A0A077ZGG5_TRITR Loading...

F box:lrr repeat protein

AlphaFold DB , UniProt , Accession A0A077ZGG5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 494 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
1M43.2Very low53.8Low250 Ų250115.4 Ų115.4100%1.23254%0.535SS*.  0137.60-66.3-170.6-160.200108
2L42.3Very low54.6Low90 Ų90110.6 Ų110.647%0.47153%0.53SS..  trans-73.2137.6174.3-73164.6000109.2A6 L10L2-A6 HydrophobicContact CB-CB 4.11Å; L2-A6 HydrophobicContact CD2-CB 4.06Å; L2-L10 HydrophobicContact CD1-CD1 4.12Å
3D58.2Low54.9Low103 Ų103104.4 Ų104.455%0.55150%0.501SS*.  trans-68.6167.9178.268.740.6000112.5A5 A6 I7D3-A5 PolarHBondContact O-N 3Å; D3-A5 WeakPolarHBondContact OD1-CA 3.22Å; D3-A5 VanDerWaalsContact OD1-CB 3.31Å; D3-A5 WeakPolarHBondContact OD1-CB 3.49Å; D3-A5 PolarHBondContact OD1-N 2.98Å; D3-A6 PolarHBondContact O-N 2.65Å; D3-A6 PolarHBondContact OD1-N 2.64Å; D3-I7 PolarHBondContact O-N 2.99Å
4K60.9Low55.4Low173 Ų17396.9 Ų96.975%0.75247%0.466SS*.Hα-helixtrans-58.7-30.6178.6-78.9-176.7178.2176.80112.9R8K4-R8 PolarHBondContact O-N 2.77Å
5A57.2Low55.9Low49 Ų4996.7 Ų96.741%0.40547%0.468SS..Hα-helixtrans-72.6-41.2-178.900000111.4D3 I7 R8 R9D3-A5 PolarHBondContact O-N 3Å; D3-A5 WeakPolarHBondContact OD1-CA 3.22Å; D3-A5 VanDerWaalsContact OD1-CB 3.31Å; D3-A5 WeakPolarHBondContact OD1-CB 3.49Å; D3-A5 PolarHBondContact OD1-N 2.98Å; A5-I7 VanDerWaalsContact C-N 3.34Å; A5-I7 PolarHBondContact O-N 2.92Å; A5-R8 PolarHBondContact O-N 3.08Å; A5-R9 PolarHBondContact O-N 2.76Å; A5-R9 VanDerWaalsContact O-N 3.08Å
6A49.8Very low56.3Low21 Ų2195.4 Ų95.417%0.17446%0.457CS..Hα-helixtrans-60.6-43.1173.400000111.3L2 D3 R8 R9 L10L2-A6 HydrophobicContact CB-CB 4.11Å; L2-A6 HydrophobicContact CD2-CB 4.06Å; D3-A6 PolarHBondContact O-N 2.65Å; D3-A6 PolarHBondContact OD1-N 2.64Å; A6-R8 VanDerWaalsContact C-N 3.34Å; A6-R8 PolarHBondContact O-N 2.6Å; A6-R9 PolarHBondContact O-N 2.98Å; A6-L10 WeakPolarHBondContact O-CG 3.49Å; A6-L10 PolarHBondContact O-N 2.74Å
7I51.1Low56.5Low49 Ų4990.6 Ų90.625%0.25144%0.435SS..Hα-helixtrans-60.2-42.6175.9-65.6170.9000111.4D3 A5 R9 L10 R11D3-I7 PolarHBondContact O-N 2.99Å; A5-I7 VanDerWaalsContact C-N 3.34Å; A5-I7 PolarHBondContact O-N 2.92Å; I7-R9 PolarHBondContact O-N 2.75Å; I7-L10 PolarHBondContact O-N 3.07Å; I7-R11 PolarHBondContact O-N 3.07Å
8R58.6Low56.7Low185 Ų18587.3 Ų87.370%0.69842%0.42SS*.Hα-helixtrans-61.7-42.1176.1-73.6-178.5-166.6156.81.7112.1K4 A5 A6 R11 A12K4-R8 PolarHBondContact O-N 2.77Å; A5-R8 PolarHBondContact O-N 3.08Å; A6-R8 VanDerWaalsContact C-N 3.34Å; A6-R8 PolarHBondContact O-N 2.6Å; R8-R11 PolarHBondContact O-N 2.51Å; R8-A12 WeakPolarHBondContact O-CB 3.34Å; R8-A12 PolarHBondContact O-N 3.21Å
9R56.6Low56.9Low196 Ų19685.4 Ų85.474%0.7442%0.42SS*.Hα-helixtrans-64.3-42.9177.4-69.9179.1-175.7170.52.1112A5 A6 I7 A12 L13A5-R9 PolarHBondContact O-N 2.76Å; A5-R9 VanDerWaalsContact O-N 3.08Å; A6-R9 PolarHBondContact O-N 2.98Å; I7-R9 PolarHBondContact O-N 2.75Å; R9-A12 PolarHBondContact O-N 2.62Å; R9-L13 PolarHBondContact O-N 3.2Å
10L55.8Low56.7Low22 Ų2285.5 Ų85.512%0.11542%0.419CS..Hα-helixtrans-64.6-40.2176.9-65.8174.9000111.8L2 A6 I7 L13 A14 V57 R60 I61L2-L10 HydrophobicContact CD1-CD1 4.12Å; A6-L10 WeakPolarHBondContact O-CG 3.49Å; A6-L10 PolarHBondContact O-N 2.74Å; I7-L10 PolarHBondContact O-N 3.07Å; L10-L13 PolarHBondContact O-N 2.97Å; L10-A14 PolarHBondContact O-N 2.66Å; L10-V57 HydrophobicContact CD2-CG1 3.91Å; L10-R60 HydrophobicContact CD1-CG 4.34Å; L10-I61 HydrophobicContact CB-CG1 4.41Å; L10-I61 HydrophobicContact CD2-CD1 3.8Å; L10-I61 HydrophobicContact CD2-CG1 3.64Å; L10-I61 HydrophobicContact CG-CG1 4.48Å
11R58.2Low56.3Low131 Ų13181.7 Ų81.749%0.49440%0.402SS..Hα-helixtrans-65.2-40174.6-168.8-179.4-67.2175.7-2.8111.8I7 R8 L13 A14 N15I7-R11 PolarHBondContact O-N 3.07Å; R8-R11 PolarHBondContact O-N 2.51Å; R11-L13 VanDerWaalsContact C-N 3.33Å; R11-L13 PolarHBondContact O-N 3.1Å; R11-A14 PolarHBondContact O-N 2.96Å; R11-N15 WeakPolarHBondContact O-CB 3.31Å; R11-N15 VanDerWaalsContact O-CG 3.22Å; R11-N15 PolarHBondContact O-N 2.96Å; R11-N15 PolarHBondContact O-OD1 3.19Å
12A62.7Low56.2Low58 Ų5874.4 Ų74.448%0.47937%0.371SS..Hα-helixtrans-62.3-40.7174.400000111.7R8 R9 N15 W16R8-A12 WeakPolarHBondContact O-CB 3.34Å; R8-A12 PolarHBondContact O-N 3.21Å; R9-A12 PolarHBondContact O-N 2.62Å; A12-N15 PolarHBondContact O-N 3.28Å; A12-W16 WeakPolarHBondContact O-CB 3.15Å; A12-W16 PolarHBondContact O-N 3.34Å
13L59.5Low56Low30 Ų3076.4 Ų76.416%0.15738%0.381CS..Hα-helixtrans-64.2-44.9174.3-174.768.8000111.6R9 L10 R11 W16 V17 Y42 I61R9-L13 PolarHBondContact O-N 3.2Å; L10-L13 PolarHBondContact O-N 2.97Å; R11-L13 VanDerWaalsContact C-N 3.33Å; R11-L13 PolarHBondContact O-N 3.1Å; L13-W16 WeakPolarHBondContact O-CB 3.48Å; L13-W16 PolarHBondContact O-N 3.43Å; L13-V17 WeakPolarHBondContact O-CG2 3.49Å; L13-V17 PolarHBondContact O-N 2.86Å; L13-Y42 HydrophobicContact CD1-CD1 3.92Å; L13-Y42 HydrophobicContact CD1-CD2 4.19Å; L13-Y42 HydrophobicContact CD1-CE1 4.33Å; L13-Y42 HydrophobicContact CD1-CG 3.84Å; L13-I61 HydrophobicContact CD2-CD1 3.92Å
14A61.9Low55Low0 Ų074.1 Ų74.10%037%0.373CS..Hα-helixtrans-61.7-44.6176.100000111.9L10 R11 W16 V17 N18 L65L10-A14 PolarHBondContact O-N 2.66Å; R11-A14 PolarHBondContact O-N 2.96Å; A14-W16 VanDerWaalsContact C-N 3.29Å; A14-W16 PolarHBondContact O-N 3.27Å; A14-V17 PolarHBondContact O-N 3.36Å; A14-N18 PolarHBondContact O-N 3.13Å; A14-L65 HydrophobicContact CB-CD2 4.12Å
15N62.1Low53.9Low93 Ų9378 Ų7850%0.49738%0.383SS..Hα-helixtrans-60.4-39.9174.2-72.2-6.9000111.7R11 A12 N18 A19R11-N15 WeakPolarHBondContact O-CB 3.31Å; R11-N15 VanDerWaalsContact O-CG 3.22Å; R11-N15 PolarHBondContact O-N 2.96Å; R11-N15 PolarHBondContact O-OD1 3.19Å; A12-N15 PolarHBondContact O-N 3.28Å; N15-N18 PolarHBondContact O-N 2.85Å; N15-A19 VanDerWaalsContact O-CB 3.29Å; N15-A19 WeakPolarHBondContact O-CB 3.13Å; N15-A19 PolarHBondContact O-N 2.63Å
16W63Low52.8Low76 Ų7679.8 Ų79.829%0.28839%0.386SS..Hα-helixtrans-64.2-43.7175.1-176.793.2000111.4A12 L13 A14 A19 H20 L38 Y42A12-W16 WeakPolarHBondContact O-CB 3.15Å; A12-W16 PolarHBondContact O-N 3.34Å; L13-W16 WeakPolarHBondContact O-CB 3.48Å; L13-W16 PolarHBondContact O-N 3.43Å; A14-W16 VanDerWaalsContact C-N 3.29Å; A14-W16 PolarHBondContact O-N 3.27Å; W16-A19 PolarHBondContact O-N 3.18Å; W16-H20 AromaticContact CD1-CE1 3.37Å; W16-H20 AromaticContact CD1-ND1 3.69Å; W16-H20 AromaticContact CD2-CE1 3.88Å; W16-H20 AromaticContact CD2-ND1 3.59Å; W16-H20 AromaticContact CE2-CE1 3.27Å; W16-H20 AromaticContact CE2-CG 3.89Å; W16-H20 AromaticContact CE2-ND1 3.39Å; W16-H20 AromaticContact CE2-NE2 3.64Å; W16-H20 AromaticContact CG-CE1 3.91Å; W16-H20 AromaticContact CG-ND1 3.76Å; W16-H20 AromaticContact CZ2-CD2 3.73Å; W16-H20 AromaticContact CZ2-CE1 3.77Å; W16-H20 AromaticContact CZ2-CG 3.86Å; W16-H20 AromaticContact CZ2-ND1 3.85Å; W16-H20 AromaticContact CZ2-NE2 3.66Å; W16-H20 AromaticContact NE1-CE1 2.96Å; W16-H20 PolarHBondContact NE1-CE1 2.95Å; W16-H20 AromaticContact NE1-ND1 3.5Å; W16-H20 PolarHBondContact NE1-ND1 2.86Å; W16-H20 AromaticContact NE1-NE2 3.52Å; W16-H20 WeakPolarHBondContact O-CB 3.44Å; W16-H20 PolarHBondContact O-N 2.06Å; W16-H20 PolarHBondContact O-ND1 2.69Å; W16-L38 HydrophobicContact CH2-CD1 4.31Å; W16-L38 HydrophobicContact CH2-CD2 3.87Å; W16-Y42 HydrophobicContact CH2-CE2 4.27Å; W16-Y42 HydrophobicContact CZ3-CE2 4.25Å
17V59.7Low52.2Low15 Ų1584.3 Ų84.39%0.09141%0.407CS..Hα-helixtrans-60.8-48.1174.7172.20000110.7L13 A14 A19 H20 A21 L34 L65L13-V17 WeakPolarHBondContact O-CG2 3.49Å; L13-V17 PolarHBondContact O-N 2.86Å; A14-V17 PolarHBondContact O-N 3.36Å; V17-A19 PolarHBondContact O-N 2.61Å; V17-H20 PolarHBondContact O-N 3.02Å; V17-A21 WeakPolarHBondContact O-CB 2.89Å; V17-A21 PolarHBondContact O-N 3.36Å; V17-L34 HydrophobicContact CG1-CD2 4.42Å; V17-L65 HydrophobicContact CB-CD2 3.99Å; V17-L65 HydrophobicContact CG1-CD2 3.78Å
18N60.2Low51.5Low30 Ų3085.3 Ų85.316%0.1642%0.418CS..Hα-helixtrans-59.5-45.8177.3-68-14.4000110.9A14 N15 H20 A21 T22 L65 D66 S69A14-N18 PolarHBondContact O-N 3.13Å; N15-N18 PolarHBondContact O-N 2.85Å; N18-H20 PolarHBondContact O-N 3.3Å; N18-A21 WeakPolarHBondContact O-CB 3.49Å; N18-A21 PolarHBondContact O-N 3.32Å; N18-T22 PolarHBondContact O-N 2.79Å; N18-T22 VanDerWaalsContact O-N 3.08Å; N18-T22 PolarHBondContact O-OG1 2.97Å; N18-L65 WeakPolarHBondContact OD1-CD2 3.29Å; N18-D66 PolarHBondContact OD1-N 3.14Å; N18-S69 PolarHBondContact OD1-OG 3.3Å
19A60.1Low50.4Low51 Ų5177.1 Ų77.142%0.42139%0.389SS..Hα-helixtrans-64-38.9179.600000113.2N15 W16 V17 T22N15-A19 VanDerWaalsContact O-CB 3.29Å; N15-A19 WeakPolarHBondContact O-CB 3.13Å; N15-A19 PolarHBondContact O-N 2.63Å; W16-A19 PolarHBondContact O-N 3.18Å; V17-A19 PolarHBondContact O-N 2.61Å; A19-T22 WeakPolarHBondContact CA-OG1 2.96Å; A19-T22 PolarHBondContact O-N 3.12Å; A19-T22 PolarHBondContact O-OG1 2.85Å
20H53.4Low49.2Very low87 Ų8770.5 Ų70.540%0.40337%0.367SS..Hα-helixtrans-79.7-25.3177.6-7069.9000111.9W16 V17 N18 T22 I23W16-H20 AromaticContact CD1-CE1 3.37Å; W16-H20 AromaticContact CD1-ND1 3.69Å; W16-H20 AromaticContact CD2-CE1 3.88Å; W16-H20 AromaticContact CD2-ND1 3.59Å; W16-H20 AromaticContact CE2-CE1 3.27Å; W16-H20 AromaticContact CE2-CG 3.89Å; W16-H20 AromaticContact CE2-ND1 3.39Å; W16-H20 AromaticContact CE2-NE2 3.64Å; W16-H20 AromaticContact CG-CE1 3.91Å; W16-H20 AromaticContact CG-ND1 3.76Å; W16-H20 AromaticContact CZ2-CD2 3.73Å; W16-H20 AromaticContact CZ2-CE1 3.77Å; W16-H20 AromaticContact CZ2-CG 3.86Å; W16-H20 AromaticContact CZ2-ND1 3.85Å; W16-H20 AromaticContact CZ2-NE2 3.66Å; W16-H20 AromaticContact NE1-CE1 2.96Å; W16-H20 PolarHBondContact NE1-CE1 2.95Å; W16-H20 AromaticContact NE1-ND1 3.5Å; W16-H20 PolarHBondContact NE1-ND1 2.86Å; W16-H20 AromaticContact NE1-NE2 3.52Å; W16-H20 WeakPolarHBondContact O-CB 3.44Å; W16-H20 PolarHBondContact O-N 2.06Å; W16-H20 PolarHBondContact O-ND1 2.69Å; V17-H20 PolarHBondContact O-N 3.02Å; N18-H20 PolarHBondContact O-N 3.3Å; H20-T22 VanDerWaalsContact C-N 3.31Å; H20-I23 HydrophobicContact CB-CD1 4.47Å
21A47.4Very low48Very low7 Ų775 Ų756%0.05839%0.391CS..Hα-helixtrans-66.6-33.6170.600000111.6V17 N18 I23 R72V17-A21 WeakPolarHBondContact O-CB 2.89Å; V17-A21 PolarHBondContact O-N 3.36Å; N18-A21 WeakPolarHBondContact O-CB 3.49Å; N18-A21 PolarHBondContact O-N 3.32Å; A21-I23 VanDerWaalsContact C-N 3.25Å; A21-I23 PolarHBondContact O-N 3.15Å; A21-R72 VanDerWaalsContact CA-NH1 3.3Å; A21-R72 PolarHBondContact O-NH1 2.74Å; A21-R72 PolarHBondContact O-NH2 3.04Å
22T41.4Very low46.7Very low96 Ų9674.2 Ų74.259%0.58939%0.392SS*.THydrogen-bonded Turntrans-72-4.4179.238.40000116N18 A19 H20 S24N18-T22 PolarHBondContact O-N 2.79Å; N18-T22 VanDerWaalsContact O-N 3.08Å; N18-T22 PolarHBondContact O-OG1 2.97Å; A19-T22 WeakPolarHBondContact CA-OG1 2.96Å; A19-T22 PolarHBondContact O-N 3.12Å; A19-T22 PolarHBondContact O-OG1 2.85Å; H20-T22 VanDerWaalsContact C-N 3.31Å; T22-S24 PolarHBondContact O-N 3.14Å
23I37.7Very low45.3Very low132 Ų13278.1 Ų78.168%0.67740%0.398SS*.THydrogen-bonded Turntrans-71.86.6-172.9-62.6175.9000114.2H20 A21H20-I23 HydrophobicContact CB-CD1 4.47Å; A21-I23 VanDerWaalsContact C-N 3.25Å; A21-I23 PolarHBondContact O-N 3.15Å
24S37.7Very low44.2Very low56 Ų5677.8 Ų77.839%0.39240%0.396SS..  trans-140.4114.8174.7-177.60000111.6T22 D26 L29T22-S24 PolarHBondContact O-N 3.14Å; S24-D26 PolarHBondContact O-N 3.38Å; S24-D26 VanDerWaalsContact O-N 3.13Å; S24-L29 WeakPolarHBondContact O-CD1 3.39Å
25R37Very low43.2Very low254 Ų25481.3 Ų81.396%0.95842%0.419SS*.  trans-80.640.3178.8-72.7-176.3172.6177.6-2.2112.9
26D34.9Very low42.1Very low87 Ų8783.5 Ų83.547%0.46543%0.426SS..  trans-116.9102.3-176.8-154.3-25000109.5S24 S28 L29S24-D26 PolarHBondContact O-N 3.38Å; S24-D26 VanDerWaalsContact O-N 3.13Å; D26-S28 PolarHBondContact O-N 2.74Å; D26-S28 PolarHBondContact OD1-OG 3.2Å; D26-L29 HydrophobicContact CB-CD1 4.33Å; D26-L29 VanDerWaalsContact O-CB 3.23Å; D26-L29 WeakPolarHBondContact O-CB 3.23Å; D26-L29 WeakPolarHBondContact O-CD1 3.45Å; D26-L29 WeakPolarHBondContact O-CG 3.46Å; D26-L29 PolarHBondContact O-N 3.49Å
27D37.8Very low41Very low116 Ų11687.5 Ų87.562%0.6245%0.448SS*.G310 helixtrans-61.6-8.1-170.3-66.6-34.9000114.1L29D27-L29 PolarHBondContact O-N 3.14Å; D27-L29 VanDerWaalsContact O-N 3.14Å
28S36.1Very low40.2Very low69 Ų6989.8 Ų89.848%0.48346%0.459SS..G310 helixtrans-66.5-6.1168.462.90000114.2D26 I30 N31D26-S28 PolarHBondContact O-N 2.74Å; D26-S28 PolarHBondContact OD1-OG 3.2Å; S28-I30 PolarHBondContact O-N 3.49Å; S28-N31 PolarHBondContact O-N 3.24Å
29L34.3Very low39.4Very low14 Ų1489.2 Ų89.27%0.07346%0.456CS..G310 helixtrans-74.2-5.2-171.2-82.5163.5000117.5S24 D26 D27 N31 K32S24-L29 WeakPolarHBondContact O-CD1 3.39Å; D26-L29 HydrophobicContact CB-CD1 4.33Å; D26-L29 VanDerWaalsContact O-CB 3.23Å; D26-L29 WeakPolarHBondContact O-CB 3.23Å; D26-L29 WeakPolarHBondContact O-CD1 3.45Å; D26-L29 WeakPolarHBondContact O-CG 3.46Å; D26-L29 PolarHBondContact O-N 3.49Å; D27-L29 PolarHBondContact O-N 3.14Å; D27-L29 VanDerWaalsContact O-N 3.14Å; L29-N31 PolarHBondContact O-N 3.2Å; L29-K32 HydrophobicContact CD2-CB 3.64Å; L29-K32 HydrophobicContact CD2-CD 3.56Å; L29-K32 HydrophobicContact CD2-CG 3.72Å; L29-K32 PolarHBondContact O-N 3.49Å
30I32.4Very low38.6Very low56 Ų5690.9 Ų90.929%0.28746%0.458SS..G310 helixtrans-52.4-24.7167.4-70.6177.5000109.3S28 Q75 F98S28-I30 PolarHBondContact O-N 3.49Å; I30-Q75 VanDerWaalsContact O-CD 3.25Å; I30-Q75 PolarHBondContact O-NE2 3.27Å; I30-Q75 PolarHBondContact O-OE1 3.37Å; I30-F98 HydrophobicContact CD1-CE1 4.19Å; I30-F98 HydrophobicContact CG1-CE1 4.49Å
31N30.1Very low38Very low116 Ų11696.9 Ų96.962%0.6248%0.477SS*.G310 helixtrans-10410.7-177.1-59.7-47.6000117.4S28 L29 Q75S28-N31 PolarHBondContact O-N 3.24Å; L29-N31 PolarHBondContact O-N 3.2Å; N31-Q75 PolarHBondContact O-OE1 2.8Å
32K31.3Very low37.9Very low116 Ų116101.8 Ų101.850%0.50449%0.494SS..PPolyproline II helixtrans-101.2119.9174.1-64-165.2-168.9165.50111.8L29L29-K32 HydrophobicContact CD2-CB 3.64Å; L29-K32 HydrophobicContact CD2-CD 3.56Å; L29-K32 HydrophobicContact CD2-CG 3.72Å; L29-K32 PolarHBondContact O-N 3.49Å
33K33.4Very low38.2Very low139 Ų13998.5 Ų98.560%0.60447%0.472SS*.PPolyproline II helixtrans-56.8140.4171.5-81.5176.9165.3179.70111.3Q75K33-Q75 WeakPolarHBondContact CE-O 3.13Å; K33-Q75 HydrophobicContact CG-CB 3.87Å; K33-Q75 WeakPolarHBondContact CG-O 3.25Å
34L37.2Very low38.3Very low23 Ų2398.7 Ų98.712%0.1247%0.468CS..PPolyproline II helixtrans-59.5139.5162.5-90.4120.3000109.5V17 E36 L39 R72 V76V17-L34 HydrophobicContact CG1-CD2 4.42Å; L34-E36 PolarHBondContact O-N 3.11Å; L34-L39 HydrophobicContact CB-CD1 4.35Å; L34-R72 HydrophobicContact CD1-CB 3.74Å; L34-V76 HydrophobicContact CB-CG2 4.25Å
35P39.7Very low38.4Very low75 Ų75101 Ų10149%0.48748%0.482SS..PPolyproline II helixtrans-56.3124.5174.7-21.830.8000110.9E37 L38P35-E37 PolarHBondContact O-N 2.86Å; P35-L38 HydrophobicContact CB-CD1 4.27Å; P35-L38 HydrophobicContact CB-CG 4.31Å; P35-L38 HydrophobicContact CG-CD1 4.03Å; P35-L38 PolarHBondContact O-N 3.49Å; P35-L38 VanDerWaalsContact O-N 3.12Å
36E39.9Very low38.6Very low138 Ų13892.6 Ų92.665%0.64546%0.456SS*.Hα-helixtrans-58.1-34.2-175.5-153.2165.7-157.200111.9L34 L38 L39 L40L34-E36 PolarHBondContact O-N 3.11Å; E36-L38 PolarHBondContact O-N 3.1Å; E36-L39 PolarHBondContact O-N 3.24Å; E36-L40 WeakPolarHBondContact O-CG 3.46Å; E36-L40 PolarHBondContact O-N 2.78Å
37E39.7Very low38.8Very low160 Ų16090.7 Ų90.775%0.74845%0.449SS*.Hα-helixtrans-61.4-37177.6-66.2179.7165.700113.9P35 L39 R41P35-E37 PolarHBondContact O-N 2.86Å; E37-L39 VanDerWaalsContact C-N 3.27Å; E37-L39 PolarHBondContact O-N 3.08Å; E37-R41 PolarHBondContact O-N 3.39Å
38L42.6Very low39Very low63 Ų6395.1 Ų95.133%0.3346%0.463SS..Hα-helixtrans-67.6-33178.3-72.8177.9000111.3W16 P35 E36 Y42W16-L38 HydrophobicContact CH2-CD1 4.31Å; W16-L38 HydrophobicContact CH2-CD2 3.87Å; P35-L38 HydrophobicContact CB-CD1 4.27Å; P35-L38 HydrophobicContact CB-CG 4.31Å; P35-L38 HydrophobicContact CG-CD1 4.03Å; P35-L38 PolarHBondContact O-N 3.49Å; P35-L38 VanDerWaalsContact O-N 3.12Å; E36-L38 PolarHBondContact O-N 3.1Å; L38-Y42 WeakPolarHBondContact O-CD2 3.14Å
39L43.8Very low39.4Very low18 Ų1894 Ų949%0.09446%0.462CS..Hα-helixtrans-77.5-42.9179.5-60.6179.3000111.2L34 E36 E37 R41 Y42 F43 V76 W80L34-L39 HydrophobicContact CB-CD1 4.35Å; E36-L39 PolarHBondContact O-N 3.24Å; E37-L39 VanDerWaalsContact C-N 3.27Å; E37-L39 PolarHBondContact O-N 3.08Å; L39-R41 VanDerWaalsContact C-N 3.26Å; L39-R41 PolarHBondContact O-N 2.58Å; L39-Y42 PolarHBondContact O-N 2.59Å; L39-F43 HydrophobicContact CB-CD2 4.44Å; L39-F43 HydrophobicContact CD2-CD2 4.41Å; L39-F43 HydrophobicContact CD2-CE2 4.19Å; L39-F43 WeakPolarHBondContact O-CB 3.21Å; L39-F43 WeakPolarHBondContact O-CD2 3.4Å; L39-F43 PolarHBondContact O-N 2.57Å; L39-V76 HydrophobicContact CD1-CB 4.23Å; L39-V76 HydrophobicContact CD1-CG1 3.52Å; L39-V76 HydrophobicContact CD1-CG2 3.7Å; L39-W80 HydrophobicContact CB-CH2 4.29Å; L39-W80 HydrophobicContact CD1-CE3 3.96Å; L39-W80 HydrophobicContact CD1-CH2 3.55Å; L39-W80 HydrophobicContact CD1-CZ2 4.16Å; L39-W80 HydrophobicContact CD1-CZ3 3.39Å; L39-W80 HydrophobicContact CD2-CH2 3.24Å; L39-W80 HydrophobicContact CD2-CZ2 4.21Å; L39-W80 HydrophobicContact CD2-CZ3 3.61Å; L39-W80 HydrophobicContact CG-CH2 3.85Å; L39-W80 HydrophobicContact CG-CZ3 4.08Å
40L42.2Very low40.2Very low87 Ų8798.3 Ų98.346%0.45549%0.485SS..Hα-helixtrans-56.5-42.2175.9-71.6169.2000111E36 Y42 F44E36-L40 WeakPolarHBondContact O-CG 3.46Å; E36-L40 PolarHBondContact O-N 2.78Å; L40-Y42 VanDerWaalsContact C-N 3.32Å; L40-Y42 PolarHBondContact O-N 2.89Å; L40-F44 HydrophobicContact CD2-CD2 3.55Å; L40-F44 HydrophobicContact CD2-CE2 3.64Å; L40-F44 VanDerWaalsContact O-CB 3.29Å; L40-F44 WeakPolarHBondContact O-CB 3.29Å; L40-F44 PolarHBondContact O-N 3.28Å; L40-F44 VanDerWaalsContact O-N 3.17Å
41R42Very low41.3Very low212 Ų212102.1 Ų102.180%0.851%0.506SS*.Hα-helixtrans-61.5-34.5-176.6-129.7177.8-173.1-1772.5114.6E37 L39E37-R41 PolarHBondContact O-N 3.39Å; L39-R41 VanDerWaalsContact C-N 3.26Å; L39-R41 PolarHBondContact O-N 2.58Å
42Y45.7Very low42.6Very low110 Ų110101.7 Ų101.743%0.43151%0.508SS..Hα-helixtrans-102.8-27.5-176.2-68.6-76000114L13 W16 L38 L39 L40L13-Y42 HydrophobicContact CD1-CD1 3.92Å; L13-Y42 HydrophobicContact CD1-CD2 4.19Å; L13-Y42 HydrophobicContact CD1-CE1 4.33Å; L13-Y42 HydrophobicContact CD1-CG 3.84Å; W16-Y42 HydrophobicContact CH2-CE2 4.27Å; W16-Y42 HydrophobicContact CZ3-CE2 4.25Å; L38-Y42 WeakPolarHBondContact O-CD2 3.14Å; L39-Y42 PolarHBondContact O-N 2.59Å; L40-Y42 VanDerWaalsContact C-N 3.32Å; L40-Y42 PolarHBondContact O-N 2.89Å
43F46.3Very low43.9Very low28 Ų28104.9 Ų104.912%0.12352%0.517CS..Hα-helixtrans-91.3-28.7-177.6-77.4-85.6000113.8L39 P45 L46 V58 I61 W80L39-F43 HydrophobicContact CB-CD2 4.44Å; L39-F43 HydrophobicContact CD2-CD2 4.41Å; L39-F43 HydrophobicContact CD2-CE2 4.19Å; L39-F43 WeakPolarHBondContact O-CB 3.21Å; L39-F43 WeakPolarHBondContact O-CD2 3.4Å; L39-F43 PolarHBondContact O-N 2.57Å; F43-P45 VanDerWaalsContact C-CD 3.45Å; F43-L46 WeakPolarHBondContact O-CB 3.35Å; F43-L46 PolarHBondContact O-N 2.94Å; F43-L46 VanDerWaalsContact O-N 3.1Å; F43-V58 HydrophobicContact CD1-CG2 3.68Å; F43-V58 HydrophobicContact CE1-CB 4.1Å; F43-V58 HydrophobicContact CE1-CG1 4.35Å; F43-V58 HydrophobicContact CE1-CG2 3.35Å; F43-V58 HydrophobicContact CZ-CG2 4.38Å; F43-I61 HydrophobicContact CE1-CD1 3.57Å; F43-I61 HydrophobicContact CZ-CD1 3.57Å; F43-W80 HydrophobicContact CD1-CZ2 4.41Å; F43-W80 HydrophobicContact CD2-CH2 4.07Å; F43-W80 AromaticContact CD2-CZ2 3.85Å; F43-W80 HydrophobicContact CD2-CZ2 3.85Å; F43-W80 HydrophobicContact CE1-CZ2 4.22Å; F43-W80 AromaticContact CE2-CH2 3.51Å; F43-W80 HydrophobicContact CE2-CH2 3.51Å; F43-W80 AromaticContact CE2-CZ2 3.62Å; F43-W80 HydrophobicContact CE2-CZ2 3.62Å; F43-W80 HydrophobicContact CG-CZ2 4.24Å; F43-W80 AromaticContact CZ-CH2 3.87Å; F43-W80 HydrophobicContact CZ-CH2 3.87Å; F43-W80 AromaticContact CZ-CZ2 3.8Å; F43-W80 HydrophobicContact CZ-CZ2 3.8Å
