarHBondContact O-N 3.05Å; E258-L262 VanDerWaalsContact O-N 3.08Å
259I92.3Very high94.6Very high117 Ų11733.7 Ų33.760%0.617%0.167SC*.Hα-helixtrans-72.6-47.1179.2-60.1173.4000110.3N257 Q261 L262 N263N257-I259 VanDerWaalsContact C-N 3.34Å; N257-I259 PolarHBondContact O-N 2.77Å; N257-I259 WeakPolarHBondContact OD1-CB 3.49Å; N257-I259 PolarHBondContact OD1-N 2.72Å; I259-Q261 VanDerWaalsContact C-N 3.3Å; I259-Q261 PolarHBondContact O-N 3.15Å; I259-L262 WeakPolarHBondContact O-CB 3.36Å; I259-L262 PolarHBondContact O-N 3.01Å; I259-L262 VanDerWaalsContact O-N 3.11Å; I259-N263 PolarHBondContact O-N 2.9Å
260S94.3Very high94.9Very high27 Ų2732 Ų3219%0.18916%0.162CC..Hα-helixtrans-58-43.2175.7173.90000111.6D256 N257 L262 N263 L264D256-S260 VanDerWaalsContact OD1-CB 3.22Å; D256-S260 WeakPolarHBondContact OD1-CB 3.37Å; D256-S260 PolarHBondContact OD1-OG 3.34Å; N257-S260 PolarHBondContact O-N 3.11Å; N257-S260 PolarHBondContact OD1-N 3Å; S260-L262 VanDerWaalsContact C-N 3.34Å; S260-L262 PolarHBondContact O-N 2.69Å; S260-N263 PolarHBondContact O-N 3.35Å; S260-L264 WeakPolarHBondContact O-CG 3.45Å; S260-L264 PolarHBondContact O-N 2.93Å
261Q96Very high95.4Very high0 Ų025.9 Ų25.90%014%0.139CC..Hα-helixtrans-60.7-43.5174.5-172.867.736.600111.9L216 L224 M253 G255 N257 I259 L264 I265L216-Q261 HydrophobicContact CD1-CB 3.74Å; L216-Q261 HydrophobicContact CD1-CG 3.93Å; L216-Q261 HydrophobicContact CG-CB 4.09Å; L216-Q261 HydrophobicContact CG-CG 4.19Å; L216-Q261 VanDerWaalsContact O-CD 3.25Å; L216-Q261 WeakPolarHBondContact O-CG 3.28Å; L216-Q261 PolarHBondContact O-OE1 3.06Å; L224-Q261 HydrophobicContact CD1-CB 4.24Å; L224-Q261 HydrophobicContact CD1-CG 3.76Å; L224-Q261 HydrophobicContact CD2-CB 4.35Å; L224-Q261 HydrophobicContact CD2-CG 4.39Å; M253-Q261 VanDerWaalsContact CB-NE2 3.31Å; M253-Q261 PolarHBondContact O-NE2 2.9Å; M253-Q261 PolarHBondContact O-OE1 3Å; G255-Q261 VanDerWaalsContact CA-OE1 3.27Å; N257-Q261 WeakPolarHBondContact O-CB 3.02Å; N257-Q261 PolarHBondContact O-N 2.91Å; I259-Q261 VanDerWaalsContact C-N 3.3Å; I259-Q261 PolarHBondContact O-N 3.15Å; Q261-L264 PolarHBondContact O-N 3.23Å; Q261-I265 HydrophobicContact CG-CD1 4.3Å; Q261-I265 WeakPolarHBondContact O-CG1 3.29Å; Q261-I265 PolarHBondContact O-N 2.83Å
262L95.2Very high95.5Very high7 Ų725.1 Ų25.14%0.03713%0.134CC..Hα-helixtrans-66-38.2179.3-169.258.5000112.1L224 L225 E258 I259 S260 I265 I266 I272 L291L224-L262 HydrophobicContact CB-CD1 4.36Å; L224-L262 HydrophobicContact CD1-CB 4.46Å; L224-L262 HydrophobicContact CD1-CD1 4.32Å; L225-L262 HydrophobicContact CD2-CD2 3.75Å; E258-L262 WeakPolarHBondContact O-CB 3.4Å; E258-L262 PolarHBondContact O-N 3.05Å; E258-L262 VanDerWaalsContact O-N 3.08Å; I259-L262 WeakPolarHBondContact O-CB 3.36Å; I259-L262 PolarHBondContact O-N 3.01Å; I259-L262 VanDerWaalsContact O-N 3.11Å; S260-L262 VanDerWaalsContact C-N 3.34Å; S260-L262 PolarHBondContact O-N 2.69Å; L262-I265 WeakPolarHBondContact O-CB 3.42Å; L262-I265 PolarHBondContact O-N 2.78Å; L262-I266 HydrophobicContact CG-CD1 4.17Å; L262-I266 WeakPolarHBondContact O-CG1 3.48Å; L262-I266 PolarHBondContact O-N 3.45Å; L262-I272 HydrophobicContact CD1-CD1 3.72Å; L262-L291 HydrophobicContact CD2-CD1 4Å; L262-L291 HydrophobicContact CD2-CD2 3.28Å; L262-L291 HydrophobicContact CD2-CG 4.29Å; L262-L291 HydrophobicContact CG-CD2 3.99Å
263N95Very high95.6Very high47 Ų4726.2 Ų26.225%0.25114%0.141SC..Hα-helixtrans-61.7-44.8173.3-71-13.7000111.6I259 S260 I265 I266 N267 P292I259-N263 PolarHBondContact O-N 2.9Å; S260-N263 PolarHBondContact O-N 3.35Å; N263-I265 VanDerWaalsContact C-N 3.29Å; N263-I265 PolarHBondContact O-N 3.08Å; N263-I266 PolarHBondContact O-N 3.28Å; N263-N267 WeakPolarHBondContact O-CB 2.96Å; N263-N267 PolarHBondContact O-N 3.42Å; N263-N267 PolarHBondContact O-ND2 2.93Å; N263-P292 WeakPolarHBondContact OD1-CD 3.39Å
264L96.4Very high95.5Very high4 Ų428.6 Ų28.62%0.02116%0.157CC..Hα-helixtrans-63-35.3175.3-69.4173.7000112.6M253 G255 S260 Q261 L268 Y415 Y416M253-L264 HydrophobicContact CB-CB 4.24Å; M253-L264 HydrophobicContact CG-CB 4.37Å; G255-L264 VanDerWaalsContact N-CD1 3.33Å; S260-L264 WeakPolarHBondContact O-CG 3.45Å; S260-L264 PolarHBondContact O-N 2.93Å; Q261-L264 PolarHBondContact O-N 3.23Å; L264-L268 WeakPolarHBondContact O-CB 3.39Å; L264-L268 PolarHBondContact O-N 3.02Å; L264-Y415 HydrophobicContact CD1-CE1 4.42Å; L264-Y415 HydrophobicContact CD2-CD1 3.71Å; L264-Y415 HydrophobicContact CD2-CE1 3.91Å; L264-Y416 WeakPolarHBondContact CA-OH 3.39Å; L264-Y416 PolarHBondContact O-OH 3.37Å
265I97.6Very high95.6Very high0 Ų033.3 Ų33.30%018%0.178CC..Hα-helixtrans-64.4-48.2173.3-71.2170.2000110P221 L224 W237 M253 Q261 L262 N263 L268 C269 L322P221-I265 HydrophobicContact CB-CG2 4.46Å; L224-I265 HydrophobicContact CD1-CD1 3.39Å; W237-I265 HydrophobicContact CH2-CG1 4.37Å; W237-I265 HydrophobicContact CH2-CG2 3.82Å; W237-I265 HydrophobicContact CZ2-CD1 3.88Å; W237-I265 HydrophobicContact CZ2-CG1 3.88Å; W237-I265 HydrophobicContact CZ2-CG2 4.2Å; M253-I265 HydrophobicContact CE-CG1 4.35Å; M253-I265 HydrophobicContact SD-CB 4.28Å; M253-I265 HydrophobicContact SD-CG1 3.54Å; M253-I265 VanDerWaalsContact SD-CG1 3.54Å; Q261-I265 HydrophobicContact CG-CD1 4.3Å; Q261-I265 WeakPolarHBondContact O-CG1 3.29Å; Q261-I265 PolarHBondContact O-N 2.83Å; L262-I265 WeakPolarHBondContact O-CB 3.42Å; L262-I265 PolarHBondContact O-N 2.78Å; N263-I265 VanDerWaalsContact C-N 3.29Å; N263-I265 PolarHBondContact O-N 3.08Å; I265-L268 PolarHBondContact O-N 3.03Å; I265-C269 HydrophobicContact CG2-CB 4.34Å; I265-C269 WeakPolarHBondContact O-CA 3.37Å; I265-C269 WeakPolarHBondContact O-CB 3.27Å; I265-C269 PolarHBondContact O-N 3.3Å; I265-L322 HydrophobicContact CG2-CD2 3.63Å
266I97Very high95.6Very high0 Ų037.5 Ų37.50%020%0.2CC..Hα-helixtrans-63.5-44.6-178.1-72.4164.4000111.6L262 N263 L268 G270 I272 L291 P292 I295L262-I266 HydrophobicContact CG-CD1 4.17Å; L262-I266 WeakPolarHBondContact O-CG1 3.48Å; L262-I266 PolarHBondContact O-N 3.45Å; N263-I266 PolarHBondContact O-N 3.28Å; I266-L268 PolarHBondContact O-N 2.72Å; I266-G270 WeakPolarHBondContact CA-O 3.24Å; I266-G270 CarbonylContact O-C 3.6Å; I266-G270 VanDerWaalsContact O-CA 3.26Å; I266-G270 WeakPolarHBondContact O-CA 3.37Å; I266-G270 PolarHBondContact O-N 2.72Å; I266-I272 HydrophobicContact CD1-CD1 4.38Å; I266-I272 HydrophobicContact CG1-CD1 4.2Å; I266-I272 HydrophobicContact CG1-CG1 4.13Å; I266-L291 HydrophobicContact CD1-CB 3.91Å; I266-L291 HydrophobicContact CD1-CD1 4.32Å; I266-L291 HydrophobicContact CD1-CD2 4.35Å; I266-L291 HydrophobicContact CD1-CG 4.42Å; I266-P292 HydrophobicContact CG2-CB 3.97Å; I266-P292 HydrophobicContact CG2-CG 4.43Å; I266-I295 HydrophobicContact CG2-CB 4.03Å; I266-I295 HydrophobicContact CG2-CG1 3.99Å; I266-I295 HydrophobicContact CG2-CG2 4.38Å; I266-I295 WeakPolarHBondContact O-CG2 3.28Å
267N96.2Very high95.8Very high29 Ų2934.1 Ų34.116%0.15518%0.18CC..Hα-helixtrans-61.4-26.4177.9-76.5-20.9000113.6N263 D412 Y416N263-N267 WeakPolarHBondContact O-CB 2.96Å; N263-N267 PolarHBondContact O-N 3.42Å; N263-N267 PolarHBondContact O-ND2 2.93Å; N267-D412 PolarHBondContact ND2-OD2 3.39Å; N267-Y416 HydrophobicContact CB-CE2 3.74Å; N267-Y416 WeakPolarHBondContact CB-OH 3.46Å
268L96.9Very high95.9Very high1 Ų134.2 Ų34.21%0.00519%0.185CC..Hα-helixtrans-95-48.2177.3179.860.9000112.3I252 M253 L264 I265 I266 H298 V299 K302 Y416 F420I252-L268 HydrophobicContact CD1-CD2 4.05Å; M253-L268 HydrophobicContact CG-CD2 4.17Å; M253-L268 HydrophobicContact SD-CD2 4Å; L264-L268 WeakPolarHBondContact O-CB 3.39Å; L264-L268 PolarHBondContact O-N 3.02Å; I265-L268 PolarHBondContact O-N 3.03Å; I266-L268 PolarHBondContact O-N 2.72Å; L268-H298 PolarHBondContact O-N 2.91Å; L268-V299 HydrophobicContact CD1-CG2 4.21Å; L268-V299 HydrophobicContact CG-CG2 3.98Å; L268-V299 WeakPolarHBondContact O-CG2 3.26Å; L268-V299 PolarHBondContact O-N 3.47Å; L268-K302 HydrophobicContact CD1-CB 4.49Å; L268-K302 HydrophobicContact CD1-CD 3.72Å; L268-Y416 HydrophobicContact CB-CE1 4.29Å; L268-F420 HydrophobicContact CD1-CE2 3.82Å; L268-F420 HydrophobicContact CD1-CZ 3.94Å; L268-F420 HydrophobicContact CD2-CE2 4.24Å; L268-F420 HydrophobicContact CD2-CZ 4.01Å
269C98Very high95.9Very high4 Ų431.5 Ų31.53%0.02718%0.175CC..Hα-helixtrans-95.4-8.6-167.8-62.60000114.1I265 R297 L322I265-C269 HydrophobicContact CG2-CB 4.34Å; I265-C269 WeakPolarHBondContact O-CA 3.37Å; I265-C269 WeakPolarHBondContact O-CB 3.27Å; I265-C269 PolarHBondContact O-N 3.3Å; C269-R297 WeakPolarHBondContact O-CB 3.44Å; C269-R297 WeakPolarHBondContact O-CG 3.27Å; C269-R297 PolarHBondContact O-NH1 2.8Å; C269-L322 HydrophobicContact CB-CD1 4.32Å; C269-L322 HydrophobicContact CB-CD2 3.68Å; C269-L322 HydrophobicContact CB-CG 3.95Å
270G97.3Very high96.1Very high6 Ų625.9 Ų25.96%0.06215%0.146CC..  trans96.7166.2-174.400000113I266 I295 L322I266-G270 WeakPolarHBondContact CA-O 3.24Å; I266-G270 CarbonylContact O-C 3.6Å; I266-G270 VanDerWaalsContact O-CA 3.26Å; I266-G270 WeakPolarHBondContact O-CA 3.37Å; I266-G270 PolarHBondContact O-N 2.72Å; G270-I295 WeakPolarHBondContact CA-O 3.32Å; G270-L322 WeakPolarHBondContact O-CD1 3.25Å
271S97.2Very high96.1Very high9 Ų928.4 Ų28.46%0.06316%0.155CC..  trans-62.2141.2177.6-57.10000111.6T273 D294 I295S271-T273 PolarHBondContact O-N 2.77Å; S271-D294 PolarHBondContact OG-N 3.23Å; S271-I295 PolarHBondContact N-O 2.88Å; S271-I295 WeakPolarHBondContact OG-CA 3.3Å; S271-I295 WeakPolarHBondContact OG-CB 3.35Å; S271-I295 PolarHBondContact OG-N 2.96Å; S271-I295 PolarHBondContact OG-O 3.49Å
272I96.8Very high95.9Very high0 Ų037.1 Ų37.10%019%0.188CC..  trans-82.3110.8172.5-61.7172.4000107.4P221 L225 L262 I266 W277 V280 F286 L322P221-I272 HydrophobicContact CB-CD1 4.2Å; L225-I272 HydrophobicContact CD1-CD1 4.08Å; L225-I272 HydrophobicContact CD1-CG2 4.27Å; L262-I272 HydrophobicContact CD1-CD1 3.72Å; I266-I272 HydrophobicContact CD1-CD1 4.38Å; I266-I272 HydrophobicContact CG1-CD1 4.2Å; I266-I272 HydrophobicContact CG1-CG1 4.13Å; I272-W277 HydrophobicContact CG2-CE3 3.99Å; I272-V280 HydrophobicContact CG2-CB 4.42Å; I272-V280 HydrophobicContact CG2-CG1 4.27Å; I272-V280 HydrophobicContact CG2-CG2 3.65Å; I272-F286 HydrophobicContact CB-CE2 4.41Å; I272-F286 HydrophobicContact CG2-CD2 4.04Å; I272-F286 HydrophobicContact CG2-CE2 3.92Å; I272-F286 WeakPolarHBondContact O-CE2 3.35Å; I272-L322 HydrophobicContact CG1-CD1 4.04Å; I272-L322 HydrophobicContact CG1-CD2 4.2Å