44F40.4Very low45.4Very low136 Ų13699.7 Ų99.760%0.59650%0.495SS*.G310 helixtrans-63.4-33.2-177.9-124.6-98.1000115.2L40 L46 S47L40-F44 HydrophobicContact CD2-CD2 3.55Å; L40-F44 HydrophobicContact CD2-CE2 3.64Å; L40-F44 VanDerWaalsContact O-CB 3.29Å; L40-F44 WeakPolarHBondContact O-CB 3.29Å; L40-F44 PolarHBondContact O-N 3.28Å; L40-F44 VanDerWaalsContact O-N 3.17Å; F44-L46 PolarHBondContact O-N 3.23Å; F44-L46 VanDerWaalsContact O-N 3.09Å; F44-S47 PolarHBondContact O-N 3.32Å; F44-S47 PolarHBondContact O-OG 3.49Å
45P40.8Very low46.7Very low103 Ų103100.1 Ų100.167%0.66950%0.503SS*.G310 helixtrans-62.2-19.1175.4-22.133.2000113.3F43F43-P45 VanDerWaalsContact C-CD 3.45Å
46L40.8Very low47.9Very low79 Ų79100.9 Ų100.941%0.41451%0.506SS..G310 helixtrans-88-8.9177.3-63.7166.4000112.9F43 F44 I54 V57F43-L46 WeakPolarHBondContact O-CB 3.35Å; F43-L46 PolarHBondContact O-N 2.94Å; F43-L46 VanDerWaalsContact O-N 3.1Å; F44-L46 PolarHBondContact O-N 3.23Å; F44-L46 VanDerWaalsContact O-N 3.09Å; L46-I54 WeakPolarHBondContact O-CG1 3.36Å; L46-V57 HydrophobicContact CD1-CG1 3.88Å
47S38.7Very low49.3Very low46 Ų4695.4 Ų95.432%0.32248%0.482SS..  trans-83.4-12.7-170.177.60000115.7F44 G49F44-S47 PolarHBondContact O-N 3.32Å; F44-S47 PolarHBondContact O-OG 3.49Å; S47-G49 VanDerWaalsContact C-N 3.29Å; S47-G49 PolarHBondContact O-N 3.49Å
48K41Very low50.8Low209 Ų20988 Ų8891%0.90945%0.447SS*.SBendtrans-78.579.3174.2-77-171.9175.4-178.70110.7
49G45.2Very low52Low46 Ų4688 Ų8847%0.47445%0.445SS..SBendtrans120.5107.416400000114.3S47S47-G49 VanDerWaalsContact C-N 3.29Å; S47-G49 PolarHBondContact O-N 3.49Å
50N51.8Low53.4Low105 Ų10592.5 Ų92.556%0.56146%0.46SS*.  trans73.996175.1-71.8-31.1000116.9T52 R53 I54N50-T52 PolarHBondContact O-N 3.44Å; N50-R53 HydrophobicContact CB-CB 4.39Å; N50-R53 HydrophobicContact CB-CG 4.13Å; N50-R53 WeakPolarHBondContact O-CB 3.38Å; N50-R53 PolarHBondContact O-N 3.14Å; N50-I54 PolarHBondContact O-N 3.43Å
51N55.3Low55Low135 Ų13588.5 Ų88.572%0.72244%0.439SS*.Hα-helixtrans-47.3-35171-77.7-16.5000113.8R53 I54 A55N51-R53 PolarHBondContact O-N 2.94Å; N51-I54 PolarHBondContact O-N 2.93Å; N51-A55 PolarHBondContact O-N 3.44Å
52T56.7Low56.7Low107 Ų10778.5 Ų78.566%0.65640%0.402SS*.Hα-helixtrans-64.9-38.3177.5-18.70000112.3N50 A55 V56N50-T52 PolarHBondContact O-N 3.44Å; T52-A55 PolarHBondContact O-N 2.88Å; T52-V56 VanDerWaalsContact O-CG2 3.29Å; T52-V56 WeakPolarHBondContact O-CG2 3.37Å; T52-V56 PolarHBondContact O-N 2.9Å; T52-V56 VanDerWaalsContact O-N 3.12Å
53R59.3Low58.2Low183 Ų18375.5 Ų75.569%0.69140%0.397SS*.Hα-helixtrans-68-39.5177.2-71.8-173.9175.1-174.8-1111.2N50 N51 V56 V57N50-R53 HydrophobicContact CB-CB 4.39Å; N50-R53 HydrophobicContact CB-CG 4.13Å; N50-R53 WeakPolarHBondContact O-CB 3.38Å; N50-R53 PolarHBondContact O-N 3.14Å; N51-R53 PolarHBondContact O-N 2.94Å; R53-V56 PolarHBondContact O-N 3.45Å; R53-V57 WeakPolarHBondContact O-CG2 3.5Å; R53-V57 PolarHBondContact O-N 3.22Å
54I63.5Low59.6Low30 Ų3076.7 Ų76.715%0.15440%0.401CS..Hα-helixtrans-62.7-48.3176.6-54.9166000110L46 N50 N51 V56 V57 V58L46-I54 WeakPolarHBondContact O-CG1 3.36Å; N50-I54 PolarHBondContact O-N 3.43Å; N51-I54 PolarHBondContact O-N 2.93Å; I54-V56 VanDerWaalsContact C-N 3.27Å; I54-V56 PolarHBondContact O-N 2.94Å; I54-V57 PolarHBondContact O-N 2.92Å; I54-V58 HydrophobicContact CG2-CG2 3.92Å; I54-V58 WeakPolarHBondContact O-CG2 3.38Å; I54-V58 PolarHBondContact O-N 3.37Å
55A65.2Low61.2Low33 Ų3371 Ų7127%0.27338%0.377SS..Hα-helixtrans-57.2-42.7178.700000111.5N51 T52 V57 V58 F59 L83N51-A55 PolarHBondContact O-N 3.44Å; T52-A55 PolarHBondContact O-N 2.88Å; A55-V57 PolarHBondContact O-N 2.94Å; A55-V58 PolarHBondContact O-N 3.2Å; A55-F59 WeakPolarHBondContact O-CB 3.22Å; A55-F59 PolarHBondContact O-N 2.83Å; A55-L83 HydrophobicContact CB-CD1 4.47Å
56V65.1Low62.8Low91 Ų9168.9 Ų68.955%0.55236%0.36SS*.Hα-helixtrans-62.5-40.8175.3172.20000112.1T52 R53 I54 R60T52-V56 VanDerWaalsContact O-CG2 3.29Å; T52-V56 WeakPolarHBondContact O-CG2 3.37Å; T52-V56 PolarHBondContact O-N 2.9Å; T52-V56 VanDerWaalsContact O-N 3.12Å; R53-V56 PolarHBondContact O-N 3.45Å; I54-V56 VanDerWaalsContact C-N 3.27Å; I54-V56 PolarHBondContact O-N 2.94Å; V56-R60 WeakPolarHBondContact O-CB 3.41Å; V56-R60 PolarHBondContact O-N 3.24Å
57V69.2Low64.3Low23 Ų2366.3 Ų66.314%0.13935%0.346CS..Hα-helixtrans-69.5-46.4177.9175.80000111.4L10 L46 R53 I54 A55 F59 R60 I61L10-V57 HydrophobicContact CD2-CG1 3.91Å; L46-V57 HydrophobicContact CD1-CG1 3.88Å; R53-V57 WeakPolarHBondContact O-CG2 3.5Å; R53-V57 PolarHBondContact O-N 3.22Å; I54-V57 PolarHBondContact O-N 2.92Å; A55-V57 PolarHBondContact O-N 2.94Å; V57-F59 VanDerWaalsContact C-N 3.34Å; V57-F59 PolarHBondContact O-N 3.45Å; V57-R60 PolarHBondContact O-N 3.46Å; V57-R60 VanDerWaalsContact O-N 3.16Å; V57-I61 HydrophobicContact CG1-CD1 4.03Å; V57-I61 WeakPolarHBondContact O-CG1 3.3Å; V57-I61 PolarHBondContact O-N 2.95Å
58V71.4Confident66Low4 Ų465.3 Ų65.32%0.02434%0.338CS..Hα-helixtrans-58.5-48.1176.4176.40000110F43 I54 A55 R60 I61 F62 W80 L83F43-V58 HydrophobicContact CD1-CG2 3.68Å; F43-V58 HydrophobicContact CE1-CB 4.1Å; F43-V58 HydrophobicContact CE1-CG1 4.35Å; F43-V58 HydrophobicContact CE1-CG2 3.35Å; F43-V58 HydrophobicContact CZ-CG2 4.38Å; I54-V58 HydrophobicContact CG2-CG2 3.92Å; I54-V58 WeakPolarHBondContact O-CG2 3.38Å; I54-V58 PolarHBondContact O-N 3.37Å; A55-V58 PolarHBondContact O-N 3.2Å; V58-R60 VanDerWaalsContact C-N 3.29Å; V58-R60 PolarHBondContact O-N 3.17Å; V58-I61 WeakPolarHBondContact O-CB 3.28Å; V58-I61 PolarHBondContact O-N 2.75Å; V58-I61 VanDerWaalsContact O-N 3.08Å; V58-F62 HydrophobicContact CG1-CD1 4.13Å; V58-F62 HydrophobicContact CG1-CD2 4.29Å; V58-F62 HydrophobicContact CG1-CE1 3.71Å; V58-F62 HydrophobicContact CG1-CE2 3.89Å; V58-F62 HydrophobicContact CG1-CG 4.41Å; V58-F62 HydrophobicContact CG1-CZ 3.58Å; V58-F62 WeakPolarHBondContact O-CD1 3.43Å; V58-F62 WeakPolarHBondContact O-CG 3.44Å; V58-F62 PolarHBondContact O-N 3.5Å; V58-W80 HydrophobicContact CG1-CZ2 4.5Å; V58-L83 HydrophobicContact CB-CD1 3.91Å; V58-L83 HydrophobicContact CG1-CD1 3.65Å
59F68.6Low67.6Low63 Ų6355.4 Ų55.428%0.27630%0.295SS..Hα-helixtrans-57.6-43.1176178.3-102.1000111.8A55 V57 I61 F62 S63 L83 D86 S88A55-F59 WeakPolarHBondContact O-CB 3.22Å; A55-F59 PolarHBondContact O-N 2.83Å; V57-F59 VanDerWaalsContact C-N 3.34Å; V57-F59 PolarHBondContact O-N 3.45Å; F59-I61 VanDerWaalsContact C-N 3.33Å; F59-I61 PolarHBondContact O-N 3.21Å; F59-F62 PolarHBondContact O-N 3.36Å; F59-S63 PolarHBondContact O-N 3.12Å; F59-L83 HydrophobicContact CB-CD2 4.34Å; F59-L83 HydrophobicContact CD2-CD2 4.46Å; F59-D86 HydrophobicContact CD2-CB 4.35Å; F59-D86 HydrophobicContact CE2-CB 3.77Å; F59-D86 VanDerWaalsContact CE2-CG 3.5Å; F59-S88 VanDerWaalsContact CE2-OG 3.3Å; F59-S88 WeakPolarHBondContact CE2-OG 3.26Å; F59-S88 WeakPolarHBondContact CZ-OG 3.11Å
60R71.6Confident69.1Low112 Ų11253.3 Ų53.342%0.42327%0.273SS..Hα-helixtrans-65.4-35.4175.8-166.758166.6167.5-2.5112.4L10 V56 V57 V58 S63 Y64L10-R60 HydrophobicContact CD1-CG 4.34Å; V56-R60 WeakPolarHBondContact O-CB 3.41Å; V56-R60 PolarHBondContact O-N 3.24Å; V57-R60 PolarHBondContact O-N 3.46Å; V57-R60 VanDerWaalsContact O-N 3.16Å; V58-R60 VanDerWaalsContact C-N 3.29Å; V58-R60 PolarHBondContact O-N 3.17Å; R60-S63 PolarHBondContact O-OG 3.12Å; R60-Y64 HydrophobicContact CG-CE2 4.27Å; R60-Y64 WeakPolarHBondContact O-CD2 3.46Å; R60-Y64 WeakPolarHBondContact O-CE2 3.33Å
61I76.5Confident70.2Confident4 Ų448.9 Ų48.92%0.02125%0.25CC..Hα-helixtrans-65.2-46.6172.7-66.8161.9000110L10 L13 F43 V57 V58 F59 S63 Y64L10-I61 HydrophobicContact CB-CG1 4.41Å; L10-I61 HydrophobicContact CD2-CD1 3.8Å; L10-I61 HydrophobicContact CD2-CG1 3.64Å; L10-I61 HydrophobicContact CG-CG1 4.48Å; L13-I61 HydrophobicContact CD2-CD1 3.92Å; F43-I61 HydrophobicContact CE1-CD1 3.57Å; F43-I61 HydrophobicContact CZ-CD1 3.57Å; V57-I61 HydrophobicContact CG1-CD1 4.03Å; V57-I61 WeakPolarHBondContact O-CG1 3.3Å; V57-I61 PolarHBondContact O-N 2.95Å; V58-I61 WeakPolarHBondContact O-CB 3.28Å; V58-I61 PolarHBondContact O-N 2.75Å; V58-I61 VanDerWaalsContact O-N 3.08Å; F59-I61 VanDerWaalsContact C-N 3.33Å; F59-I61 PolarHBondContact O-N 3.21Å; I61-S63 PolarHBondContact O-N 3.17Å; I61-Y64 WeakPolarHBondContact O-CB 3.37Å; I61-Y64 PolarHBondContact O-N 3.5Å
62F78.7Confident71Confident2 Ų243.7 Ų43.71%0.00922%0.22CC..Hα-helixtrans-59.9-33.5179.8-73.86.7000112.3V58 F59 Y64 L65 L70 C73 W80 L83 A84V58-F62 HydrophobicContact CG1-CD1 4.13Å; V58-F62 HydrophobicContact CG1-CD2 4.29Å; V58-F62 HydrophobicContact CG1-CE1 3.71Å; V58-F62 HydrophobicContact CG1-CE2 3.89Å; V58-F62 HydrophobicContact CG1-CG 4.41Å; V58-F62 HydrophobicContact CG1-CZ 3.58Å; V58-F62 WeakPolarHBondContact O-CD1 3.43Å; V58-F62 WeakPolarHBondContact O-CG 3.44Å; V58-F62 PolarHBondContact O-N 3.5Å; F59-F62 PolarHBondContact O-N 3.36Å; F62-Y64 PolarHBondContact O-N 2.87Å; F62-L65 HydrophobicContact CD1-CD1 3.57Å; F62-L65 HydrophobicContact CE1-CD1 4.1Å; F62-L65 HydrophobicContact CG-CD1 4.31Å; F62-L65 PolarHBondContact O-N 3.1Å; F62-L70 HydrophobicContact CB-CD2 3.85Å; F62-L70 HydrophobicContact CG-CD2 4.24Å; F62-C73 HydrophobicContact CE1-CB 3.96Å; F62-C73 HydrophobicContact CE2-CB 4.25Å; F62-C73 HydrophobicContact CZ-CB 3.72Å; F62-W80 HydrophobicContact CE1-CD2 4.39Å; F62-W80 HydrophobicContact CE1-CE3 4.06Å; F62-W80 HydrophobicContact CE1-CH2 4.14Å; F62-W80 AromaticContact CE1-CZ3 3.92Å; F62-W80 HydrophobicContact CE1-CZ3 3.92Å; F62-W80 HydrophobicContact CE2-CB 4.42Å; F62-W80 HydrophobicContact CZ-CB 4.21Å; F62-W80 AromaticContact CZ-CD2 3.65Å; F62-W80 HydrophobicContact CZ-CD2 3.65Å; F62-W80 AromaticContact CZ-CE3 3.55Å; F62-W80 HydrophobicContact CZ-CE3 3.55Å; F62-W80 AromaticContact CZ-CG 3.99Å; F62-W80 HydrophobicContact CZ-CG 3.99Å; F62-W80 HydrophobicContact CZ-CH2 4.33Å; F62-W80 AromaticContact CZ-CZ3 3.91Å; F62-W80 HydrophobicContact CZ-CZ3 3.91Å; F62-L83 HydrophobicContact CD2-CB 3.84Å; F62-L83 HydrophobicContact CE2-CB 3.72Å; F62-A84 VanDerWaalsContact CD2-CA 3.49Å; F62-A84 HydrophobicContact CD2-CB 3.8Å; F62-A84 HydrophobicContact CE2-CB 3.65Å
63S75.8Confident71.8Confident47 Ų4738.8 Ų38.833%0.32919%0.19SC..THydrogen-bonded Turntrans-63.4-8.7174.175.30000115F59 R60 I61 N89F59-S63 PolarHBondContact O-N 3.12Å; R60-S63 PolarHBondContact O-OG 3.12Å; I61-S63 PolarHBondContact O-N 3.17Å; S63-N89 VanDerWaalsContact CA-OD1 3.24Å; S63-N89 WeakPolarHBondContact CA-OD1 3.29Å; S63-N89 PolarHBondContact N-OD1 3.36Å
64Y75.4Confident72.4Confident53 Ų5330.5 Ų30.521%0.20816%0.161CC..THydrogen-bonded Turntrans-110-0.2173.9-62.8-69.2000113.7R60 I61 F62R60-Y64 HydrophobicContact CG-CE2 4.27Å; R60-Y64 WeakPolarHBondContact O-CD2 3.46Å; R60-Y64 WeakPolarHBondContact O-CE2 3.33Å; I61-Y64 WeakPolarHBondContact O-CB 3.37Å; I61-Y64 PolarHBondContact O-N 3.5Å; F62-Y64 PolarHBondContact O-N 2.87Å
65L75.5Confident72.9Confident16 Ų1631.7 Ų31.78%0.08417%0.166CC..SBendtrans-85148.1179-65.2-177.4000110.8A14 V17 N18 F62 L70 C73A14-L65 HydrophobicContact CB-CD2 4.12Å; V17-L65 HydrophobicContact CB-CD2 3.99Å; V17-L65 HydrophobicContact CG1-CD2 3.78Å; N18-L65 WeakPolarHBondContact OD1-CD2 3.29Å; F62-L65 HydrophobicContact CD1-CD1 3.57Å; F62-L65 HydrophobicContact CE1-CD1 4.1Å; F62-L65 HydrophobicContact CG-CD1 4.31Å; F62-L65 PolarHBondContact O-N 3.1Å; L65-L70 HydrophobicContact CB-CD2 4.13Å; L65-L70 HydrophobicContact CB-CG 3.96Å; L65-L70 HydrophobicContact CD1-CD2 4.47Å; L65-C73 WeakPolarHBondContact CD1-SG 3.49Å
66D73.6Confident73.3Confident59 Ų5931 Ų3132%0.31616%0.158SC..  trans-73.7170.1170.162.841.2000112.1N18 V68 S69 L70N18-D66 PolarHBondContact OD1-N 3.14Å; D66-V68 VanDerWaalsContact C-N 3.28Å; D66-V68 PolarHBondContact O-N 3.19Å; D66-V68 PolarHBondContact OD1-N 3.25Å; D66-S69 PolarHBondContact O-N 3.14Å; D66-S69 WeakPolarHBondContact OD1-CB 3.5Å; D66-S69 PolarHBondContact OD1-N 3.27Å; D66-S69 PolarHBondContact OD1-OG 3.46Å; D66-L70 WeakPolarHBondContact O-CB 3.45Å; D66-L70 WeakPolarHBondContact O-CG 3.4Å; D66-L70 PolarHBondContact O-N 3.45Å
67I73.2Confident73.9Confident25 Ų2529.2 Ų29.213%0.12815%0.149CC..Hα-helixtrans-56.5-41.9-178.8-68.9154.9000112.1L70 C71 W90 V93 D94 L95 F98I67-L70 PolarHBondContact O-N 3.22Å; I67-C71 WeakPolarHBondContact O-CB 3.26Å; I67-C71 PolarHBondContact O-N 3.06Å; I67-C71 PolarHBondContact O-SG 3.42Å; I67-W90 HydrophobicContact CB-CZ3 4.19Å; I67-W90 HydrophobicContact CG1-CZ3 4.01Å; I67-W90 HydrophobicContact CG2-CH2 3.97Å; I67-W90 HydrophobicContact CG2-CZ3 3.65Å; I67-V93 HydrophobicContact CD1-CB 4.18Å; I67-V93 HydrophobicContact CD1-CG1 3.66Å; I67-V93 HydrophobicContact CG1-CG1 4.43Å; I67-D94 WeakPolarHBondContact CD1-O 3.47Å; I67-L95 HydrophobicContact CD1-CD2 4.24Å; I67-F98 HydrophobicContact CG2-CE2 4.13Å; I67-F98 HydrophobicContact CG2-CZ 4.35Å
68V72.6Confident74Confident25 Ų2539 Ų3915%0.15218%0.184CC..Hα-helixtrans-64-47.8-178.3178.50000109.1D66 C71 R72 F98D66-V68 VanDerWaalsContact C-N 3.28Å; D66-V68 PolarHBondContact O-N 3.19Å; D66-V68 PolarHBondContact OD1-N 3.25Å; V68-C71 WeakPolarHBondContact O-CB 3.48Å; V68-C71 PolarHBondContact O-N 3.39Å; V68-R72 WeakPolarHBondContact O-CG 3.47Å; V68-R72 PolarHBondContact O-N 2.68Å; V68-F98 HydrophobicContact CG2-CE1 4.21Å; V68-F98 HydrophobicContact CG2-CE2 4.28Å; V68-F98 HydrophobicContact CG2-CZ 3.48Å; V68-F98 VanDerWaalsContact CG2-CZ 3.48Å
69S76.4Confident74.1Confident0 Ų043.1 Ų43.10%021%0.209CC..Hα-helixtrans-66.8-40.8-179.1-60.70000111.2N18 D66 R72 C73N18-S69 PolarHBondContact OD1-OG 3.3Å; D66-S69 PolarHBondContact O-N 3.14Å; D66-S69 WeakPolarHBondContact OD1-CB 3.5Å; D66-S69 PolarHBondContact OD1-N 3.27Å; D66-S69 PolarHBondContact OD1-OG 3.46Å; S69-R72 PolarHBondContact O-N 2.82Å; S69-C73 WeakPolarHBondContact O-CB 3.32Å; S69-C73 PolarHBondContact O-N 3.48Å; S69-C73 PolarHBondContact O-SG 3.15Å
70L76.5Confident74.5Confident3 Ų341.5 Ų41.52%0.01620%0.201CC..Hα-helixtrans-60.3-44.8171.5-76.5171.8000111.8F62 L65 D66 I67 R72 C73 A74 A84 N89 W90F62-L70 HydrophobicContact CB-CD2 3.85Å; F62-L70 HydrophobicContact CG-CD2 4.24Å; L65-L70 HydrophobicContact CB-CD2 4.13Å; L65-L70 HydrophobicContact CB-CG 3.96Å; L65-L70 HydrophobicContact CD1-CD2 4.47Å; D66-L70 WeakPolarHBondContact O-CB 3.45Å; D66-L70 WeakPolarHBondContact O-CG 3.4Å; D66-L70 PolarHBondContact O-N 3.45Å; I67-L70 PolarHBondContact O-N 3.22Å; L70-R72 VanDerWaalsContact C-N 3.3Å; L70-R72 PolarHBondContact O-N 3.11Å; L70-C73 PolarHBondContact O-N 3.06Å; L70-A74 WeakPolarHBondContact O-CB 3.49Å; L70-A74 PolarHBondContact O-N 3.18Å; L70-A84 HydrophobicContact CD2-CB 4.29Å; L70-N89 HydrophobicContact CD1-CB 4Å; L70-N89 HydrophobicContact CD2-CB 4.21Å; L70-W90 HydrophobicContact CB-CH2 4.12Å; L70-W90 HydrophobicContact CB-CZ2 3.71Å; L70-W90 HydrophobicContact CD1-CZ2 4.18Å
71C73.5Confident74.5Confident11 Ų1139.3 Ų39.37%0.07420%0.198CC..Hα-helixtrans-58.8-42.3175-72.70000111.8I67 V68 A74 Q75I67-C71 WeakPolarHBondContact O-CB 3.26Å; I67-C71 PolarHBondContact O-N 3.06Å; I67-C71 PolarHBondContact O-SG 3.42Å; V68-C71 WeakPolarHBondContact O-CB 3.48Å; V68-C71 PolarHBondContact O-N 3.39Å; C71-A74 PolarHBondContact O-N 3.24Å; C71-Q75 WeakPolarHBondContact O-CG 3.5Å
72R71.8Confident74.3Confident27 Ų2744 Ų4410%0.10223%0.226CC..Hα-helixtrans-70.3-41.1178.1-67.3178-172.4-177.710112.3A21 L34 V68 S69 L70 A74 Q75A21-R72 VanDerWaalsContact CA-NH1 3.3Å; A21-R72 PolarHBondContact O-NH1 2.74Å; A21-R72 PolarHBondContact O-NH2 3.04Å; L34-R72 HydrophobicContact CD1-CB 3.74Å; V68-R72 WeakPolarHBondContact O-CG 3.47Å; V68-R72 PolarHBondContact O-N 2.68Å; S69-R72 PolarHBondContact O-N 2.82Å; L70-R72 VanDerWaalsContact C-N 3.3Å; L70-R72 PolarHBondContact O-N 3.11Å; R72-A74 VanDerWaalsContact C-N 3.26Å; R72-A74 PolarHBondContact O-N 3.11Å; R72-Q75 WeakPolarHBondContact O-CB 3.21Å; R72-Q75 PolarHBondContact O-N 3.25Å; R72-Q75 VanDerWaalsContact O-N 3.07Å
73C74.7Confident74.1Confident3 Ų345.2 Ų45.22%0.0223%0.232CC..Hα-helixtrans-59-40.6173.2-76.90000111.2F62 L65 S69 L70 Q75 V76 W80 A84F62-C73 HydrophobicContact CE1-CB 3.96Å; F62-C73 HydrophobicContact CE2-CB 4.25Å; F62-C73 HydrophobicContact CZ-CB 3.72Å; L65-C73 WeakPolarHBondContact CD1-SG 3.49Å; S69-C73 WeakPolarHBondContact O-CB 3.32Å; S69-C73 PolarHBondContact O-N 3.48Å; S69-C73 PolarHBondContact O-SG 3.15Å; L70-C73 PolarHBondContact O-N 3.06Å; C73-Q75 PolarHBondContact O-N 3.09Å; C73-V76 WeakPolarHBondContact O-CB 3.37Å; C73-V76 WeakPolarHBondContact O-CG2 3.31Å; C73-V76 PolarHBondContact O-N 3.01Å; C73-V76 VanDerWaalsContact O-N 3.09Å; C73-W80 HydrophobicContact CB-CE3 3.99Å; C73-W80 HydrophobicContact CB-CZ3 4.26Å; C73-W80 WeakPolarHBondContact O-CB 3.18Å; C73-A84 HydrophobicContact CB-CB 4.2Å
74A71.3Confident74.1Confident10 Ų1043 Ų438%0.08322%0.217CC..THydrogen-bonded Turntrans-62.2-16.4178.100000113.4L70 C71 R72 N81 A84 L85L70-A74 WeakPolarHBondContact O-CB 3.49Å; L70-A74 PolarHBondContact O-N 3.18Å; C71-A74 PolarHBondContact O-N 3.24Å; R72-A74 VanDerWaalsContact C-N 3.26Å; R72-A74 PolarHBondContact O-N 3.11Å; A74-N81 VanDerWaalsContact O-CB 3.26Å; A74-N81 WeakPolarHBondContact O-CB 3.46Å; A74-N81 PolarHBondContact O-ND2 3.14Å; A74-A84 HydrophobicContact CB-CB 3.85Å; A74-L85 HydrophobicContact CB-CD2 4.49Å; A74-L85 HydrophobicContact CB-CG 4.34Å
75Q74.8Confident73.8Confident54 Ų5442.8 Ų42.825%0.25222%0.219SC..THydrogen-bonded Turntrans-91.4-14.6179.4-67.5178.5200113.6I30 N31 K33 C71 R72 C73I30-Q75 VanDerWaalsContact O-CD 3.25Å; I30-Q75 PolarHBondContact O-NE2 3.27Å; I30-Q75 PolarHBondContact O-OE1 3.37Å; N31-Q75 PolarHBondContact O-OE1 2.8Å; K33-Q75 WeakPolarHBondContact CE-O 3.13Å; K33-Q75 HydrophobicContact CG-CB 3.87Å; K33-Q75 WeakPolarHBondContact CG-O 3.25Å; C71-Q75 WeakPolarHBondContact O-CG 3.5Å; R72-Q75 WeakPolarHBondContact O-CB 3.21Å; R72-Q75 PolarHBondContact O-N 3.25Å; R72-Q75 VanDerWaalsContact O-N 3.07Å; C73-Q75 PolarHBondContact O-N 3.09Å
76V73.8Confident73.7Confident19 Ų1945 Ų4512%0.11523%0.231CC..THydrogen-bonded Turntrans-64.4-60.5-172.3175.30000111.2L34 L39 C73 W80L34-V76 HydrophobicContact CB-CG2 4.25Å; L39-V76 HydrophobicContact CD1-CB 4.23Å; L39-V76 HydrophobicContact CD1-CG1 3.52Å; L39-V76 HydrophobicContact CD1-CG2 3.7Å; C73-V76 WeakPolarHBondContact O-CB 3.37Å; C73-V76 WeakPolarHBondContact O-CG2 3.31Å; C73-V76 PolarHBondContact O-N 3.01Å; C73-V76 VanDerWaalsContact O-N 3.09Å; V76-W80 HydrophobicContact CB-CB 4.33Å; V76-W80 HydrophobicContact CB-CD2 4.17Å; V76-W80 HydrophobicContact CB-CE3 3.77Å; V76-W80 HydrophobicContact CB-CG 4.42Å; V76-W80 HydrophobicContact CG1-CD2 4.19Å; V76-W80 HydrophobicContact CG1-CE3 4.05Å; V76-W80 HydrophobicContact CG2-CE3 3.68Å; V76-W80 HydrophobicContact CG2-CZ3 4.15Å