273T95.5Very high95.8Very high25 Ų2537.8 Ų37.815%0.15319%0.191CC..  trans-133.3157.4178.579.90000110.5S271 E275 I276 W277S271-T273 PolarHBondContact O-N 2.77Å; T273-E275 WeakPolarHBondContact CB-OE2 3.25Å; T273-E275 PolarHBondContact O-N 3.47Å; T273-E275 PolarHBondContact OG1-N 2.77Å; T273-E275 PolarHBondContact OG1-OE2 2.82Å; T273-I276 PolarHBondContact O-N 3.31Å; T273-I276 VanDerWaalsContact O-N 3.12Å; T273-I276 PolarHBondContact OG1-N 2.97Å; T273-W277 PolarHBondContact O-N 2.88Å
274P95.5Very high95.5Very high51 Ų5140.9 Ų40.933%0.33120%0.204SC..THydrogen-bonded Turntrans-57-26.2175-27.237.3000114.3W277 P278 V280P274-W277 CarbonylContact O-C 3.45Å; P274-P278 WeakPolarHBondContact O-CA 3.45Å; P274-P278 VanDerWaalsContact O-N 3.15Å; P274-V280 HydrophobicContact CG-CG1 4.33Å
275E95.5Very high95.1Very high145 Ų14542.5 Ų42.568%0.67821%0.214SC*.THydrogen-bonded Turntrans-69.9-42.8175.7-58.871.9-153.900111.6T273T273-E275 WeakPolarHBondContact CB-OE2 3.25Å; T273-E275 PolarHBondContact O-N 3.47Å; T273-E275 PolarHBondContact OG1-N 2.77Å; T273-E275 PolarHBondContact OG1-OE2 2.82Å
276I95.8Very high94.9Very high89 Ų8944 Ų4446%0.45622%0.221SC..THydrogen-bonded Turntrans-76.3-42.3179.1-63.3-60.6000111T273 L322 K326T273-I276 PolarHBondContact O-N 3.31Å; T273-I276 VanDerWaalsContact O-N 3.12Å; T273-I276 PolarHBondContact OG1-N 2.97Å; I276-L322 HydrophobicContact CG2-CB 4.46Å; I276-L322 HydrophobicContact CG2-CD1 4.11Å; I276-K326 PolarHBondContact O-NZ 3.45Å
277W96.7Very high94.5Very high16 Ų1651.8 Ų51.86%0.06125%0.25CS..SBendtrans-127.485.4-179.8-175.8-2.6000110.8P221 E222 L225 I272 T273 P274 G279 V280 L283 D323 P324P221-W277 HydrophobicContact CB-CZ3 4.13Å; P221-W277 HydrophobicContact CG-CZ3 4.37Å; E222-W277 HydrophobicContact CB-CH2 3.63Å; E222-W277 HydrophobicContact CB-CZ2 3.99Å; L225-W277 HydrophobicContact CD1-CE3 4.48Å; L225-W277 HydrophobicContact CD1-CH2 4.09Å; L225-W277 HydrophobicContact CD1-CZ3 3.69Å; I272-W277 HydrophobicContact CG2-CE3 3.99Å; T273-W277 PolarHBondContact O-N 2.88Å; P274-W277 CarbonylContact O-C 3.45Å; W277-G279 PolarHBondContact O-N 3.24Å; W277-V280 HydrophobicContact CB-CB 4.15Å; W277-V280 HydrophobicContact CB-CG1 4.46Å; W277-V280 HydrophobicContact CD2-CB 3.93Å; W277-V280 HydrophobicContact CD2-CG2 3.89Å; W277-V280 HydrophobicContact CE3-CB 4.3Å; W277-V280 HydrophobicContact CE3-CG2 3.78Å; W277-V280 HydrophobicContact CG-CB 3.89Å; W277-V280 HydrophobicContact CG-CG2 4.35Å; W277-V280 HydrophobicContact CZ3-CG2 4.13Å; W277-V280 WeakPolarHBondContact O-CB 3.48Å; W277-V280 WeakPolarHBondContact O-CG1 3.48Å; W277-V280 PolarHBondContact O-N 3.32Å; W277-V280 VanDerWaalsContact O-N 3.11Å; W277-L283 HydrophobicContact CH2-CD1 4.11Å; W277-L283 HydrophobicContact CZ2-CD1 4.15Å; W277-D323 HydrophobicContact CB-CB 4.01Å; W277-D323 HydrophobicContact CD2-CB 4.48Å; W277-D323 HydrophobicContact CG-CB 3.86Å; W277-P324 HydrophobicContact CZ2-CG 4.05Å
278P96.3Very high94.2Very high75 Ų7557.1 Ų57.149%0.48727%0.274SS..THydrogen-bonded Turntrans-57123.2178.2-26.735.8000112.2P274P274-P278 WeakPolarHBondContact O-CA 3.45Å; P274-P278 VanDerWaalsContact O-N 3.15Å
279G93.8Very high93.7Very high9 Ų958.8 Ų58.89%0.09329%0.288CS..THydrogen-bonded Turntrans98.2-3.9-178.800000115.5W277 E281 R282W277-G279 PolarHBondContact O-N 3.24Å; G279-E281 VanDerWaalsContact C-OE2 3.27Å; G279-E281 VanDerWaalsContact CA-OE1 3.26Å; G279-E281 WeakPolarHBondContact CA-OE1 3.29Å; G279-E281 WeakPolarHBondContact CA-OE2 3.1Å; G279-E281 PolarHBondContact N-OE1 2.71Å; G279-E281 PolarHBondContact N-OE2 2.94Å; G279-E281 PolarHBondContact O-N 3.11Å; G279-R282 VanDerWaalsContact CA-NH2 3.3Å; G279-R282 VanDerWaalsContact O-CB 3.29Å; G279-R282 WeakPolarHBondContact O-CB 3.42Å; G279-R282 WeakPolarHBondContact O-CG 3.31Å; G279-R282 PolarHBondContact O-N 3.45Å; G279-R282 VanDerWaalsContact O-N 3.08Å; G279-R282 PolarHBondContact O-NE 2.78Å
280V95.5Very high93.2Very high0 Ų070.7 Ų70.70%033%0.333CS..G310 helixtrans-61.1-27.9178.572.80000112.6L225 I272 P274 W277 R282 L283 F286L225-V280 HydrophobicContact CD1-CG2 3.81Å; I272-V280 HydrophobicContact CG2-CB 4.42Å; I272-V280 HydrophobicContact CG2-CG1 4.27Å; I272-V280 HydrophobicContact CG2-CG2 3.65Å; P274-V280 HydrophobicContact CG-CG1 4.33Å; W277-V280 HydrophobicContact CB-CB 4.15Å; W277-V280 HydrophobicContact CB-CG1 4.46Å; W277-V280 HydrophobicContact CD2-CB 3.93Å; W277-V280 HydrophobicContact CD2-CG2 3.89Å; W277-V280 HydrophobicContact CE3-CB 4.3Å; W277-V280 HydrophobicContact CE3-CG2 3.78Å; W277-V280 HydrophobicContact CG-CB 3.89Å; W277-V280 HydrophobicContact CG-CG2 4.35Å; W277-V280 HydrophobicContact CZ3-CG2 4.13Å; W277-V280 WeakPolarHBondContact O-CB 3.48Å; W277-V280 WeakPolarHBondContact O-CG1 3.48Å; W277-V280 PolarHBondContact O-N 3.32Å; W277-V280 VanDerWaalsContact O-N 3.11Å; V280-R282 PolarHBondContact O-N 3.17Å; V280-L283 HydrophobicContact CG2-CD1 4.14Å; V280-L283 WeakPolarHBondContact O-CB 3.4Å; V280-L283 PolarHBondContact O-N 2.94Å; V280-F286 HydrophobicContact CG1-CD1 4.34Å; V280-F286 HydrophobicContact CG1-CD2 4.37Å; V280-F286 HydrophobicContact CG1-CE1 4.08Å; V280-F286 HydrophobicContact CG1-CE2 4.14Å; V280-F286 HydrophobicContact CG1-CG 4.47Å; V280-F286 HydrophobicContact CG1-CZ 3.98Å; V280-F286 HydrophobicContact CG2-CB 4.28Å; V280-F286 HydrophobicContact CG2-CD2 3.91Å; V280-F286 HydrophobicContact CG2-CE2 4.42Å; V280-F286 HydrophobicContact CG2-CG 3.98Å
281E93.8Very high92.9Very high79 Ų7971.2 Ų71.237%0.36933%0.334SS..G310 helixtrans-61.3-1517567.8-76.2170.800114.2G279 L283 F286 R287G279-E281 VanDerWaalsContact C-OE2 3.27Å; G279-E281 VanDerWaalsContact CA-OE1 3.26Å; G279-E281 WeakPolarHBondContact CA-OE1 3.29Å; G279-E281 WeakPolarHBondContact CA-OE2 3.1Å; G279-E281 PolarHBondContact N-OE1 2.71Å; G279-E281 PolarHBondContact N-OE2 2.94Å; G279-E281 PolarHBondContact O-N 3.11Å; E281-L283 VanDerWaalsContact C-N 3.33Å; E281-F286 HydrophobicContact CB-CE1 4.41Å; E281-R287 WeakPolarHBondContact O-CD 3.42Å; E281-R287 PolarHBondContact O-NH1 3.07Å
282R93.1Very high92.7Very high183 Ų18372.7 Ų72.769%0.69134%0.343SS*.G310 helixtrans-75.8-22.5173.2-63.1179.6-112.5154.6-3.1112.5G279 V280G279-R282 VanDerWaalsContact CA-NH2 3.3Å; G279-R282 VanDerWaalsContact O-CB 3.29Å; G279-R282 WeakPolarHBondContact O-CB 3.42Å; G279-R282 WeakPolarHBondContact O-CG 3.31Å; G279-R282 PolarHBondContact O-N 3.45Å; G279-R282 VanDerWaalsContact O-N 3.08Å; G279-R282 PolarHBondContact O-NE 2.78Å; V280-R282 PolarHBondContact O-N 3.17Å
283L92.6Very high92.5Very high22 Ų2277.2 Ų77.212%0.11536%0.364CS..  trans-77.9124.7-178.2-56-177.8000110.3L225 D227 W277 V280 E281 T285 F286 R287L225-L283 HydrophobicContact CB-CD1 3.67Å; L225-L283 HydrophobicContact CD1-CD1 4.07Å; D227-L283 HydrophobicContact CB-CD1 4.31Å; D227-L283 HydrophobicContact CB-CD2 3.79Å; W277-L283 HydrophobicContact CH2-CD1 4.11Å; W277-L283 HydrophobicContact CZ2-CD1 4.15Å; V280-L283 HydrophobicContact CG2-CD1 4.14Å; V280-L283 WeakPolarHBondContact O-CB 3.4Å; V280-L283 PolarHBondContact O-N 2.94Å; E281-L283 VanDerWaalsContact C-N 3.33Å; L283-T285 PolarHBondContact O-N 2.85Å; L283-F286 HydrophobicContact CB-CB 4.13Å; L283-F286 WeakPolarHBondContact O-CB 3.49Å; L283-F286 PolarHBondContact O-N 3.14Å; L283-R287 PolarHBondContact O-N 2.7Å
284E88.1Confident92.4Very high111 Ų11183.7 Ų83.752%0.51940%0.398SS..Hα-helixtrans-58-47.6-177.8-176.7173.3-148.500111.9F286 R287 E288E284-F286 VanDerWaalsContact C-N 3.25Å; E284-F286 PolarHBondContact O-N 3.15Å; E284-R287 PolarHBondContact O-N 2.91Å; E284-E288 WeakPolarHBondContact O-CG 3.47Å; E284-E288 PolarHBondContact O-N 2.9Å
285T88.9Confident92.4Very high39 Ų3983.9 Ų83.924%0.23940%0.396CS..Hα-helixtrans-62.3-31.6179.8-53.90000112.7L225 N226 L283 A289L225-T285 HydrophobicContact CD2-CG2 4.31Å; N226-T285 WeakPolarHBondContact CB-OG1 3.38Å; L283-T285 PolarHBondContact O-N 2.85Å; T285-A289 WeakPolarHBondContact O-CB 3.4Å; T285-A289 PolarHBondContact O-N 3.02Å
286F92.2Very high92.4Very high32 Ų3284.7 Ų84.714%0.1440%0.397CS..Hα-helixtrans-66.7-40.5174.3173.9-97.9000111.8L225 I272 V280 E281 L283 E284 L291L225-F286 HydrophobicContact CD1-CB 4.49Å; L225-F286 HydrophobicContact CD2-CB 4.25Å; I272-F286 HydrophobicContact CB-CE2 4.41Å; I272-F286 HydrophobicContact CG2-CD2 4.04Å; I272-F286 HydrophobicContact CG2-CE2 3.92Å; I272-F286 WeakPolarHBondContact O-CE2 3.35Å; V280-F286 HydrophobicContact CG1-CD1 4.34Å; V280-F286 HydrophobicContact CG1-CD2 4.37Å; V280-F286 HydrophobicContact CG1-CE1 4.08Å; V280-F286 HydrophobicContact CG1-CE2 4.14Å; V280-F286 HydrophobicContact CG1-CG 4.47Å; V280-F286 HydrophobicContact CG1-CZ 3.98Å; V280-F286 HydrophobicContact CG2-CB 4.28Å; V280-F286 HydrophobicContact CG2-CD2 3.91Å; V280-F286 HydrophobicContact CG2-CE2 4.42Å; V280-F286 HydrophobicContact CG2-CG 3.98Å; E281-F286 HydrophobicContact CB-CE1 4.41Å; L283-F286 HydrophobicContact CB-CB 4.13Å; L283-F286 WeakPolarHBondContact O-CB 3.49Å; L283-F286 PolarHBondContact O-N 3.14Å; E284-F286 VanDerWaalsContact C-N 3.25Å; E284-F286 PolarHBondContact O-N 3.15Å; F286-L291 HydrophobicContact CD2-CD1 3.83Å; F286-L291 HydrophobicContact CE2-CD1 4.25Å
287R90Very high92.5Very high163 Ų16384.6 Ų84.662%0.61539%0.391SS*.Hα-helixtrans-71.4-32.6179-65.5-167.1-64.4-115.43.2113.1E281 L283 E284E281-R287 WeakPolarHBondContact O-CD 3.42Å; E281-R287 PolarHBondContact O-NH1 3.07Å; L283-R287 PolarHBondContact O-N 2.7Å; E284-R287 PolarHBondContact O-N 2.91Å
288E89.9Confident92.5Very high141 Ų14186.2 Ų86.266%0.65940%0.399SS*.Hα-helixtrans-84.3-32.9-178.4-67.5179.3167.300112.9E284E284-E288 WeakPolarHBondContact O-CG 3.47Å; E284-E288 PolarHBondContact O-N 2.9Å
289A84.7Confident92.5Very high36 Ų3682.7 Ų82.730%0.29838%0.376SS..SBendtrans-80.2131.6-177.300000111.7T285 L291T285-A289 WeakPolarHBondContact O-CB 3.4Å; T285-A289 PolarHBondContact O-N 3.02Å; A289-L291 VanDerWaalsContact C-N 3.3Å; A289-L291 HydrophobicContact CB-CD2 3.61Å; A289-L291 HydrophobicContact CB-CG 3.91Å; A289-L291 PolarHBondContact O-N 2.91Å
290R87.7Confident92.6Very high254 Ų25487.8 Ų87.896%0.95839%0.393SS*.  trans-80.280.8166.7-66.1-176.3-178.5-174.8-0.1109.3
291L91.2Very high92.6Very high16 Ų1694.1 Ų94.18%0.08442%0.422CS..  trans-78.2143.3179.3-57.4-176.4000111.2L225 L262 I266 F286 A289 Q293L225-L291 HydrophobicContact CD2-CD1 4.12Å; L262-L291 HydrophobicContact CD2-CD1 4Å; L262-L291 HydrophobicContact CD2-CD2 3.28Å; L262-L291 HydrophobicContact CD2-CG 4.29Å; L262-L291 HydrophobicContact CG-CD2 3.99Å; I266-L291 HydrophobicContact CD1-CB 3.91Å; I266-L291 HydrophobicContact CD1-CD1 4.32Å; I266-L291 HydrophobicContact CD1-CD2 4.35Å; I266-L291 HydrophobicContact CD1-CG 4.42Å; F286-L291 HydrophobicContact CD2-CD1 3.83Å; F286-L291 HydrophobicContact CE2-CD1 4.25Å; A289-L291 VanDerWaalsContact C-N 3.3Å; A289-L291 HydrophobicContact CB-CD2 3.61Å; A289-L291 HydrophobicContact CB-CG 3.91Å; A289-L291 PolarHBondContact O-N 2.91Å; L291-Q293 PolarHBondContact O-N 3.04Å; L291-Q293 PolarHBondContact O-NE2 3.26Å