77C76.5Confident73.4Confident53 Ų5342.4 Ų42.436%0.35822%0.218SC..  trans-151.8171.7-179.575.50000111.3T79 W80 N81C77-T79 PolarHBondContact O-N 3.07Å; C77-W80 PolarHBondContact O-N 3.08Å; C77-W80 PolarHBondContact SG-N 2.66Å; C77-W80 VanDerWaalsContact SG-N 3.43Å; C77-N81 WeakPolarHBondContact O-CB 2.85Å; C77-N81 PolarHBondContact O-N 3.25Å
78R71.2Confident73.5Confident230 Ų23042.7 Ų42.787%0.86822%0.223SC*.Hα-helixtrans-59.3-42.2-179.2-68.4-176.3-172.6159.52.4113.1N81 V82R78-N81 WeakPolarHBondContact O-CB 3.37Å; R78-N81 PolarHBondContact O-N 2.93Å; R78-V82 WeakPolarHBondContact O-CG2 3.21Å; R78-V82 PolarHBondContact O-N 2.74Å
79T75Confident73.6Confident90 Ų9042.4 Ų42.455%0.55222%0.22SC*.Hα-helixtrans-64.3-44.3179.2-50.90000111.2C77 N81 V82 L83C77-T79 PolarHBondContact O-N 3.07Å; T79-N81 VanDerWaalsContact C-N 3.33Å; T79-V82 PolarHBondContact O-N 3.25Å; T79-L83 HydrophobicContact CG2-CD1 4.17Å; T79-L83 WeakPolarHBondContact O-CG 3.4Å; T79-L83 PolarHBondContact O-N 3.5Å
80W76.2Confident73.7Confident29 Ų2942.5 Ų42.511%0.1122%0.22CC..Hα-helixtrans-68.8-34.6177.7-77.836000112L39 F43 V58 F62 C73 V76 C77 L83 A84L39-W80 HydrophobicContact CB-CH2 4.29Å; L39-W80 HydrophobicContact CD1-CE3 3.96Å; L39-W80 HydrophobicContact CD1-CH2 3.55Å; L39-W80 HydrophobicContact CD1-CZ2 4.16Å; L39-W80 HydrophobicContact CD1-CZ3 3.39Å; L39-W80 HydrophobicContact CD2-CH2 3.24Å; L39-W80 HydrophobicContact CD2-CZ2 4.21Å; L39-W80 HydrophobicContact CD2-CZ3 3.61Å; L39-W80 HydrophobicContact CG-CH2 3.85Å; L39-W80 HydrophobicContact CG-CZ3 4.08Å; F43-W80 HydrophobicContact CD1-CZ2 4.41Å; F43-W80 HydrophobicContact CD2-CH2 4.07Å; F43-W80 AromaticContact CD2-CZ2 3.85Å; F43-W80 HydrophobicContact CD2-CZ2 3.85Å; F43-W80 HydrophobicContact CE1-CZ2 4.22Å; F43-W80 AromaticContact CE2-CH2 3.51Å; F43-W80 HydrophobicContact CE2-CH2 3.51Å; F43-W80 AromaticContact CE2-CZ2 3.62Å; F43-W80 HydrophobicContact CE2-CZ2 3.62Å; F43-W80 HydrophobicContact CG-CZ2 4.24Å; F43-W80 AromaticContact CZ-CH2 3.87Å; F43-W80 HydrophobicContact CZ-CH2 3.87Å; F43-W80 AromaticContact CZ-CZ2 3.8Å; F43-W80 HydrophobicContact CZ-CZ2 3.8Å; V58-W80 HydrophobicContact CG1-CZ2 4.5Å; F62-W80 HydrophobicContact CE1-CD2 4.39Å; F62-W80 HydrophobicContact CE1-CE3 4.06Å; F62-W80 HydrophobicContact CE1-CH2 4.14Å; F62-W80 AromaticContact CE1-CZ3 3.92Å; F62-W80 HydrophobicContact CE1-CZ3 3.92Å; F62-W80 HydrophobicContact CE2-CB 4.42Å; F62-W80 HydrophobicContact CZ-CB 4.21Å; F62-W80 AromaticContact CZ-CD2 3.65Å; F62-W80 HydrophobicContact CZ-CD2 3.65Å; F62-W80 AromaticContact CZ-CE3 3.55Å; F62-W80 HydrophobicContact CZ-CE3 3.55Å; F62-W80 AromaticContact CZ-CG 3.99Å; F62-W80 HydrophobicContact CZ-CG 3.99Å; F62-W80 HydrophobicContact CZ-CH2 4.33Å; F62-W80 AromaticContact CZ-CZ3 3.91Å; F62-W80 HydrophobicContact CZ-CZ3 3.91Å; C73-W80 HydrophobicContact CB-CE3 3.99Å; C73-W80 HydrophobicContact CB-CZ3 4.26Å; C73-W80 WeakPolarHBondContact O-CB 3.18Å; V76-W80 HydrophobicContact CB-CB 4.33Å; V76-W80 HydrophobicContact CB-CD2 4.17Å; V76-W80 HydrophobicContact CB-CE3 3.77Å; V76-W80 HydrophobicContact CB-CG 4.42Å; V76-W80 HydrophobicContact CG1-CD2 4.19Å; V76-W80 HydrophobicContact CG1-CE3 4.05Å; V76-W80 HydrophobicContact CG2-CE3 3.68Å; V76-W80 HydrophobicContact CG2-CZ3 4.15Å; C77-W80 PolarHBondContact O-N 3.08Å; C77-W80 PolarHBondContact SG-N 2.66Å; C77-W80 VanDerWaalsContact SG-N 3.43Å; W80-L83 PolarHBondContact O-N 2.06Å; W80-A84 WeakPolarHBondContact O-CB 3.46Å; W80-A84 PolarHBondContact O-N 3.43Å
81N72.4Confident73.9Confident66 Ų6645.5 Ų45.535%0.35323%0.234SC..Hα-helixtrans-56.2-51.7170.6-173.2-97.1000111.1A74 C77 R78 T79 L83 L85A74-N81 VanDerWaalsContact O-CB 3.26Å; A74-N81 WeakPolarHBondContact O-CB 3.46Å; A74-N81 PolarHBondContact O-ND2 3.14Å; C77-N81 WeakPolarHBondContact O-CB 2.85Å; C77-N81 PolarHBondContact O-N 3.25Å; R78-N81 WeakPolarHBondContact O-CB 3.37Å; R78-N81 PolarHBondContact O-N 2.93Å; T79-N81 VanDerWaalsContact C-N 3.33Å; N81-L83 PolarHBondContact O-N 3.12Å; N81-L85 WeakPolarHBondContact O-CB 3.4Å; N81-L85 WeakPolarHBondContact O-CG 3.29Å; N81-L85 PolarHBondContact O-N 2.92Å; N81-L85 WeakPolarHBondContact OD1-CD1 3.29Å
82V72.3Confident74.4Confident102 Ų10249.7 Ų49.762%0.61826%0.256SS*.Hα-helixtrans-61.4-46.5177.8174.20000111.5R78 T79 L85 D86R78-V82 WeakPolarHBondContact O-CG2 3.21Å; R78-V82 PolarHBondContact O-N 2.74Å; T79-V82 PolarHBondContact O-N 3.25Å; V82-L85 PolarHBondContact O-N 3.49Å; V82-D86 PolarHBondContact O-N 3.41Å
83L74.5Confident74.9Confident27 Ų2748.6 Ų48.614%0.14125%0.252CS..Hα-helixtrans-68.8-40.5-178.2-67.8176.7000112.7A55 V58 F59 F62 T79 W80 N81 L85 D86 N89A55-L83 HydrophobicContact CB-CD1 4.47Å; V58-L83 HydrophobicContact CB-CD1 3.91Å; V58-L83 HydrophobicContact CG1-CD1 3.65Å; F59-L83 HydrophobicContact CB-CD2 4.34Å; F59-L83 HydrophobicContact CD2-CD2 4.46Å; F62-L83 HydrophobicContact CD2-CB 3.84Å; F62-L83 HydrophobicContact CE2-CB 3.72Å; T79-L83 HydrophobicContact CG2-CD1 4.17Å; T79-L83 WeakPolarHBondContact O-CG 3.4Å; T79-L83 PolarHBondContact O-N 3.5Å; W80-L83 PolarHBondContact O-N 2.06Å; N81-L83 PolarHBondContact O-N 3.12Å; L83-L85 VanDerWaalsContact C-N 3.34Å; L83-D86 WeakPolarHBondContact O-CB 3.48Å; L83-D86 PolarHBondContact O-N 3Å; L83-N89 PolarHBondContact O-ND2 3.18Å
84A74.2Confident75.2Confident0 Ų052.6 Ų52.60%027%0.273CS..Hα-helixtrans-72.4-31.7179.700000111.3F62 L70 C73 A74 W80 D86 W90F62-A84 VanDerWaalsContact CD2-CA 3.49Å; F62-A84 HydrophobicContact CD2-CB 3.8Å; F62-A84 HydrophobicContact CE2-CB 3.65Å; L70-A84 HydrophobicContact CD2-CB 4.29Å; C73-A84 HydrophobicContact CB-CB 4.2Å; A74-A84 HydrophobicContact CB-CB 3.85Å; W80-A84 WeakPolarHBondContact O-CB 3.46Å; W80-A84 PolarHBondContact O-N 3.43Å; A84-D86 VanDerWaalsContact C-N 3.31Å; A84-W90 PolarHBondContact O-NE1 3.5Å
85L70.8Confident75.5Confident50 Ų5052.5 Ų52.526%0.26227%0.271SS..THydrogen-bonded Turntrans-86.61.1175.7-64.7178.2000113.6A74 N81 V82 L83 G87 R130A74-L85 HydrophobicContact CB-CD2 4.49Å; A74-L85 HydrophobicContact CB-CG 4.34Å; N81-L85 WeakPolarHBondContact O-CB 3.4Å; N81-L85 WeakPolarHBondContact O-CG 3.29Å; N81-L85 PolarHBondContact O-N 2.92Å; N81-L85 WeakPolarHBondContact OD1-CD1 3.29Å; V82-L85 PolarHBondContact O-N 3.49Å; L83-L85 VanDerWaalsContact C-N 3.34Å; L85-G87 PolarHBondContact O-N 3.43Å; L85-G87 VanDerWaalsContact O-N 3.15Å; L85-R130 HydrophobicContact CD2-CG 4.13Å
86D72Confident75.5Confident62 Ų6254.3 Ų54.333%0.33228%0.279SS..  trans-60.3120.7169.4-172.4-73.1000108.9F59 V82 L83 A84 S88 N89F59-D86 HydrophobicContact CD2-CB 4.35Å; F59-D86 HydrophobicContact CE2-CB 3.77Å; F59-D86 VanDerWaalsContact CE2-CG 3.5Å; V82-D86 PolarHBondContact O-N 3.41Å; L83-D86 WeakPolarHBondContact O-CB 3.48Å; L83-D86 PolarHBondContact O-N 3Å; A84-D86 VanDerWaalsContact C-N 3.31Å; D86-S88 PolarHBondContact O-N 3.08Å; D86-S88 VanDerWaalsContact OD1-CB 3.24Å; D86-S88 WeakPolarHBondContact OD1-CB 3.34Å; D86-S88 PolarHBondContact OD1-N 3.47Å; D86-S88 PolarHBondContact OD1-OG 2.88Å; D86-N89 WeakPolarHBondContact O-CB 3.36Å; D86-N89 PolarHBondContact O-N 3Å
87G68.5Low75.3Confident4 Ų460.4 Ų60.44%0.04131%0.306CS..G310 helixtrans-64.8-17.7-169.100000113.8L85 N89 W90 F134L85-G87 PolarHBondContact O-N 3.43Å; L85-G87 VanDerWaalsContact O-N 3.15Å; G87-N89 PolarHBondContact O-N 3.17Å; G87-W90 CarbonylContact O-C 3.55Å; G87-W90 WeakPolarHBondContact O-CA 3.48Å; G87-W90 PolarHBondContact O-N 2.73Å; G87-F134 WeakPolarHBondContact O-CB 3.3Å
88S74.3Confident74.8Confident32 Ų3259.2 Ų59.222%0.22430%0.295CS..G310 helixtrans-61.5-24.5172.468.10000113.4F59 D86 W90 Q91F59-S88 VanDerWaalsContact CE2-OG 3.3Å; F59-S88 WeakPolarHBondContact CE2-OG 3.26Å; F59-S88 WeakPolarHBondContact CZ-OG 3.11Å; D86-S88 PolarHBondContact O-N 3.08Å; D86-S88 VanDerWaalsContact OD1-CB 3.24Å; D86-S88 WeakPolarHBondContact OD1-CB 3.34Å; D86-S88 PolarHBondContact OD1-N 3.47Å; D86-S88 PolarHBondContact OD1-OG 2.88Å; S88-W90 VanDerWaalsContact C-N 3.28Å; S88-Q91 WeakPolarHBondContact O-CG 3.25Å; S88-Q91 PolarHBondContact O-NE2 3.42Å
89N74.1Confident74.6Confident19 Ų1951.2 Ų51.210%0.10227%0.267CS..G310 helixtrans-76.6-15.7172.6-65.7-43000112.8S63 L70 L83 D86 G87S63-N89 VanDerWaalsContact CA-OD1 3.24Å; S63-N89 WeakPolarHBondContact CA-OD1 3.29Å; S63-N89 PolarHBondContact N-OD1 3.36Å; L70-N89 HydrophobicContact CD1-CB 4Å; L70-N89 HydrophobicContact CD2-CB 4.21Å; L83-N89 PolarHBondContact O-ND2 3.18Å; D86-N89 WeakPolarHBondContact O-CB 3.36Å; D86-N89 PolarHBondContact O-N 3Å; G87-N89 PolarHBondContact O-N 3.17Å
90W79.2Confident74.1Confident1 Ų154.8 Ų54.80%0.00428%0.275CS..G310 helixtrans-109.623.9-174.9-60.985.8000112.8I67 L70 A84 G87 S88 N92 V93 L127 C131 L135I67-W90 HydrophobicContact CB-CZ3 4.19Å; I67-W90 HydrophobicContact CG1-CZ3 4.01Å; I67-W90 HydrophobicContact CG2-CH2 3.97Å; I67-W90 HydrophobicContact CG2-CZ3 3.65Å; L70-W90 HydrophobicContact CB-CH2 4.12Å; L70-W90 HydrophobicContact CB-CZ2 3.71Å; L70-W90 HydrophobicContact CD1-CZ2 4.18Å; A84-W90 PolarHBondContact O-NE1 3.5Å; G87-W90 CarbonylContact O-C 3.55Å; G87-W90 WeakPolarHBondContact O-CA 3.48Å; G87-W90 PolarHBondContact O-N 2.73Å; S88-W90 VanDerWaalsContact C-N 3.28Å; W90-N92 PolarHBondContact O-N 2.93Å; W90-V93 HydrophobicContact CE3-CG2 3.95Å; W90-L127 HydrophobicContact CE3-CD1 3.97Å; W90-L127 HydrophobicContact CZ3-CD1 3.65Å; W90-C131 HydrophobicContact CB-CB 4.11Å; W90-L135 VanDerWaalsContact O-CD1 3.23Å; W90-L135 WeakPolarHBondContact O-CD1 3.39Å
91Q81.4Confident73.3Confident67 Ų6756.7 Ų56.731%0.31329%0.287SS..SBendtrans-66.1-29.1176.6-72.21786600112.3S88 F134 K136 K137S88-Q91 WeakPolarHBondContact O-CG 3.25Å; S88-Q91 PolarHBondContact O-NE2 3.42Å; Q91-F134 WeakPolarHBondContact CA-O 3.42Å; Q91-F134 HydrophobicContact CG-CB 4.43Å; Q91-F134 WeakPolarHBondContact CG-O 3.47Å; Q91-K136 PolarHBondContact O-N 3.09Å; Q91-K137 PolarHBondContact O-N 3.29Å
92N83.3Confident72.7Confident99 Ų9953.7 Ų53.753%0.52927%0.271SS..EExtended strand (participates in β ladder)trans-126.3117.6-180-51.4-60.1000109.1W90 K137W90-N92 PolarHBondContact O-N 2.93Å; N92-K137 CarbonylContact C-O 3.18Å; N92-K137 WeakPolarHBondContact CA-O 3.24Å; N92-K137 HydrophobicContact CB-CB 4.37Å; N92-K137 WeakPolarHBondContact OD1-CB 3.22Å; N92-K137 WeakPolarHBondContact OD1-CD 3.43Å; N92-K137 WeakPolarHBondContact OD1-CG 3.4Å
93V82.2Confident71.8Confident4 Ų456 Ų562%0.02427%0.273CS..EExtended strand (participates in β ladder)trans-127.1122.5-179.2173.20000109.7I67 W90 L95 L127 L135 K137 L138 S139I67-V93 HydrophobicContact CD1-CB 4.18Å; I67-V93 HydrophobicContact CD1-CG1 3.66Å; I67-V93 HydrophobicContact CG1-CG1 4.43Å; W90-V93 HydrophobicContact CE3-CG2 3.95Å; V93-L95 HydrophobicContact CG1-CD2 3.79Å; V93-L95 HydrophobicContact CG1-CG 3.94Å; V93-L127 HydrophobicContact CG1-CD2 3.94Å; V93-L135 HydrophobicContact CB-CD1 3.8Å; V93-L135 HydrophobicContact CG2-CD1 3.54Å; V93-K137 PolarHBondContact N-O 3.42Å; V93-L138 HydrophobicContact CB-CD1 4.09Å; V93-L138 HydrophobicContact CG1-CD1 3.9Å; V93-L138 CarbonylContact O-C 3.59Å; V93-L138 WeakPolarHBondContact O-CA 3.25Å; V93-S139 PolarHBondContact O-N 3.22Å
94D81.9Confident70.6Confident86 Ų8656.4 Ų56.446%0.4628%0.277SS..EExtended strand (participates in β ladder)trans-118.6121.5171.2-173.65.6000110.3I67 F96 S139I67-D94 WeakPolarHBondContact CD1-O 3.47Å; D94-F96 PolarHBondContact OD1-N 2.85Å; D94-F96 VanDerWaalsContact OD1-N 3.11Å; D94-S139 VanDerWaalsContact OD1-CB 3.29Å; D94-S139 WeakPolarHBondContact OD1-CB 3.21Å; D94-S139 PolarHBondContact OD1-OG 3.12Å
95L77.4Confident69Low8 Ų860.2 Ų60.24%0.04230%0.303CS..  trans-104.712.8-176.7-58.5-177.6000114.2I67 V93 Q97 F98 Q99 I102 L127 S139 L140I67-L95 HydrophobicContact CD1-CD2 4.24Å; V93-L95 HydrophobicContact CG1-CD2 3.79Å; V93-L95 HydrophobicContact CG1-CG 3.94Å; L95-Q97 PolarHBondContact O-N 3.44Å; L95-Q97 VanDerWaalsContact O-N 3.13Å; L95-F98 HydrophobicContact CB-CD2 4.34Å; L95-F98 HydrophobicContact CD2-CD2 3.72Å; L95-F98 HydrophobicContact CD2-CE2 4.12Å; L95-F98 CarbonylContact O-C 3.58Å; L95-F98 WeakPolarHBondContact O-CA 3.47Å; L95-F98 PolarHBondContact O-N 3.42Å; L95-Q99 PolarHBondContact O-N 3.04Å; L95-I102 HydrophobicContact CB-CD1 3.68Å; L95-I102 HydrophobicContact CD1-CD1 3.57Å; L95-I102 HydrophobicContact CG-CD1 4.21Å; L95-L127 HydrophobicContact CD1-CD2 3.45Å; L95-L127 VanDerWaalsContact CD1-CD2 3.45Å; L95-L127 HydrophobicContact CD2-CD2 3.74Å; L95-L127 HydrophobicContact CG-CD2 4.11Å; L95-S139 PolarHBondContact N-O 3.24Å; L95-L140 HydrophobicContact CB-CD2 4.1Å; L95-L140 HydrophobicContact CD1-CD2 3.47Å; L95-L140 VanDerWaalsContact CD1-CD2 3.47Å; L95-L140 HydrophobicContact CG-CD2 4.09Å
96F74.7Confident67.3Low93 Ų9363.1 Ų63.141%0.40833%0.326SS..G310 helixtrans-51.1-39.7178.8-179.1-103.9000113.2D94 F98 Q99 R141D94-F96 PolarHBondContact OD1-N 2.85Å; D94-F96 VanDerWaalsContact OD1-N 3.11Å; F96-F98 PolarHBondContact O-N 3.35Å; F96-Q99 WeakPolarHBondContact O-CB 3.19Å; F96-Q99 VanDerWaalsContact O-CG 3.28Å; F96-Q99 WeakPolarHBondContact O-CG 3.23Å; F96-Q99 PolarHBondContact O-N 3.38Å; F96-R141 HydrophobicContact CD2-CG 4.29Å; F96-R141 WeakPolarHBondContact CD2-O 3.3Å
97Q69Low65.5Low147 Ų14761.9 Ų61.969%0.68733%0.325SS*.G310 helixtrans-66.5-23.6177.9-65.8-173.7-0.900113.4L95L95-Q97 PolarHBondContact O-N 3.44Å; L95-Q97 VanDerWaalsContact O-N 3.13Å
98F66.4Low63.9Low28 Ų2871.7 Ų71.712%0.12337%0.367CS..G310 helixtrans-102.313.1-178.4-51.7-79.5000113.1I30 I67 V68 L95 F96 K100 D101 I102I30-F98 HydrophobicContact CD1-CE1 4.19Å; I30-F98 HydrophobicContact CG1-CE1 4.49Å; I67-F98 HydrophobicContact CG2-CE2 4.13Å; I67-F98 HydrophobicContact CG2-CZ 4.35Å; V68-F98 HydrophobicContact CG2-CE1 4.21Å; V68-F98 HydrophobicContact CG2-CE2 4.28Å; V68-F98 HydrophobicContact CG2-CZ 3.48Å; V68-F98 VanDerWaalsContact CG2-CZ 3.48Å; L95-F98 HydrophobicContact CB-CD2 4.34Å; L95-F98 HydrophobicContact CD2-CD2 3.72Å; L95-F98 HydrophobicContact CD2-CE2 4.12Å; L95-F98 CarbonylContact O-C 3.58Å; L95-F98 WeakPolarHBondContact O-CA 3.47Å; L95-F98 PolarHBondContact O-N 3.42Å; F96-F98 PolarHBondContact O-N 3.35Å; F98-K100 PolarHBondContact O-N 3.06Å; F98-D101 PolarHBondContact O-N 3.2Å; F98-I102 HydrophobicContact CB-CD1 4.31Å; F98-I102 HydrophobicContact CB-CG1 4.47Å; F98-I102 PolarHBondContact O-N 2.85Å
99Q66.4Low61.8Low62 Ų6278.1 Ų78.129%0.2940%0.398SS..THydrogen-bonded Turntrans-54.3-25.3-175.963.9-174.6-36.500114.3L95 F96 G142 C143L95-Q99 PolarHBondContact O-N 3.04Å; F96-Q99 WeakPolarHBondContact O-CB 3.19Å; F96-Q99 VanDerWaalsContact O-CG 3.28Å; F96-Q99 WeakPolarHBondContact O-CG 3.23Å; F96-Q99 PolarHBondContact O-N 3.38Å; Q99-G142 PolarHBondContact OE1-O 3.27Å; Q99-G142 VanDerWaalsContact OE1-O 3.08Å; Q99-C143 HydrophobicContact CB-CB 4.49Å
100K63.8Low59.7Low164 Ų16486.9 Ų86.971%0.71344%0.435SS*.THydrogen-bonded Turntrans-84-26.4176.8-63.6-177.1-177.5176.10113.6F98F98-K100 PolarHBondContact O-N 3.06Å
101D60.3Low57.2Low69 Ų6992 Ų9237%0.36947%0.47SS..THydrogen-bonded Turntrans-90.2-21.1-174.3-60.2-38.6000112.8F98 K103F98-D101 PolarHBondContact O-N 3.2Å; D101-K103 PolarHBondContact O-N 2.97Å
102I59Low54.7Low3 Ų397.1 Ų97.12%0.01550%0.499CS..  trans-78.764.2175.4-57.4165.1000108.8L95 F98 V124 S145 V146L95-I102 HydrophobicContact CB-CD1 3.68Å; L95-I102 HydrophobicContact CD1-CD1 3.57Å; L95-I102 HydrophobicContact CG-CD1 4.21Å; F98-I102 HydrophobicContact CB-CD1 4.31Å; F98-I102 HydrophobicContact CB-CG1 4.47Å; F98-I102 PolarHBondContact O-N 2.85Å; I102-V124 HydrophobicContact CG2-CG2 3.67Å; I102-S145 WeakPolarHBondContact O-CB 3.32Å; I102-V146 HydrophobicContact CG2-CB 4.29Å; I102-V146 HydrophobicContact CG2-CG2 4.13Å
103K55Low52.3Low150 Ų150100 Ų10065%0.65251%0.509SS*.  trans-94.7118.3157.5-66.9-178.5-176177.10106D101 S105D101-K103 PolarHBondContact O-N 2.97Å; K103-S105 PolarHBondContact O-N 3.42Å
104V49.4Very low49.8Very low37 Ų37106.4 Ų106.422%0.22454%0.542CS..  trans-60.6113.6164.8-178.70000105.7C106 Q147 A150V104-C106 PolarHBondContact O-N 3.46Å; V104-Q147 HydrophobicContact CG2-CB 4.42Å; V104-A150 HydrophobicContact CG2-CB 3.68Å
105S40.6Very low47.4Very low80 Ų80109.5 Ų109.556%0.55956%0.558SS**  trans-58.7105.6171-176.90000107.3K103 A107K103-S105 PolarHBondContact O-N 3.42Å; S105-A107 VanDerWaalsContact C-N 3.34Å; S105-A107 PolarHBondContact O-N 3.25Å
106C34.4Very low45.1Very low110 Ų110114.7 Ų114.774%0.74360%0.596SS**  trans-61.897.6167.2-75.10000107.7V104V104-C106 PolarHBondContact O-N 3.46Å
107A35.2Very low42.7Very low37 Ų37119.7 Ų119.731%0.30662%0.617SS.*  trans-123.530.2172.200000113.2S105 F119S105-A107 VanDerWaalsContact C-N 3.34Å; S105-A107 PolarHBondContact O-N 3.25Å; A107-F119 HydrophobicContact CB-CD2 4.48Å; A107-F119 HydrophobicContact CB-CE1 4.36Å; A107-F119 HydrophobicContact CB-CE2 3.18Å; A107-F119 HydrophobicContact CB-CZ 3.11Å
108F33.2Very low40.8Very low210 Ų210118 Ų11892%0.92162%0.619SS**SBendtrans-87.3-13.4168.9-122-88.3000113.5
109L30.7Very low39.1Very low166 Ų166123 Ų12387%0.86964%0.641SS**SBendtrans-117.24.9-170-86.1169.6000117.7
110F30Very low37.5Very low203 Ų203128.8 Ų128.889%0.8967%0.665SS**SBendtrans-135.48.7178.1-128.8-93.9000117.6
111C26.9Very low36.7Very low109 Ų109122 Ų12274%0.73664%0.64SS**  trans-106.448.1178.7-124.90000113Q113C111-Q113 VanDerWaalsContact C-N 3.3Å
112L29.6Very low36.8Very low175 Ų175120.2 Ų120.292%0.91663%0.633SS**  trans-86.75.9163.1-97.6175.6000113.5
113Q32.7Very low37.2Very low158 Ų158123.9 Ų123.974%0.73866%0.655SS**SBendtrans-134.3113.7177.2-94.2165-45.100113.3C111C111-Q113 VanDerWaalsContact C-N 3.3Å
114I29.5Very low37.9Very low140 Ų140117 Ų11772%0.71863%0.626SS**  trans78.699.2142.8-52.2173.6000116.4
115N31.3Very low38.7Very low150 Ų150118.1 Ų118.180%0.80263%0.628SS**  trans50.592.9142.7-64-54.6000119
116S28.7Very low40.1Very low118 Ų118117 Ų11783%0.82562%0.616SS**  65.467.3123.1-1600000117.9
117F25.4Very low42Very low197 Ų197112.3 Ų112.386%0.86458%0.584SS**  trans-116.2128.5145.2-133.4-96.7000107.8F119F117-F119 PolarHBondContact O-N 2.99Å
118P27.5Very low44Very low111 Ų111110.6 Ų110.672%0.72157%0.569SS**  trans-60.2114.7-17323.8-31.2000108.5K120P118-K120 PolarHBondContact O-N 3.35Å
119F31.1Very low45.8Very low134 Ų134106 Ų10659%0.58855%0.549SS*.  trans-47.3109.8-176.8-167.4-98.7000109.3A107 F117 A121A107-F119 HydrophobicContact CB-CD2 4.48Å; A107-F119 HydrophobicContact CB-CE1 4.36Å; A107-F119 HydrophobicContact CB-CE2 3.18Å; A107-F119 HydrophobicContact CB-CZ 3.11Å; F117-F119 PolarHBondContact O-N 2.99Å; F119-A121 PolarHBondContact O-N 3.24Å
120K32.5Very low47.8Very low184 Ų184103 Ų10380%0.853%0.526SS*.  trans-64102.2-175.4-149.8178.3-169.9178.80106.6P118 S122P118-K120 PolarHBondContact O-N 3.35Å; K120-S122 PolarHBondContact O-N 3.11Å
121A47.4Very low49.8Very low22 Ų2293.4 Ų93.418%0.18248%0.484CS..  trans-46136.1-179.700000109.6F119 E125 N126F119-A121 PolarHBondContact O-N 3.24Å; A121-E125 HydrophobicContact CB-CB 4.39Å; A121-E125 HydrophobicContact CB-CG 4.5Å; A121-N126 PolarHBondContact O-ND2 3.15Å
122S62.7Low51.9Low31 Ų3188.6 Ų88.622%0.21745%0.453CS..  trans-56.3152.9-177.768.20000110.3K120 V124 E125 N126K120-S122 PolarHBondContact O-N 3.11Å; S122-V124 PolarHBondContact O-N 2.92Å; S122-V124 VanDerWaalsContact O-N 3.14Å; S122-E125 PolarHBondContact O-N 3.5Å; S122-E125 WeakPolarHBondContact OG-CB 3.27Å; S122-E125 PolarHBondContact OG-N 3.5Å; S122-E125 VanDerWaalsContact OG-N 3.13Å; S122-N126 PolarHBondContact O-N 3.38Å; S122-N126 PolarHBondContact O-ND2 3.34Å
123V67.1Low54Low79 Ų7982.4 Ų82.448%0.47943%0.431SS..Hα-helixtrans-51.8-39.4177.2176.30000110.4L127V123-L127 VanDerWaalsContact O-CB 3.24Å; V123-L127 WeakPolarHBondContact O-CB 3.38Å; V123-L127 PolarHBondContact O-N 2.68Å
124V69.5Low56.3Low6 Ų679.7 Ų79.74%0.03642%0.417CS..Hα-helixtrans-60-51174.2169.40000112.3I102 S122 N126 L127 A128 A150 F154I102-V124 HydrophobicContact CG2-CG2 3.67Å; S122-V124 PolarHBondContact O-N 2.92Å; S122-V124 VanDerWaalsContact O-N 3.14Å; V124-N126 VanDerWaalsContact C-N 3.34Å; V124-N126 PolarHBondContact O-N 3.36Å; V124-L127 PolarHBondContact O-N 2.87Å; V124-A128 VanDerWaalsContact O-CB 3.27Å; V124-A128 WeakPolarHBondContact O-CB 3.32Å; V124-A128 PolarHBondContact O-N 2.99Å; V124-A150 HydrophobicContact CB-CB 4.37Å; V124-A150 HydrophobicContact CG1-CB 3.8Å; V124-A150 HydrophobicContact CG2-CB 4.06Å; V124-F154 HydrophobicContact CB-CE2 4.29Å; V124-F154 HydrophobicContact CG1-CD2 3.87Å; V124-F154 HydrophobicContact CG1-CE2 3.45Å; V124-F154 VanDerWaalsContact CG1-CE2 3.45Å; V124-F154 HydrophobicContact CG1-CZ 3.96Å; V124-F154 HydrophobicContact CG2-CE2 4.26Å
125E67.6Low58.9Low61 Ų6173 Ų7329%0.28538%0.383SS..Hα-helixtrans-65.5-40.4-177.5-171.8-174.5173.400111.6A121 S122 L127 K129 T153A121-E125 HydrophobicContact CB-CB 4.39Å; A121-E125 HydrophobicContact CB-CG 4.5Å; S122-E125 PolarHBondContact O-N 3.5Å; S122-E125 WeakPolarHBondContact OG-CB 3.27Å; S122-E125 PolarHBondContact OG-N 3.5Å; S122-E125 VanDerWaalsContact OG-N 3.13Å; E125-L127 VanDerWaalsContact C-N 3.34Å; E125-K129 HydrophobicContact CG-CD 4.28Å; E125-K129 WeakPolarHBondContact O-CB 3.23Å; E125-K129 VanDerWaalsContact O-CG 3.26Å; E125-K129 WeakPolarHBondContact O-CG 3.12Å; E125-K129 PolarHBondContact O-N 3.44Å; E125-K129 WeakPolarHBondContact OE1-CE 3.34Å; E125-K129 IonicContact OE1-NZ 2.66Å; E125-K129 PolarHBondContact OE1-NZ 2.96Å; E125-T153 HydrophobicContact CB-CG2 4.31Å; E125-T153 HydrophobicContact CG-CG2 4.2Å
126N68.8Low61.8Low56 Ų5669.5 Ų69.530%0.29936%0.36SS..Hα-helixtrans-62.8-42.8174.2-78.5-43.8000111.4A121 S122 V124 R130A121-N126 PolarHBondContact O-ND2 3.15Å; S122-N126 PolarHBondContact O-N 3.38Å; S122-N126 PolarHBondContact O-ND2 3.34Å; V124-N126 VanDerWaalsContact C-N 3.34Å; V124-N126 PolarHBondContact O-N 3.36Å; N126-R130 WeakPolarHBondContact O-CB 3.46Å; N126-R130 WeakPolarHBondContact O-CD 3.29Å; N126-R130 WeakPolarHBondContact O-CG 3.24Å; N126-R130 PolarHBondContact O-N 3.34Å; N126-R130 VanDerWaalsContact O-N 3.08Å
127L75.2Confident64.8Low12 Ų1267.7 Ų67.76%0.06334%0.338CS..Hα-helixtrans-67.6-48.6178.7-17067.4000111.3W90 V93 L95 V123 V124 E125 K129 R130 C131 F154W90-L127 HydrophobicContact CE3-CD1 3.97Å; W90-L127 HydrophobicContact CZ3-CD1 3.65Å; V93-L127 HydrophobicContact CG1-CD2 3.94Å; L95-L127 HydrophobicContact CD1-CD2 3.45Å; L95-L127 VanDerWaalsContact CD1-CD2 3.45Å; L95-L127 HydrophobicContact CD2-CD2 3.74Å; L95-L127 HydrophobicContact CG-CD2 4.11Å; V123-L127 VanDerWaalsContact O-CB 3.24Å; V123-L127 WeakPolarHBondContact O-CB 3.38Å; V123-L127 PolarHBondContact O-N 2.68Å; V124-L127 PolarHBondContact O-N 2.87Å; E125-L127 VanDerWaalsContact C-N 3.34Å; L127-K129 VanDerWaalsContact C-N 3.3Å; L127-K129 PolarHBondContact O-N 2.58Å; L127-R130 WeakPolarHBondContact O-CB 3.46Å; L127-R130 PolarHBondContact O-N 3.37Å; L127-C131 PolarHBondContact O-N 3.26Å; L127-C131 PolarHBondContact O-SG 3.48Å; L127-F154 HydrophobicContact CB-CE1 4.47Å; L127-F154 HydrophobicContact CB-CZ 4.45Å; L127-F154 HydrophobicContact CD2-CE1 4.29Å; L127-F154 HydrophobicContact CD2-CZ 4.03Å; L127-F154 HydrophobicContact CG-CE1 4.35Å; L127-F154 HydrophobicContact CG-CZ 4.47Å
128A76Confident68Low0 Ų058.5 Ų58.50%030%0.297CS..Hα-helixtrans-57.7-41.5176.800000112V124 R130 G132 T153 F154 K157V124-A128 VanDerWaalsContact O-CB 3.27Å; V124-A128 WeakPolarHBondContact O-CB 3.32Å; V124-A128 PolarHBondContact O-N 2.99Å; A128-R130 VanDerWaalsContact C-N 3.35Å; A128-R130 PolarHBondContact O-N 2.9Å; A128-G132 WeakPolarHBondContact O-CA 3.46Å; A128-G132 PolarHBondContact O-N 3.4Å; A128-T153 HydrophobicContact CB-CG2 3.93Å; A128-F154 HydrophobicContact CB-CD1 3.65Å; A128-F154 HydrophobicContact CB-CE1 3.83Å; A128-F154 HydrophobicContact CB-CG 4.29Å; A128-K157 HydrophobicContact CB-CB 4.2Å; A128-K157 HydrophobicContact CB-CG 4.49Å
129K72.3Confident71Confident113 Ų11354 Ų5449%0.49127%0.269SS..Hα-helixtrans-64.1-37.5174.5-77.2176.1-175.6169.30112.6E125 L127E125-K129 HydrophobicContact CG-CD 4.28Å; E125-K129 WeakPolarHBondContact O-CB 3.23Å; E125-K129 VanDerWaalsContact O-CG 3.26Å; E125-K129 WeakPolarHBondContact O-CG 3.12Å; E125-K129 PolarHBondContact O-N 3.44Å; E125-K129 WeakPolarHBondContact OE1-CE 3.34Å; E125-K129 IonicContact OE1-NZ 2.66Å; E125-K129 PolarHBondContact OE1-NZ 2.96Å; L127-K129 VanDerWaalsContact C-N 3.3Å; L127-K129 PolarHBondContact O-N 2.58Å
130R71.5Confident73.7Confident105 Ų10547.7 Ų47.740%0.39624%0.241SC..Hα-helixtrans-72.6-40.1179.4-71.8167.3-172.1-173.53.6112.3L85 N126 L127 A128L85-R130 HydrophobicContact CD2-CG 4.13Å; N126-R130 WeakPolarHBondContact O-CB 3.46Å; N126-R130 WeakPolarHBondContact O-CD 3.29Å; N126-R130 WeakPolarHBondContact O-CG 3.24Å; N126-R130 PolarHBondContact O-N 3.34Å; N126-R130 VanDerWaalsContact O-N 3.08Å; L127-R130 WeakPolarHBondContact O-CB 3.46Å; L127-R130 PolarHBondContact O-N 3.37Å; A128-R130 VanDerWaalsContact C-N 3.35Å; A128-R130 PolarHBondContact O-N 2.9Å
131C72.7Confident76.3Confident0 Ų044.2 Ų44.20%022%0.223CC..Hα-helixtrans-93.5-10.8-173.1-46.20000113.3W90 L127 G133 F134 L135W90-C131 HydrophobicContact CB-CB 4.11Å; L127-C131 PolarHBondContact O-N 3.26Å; L127-C131 PolarHBondContact O-SG 3.48Å; C131-G133 PolarHBondContact O-N 3.19Å; C131-G133 VanDerWaalsContact O-N 3.11Å; C131-F134 PolarHBondContact O-N 3.1Å; C131-L135 HydrophobicContact CB-CB 3.82Å; C131-L135 HydrophobicContact CB-CD1 4.23Å; C131-L135 HydrophobicContact CB-CD2 4.08Å; C131-L135 HydrophobicContact CB-CG 4.28Å; C131-L135 WeakPolarHBondContact O-CB 3.4Å; C131-L135 PolarHBondContact O-N 3.28Å
132G70.2Confident77.8Confident8 Ų843.6 Ų43.68%0.08222%0.218CC..THydrogen-bonded Turntrans-44.9-48.8-166.500000117.2A128 F134 K157 C158A128-G132 WeakPolarHBondContact O-CA 3.46Å; A128-G132 PolarHBondContact O-N 3.4Å; G132-F134 VanDerWaalsContact C-N 3.3Å; G132-F134 PolarHBondContact O-N 2.84Å; G132-K157 CarbonylContact C-O 3.55Å; G132-K157 WeakPolarHBondContact CA-O 3.42Å; G132-C158 WeakPolarHBondContact O-CA 3.45Å
133G74.5Confident78.8Confident45 Ų4542.1 Ų42.146%0.46421%0.208SC..THydrogen-bonded Turntrans-79.3-6.9-176.600000115.7C131 F160C131-G133 PolarHBondContact O-N 3.19Å; C131-G133 VanDerWaalsContact O-N 3.11Å; G133-F160 WeakPolarHBondContact O-CD2 3.02Å
134F80.8Confident79.4Confident101 Ų10142.5 Ų42.544%0.44321%0.205SC..THydrogen-bonded Turntrans-138.8-16.1-165.4-60.3-91.3000114G87 Q91 C131 G132 K136G87-F134 WeakPolarHBondContact O-CB 3.3Å; Q91-F134 WeakPolarHBondContact CA-O 3.42Å; Q91-F134 HydrophobicContact CG-CB 4.43Å; Q91-F134 WeakPolarHBondContact CG-O 3.47Å; C131-F134 PolarHBondContact O-N 3.1Å; G132-F134 VanDerWaalsContact C-N 3.3Å; G132-F134 PolarHBondContact O-N 2.84Å; F134-K136 PolarHBondContact O-N 3.41Å; F134-K136 VanDerWaalsContact O-N 3.16Å
135L84.8Confident79.8Confident0 Ų043.5 Ų43.50%021%0.212CC..  trans-63.9116.9-177.8-170.460.3000110.5W90 V93 C131 K137 L138 F154 C158 F160 I161W90-L135 VanDerWaalsContact O-CD1 3.23Å; W90-L135 WeakPolarHBondContact O-CD1 3.39Å; V93-L135 HydrophobicContact CB-CD1 3.8Å; V93-L135 HydrophobicContact CG2-CD1 3.54Å; C131-L135 HydrophobicContact CB-CB 3.82Å; C131-L135 HydrophobicContact CB-CD1 4.23Å; C131-L135 HydrophobicContact CB-CD2 4.08Å; C131-L135 HydrophobicContact CB-CG 4.28Å; C131-L135 WeakPolarHBondContact O-CB 3.4Å; C131-L135 PolarHBondContact O-N 3.28Å; L135-K137 WeakPolarHBondContact CD1-O 3.49Å; L135-L138 HydrophobicContact CD2-CB 4.07Å; L135-L138 HydrophobicContact CD2-CD1 4.34Å; L135-L138 HydrophobicContact CD2-CD2 4.18Å; L135-L138 HydrophobicContact CD2-CG 4.42Å; L135-L138 HydrophobicContact CG-CB 4.41Å; L135-F154 HydrophobicContact CD2-CD1 4.38Å; L135-C158 HydrophobicContact CB-CB 4.15Å; L135-C158 HydrophobicContact CD2-CB 3.98Å; L135-F160 CarbonylContact O-C 3.18Å; L135-I161 HydrophobicContact CD2-CD1 4.17Å; L135-I161 HydrophobicContact CD2-CG1 4.23Å; L135-I161 HydrophobicContact CG-CG1 4.15Å; L135-I161 PolarHBondContact O-N 3.14Å
136K90.9Very high80.5Confident76 Ų7640.6 Ų40.633%0.3320%0.198SC..  trans-107.8-40.5176.4-68-175.2174.4-167.30111.8Q91 F134 E162 E163Q91-K136 PolarHBondContact O-N 3.09Å; F134-K136 PolarHBondContact O-N 3.41Å; F134-K136 VanDerWaalsContact O-N 3.16Å; K136-E162 PolarHBondContact O-N 3.18Å; K136-E163 PolarHBondContact O-N 2.96Å
137K93.1Very high81.3Confident80 Ų8041 Ų4135%0.34820%0.199SC..EExtended strand (participates in β ladder)trans-120121.7-179.6-51.5-168.4178.7-147.30110.1Q91 N92 V93 L135 E163Q91-K137 PolarHBondContact O-N 3.29Å; N92-K137 CarbonylContact C-O 3.18Å; N92-K137 WeakPolarHBondContact CA-O 3.24Å; N92-K137 HydrophobicContact CB-CB 4.37Å; N92-K137 WeakPolarHBondContact OD1-CB 3.22Å; N92-K137 WeakPolarHBondContact OD1-CD 3.43Å; N92-K137 WeakPolarHBondContact OD1-CG 3.4Å; V93-K137 PolarHBondContact N-O 3.42Å; L135-K137 WeakPolarHBondContact CD1-O 3.49Å; K137-E163 CarbonylContact C-O 3.58Å; K137-E163 WeakPolarHBondContact CA-O 2.98Å; K137-E163 HydrophobicContact CB-CB 4.28Å; K137-E163 HydrophobicContact CD-CB 4.45Å; K137-E163 HydrophobicContact CD-CG 4.36Å; K137-E163 WeakPolarHBondContact CD-OE2 3.38Å; K137-E163 WeakPolarHBondContact CE-OE1 3.27Å; K137-E163 VanDerWaalsContact CE-OE2 3.25Å; K137-E163 WeakPolarHBondContact CE-OE2 3.29Å; K137-E163 HydrophobicContact CG-CB 3.99Å; K137-E163 HydrophobicContact CG-CG 4.15Å; K137-E163 IonicContact NZ-OE1 2.83Å; K137-E163 PolarHBondContact NZ-OE1 3.26Å; K137-E163 IonicContact NZ-OE2 3.78Å; K137-E163 PolarHBondContact NZ-OE2 3.12Å
138L91.3Very high81.9Confident4 Ų441.8 Ų41.82%0.02120%0.203CC..EExtended strand (participates in β ladder)trans-125.2125.8175.917860.9000109.9V93 L135 L140 F154 I161 E163 L164 N165V93-L138 HydrophobicContact CB-CD1 4.09Å; V93-L138 HydrophobicContact CG1-CD1 3.9Å; V93-L138 CarbonylContact O-C 3.59Å; V93-L138 WeakPolarHBondContact O-CA 3.25Å; L135-L138 HydrophobicContact CD2-CB 4.07Å; L135-L138 HydrophobicContact CD2-CD1 4.34Å; L135-L138 HydrophobicContact CD2-CD2 4.18Å; L135-L138 HydrophobicContact CD2-CG 4.42Å; L135-L138 HydrophobicContact CG-CB 4.41Å; L138-L140 HydrophobicContact CD1-CD2 4.07Å; L138-L140 HydrophobicContact CD1-CG 4.4Å; L138-L140 HydrophobicContact CD2-CD1 4.38Å; L138-L140 HydrophobicContact CD2-CG 4.36Å; L138-L140 HydrophobicContact CG-CD2 4.4Å; L138-L140 HydrophobicContact CG-CG 4.19Å; L138-F154 HydrophobicContact CD2-CB 4.31Å; L138-F154 HydrophobicContact CD2-CD1 3.86Å; L138-F154 HydrophobicContact CD2-CD2 4.09Å; L138-F154 HydrophobicContact CD2-CE1 4.17Å; L138-F154 HydrophobicContact CD2-CE2 4.35Å; L138-F154 HydrophobicContact CD2-CG 3.84Å; L138-F154 HydrophobicContact CD2-CZ 4.41Å; L138-I161 HydrophobicContact CD2-CD1 4.3Å; L138-E163 PolarHBondContact N-O 3.28Å; L138-L164 HydrophobicContact CB-CD1 3.86Å; L138-L164 HydrophobicContact CD2-CD1 3.88Å; L138-L164 HydrophobicContact CG-CD1 3.92Å; L138-L164 CarbonylContact O-C 3.23Å; L138-L164 WeakPolarHBondContact O-CA 3.43Å; L138-N165 PolarHBondContact O-N 3.46Å
139S90.1Very high82.4Confident18 Ų1843.6 Ų43.613%0.12622%0.221CC..EExtended strand (participates in β ladder)trans-115.2121.5170.21670000109.9V93 D94 L95V93-S139 PolarHBondContact O-N 3.22Å; D94-S139 VanDerWaalsContact OD1-CB 3.29Å; D94-S139 WeakPolarHBondContact OD1-CB 3.21Å; D94-S139 PolarHBondContact OD1-OG 3.12Å; L95-S139 PolarHBondContact N-O 3.24Å
140L88.6Confident83Confident1 Ų138.3 Ų38.31%0.00520%0.199CC..  trans-112.519.8169.3-57.7179.3000110.7L95 L138 G142 C143 V146 F154 N165 L166 C169L95-L140 HydrophobicContact CB-CD2 4.1Å; L95-L140 HydrophobicContact CD1-CD2 3.47Å; L95-L140 VanDerWaalsContact CD1-CD2 3.47Å; L95-L140 HydrophobicContact CG-CD2 4.09Å; L138-L140 HydrophobicContact CD1-CD2 4.07Å; L138-L140 HydrophobicContact CD1-CG 4.4Å; L138-L140 HydrophobicContact CD2-CD1 4.38Å; L138-L140 HydrophobicContact CD2-CG 4.36Å; L138-L140 HydrophobicContact CG-CD2 4.4Å; L138-L140 HydrophobicContact CG-CG 4.19Å; L140-G142 PolarHBondContact O-N 3.14Å; L140-C143 HydrophobicContact CB-CB 4.35Å; L140-C143 WeakPolarHBondContact O-CB 3.26Å; L140-C143 PolarHBondContact O-N 2.89Å; L140-C143 PolarHBondContact O-SG 3.5Å; L140-V146 HydrophobicContact CD1-CG2 4.33Å; L140-F154 HydrophobicContact CD1-CE2 4.41Å; L140-F154 HydrophobicContact CD2-CE2 4.46Å; L140-N165 PolarHBondContact N-O 3.37Å; L140-L166 HydrophobicContact CB-CD2 4.07Å; L140-L166 HydrophobicContact CD1-CD2 3.82Å; L140-L166 HydrophobicContact CG-CD2 4.26Å; L140-C169 PolarHBondContact O-SG 3.23Å
141R86.3Confident83.8Confident111 Ų11133.3 Ų33.342%0.41918%0.18SC..THydrogen-bonded Turntrans-46.5133.2-179.4177.8177.5-170.8-172.310.4110.9F96 C143 E167F96-R141 HydrophobicContact CD2-CG 4.29Å; F96-R141 WeakPolarHBondContact CD2-O 3.3Å; R141-C143 PolarHBondContact O-N 2.94Å; R141-C143 VanDerWaalsContact O-N 3.13Å; R141-E167 WeakPolarHBondContact CA-O 3.45Å; R141-E167 WeakPolarHBondContact CD-OE2 3.44Å; R141-E167 HydrophobicContact CG-CB 4.1Å; R141-E167 HydrophobicContact CG-CG 4.35Å; R141-E167 IonicContact CZ-OE1 3.64Å; R141-E167 IonicContact CZ-OE2 3.7Å; R141-E167 VanDerWaalsContact CZ-OE2 3.28Å; R141-E167 IonicContact NE-OE1 2.77Å; R141-E167 PolarHBondContact NE-OE1 3.41Å; R141-E167 IonicContact NE-OE2 2.66Å; R141-E167 PolarHBondContact NE-OE2 3.28Å; R141-E167 IonicContact NH2-OE1 3.34Å; R141-E167 PolarHBondContact NH2-OE1 2.93Å; R141-E167 IonicContact NH2-OE2 3.39Å; R141-E167 PolarHBondContact NH2-OE2 3.42Å
142G80.5Confident84.7Confident8 Ų837 Ų378%0.08220%0.197CC..THydrogen-bonded Turntrans71.6-2.1177.500000115.3Q99 L140 E144 E167Q99-G142 PolarHBondContact OE1-O 3.27Å; Q99-G142 VanDerWaalsContact OE1-O 3.08Å; L140-G142 PolarHBondContact O-N 3.14Å; G142-E144 PolarHBondContact O-N 2.93Å; G142-E167 PolarHBondContact N-O 3.18Å
143C82.3Confident85.6Confident0 Ų037.8 Ų37.80%020%0.2CC..  trans-74.168.7176.7-60.50000110.9Q99 L140 R141 S145 V146Q99-C143 HydrophobicContact CB-CB 4.49Å; L140-C143 HydrophobicContact CB-CB 4.35Å; L140-C143 WeakPolarHBondContact O-CB 3.26Å; L140-C143 PolarHBondContact O-N 2.89Å; L140-C143 PolarHBondContact O-SG 3.5Å; R141-C143 PolarHBondContact O-N 2.94Å; R141-C143 VanDerWaalsContact O-N 3.13Å; C143-S145 PolarHBondContact O-N 3.32Å; C143-V146 HydrophobicContact CB-CB 4.26Å; C143-V146 HydrophobicContact CB-CG1 4.31Å; C143-V146 WeakPolarHBondContact O-CB 3.45Å; C143-V146 WeakPolarHBondContact O-CG1 3.41Å; C143-V146 PolarHBondContact O-N 2.83Å
144E80.7Confident86.3Confident87 Ų8735.6 Ų35.641%0.40718%0.178SC..THydrogen-bonded Turntrans-61.9-20.6-172.2-52-160.5157.200113.6G142 K170 R171G142-E144 PolarHBondContact O-N 2.93Å; E144-K170 WeakPolarHBondContact OE1-CE 3.3Å; E144-K170 IonicContact OE1-NZ 3.78Å; E144-K170 PolarHBondContact OE1-NZ 2.79Å; E144-K170 IonicContact OE2-NZ 3.59Å; E144-R171 WeakPolarHBondContact O-CG 3.04Å
145S77.5Confident86.8Confident27 Ų2730.8 Ų30.819%0.18916%0.157CC..THydrogen-bonded Turntrans-87.7-7.7179.7-67.50000114.4I102 C143I102-S145 WeakPolarHBondContact O-CB 3.32Å; C143-S145 PolarHBondContact O-N 3.32Å
146V82.9Confident87.1Confident0 Ų036.9 Ų36.90%018%0.18CC..  trans-66.5134.5179.376.20000110.2I102 L140 C143 A150 C169 R171 L172I102-V146 HydrophobicContact CG2-CB 4.29Å; I102-V146 HydrophobicContact CG2-CG2 4.13Å; L140-V146 HydrophobicContact CD1-CG2 4.33Å; C143-V146 HydrophobicContact CB-CB 4.26Å; C143-V146 HydrophobicContact CB-CG1 4.31Å; C143-V146 WeakPolarHBondContact O-CB 3.45Å; C143-V146 WeakPolarHBondContact O-CG1 3.41Å; C143-V146 PolarHBondContact O-N 2.83Å; V146-A150 HydrophobicContact CG2-CB 3.61Å; V146-C169 HydrophobicContact CG1-CB 3.72Å; V146-C169 VanDerWaalsContact CG1-SG 3.59Å; V146-R171 VanDerWaalsContact O-CB 3.31Å; V146-R171 WeakPolarHBondContact O-CB 3.43Å; V146-L172 HydrophobicContact CG1-CD1 4.19Å; V146-L172 HydrophobicContact CG1-CD2 3.88Å; V146-L172 HydrophobicContact CG1-CG 4.04Å
147Q84.6Confident86.9Confident66 Ų6637.9 Ų37.931%0.30818%0.184SC..  trans-114.1166-176.7-61.3177.833.300110.4V104 G149 A150 L151V104-Q147 HydrophobicContact CG2-CB 4.42Å; Q147-G149 PolarHBondContact O-N 2.92Å; Q147-G149 VanDerWaalsContact O-N 3.14Å; Q147-A150 WeakPolarHBondContact O-CB 3.49Å; Q147-A150 PolarHBondContact O-N 3.28Å; Q147-L151 PolarHBondContact O-N 3.17Å
148D89.5Confident86.7Confident28 Ų2834.1 Ų34.115%0.1517%0.168CC..Hα-helixtrans-53.2-38.8-178.8-61.2-47.4000113.3A150 L151 E152 T173 R175 S176D148-A150 VanDerWaalsContact C-N 3.28Å; D148-A150 PolarHBondContact O-N 3.29Å; D148-L151 PolarHBondContact O-N 3.24Å; D148-L151 VanDerWaalsContact O-N 3.08Å; D148-E152 WeakPolarHBondContact O-CB 3.27Å; D148-E152 PolarHBondContact O-N 2.89Å; D148-T173 PolarHBondContact OD1-N 2.87Å; D148-T173 PolarHBondContact OD1-OG1 3.47Å; D148-T173 PolarHBondContact OD2-OG1 3.15Å; D148-R175 HydrophobicContact CB-CB 4.03Å; D148-S176 WeakPolarHBondContact CA-OG 3.47Å; D148-S176 WeakPolarHBondContact OD1-CB 3.35Å; D148-S176 PolarHBondContact OD1-N 3.3Å; D148-S176 PolarHBondContact OD1-OG 3.48Å
149G86Confident86.6Confident37 Ų3736.4 Ų36.438%0.38118%0.184SC..Hα-helixtrans-64.4-28.1179.600000114.5Q147 T153Q147-G149 PolarHBondContact O-N 2.92Å; Q147-G149 VanDerWaalsContact O-N 3.14Å; G149-T153 PolarHBondContact O-N 3.06Å; G149-T153 PolarHBondContact O-OG1 3.46Å
150A83.7Confident86.6Confident2 Ų239 Ų392%0.01719%0.193CC..Hα-helixtrans-68.8-4517200000110.8V104 V124 V146 Q147 D148 T153 F154V104-A150 HydrophobicContact CG2-CB 3.68Å; V124-A150 HydrophobicContact CB-CB 4.37Å; V124-A150 HydrophobicContact CG1-CB 3.8Å; V124-A150 HydrophobicContact CG2-CB 4.06Å; V146-A150 HydrophobicContact CG2-CB 3.61Å; Q147-A150 WeakPolarHBondContact O-CB 3.49Å; Q147-A150 PolarHBondContact O-N 3.28Å; D148-A150 VanDerWaalsContact C-N 3.28Å; D148-A150 PolarHBondContact O-N 3.29Å; A150-T153 WeakPolarHBondContact O-CB 2.94Å; A150-T153 PolarHBondContact O-N 3.5Å; A150-F154 WeakPolarHBondContact O-CD2 3.21Å; A150-F154 PolarHBondContact O-N 3.41Å; A150-F154 VanDerWaalsContact O-N 3.08Å
151L89.7Confident86.9Confident0 Ų039 Ų390%019%0.193CC..Hα-helixtrans-72.1-33.2-179.1-168.851.6000112.1Q147 D148 T153 F154 A155 L164 L166 L172 S176 L180Q147-L151 PolarHBondContact O-N 3.17Å; D148-L151 PolarHBondContact O-N 3.24Å; D148-L151 VanDerWaalsContact O-N 3.08Å; L151-T153 VanDerWaalsContact C-N 3.29Å; L151-T153 PolarHBondContact O-N 3.18Å; L151-F154 HydrophobicContact CD1-CB 4.42Å; L151-F154 PolarHBondContact O-N 3.33Å; L151-A155 VanDerWaalsContact O-CB 3.29Å; L151-A155 WeakPolarHBondContact O-CB 3.12Å; L151-A155 PolarHBondContact O-N 3.24Å; L151-L164 HydrophobicContact CD1-CD2 4.29Å; L151-L166 HydrophobicContact CD1-CD2 4.38Å; L151-L166 HydrophobicContact CD2-CD1 3.56Å; L151-L166 HydrophobicContact CD2-CD2 4.17Å; L151-L172 HydrophobicContact CD2-CD1 3.79Å; L151-L172 HydrophobicContact CD2-CD2 4.48Å; L151-S176 VanDerWaalsContact CD2-CB 3.49Å; L151-L180 HydrophobicContact CD1-CD2 4.05Å; L151-L180 HydrophobicContact CD2-CD1 4.09Å; L151-L180 HydrophobicContact CD2-CG 4.34Å; L151-L180 HydrophobicContact CG-CD2 4.26Å; L151-L180 HydrophobicContact CG-CG 4.34Å
152E91.8Very high87.4Confident79 Ų7935.6 Ų35.637%0.36918%0.182SC..Hα-helixtrans-57.6-44.1168.6-171.7-156.5137.800111.2D148 A155 R156D148-E152 WeakPolarHBondContact O-CB 3.27Å; D148-E152 PolarHBondContact O-N 2.89Å; E152-A155 PolarHBondContact O-N 2.74Å; E152-R156 WeakPolarHBondContact O-CB 3.3Å; E152-R156 PolarHBondContact O-N 3.44Å; E152-R156 IonicContact OE1-CZ 3.52Å; E152-R156 IonicContact OE1-NH1 3.6Å; E152-R156 PolarHBondContact OE1-NH1 3.31Å