292P92.5Very high92.6Very high40 Ų4092.6 Ų92.626%0.2641%0.414SS..  trans-52.2135.7172.4-2431.9000111.6N263 I266 I295N263-P292 WeakPolarHBondContact OD1-CD 3.39Å; I266-P292 HydrophobicContact CG2-CB 3.97Å; I266-P292 HydrophobicContact CG2-CG 4.43Å; P292-I295 HydrophobicContact CB-CG1 4.03Å
293Q92.7Very high92.7Very high95 Ų9584 Ų8444%0.44438%0.382SS..  trans-113.9166.6178.9-59.1-58.7-52.600109.7L291 I295L291-Q293 PolarHBondContact O-N 3.04Å; L291-Q293 PolarHBondContact O-NE2 3.26Å; Q293-I295 PolarHBondContact O-N 3.12Å
294D93.8Very high92.8Very high161 Ų16186.2 Ų86.286%0.86140%0.396SS*.SBendtrans59.117.2176.6-54.9-44.6000115.6S271S271-D294 PolarHBondContact OG-N 3.23Å
295I95.8Very high93.1Very high55 Ų5586 Ų8628%0.28240%0.404SS..PPolyproline II helixtrans-84125.2172.5-50.8-56.1000110.3I266 G270 S271 P292 Q293I266-I295 HydrophobicContact CG2-CB 4.03Å; I266-I295 HydrophobicContact CG2-CG1 3.99Å; I266-I295 HydrophobicContact CG2-CG2 4.38Å; I266-I295 WeakPolarHBondContact O-CG2 3.28Å; G270-I295 WeakPolarHBondContact CA-O 3.32Å; S271-I295 PolarHBondContact N-O 2.88Å; S271-I295 WeakPolarHBondContact OG-CA 3.3Å; S271-I295 WeakPolarHBondContact OG-CB 3.35Å; S271-I295 PolarHBondContact OG-N 2.96Å; S271-I295 PolarHBondContact OG-O 3.49Å; P292-I295 HydrophobicContact CB-CG1 4.03Å; Q293-I295 PolarHBondContact O-N 3.12Å
296K95.8Very high93.2Very high162 Ų16287.8 Ų87.870%0.70441%0.409SS*.PPolyproline II helixtrans-77.9159.6176.2-66.1-176.5-178.8178.70111.2H298K296-H298 PolarHBondContact O-CD2 3.02Å; K296-H298 PolarHBondContact O-NE2 2.84Å
297R97.3Very high93.3Very high88 Ų8886.4 Ų86.433%0.33240%0.403SS..PPolyproline II helixtrans-77.5125.5173.4-178.1173.1-175.284.6-2.5110.1C269 V299 D317 L320C269-R297 WeakPolarHBondContact O-CB 3.44Å; C269-R297 WeakPolarHBondContact O-CG 3.27Å; C269-R297 PolarHBondContact O-NH1 2.8Å; R297-V299 HydrophobicContact CG-CG2 4.24Å; R297-D317 IonicContact CZ-OD1 3.22Å; R297-D317 IonicContact NE-OD1 3.11Å; R297-D317 PolarHBondContact NE-OD1 2.91Å; R297-D317 PolarHBondContact NH2-O 3.49Å; R297-D317 IonicContact NH2-OD1 2.66Å; R297-D317 PolarHBondContact NH2-OD1 3.22Å; R297-L320 PolarHBondContact NH1-O 3.36Å; R297-L320 PolarHBondContact NH2-O 3.24Å
298H96.2Very high93.4Very high50 Ų5084 Ų8423%0.23141%0.412CS..  trans-117.78-175.2-65.1-71.9000113.9L268 K296 R300 E301 K302L268-H298 PolarHBondContact O-N 2.91Å; K296-H298 PolarHBondContact O-CD2 3.02Å; K296-H298 PolarHBondContact O-NE2 2.84Å; H298-R300 PolarHBondContact O-N 3.42Å; H298-E301 IonicContact CE1-OE2 2.8Å; H298-E301 IonicContact CG-OE2 3.06Å; H298-E301 IonicContact ND1-OE2 3.82Å; H298-E301 PolarHBondContact ND1-OE2 3.32Å; H298-E301 PolarHBondContact O-N 2.94Å; H298-K302 HydrophobicContact CB-CD 4.11Å; H298-K302 HydrophobicContact CB-CG 4.29Å; H298-K302 WeakPolarHBondContact O-CB 3.26Å; H298-K302 WeakPolarHBondContact O-CG 3.39Å; H298-K302 PolarHBondContact O-N 3.37Å
299V96.4Very high93.7Very high1 Ų177.9 Ų77.91%0.00638%0.384CS..Hα-helixtrans-53.2-55.5-176.41780000112.1L268 R297 K302 L303 I316 D317L268-V299 HydrophobicContact CD1-CG2 4.21Å; L268-V299 HydrophobicContact CG-CG2 3.98Å; L268-V299 WeakPolarHBondContact O-CG2 3.26Å; L268-V299 PolarHBondContact O-N 3.47Å; R297-V299 HydrophobicContact CG-CG2 4.24Å; V299-K302 PolarHBondContact O-N 2.8Å; V299-L303 HydrophobicContact CG1-CD1 3.67Å; V299-L303 WeakPolarHBondContact O-CB 3.36Å; V299-L303 VanDerWaalsContact O-CG 3.27Å; V299-L303 WeakPolarHBondContact O-CG 3.11Å; V299-L303 PolarHBondContact O-N 3.35Å; V299-L303 VanDerWaalsContact O-N 3.1Å; V299-I316 HydrophobicContact CG1-CG2 4.44Å; V299-D317 HydrophobicContact CG1-CB 4.16Å
300R96.9Very high94.2Very high116 Ų11682 Ų8244%0.43840%0.4SS..Hα-helixtrans-63.2-49.2179.8-61.2-172.4-175.6-135.6-8111.6H298 K302 L303 T304 V313 D314 D317H298-R300 PolarHBondContact O-N 3.42Å; R300-K302 VanDerWaalsContact C-N 3.27Å; R300-K302 PolarHBondContact O-N 2.8Å; R300-L303 PolarHBondContact O-N 2.94Å; R300-L303 VanDerWaalsContact O-N 3.11Å; R300-T304 WeakPolarHBondContact O-CB 3.34Å; R300-T304 PolarHBondContact O-N 3.07Å; R300-T304 PolarHBondContact O-OG1 2.95Å; R300-V313 HydrophobicContact CB-CG1 4.09Å; R300-V313 HydrophobicContact CG-CG1 4.03Å; R300-D314 IonicContact CZ-OD1 3.48Å; R300-D314 IonicContact NH1-OD1 2.8Å; R300-D314 PolarHBondContact NH1-OD1 3.4Å; R300-D314 VanDerWaalsContact NH1-OD1 3.12Å; R300-D314 IonicContact NH2-OD1 3.29Å; R300-D314 PolarHBondContact NH2-OD1 3.1Å; R300-D317 HydrophobicContact CG-CB 4.19Å; R300-D317 IonicContact CZ-OD2 3.95Å; R300-D317 VanDerWaalsContact CZ-OD2 3.29Å; R300-D317 IonicContact NE-OD2 3.95Å; R300-D317 PolarHBondContact NE-OD2 3.39Å; R300-D317 IonicContact NH2-OD2 2.76Å; R300-D317 PolarHBondContact NH2-OD2 2.89Å
301E95.1Very high94.7Very high133 Ų13370.6 Ų70.662%0.62136%0.36SS*.Hα-helixtrans-53.5-43.4-179.7-175.3-171.816000112.4H298 P305H298-E301 IonicContact CE1-OE2 2.8Å; H298-E301 IonicContact CG-OE2 3.06Å; H298-E301 IonicContact ND1-OE2 3.82Å; H298-E301 PolarHBondContact ND1-OE2 3.32Å; H298-E301 PolarHBondContact O-N 2.94Å; E301-P305 WeakPolarHBondContact O-CD 3.41Å
302K93.6Very high95Very high47 Ų4769.8 Ų69.820%0.20436%0.356CS..Hα-helixtrans-78.5-27-179.7-73.3178.8-176.9-76.30113.6L268 H298 V299 R300 Y416 F420L268-K302 HydrophobicContact CD1-CB 4.49Å; L268-K302 HydrophobicContact CD1-CD 3.72Å; H298-K302 HydrophobicContact CB-CD 4.11Å; H298-K302 HydrophobicContact CB-CG 4.29Å; H298-K302 WeakPolarHBondContact O-CB 3.26Å; H298-K302 WeakPolarHBondContact O-CG 3.39Å; H298-K302 PolarHBondContact O-N 3.37Å; V299-K302 PolarHBondContact O-N 2.8Å; R300-K302 VanDerWaalsContact C-N 3.27Å; R300-K302 PolarHBondContact O-N 2.8Å; K302-Y416 HydrophobicContact CD-CD1 4.24Å; K302-Y416 HydrophobicContact CD-CG 4.34Å; K302-F420 HydrophobicContact CB-CB 3.92Å; K302-F420 HydrophobicContact CB-CD1 3.97Å; K302-F420 HydrophobicContact CB-CD2 3.89Å; K302-F420 HydrophobicContact CB-CE1 4.48Å; K302-F420 HydrophobicContact CB-CE2 4.39Å; K302-F420 HydrophobicContact CB-CG 3.65Å; K302-F420 HydrophobicContact CD-CD2 3.7Å; K302-F420 HydrophobicContact CD-CE2 4.05Å; K302-F420 HydrophobicContact CD-CG 4.3Å; K302-F420 HydrophobicContact CG-CB 4.4Å; K302-F420 HydrophobicContact CG-CD2 4.23Å; K302-F420 HydrophobicContact CG-CG 4.34Å
303L94.4Very high95.3Very high2 Ų268.1 Ų68.11%0.0135%0.345CS..Hα-helixtrans-90.6-35.6-177.2-72.3173.8000113.9A244 V299 R300 P305 K306 I307 V313 I316 F420A244-L303 HydrophobicContact CB-CD2 4.49Å; V299-L303 HydrophobicContact CG1-CD1 3.67Å; V299-L303 WeakPolarHBondContact O-CB 3.36Å; V299-L303 VanDerWaalsContact O-CG 3.27Å; V299-L303 WeakPolarHBondContact O-CG 3.11Å; V299-L303 PolarHBondContact O-N 3.35Å; V299-L303 VanDerWaalsContact O-N 3.1Å; R300-L303 PolarHBondContact O-N 2.94Å; R300-L303 VanDerWaalsContact O-N 3.11Å; L303-P305 VanDerWaalsContact C-CD 3.43Å; L303-P305 VanDerWaalsContact C-N 3.32Å; L303-K306 PolarHBondContact O-N 2.93Å; L303-I307 HydrophobicContact CB-CD1 4.2Å; L303-I307 HydrophobicContact CD2-CD1 3.95Å; L303-I307 PolarHBondContact O-N 3.48Å; L303-V313 HydrophobicContact CB-CG1 4.21Å; L303-V313 HydrophobicContact CB-CG2 4.22Å; L303-I316 HydrophobicContact CD1-CB 3.95Å; L303-I316 HydrophobicContact CD1-CD1 4.07Å; L303-I316 HydrophobicContact CD1-CG2 3.45Å; L303-I316 VanDerWaalsContact CD1-CG2 3.45Å; L303-F420 HydrophobicContact CD2-CD1 3.9Å; L303-F420 HydrophobicContact CD2-CE1 3.45Å; L303-F420 VanDerWaalsContact CD2-CE1 3.45Å; L303-F420 HydrophobicContact CG-CD1 4.49Å; L303-F420 HydrophobicContact CG-CE1 4.08Å
304T95.2Very high95.6Very high68 Ų6865.4 Ų65.442%0.41733%0.334SS..THydrogen-bonded Turntrans-54.5-37-177.6-63.80000114R300 K306 L310R300-T304 WeakPolarHBondContact O-CB 3.34Å; R300-T304 PolarHBondContact O-N 3.07Å; R300-T304 PolarHBondContact O-OG1 2.95Å; T304-K306 PolarHBondContact O-N 2.8Å; T304-L310 HydrophobicContact CG2-CD2 4.43Å
305P93.9Very high95.8Very high106 Ų10657.8 Ų57.869%0.68829%0.293SS*.THydrogen-bonded Turntrans-65.3-22.6174.8-24.235.6000114.7E301 L303E301-P305 WeakPolarHBondContact O-CD 3.41Å; L303-P305 VanDerWaalsContact C-CD 3.43Å; L303-P305 VanDerWaalsContact C-N 3.32Å
306K91.7Very high95.9Very high78 Ų7855.1 Ų55.134%0.33928%0.28SS..THydrogen-bonded Turntrans-104-23.3-176.2-69.9-167.9163.7173.60114L303 T304 V419 F420L303-K306 PolarHBondContact O-N 2.93Å; T304-K306 PolarHBondContact O-N 2.8Å; K306-V419 PolarHBondContact NZ-O 3.13Å; K306-F420 WeakPolarHBondContact CE-O 3.31Å; K306-F420 WeakPolarHBondContact CE-OXT 3.46Å; K306-F420 PolarHBondContact NZ-O 3.41Å; K306-F420 PolarHBondContact NZ-OXT 2.92Å
307I94.5Very high96.1Very high2 Ų248.4 Ų48.41%0.0125%0.251CS..  trans-117.1110.7-174.2-52.9-169.8000108.6W247 L303 S309 A312 V313 I316W247-I307 HydrophobicContact CB-CD1 4.3Å; W247-I307 HydrophobicContact CB-CG1 3.99Å; W247-I307 HydrophobicContact CD2-CD1 3.72Å; W247-I307 HydrophobicContact CD2-CG1 3.8Å; W247-I307 HydrophobicContact CD2-CG2 4.39Å; W247-I307 HydrophobicContact CE3-CD1 3.81Å; W247-I307 HydrophobicContact CE3-CG1 4.41Å; W247-I307 HydrophobicContact CG-CD1 3.97Å; W247-I307 HydrophobicContact CG-CG1 3.6Å; W247-I307 HydrophobicContact CZ2-CG2 3.95Å; W247-I307 HydrophobicContact CZ3-CD1 4.37Å; L303-I307 HydrophobicContact CB-CD1 4.2Å; L303-I307 HydrophobicContact CD2-CD1 3.95Å; L303-I307 PolarHBondContact O-N 3.48Å; I307-S309 VanDerWaalsContact C-N 3.33Å; I307-S309 WeakPolarHBondContact CG2-O 3.38Å; I307-S309 PolarHBondContact O-N 2.83Å; I307-A312 HydrophobicContact CG2-CB 3.55Å; I307-V313 HydrophobicContact CB-CG2 3.66Å; I307-V313 HydrophobicContact CD1-CG2 4.34Å; I307-V313 HydrophobicContact CG1-CG2 4.43Å; I307-V313 HydrophobicContact CG2-CG2 3.84Å; I307-I316 HydrophobicContact CD1-CD1 3.45Å; I307-I316 VanDerWaalsContact CD1-CD1 3.45Å
308S92.1Very high96.1Very high114 Ų11447.1 Ų47.180%0.79725%0.249SC*.SBendtrans-69.7-29.1179.557.40000113.4L310S308-L310 PolarHBondContact O-N 2.89Å
309S95.5Very high96.3Very high11 Ų1144.8 Ų44.88%0.07724%0.238CC..  trans-81115.8176163.20000110.4I307 A311 A312 V313 E341I307-S309 VanDerWaalsContact C-N 3.33Å; I307-S309 WeakPolarHBondContact CG2-O 3.38Å; I307-S309 PolarHBondContact O-N 2.83Å; S309-A311 VanDerWaalsContact C-N 3.25Å; S309-A311 PolarHBondContact O-N 2.88Å; S309-A311 PolarHBondContact OG-N 2.89Å; S309-A312 PolarHBondContact O-N 2.88Å; S309-A312 PolarHBondContact OG-N 3.19Å; S309-V313 PolarHBondContact O-N 3.34Å; S309-E341 VanDerWaalsContact CB-OE1 3.3Å; S309-E341 WeakPolarHBondContact CB-OE1 3.26Å; S309-E341 PolarHBondContact OG-OE1 2.81Å; S309-E341 PolarHBondContact OG-OE2 2.83Å