153T88Confident88.2Confident23 Ų2338.2 Ų38.214%0.14119%0.192CC..Hα-helixtrans-63.9-43.8178.8-60.30000111.5E125 A128 G149 A150 L151 K157E125-T153 HydrophobicContact CB-CG2 4.31Å; E125-T153 HydrophobicContact CG-CG2 4.2Å; A128-T153 HydrophobicContact CB-CG2 3.93Å; G149-T153 PolarHBondContact O-N 3.06Å; G149-T153 PolarHBondContact O-OG1 3.46Å; A150-T153 WeakPolarHBondContact O-CB 2.94Å; A150-T153 PolarHBondContact O-N 3.5Å; L151-T153 VanDerWaalsContact C-N 3.29Å; L151-T153 PolarHBondContact O-N 3.18Å; T153-K157 WeakPolarHBondContact O-CB 3.36Å; T153-K157 WeakPolarHBondContact O-CG 2.87Å; T153-K157 PolarHBondContact O-N 3.17Å
154F88.8Confident88.9Confident0 Ų038.4 Ų38.40%019%0.193CC..Hα-helixtrans-62.4-48.9172.2-79.7-65.3000111.4V124 L127 A128 L135 L138 L140 A150 L151 R156 K157 C158V124-F154 HydrophobicContact CB-CE2 4.29Å; V124-F154 HydrophobicContact CG1-CD2 3.87Å; V124-F154 HydrophobicContact CG1-CE2 3.45Å; V124-F154 VanDerWaalsContact CG1-CE2 3.45Å; V124-F154 HydrophobicContact CG1-CZ 3.96Å; V124-F154 HydrophobicContact CG2-CE2 4.26Å; L127-F154 HydrophobicContact CB-CE1 4.47Å; L127-F154 HydrophobicContact CB-CZ 4.45Å; L127-F154 HydrophobicContact CD2-CE1 4.29Å; L127-F154 HydrophobicContact CD2-CZ 4.03Å; L127-F154 HydrophobicContact CG-CE1 4.35Å; L127-F154 HydrophobicContact CG-CZ 4.47Å; A128-F154 HydrophobicContact CB-CD1 3.65Å; A128-F154 HydrophobicContact CB-CE1 3.83Å; A128-F154 HydrophobicContact CB-CG 4.29Å; L135-F154 HydrophobicContact CD2-CD1 4.38Å; L138-F154 HydrophobicContact CD2-CB 4.31Å; L138-F154 HydrophobicContact CD2-CD1 3.86Å; L138-F154 HydrophobicContact CD2-CD2 4.09Å; L138-F154 HydrophobicContact CD2-CE1 4.17Å; L138-F154 HydrophobicContact CD2-CE2 4.35Å; L138-F154 HydrophobicContact CD2-CG 3.84Å; L138-F154 HydrophobicContact CD2-CZ 4.41Å; L140-F154 HydrophobicContact CD1-CE2 4.41Å; L140-F154 HydrophobicContact CD2-CE2 4.46Å; A150-F154 WeakPolarHBondContact O-CD2 3.21Å; A150-F154 PolarHBondContact O-N 3.41Å; A150-F154 VanDerWaalsContact O-N 3.08Å; L151-F154 HydrophobicContact CD1-CB 4.42Å; L151-F154 PolarHBondContact O-N 3.33Å; F154-R156 VanDerWaalsContact C-N 3.32Å; F154-R156 PolarHBondContact O-N 2.83Å; F154-K157 PolarHBondContact O-N 2.96Å; F154-K157 VanDerWaalsContact O-N 3.17Å; F154-C158 WeakPolarHBondContact O-CA 3.47Å; F154-C158 WeakPolarHBondContact O-CB 3.33Å; F154-C158 PolarHBondContact O-N 3.47Å
155A92.3Very high89.7Confident0 Ų036.1 Ų36.10%018%0.184CC..Hα-helixtrans-58.3-45.6-176.600000111.7L151 E152 K157 S179 L180 N183 C184L151-A155 VanDerWaalsContact O-CB 3.29Å; L151-A155 WeakPolarHBondContact O-CB 3.12Å; L151-A155 PolarHBondContact O-N 3.24Å; E152-A155 PolarHBondContact O-N 2.74Å; A155-K157 PolarHBondContact O-N 3.15Å; A155-S179 WeakPolarHBondContact CB-O 3.21Å; A155-L180 HydrophobicContact CB-CD2 4.19Å; A155-N183 HydrophobicContact CB-CB 4.13Å; A155-N183 WeakPolarHBondContact O-CB 3.47Å; A155-C184 VanDerWaalsContact CA-SG 3.54Å
156R91.3Very high90.5Very high128 Ų12834.9 Ų34.948%0.48318%0.175SC..Hα-helixtrans-68.5-31.9179.6-176.1172.560-137.7-5.7113.7E152 F154E152-R156 WeakPolarHBondContact O-CB 3.3Å; E152-R156 PolarHBondContact O-N 3.44Å; E152-R156 IonicContact OE1-CZ 3.52Å; E152-R156 IonicContact OE1-NH1 3.6Å; E152-R156 PolarHBondContact OE1-NH1 3.31Å; F154-R156 VanDerWaalsContact C-N 3.32Å; F154-R156 PolarHBondContact O-N 2.83Å
157K87.1Confident91Very high97 Ų9735.8 Ų35.842%0.42218%0.179SC..Hα-helixtrans-95.8-28.8-175.7-65.3-60.6-175.3-174.40113.3A128 G132 T153 F154 A155A128-K157 HydrophobicContact CB-CB 4.2Å; A128-K157 HydrophobicContact CB-CG 4.49Å; G132-K157 CarbonylContact C-O 3.55Å; G132-K157 WeakPolarHBondContact CA-O 3.42Å; T153-K157 WeakPolarHBondContact O-CB 3.36Å; T153-K157 WeakPolarHBondContact O-CG 2.87Å; T153-K157 PolarHBondContact O-N 3.17Å; F154-K157 PolarHBondContact O-N 2.96Å; F154-K157 VanDerWaalsContact O-N 3.17Å; A155-K157 PolarHBondContact O-N 3.15Å
158C88.2Confident91.3Very high0 Ų036.8 Ų36.80%018%0.183CC..  trans-114.362.2-172.1-55.60000111G132 L135 F154 F160 I161G132-C158 WeakPolarHBondContact O-CA 3.45Å; L135-C158 HydrophobicContact CB-CB 4.15Å; L135-C158 HydrophobicContact CD2-CB 3.98Å; F154-C158 WeakPolarHBondContact O-CA 3.47Å; F154-C158 WeakPolarHBondContact O-CB 3.33Å; F154-C158 PolarHBondContact O-N 3.47Å; C158-F160 PolarHBondContact O-N 3.27Å; C158-F160 VanDerWaalsContact O-N 3.14Å; C158-I161 HydrophobicContact CB-CD1 3.57Å; C158-I161 HydrophobicContact CB-CG1 3.84Å; C158-I161 WeakPolarHBondContact O-CD1 3.21Å; C158-I161 VanDerWaalsContact O-CG1 3.3Å; C158-I161 WeakPolarHBondContact O-CG1 3.46Å; C158-I161 PolarHBondContact O-N 3.13Å
159S89.3Confident91.3Very high53 Ų5335.5 Ų35.537%0.37118%0.176SC..THydrogen-bonded Turntrans-68.9-9.2-178.156.40000114.4
160F90.5Very high91.4Very high72 Ų7238.6 Ų38.632%0.31618%0.179SC..THydrogen-bonded Turntrans-90.94.2179-67.4-74000114.5G133 L135 C158 E162 R186G133-F160 WeakPolarHBondContact O-CD2 3.02Å; L135-F160 CarbonylContact O-C 3.18Å; C158-F160 PolarHBondContact O-N 3.27Å; C158-F160 VanDerWaalsContact O-N 3.14Å; F160-E162 PolarHBondContact O-N 3.16Å; F160-R186 VanDerWaalsContact CD1-NH1 3.26Å; F160-R186 VanDerWaalsContact CE1-CZ 3.46Å
161I94.1Very high91.6Very high1 Ų145.4 Ų45.41%0.00520%0.204CC..  trans-60.8126178-67.6167.7000109.7L135 L138 C158 L164 R186 I187L135-I161 HydrophobicContact CD2-CD1 4.17Å; L135-I161 HydrophobicContact CD2-CG1 4.23Å; L135-I161 HydrophobicContact CG-CG1 4.15Å; L135-I161 PolarHBondContact O-N 3.14Å; L138-I161 HydrophobicContact CD2-CD1 4.3Å; C158-I161 HydrophobicContact CB-CD1 3.57Å; C158-I161 HydrophobicContact CB-CG1 3.84Å; C158-I161 WeakPolarHBondContact O-CD1 3.21Å; C158-I161 VanDerWaalsContact O-CG1 3.3Å; C158-I161 WeakPolarHBondContact O-CG1 3.46Å; C158-I161 PolarHBondContact O-N 3.13Å; I161-L164 HydrophobicContact CG2-CB 4.03Å; I161-R186 CarbonylContact O-C 3.13Å; I161-R186 VanDerWaalsContact O-C 3.23Å; I161-I187 HydrophobicContact CG2-CG1 4.2Å; I161-I187 PolarHBondContact O-N 3.07Å; I161-I187 VanDerWaalsContact O-N 3.16Å
162E96.7Very high91.7Very high39 Ų3945.5 Ų45.518%0.18220%0.204CC..  trans-109-36.7176.8-71165.8-169.800110.3K136 F160 R186 Q188 V189K136-E162 PolarHBondContact O-N 3.18Å; F160-E162 PolarHBondContact O-N 3.16Å; E162-R186 WeakPolarHBondContact CA-O 3.4Å; E162-R186 HydrophobicContact CG-CB 4.25Å; E162-Q188 PolarHBondContact O-N 3.09Å; E162-V189 PolarHBondContact O-N 3.47Å
163E98Very high91.8Very high64 Ų6444.1 Ų44.130%0.29920%0.201SC..EExtended strand (participates in β ladder)trans-126.7125.2179-53.1-177.2-165.900110.9K136 K137 L138 V189K136-E163 PolarHBondContact O-N 2.96Å; K137-E163 CarbonylContact C-O 3.58Å; K137-E163 WeakPolarHBondContact CA-O 2.98Å; K137-E163 HydrophobicContact CB-CB 4.28Å; K137-E163 HydrophobicContact CD-CB 4.45Å; K137-E163 HydrophobicContact CD-CG 4.36Å; K137-E163 WeakPolarHBondContact CD-OE2 3.38Å; K137-E163 WeakPolarHBondContact CE-OE1 3.27Å; K137-E163 VanDerWaalsContact CE-OE2 3.25Å; K137-E163 WeakPolarHBondContact CE-OE2 3.29Å; K137-E163 HydrophobicContact CG-CB 3.99Å; K137-E163 HydrophobicContact CG-CG 4.15Å; K137-E163 IonicContact NZ-OE1 2.83Å; K137-E163 PolarHBondContact NZ-OE1 3.26Å; K137-E163 IonicContact NZ-OE2 3.78Å; K137-E163 PolarHBondContact NZ-OE2 3.12Å; L138-E163 PolarHBondContact N-O 3.28Å; E163-V189 CarbonylContact C-O 3.42Å; E163-V189 WeakPolarHBondContact CA-O 3.29Å; E163-V189 HydrophobicContact CB-CB 4.06Å; E163-V189 HydrophobicContact CG-CB 3.86Å; E163-V189 HydrophobicContact CG-CG2 3.85Å
164L96.9Very high92.3Very high3 Ų344.3 Ų44.32%0.01620%0.202CC..EExtended strand (participates in β ladder)trans-131.9119.8-178.7-177.460.5000111L138 L151 I161 L166 L180 I187 V189 L190 N191L138-L164 HydrophobicContact CB-CD1 3.86Å; L138-L164 HydrophobicContact CD2-CD1 3.88Å; L138-L164 HydrophobicContact CG-CD1 3.92Å; L138-L164 CarbonylContact O-C 3.23Å; L138-L164 WeakPolarHBondContact O-CA 3.43Å; L151-L164 HydrophobicContact CD1-CD2 4.29Å; I161-L164 HydrophobicContact CG2-CB 4.03Å; L164-L166 HydrophobicContact CD1-CD2 3.93Å; L164-L166 HydrophobicContact CD1-CG 4.3Å; L164-L166 HydrophobicContact CD2-CD1 3.95Å; L164-L166 HydrophobicContact CD2-CD2 4.4Å; L164-L166 HydrophobicContact CD2-CG 4.21Å; L164-L166 HydrophobicContact CG-CD1 4.21Å; L164-L166 HydrophobicContact CG-CD2 4.1Å; L164-L166 HydrophobicContact CG-CG 3.92Å; L164-L180 HydrophobicContact CD2-CD1 3.58Å; L164-L180 HydrophobicContact CD2-CD2 3.47Å; L164-L180 VanDerWaalsContact CD2-CD2 3.47Å; L164-L180 HydrophobicContact CD2-CG 4.18Å; L164-I187 HydrophobicContact CD2-CD1 4.5Å; L164-V189 PolarHBondContact N-O 3.15Å; L164-L190 HydrophobicContact CB-CD1 4.02Å; L164-L190 HydrophobicContact CD2-CD1 3.95Å; L164-L190 HydrophobicContact CG-CD1 4.12Å; L164-L190 WeakPolarHBondContact O-CA 3.22Å; L164-N191 PolarHBondContact O-N 3.1Å
165N95.9Very high92.7Very high40 Ų4052.6 Ų52.621%0.21423%0.233CC..EExtended strand (participates in β ladder)trans-110.2114175.6-171.7-8.6000111.3L138 L140 E167 N191L138-N165 PolarHBondContact O-N 3.46Å; L140-N165 PolarHBondContact N-O 3.37Å; N165-E167 VanDerWaalsContact OD1-CB 3.25Å; N165-E167 WeakPolarHBondContact OD1-CB 3.4Å; N165-E167 PolarHBondContact OD1-N 3.27Å; N165-N191 HydrophobicContact CB-CB 4.44Å; N165-N191 PolarHBondContact OD1-ND2 3.13Å
166L95.1Very high92.8Very high1 Ų152.7 Ų52.71%0.00523%0.234CC..  trans-116.620.5179.3-56.2174.1000111.9L140 L151 L164 K168 C169 L172 L180 L190 N191 L192 V195L140-L166 HydrophobicContact CB-CD2 4.07Å; L140-L166 HydrophobicContact CD1-CD2 3.82Å; L140-L166 HydrophobicContact CG-CD2 4.26Å; L151-L166 HydrophobicContact CD1-CD2 4.38Å; L151-L166 HydrophobicContact CD2-CD1 3.56Å; L151-L166 HydrophobicContact CD2-CD2 4.17Å; L164-L166 HydrophobicContact CD1-CD2 3.93Å; L164-L166 HydrophobicContact CD1-CG 4.3Å; L164-L166 HydrophobicContact CD2-CD1 3.95Å; L164-L166 HydrophobicContact CD2-CD2 4.4Å; L164-L166 HydrophobicContact CD2-CG 4.21Å; L164-L166 HydrophobicContact CG-CD1 4.21Å; L164-L166 HydrophobicContact CG-CD2 4.1Å; L164-L166 HydrophobicContact CG-CG 3.92Å; L166-K168 PolarHBondContact O-N 3.41Å; L166-C169 HydrophobicContact CB-CB 4.31Å; L166-C169 VanDerWaalsContact O-CB 3.23Å; L166-C169 WeakPolarHBondContact O-CB 3.38Å; L166-C169 PolarHBondContact O-N 2.85Å; L166-C169 PolarHBondContact O-SG 3.17Å; L166-C169 VanDerWaalsContact O-SG 3.37Å; L166-L172 HydrophobicContact CB-CD1 4.18Å; L166-L172 HydrophobicContact CD1-CD1 3.88Å; L166-L172 HydrophobicContact CD2-CD1 4.04Å; L166-L172 HydrophobicContact CG-CD1 4.25Å; L166-L180 HydrophobicContact CD1-CD1 4.25Å; L166-L190 HydrophobicContact CD1-CD1 4.46Å; L166-N191 WeakPolarHBondContact CA-O 3.39Å; L166-N191 WeakPolarHBondContact CB-O 3.38Å; L166-N191 PolarHBondContact N-O 3.2Å; L166-L192 HydrophobicContact CB-CD2 4.33Å; L166-L192 HydrophobicContact CD1-CD2 3.76Å; L166-V195 HydrophobicContact CB-CG2 4.38Å; L166-V195 VanDerWaalsContact O-CG2 3.23Å; L166-V195 WeakPolarHBondContact O-CG2 3.44Å
167E94.3Very high93.1Very high19 Ų1946.7 Ų46.79%0.08921%0.211CC..THydrogen-bonded Turntrans-50.5128.1179.7173.3-167.4148.100110.7R141 G142 N165 C169 D193R141-E167 WeakPolarHBondContact CA-O 3.45Å; R141-E167 WeakPolarHBondContact CD-OE2 3.44Å; R141-E167 HydrophobicContact CG-CB 4.1Å; R141-E167 HydrophobicContact CG-CG 4.35Å; R141-E167 IonicContact CZ-OE1 3.64Å; R141-E167 IonicContact CZ-OE2 3.7Å; R141-E167 VanDerWaalsContact CZ-OE2 3.28Å; R141-E167 IonicContact NE-OE1 2.77Å; R141-E167 PolarHBondContact NE-OE1 3.41Å; R141-E167 IonicContact NE-OE2 2.66Å; R141-E167 PolarHBondContact NE-OE2 3.28Å; R141-E167 IonicContact NH2-OE1 3.34Å; R141-E167 PolarHBondContact NH2-OE1 2.93Å; R141-E167 IonicContact NH2-OE2 3.39Å; R141-E167 PolarHBondContact NH2-OE2 3.42Å; G142-E167 PolarHBondContact N-O 3.18Å; N165-E167 VanDerWaalsContact OD1-CB 3.25Å; N165-E167 WeakPolarHBondContact OD1-CB 3.4Å; N165-E167 PolarHBondContact OD1-N 3.27Å; E167-C169 PolarHBondContact O-N 3.22Å; E167-D193 CarbonylContact C-O 3.34Å; E167-D193 VanDerWaalsContact CA-O 3.28Å; E167-D193 WeakPolarHBondContact CA-O 3.28Å; E167-D193 HydrophobicContact CB-CB 4.31Å; E167-D193 HydrophobicContact CG-CB 4.11Å
168K90.4Very high93.7Very high87 Ų8746.1 Ų46.138%0.37821%0.21SC..THydrogen-bonded Turntrans63.418.6180-63.7166.1-178.1172.30114.9L166 K170 D193 C194L166-K168 PolarHBondContact O-N 3.41Å; K168-K170 PolarHBondContact O-N 3.41Å; K168-D193 PolarHBondContact N-O 3.36Å; K168-C194 HydrophobicContact CG-CB 3.81Å
169C89.6Confident94.1Very high0 Ų046.9 Ų46.90%022%0.215CC..  trans-76.867.6169.7-66.80000111.8L140 V146 L166 E167 R171 L172 V195L140-C169 PolarHBondContact O-SG 3.23Å; V146-C169 HydrophobicContact CG1-CB 3.72Å; V146-C169 VanDerWaalsContact CG1-SG 3.59Å; L166-C169 HydrophobicContact CB-CB 4.31Å; L166-C169 VanDerWaalsContact O-CB 3.23Å; L166-C169 WeakPolarHBondContact O-CB 3.38Å; L166-C169 PolarHBondContact O-N 2.85Å; L166-C169 PolarHBondContact O-SG 3.17Å; L166-C169 VanDerWaalsContact O-SG 3.37Å; E167-C169 PolarHBondContact O-N 3.22Å; C169-R171 PolarHBondContact O-N 2.94Å; C169-L172 HydrophobicContact CB-CD1 3.45Å; C169-L172 VanDerWaalsContact CB-CD1 3.45Å; C169-L172 HydrophobicContact CB-CG 3.75Å; C169-L172 WeakPolarHBondContact O-CB 3.46Å; C169-L172 WeakPolarHBondContact O-CG 3.49Å; C169-L172 PolarHBondContact O-N 2.86Å; C169-V195 HydrophobicContact CB-CG2 4.43Å
170K87Confident94.4Very high103 Ų10344.4 Ų44.445%0.44820%0.198SC..THydrogen-bonded Turntrans-59.1-18-169.1-67.5171-178.9157.70116.5E144 K168E144-K170 WeakPolarHBondContact OE1-CE 3.3Å; E144-K170 IonicContact OE1-NZ 3.78Å; E144-K170 PolarHBondContact OE1-NZ 2.79Å; E144-K170 IonicContact OE2-NZ 3.59Å; K168-K170 PolarHBondContact O-N 3.41Å
171R87.8Confident94.7Very high144 Ų14441.1 Ų41.154%0.54318%0.184SC..THydrogen-bonded Turntrans-94.20.5179.6-72-175.3-175.8-170.1-1.3114E144 V146 C169E144-R171 WeakPolarHBondContact O-CG 3.04Å; V146-R171 VanDerWaalsContact O-CB 3.31Å; V146-R171 WeakPolarHBondContact O-CB 3.43Å; C169-R171 PolarHBondContact O-N 2.94Å
172L92.3Very high94.9Very high2 Ų244.5 Ų44.51%0.0121%0.208CC..  trans-81.7146.1173.3-57.7-177000110.5V146 L151 L166 C169 S176 V195 G197V146-L172 HydrophobicContact CG1-CD1 4.19Å; V146-L172 HydrophobicContact CG1-CD2 3.88Å; V146-L172 HydrophobicContact CG1-CG 4.04Å; L151-L172 HydrophobicContact CD2-CD1 3.79Å; L151-L172 HydrophobicContact CD2-CD2 4.48Å; L166-L172 HydrophobicContact CB-CD1 4.18Å; L166-L172 HydrophobicContact CD1-CD1 3.88Å; L166-L172 HydrophobicContact CD2-CD1 4.04Å; L166-L172 HydrophobicContact CG-CD1 4.25Å; C169-L172 HydrophobicContact CB-CD1 3.45Å; C169-L172 VanDerWaalsContact CB-CD1 3.45Å; C169-L172 HydrophobicContact CB-CG 3.75Å; C169-L172 WeakPolarHBondContact O-CB 3.46Å; C169-L172 WeakPolarHBondContact O-CG 3.49Å; C169-L172 PolarHBondContact O-N 2.86Å; L172-S176 WeakPolarHBondContact CD2-OG 3.45Å; L172-V195 HydrophobicContact CB-CG1 3.84Å; L172-G197 WeakPolarHBondContact O-CA 3.47Å
173T95.1Very high94.8Very high50 Ų5045.6 Ų45.631%0.30722%0.215SC..BIsolated β-bridgetrans-130.1-174.9-17972.10000111.2D148 R175 S176 G197D148-T173 PolarHBondContact OD1-N 2.87Å; D148-T173 PolarHBondContact OD1-OG1 3.47Å; D148-T173 PolarHBondContact OD2-OG1 3.15Å; T173-R175 PolarHBondContact O-N 3.48Å; T173-R175 PolarHBondContact OG1-N 3.45Å; T173-S176 VanDerWaalsContact O-CB 3.31Å; T173-S176 WeakPolarHBondContact O-CB 3.33Å; T173-S176 PolarHBondContact O-N 2.91Å; T173-G197 WeakPolarHBondContact CA-O 3.3Å
174D97.7Very high94.7Very high28 Ų2842.5 Ų42.515%0.1520%0.201CC..Hα-helixtrans-53.2-25.4172.9-63.6-31.2000113.8S176 C177 E178 V198 T199 K201 G202D174-S176 VanDerWaalsContact C-N 3.3Å; D174-S176 PolarHBondContact O-N 2.84Å; D174-C177 CarbonylContact O-C 3.53Å; D174-C177 WeakPolarHBondContact O-CB 3.15Å; D174-C177 PolarHBondContact O-N 2.75Å; D174-C177 VanDerWaalsContact O-N 3.11Å; D174-E178 PolarHBondContact O-N 3.25Å; D174-V198 WeakPolarHBondContact OD1-CA 3.32Å; D174-T199 PolarHBondContact OD1-N 3.1Å; D174-T199 PolarHBondContact OD1-OG1 2.94Å; D174-T199 PolarHBondContact OD2-OG1 3.12Å; D174-K201 HydrophobicContact CB-CB 4.45Å; D174-G202 VanDerWaalsContact CG-N 3.29Å; D174-G202 WeakPolarHBondContact OD1-CA 3.32Å; D174-G202 PolarHBondContact OD1-N 2.82Å
175R97.1Very high94.6Very high174 Ų17447.1 Ų47.166%0.65722%0.221SC*.Hα-helixtrans-62.8-35175.4-71.3-175.4174.9-172.2-0.6113.1D148 T173 E178 S179D148-R175 HydrophobicContact CB-CB 4.03Å; T173-R175 PolarHBondContact O-N 3.48Å; T173-R175 PolarHBondContact OG1-N 3.45Å; R175-E178 PolarHBondContact O-N 3.23Å; R175-S179 PolarHBondContact O-N 3.17Å; R175-S179 PolarHBondContact O-OG 3.42Å
176S95.2Very high94.6Very high2 Ų251 Ų511%0.01423%0.233CC..Hα-helixtrans-63.8-44.6171.9-80.10000111.4D148 L151 L172 T173 D174 E178 S179 L180D148-S176 WeakPolarHBondContact CA-OG 3.47Å; D148-S176 WeakPolarHBondContact OD1-CB 3.35Å; D148-S176 PolarHBondContact OD1-N 3.3Å; D148-S176 PolarHBondContact OD1-OG 3.48Å; L151-S176 VanDerWaalsContact CD2-CB 3.49Å; L172-S176 WeakPolarHBondContact CD2-OG 3.45Å; T173-S176 VanDerWaalsContact O-CB 3.31Å; T173-S176 WeakPolarHBondContact O-CB 3.33Å; T173-S176 PolarHBondContact O-N 2.91Å; D174-S176 VanDerWaalsContact C-N 3.3Å; D174-S176 PolarHBondContact O-N 2.84Å; S176-E178 VanDerWaalsContact C-N 3.34Å; S176-E178 PolarHBondContact O-N 2.87Å; S176-S179 WeakPolarHBondContact O-CB 3.43Å; S176-S179 PolarHBondContact O-N 3.31Å; S176-L180 VanDerWaalsContact O-CG 3.31Å; S176-L180 WeakPolarHBondContact O-CG 3.37Å; S176-L180 PolarHBondContact O-N 3.17Å
177C97.8Very high94.7Very high1 Ų151 Ų511%0.00723%0.232CC..Hα-helixtrans-65.1-38177.7-65.90000112D174 L180 G181 G202 F205 I206D174-C177 CarbonylContact O-C 3.53Å; D174-C177 WeakPolarHBondContact O-CB 3.15Å; D174-C177 PolarHBondContact O-N 2.75Å; D174-C177 VanDerWaalsContact O-N 3.11Å; C177-L180 PolarHBondContact O-N 3.26Å; C177-G181 PolarHBondContact O-N 3.49Å; C177-G202 VanDerWaalsContact CB-CA 3.49Å; C177-G202 VanDerWaalsContact CB-O 3.3Å; C177-G202 WeakPolarHBondContact CB-O 3.45Å; C177-F205 HydrophobicContact CB-CB 4.49Å; C177-I206 HydrophobicContact CB-CD1 4Å; C177-I206 HydrophobicContact CB-CG1 3.93Å
178E98.3Very high94.9Very high86 Ų8653 Ų5340%0.40224%0.242SC..Hα-helixtrans-58.5-46.2171.6-175.3177-154.900111.9D174 R175 S176 G181 S182 F205D174-E178 PolarHBondContact O-N 3.25Å; R175-E178 PolarHBondContact O-N 3.23Å; S176-E178 VanDerWaalsContact C-N 3.34Å; S176-E178 PolarHBondContact O-N 2.87Å; E178-G181 PolarHBondContact O-N 3.21Å; E178-S182 VanDerWaalsContact O-CB 3.27Å; E178-S182 WeakPolarHBondContact O-CB 3.45Å; E178-S182 PolarHBondContact O-N 3.36Å; E178-S182 PolarHBondContact O-OG 3.27Å; E178-F205 HydrophobicContact CB-CB 4.43Å; E178-F205 HydrophobicContact CB-CD1 4.21Å; E178-F205 HydrophobicContact CB-CD2 3.68Å; E178-F205 HydrophobicContact CB-CE1 4.35Å; E178-F205 HydrophobicContact CB-CE2 3.85Å; E178-F205 HydrophobicContact CB-CG 3.87Å; E178-F205 HydrophobicContact CB-CZ 4.18Å; E178-F205 HydrophobicContact CG-CD1 4.08Å; E178-F205 HydrophobicContact CG-CD2 4.34Å; E178-F205 HydrophobicContact CG-CE1 3.96Å; E178-F205 HydrophobicContact CG-CE2 4.24Å; E178-F205 HydrophobicContact CG-CG 4.27Å; E178-F205 HydrophobicContact CG-CZ 4.04Å