310L96.5Very high96.4Very high123 Ų12344.7 Ų44.764%0.64424%0.238SC*.Hα-helixtrans-65.9-30.7173.9-63.5-179.7000111.8T304 S308 V313 D314T304-L310 HydrophobicContact CG2-CD2 4.43Å; S308-L310 PolarHBondContact O-N 2.89Å; L310-V313 PolarHBondContact O-N 3.25Å; L310-D314 WeakPolarHBondContact O-CB 3.39Å; L310-D314 PolarHBondContact O-N 3.42Å
311A97.7Very high96.4Very high14 Ų1440.8 Ų40.812%0.11623%0.226CC..Hα-helixtrans-69.2-34.2175.800000112.1S309 D314 L315 H336 Y338 E341S309-A311 VanDerWaalsContact C-N 3.25Å; S309-A311 PolarHBondContact O-N 2.88Å; S309-A311 PolarHBondContact OG-N 2.89Å; A311-D314 PolarHBondContact O-N 2.97Å; A311-L315 WeakPolarHBondContact O-CB 3.49Å; A311-L315 PolarHBondContact O-N 2.79Å; A311-H336 PolarHBondContact O-CE1 3.42Å; A311-Y338 HydrophobicContact CB-CD2 4.46Å; A311-E341 VanDerWaalsContact CB-OE2 3.25Å; A311-E341 WeakPolarHBondContact CB-OE2 3.22Å
312A98Very high96.6Very high0 Ų034.6 Ų34.60%020%0.198CC..Hα-helixtrans-63.6-44.4170.700000111.8M243 W247 I307 S309 D314 L315 I316 Y338M243-A312 HydrophobicContact CE-CB 3.98Å; W247-A312 HydrophobicContact CH2-CB 3.81Å; W247-A312 HydrophobicContact CZ2-CB 3.96Å; I307-A312 HydrophobicContact CG2-CB 3.55Å; S309-A312 PolarHBondContact O-N 2.88Å; S309-A312 PolarHBondContact OG-N 3.19Å; A312-D314 VanDerWaalsContact C-N 3.31Å; A312-D314 PolarHBondContact O-N 3.28Å; A312-L315 PolarHBondContact O-N 2.83Å; A312-I316 WeakPolarHBondContact O-CG1 3.39Å; A312-I316 PolarHBondContact O-N 3.18Å; A312-Y338 HydrophobicContact CB-CD2 3.71Å; A312-Y338 HydrophobicContact CB-CE2 3.53Å; A312-Y338 HydrophobicContact CB-CG 4.45Å
313V98.2Very high96.8Very high4 Ų432.7 Ų32.72%0.02419%0.19CC..Hα-helixtrans-60.4-44.2176.4176.30000110.5R300 L303 I307 S309 L310 I316 D317R300-V313 HydrophobicContact CB-CG1 4.09Å; R300-V313 HydrophobicContact CG-CG1 4.03Å; L303-V313 HydrophobicContact CB-CG1 4.21Å; L303-V313 HydrophobicContact CB-CG2 4.22Å; I307-V313 HydrophobicContact CB-CG2 3.66Å; I307-V313 HydrophobicContact CD1-CG2 4.34Å; I307-V313 HydrophobicContact CG1-CG2 4.43Å; I307-V313 HydrophobicContact CG2-CG2 3.84Å; S309-V313 PolarHBondContact O-N 3.34Å; L310-V313 PolarHBondContact O-N 3.25Å; V313-I316 PolarHBondContact O-N 3.48Å; V313-D317 WeakPolarHBondContact O-CB 3.49Å; V313-D317 PolarHBondContact O-N 2.71Å
314D98.4Very high96.9Very high39 Ų3933.7 Ų33.721%0.20920%0.196CC..Hα-helixtrans-63-45.3178.8-164.780000112R300 L310 A311 A312 I316 D317 Q318 H336R300-D314 IonicContact CZ-OD1 3.48Å; R300-D314 IonicContact NH1-OD1 2.8Å; R300-D314 PolarHBondContact NH1-OD1 3.4Å; R300-D314 VanDerWaalsContact NH1-OD1 3.12Å; R300-D314 IonicContact NH2-OD1 3.29Å; R300-D314 PolarHBondContact NH2-OD1 3.1Å; L310-D314 WeakPolarHBondContact O-CB 3.39Å; L310-D314 PolarHBondContact O-N 3.42Å; A311-D314 PolarHBondContact O-N 2.97Å; A312-D314 VanDerWaalsContact C-N 3.31Å; A312-D314 PolarHBondContact O-N 3.28Å; D314-I316 PolarHBondContact O-N 2.96Å; D314-D317 WeakPolarHBondContact O-CB 3.1Å; D314-D317 PolarHBondContact O-N 3.24Å; D314-D317 VanDerWaalsContact O-N 3.17Å; D314-Q318 WeakPolarHBondContact O-CG 3.47Å; D314-Q318 PolarHBondContact O-N 2.91Å; D314-Q318 PolarHBondContact OD2-NE2 3.32Å; D314-H336 IonicContact OD2-CE1 3.16Å; D314-H336 IonicContact OD2-NE2 2.88Å; D314-H336 PolarHBondContact OD2-NE2 3.36Å; D314-H336 VanDerWaalsContact OD2-NE2 3.11Å
315L98.7Very high96.9Very high0 Ų035.2 Ų35.20%021%0.21CC..Hα-helixtrans-60.9-44.4176.5-177.852.6000112M243 A311 A312 D317 Q318 L319 L328 A333 H336 Y338 F339M243-L315 HydrophobicContact CE-CB 4.07Å; M243-L315 HydrophobicContact CE-CD2 3.85Å; M243-L315 HydrophobicContact CE-CG 4.13Å; M243-L315 HydrophobicContact SD-CB 4.22Å; M243-L315 HydrophobicContact SD-CD2 3.72Å; M243-L315 HydrophobicContact SD-CG 3.76Å; A311-L315 WeakPolarHBondContact O-CB 3.49Å; A311-L315 PolarHBondContact O-N 2.79Å; A312-L315 PolarHBondContact O-N 2.83Å; L315-D317 VanDerWaalsContact C-N 3.33Å; L315-D317 PolarHBondContact O-N 3.47Å; L315-Q318 PolarHBondContact O-N 2.63Å; L315-L319 HydrophobicContact CD1-CD1 4.05Å; L315-L319 HydrophobicContact CD1-CG 4.15Å; L315-L319 HydrophobicContact CG-CD1 4.02Å; L315-L319 WeakPolarHBondContact O-CB 3.43Å; L315-L319 VanDerWaalsContact O-CG 3.25Å; L315-L319 WeakPolarHBondContact O-CG 3.47Å; L315-L319 PolarHBondContact O-N 2.88Å; L315-L328 HydrophobicContact CD1-CD1 3.96Å; L315-A333 HydrophobicContact CD1-CB 4.12Å; L315-H336 HydrophobicContact CD1-CB 4.02Å; L315-H336 HydrophobicContact CD2-CB 4.34Å; L315-Y338 HydrophobicContact CD2-CD1 3.9Å; L315-Y338 HydrophobicContact CD2-CG 4.43Å; L315-F339 HydrophobicContact CD2-CE2 3.89Å; L315-F339 HydrophobicContact CD2-CZ 4.12Å
316I98.6Very high97.1Very high0 Ų035.5 Ų35.50%020%0.2CC..Hα-helixtrans-62-43.2176-65.5162.9000110.6M243 A244 W247 V299 L303 I307 A312 V313 D314 Q318 L319 L320M243-I316 HydrophobicContact CB-CG1 3.98Å; M243-I316 HydrophobicContact CE-CD1 4.38Å; M243-I316 HydrophobicContact CE-CG1 4Å; M243-I316 HydrophobicContact CG-CD1 4Å; M243-I316 HydrophobicContact CG-CG1 3.57Å; M243-I316 HydrophobicContact SD-CG1 3.68Å; A244-I316 HydrophobicContact CB-CD1 4.3Å; A244-I316 HydrophobicContact CB-CG2 4.09Å; W247-I316 HydrophobicContact CE3-CD1 4.47Å; W247-I316 HydrophobicContact CZ3-CD1 4.3Å; V299-I316 HydrophobicContact CG1-CG2 4.44Å; L303-I316 HydrophobicContact CD1-CB 3.95Å; L303-I316 HydrophobicContact CD1-CD1 4.07Å; L303-I316 HydrophobicContact CD1-CG2 3.45Å; L303-I316 VanDerWaalsContact CD1-CG2 3.45Å; I307-I316 HydrophobicContact CD1-CD1 3.45Å; I307-I316 VanDerWaalsContact CD1-CD1 3.45Å; A312-I316 WeakPolarHBondContact O-CG1 3.39Å; A312-I316 PolarHBondContact O-N 3.18Å; V313-I316 PolarHBondContact O-N 3.48Å; D314-I316 PolarHBondContact O-N 2.96Å; I316-Q318 VanDerWaalsContact C-N 3.32Å; I316-Q318 PolarHBondContact O-N 3.17Å; I316-L319 PolarHBondContact O-N 3.47Å; I316-L320 HydrophobicContact CG2-CD1 3.69Å; I316-L320 HydrophobicContact CG2-CG 4.18Å; I316-L320 WeakPolarHBondContact O-CB 3.44Å; I316-L320 WeakPolarHBondContact O-CG 3.46Å; I316-L320 PolarHBondContact O-N 3.08Å
317D98.5Very high97.4Very high20 Ų2032.2 Ų32.211%0.10719%0.186CC..Hα-helixtrans-59.3-43177.9-174.148.1000111.8R297 V299 R300 V313 D314 L315 L320R297-D317 IonicContact CZ-OD1 3.22Å; R297-D317 IonicContact NE-OD1 3.11Å; R297-D317 PolarHBondContact NE-OD1 2.91Å; R297-D317 PolarHBondContact NH2-O 3.49Å; R297-D317 IonicContact NH2-OD1 2.66Å; R297-D317 PolarHBondContact NH2-OD1 3.22Å; V299-D317 HydrophobicContact CG1-CB 4.16Å; R300-D317 HydrophobicContact CG-CB 4.19Å; R300-D317 IonicContact CZ-OD2 3.95Å; R300-D317 VanDerWaalsContact CZ-OD2 3.29Å; R300-D317 IonicContact NE-OD2 3.95Å; R300-D317 PolarHBondContact NE-OD2 3.39Å; R300-D317 IonicContact NH2-OD2 2.76Å; R300-D317 PolarHBondContact NH2-OD2 2.89Å; V313-D317 WeakPolarHBondContact O-CB 3.49Å; V313-D317 PolarHBondContact O-N 2.71Å; D314-D317 WeakPolarHBondContact O-CB 3.1Å; D314-D317 PolarHBondContact O-N 3.24Å; D314-D317 VanDerWaalsContact O-N 3.17Å; L315-D317 VanDerWaalsContact C-N 3.33Å; L315-D317 PolarHBondContact O-N 3.47Å; D317-L320 PolarHBondContact O-N 3.19Å
318Q98.6Very high97.6Very high62 Ų6233 Ų3329%0.2919%0.19SC..Hα-helixtrans-75-21.9178.5-65.6-163.965.500114D314 L315 I316 V321 L328 H336D314-Q318 WeakPolarHBondContact O-CG 3.47Å; D314-Q318 PolarHBondContact O-N 2.91Å; D314-Q318 PolarHBondContact OD2-NE2 3.32Å; L315-Q318 PolarHBondContact O-N 2.63Å; I316-Q318 VanDerWaalsContact C-N 3.32Å; I316-Q318 PolarHBondContact O-N 3.17Å; Q318-V321 WeakPolarHBondContact O-CG2 3.32Å; Q318-L328 HydrophobicContact CB-CD1 3.47Å; Q318-L328 VanDerWaalsContact CB-CD1 3.47Å; Q318-L328 HydrophobicContact CB-CG 3.73Å; Q318-L328 HydrophobicContact CG-CD1 4.31Å; Q318-L328 PolarHBondContact O-N 2.9Å; Q318-H336 PolarHBondContact NE2-NE2 3.19Å
319L98.7Very high97.9Very high0 Ų030.7 Ų30.70%017%0.168CC..Hα-helixtrans-82.8-29.3171.7-69.9170.7000112.9M236 M243 L315 I316 V321 R327 L328 A333M236-L319 HydrophobicContact CB-CD2 4.33Å; M236-L319 HydrophobicContact CE-CD2 3.5Å; M236-L319 VanDerWaalsContact CE-CD2 3.5Å; M243-L319 HydrophobicContact SD-CD1 4.29Å; L315-L319 HydrophobicContact CD1-CD1 4.05Å; L315-L319 HydrophobicContact CD1-CG 4.15Å; L315-L319 HydrophobicContact CG-CD1 4.02Å; L315-L319 WeakPolarHBondContact O-CB 3.43Å; L315-L319 VanDerWaalsContact O-CG 3.25Å; L315-L319 WeakPolarHBondContact O-CG 3.47Å; L315-L319 PolarHBondContact O-N 2.88Å; I316-L319 PolarHBondContact O-N 3.47Å; L319-V321 VanDerWaalsContact C-N 3.31Å; L319-V321 PolarHBondContact O-N 3.07Å; L319-R327 WeakPolarHBondContact O-CD 3.43Å; L319-R327 VanDerWaalsContact O-CG 3.26Å; L319-R327 WeakPolarHBondContact O-CG 3.23Å; L319-L328 HydrophobicContact CD2-CB 4.36Å; L319-A333 HydrophobicContact CD2-CB 4.36Å
320L98.7Very high98.1Very high0 Ų030.3 Ų30.30%017%0.166CC..SBendtrans-95.539.8178.7-62-178.5000112.4W237 I252 R297 I316 D317W237-L320 HydrophobicContact CD2-CD2 4.11Å; W237-L320 HydrophobicContact CE3-CD2 4.15Å; W237-L320 HydrophobicContact CH2-CD2 4.43Å; W237-L320 HydrophobicContact CZ2-CD2 4.39Å; W237-L320 HydrophobicContact CZ3-CB 4.37Å; W237-L320 HydrophobicContact CZ3-CD2 4.32Å; I252-L320 HydrophobicContact CD1-CD1 3.75Å; R297-L320 PolarHBondContact NH1-O 3.36Å; R297-L320 PolarHBondContact NH2-O 3.24Å; I316-L320 HydrophobicContact CG2-CD1 3.69Å; I316-L320 HydrophobicContact CG2-CG 4.18Å; I316-L320 WeakPolarHBondContact O-CB 3.44Å; I316-L320 WeakPolarHBondContact O-CG 3.46Å; I316-L320 PolarHBondContact O-N 3.08Å; D317-L320 PolarHBondContact O-N 3.19Å
321V98.5Very high98.2Very high33 Ų3330 Ų3020%0.216%0.161CC..  trans-83132.4174.7177.10000109.8Q318 L319 K326 R327Q318-V321 WeakPolarHBondContact O-CG2 3.32Å; L319-V321 VanDerWaalsContact C-N 3.31Å; L319-V321 PolarHBondContact O-N 3.07Å; V321-K326 HydrophobicContact CG1-CB 3.86Å; V321-R327 HydrophobicContact CB-CB 4.17Å; V321-R327 HydrophobicContact CB-CG 4.42Å; V321-R327 PolarHBondContact O-NE 3.33Å; V321-R327 PolarHBondContact O-NH2 2.72Å
322L98.3Very high98.2Very high4 Ų434.1 Ų34.12%0.02118%0.178CC..SBendtrans-64.5-49.7-176.2-68.4172000112P221 I265 C269 G270 I272 I276 P324 R327P221-L322 HydrophobicContact CB-CD2 4.4Å; P221-L322 HydrophobicContact CG-CD2 4.07Å; I265-L322 HydrophobicContact CG2-CD2 3.63Å; C269-L322 HydrophobicContact CB-CD1 4.32Å; C269-L322 HydrophobicContact CB-CD2 3.68Å; C269-L322 HydrophobicContact CB-CG 3.95Å; G270-L322 WeakPolarHBondContact O-CD1 3.25Å; I272-L322 HydrophobicContact CG1-CD1 4.04Å; I272-L322 HydrophobicContact CG1-CD2 4.2Å; I276-L322 HydrophobicContact CG2-CB 4.46Å; I276-L322 HydrophobicContact CG2-CD1 4.11Å; L322-P324 VanDerWaalsContact O-CD 3.31Å; L322-P324 WeakPolarHBondContact O-CD 3.38Å; L322-R327 PolarHBondContact O-NH2 3.02Å