179S96.6Very high95.3Very high16 Ų1651.1 Ų51.111%0.11224%0.237CC..Hα-helixtrans-63.3-44.2178.3-61.40000111.8A155 R175 S176 S182 N183A155-S179 WeakPolarHBondContact CB-O 3.21Å; R175-S179 PolarHBondContact O-N 3.17Å; R175-S179 PolarHBondContact O-OG 3.42Å; S176-S179 WeakPolarHBondContact O-CB 3.43Å; S176-S179 PolarHBondContact O-N 3.31Å; S179-S182 PolarHBondContact O-N 3.04Å; S179-N183 PolarHBondContact O-N 3.5Å; S179-N183 VanDerWaalsContact O-N 3.15Å; S179-N183 PolarHBondContact O-ND2 2.9Å
180L97.2Very high95.7Very high1 Ų151.1 Ų51.11%0.00524%0.237CC..Hα-helixtrans-63.9-50.4176.3-69.5175.8000111.5L151 A155 L164 L166 S176 C177 S182 N183 C184 I187 L190 I206L151-L180 HydrophobicContact CD1-CD2 4.05Å; L151-L180 HydrophobicContact CD2-CD1 4.09Å; L151-L180 HydrophobicContact CD2-CG 4.34Å; L151-L180 HydrophobicContact CG-CD2 4.26Å; L151-L180 HydrophobicContact CG-CG 4.34Å; A155-L180 HydrophobicContact CB-CD2 4.19Å; L164-L180 HydrophobicContact CD2-CD1 3.58Å; L164-L180 HydrophobicContact CD2-CD2 3.47Å; L164-L180 VanDerWaalsContact CD2-CD2 3.47Å; L164-L180 HydrophobicContact CD2-CG 4.18Å; L166-L180 HydrophobicContact CD1-CD1 4.25Å; S176-L180 VanDerWaalsContact O-CG 3.31Å; S176-L180 WeakPolarHBondContact O-CG 3.37Å; S176-L180 PolarHBondContact O-N 3.17Å; C177-L180 PolarHBondContact O-N 3.26Å; L180-S182 PolarHBondContact O-N 3.02Å; L180-N183 PolarHBondContact O-N 3.13Å; L180-C184 HydrophobicContact CD2-CB 4.47Å; L180-C184 WeakPolarHBondContact O-CA 3.41Å; L180-C184 WeakPolarHBondContact O-CB 3.27Å; L180-C184 PolarHBondContact O-N 2.83Å; L180-I187 HydrophobicContact CB-CD1 4.37Å; L180-I187 HydrophobicContact CD2-CD1 4.12Å; L180-L190 HydrophobicContact CD1-CD1 4.34Å; L180-I206 HydrophobicContact CB-CD1 3.79Å; L180-I206 HydrophobicContact CD1-CD1 4.2Å
181G96.9Very high96.2Very high3 Ų347.4 Ų47.43%0.03122%0.222CC..Hα-helixtrans-58.1-38177.800000112.1C177 E178 K185 F205 G209C177-G181 PolarHBondContact O-N 3.49Å; E178-G181 PolarHBondContact O-N 3.21Å; G181-K185 WeakPolarHBondContact O-CE 3.44Å; G181-K185 PolarHBondContact O-NZ 3.14Å; G181-F205 WeakPolarHBondContact CA-O 3.34Å; G181-G209 WeakPolarHBondContact O-CA 3.43Å
182S96.9Very high96.7Very high72 Ų7240.7 Ų40.750%0.50320%0.197SC..Hα-helixtrans-73.1-35.5-179.2-61.60000113.6E178 S179 L180 K185E178-S182 VanDerWaalsContact O-CB 3.27Å; E178-S182 WeakPolarHBondContact O-CB 3.45Å; E178-S182 PolarHBondContact O-N 3.36Å; E178-S182 PolarHBondContact O-OG 3.27Å; S179-S182 PolarHBondContact O-N 3.04Å; L180-S182 PolarHBondContact O-N 3.02Å; S182-K185 WeakPolarHBondContact O-CE 3.4Å
183N95.3Very high96.9Very high61 Ų6141.9 Ų41.933%0.32620%0.204SC..Hα-helixtrans-116.6-27.4-167.8-59.8-88.8000115A155 S179 L180A155-N183 HydrophobicContact CB-CB 4.13Å; A155-N183 WeakPolarHBondContact O-CB 3.47Å; S179-N183 PolarHBondContact O-N 3.5Å; S179-N183 VanDerWaalsContact O-N 3.15Å; S179-N183 PolarHBondContact O-ND2 2.9Å; L180-N183 PolarHBondContact O-N 3.13Å
184C94.7Very high96.9Very high0 Ų041.1 Ų41.10%020%0.2CC..  trans-105.969.1-170.6-610000112.3A155 L180 R186 I187 C210A155-C184 VanDerWaalsContact CA-SG 3.54Å; L180-C184 HydrophobicContact CD2-CB 4.47Å; L180-C184 WeakPolarHBondContact O-CA 3.41Å; L180-C184 WeakPolarHBondContact O-CB 3.27Å; L180-C184 PolarHBondContact O-N 2.83Å; C184-R186 PolarHBondContact O-N 3.16Å; C184-I187 HydrophobicContact CB-CD1 3.43Å; C184-I187 VanDerWaalsContact CB-CD1 3.43Å; C184-I187 HydrophobicContact CB-CG1 3.78Å; C184-I187 PolarHBondContact O-N 3.04Å; C184-C210 PolarHBondContact O-SG 3.07Å
185K95.1Very high96.7Very high100 Ų10039.8 Ų39.844%0.43519%0.193SC..THydrogen-bonded Turntrans-71.5-8.4-175.2-52.8-59.3-175.6177.50114.8G181 S182 G209 N212G181-K185 WeakPolarHBondContact O-CE 3.44Å; G181-K185 PolarHBondContact O-NZ 3.14Å; S182-K185 WeakPolarHBondContact O-CE 3.4Å; K185-G209 WeakPolarHBondContact CD-O 3.25Å; K185-N212 PolarHBondContact O-ND2 3.46Å
186R95.9Very high96.2Very high122 Ų12234.2 Ų34.246%0.4618%0.181SC..THydrogen-bonded Turntrans-99.6-1.5-177.5-66.3-169.4178.3-161.70.2114.2F160 I161 E162 C184 Q188F160-R186 VanDerWaalsContact CD1-NH1 3.26Å; F160-R186 VanDerWaalsContact CE1-CZ 3.46Å; I161-R186 CarbonylContact O-C 3.13Å; I161-R186 VanDerWaalsContact O-C 3.23Å; E162-R186 WeakPolarHBondContact CA-O 3.4Å; E162-R186 HydrophobicContact CG-CB 4.25Å; C184-R186 PolarHBondContact O-N 3.16Å; R186-Q188 PolarHBondContact O-N 3.15Å
187I97.7Very high96.1Very high0 Ų035.4 Ų35.40%019%0.193CC..  trans-57.5125.9178.6-69.7174.9000109.5I161 L164 L180 C184 L190 C210 N212 L213I161-I187 HydrophobicContact CG2-CG1 4.2Å; I161-I187 PolarHBondContact O-N 3.07Å; I161-I187 VanDerWaalsContact O-N 3.16Å; L164-I187 HydrophobicContact CD2-CD1 4.5Å; L180-I187 HydrophobicContact CB-CD1 4.37Å; L180-I187 HydrophobicContact CD2-CD1 4.12Å; C184-I187 HydrophobicContact CB-CD1 3.43Å; C184-I187 VanDerWaalsContact CB-CD1 3.43Å; C184-I187 HydrophobicContact CB-CG1 3.78Å; C184-I187 PolarHBondContact O-N 3.04Å; I187-L190 HydrophobicContact CG2-CB 4.02Å; I187-C210 HydrophobicContact CB-CB 4.29Å; I187-N212 CarbonylContact O-C 3.52Å; I187-L213 HydrophobicContact CG2-CD1 3.84Å; I187-L213 PolarHBondContact O-N 2.92Å
188Q98.2Very high96Very high62 Ų6235.4 Ų35.429%0.2919%0.193SC..  trans-115.1-35.4175.3-70.3168.623.300110.7E162 R186 N212 E214 C215E162-Q188 PolarHBondContact O-N 3.09Å; R186-Q188 PolarHBondContact O-N 3.15Å; Q188-N212 HydrophobicContact CG-CB 4.35Å; Q188-N212 WeakPolarHBondContact CG-O 3.49Å; Q188-E214 HydrophobicContact CB-CG 4.38Å; Q188-E214 WeakPolarHBondContact O-CA 3.45Å; Q188-E214 PolarHBondContact O-N 3.42Å; Q188-C215 PolarHBondContact O-N 3.11Å
189V98.7Very high95.9Very high46 Ų4632.6 Ų32.628%0.27918%0.182SC..EExtended strand (participates in β ladder)trans-122.9120.8179.2-175.90000109.1E162 E163 L164 C215E162-V189 PolarHBondContact O-N 3.47Å; E163-V189 CarbonylContact C-O 3.42Å; E163-V189 WeakPolarHBondContact CA-O 3.29Å; E163-V189 HydrophobicContact CB-CB 4.06Å; E163-V189 HydrophobicContact CG-CB 3.86Å; E163-V189 HydrophobicContact CG-CG2 3.85Å; L164-V189 PolarHBondContact N-O 3.15Å; V189-C215 WeakPolarHBondContact CA-O 3.39Å; V189-C215 HydrophobicContact CB-CB 4.3Å; V189-C215 HydrophobicContact CG1-CB 3.99Å; V189-C215 HydrophobicContact CG2-CB 4.07Å
190L98.5Very high95.9Very high1 Ų134.9 Ų34.91%0.00519%0.191CC..EExtended strand (participates in β ladder)trans-130.1120.8177.2-178.660.3000110.4L164 L166 L180 I187 L192 I206 L213 C215 L216 N217L164-L190 HydrophobicContact CB-CD1 4.02Å; L164-L190 HydrophobicContact CD2-CD1 3.95Å; L164-L190 HydrophobicContact CG-CD1 4.12Å; L164-L190 WeakPolarHBondContact O-CA 3.22Å; L166-L190 HydrophobicContact CD1-CD1 4.46Å; L180-L190 HydrophobicContact CD1-CD1 4.34Å; I187-L190 HydrophobicContact CG2-CB 4.02Å; L190-L192 HydrophobicContact CD1-CD2 4.34Å; L190-L192 HydrophobicContact CD1-CG 4.34Å; L190-L192 HydrophobicContact CD2-CD1 3.96Å; L190-L192 HydrophobicContact CD2-CG 4.25Å; L190-L192 HydrophobicContact CG-CD1 4.26Å; L190-L192 HydrophobicContact CG-CG 4.02Å; L190-I206 HydrophobicContact CD2-CD1 3.84Å; L190-I206 HydrophobicContact CD2-CG1 3.96Å; L190-I206 HydrophobicContact CD2-CG2 3.93Å; L190-L213 HydrophobicContact CB-CD1 3.82Å; L190-C215 PolarHBondContact N-O 3.17Å; L190-L216 HydrophobicContact CB-CD1 4.2Å; L190-L216 HydrophobicContact CD2-CD1 4.2Å; L190-L216 HydrophobicContact CG-CD1 4.27Å; L190-L216 WeakPolarHBondContact O-CA 3.48Å; L190-N217 PolarHBondContact O-N 2.8Å
191N98.3Very high95.9Very high25 Ų2541.6 Ų41.613%0.13422%0.22CC..EExtended strand (participates in β ladder)trans-111.9115174.7-175-0.2000110.5L164 N165 L166 D193 N217L164-N191 PolarHBondContact O-N 3.1Å; N165-N191 HydrophobicContact CB-CB 4.44Å; N165-N191 PolarHBondContact OD1-ND2 3.13Å; L166-N191 WeakPolarHBondContact CA-O 3.39Å; L166-N191 WeakPolarHBondContact CB-O 3.38Å; L166-N191 PolarHBondContact N-O 3.2Å; N191-D193 WeakPolarHBondContact OD1-CB 3.44Å; N191-D193 PolarHBondContact OD1-N 3.13Å; N191-N217 HydrophobicContact CB-CB 4.43Å; N191-N217 PolarHBondContact OD1-ND2 3.29Å
192L97.3Very high96Very high2 Ų241.4 Ų41.41%0.0122%0.218CC..  trans-114.619.4178.1-64.7170.5000112L166 L190 C194 V195 V198 L203 N217 I218 C221L166-L192 HydrophobicContact CB-CD2 4.33Å; L166-L192 HydrophobicContact CD1-CD2 3.76Å; L190-L192 HydrophobicContact CD1-CD2 4.34Å; L190-L192 HydrophobicContact CD1-CG 4.34Å; L190-L192 HydrophobicContact CD2-CD1 3.96Å; L190-L192 HydrophobicContact CD2-CG 4.25Å; L190-L192 HydrophobicContact CG-CD1 4.26Å; L190-L192 HydrophobicContact CG-CG 4.02Å; L192-C194 PolarHBondContact O-N 2.89Å; L192-V195 HydrophobicContact CB-CB 4.41Å; L192-V195 HydrophobicContact CB-CG2 4.33Å; L192-V195 HydrophobicContact CD2-CG2 4.37Å; L192-V195 VanDerWaalsContact O-CB 3.3Å; L192-V195 WeakPolarHBondContact O-CB 3.25Å; L192-V195 VanDerWaalsContact O-CG2 3.28Å; L192-V195 WeakPolarHBondContact O-CG2 3.45Å; L192-V195 PolarHBondContact O-N 2.84Å; L192-V198 HydrophobicContact CD1-CG1 4.42Å; L192-L203 HydrophobicContact CD1-CD2 4.27Å; L192-N217 WeakPolarHBondContact CA-O 3.39Å; L192-N217 WeakPolarHBondContact CB-O 3.43Å; L192-N217 PolarHBondContact N-O 3.2Å; L192-I218 HydrophobicContact CB-CG2 4.46Å; L192-I218 HydrophobicContact CD1-CG2 4.31Å; L192-C221 PolarHBondContact O-SG 3.32Å
193D96.7Very high96Very high28 Ų2838 Ų3815%0.1519%0.194CC..THydrogen-bonded Turntrans-52.4129.3178.8-173.4-29.3000111.7E167 K168 N191 V195 S219E167-D193 CarbonylContact C-O 3.34Å; E167-D193 VanDerWaalsContact CA-O 3.28Å; E167-D193 WeakPolarHBondContact CA-O 3.28Å; E167-D193 HydrophobicContact CB-CB 4.31Å; E167-D193 HydrophobicContact CG-CB 4.11Å; K168-D193 PolarHBondContact N-O 3.36Å; N191-D193 WeakPolarHBondContact OD1-CB 3.44Å; N191-D193 PolarHBondContact OD1-N 3.13Å; D193-V195 PolarHBondContact O-N 2.85Å; D193-S219 CarbonylContact C-O 3.31Å; D193-S219 WeakPolarHBondContact CA-O 3.34Å
194C94.5Very high96.1Very high34 Ų3440.8 Ų40.823%0.2320%0.203CC..THydrogen-bonded Turntrans58.826.3-177.3-65.70000114.4K168 L192 S196 S219K168-C194 HydrophobicContact CG-CB 3.81Å; L192-C194 PolarHBondContact O-N 2.89Å; C194-S196 PolarHBondContact O-N 3.05Å; C194-S219 PolarHBondContact N-O 3.44Å
195V93.3Very high96.3Very high0 Ų044.1 Ų44.10%022%0.218CC..  trans-93.378.6169.8-172.70000109.1L166 C169 L172 L192 D193 G197 V198 C221L166-V195 HydrophobicContact CB-CG2 4.38Å; L166-V195 VanDerWaalsContact O-CG2 3.23Å; L166-V195 WeakPolarHBondContact O-CG2 3.44Å; C169-V195 HydrophobicContact CB-CG2 4.43Å; L172-V195 HydrophobicContact CB-CG1 3.84Å; L192-V195 HydrophobicContact CB-CB 4.41Å; L192-V195 HydrophobicContact CB-CG2 4.33Å; L192-V195 HydrophobicContact CD2-CG2 4.37Å; L192-V195 VanDerWaalsContact O-CB 3.3Å; L192-V195 WeakPolarHBondContact O-CB 3.25Å; L192-V195 VanDerWaalsContact O-CG2 3.28Å; L192-V195 WeakPolarHBondContact O-CG2 3.45Å; L192-V195 PolarHBondContact O-N 2.84Å; D193-V195 PolarHBondContact O-N 2.85Å; V195-G197 PolarHBondContact O-N 2.87Å; V195-G197 VanDerWaalsContact O-N 3.15Å; V195-V198 HydrophobicContact CB-CG2 4.32Å; V195-V198 HydrophobicContact CG1-CB 4.42Å; V195-V198 HydrophobicContact CG1-CG2 3.63Å; V195-V198 PolarHBondContact O-N 2.96Å; V195-V198 VanDerWaalsContact O-N 3.15Å; V195-C221 PolarHBondContact O-SG 3.25Å; V195-C221 VanDerWaalsContact O-SG 3.37Å
196S88Confident96.5Very high57 Ų5739.3 Ų39.340%0.39920%0.197SC..THydrogen-bonded Turntrans-65.4-17.8-172600000114.9C194 V198 H223C194-S196 PolarHBondContact O-N 3.05Å; S196-V198 VanDerWaalsContact C-N 3.27Å; S196-H223 PolarHBondContact O-CD2 3.16Å
197G92.5Very high96.6Very high26 Ų2633.5 Ų33.527%0.26818%0.175SC..BIsolated β-bridgetrans-79.4-6176.700000114.4L172 T173 V195L172-G197 WeakPolarHBondContact O-CA 3.47Å; T173-G197 WeakPolarHBondContact CA-O 3.3Å; V195-G197 PolarHBondContact O-N 2.87Å; V195-G197 VanDerWaalsContact O-N 3.15Å
198V95.9Very high96.6Very high1 Ų137.8 Ų37.81%0.00620%0.198CC..  trans-87.2132.2175.9171.30000110.3D174 L192 V195 S196 L203D174-V198 WeakPolarHBondContact OD1-CA 3.32Å; L192-V198 HydrophobicContact CD1-CG1 4.42Å; V195-V198 HydrophobicContact CB-CG2 4.32Å; V195-V198 HydrophobicContact CG1-CB 4.42Å; V195-V198 HydrophobicContact CG1-CG2 3.63Å; V195-V198 PolarHBondContact O-N 2.96Å; V195-V198 VanDerWaalsContact O-N 3.15Å; S196-V198 VanDerWaalsContact C-N 3.27Å; V198-L203 HydrophobicContact CG1-CD2 4.27Å
199T96.3Very high96.4Very high28 Ų2835 Ų3517%0.17219%0.186CC..BIsolated β-bridgetrans-120.7-174.8178.179.20000110.4D174 K201 G202 L203 H223D174-T199 PolarHBondContact OD1-N 3.1Å; D174-T199 PolarHBondContact OD1-OG1 2.94Å; D174-T199 PolarHBondContact OD2-OG1 3.12Å; T199-K201 PolarHBondContact O-N 3.47Å; T199-K201 VanDerWaalsContact O-N 3.16Å; T199-K201 PolarHBondContact OG1-N 2.78Å; T199-G202 PolarHBondContact O-N 3Å; T199-G202 VanDerWaalsContact O-N 3.12Å; T199-L203 PolarHBondContact O-N 3.48Å; T199-H223 HydrophobicContact CG2-CB 3.9Å
200Q95.9Very high96.4Very high64 Ų6432.8 Ų32.830%0.29917%0.173SC..Hα-helixtrans-56.3-26.9171.872.5-81.740.800113.5L203 K204 H223 D227Q200-L203 PolarHBondContact O-N 3.39Å; Q200-K204 WeakPolarHBondContact O-CB 3.48Å; Q200-K204 PolarHBondContact O-N 2.95Å; Q200-H223 PolarHBondContact OE1-O 2.83Å; Q200-D227 HydrophobicContact CB-CB 4.33Å; Q200-D227 HydrophobicContact CG-CB 4.31Å
201K97.7Very high96.3Very high141 Ų14137.3 Ų37.361%0.61320%0.196SC*.Hα-helixtrans-67.7-42.8175.6-67.6179.9-179.1176.10111.7D174 T199 L203 K204 F205D174-K201 HydrophobicContact CB-CB 4.45Å; T199-K201 PolarHBondContact O-N 3.47Å; T199-K201 VanDerWaalsContact O-N 3.16Å; T199-K201 PolarHBondContact OG1-N 2.78Å; K201-L203 VanDerWaalsContact C-N 3.33Å; K201-L203 PolarHBondContact O-N 3.42Å; K201-K204 WeakPolarHBondContact O-CB 3.38Å; K201-K204 PolarHBondContact O-N 2.94Å; K201-F205 WeakPolarHBondContact O-CD2 3.4Å; K201-F205 PolarHBondContact O-N 3.43Å
202G97.7Very high96.2Very high0 Ų038.9 Ų38.90%021%0.205CC..Hα-helixtrans-58.9-47174.600000111.2D174 C177 T199 K204 F205 I206D174-G202 VanDerWaalsContact CG-N 3.29Å; D174-G202 WeakPolarHBondContact OD1-CA 3.32Å; D174-G202 PolarHBondContact OD1-N 2.82Å; C177-G202 VanDerWaalsContact CB-CA 3.49Å; C177-G202 VanDerWaalsContact CB-O 3.3Å; C177-G202 WeakPolarHBondContact CB-O 3.45Å; T199-G202 PolarHBondContact O-N 3Å; T199-G202 VanDerWaalsContact O-N 3.12Å; G202-K204 VanDerWaalsContact C-N 3.3Å; G202-K204 PolarHBondContact O-N 3.41Å; G202-F205 PolarHBondContact O-N 2.85Å; G202-I206 WeakPolarHBondContact O-CG1 3.41Å; G202-I206 PolarHBondContact O-N 3.24Å
203L98.2Very high96.3Very high0 Ų038.8 Ų38.80%020%0.204CC..Hα-helixtrans-62.6-36.1176.1-62.7-167.2000113L192 V198 T199 Q200 K201 I206 S207 I218 V224 I232L192-L203 HydrophobicContact CD1-CD2 4.27Å; V198-L203 HydrophobicContact CG1-CD2 4.27Å; T199-L203 PolarHBondContact O-N 3.48Å; Q200-L203 PolarHBondContact O-N 3.39Å; K201-L203 VanDerWaalsContact C-N 3.33Å; K201-L203 PolarHBondContact O-N 3.42Å; L203-I206 PolarHBondContact O-N 2.75Å; L203-S207 WeakPolarHBondContact O-CB 3.42Å; L203-S207 PolarHBondContact O-N 3Å; L203-I218 HydrophobicContact CD1-CD1 4.06Å; L203-I218 HydrophobicContact CD1-CG2 4.43Å; L203-I218 HydrophobicContact CD2-CG2 3.81Å; L203-V224 HydrophobicContact CD1-CB 4.35Å; L203-V224 HydrophobicContact CD1-CG1 3.48Å; L203-V224 VanDerWaalsContact CD1-CG1 3.48Å; L203-V224 HydrophobicContact CD1-CG2 3.86Å; L203-V224 HydrophobicContact CG-CG2 4.25Å; L203-I232 HydrophobicContact CB-CD1 4.34Å; L203-I232 HydrophobicContact CB-CG1 4.06Å; L203-I232 HydrophobicContact CD1-CG1 4.44Å; L203-I232 WeakPolarHBondContact O-CD1 3.33Å
204K98.1Very high96.3Very high120 Ų12039.3 Ų39.352%0.52221%0.206SC..Hα-helixtrans-59.9-48.2172.9-176.3174180174.40111.7Q200 K201 G202 I206 S207 D208 A231Q200-K204 WeakPolarHBondContact O-CB 3.48Å; Q200-K204 PolarHBondContact O-N 2.95Å; K201-K204 WeakPolarHBondContact O-CB 3.38Å; K201-K204 PolarHBondContact O-N 2.94Å; G202-K204 VanDerWaalsContact C-N 3.3Å; G202-K204 PolarHBondContact O-N 3.41Å; K204-I206 VanDerWaalsContact C-N 3.32Å; K204-I206 PolarHBondContact O-N 3.13Å; K204-S207 WeakPolarHBondContact O-CB 3.46Å; K204-S207 PolarHBondContact O-N 2.88Å; K204-S207 VanDerWaalsContact O-N 3.08Å; K204-S207 PolarHBondContact O-OG 3.15Å; K204-D208 VanDerWaalsContact O-CG 3.3Å; K204-D208 PolarHBondContact O-N 2.87Å; K204-A231 HydrophobicContact CB-CB 4.32Å
205F98.3Very high96.5Very high69 Ų6939.1 Ų39.130%0.30320%0.204SC..Hα-helixtrans-60-40.6176.7-68.5-54.9000113.1C177 E178 G181 K201 G202 G209C177-F205 HydrophobicContact CB-CB 4.49Å; E178-F205 HydrophobicContact CB-CB 4.43Å; E178-F205 HydrophobicContact CB-CD1 4.21Å; E178-F205 HydrophobicContact CB-CD2 3.68Å; E178-F205 HydrophobicContact CB-CE1 4.35Å; E178-F205 HydrophobicContact CB-CE2 3.85Å; E178-F205 HydrophobicContact CB-CG 3.87Å; E178-F205 HydrophobicContact CB-CZ 4.18Å; E178-F205 HydrophobicContact CG-CD1 4.08Å; E178-F205 HydrophobicContact CG-CD2 4.34Å; E178-F205 HydrophobicContact CG-CE1 3.96Å; E178-F205 HydrophobicContact CG-CE2 4.24Å; E178-F205 HydrophobicContact CG-CG 4.27Å; E178-F205 HydrophobicContact CG-CZ 4.04Å; G181-F205 WeakPolarHBondContact CA-O 3.34Å; K201-F205 WeakPolarHBondContact O-CD2 3.4Å; K201-F205 PolarHBondContact O-N 3.43Å; G202-F205 PolarHBondContact O-N 2.85Å; F205-G209 PolarHBondContact O-N 3.06Å
206I98.4Very high96.8Very high0 Ų039.1 Ų39.10%020%0.204CC..Hα-helixtrans-62.3-46.2173.2-63.8-56.5000110.2C177 L180 L190 G202 L203 K204 D208 G209 C210 L213 I232C177-I206 HydrophobicContact CB-CD1 4Å; C177-I206 HydrophobicContact CB-CG1 3.93Å; L180-I206 HydrophobicContact CB-CD1 3.79Å; L180-I206 HydrophobicContact CD1-CD1 4.2Å; L190-I206 HydrophobicContact CD2-CD1 3.84Å; L190-I206 HydrophobicContact CD2-CG1 3.96Å; L190-I206 HydrophobicContact CD2-CG2 3.93Å; G202-I206 WeakPolarHBondContact O-CG1 3.41Å; G202-I206 PolarHBondContact O-N 3.24Å; L203-I206 PolarHBondContact O-N 2.75Å; K204-I206 VanDerWaalsContact C-N 3.32Å; K204-I206 PolarHBondContact O-N 3.13Å; I206-D208 VanDerWaalsContact C-N 3.32Å; I206-D208 PolarHBondContact O-N 3.33Å; I206-G209 PolarHBondContact O-N 3.13Å; I206-C210 HydrophobicContact CG2-CB 4.05Å; I206-C210 WeakPolarHBondContact O-CA 3.29Å; I206-C210 WeakPolarHBondContact O-CB 3.44Å; I206-C210 PolarHBondContact O-N 3.49Å; I206-L213 HydrophobicContact CG2-CD2 4.11Å; I206-I232 HydrophobicContact CB-CD1 4.31Å; I206-I232 HydrophobicContact CG2-CD1 4.07Å
207S97.6Very high97.3Very high0 Ų037.2 Ų37.20%019%0.19CC..Hα-helixtrans-62-37.9-179.182.10000112.8L203 K204 G209 L211 A231 N235L203-S207 WeakPolarHBondContact O-CB 3.42Å; L203-S207 PolarHBondContact O-N 3Å; K204-S207 WeakPolarHBondContact O-CB 3.46Å; K204-S207 PolarHBondContact O-N 2.88Å; K204-S207 VanDerWaalsContact O-N 3.08Å; K204-S207 PolarHBondContact O-OG 3.15Å; S207-G209 VanDerWaalsContact C-N 3.28Å; S207-G209 PolarHBondContact O-N 3.45Å; S207-L211 WeakPolarHBondContact O-CD2 3.37Å; S207-A231 VanDerWaalsContact CB-O 3.32Å; S207-A231 WeakPolarHBondContact CB-O 3.39Å; S207-N235 WeakPolarHBondContact O-CB 3.45Å; S207-N235 PolarHBondContact O-ND2 2.94Å; S207-N235 PolarHBondContact OG-ND2 2.98Å
208D97.6Very high97.5Very high89 Ų8936 Ų3648%0.47618%0.177SC..Hα-helixtrans-73.7-22.8-179.1-67.7-19.9000112K204 I206 N235K204-D208 VanDerWaalsContact O-CG 3.3Å; K204-D208 PolarHBondContact O-N 2.87Å; I206-D208 VanDerWaalsContact C-N 3.32Å; I206-D208 PolarHBondContact O-N 3.33Å; D208-N235 PolarHBondContact OD1-ND2 3.16Å
209G96Very high97.6Very high4 Ų435.9 Ų35.94%0.04118%0.177CC..Hα-helixtrans-110.4-41.3-171.400000116G181 K185 F205 I206 S207 L211G181-G209 WeakPolarHBondContact O-CA 3.43Å; K185-G209 WeakPolarHBondContact CD-O 3.25Å; F205-G209 PolarHBondContact O-N 3.06Å; I206-G209 PolarHBondContact O-N 3.13Å; S207-G209 VanDerWaalsContact C-N 3.28Å; S207-G209 PolarHBondContact O-N 3.45Å; G209-L211 PolarHBondContact O-N 3.35Å
210C96.9Very high97.6Very high0 Ų039.8 Ų39.80%019%0.188CC..  trans-101.962.9-170.2-57.90000110.5C184 I187 I206 N212 L213C184-C210 PolarHBondContact O-SG 3.07Å; I187-C210 HydrophobicContact CB-CB 4.29Å; I206-C210 HydrophobicContact CG2-CB 4.05Å; I206-C210 WeakPolarHBondContact O-CA 3.29Å; I206-C210 WeakPolarHBondContact O-CB 3.44Å; I206-C210 PolarHBondContact O-N 3.49Å; C210-N212 PolarHBondContact O-N 3.48Å; C210-N212 VanDerWaalsContact O-N 3.13Å; C210-L213 VanDerWaalsContact O-CB 3.3Å; C210-L213 WeakPolarHBondContact O-CB 3.41Å; C210-L213 PolarHBondContact O-N 2.9Å; C210-L213 VanDerWaalsContact O-N 3.14Å
211L96.8Very high97.5Very high95 Ų9536.7 Ų36.750%0.49717%0.174SC..THydrogen-bonded Turntrans-66.2-15.6-175.2-56.4178.5000114.2S207 G209 L213 N235S207-L211 WeakPolarHBondContact O-CD2 3.37Å; G209-L211 PolarHBondContact O-N 3.35Å; L211-L213 VanDerWaalsContact C-N 3.35Å; L211-N235 HydrophobicContact CD2-CB 4.17Å
212N96.9Very high96.9Very high59 Ų5933.8 Ų33.832%0.31617%0.165SC..THydrogen-bonded Turntrans-92.39.7177.6-66.4-57.9000113.4K185 I187 Q188 C210 E214K185-N212 PolarHBondContact O-ND2 3.46Å; I187-N212 CarbonylContact O-C 3.52Å; Q188-N212 HydrophobicContact CG-CB 4.35Å; Q188-N212 WeakPolarHBondContact CG-O 3.49Å; C210-N212 PolarHBondContact O-N 3.48Å; C210-N212 VanDerWaalsContact O-N 3.13Å; N212-E214 WeakPolarHBondContact O-CG 3.34Å; N212-E214 PolarHBondContact O-N 3.27Å
213L98.3Very high96.7Very high0 Ų039.4 Ų39.40%019%0.191CC..  trans-61.3122.8-177.9-167.969.7000110.9I187 L190 I206 C210 L211 L216 I232 C236 R238 L239I187-L213 HydrophobicContact CG2-CD1 3.84Å; I187-L213 PolarHBondContact O-N 2.92Å; L190-L213 HydrophobicContact CB-CD1 3.82Å; I206-L213 HydrophobicContact CG2-CD2 4.11Å; C210-L213 VanDerWaalsContact O-CB 3.3Å; C210-L213 WeakPolarHBondContact O-CB 3.41Å; C210-L213 PolarHBondContact O-N 2.9Å; C210-L213 VanDerWaalsContact O-N 3.14Å; L211-L213 VanDerWaalsContact C-N 3.35Å; L213-L216 HydrophobicContact CD2-CB 4.02Å; L213-L216 HydrophobicContact CD2-CD1 4.3Å; L213-L216 HydrophobicContact CD2-CD2 4.22Å; L213-L216 HydrophobicContact CD2-CG 4.4Å; L213-I232 HydrophobicContact CD2-CD1 4.37Å; L213-C236 HydrophobicContact CB-CB 4.12Å; L213-C236 HydrophobicContact CD2-CB 4.49Å; L213-R238 CarbonylContact O-C 3.6Å; L213-L239 HydrophobicContact CD2-CD1 4.46Å; L213-L239 HydrophobicContact CG-CD1 4.32Å; L213-L239 PolarHBondContact O-N 2.92Å
214E98.4Very high96.5Very high39 Ų3939.4 Ų39.418%0.18219%0.191CC..  trans-112.7-29.9179.2-54.2-162.4158.700111.8Q188 N212 R238 R240 T241Q188-E214 HydrophobicContact CB-CG 4.38Å; Q188-E214 WeakPolarHBondContact O-CA 3.45Å; Q188-E214 PolarHBondContact O-N 3.42Å; N212-E214 WeakPolarHBondContact O-CG 3.34Å; N212-E214 PolarHBondContact O-N 3.27Å; E214-R238 WeakPolarHBondContact CA-O 3.31Å; E214-R238 HydrophobicContact CG-CB 4.34Å; E214-R238 IonicContact OE1-CZ 3.52Å; E214-R238 IonicContact OE1-NE 3.86Å; E214-R238 PolarHBondContact OE1-NE 3.19Å; E214-R238 IonicContact OE1-NH2 2.77Å; E214-R238 PolarHBondContact OE1-NH2 3.32Å; E214-R240 WeakPolarHBondContact O-CA 3.37Å; E214-R240 PolarHBondContact O-N 3.44Å; E214-T241 PolarHBondContact O-N 3Å
215C98.7Very high96.4Very high29 Ų2935.8 Ų35.820%0.19618%0.179CC..EExtended strand (participates in β ladder)trans-132.8123.4178.7177.90000110.7Q188 V189 L190 T241Q188-C215 PolarHBondContact O-N 3.11Å; V189-C215 WeakPolarHBondContact CA-O 3.39Å; V189-C215 HydrophobicContact CB-CB 4.3Å; V189-C215 HydrophobicContact CG1-CB 3.99Å; V189-C215 HydrophobicContact CG2-CB 4.07Å; L190-C215 PolarHBondContact N-O 3.17Å; C215-T241 WeakPolarHBondContact CA-O 3.48Å; C215-T241 HydrophobicContact CB-CG2 4.5Å; C215-T241 VanDerWaalsContact SG-CG2 3.6Å
216L98.6Very high96.4Very high0 Ų033.5 Ų33.50%017%0.17CC..EExtended strand (participates in β ladder)trans-127.8125.2176-178.761.2000110.2L190 L213 I218 I232 L239 T241 L242 I243L190-L216 HydrophobicContact CB-CD1 4.2Å; L190-L216 HydrophobicContact CD2-CD1 4.2Å; L190-L216 HydrophobicContact CG-CD1 4.27Å; L190-L216 WeakPolarHBondContact O-CA 3.48Å; L213-L216 HydrophobicContact CD2-CB 4.02Å; L213-L216 HydrophobicContact CD2-CD1 4.3Å; L213-L216 HydrophobicContact CD2-CD2 4.22Å; L213-L216 HydrophobicContact CD2-CG 4.4Å; L216-I218 HydrophobicContact CD1-CG2 3.8Å; L216-I218 HydrophobicContact CD2-CG2 4.04Å; L216-I218 HydrophobicContact CG-CG2 3.83Å; L216-I232 HydrophobicContact CD2-CB 4.49Å; L216-I232 HydrophobicContact CD2-CD1 3.97Å; L216-I232 HydrophobicContact CD2-CG1 3.94Å; L216-I232 HydrophobicContact CD2-CG2 3.88Å; L216-L239 HydrophobicContact CB-CD1 3.99Å; L216-T241 PolarHBondContact N-O 3.22Å; L216-L242 HydrophobicContact CB-CD1 4.29Å; L216-L242 HydrophobicContact CD2-CD1 4.23Å; L216-L242 HydrophobicContact CG-CD1 4.41Å; L216-L242 WeakPolarHBondContact O-CA 3.26Å; L216-I243 PolarHBondContact O-N 3.29Å
217N98.6Very high96.3Very high17 Ų1738.8 Ų38.89%0.09120%0.198CC..EExtended strand (participates in β ladder)trans-115.4120.3166.9-176.8-1.9000109.5L190 N191 L192 S219 I243L190-N217 PolarHBondContact O-N 2.8Å; N191-N217 HydrophobicContact CB-CB 4.43Å; N191-N217 PolarHBondContact OD1-ND2 3.29Å; L192-N217 WeakPolarHBondContact CA-O 3.39Å; L192-N217 WeakPolarHBondContact CB-O 3.43Å; L192-N217 PolarHBondContact N-O 3.2Å; N217-S219 VanDerWaalsContact OD1-CB 3.23Å; N217-S219 WeakPolarHBondContact OD1-CB 3.34Å; N217-S219 PolarHBondContact OD1-N 3.42Å; N217-S219 PolarHBondContact OD1-OG 3.25Å; N217-I243 WeakPolarHBondContact CA-O 3.48Å; N217-I243 HydrophobicContact CB-CB 4.03Å; N217-I243 HydrophobicContact CB-CD1 4.48Å; N217-I243 PolarHBondContact OD1-O 2.98Å
218I97.6Very high96.3Very high0 Ų038.8 Ų38.80%020%0.198CC..  trans-122.823.5177.855.5162.6000111.5L192 L203 L216 W220 C221 V224 L229 I243 C244 C247L192-I218 HydrophobicContact CB-CG2 4.46Å; L192-I218 HydrophobicContact CD1-CG2 4.31Å; L203-I218 HydrophobicContact CD1-CD1 4.06Å; L203-I218 HydrophobicContact CD1-CG2 4.43Å; L203-I218 HydrophobicContact CD2-CG2 3.81Å; L216-I218 HydrophobicContact CD1-CG2 3.8Å; L216-I218 HydrophobicContact CD2-CG2 4.04Å; L216-I218 HydrophobicContact CG-CG2 3.83Å; I218-W220 PolarHBondContact O-N 3.32Å; I218-C221 HydrophobicContact CB-CB 4.47Å; I218-C221 VanDerWaalsContact O-CB 3.23Å; I218-C221 WeakPolarHBondContact O-CB 3.3Å; I218-C221 PolarHBondContact O-N 3.41Å; I218-C221 VanDerWaalsContact O-N 3.14Å; I218-C221 PolarHBondContact O-SG 3.08Å; I218-V224 HydrophobicContact CD1-CG1 3.95Å; I218-L229 HydrophobicContact CD1-CD2 3.91Å; I218-I243 PolarHBondContact N-O 3.2Å; I218-C244 HydrophobicContact CD1-CB 4.41Å; I218-C244 HydrophobicContact CG1-CB 4.21Å; I218-C247 PolarHBondContact O-SG 3.18Å
219S97.2Very high96.3Very high0 Ų034.6 Ų34.60%018%0.176CC..THydrogen-bonded Turntrans-53.6136.7-178.5-61.20000111.7D193 C194 N217 C221 I243 K245D193-S219 CarbonylContact C-O 3.31Å; D193-S219 WeakPolarHBondContact CA-O 3.34Å; C194-S219 PolarHBondContact N-O 3.44Å; N217-S219 VanDerWaalsContact OD1-CB 3.23Å; N217-S219 WeakPolarHBondContact OD1-CB 3.34Å; N217-S219 PolarHBondContact OD1-N 3.42Å; N217-S219 PolarHBondContact OD1-OG 3.25Å; S219-C221 PolarHBondContact O-N 3.29Å; S219-C221 VanDerWaalsContact O-N 3.14Å; S219-I243 WeakPolarHBondContact OG-CG2 3.4Å; S219-K245 CarbonylContact C-O 3.51Å; S219-K245 VanDerWaalsContact CA-O 3.28Å; S219-K245 WeakPolarHBondContact CA-O 3.3Å; S219-K245 WeakPolarHBondContact OG-CB 3.26Å; S219-K245 WeakPolarHBondContact OG-CG 3.43Å; S219-K245 PolarHBondContact OG-N 2.78Å
220W95.2Very high96.4Very high109 Ų10934.5 Ų34.541%0.41317%0.174SC..THydrogen-bonded Turntrans59.919.6179.2-46.6104000114.4I218 N222 K245I218-W220 PolarHBondContact O-N 3.32Å; W220-N222 VanDerWaalsContact C-N 3.3Å; W220-N222 PolarHBondContact O-N 3.24Å; W220-N222 VanDerWaalsContact O-N 3.15Å; W220-K245 PolarHBondContact N-O 3.02Å
221C93.8Very high96.4Very high0 Ų035.2 Ų35.20%018%0.18CC..  trans-81.675.5164.1-67.30000109.8L192 V195 I218 S219 H223 V224L192-C221 PolarHBondContact O-SG 3.32Å; V195-C221 PolarHBondContact O-SG 3.25Å; V195-C221 VanDerWaalsContact O-SG 3.37Å; I218-C221 HydrophobicContact CB-CB 4.47Å; I218-C221 VanDerWaalsContact O-CB 3.23Å; I218-C221 WeakPolarHBondContact O-CB 3.3Å; I218-C221 PolarHBondContact O-N 3.41Å; I218-C221 VanDerWaalsContact O-N 3.14Å; I218-C221 PolarHBondContact O-SG 3.08Å; S219-C221 PolarHBondContact O-N 3.29Å; S219-C221 VanDerWaalsContact O-N 3.14Å; C221-H223 PolarHBondContact O-N 2.87Å; C221-V224 HydrophobicContact CB-CB 4.43Å; C221-V224 HydrophobicContact CB-CG2 3.68Å; C221-V224 WeakPolarHBondContact O-CB 2.93Å; C221-V224 PolarHBondContact O-N 2.97Å
222N87.1Confident96.5Very high79 Ų7930.8 Ų30.842%0.42216%0.157SC..THydrogen-bonded Turntrans-61.6-14.4-169.9-60.2-23.9000115.7W220 G246W220-N222 VanDerWaalsContact C-N 3.3Å; W220-N222 PolarHBondContact O-N 3.24Å; W220-N222 VanDerWaalsContact O-N 3.15Å; N222-G246 PolarHBondContact OD1-O 2.77Å
223H92.1Very high96.5Very high119 Ų11928 Ų2855%0.55114%0.142SC*.BIsolated β-bridgetrans-98.84.5178-63.4-56.4000113.4S196 T199 Q200 C221S196-H223 PolarHBondContact O-CD2 3.16Å; T199-H223 HydrophobicContact CG2-CB 3.9Å; Q200-H223 PolarHBondContact OE1-O 2.83Å; C221-H223 PolarHBondContact O-N 2.87Å
224V94.7Very high96.4Very high0 Ų033.3 Ų33.30%016%0.162CC..  trans-78.7131.9169.51730000109.5L203 I218 C221 L250L203-V224 HydrophobicContact CD1-CB 4.35Å; L203-V224 HydrophobicContact CD1-CG1 3.48Å; L203-V224 VanDerWaalsContact CD1-CG1 3.48Å; L203-V224 HydrophobicContact CD1-CG2 3.86Å; L203-V224 HydrophobicContact CG-CG2 4.25Å; I218-V224 HydrophobicContact CD1-CG1 3.95Å; C221-V224 HydrophobicContact CB-CB 4.43Å; C221-V224 HydrophobicContact CB-CG2 3.68Å; C221-V224 WeakPolarHBondContact O-CB 2.93Å; C221-V224 PolarHBondContact O-N 2.97Å; V224-L250 HydrophobicContact CG1-CD2 4.32Å
225T95.7Very high96.3Very high43 Ų4334.5 Ų34.526%0.26417%0.17SC..  trans-115.4176.4176.464.90000110.9D227 G228 L229T225-D227 PolarHBondContact O-N 3.29Å; T225-G228 PolarHBondContact O-N 3.48Å; T225-L229 PolarHBondContact O-N 2.94Å
226D97.9Very high96.2Very high22 Ų2233.1 Ų33.112%0.11816%0.161CC..Hα-helixtrans-52.7-35.2175.9-61.7-34.4000113.3G228 L229 A230 L250 T251 D253 G254D226-G228 PolarHBondContact O-N 3.31Å; D226-L229 PolarHBondContact O-N 3.24Å; D226-A230 VanDerWaalsContact O-CB 3.26Å; D226-A230 WeakPolarHBondContact O-CB 3.43Å; D226-A230 PolarHBondContact O-N 2.79Å; D226-L250 WeakPolarHBondContact OD1-CA 3.46Å; D226-T251 PolarHBondContact OD1-N 3.29Å; D226-T251 WeakPolarHBondContact OD2-CB 3.46Å; D226-T251 PolarHBondContact OD2-N 2.75Å; D226-T251 PolarHBondContact OD2-OG1 3.15Å; D226-D253 HydrophobicContact CB-CB 4.44Å; D226-G254 WeakPolarHBondContact OD1-CA 3.34Å; D226-G254 PolarHBondContact OD1-N 2.94Å; D226-G254 VanDerWaalsContact OD1-N 3.13Å
227D97.5Very high96Very high110 Ų11041.8 Ų41.859%0.58819%0.193SC*.Hα-helixtrans-57.8-36.5175-70-31.1000112.8Q200 T225 A230 A231Q200-D227 HydrophobicContact CB-CB 4.33Å; Q200-D227 HydrophobicContact CG-CB 4.31Å; T225-D227 PolarHBondContact O-N 3.29Å; D227-A230 PolarHBondContact O-N 2.98Å; D227-A231 PolarHBondContact O-N 3.21Å
228G96.9Very high95.9Very high0 Ų046.4 Ų46.40%021%0.209CC..Hα-helixtrans-68.7-44.6178.300000111.5T225 D226 A230 A231 I232T225-G228 PolarHBondContact O-N 3.48Å; D226-G228 PolarHBondContact O-N 3.31Å; G228-A230 VanDerWaalsContact C-N 3.33Å; G228-A231 PolarHBondContact O-N 3.27Å; G228-I232 WeakPolarHBondContact O-CG1 3.41Å; G228-I232 PolarHBondContact O-N 3.2Å
229L97.2Very high95.9Very high2 Ų246.4 Ų46.41%0.0121%0.21CC..Hα-helixtrans-64-39.8172.2-75.7-168.7000111.9I218 T225 D226 A231 I232 A233 L242 L250I218-L229 HydrophobicContact CD1-CD2 3.91Å; T225-L229 PolarHBondContact O-N 2.94Å; D226-L229 PolarHBondContact O-N 3.24Å; L229-A231 VanDerWaalsContact C-N 3.28Å; L229-A231 PolarHBondContact O-N 3.35Å; L229-I232 PolarHBondContact O-N 3.11Å; L229-A233 VanDerWaalsContact O-CB 3.28Å; L229-A233 WeakPolarHBondContact O-CB 3.45Å; L229-A233 PolarHBondContact O-N 3.43Å; L229-L242 HydrophobicContact CD2-CD1 4.32Å; L229-L242 HydrophobicContact CD2-CD2 4.23Å; L229-L250 HydrophobicContact CD1-CD1 3.75Å; L229-L250 HydrophobicContact CD1-CD2 3.54Å; L229-L250 HydrophobicContact CD1-CG 4.21Å; L229-L250 HydrophobicContact CG-CD1 4.46Å; L229-L250 HydrophobicContact CG-CD2 3.74Å
230A98Very high96Very high1 Ų150.1 Ų50.11%0.00822%0.224CC..Hα-helixtrans-63.6-34.8178.900000112.1D226 D227 G228 R234 Y257D226-A230 VanDerWaalsContact O-CB 3.26Å; D226-A230 WeakPolarHBondContact O-CB 3.43Å; D226-A230 PolarHBondContact O-N 2.79Å; D227-A230 PolarHBondContact O-N 2.98Å; G228-A230 VanDerWaalsContact C-N 3.33Å; A230-R234 WeakPolarHBondContact O-CB 3.37Å; A230-R234 VanDerWaalsContact O-CG 3.23Å; A230-R234 WeakPolarHBondContact O-CG 3.31Å; A230-R234 PolarHBondContact O-N 3.27Å; A230-R234 PolarHBondContact O-NH1 2.94Å; A230-R234 VanDerWaalsContact O-NH1 3.08Å; A230-Y257 HydrophobicContact CB-CD1 4.18Å; A230-Y257 HydrophobicContact CB-CD2 3.24Å; A230-Y257 HydrophobicContact CB-CE1 4.45Å; A230-Y257 HydrophobicContact CB-CE2 3.55Å; A230-Y257 HydrophobicContact CB-CG 3.57Å
231A97.9Very high96.1Very high16 Ų1646.4 Ų46.413%0.13221%0.213CC..Hα-helixtrans-67.5-49.417400000111.2K204 S207 D227 G228 L229 N235K204-A231 HydrophobicContact CB-CB 4.32Å; S207-A231 VanDerWaalsContact CB-O 3.32Å; S207-A231 WeakPolarHBondContact CB-O 3.39Å; D227-A231 PolarHBondContact O-N 3.21Å; G228-A231 PolarHBondContact O-N 3.27Å; L229-A231 VanDerWaalsContact C-N 3.28Å; L229-A231 PolarHBondContact O-N 3.35Å; A231-N235 PolarHBondContact O-N 3.01Å
232I98.2Very high96.4Very high1 Ų146.5 Ų46.51%0.00521%0.213CC..Hα-helixtrans-59.4-50.9177.5-66.2-69.2000110.9L203 I206 L213 L216 G228 L229 R234 N235 C236 L239L203-I232 HydrophobicContact CB-CD1 4.34Å; L203-I232 HydrophobicContact CB-CG1 4.06Å; L203-I232 HydrophobicContact CD1-CG1 4.44Å; L203-I232 WeakPolarHBondContact O-CD1 3.33Å; I206-I232 HydrophobicContact CB-CD1 4.31Å; I206-I232 HydrophobicContact CG2-CD1 4.07Å; L213-I232 HydrophobicContact CD2-CD1 4.37Å; L216-I232 HydrophobicContact CD2-CB 4.49Å; L216-I232 HydrophobicContact CD2-CD1 3.97Å; L216-I232 HydrophobicContact CD2-CG1 3.94Å; L216-I232 HydrophobicContact CD2-CG2 3.88Å; G228-I232 WeakPolarHBondContact O-CG1 3.41Å; G228-I232 PolarHBondContact O-N 3.2Å; L229-I232 PolarHBondContact O-N 3.11Å; I232-R234 VanDerWaalsContact C-N 3.33Å; I232-R234 PolarHBondContact O-N 3.38Å; I232-N235 PolarHBondContact O-N 2.85Å; I232-C236 HydrophobicContact CG2-CB 4.18Å; I232-C236 WeakPolarHBondContact O-CA 3.04Å; I232-C236 WeakPolarHBondContact O-CB 3.37Å; I232-C236 PolarHBondContact O-N 2.8Å; I232-L239 HydrophobicContact CG2-CD2 4.13Å
233A97.2Very high96.9Very high1 Ų144.3 Ų44.31%0.00820%0.202CC..Hα-helixtrans-59.7-41.9-175.500000112.4L229 Y257 V258 S261L229-A233 VanDerWaalsContact O-CB 3.28Å; L229-A233 WeakPolarHBondContact O-CB 3.45Å; L229-A233 PolarHBondContact O-N 3.43Å; A233-Y257 WeakPolarHBondContact CB-O 3.41Å; A233-V258 HydrophobicContact CB-CG2 4.49Å; A233-S261 WeakPolarHBondContact O-CB 3.48Å
234R96.2Very high97.1Very high112 Ų11238.7 Ų38.742%0.42318%0.175SC..Hα-helixtrans-67.8-39.1-178.3-73-178.6-170.1106.4-7.5113.6A230 I232A230-R234 WeakPolarHBondContact O-CB 3.37Å; A230-R234 VanDerWaalsContact O-CG 3.23Å; A230-R234 WeakPolarHBondContact O-CG 3.31Å; A230-R234 PolarHBondContact O-N 3.27Å; A230-R234 PolarHBondContact O-NH1 2.94Å; A230-R234 VanDerWaalsContact O-NH1 3.08Å; I232-R234 VanDerWaalsContact C-N 3.33Å; I232-R234 PolarHBondContact O-N 3.38Å
235N96.9Very high97.1Very high64 Ų6441.3 Ų41.334%0.34219%0.187SC..Hα-helixtrans-97.9-37.2-172-69.6-16000113.2S207 D208 L211 A231 I232 R237S207-N235 WeakPolarHBondContact O-CB 3.45Å; S207-N235 PolarHBondContact O-ND2 2.94Å; S207-N235 PolarHBondContact OG-ND2 2.98Å; D208-N235 PolarHBondContact OD1-ND2 3.16Å; L211-N235 HydrophobicContact CD2-CB 4.17Å; A231-N235 PolarHBondContact O-N 3.01Å; I232-N235 PolarHBondContact O-N 2.85Å; N235-R237 PolarHBondContact O-N 3.24Å
236C96.4Very high96.9Very high0 Ų039.3 Ų39.30%018%0.175CC..  trans-91.361.5-177-58.50000111.6L213 I232 R238 L239L213-C236 HydrophobicContact CB-CB 4.12Å; L213-C236 HydrophobicContact CD2-CB 4.49Å; I232-C236 HydrophobicContact CG2-CB 4.18Å; I232-C236 WeakPolarHBondContact O-CA 3.04Å; I232-C236 WeakPolarHBondContact O-CB 3.37Å; I232-C236 PolarHBondContact O-N 2.8Å; C236-R238 PolarHBondContact O-N 2.93Å; C236-L239 VanDerWaalsContact O-CB 3.32Å; C236-L239 WeakPolarHBondContact O-CB 3.26Å; C236-L239 PolarHBondContact O-N 2.74Å; C236-L239 VanDerWaalsContact O-N 3.08Å
237R94.1Very high96.7Very high182 Ų18238.3 Ų38.369%0.68717%0.169SC*.THydrogen-bonded Turntrans-64.9-8.2-174.6-61-173.3-177.5-179.5-2.3115.6N235N235-R237 PolarHBondContact O-N 3.24Å
238R96.4Very high96.2Very high113 Ų11336.2 Ų36.243%0.42616%0.161SC..THydrogen-bonded Turntrans-93.96.7177.2-64.5-17663.2167.61113L213 E214 C236 R240L213-R238 CarbonylContact O-C 3.6Å; E214-R238 WeakPolarHBondContact CA-O 3.31Å; E214-R238 HydrophobicContact CG-CB 4.34Å; E214-R238 IonicContact OE1-CZ 3.52Å; E214-R238 IonicContact OE1-NE 3.86Å; E214-R238 PolarHBondContact OE1-NE 3.19Å; E214-R238 IonicContact OE1-NH2 2.77Å; E214-R238 PolarHBondContact OE1-NH2 3.32Å; C236-R238 PolarHBondContact O-N 2.93Å; R238-R240 PolarHBondContact O-N 3.34Å
239L98.1Very high95.9Very high1 Ų137.5 Ų37.51%0.00517%0.174CC..  trans-62.3119.3-177.7-163.871.6000110.7L213 L216 I232 C236 L242 D264 L265L213-L239 HydrophobicContact CD2-CD1 4.46Å; L213-L239 HydrophobicContact CG-CD1 4.32Å; L213-L239 PolarHBondContact O-N 2.92Å; L216-L239 HydrophobicContact CB-CD1 3.99Å; I232-L239 HydrophobicContact CG2-CD2 4.13Å; C236-L239 VanDerWaalsContact O-CB 3.32Å; C236-L239 WeakPolarHBondContact O-CB 3.26Å; C236-L239 PolarHBondContact O-N 2.74Å; C236-L239 VanDerWaalsContact O-N 3.08Å; L239-L242 HydrophobicContact CD2-CB 4.06Å; L239-L242 HydrophobicContact CD2-CD1 4.29Å; L239-L242 HydrophobicContact CD2-CD2 4.33Å; L239-L242 HydrophobicContact CD2-CG 4.45Å; L239-D264 CarbonylContact O-C 3.58Å; L239-L265 HydrophobicContact CD2-CD1 4.38Å; L239-L265 HydrophobicContact CG-CD1 4.27Å; L239-L265 PolarHBondContact O-N 2.77Å
240R98.2Very high95.7Very high78 Ų7837.5 Ų37.529%0.29417%0.174SC..  trans-108.8-28.5177.9-67.4172.2-175.7-105.7-4.9111.9E214 R238 R266 V267E214-R240 WeakPolarHBondContact O-CA 3.37Å; E214-R240 PolarHBondContact O-N 3.44Å; R238-R240 PolarHBondContact O-N 3.34Å; R240-R266 WeakPolarHBondContact O-CA 3.24Å; R240-R266 PolarHBondContact O-N 3.33Å; R240-V267 PolarHBondContact O-N 2.85Å
241T98.6Very high95.7Very high30 Ų3039.9 Ų39.918%0.18419%0.188CC..EExtended strand (participates in β ladder)trans-131.2123.1-178.7-59.70000110.3E214 C215 L216 I243 V267E214-T241 PolarHBondContact O-N 3Å; C215-T241 WeakPolarHBondContact CA-O 3.48Å; C215-T241 HydrophobicContact CB-CG2 4.5Å; C215-T241 VanDerWaalsContact SG-CG2 3.6Å; L216-T241 PolarHBondContact N-O 3.22Å; T241-I243 HydrophobicContact CG2-CD1 4.06Å; T241-I243 HydrophobicContact CG2-CG1 3.95Å; T241-V267 WeakPolarHBondContact CA-O 3.44Å; T241-V267 HydrophobicContact CG2-CB 3.88Å; T241-V267 HydrophobicContact CG2-CG1 3.9Å