323D97.6Very high98.2Very high7 Ų734.1 Ų34.14%0.03718%0.178CC..SBendtrans-71.9113.1175.9-176.8-15000110W277 S325 K326 R327W277-D323 HydrophobicContact CB-CB 4.01Å; W277-D323 HydrophobicContact CD2-CB 4.48Å; W277-D323 HydrophobicContact CG-CB 3.86Å; D323-S325 PolarHBondContact O-N 3.45Å; D323-S325 VanDerWaalsContact O-N 3.14Å; D323-S325 WeakPolarHBondContact OD1-CB 3.38Å; D323-S325 PolarHBondContact OD1-N 3.38Å; D323-S325 PolarHBondContact OD1-OG 2.96Å; D323-S325 PolarHBondContact OD2-OG 3.19Å; D323-K326 HydrophobicContact CB-CB 4.33Å; D323-K326 HydrophobicContact CB-CD 4.07Å; D323-K326 HydrophobicContact CB-CG 4.21Å; D323-K326 PolarHBondContact O-N 3.03Å; D323-K326 VanDerWaalsContact O-N 3.08Å; D323-K326 VanDerWaalsContact OD2-CE 3.26Å; D323-K326 WeakPolarHBondContact OD2-CE 3.47Å; D323-K326 IonicContact OD2-NZ 3.83Å; D323-R327 PolarHBondContact O-N 3.45Å
324P97.1Very high98.2Very high23 Ų2335.4 Ų35.415%0.14919%0.185CC..THydrogen-bonded Turntrans-62.8-21.3-178.326.3-34.3000113.2E222 P233 W277 L322 K326E222-P324 HydrophobicContact CB-CG 4.35Å; E222-P324 HydrophobicContact CG-CG 4.4Å; P233-P324 HydrophobicContact CB-CB 3.7Å; P233-P324 WeakPolarHBondContact CB-O 3.49Å; P233-P324 HydrophobicContact CG-CB 4.13Å; P233-P324 WeakPolarHBondContact CG-O 3.13Å; W277-P324 HydrophobicContact CZ2-CG 4.05Å; L322-P324 VanDerWaalsContact O-CD 3.31Å; L322-P324 WeakPolarHBondContact O-CD 3.38Å; P324-K326 VanDerWaalsContact C-N 3.31Å
325S95.9Very high98.2Very high99 Ų9937.1 Ų37.169%0.69220%0.2SC*.THydrogen-bonded Turntrans-76.4-18.1177.772.30000113.8D323D323-S325 PolarHBondContact O-N 3.45Å; D323-S325 VanDerWaalsContact O-N 3.14Å; D323-S325 WeakPolarHBondContact OD1-CB 3.38Å; D323-S325 PolarHBondContact OD1-N 3.38Å; D323-S325 PolarHBondContact OD1-OG 2.96Å; D323-S325 PolarHBondContact OD2-OG 3.19Å
326K97.7Very high98.2Very high112 Ų11238 Ų3849%0.48720%0.204SC..THydrogen-bonded Turntrans-104.6-8.6179-61.5177.9-171.2167.20112.9I276 V321 D323 P324I276-K326 PolarHBondContact O-NZ 3.45Å; V321-K326 HydrophobicContact CG1-CB 3.86Å; D323-K326 HydrophobicContact CB-CB 4.33Å; D323-K326 HydrophobicContact CB-CD 4.07Å; D323-K326 HydrophobicContact CB-CG 4.21Å; D323-K326 PolarHBondContact O-N 3.03Å; D323-K326 VanDerWaalsContact O-N 3.08Å; D323-K326 VanDerWaalsContact OD2-CE 3.26Å; D323-K326 WeakPolarHBondContact OD2-CE 3.47Å; D323-K326 IonicContact OD2-NZ 3.83Å; P324-K326 VanDerWaalsContact C-N 3.31Å
327R98.3Very high98.2Very high10 Ų1043.7 Ų43.74%0.03823%0.234CC..SBendtrans-72137.3177.8-166.4-179.7-60.31465.7109.4E222 P233 M236 L319 V321 L322 D323 D329E222-R327 IonicContact OE1-CZ 3.93Å; E222-R327 IonicContact OE1-NH1 2.81Å; E222-R327 PolarHBondContact OE1-NH1 2.94Å; E222-R327 IonicContact OE1-NH2 3.96Å; E222-R327 IonicContact OE2-CZ 3.66Å; E222-R327 IonicContact OE2-NH1 2.74Å; E222-R327 IonicContact OE2-NH2 3.05Å; E222-R327 PolarHBondContact OE2-NH2 2.72Å; P233-R327 PolarHBondContact O-NH1 3.46Å; M236-R327 HydrophobicContact CB-CG 4.4Å; L319-R327 WeakPolarHBondContact O-CD 3.43Å; L319-R327 VanDerWaalsContact O-CG 3.26Å; L319-R327 WeakPolarHBondContact O-CG 3.23Å; V321-R327 HydrophobicContact CB-CB 4.17Å; V321-R327 HydrophobicContact CB-CG 4.42Å; V321-R327 PolarHBondContact O-NE 3.33Å; V321-R327 PolarHBondContact O-NH2 2.72Å; L322-R327 PolarHBondContact O-NH2 3.02Å; D323-R327 PolarHBondContact O-N 3.45Å; R327-D329 PolarHBondContact O-N 2.99Å
328L98.5Very high98.2Very high19 Ų1942.7 Ų42.710%0.09923%0.229CC..PPolyproline II helixtrans-56.5138.2178.3-68.5-180000111.4M236 L315 Q318 L319 Q332 A333M236-L328 WeakPolarHBondContact CB-O 3.5Å; M236-L328 WeakPolarHBondContact CG-O 3.36Å; L315-L328 HydrophobicContact CD1-CD1 3.96Å; Q318-L328 HydrophobicContact CB-CD1 3.47Å; Q318-L328 VanDerWaalsContact CB-CD1 3.47Å; Q318-L328 HydrophobicContact CB-CG 3.73Å; Q318-L328 HydrophobicContact CG-CD1 4.31Å; Q318-L328 PolarHBondContact O-N 2.9Å; L319-L328 HydrophobicContact CD2-CB 4.36Å; L328-Q332 HydrophobicContact CB-CB 4.42Å; L328-Q332 HydrophobicContact CD2-CB 3.82Å; L328-A333 HydrophobicContact CB-CB 4.5Å
329D98.5Very high98.1Very high65 Ų6540.2 Ų40.235%0.34822%0.217SC..PPolyproline II helixtrans-79.3173164.170.441.4000111.4R327 E331 Q332 A333R327-D329 PolarHBondContact O-N 2.99Å; D329-E331 VanDerWaalsContact C-N 3.3Å; D329-E331 PolarHBondContact O-N 3.07Å; D329-E331 WeakPolarHBondContact OD1-CA 3.47Å; D329-E331 WeakPolarHBondContact OD1-CB 3.38Å; D329-E331 PolarHBondContact OD1-N 3.03Å; D329-Q332 VanDerWaalsContact N-OE1 3.09Å; D329-Q332 WeakPolarHBondContact OD1-CG 2.98Å; D329-Q332 PolarHBondContact OD1-N 2.7Å; D329-A333 VanDerWaalsContact O-CB 3.26Å; D329-A333 WeakPolarHBondContact O-CB 3.41Å; D329-A333 PolarHBondContact O-N 2.85Å
330A98.5Very high98Very high2 Ų248 Ų482%0.01725%0.247CC..Hα-helixtrans-66.1-30.2-176.400000113.4V160 F161 M236 L334V160-A330 HydrophobicContact CB-CB 4.46Å; V160-A330 HydrophobicContact CG1-CB 4.13Å; F161-A330 HydrophobicContact CB-CB 3.71Å; F161-A330 HydrophobicContact CD2-CB 4.3Å; M236-A330 HydrophobicContact CE-CB 4.21Å; M236-A330 HydrophobicContact SD-CB 3.82Å; A330-L334 WeakPolarHBondContact O-CB 3.44Å; A330-L334 WeakPolarHBondContact O-CD1 3.48Å; A330-L334 WeakPolarHBondContact O-CG 3.45Å; A330-L334 PolarHBondContact O-N 2.97Å
331E98.2Very high97.8Very high117 Ų11750.8 Ų50.855%0.54726%0.26SS..Hα-helixtrans-73.1-46.8179.6-175170-156.800111F161 D329 A333 L334 S335F161-E331 HydrophobicContact CD2-CB 3.96Å; F161-E331 HydrophobicContact CE2-CB 3.74Å; F161-E331 HydrophobicContact CE2-CG 4.16Å; D329-E331 VanDerWaalsContact C-N 3.3Å; D329-E331 PolarHBondContact O-N 3.07Å; D329-E331 WeakPolarHBondContact OD1-CA 3.47Å; D329-E331 WeakPolarHBondContact OD1-CB 3.38Å; D329-E331 PolarHBondContact OD1-N 3.03Å; E331-A333 VanDerWaalsContact C-N 3.33Å; E331-A333 PolarHBondContact O-N 2.75Å; E331-L334 PolarHBondContact O-N 2.53Å; E331-S335 PolarHBondContact O-N 3.16Å; E331-S335 VanDerWaalsContact O-N 3.13Å; E331-S335 PolarHBondContact O-OG 3.46Å; E331-S335 VanDerWaalsContact O-OG 3.1Å
332Q98.6Very high97.6Very high100 Ų10056 Ų5647%0.46729%0.288SS..Hα-helixtrans-61.7-43.2174.8-62.5171.9-36.900110.9L328 D329 L334 S335 H336L328-Q332 HydrophobicContact CB-CB 4.42Å; L328-Q332 HydrophobicContact CD2-CB 3.82Å; D329-Q332 VanDerWaalsContact N-OE1 3.09Å; D329-Q332 WeakPolarHBondContact OD1-CG 2.98Å; D329-Q332 PolarHBondContact OD1-N 2.7Å; Q332-L334 PolarHBondContact O-N 2.68Å; Q332-S335 PolarHBondContact O-N 2.84Å; Q332-H336 PolarHBondContact O-N 3.43Å
333A98.7Very high97.5Very high0 Ų058.3 Ų58.30%030%0.303CS..Hα-helixtrans-62.4-40.1176.500000112.3L157 M236 L315 L319 L328 D329 E331 S335 H336 F339L157-A333 HydrophobicContact CD1-CB 3.85Å; L157-A333 HydrophobicContact CD2-CB 4.03Å; M236-A333 HydrophobicContact CE-CB 4.03Å; L315-A333 HydrophobicContact CD1-CB 4.12Å; L319-A333 HydrophobicContact CD2-CB 4.36Å; L328-A333 HydrophobicContact CB-CB 4.5Å; D329-A333 VanDerWaalsContact O-CB 3.26Å; D329-A333 WeakPolarHBondContact O-CB 3.41Å; D329-A333 PolarHBondContact O-N 2.85Å; E331-A333 VanDerWaalsContact C-N 3.33Å; E331-A333 PolarHBondContact O-N 2.75Å; A333-S335 PolarHBondContact O-N 3.15Å; A333-H336 WeakPolarHBondContact O-CB 3.4Å; A333-H336 PolarHBondContact O-N 3Å; A333-F339 VanDerWaalsContact O-CE2 3.26Å; A333-F339 WeakPolarHBondContact O-CE2 3.26Å
334L98.4Very high97.4Very high32 Ų3262.1 Ų62.117%0.16833%0.328CS..Hα-helixtrans-66.5-26.5176.5-79.2166.4000113.4K154 L157 F161 A330 E331 Q332 H336K154-L334 HydrophobicContact CG-CD2 4.34Å; L157-L334 HydrophobicContact CB-CD2 3.67Å; L157-L334 HydrophobicContact CB-CG 3.83Å; F161-L334 HydrophobicContact CB-CD1 3.94Å; F161-L334 HydrophobicContact CG-CD1 4.29Å; A330-L334 WeakPolarHBondContact O-CB 3.44Å; A330-L334 WeakPolarHBondContact O-CD1 3.48Å; A330-L334 WeakPolarHBondContact O-CG 3.45Å; A330-L334 PolarHBondContact O-N 2.97Å; E331-L334 PolarHBondContact O-N 2.53Å; Q332-L334 PolarHBondContact O-N 2.68Å; L334-H336 VanDerWaalsContact C-N 3.31Å
335S98.2Very high97.4Very high75 Ų7563.5 Ų63.552%0.52434%0.336SS..THydrogen-bonded Turntrans-89.94.5179.1-59.70000112.9E331 Q332 A333E331-S335 PolarHBondContact O-N 3.16Å; E331-S335 VanDerWaalsContact O-N 3.13Å; E331-S335 PolarHBondContact O-OG 3.46Å; E331-S335 VanDerWaalsContact O-OG 3.1Å; Q332-S335 PolarHBondContact O-N 2.84Å; A333-S335 PolarHBondContact O-N 3.15Å
336H98.5Very high97.4Very high18 Ų1860.2 Ų60.28%0.08332%0.317CS..SBendtrans-70.8141.9-179-166.1-85.2000112.6A311 D314 L315 Q318 Q332 A333 L334 Y338 F339 Y340A311-H336 PolarHBondContact O-CE1 3.42Å; D314-H336 IonicContact OD2-CE1 3.16Å; D314-H336 IonicContact OD2-NE2 2.88Å; D314-H336 PolarHBondContact OD2-NE2 3.36Å; D314-H336 VanDerWaalsContact OD2-NE2 3.11Å; L315-H336 HydrophobicContact CD1-CB 4.02Å; L315-H336 HydrophobicContact CD2-CB 4.34Å; Q318-H336 PolarHBondContact NE2-NE2 3.19Å; Q332-H336 PolarHBondContact O-N 3.43Å; A333-H336 WeakPolarHBondContact O-CB 3.4Å; A333-H336 PolarHBondContact O-N 3Å; L334-H336 VanDerWaalsContact C-N 3.31Å; H336-Y338 WeakPolarHBondContact ND1-CB 3.29Å; H336-Y338 PolarHBondContact ND1-N 2.99Å; H336-Y338 PolarHBondContact O-N 3.22Å; H336-F339 PolarHBondContact O-N 3.09Å; H336-Y340 WeakPolarHBondContact O-CD2 3.43Å
337D97.8Very high97.2Very high119 Ų11958.1 Ų58.164%0.63631%0.311SS*.G310 helixtrans-50.9-29.6-177.3-69.7-16.6000114.1F339 Y340 E341D337-F339 PolarHBondContact O-N 3.37Å; D337-F339 VanDerWaalsContact O-N 3.1Å; D337-Y340 CarbonylContact O-C 3.38Å; D337-Y340 WeakPolarHBondContact O-CA 3.46Å; D337-Y340 PolarHBondContact O-N 2.9Å; D337-E341 PolarHBondContact O-N 3.33Å
338Y98Very high97.1Very high0 Ų057.7 Ų57.70%031%0.31CS..G310 helixtrans-50-36.6176.2178.1-120.9000113.4E146 K150 M243 W247 A311 A312 L315 H336 Y340 E341E146-Y338 WeakPolarHBondContact OE1-CE2 3.39Å; E146-Y338 PolarHBondContact OE1-OH 3.48Å; K150-Y338 HydrophobicContact CB-CE1 4.46Å; K150-Y338 HydrophobicContact CD-CE2 4.29Å; K150-Y338 VanDerWaalsContact CE-CE2 3.45Å; K150-Y338 WeakPolarHBondContact CE-O 3.42Å; K150-Y338 HydrophobicContact CG-CD1 4.43Å; K150-Y338 HydrophobicContact CG-CE1 3.68Å; K150-Y338 HydrophobicContact CG-CE2 3.83Å; K150-Y338 VanDerWaalsContact CG-OH 3.27Å; K150-Y338 WeakPolarHBondContact CG-OH 3.39Å; K150-Y338 PolarHBondContact NZ-O 3.1Å; M243-Y338 HydrophobicContact CE-CD1 3.8Å; M243-Y338 HydrophobicContact CE-CE1 3.62Å; M243-Y338 HydrophobicContact CE-CG 4.4Å; W247-Y338 WeakPolarHBondContact CH2-OH 3.31Å; A311-Y338 HydrophobicContact CB-CD2 4.46Å; A312-Y338 HydrophobicContact CB-CD2 3.71Å; A312-Y338 HydrophobicContact CB-CE2 3.53Å; A312-Y338 HydrophobicContact CB-CG 4.45Å; L315-Y338 HydrophobicContact CD2-CD1 3.9Å; L315-Y338 HydrophobicContact CD2-CG 4.43Å; H336-Y338 WeakPolarHBondContact ND1-CB 3.29Å; H336-Y338 PolarHBondContact ND1-N 2.99Å; H336-Y338 PolarHBondContact O-N 3.22Å; Y338-Y340 VanDerWaalsContact C-N 3.31Å; Y338-Y340 PolarHBondContact O-N 2.77Å; Y338-E341 WeakPolarHBondContact CD2-OE1 3.36Å
339F98Very high96.8Very high10 Ų1063.8 Ų63.84%0.04433%0.331CS..G310 helixtrans-82.6-7.1180-63.3-62.3000114.2M153 K154 L157 L315 A333 H336 D337M153-F339 HydrophobicContact CB-CE1 3.94Å; M153-F339 HydrophobicContact CB-CZ 3.89Å; K154-F339 HydrophobicContact CB-CD1 3.96Å; K154-F339 HydrophobicContact CB-CE1 3.75Å; K154-F339 HydrophobicContact CB-CZ 4.45Å; K154-F339 HydrophobicContact CD-CD1 4.44Å; K154-F339 HydrophobicContact CG-CD1 4.45Å; L157-F339 HydrophobicContact CD1-CE2 3.77Å; L157-F339 HydrophobicContact CD1-CZ 3.71Å; L315-F339 HydrophobicContact CD2-CE2 3.89Å; L315-F339 HydrophobicContact CD2-CZ 4.12Å; A333-F339 VanDerWaalsContact O-CE2 3.26Å; A333-F339 WeakPolarHBondContact O-CE2 3.26Å; H336-F339 PolarHBondContact O-N 3.09Å; D337-F339 PolarHBondContact O-N 3.37Å; D337-F339 VanDerWaalsContact O-N 3.1Å
340Y96Very high96.3Very high162 Ų16263.1 Ų63.164%0.63533%0.332SS*.THydrogen-bonded Turntrans-118.4-11-175.2-59.6-85.3000113.7H336 D337 Y338H336-Y340 WeakPolarHBondContact O-CD2 3.43Å; D337-Y340 CarbonylContact O-C 3.38Å; D337-Y340 WeakPolarHBondContact O-CA 3.46Å; D337-Y340 PolarHBondContact O-N 2.9Å; Y338-Y340 VanDerWaalsContact C-N 3.31Å; Y338-Y340 PolarHBondContact O-N 2.77Å
341E94.5Very high95.9Very high59 Ų5963.6 Ų63.628%0.27633%0.333SS..SBendtrans-78.5161.6170.575.1179.5-174.900112.3K150 S309 A311 D337 Y338 P343K150-E341 PolarHBondContact NZ-O 3.29Å; K150-E341 IonicContact NZ-OE1 3.14Å; S309-E341 VanDerWaalsContact CB-OE1 3.3Å; S309-E341 WeakPolarHBondContact CB-OE1 3.26Å; S309-E341 PolarHBondContact OG-OE1 2.81Å; S309-E341 PolarHBondContact OG-OE2 2.83Å; A311-E341 VanDerWaalsContact CB-OE2 3.25Å; A311-E341 WeakPolarHBondContact CB-OE2 3.22Å; D337-E341 PolarHBondContact O-N 3.33Å; Y338-E341 WeakPolarHBondContact CD2-OE1 3.36Å; E341-P343 CarbonylContact O-C 3.33Å; E341-P343 VanDerWaalsContact O-O 3.11Å
342D94.8Very high95.4Very high144 Ų14459 Ų5977%0.7732%0.315SS*.SBendtrans-73.6146.7169.5-77.1-44.4000112.3
343P95.9Very high94.7Very high52 Ų5262.9 Ų62.934%0.33833%0.33SS..SBendcis-75.3157-6.433.7-36.3000111.4E146 P147 K150 E341E146-P343 HydrophobicContact CB-CG 4.01Å; E146-P343 HydrophobicContact CG-CG 4.13Å; P147-P343 HydrophobicContact CG-CB 3.95Å; P147-P343 HydrophobicContact CG-CG 3.78Å; K150-P343 WeakPolarHBondContact CD-O 3.39Å; K150-P343 WeakPolarHBondContact CE-O 3.36Å; K150-P343 PolarHBondContact NZ-O 2.9Å; E341-P343 CarbonylContact O-C 3.33Å; E341-P343 VanDerWaalsContact O-O 3.11Å
344P95.9Very high93.8Very high87 Ų8766.5 Ų66.557%0.56536%0.355SS*.PPolyproline II helixtrans-66.1168179.428.6-36.4000112.3P147 G346P147-P344 WeakPolarHBondContact CB-O 3.26Å; P344-G346 PolarHBondContact O-N 3.44Å
345V96.6Very high93Very high52 Ų5268.2 Ų68.232%0.31538%0.38SS..PPolyproline II helixtrans-56128.8175-177.30000110.7K150 A151 K154K150-V345 HydrophobicContact CB-CG2 4.2Å; A151-V345 HydrophobicContact CB-CG1 3.7Å; K154-V345 HydrophobicContact CD-CG1 4.34Å; K154-V345 HydrophobicContact CD-CG2 3.86Å
346G94.9Very high92.3Very high29 Ų2967.5 Ų67.530%0.29937%0.373SS..  trans-90.4-163.9-176.400000114.9P147 A151 P344P147-G346 VanDerWaalsContact CB-CA 3.49Å; P147-G346 WeakPolarHBondContact O-CA 3.42Å; P147-G346 PolarHBondContact O-N 2.85Å; A151-G346 WeakPolarHBondContact CB-O 3.3Å; P344-G346 PolarHBondContact O-N 3.44Å
347D93.8Very high91.7Very high69 Ų6968.4 Ų68.437%0.36938%0.381SS..  trans-123.2122.9-174.5-1796.3000112.2R349 S350D347-R349 VanDerWaalsContact CG-NE 3.29Å; D347-R349 VanDerWaalsContact OD1-CB 3.28Å; D347-R349 WeakPolarHBondContact OD1-CB 3.43Å; D347-R349 VanDerWaalsContact OD1-CG 3.29Å; D347-R349 WeakPolarHBondContact OD1-CG 3.45Å; D347-R349 IonicContact OD1-CZ 3.07Å; D347-R349 PolarHBondContact OD1-N 2.89Å; D347-R349 IonicContact OD1-NE 3.74Å; D347-R349 PolarHBondContact OD1-NE 2.82Å; D347-R349 IonicContact OD1-NH2 3.94Å; D347-R349 IonicContact OD2-CZ 3.21Å; D347-R349 IonicContact OD2-NE 2.78Å; D347-R349 PolarHBondContact OD2-NE 2.9Å; D347-R349 IonicContact OD2-NH2 2.79Å; D347-R349 PolarHBondContact OD2-NH2 3.27Å; D347-S350 PolarHBondContact O-OG 2.88Å
348L95.9Very high91.1Very high1 Ų165 Ų651%0.00536%0.36CS..G310 helixtrans-82.4-10.2-178.2-52.4-174.5000113.4V148 A151 I152 I180 G184 L186 S350 F351V148-L348 HydrophobicContact CB-CD2 4.44Å; V148-L348 HydrophobicContact CG1-CD2 3.8Å; A151-L348 HydrophobicContact CB-CD1 4.44Å; A151-L348 HydrophobicContact CB-CD2 3.67Å; A151-L348 HydrophobicContact CB-CG 3.93Å; I152-L348 HydrophobicContact CG1-CD1 4.12Å; I152-L348 HydrophobicContact CG1-CD2 3.88Å; I180-L348 HydrophobicContact CD1-CD1 4.23Å; I180-L348 HydrophobicContact CG2-CB 4.38Å; G184-L348 WeakPolarHBondContact O-CB 3.3Å; L186-L348 HydrophobicContact CB-CD1 4.43Å; L348-S350 PolarHBondContact O-N 3.17Å; L348-F351 HydrophobicContact CB-CD2 4.18Å; L348-F351 HydrophobicContact CB-CE2 4.2Å; L348-F351 HydrophobicContact CD2-CE2 3.87Å; L348-F351 HydrophobicContact CD2-CZ 4.39Å; L348-F351 WeakPolarHBondContact O-CD2 3.16Å; L348-F351 PolarHBondContact O-N 2.83Å; L348-F351 VanDerWaalsContact O-N 3.12Å
349R93.3Very high90.4Very high146 Ų14665.4 Ų65.455%0.55136%0.362SS*.G310 helixtrans-58.6-20.7174.1-69.8176.5-63.8-174.21.3112.9N183 D347 F351 S352N183-R349 WeakPolarHBondContact O-CG 3.27Å; D347-R349 VanDerWaalsContact CG-NE 3.29Å; D347-R349 VanDerWaalsContact OD1-CB 3.28Å; D347-R349 WeakPolarHBondContact OD1-CB 3.43Å; D347-R349 VanDerWaalsContact OD1-CG 3.29Å; D347-R349 WeakPolarHBondContact OD1-CG 3.45Å; D347-R349 IonicContact OD1-CZ 3.07Å; D347-R349 PolarHBondContact OD1-N 2.89Å; D347-R349 IonicContact OD1-NE 3.74Å; D347-R349 PolarHBondContact OD1-NE 2.82Å; D347-R349 IonicContact OD1-NH2 3.94Å; D347-R349 IonicContact OD2-CZ 3.21Å; D347-R349 IonicContact OD2-NE 2.78Å; D347-R349 PolarHBondContact OD2-NE 2.9Å; D347-R349 IonicContact OD2-NH2 2.79Å; D347-R349 PolarHBondContact OD2-NH2 3.27Å; R349-F351 PolarHBondContact O-N 3.48Å; R349-S352 PolarHBondContact O-N 3.03Å
350S88.7Confident89.9Confident51 Ų5167.1 Ų67.136%0.35737%0.37SS..G310 helixtrans-56-31.5175.456.20000113.2D347 L348 S352D347-S350 PolarHBondContact O-OG 2.88Å; L348-S350 PolarHBondContact O-N 3.17Å; S350-S352 VanDerWaalsContact C-N 3.28Å; S350-S352 PolarHBondContact O-N 3.38Å
351F89.4Confident89.4Confident12 Ų1261.8 Ų61.85%0.05335%0.351CS..G310 helixtrans-66.9-27.1179.3-60.7-38.6000114L138 I142 F144 V148 I152 I180 L348 R349L138-F351 HydrophobicContact CD1-CD2 3.94Å; L138-F351 HydrophobicContact CD1-CE2 4.03Å; L138-F351 HydrophobicContact CD1-CG 4.39Å; L138-F351 HydrophobicContact CD2-CB 4.23Å; L138-F351 HydrophobicContact CD2-CD1 4.16Å; L138-F351 HydrophobicContact CD2-CD2 4.42Å; L138-F351 HydrophobicContact CD2-CG 4.04Å; I142-F351 HydrophobicContact CD1-CD1 4.08Å; I142-F351 HydrophobicContact CG2-CE1 4.31Å; F144-F351 AromaticContact CD1-CE1 3.67Å; F144-F351 HydrophobicContact CD1-CE1 3.67Å; F144-F351 AromaticContact CD1-CZ 3.58Å; F144-F351 HydrophobicContact CD1-CZ 3.58Å; F144-F351 AromaticContact CE1-CE1 3.59Å; F144-F351 HydrophobicContact CE1-CE1 3.59Å; F144-F351 HydrophobicContact CE1-CE2 4.48Å; F144-F351 AromaticContact CE1-CZ 3.44Å; F144-F351 HydrophobicContact CE1-CZ 3.44Å; F144-F351 VanDerWaalsContact CE1-CZ 3.44Å; F144-F351 HydrophobicContact CZ-CZ 4.35Å; V148-F351 HydrophobicContact CG1-CE1 3.96Å; V148-F351 HydrophobicContact CG1-CE2 4.12Å; V148-F351 HydrophobicContact CG1-CZ 3.3Å; I152-F351 HydrophobicContact CD1-CZ 4.47Å; I180-F351 HydrophobicContact CD1-CD2 4.04Å; I180-F351 HydrophobicContact CD1-CE2 3.82Å; L348-F351 HydrophobicContact CB-CD2 4.18Å; L348-F351 HydrophobicContact CB-CE2 4.2Å; L348-F351 HydrophobicContact CD2-CE2 3.87Å; L348-F351 HydrophobicContact CD2-CZ 4.39Å; L348-F351 WeakPolarHBondContact O-CD2 3.16Å; L348-F351 PolarHBondContact O-N 2.83Å; L348-F351 VanDerWaalsContact O-N 3.12Å; R349-F351 PolarHBondContact O-N 3.48Å
352S87.8Confident88.9Confident22 Ų2260.1 Ų60.115%0.15434%0.343CS..G310 helixtrans-99.3-0.3-171.6-45.90000113.5H133 K182 R349 S350 S354 G355H133-S352 PolarHBondContact NE2-OG 2.99Å; K182-S352 WeakPolarHBondContact CA-OG 3.31Å; R349-S352 PolarHBondContact O-N 3.03Å; S350-S352 VanDerWaalsContact C-N 3.28Å; S350-S352 PolarHBondContact O-N 3.38Å; S352-S354 VanDerWaalsContact C-N 3.27Å; S352-S354 PolarHBondContact O-N 3.24Å; S352-G355 PolarHBondContact O-N 3.35Å
353K83.9Confident88.2Confident180 Ų18054.7 Ų54.778%0.78332%0.316SS*.THydrogen-bonded Turntrans-59-33.6-177.6-72.2-177.6176.9179.80113.9G355K353-G355 VanDerWaalsContact C-N 3.34Å
354S80.3Confident87.2Confident76 Ų7653.5 Ų53.553%0.53131%0.31SS..THydrogen-bonded Turntrans-83.6-8.6-179.965.70000113.7S352 T356S352-S354 VanDerWaalsContact C-N 3.27Å; S352-S354 PolarHBondContact O-N 3.24Å; S354-T356 PolarHBondContact O-N 3.25Å; S354-T356 VanDerWaalsContact OG-CB 3.3Å; S354-T356 WeakPolarHBondContact OG-CB 3.48Å; S354-T356 PolarHBondContact OG-N 3.09Å; S354-T356 PolarHBondContact OG-OG1 3Å; S354-T356 VanDerWaalsContact OG-OG1 3.09Å
355G81.2Confident86Confident68 Ų6853.7 Ų53.770%0.70131%0.306SS*.  trans67.77.1-169.500000114.6S352 K353S352-G355 PolarHBondContact O-N 3.35Å; K353-G355 VanDerWaalsContact C-N 3.34Å
356T83.6Confident84.6Confident61 Ų6156.5 Ų56.537%0.37432%0.319SS..  trans-78.9132.8179.3-58.20000110.4H133 S354 Y358H133-T356 PolarHBondContact CE1-O 2.91Å; S354-T356 PolarHBondContact O-N 3.25Å; S354-T356 VanDerWaalsContact OG-CB 3.3Å; S354-T356 WeakPolarHBondContact OG-CB 3.48Å; S354-T356 PolarHBondContact OG-N 3.09Å; S354-T356 PolarHBondContact OG-OG1 3Å; S354-T356 VanDerWaalsContact OG-OG1 3.09Å; T356-Y358 HydrophobicContact CG2-CD1 4.16Å; T356-Y358 HydrophobicContact CG2-CE1 3.66Å; T356-Y358 HydrophobicContact CG2-CE2 4.07Å
357S84.6Confident83.1Confident36 Ų3657.4 Ų57.425%0.25232%0.323SS..  trans-89.8126.2173177.60000109.7D132 L359D132-S357 CarbonylContact O-C 3.55Å; D132-S357 VanDerWaalsContact O-CA 3.25Å; D132-S357 WeakPolarHBondContact O-CA 3.42Å; D132-S357 WeakPolarHBondContact O-CB 3.42Å; D132-S357 PolarHBondContact O-OG 3.22Å; S357-L359 WeakPolarHBondContact OG-CG 3.33Å
358Y85.3Confident81.3Confident47 Ų4760.8 Ų60.818%0.18433%0.331CS..BIsolated β-bridgetrans-110.873.1-176.9-64.7-71.6000109.3D132 H133 D134 L138 Q141 I142 T356D132-Y358 PolarHBondContact O-N 2.94Å; D132-Y358 VanDerWaalsContact O-N 3.17Å; H133-Y358 WeakPolarHBondContact CA-O 2.88Å; H133-Y358 AromaticContact CE1-CD2 3.63Å; H133-Y358 AromaticContact ND1-CD2 3.38Å; H133-Y358 WeakPolarHBondContact ND1-CD2 3.39Å; H133-Y358 AromaticContact ND1-CG 3.95Å; H133-Y358 PolarHBondContact ND1-N 2.89Å; D134-Y358 PolarHBondContact N-O 3.35Å; D134-Y358 VanDerWaalsContact N-O 3.11Å; L138-Y358 HydrophobicContact CD2-CD2 3.57Å; L138-Y358 HydrophobicContact CD2-CG 3.83Å; Q141-Y358 HydrophobicContact CB-CD1 4.08Å; Q141-Y358 HydrophobicContact CB-CE1 4.19Å; Q141-Y358 HydrophobicContact CG-CD1 4.14Å; I142-Y358 HydrophobicContact CD1-CD2 4.12Å; I142-Y358 HydrophobicContact CD1-CE2 3.81Å; T356-Y358 HydrophobicContact CG2-CD1 4.16Å; T356-Y358 HydrophobicContact CG2-CE1 3.66Å; T356-Y358 HydrophobicContact CG2-CE2 4.07Å
359L85.1Confident79.2Confident9 Ų962.2 Ų62.25%0.04735%0.346CS..  trans-103.8132.4177.4-61.6172.2000110.7I50 D134 S357 F361 L362 S363I50-L359 HydrophobicContact CB-CD1 3.85Å; I50-L359 HydrophobicContact CG2-CD1 4.1Å; D134-L359 HydrophobicContact CB-CD2 4.21Å; D134-L359 WeakPolarHBondContact OD2-CA 2.89Å; D134-L359 WeakPolarHBondContact OD2-CD2 3.44Å; S357-L359 WeakPolarHBondContact OG-CG 3.33Å; L359-F361 PolarHBondContact O-N 2.87Å; L359-L362 HydrophobicContact CB-CB 4.48Å; L359-L362 HydrophobicContact CB-CD1 4.12Å; L359-L362 HydrophobicContact CB-CG 4.06Å; L359-L362 HydrophobicContact CD1-CD1 4.1Å; L359-L362 HydrophobicContact CG-CD1 4.46Å; L359-L362 PolarHBondContact O-N 3.3Å; L359-S363 PolarHBondContact O-N 3.45Å; L359-S363 PolarHBondContact O-OG 3.42Å
360E86.6Confident77.2Confident46 Ų4665 Ų6522%0.21536%0.356CS..Hα-helixtrans-52.9-42.9-177.8-177.7-170.3-154.300111.4D134 A136 L362 S363 S364D134-E360 PolarHBondContact OD1-N 3.36Å; D134-E360 PolarHBondContact OD2-N 3.25Å; A136-E360 HydrophobicContact CB-CB 4.21Å; A136-E360 HydrophobicContact CB-CG 4.4Å; E360-L362 VanDerWaalsContact C-N 3.3Å; E360-L362 PolarHBondContact O-N 2.92Å; E360-S363 PolarHBondContact O-N 3.3Å; E360-S364 PolarHBondContact O-N 3.08Å; E360-S364 PolarHBondContact O-OG 3.3Å
361F85.2Confident75.1Confident51 Ų5168.9 Ų68.922%0.22437%0.371CS..Hα-helixtrans-60.4-39.4-179.8-176.1-96.1000112.5K49 I50 Q52 L359 N365K49-F361 HydrophobicContact CB-CE1 4.33Å; K49-F361 HydrophobicContact CD-CE1 4.3Å; K49-F361 HydrophobicContact CD-CZ 3.97Å; K49-F361 HydrophobicContact CG-CE1 3.89Å; K49-F361 HydrophobicContact CG-CZ 4.01Å; K49-F361 WeakPolarHBondContact O-CE1 3.35Å; I50-F361 WeakPolarHBondContact O-CB 3.21Å; Q52-F361 HydrophobicContact CB-CD2 4.38Å; Q52-F361 HydrophobicContact CB-CE2 3.82Å; L359-F361 PolarHBondContact O-N 2.87Å; F361-N365 WeakPolarHBondContact O-CB 3.4Å; F361-N365 PolarHBondContact O-N 3.42Å; F361-N365 VanDerWaalsContact O-N 3.15Å
362L84.1Confident72.9Confident24 Ų2474.4 Ų74.413%0.12640%0.4CS..Hα-helixtrans-70.4-40.7179.4-62.5-178.3000110.9L359 E360 N365 N366L359-L362 HydrophobicContact CB-CB 4.48Å; L359-L362 HydrophobicContact CB-CD1 4.12Å; L359-L362 HydrophobicContact CB-CG 4.06Å; L359-L362 HydrophobicContact CD1-CD1 4.1Å; L359-L362 HydrophobicContact CG-CD1 4.46Å; L359-L362 PolarHBondContact O-N 3.3Å; E360-L362 VanDerWaalsContact C-N 3.3Å; E360-L362 PolarHBondContact O-N 2.92Å; L362-N365 PolarHBondContact O-N 3.37Å; L362-N366 WeakPolarHBondContact O-CB 2.92Å; L362-N366 VanDerWaalsContact O-CG 3.27Å; L362-N366 PolarHBondContact O-N 3.12Å; L362-N366 PolarHBondContact O-ND2 3.47Å
363S79.8Confident70.9Confident29 Ų2980.8 Ų80.820%0.20343%0.428CS..Hα-helixtrans-61.6-48.5176.5-61.20000112.1L359 E360 N365 N366 A367L359-S363 PolarHBondContact O-N 3.45Å; L359-S363 PolarHBondContact O-OG 3.42Å; E360-S363 PolarHBondContact O-N 3.3Å; S363-N365 VanDerWaalsContact C-N 3.35Å; S363-N365 PolarHBondContact O-N 2.79Å; S363-N366 PolarHBondContact O-N 3.13Å; S363-A367 PolarHBondContact O-N 2.69Å; S363-A367 VanDerWaalsContact O-N 3.09Å
364S75.4Confident68.9Low28 Ų2874.8 Ų74.820%0.19642%0.416CS..Hα-helixtrans-65.2-35.8179.4-71.40000113.2E360 R368E360-S364 PolarHBondContact O-N 3.08Å; E360-S364 PolarHBondContact O-OG 3.3Å; S364-R368 PolarHBondContact O-N 3.12Å
365N71.2Confident67.3Low90 Ų9075 Ų7548%0.48142%0.423SS..Hα-helixtrans-74.7-37.8179.6-153.922.7000112.2F361 L362 S363 A367 R368 G369F361-N365 WeakPolarHBondContact O-CB 3.4Å; F361-N365 PolarHBondContact O-N 3.42Å; F361-N365 VanDerWaalsContact O-N 3.15Å; L362-N365 PolarHBondContact O-N 3.37Å; S363-N365 VanDerWaalsContact C-N 3.35Å; S363-N365 PolarHBondContact O-N 2.79Å; N365-A367 VanDerWaalsContact C-N 3.33Å; N365-A367 PolarHBondContact O-N 3.13Å; N365-R368 PolarHBondContact O-N 2.82Å; N365-G369 PolarHBondContact O-N 2.97Å
366N67.2Low65.3Low112 Ų11278.7 Ų78.760%0.59943%0.427SS*.Hα-helixtrans-63.2-39.2173.7-75.8-20.9000112L362 S363 G369 R370L362-N366 WeakPolarHBondContact O-CB 2.92Å; L362-N366 VanDerWaalsContact O-CG 3.27Å; L362-N366 PolarHBondContact O-N 3.12Å; L362-N366 PolarHBondContact O-ND2 3.47Å; S363-N366 PolarHBondContact O-N 3.13Å; N366-G369 PolarHBondContact O-N 3.06Å; N366-R370 PolarHBondContact O-N 3.31Å; N366-R370 VanDerWaalsContact O-N 3.12Å
367A61.9Low62.9Low47 Ų4786.1 Ų86.139%0.38845%0.448SS..Hα-helixtrans-62.2-42175.300000112.1S363 N365 R370 M371S363-A367 PolarHBondContact O-N 2.69Å; S363-A367 VanDerWaalsContact O-N 3.09Å; N365-A367 VanDerWaalsContact C-N 3.33Å; N365-A367 PolarHBondContact O-N 3.13Å; A367-R370 PolarHBondContact O-N 3Å; A367-M371 PolarHBondContact O-N 3.44Å; A367-M371 VanDerWaalsContact O-N 3.16Å
368R57.6Low60.4Low141 Ų14190.5 Ų90.553%0.53248%0.475SS..Hα-helixtrans-63.6-42.8174.8-76.7177.4167.3178.6-7.4112.6S364 N365 R370 M371 L372 P403S364-R368 PolarHBondContact O-N 3.12Å; N365-R368 PolarHBondContact O-N 2.82Å; R368-R370 VanDerWaalsContact C-N 3.34Å; R368-R370 PolarHBondContact O-N 3.29Å; R368-M371 PolarHBondContact O-N 3.47Å; R368-L372 PolarHBondContact O-N 2.67Å; R368-L372 VanDerWaalsContact O-N 3.09Å; R368-P403 VanDerWaalsContact NH2-CB 3.29Å
369G50.3Low58.1Low31 Ų3191.5 Ų91.532%0.3250%0.5SS..Hα-helixtrans-60.1-40.8177.100000113N365 N366 L372 Q373N365-G369 PolarHBondContact O-N 2.97Å; N366-G369 PolarHBondContact O-N 3.06Å; G369-L372 PolarHBondContact O-N 2.8Å; G369-Q373 WeakPolarHBondContact O-CG 3.29Å; G369-Q373 PolarHBondContact O-N 3.02Å; G369-Q373 VanDerWaalsContact O-N 3.15Å
370R51.2Low55.5Low203 Ų20398.9 Ų98.977%0.76654%0.538SS*.Hα-helixtrans-67.6-38.6176-72.4-175.8-176.2176.12.4112.9N366 A367 R368 Q373 G374N366-R370 PolarHBondContact O-N 3.31Å; N366-R370 VanDerWaalsContact O-N 3.12Å; A367-R370 PolarHBondContact O-N 3Å; R368-R370 VanDerWaalsContact C-N 3.34Å; R368-R370 PolarHBondContact O-N 3.29Å; R370-Q373 PolarHBondContact O-N 3.28Å; R370-G374 PolarHBondContact O-N 3Å
371M44.5Very low53.1Low134 Ų134103.1 Ų103.166%0.6657%0.567SS**Hα-helixtrans-64.2-41.1176.2-77.5-170.5167.100112.2A367 R368 Q373 G374 A375A367-M371 PolarHBondContact O-N 3.44Å; A367-M371 VanDerWaalsContact O-N 3.16Å; R368-M371 PolarHBondContact O-N 3.47Å; M371-Q373 VanDerWaalsContact C-N 3.34Å; M371-Q373 PolarHBondContact O-N 3.12Å; M371-G374 PolarHBondContact O-N 3.35Å; M371-A375 PolarHBondContact O-N 3.03Å; M371-A375 VanDerWaalsContact O-N 3.11Å
372L44.8Very low50.6Low128 Ų128112.3 Ų112.367%0.6760%0.6SS**Hα-helixtrans-67.8-32.7177.7-71165.1000112.7R368 G369R368-L372 PolarHBondContact O-N 2.67Å; R368-L372 VanDerWaalsContact O-N 3.09Å; G369-L372 PolarHBondContact O-N 2.8Å
373Q45.2Very low48.2Very low156 Ų156114.5 Ų114.573%0.72963%0.629SS**Hα-helixtrans-75.9-29.5173.9-71.8-179.817.400113.1G369 R370 M371G369-Q373 WeakPolarHBondContact O-CG 3.29Å; G369-Q373 PolarHBondContact O-N 3.02Å; G369-Q373 VanDerWaalsContact O-N 3.15Å; R370-Q373 PolarHBondContact O-N 3.28Å; M371-Q373 VanDerWaalsContact C-N 3.34Å; M371-Q373 PolarHBondContact O-N 3.12Å
374G42.5Very low45.9Very low53 Ų53119.5 Ų119.555%0.54666%0.66SS.*Hα-helixtrans-71.6-29.7173.800000113.8R370 M371 N376R370-G374 PolarHBondContact O-N 3Å; M371-G374 PolarHBondContact O-N 3.35Å; G374-N376 VanDerWaalsContact C-N 3.29Å; G374-N376 PolarHBondContact O-N 3.35Å
375A45.3Very low43.8Very low81 Ų81124.8 Ų124.867%0.66969%0.691SS**THydrogen-bonded Turntrans-76.5-10.5178.700000114.3M371M371-A375 PolarHBondContact O-N 3.03Å; M371-A375 VanDerWaalsContact O-N 3.11Å
376N39.5Very low42.1Very low146 Ų146127.5 Ų127.578%0.78171%0.711SS**THydrogen-bonded Turntrans-102.416.2-177.8-1075.9000114.4G374G374-N376 VanDerWaalsContact C-N 3.29Å; G374-N376 PolarHBondContact O-N 3.35Å
377R33.6Very low40.6Very low216 Ų216125.2 Ų125.282%0.81571%0.713SS**SBendtrans-93.8118.7168.1-78.7-172.4172.6-170.3-1.8109.9G379R377-G379 PolarHBondContact O-N 2.97Å
378P31.5Very low39.1Very low128 Ų128129.6 Ų129.683%0.83174%0.738SS**  trans-71.495.9175.627.5-29.1000109.2I380P378-I380 PolarHBondContact O-N 2.93Å
379G37.1Very low37.9Very low68 Ų68126.4 Ų126.470%0.70175%0.748SS**  trans-77.1108.9169.300000109.8R377 V381R377-G379 PolarHBondContact O-N 2.97Å; G379-V381 PolarHBondContact O-N 3.44Å; G379-V381 VanDerWaalsContact O-N 3.13Å
380I30.8Very low37Very low164 Ų164134.6 Ų134.684%0.84178%0.779SS**  trans-61.6107.3173.4-63.2166.7000108.6P378P378-I380 PolarHBondContact O-N 2.93Å
381V36.5Very low35.8Very low135 Ų135134.1 Ų134.182%0.81879%0.785SS**  trans-136119.9165.2-172.80000109G379G379-V381 PolarHBondContact O-N 3.44Å; G379-V381 VanDerWaalsContact O-N 3.13Å
382R31.8Very low35.2Very low244 Ų244135.6 Ų135.692%0.92179%0.792SS**  trans-80.4134.3176.6-73.6177.8168.5-176.9-3.6110.4
383G34.2Very low34.3Very low71 Ų71136.5 Ų136.573%0.73280%0.798SS**  trans159.4147.6163.600000113.6
384P32.1Very low33.6Very low134 Ų134139.1 Ų139.187%0.8780%0.803SS**  -105169.6-129.237.8-33.2000117.9
385V30.1Very low33Very low138 Ų138145.2 Ų145.284%0.83682%0.821SS**  trans-57.4133.9-174.4179.70000116
386V37.1Very low32.2Very low148 Ų148149.2 Ų149.290%0.89783%0.832SS**  trans-151.2116.4146.9-173.10000112.3
387G34.8Very low31.6Very low63 Ų63145.3 Ų145.365%0.64983%0.826SS**  trans66.2124.9131.700000123.1
388P30Very low31.5Very low140 Ų140141.4 Ų141.491%0.90983%0.829SS**  trans-92.6141.3-179.636.3-30000113.2
389G32Very low31.5Very low73 Ų73138.3 Ų138.375%0.75382%0.82SS**  trans-167110.1175.800000115.1
390Q33Very low31.3Very low204 Ų204141.4 Ų141.495%0.95382%0.819SS**  trans79.8118.1150.1-67.2177.6-0.600121.3
391Q25.8Very low31.3Very low192 Ų192141.9 Ų141.990%0.89782%0.82SS**  trans-64.4143.5164.6-71.6166.4-11.900112
392M30.4Very low31.5Very low165 Ų165141.7 Ų141.781%0.81381%0.81SS**  trans-150.2124.1149.7-103.6-70.5-155.200110
393N26.7Very low31.5Very low148 Ų148133.1 Ų133.179%0.79179%0.786SS**  trans-68.6137.4176.6-77.6-35.2000111.5
394Y30.2Very low32Very low211 Ų211132.6 Ų132.683%0.82777%0.767SS**  trans-135.3121.3153.2-77.2-78000110.8
395L30.1Very low32.5Very low180 Ų180136.6 Ų136.694%0.94276%0.764SS**  trans-67.7132174.8-87137.2000111
396N28.2Very low33Very low165 Ų165139.8 Ų139.888%0.88276%0.761SS**  trans-74.8136.1176.5-83.6-40.5000112.7
397G28Very low33Very low65 Ų65138.9 Ų138.967%0.6775%0.751SS**  trans-124133152.300000109.1G399G397-G399 PolarHBondContact O-N 3.09Å
398P31.8Very low33.2Very low133 Ų133141.1 Ų141.186%0.86475%0.754SS**  trans-86.5101.6-169.532.7-30.3000111.2
399G30.3Very low33.8Very low64 Ų64138.3 Ų138.366%0.6673%0.73SS**  trans-74.8127.4159.100000110G397 M401G397-G399 PolarHBondContact O-N 3.09Å; G399-M401 PolarHBondContact O-N 3.43Å
400I32.8Very low33.9Very low132 Ų132137.9 Ų137.968%0.67771%0.714SS**  trans-68.394.1177.9-59.9175.2000108.2H402I400-H402 PolarHBondContact O-N 3.49Å
401M30.6Very low34.8Very low175 Ų175135.1 Ų135.186%0.86271%0.706SS**  trans-76.3112.4172.4-76.2-160.9167.800110.2G399G399-M401 PolarHBondContact O-N 3.43Å
402H40.6Very low36.2Very low130 Ų130129.7 Ų129.760%0.60268%0.684SS**  trans-61.7126.9157-82.5-83.2000108.8I400 N404I400-H402 PolarHBondContact O-N 3.49Å; H402-N404 VanDerWaalsContact C-N 3.3Å; H402-N404 PolarHBondContact O-N 3.27Å
403P32.5Very low37.4Very low64 Ų64128.1 Ų128.142%0.41668%0.678SS.*  trans-87.27417835.9-31.2000109.7R368R368-P403 VanDerWaalsContact NH2-CB 3.29Å
404N46Very low39.1Very low61 Ų61122.3 Ų122.333%0.32665%0.65SS.*  trans-110.8125.6158.7-84.1-25000107.5W217 H402 R406W217-N404 HydrophobicContact CH2-CB 4.17Å; H402-N404 VanDerWaalsContact C-N 3.3Å; H402-N404 PolarHBondContact O-N 3.27Å; N404-R406 PolarHBondContact O-N 3.3Å
405R40.9Very low41.1Very low217 Ų217112.6 Ų112.682%0.81961%0.611SS**  trans-45.8107.9-176-75.8-178.7-173.5-176.52.7110.1L407R405-L407 PolarHBondContact O-N 3.11Å; R405-L407 VanDerWaalsContact O-N 3.1Å
406R40.3Very low43.3Very low206 Ų206104.4 Ų104.478%0.77757%0.568SS**  trans-73.698.3161.9-75.9-169-175.4-148.50.2107.5N404N404-R406 PolarHBondContact O-N 3.3Å
407L37.6Very low45.3Very low129 Ų129103.8 Ų103.868%0.67556%0.56SS**  trans-75.8139.8145.5-74.3165.2000106.3R405 L409R405-L407 PolarHBondContact O-N 3.11Å; R405-L407 VanDerWaalsContact O-N 3.1Å; L407-L409 PolarHBondContact O-N 3.16Å
408P38.6Very low47.4Very low109 Ų109105.8 Ų105.871%0.70855%0.547SS*.  trans-50.6136.5174.2-20.830.5000109.6P410 R418P408-P410 VanDerWaalsContact O-CD 3.27Å; P408-P410 WeakPolarHBondContact O-CD 3.38Å; P408-R418 PolarHBondContact O-NH1 3.48Å
409L42.7Very low49.2Very low81 Ų8199.7 Ų99.742%0.42451%0.507SS..  trans-75.2113.1165.8-65.9173.3000106.5L407 Y415L407-L409 PolarHBondContact O-N 3.16Å; L409-Y415 HydrophobicContact CD2-CD2 3.23Å; L409-Y415 HydrophobicContact CD2-CE2 3.65Å; L409-Y415 HydrophobicContact CD2-CG 4.12Å
410P35.4Very low51.5Low64 Ų6498.3 Ų98.342%0.41648%0.483SS..  trans-73.9168.7165.212.46.6000108.1P408 S414P408-P410 VanDerWaalsContact O-CD 3.27Å; P408-P410 WeakPolarHBondContact O-CD 3.38Å; P410-S414 WeakPolarHBondContact CA-OG 3.35Å; P410-S414 WeakPolarHBondContact CB-OG 3.49Å; P410-S414 VanDerWaalsContact CD-OG 3.28Å; P410-S414 WeakPolarHBondContact CD-OG 3.16Å; P410-S414 WeakPolarHBondContact CG-OG 3.48Å; P410-S414 PolarHBondContact O-OG 3.5Å; P410-S414 VanDerWaalsContact O-OG 3.07Å
411D51.9Low52.4Low147 Ų14796.7 Ų96.779%0.78647%0.474SS*.SBendtrans-41.6145.8-176.4-64.3-37.4000113N413 S414D411-N413 PolarHBondContact O-N 3.31Å; D411-S414 WeakPolarHBondContact O-CB 3.31Å; D411-S414 PolarHBondContact O-N 3.33Å; D411-S414 PolarHBondContact O-OG 3.48Å
412D54.9Low53.6Low78 Ų7892.5 Ų92.542%0.41745%0.453SS..Hα-helixtrans-38.6-38-165.8-88-26.7000115.6N267 S414 Y415 Y416N267-D412 PolarHBondContact ND2-OD2 3.39Å; D412-S414 PolarHBondContact O-N 3.02Å; D412-Y415 PolarHBondContact O-N 3.12Å; D412-Y416 WeakPolarHBondContact O-CD2 3.4Å
413N56.5Low54.3Low131 Ų13190.4 Ų90.470%0.70145%0.445SS*.Hα-helixtrans-61.1-43.5177.1-82.1-6.8000113.7D411 Y415 Y416 E417D411-N413 PolarHBondContact O-N 3.31Å; N413-Y415 VanDerWaalsContact C-N 3.31Å; N413-Y415 PolarHBondContact O-N 3.15Å; N413-Y416 PolarHBondContact O-N 3.43Å; N413-E417 PolarHBondContact O-N 2.99Å
414S61.4Low55.6Low27 Ų2792 Ų9219%0.18945%0.447CS..Hα-helixtrans-71.9-22.7-178.470.50000113.7P410 D411 D412 R418P410-S414 WeakPolarHBondContact CA-OG 3.35Å; P410-S414 WeakPolarHBondContact CB-OG 3.49Å; P410-S414 VanDerWaalsContact CD-OG 3.28Å; P410-S414 WeakPolarHBondContact CD-OG 3.16Å; P410-S414 WeakPolarHBondContact CG-OG 3.48Å; P410-S414 PolarHBondContact O-OG 3.5Å; P410-S414 VanDerWaalsContact O-OG 3.07Å; D411-S414 WeakPolarHBondContact O-CB 3.31Å; D411-S414 PolarHBondContact O-N 3.33Å; D411-S414 PolarHBondContact O-OG 3.48Å; D412-S414 PolarHBondContact O-N 3.02Å; S414-R418 WeakPolarHBondContact O-CG 3.29Å; S414-R418 PolarHBondContact O-N 3.47Å; S414-R418 PolarHBondContact O-NE 3.06Å
415Y72.6Confident56.2Low6 Ų693.9 Ų93.92%0.02445%0.454CS..Hα-helixtrans-67.2-49174.7172.6-108.4000109.9P251 I252 M253 Q254 L264 L409 D412 N413 E417 R418 V419P251-Y415 PolarHBondContact O-OH 3.38Å; I252-Y415 VanDerWaalsContact C-OH 3.28Å; I252-Y415 PolarHBondContact O-OH 3.49Å; M253-Y415 WeakPolarHBondContact CA-OH 3.34Å; M253-Y415 PolarHBondContact N-OH 2.86Å; Q254-Y415 HydrophobicContact CB-CE2 4.19Å; Q254-Y415 WeakPolarHBondContact CB-OH 3.45Å; Q254-Y415 WeakPolarHBondContact CG-OH 3.39Å; Q254-Y415 PolarHBondContact N-OH 3.43Å; L264-Y415 HydrophobicContact CD1-CE1 4.42Å; L264-Y415 HydrophobicContact CD2-CD1 3.71Å; L264-Y415 HydrophobicContact CD2-CE1 3.91Å; L409-Y415 HydrophobicContact CD2-CD2 3.23Å; L409-Y415 HydrophobicContact CD2-CE2 3.65Å; L409-Y415 HydrophobicContact CD2-CG 4.12Å; D412-Y415 PolarHBondContact O-N 3.12Å; N413-Y415 VanDerWaalsContact C-N 3.31Å; N413-Y415 PolarHBondContact O-N 3.15Å; Y415-E417 VanDerWaalsContact C-N 3.31Å; Y415-E417 PolarHBondContact O-N 3.15Å; Y415-R418 WeakPolarHBondContact O-CB 3.49Å; Y415-R418 PolarHBondContact O-N 3.15Å; Y415-V419 HydrophobicContact CD2-CG2 4.17Å; Y415-V419 HydrophobicContact CE1-CG2 4Å; Y415-V419 HydrophobicContact CE2-CG2 3.65Å; Y415-V419 PolarHBondContact O-N 3.38Å; Y415-V419 VanDerWaalsContact O-N 3.12Å
416Y76.7Confident57.2Low8 Ų885.7 Ų85.73%0.03143%0.43CS..Hα-helixtrans-69.1-28.5-179.7-65.9-63.7000113L264 N267 L268 K302 D412 N413 R418 V419 F420L264-Y416 WeakPolarHBondContact CA-OH 3.39Å; L264-Y416 PolarHBondContact O-OH 3.37Å; N267-Y416 HydrophobicContact CB-CE2 3.74Å; N267-Y416 WeakPolarHBondContact CB-OH 3.46Å; L268-Y416 HydrophobicContact CB-CE1 4.29Å; K302-Y416 HydrophobicContact CD-CD1 4.24Å; K302-Y416 HydrophobicContact CD-CG 4.34Å; D412-Y416 WeakPolarHBondContact O-CD2 3.4Å; N413-Y416 PolarHBondContact O-N 3.43Å; Y416-R418 PolarHBondContact O-N 3.15Å; Y416-V419 PolarHBondContact O-N 3.43Å; Y416-F420 AromaticContact CD1-CD2 3.57Å; Y416-F420 HydrophobicContact CD1-CD2 3.57Å; Y416-F420 AromaticContact CD1-CE2 3.56Å; Y416-F420 HydrophobicContact CD1-CE2 3.56Å; Y416-F420 HydrophobicContact CE1-CD2 4.44Å; Y416-F420 AromaticContact CE1-CE2 3.99Å; Y416-F420 HydrophobicContact CE1-CE2 3.99Å; Y416-F420 HydrophobicContact CG-CD2 4.32Å; Y416-F420 CarbonylContact O-C 3.56Å; Y416-F420 VanDerWaalsContact O-CA 3.29Å; Y416-F420 WeakPolarHBondContact O-CA 3.23Å; Y416-F420 WeakPolarHBondContact O-CB 3.41Å; Y416-F420 PolarHBondContact O-N 2.99Å
417E70Confident58.4Low152 Ų15277.1 Ų77.171%0.7141%0.405SS*.Hα-helixtrans-66.3-22.9170.6-71.7176.1175.300113.3N413 Y415N413-E417 PolarHBondContact O-N 2.99Å; Y415-E417 VanDerWaalsContact C-N 3.31Å; Y415-E417 PolarHBondContact O-N 3.15Å
418R70.7Confident60Low108 Ų10873.2 Ų73.241%0.40838%0.384SS..Hα-helixtrans-85.4-31175.1-71.4-178.9-64.5162.615.7112.5P408 S414 Y415 Y416P408-R418 PolarHBondContact O-NH1 3.48Å; S414-R418 WeakPolarHBondContact O-CG 3.29Å; S414-R418 PolarHBondContact O-N 3.47Å; S414-R418 PolarHBondContact O-NE 3.06Å; Y415-R418 WeakPolarHBondContact O-CB 3.49Å; Y415-R418 PolarHBondContact O-N 3.15Å; Y416-R418 PolarHBondContact O-N 3.15Å
419V71.2Confident61.8Low5 Ų570.2 Ų70.23%0.0336%0.357CS..Hα-helixtrans-93.3-47.9-176.3172.80000112.3T248 I252 K306 Y415 Y416T248-V419 WeakPolarHBondContact CB-O 3.29Å; T248-V419 HydrophobicContact CG2-CG1 4.21Å; T248-V419 WeakPolarHBondContact CG2-O 3.39Å; I252-V419 HydrophobicContact CB-CG1 4.19Å; I252-V419 HydrophobicContact CG2-CG1 4.07Å; K306-V419 PolarHBondContact NZ-O 3.13Å; Y415-V419 HydrophobicContact CD2-CG2 4.17Å; Y415-V419 HydrophobicContact CE1-CG2 4Å; Y415-V419 HydrophobicContact CE2-CG2 3.65Å; Y415-V419 PolarHBondContact O-N 3.38Å; Y415-V419 VanDerWaalsContact O-N 3.12Å; Y416-V419 PolarHBondContact O-N 3.43Å
420F77.4Confident63.5Low35 Ų3569.2 Ų69.215%0.15435%0.351CS..  trans-102.50174.4-58-68.3000111.2T248 I252 L268 K302 L303 K306 Y416T248-F420 HydrophobicContact CG2-CD1 3.92Å; T248-F420 HydrophobicContact CG2-CE1 3.84Å; I252-F420 HydrophobicContact CB-CZ 4.02Å; I252-F420 HydrophobicContact CG2-CE1 4.2Å; I252-F420 HydrophobicContact CG2-CZ 4.05Å; L268-F420 HydrophobicContact CD1-CE2 3.82Å; L268-F420 HydrophobicContact CD1-CZ 3.94Å; L268-F420 HydrophobicContact CD2-CE2 4.24Å; L268-F420 HydrophobicContact CD2-CZ 4.01Å; K302-F420 HydrophobicContact CB-CB 3.92Å; K302-F420 HydrophobicContact CB-CD1 3.97Å; K302-F420 HydrophobicContact CB-CD2 3.89Å; K302-F420 HydrophobicContact CB-CE1 4.48Å; K302-F420 HydrophobicContact CB-CE2 4.39Å; K302-F420 HydrophobicContact CB-CG 3.65Å; K302-F420 HydrophobicContact CD-CD2 3.7Å; K302-F420 HydrophobicContact CD-CE2 4.05Å; K302-F420 HydrophobicContact CD-CG 4.3Å; K302-F420 HydrophobicContact CG-CB 4.4Å; K302-F420 HydrophobicContact CG-CD2 4.23Å; K302-F420 HydrophobicContact CG-CG 4.34Å; L303-F420 HydrophobicContact CD2-CD1 3.9Å; L303-F420 HydrophobicContact CD2-CE1 3.45Å; L303-F420 VanDerWaalsContact CD2-CE1 3.45Å; L303-F420 HydrophobicContact CG-CD1 4.49Å; L303-F420 HydrophobicContact CG-CE1 4.08Å; K306-F420 WeakPolarHBondContact CE-O 3.31Å; K306-F420 WeakPolarHBondContact CE-OXT 3.46Å; K306-F420 PolarHBondContact NZ-O 3.41Å; K306-F420 PolarHBondContact NZ-OXT 2.92Å; Y416-F420 AromaticContact CD1-CD2 3.57Å; Y416-F420 HydrophobicContact CD1-CD2 3.57Å; Y416-F420 AromaticContact CD1-CE2 3.56Å; Y416-F420 HydrophobicContact CD1-CE2 3.56Å; Y416-F420 HydrophobicContact CE1-CD2 4.44Å; Y416-F420 AromaticContact CE1-CE2 3.99Å; Y416-F420 HydrophobicContact CE1-CE2 3.99Å; Y416-F420 HydrophobicContact CG-CD2 4.32Å; Y416-F420 CarbonylContact O-C 3.56Å; Y416-F420 VanDerWaalsContact O-CA 3.29Å; Y416-F420 WeakPolarHBondContact O-CA 3.23Å; Y416-F420 WeakPolarHBondContact O-CB 3.41Å; Y416-F420 PolarHBondContact O-N 2.99Å

Retrieved 420 of 420 residues in 86.6 ms (Link to these results)

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