242L98.5Very high95.6Very high2 Ų240.2 Ų40.21%0.0119%0.188CC..EExtended strand (participates in β ladder)trans-128.8119.5174.7-178.659.4000109.5L216 L229 L239 C244 V258 L265 V267 L268 N269L216-L242 HydrophobicContact CB-CD1 4.29Å; L216-L242 HydrophobicContact CD2-CD1 4.23Å; L216-L242 HydrophobicContact CG-CD1 4.41Å; L216-L242 WeakPolarHBondContact O-CA 3.26Å; L229-L242 HydrophobicContact CD2-CD1 4.32Å; L229-L242 HydrophobicContact CD2-CD2 4.23Å; L239-L242 HydrophobicContact CD2-CB 4.06Å; L239-L242 HydrophobicContact CD2-CD1 4.29Å; L239-L242 HydrophobicContact CD2-CD2 4.33Å; L239-L242 HydrophobicContact CD2-CG 4.45Å; L242-C244 VanDerWaalsContact CD1-SG 3.54Å; L242-C244 VanDerWaalsContact CG-SG 3.59Å; L242-V258 HydrophobicContact CD2-CG1 4.31Å; L242-V258 HydrophobicContact CD2-CG2 3.88Å; L242-L265 HydrophobicContact CB-CD1 3.91Å; L242-V267 PolarHBondContact N-O 3.12Å; L242-L268 HydrophobicContact CB-CD1 4.12Å; L242-L268 HydrophobicContact CD2-CD1 4.14Å; L242-L268 HydrophobicContact CG-CD1 4.2Å; L242-L268 WeakPolarHBondContact O-CA 3.47Å; L242-N269 PolarHBondContact O-N 2.79Å
243I98.3Very high95.6Very high34 Ų3444.6 Ų44.617%0.17421%0.211CC..EExtended strand (participates in β ladder)trans-122.4115.9-179.4-55.6176.9000108L216 N217 I218 S219 T241 K245 N269L216-I243 PolarHBondContact O-N 3.29Å; N217-I243 WeakPolarHBondContact CA-O 3.48Å; N217-I243 HydrophobicContact CB-CB 4.03Å; N217-I243 HydrophobicContact CB-CD1 4.48Å; N217-I243 PolarHBondContact OD1-O 2.98Å; I218-I243 PolarHBondContact N-O 3.2Å; S219-I243 WeakPolarHBondContact OG-CG2 3.4Å; T241-I243 HydrophobicContact CG2-CD1 4.06Å; T241-I243 HydrophobicContact CG2-CG1 3.95Å; I243-K245 HydrophobicContact CG2-CD 4.39Å; I243-K245 HydrophobicContact CG2-CG 3.91Å; I243-N269 HydrophobicContact CB-CB 4.44Å; I243-N269 HydrophobicContact CG1-CB 4.27Å; I243-N269 HydrophobicContact CG2-CB 4.08Å
244C96.7Very high95.6Very high0 Ų044.5 Ų44.50%021%0.211CC..  trans-129.944.3-174.4-550000111.5I218 L242 G246 C247 L250 N269 L270 C273I218-C244 HydrophobicContact CD1-CB 4.41Å; I218-C244 HydrophobicContact CG1-CB 4.21Å; L242-C244 VanDerWaalsContact CD1-SG 3.54Å; L242-C244 VanDerWaalsContact CG-SG 3.59Å; C244-G246 PolarHBondContact O-N 3.06Å; C244-C247 HydrophobicContact CB-CB 4.28Å; C244-C247 WeakPolarHBondContact O-CB 3.23Å; C244-C247 PolarHBondContact O-N 3.39Å; C244-L250 HydrophobicContact CB-CD1 3.74Å; C244-N269 PolarHBondContact N-O 3.22Å; C244-L270 HydrophobicContact CB-CD2 4.14Å; C244-C273 PolarHBondContact O-SG 2.81Å
245K94.3Very high95.7Very high56 Ų5639.2 Ų39.224%0.24319%0.191CC..THydrogen-bonded Turntrans-63135.8-175.2-52.4-175.6176.7-150.70111.2S219 W220 I243 C247 N269 Q271S219-K245 CarbonylContact C-O 3.51Å; S219-K245 VanDerWaalsContact CA-O 3.28Å; S219-K245 WeakPolarHBondContact CA-O 3.3Å; S219-K245 WeakPolarHBondContact OG-CB 3.26Å; S219-K245 WeakPolarHBondContact OG-CG 3.43Å; S219-K245 PolarHBondContact OG-N 2.78Å; W220-K245 PolarHBondContact N-O 3.02Å; I243-K245 HydrophobicContact CG2-CD 4.39Å; I243-K245 HydrophobicContact CG2-CG 3.91Å; K245-C247 PolarHBondContact O-N 3.17Å; K245-C247 VanDerWaalsContact O-N 3.12Å; K245-N269 VanDerWaalsContact CE-CG 3.43Å; K245-N269 VanDerWaalsContact CE-ND2 3.26Å; K245-N269 WeakPolarHBondContact CE-ND2 3.48Å; K245-N269 WeakPolarHBondContact CE-OD1 3.32Å; K245-N269 WeakPolarHBondContact CG-OD1 2.97Å; K245-Q271 CarbonylContact C-O 3.57Å; K245-Q271 VanDerWaalsContact CA-O 3.25Å; K245-Q271 WeakPolarHBondContact CA-O 3.46Å; K245-Q271 HydrophobicContact CB-CB 4.33Å; K245-Q271 HydrophobicContact CD-CB 4.25Å; K245-Q271 HydrophobicContact CG-CB 4.01Å
246G92.5Very high95.7Very high1 Ų139.6 Ų39.61%0.0119%0.19CC..THydrogen-bonded Turntrans6414.4175.500000115N222 C244 T248 Q271N222-G246 PolarHBondContact OD1-O 2.77Å; C244-G246 PolarHBondContact O-N 3.06Å; G246-T248 VanDerWaalsContact C-N 3.3Å; G246-T248 PolarHBondContact O-N 3.16Å; G246-Q271 PolarHBondContact N-O 3.18Å
247C92.3Very high95.8Very high0 Ų042.6 Ų42.60%020%0.201CC..  trans-76.679.9176.3-69.50000110.4I218 C244 K245 G249 L250I218-C247 PolarHBondContact O-SG 3.18Å; C244-C247 HydrophobicContact CB-CB 4.28Å; C244-C247 WeakPolarHBondContact O-CB 3.23Å; C244-C247 PolarHBondContact O-N 3.39Å; K245-C247 PolarHBondContact O-N 3.17Å; K245-C247 VanDerWaalsContact O-N 3.12Å; C247-G249 PolarHBondContact O-N 2.64Å; C247-L250 HydrophobicContact CB-CD1 3.47Å; C247-L250 VanDerWaalsContact CB-CD1 3.47Å; C247-L250 HydrophobicContact CB-CG 3.73Å; C247-L250 WeakPolarHBondContact O-CB 3.42Å; C247-L250 PolarHBondContact O-N 3.38Å; C247-L250 VanDerWaalsContact O-N 3.15Å
248T87.5Confident96Very high67 Ų6734 Ų3441%0.41117%0.169SC..THydrogen-bonded Turntrans-65.2-16.3-176.151.50000114.8G246 L250 H275G246-T248 VanDerWaalsContact C-N 3.3Å; G246-T248 PolarHBondContact O-N 3.16Å; T248-L250 VanDerWaalsContact C-N 3.27Å; T248-L250 PolarHBondContact O-N 3.24Å; T248-H275 PolarHBondContact O-CD2 2.94Å
249G90Very high96Very high27 Ų2729 Ų2928%0.27815%0.153SC..THydrogen-bonded Turntrans-79.9-1.4174.300000115C247C247-G249 PolarHBondContact O-N 2.64Å
250L94.5Very high95.9Very high2 Ų234.9 Ų34.91%0.0118%0.18CC..  trans-91.3138.9179.6-60.4-179.1000111.9V224 D226 L229 C244 C247 T248 H275V224-L250 HydrophobicContact CG1-CD2 4.32Å; D226-L250 WeakPolarHBondContact OD1-CA 3.46Å; L229-L250 HydrophobicContact CD1-CD1 3.75Å; L229-L250 HydrophobicContact CD1-CD2 3.54Å; L229-L250 HydrophobicContact CD1-CG 4.21Å; L229-L250 HydrophobicContact CG-CD1 4.46Å; L229-L250 HydrophobicContact CG-CD2 3.74Å; C244-L250 HydrophobicContact CB-CD1 3.74Å; C247-L250 HydrophobicContact CB-CD1 3.47Å; C247-L250 VanDerWaalsContact CB-CD1 3.47Å; C247-L250 HydrophobicContact CB-CG 3.73Å; C247-L250 WeakPolarHBondContact O-CB 3.42Å; C247-L250 PolarHBondContact O-N 3.38Å; C247-L250 VanDerWaalsContact O-N 3.15Å; T248-L250 VanDerWaalsContact C-N 3.27Å; T248-L250 PolarHBondContact O-N 3.24Å; L250-H275 WeakPolarHBondContact O-CB 3.23Å
251T96.1Very high95.8Very high50 Ų5032.8 Ų32.831%0.30718%0.177SC..  trans-126.6-177.7174.2810000110.8D226 D253 G254 L276D226-T251 PolarHBondContact OD1-N 3.29Å; D226-T251 WeakPolarHBondContact OD2-CB 3.46Å; D226-T251 PolarHBondContact OD2-N 2.75Å; D226-T251 PolarHBondContact OD2-OG1 3.15Å; T251-D253 PolarHBondContact O-N 3.15Å; T251-D253 PolarHBondContact OG1-N 2.86Å; T251-G254 PolarHBondContact O-N 3.12Å; T251-G254 VanDerWaalsContact O-N 3.1Å; T251-L276 WeakPolarHBondContact O-CD2 3.45Å
252D97.8Very high95.7Very high24 Ų2431.3 Ų31.313%0.12817%0.168CC..Hα-helixtrans-59-26.8177.8-62.2-31.9000112.6G254 L255 K256 T277 Q279 G280D252-G254 PolarHBondContact O-N 2.8Å; D252-L255 PolarHBondContact O-N 3Å; D252-K256 PolarHBondContact O-N 3.46Å; D252-T277 PolarHBondContact OD1-N 3.2Å; D252-T277 WeakPolarHBondContact OD2-CB 3.49Å; D252-T277 PolarHBondContact OD2-OG1 2.82Å; D252-Q279 HydrophobicContact CB-CB 4.43Å; D252-G280 VanDerWaalsContact CG-N 3.28Å; D252-G280 VanDerWaalsContact OD1-CA 3.29Å; D252-G280 WeakPolarHBondContact OD1-CA 3.39Å; D252-G280 PolarHBondContact OD1-N 3.41Å; D252-G280 VanDerWaalsContact OD1-N 3.11Å
253D97.5Very high95.5Very high92 Ų9234.6 Ų34.649%0.49219%0.191SC..Hα-helixtrans-65-37.3176.2-78-20.6000112.1D226 T251 L255 K256 Y257D226-D253 HydrophobicContact CB-CB 4.44Å; T251-D253 PolarHBondContact O-N 3.15Å; T251-D253 PolarHBondContact OG1-N 2.86Å; D253-L255 VanDerWaalsContact C-N 3.32Å; D253-L255 PolarHBondContact O-N 3.29Å; D253-K256 VanDerWaalsContact O-CB 3.32Å; D253-K256 WeakPolarHBondContact O-CB 3.23Å; D253-K256 PolarHBondContact O-N 3.18Å; D253-Y257 WeakPolarHBondContact O-CD2 3.41Å; D253-Y257 WeakPolarHBondContact O-CE2 3.22Å; D253-Y257 PolarHBondContact O-N 2.82Å
254G96.7Very high95.4Very high0 Ų035 Ų350%019%0.194CC..Hα-helixtrans-62.8-41.6174.800000111.7D226 T251 D252 Y257 V258D226-G254 WeakPolarHBondContact OD1-CA 3.34Å; D226-G254 PolarHBondContact OD1-N 2.94Å; D226-G254 VanDerWaalsContact OD1-N 3.13Å; T251-G254 PolarHBondContact O-N 3.12Å; T251-G254 VanDerWaalsContact O-N 3.1Å; D252-G254 PolarHBondContact O-N 2.8Å; G254-Y257 PolarHBondContact O-N 3.46Å; G254-V258 PolarHBondContact O-N 3.37Å
255L97.8Very high95.5Very high1 Ų135 Ų351%0.00519%0.194CC..Hα-helixtrans-71.7-28.7177.1-65.5-169000113.2D252 D253 Y257 V258 G259 L270 L276 I281 V284D252-L255 PolarHBondContact O-N 3Å; D253-L255 VanDerWaalsContact C-N 3.32Å; D253-L255 PolarHBondContact O-N 3.29Å; L255-Y257 VanDerWaalsContact C-N 3.32Å; L255-Y257 PolarHBondContact O-N 3.2Å; L255-V258 PolarHBondContact O-N 3.14Å; L255-G259 PolarHBondContact O-N 3.43Å; L255-L270 HydrophobicContact CD1-CD1 3.81Å; L255-L270 HydrophobicContact CD2-CD1 3.99Å; L255-L270 HydrophobicContact CD2-CD2 4.03Å; L255-L276 HydrophobicContact CD1-CD1 3.99Å; L255-L276 HydrophobicContact CD1-CD2 3.79Å; L255-L276 HydrophobicContact CD1-CG 4.43Å; L255-L276 HydrophobicContact CG-CD2 4.01Å; L255-I281 HydrophobicContact CD1-CD1 4.05Å; L255-V284 HydrophobicContact CB-CG2 4.16Å; L255-V284 HydrophobicContact CD1-CG2 4.3Å; L255-V284 HydrophobicContact CD2-CG2 4.36Å
256K98.3Very high95.6Very high72 Ų7236.1 Ų36.131%0.31320%0.196SC..Hα-helixtrans-54-49.6171.6-174.6-179.8171.2-1800111.6D252 D253 V258 G259 E260 Y283D252-K256 PolarHBondContact O-N 3.46Å; D253-K256 VanDerWaalsContact O-CB 3.32Å; D253-K256 WeakPolarHBondContact O-CB 3.23Å; D253-K256 PolarHBondContact O-N 3.18Å; K256-V258 VanDerWaalsContact C-N 3.32Å; K256-V258 PolarHBondContact O-N 3.25Å; K256-G259 PolarHBondContact O-N 2.66Å; K256-E260 WeakPolarHBondContact CE-OE1 3.23Å; K256-E260 HydrophobicContact CG-CG 4.49Å; K256-E260 WeakPolarHBondContact O-CB 3.41Å; K256-E260 WeakPolarHBondContact O-CG 3.49Å; K256-E260 PolarHBondContact O-N 3.15Å; K256-Y283 HydrophobicContact CB-CD2 3.57Å; K256-Y283 HydrophobicContact CB-CE2 3.82Å; K256-Y283 HydrophobicContact CB-CG 3.96Å; K256-Y283 HydrophobicContact CD-CE1 4.47Å; K256-Y283 HydrophobicContact CD-CE2 4.3Å; K256-Y283 HydrophobicContact CG-CD1 4.19Å; K256-Y283 HydrophobicContact CG-CD2 4.09Å; K256-Y283 HydrophobicContact CG-CE1 4.25Å; K256-Y283 HydrophobicContact CG-CE2 4.13Å; K256-Y283 HydrophobicContact CG-CG 4.13Å
257Y97.4Very high95.8Very high63 Ų6337.9 Ų37.925%0.24721%0.207CC..Hα-helixtrans-65.6-36179.4-62.4-63.8000113.1A230 A233 D253 G254 L255 E260 S261A230-Y257 HydrophobicContact CB-CD1 4.18Å; A230-Y257 HydrophobicContact CB-CD2 3.24Å; A230-Y257 HydrophobicContact CB-CE1 4.45Å; A230-Y257 HydrophobicContact CB-CE2 3.55Å; A230-Y257 HydrophobicContact CB-CG 3.57Å; A233-Y257 WeakPolarHBondContact CB-O 3.41Å; D253-Y257 WeakPolarHBondContact O-CD2 3.41Å; D253-Y257 WeakPolarHBondContact O-CE2 3.22Å; D253-Y257 PolarHBondContact O-N 2.82Å; G254-Y257 PolarHBondContact O-N 3.46Å; L255-Y257 VanDerWaalsContact C-N 3.32Å; L255-Y257 PolarHBondContact O-N 3.2Å; Y257-E260 PolarHBondContact O-N 3.14Å; Y257-S261 WeakPolarHBondContact O-CB 3.39Å; Y257-S261 PolarHBondContact O-N 3.32Å; Y257-S261 VanDerWaalsContact O-N 3.07Å; Y257-S261 PolarHBondContact O-OG 3.19Å
258V97.7Very high96.1Very high1 Ų137.9 Ų37.91%0.00621%0.207CC..Hα-helixtrans-62.6-49.4174.5175.90000110.1A233 L242 G254 L255 K256 E260 S261 C262 L265A233-V258 HydrophobicContact CB-CG2 4.49Å; L242-V258 HydrophobicContact CD2-CG1 4.31Å; L242-V258 HydrophobicContact CD2-CG2 3.88Å; G254-V258 PolarHBondContact O-N 3.37Å; L255-V258 PolarHBondContact O-N 3.14Å; K256-V258 VanDerWaalsContact C-N 3.32Å; K256-V258 PolarHBondContact O-N 3.25Å; V258-E260 VanDerWaalsContact C-N 3.34Å; V258-E260 PolarHBondContact O-N 2.87Å; V258-S261 PolarHBondContact O-N 2.97Å; V258-C262 HydrophobicContact CG1-CB 4.12Å; V258-C262 WeakPolarHBondContact O-CA 3.35Å; V258-C262 VanDerWaalsContact O-CB 3.25Å; V258-C262 WeakPolarHBondContact O-CB 3.42Å; V258-C262 PolarHBondContact O-N 3.15Å; V258-L265 HydrophobicContact CG1-CD2 3.78Å
259G96.7Very high96.5Very high8 Ų835 Ų358%0.08219%0.189CC..Hα-helixtrans-59.3-41.7176.200000113L255 K256 S261 Y283 G287L255-G259 PolarHBondContact O-N 3.43Å; K256-G259 PolarHBondContact O-N 2.66Å; G259-S261 PolarHBondContact O-N 3.31Å; G259-Y283 WeakPolarHBondContact CA-O 3.3Å; G259-G287 WeakPolarHBondContact O-CA 3.28Å
260E96.4Very high96.7Very high125 Ų12533.7 Ų33.758%0.58418%0.175SC*.Hα-helixtrans-71.3-27.8-179-73.7175.4173.600114K256 Y257 V258K256-E260 WeakPolarHBondContact CE-OE1 3.23Å; K256-E260 HydrophobicContact CG-CG 4.49Å; K256-E260 WeakPolarHBondContact O-CB 3.41Å; K256-E260 WeakPolarHBondContact O-CG 3.49Å; K256-E260 PolarHBondContact O-N 3.15Å; Y257-E260 PolarHBondContact O-N 3.14Å; V258-E260 VanDerWaalsContact C-N 3.34Å; V258-E260 PolarHBondContact O-N 2.87Å
261S95.7Very high96.5Very high33 Ų3336.2 Ų36.223%0.23119%0.187CC..Hα-helixtrans-121.9-22.4-167.3-50.90000115.6A233 Y257 V258 G259A233-S261 WeakPolarHBondContact O-CB 3.48Å; Y257-S261 WeakPolarHBondContact O-CB 3.39Å; Y257-S261 PolarHBondContact O-N 3.32Å; Y257-S261 VanDerWaalsContact O-N 3.07Å; Y257-S261 PolarHBondContact O-OG 3.19Å; V258-S261 PolarHBondContact O-N 2.97Å; G259-S261 PolarHBondContact O-N 3.31Å
262C96.1Very high96.2Very high0 Ų035.5 Ų35.50%018%0.184CC..  trans-105.160.3-173.7-59.10000111.9V258 D264 L265 C288V258-C262 HydrophobicContact CG1-CB 4.12Å; V258-C262 WeakPolarHBondContact O-CA 3.35Å; V258-C262 VanDerWaalsContact O-CB 3.25Å; V258-C262 WeakPolarHBondContact O-CB 3.42Å; V258-C262 PolarHBondContact O-N 3.15Å; C262-D264 PolarHBondContact O-N 3.38Å; C262-L265 HydrophobicContact CB-CB 4.2Å; C262-L265 VanDerWaalsContact O-CB 3.24Å; C262-L265 WeakPolarHBondContact O-CB 3.08Å; C262-L265 PolarHBondContact O-N 3.15Å; C262-L265 VanDerWaalsContact O-N 3.12Å; C262-C288 PolarHBondContact O-SG 3.35Å
263S95.3Very high95.8Very high70 Ų7034.4 Ų34.449%0.4918%0.178SC..THydrogen-bonded Turntrans-65.3-19.6-176.960.80000114.8
264D96.3Very high95.2Very high42 Ų4232 Ų3223%0.22517%0.169CC..THydrogen-bonded Turntrans-93.47.1177.8-82.3-24.3000113.6L239 C262 R266 R290L239-D264 CarbonylContact O-C 3.58Å; C262-D264 PolarHBondContact O-N 3.38Å; D264-R266 PolarHBondContact O-N 3.32Å; D264-R290 WeakPolarHBondContact OD1-CD 3.28Å; D264-R290 IonicContact OD1-CZ 3.77Å; D264-R290 IonicContact OD1-NE 2.72Å; D264-R290 IonicContact OD1-NH1 2.97Å; D264-R290 PolarHBondContact OD1-NH1 3.22Å
265L97.9Very high94.9Very high0 Ų036 Ų360%019%0.188CC..  trans-64.3128.5179.5-165.773.4000110.7L239 L242 V258 C262 L268 C288 R290 L291L239-L265 HydrophobicContact CD2-CD1 4.38Å; L239-L265 HydrophobicContact CG-CD1 4.27Å; L239-L265 PolarHBondContact O-N 2.77Å; L242-L265 HydrophobicContact CB-CD1 3.91Å; V258-L265 HydrophobicContact CG1-CD2 3.78Å; C262-L265 HydrophobicContact CB-CB 4.2Å; C262-L265 VanDerWaalsContact O-CB 3.24Å; C262-L265 WeakPolarHBondContact O-CB 3.08Å; C262-L265 PolarHBondContact O-N 3.15Å; C262-L265 VanDerWaalsContact O-N 3.12Å; L265-L268 HydrophobicContact CD2-CB 4.08Å; L265-L268 HydrophobicContact CD2-CD1 4.32Å; L265-L268 HydrophobicContact CD2-CD2 4.32Å; L265-L268 HydrophobicContact CD2-CG 4.48Å; L265-C288 HydrophobicContact CB-CB 4.25Å; L265-R290 CarbonylContact O-C 3.33Å; L265-L291 HydrophobicContact CD2-CD1 4.29Å; L265-L291 HydrophobicContact CG-CD1 4.3Å; L265-L291 WeakPolarHBondContact O-CA 3.14Å; L265-L291 PolarHBondContact O-N 3.18Å
266R97.2Very high94.6Very high81 Ų8136 Ų3631%0.30619%0.188SC..  trans-114.8-36.7-179.1-64.5178.5-179.3-133.3-0.4112.6R240 D264 R290 E292 Y293R240-R266 WeakPolarHBondContact O-CA 3.24Å; R240-R266 PolarHBondContact O-N 3.33Å; D264-R266 PolarHBondContact O-N 3.32Å; R266-R290 WeakPolarHBondContact CA-O 3.28Å; R266-E292 HydrophobicContact CB-CB 4.44Å; R266-E292 HydrophobicContact CB-CG 4.38Å; R266-E292 WeakPolarHBondContact CD-OE1 3.49Å; R266-E292 IonicContact CZ-OE1 3.36Å; R266-E292 IonicContact NE-OE1 2.66Å; R266-E292 IonicContact NH1-OE1 2.82Å; R266-E292 PolarHBondContact NH1-OE1 3.45Å; R266-E292 IonicContact NH1-OE2 3.42Å; R266-E292 WeakPolarHBondContact O-CA 3.25Å; R266-E292 PolarHBondContact O-N 3.25Å; R266-Y293 PolarHBondContact O-N 3.38Å
267V97.5Very high94.4Very high37 Ų3734.6 Ų34.622%0.22419%0.185CC..EExtended strand (participates in β ladder)trans-123.2117.8-176.1-179.80000108.4R240 T241 L242 Y293R240-V267 PolarHBondContact O-N 2.85Å; T241-V267 WeakPolarHBondContact CA-O 3.44Å; T241-V267 HydrophobicContact CG2-CB 3.88Å; T241-V267 HydrophobicContact CG2-CG1 3.9Å; L242-V267 PolarHBondContact N-O 3.12Å; V267-Y293 HydrophobicContact CG1-CD1 3.59Å; V267-Y293 HydrophobicContact CG1-CE1 4.32Å; V267-Y293 HydrophobicContact CG1-CG 4.04Å
268L97.1Very high94.2Very high0 Ų032.5 Ų32.50%018%0.178CC..EExtended strand (participates in β ladder)trans-125.1120.9173.4-177.858000109.7L242 L265 L270 V284 L291 Y293 L294 C295L242-L268 HydrophobicContact CB-CD1 4.12Å; L242-L268 HydrophobicContact CD2-CD1 4.14Å; L242-L268 HydrophobicContact CG-CD1 4.2Å; L242-L268 WeakPolarHBondContact O-CA 3.47Å; L265-L268 HydrophobicContact CD2-CB 4.08Å; L265-L268 HydrophobicContact CD2-CD1 4.32Å; L265-L268 HydrophobicContact CD2-CD2 4.32Å; L265-L268 HydrophobicContact CD2-CG 4.48Å; L268-L270 HydrophobicContact CD1-CD1 4.19Å; L268-L270 HydrophobicContact CD1-CD2 4.03Å; L268-L270 HydrophobicContact CD1-CG 3.92Å; L268-L270 HydrophobicContact CD2-CD1 3.76Å; L268-L270 HydrophobicContact CD2-CG 4.36Å; L268-L270 HydrophobicContact CG-CD1 3.87Å; L268-L270 HydrophobicContact CG-CG 3.92Å; L268-V284 HydrophobicContact CD2-CB 4.37Å; L268-V284 HydrophobicContact CD2-CG1 3.71Å; L268-V284 HydrophobicContact CD2-CG2 3.82Å; L268-L291 HydrophobicContact CB-CD1 3.78Å; L268-Y293 PolarHBondContact N-O 3.39Å; L268-L294 HydrophobicContact CB-CD1 4.04Å; L268-L294 HydrophobicContact CD2-CD1 4.04Å; L268-L294 HydrophobicContact CG-CD1 4.07Å; L268-L294 WeakPolarHBondContact O-CA 3.44Å; L268-C295 PolarHBondContact O-N 2.77Å
269N95.8Very high94.2Very high6 Ų636.2 Ų36.23%0.03220%0.195CC..EExtended strand (participates in β ladder)trans-123.8113.5175.9-167.4-44.3000110.4L242 I243 C244 K245 Q271 Y293 C295L242-N269 PolarHBondContact O-N 2.79Å; I243-N269 HydrophobicContact CB-CB 4.44Å; I243-N269 HydrophobicContact CG1-CB 4.27Å; I243-N269 HydrophobicContact CG2-CB 4.08Å; C244-N269 PolarHBondContact N-O 3.22Å; K245-N269 VanDerWaalsContact CE-CG 3.43Å; K245-N269 VanDerWaalsContact CE-ND2 3.26Å; K245-N269 WeakPolarHBondContact CE-ND2 3.48Å; K245-N269 WeakPolarHBondContact CE-OD1 3.32Å; K245-N269 WeakPolarHBondContact CG-OD1 2.97Å; N269-Q271 VanDerWaalsContact OD1-CB 3.31Å; N269-Q271 WeakPolarHBondContact OD1-CB 3.22Å; N269-Q271 PolarHBondContact OD1-N 2.88Å; N269-Q271 VanDerWaalsContact OD1-N 3.13Å; N269-Y293 HydrophobicContact CB-CE1 4.07Å; N269-Y293 PolarHBondContact ND2-OH 2.91Å; N269-C295 HydrophobicContact CB-CB 4.25Å; N269-C295 WeakPolarHBondContact ND2-CB 3.31Å
270L94.5Very high94.2Very high0 Ų035.8 Ų35.80%019%0.191CC..  trans-118.123.5-176.2-62.7165.6000111.4C244 L255 L268 S272 C273 L276 I281 C295 L296 C299C244-L270 HydrophobicContact CB-CD2 4.14Å; L255-L270 HydrophobicContact CD1-CD1 3.81Å; L255-L270 HydrophobicContact CD2-CD1 3.99Å; L255-L270 HydrophobicContact CD2-CD2 4.03Å; L268-L270 HydrophobicContact CD1-CD1 4.19Å; L268-L270 HydrophobicContact CD1-CD2 4.03Å; L268-L270 HydrophobicContact CD1-CG 3.92Å; L268-L270 HydrophobicContact CD2-CD1 3.76Å; L268-L270 HydrophobicContact CD2-CG 4.36Å; L268-L270 HydrophobicContact CG-CD1 3.87Å; L268-L270 HydrophobicContact CG-CG 3.92Å; L270-S272 PolarHBondContact O-N 3.27Å; L270-C273 HydrophobicContact CB-CB 4.49Å; L270-C273 VanDerWaalsContact O-CB 3.25Å; L270-C273 WeakPolarHBondContact O-CB 3.39Å; L270-C273 PolarHBondContact O-N 2.76Å; L270-C273 VanDerWaalsContact O-N 3.13Å; L270-C273 PolarHBondContact O-SG 2.87Å; L270-L276 HydrophobicContact CB-CD1 3.96Å; L270-L276 HydrophobicContact CD1-CD1 3.87Å; L270-L276 HydrophobicContact CD2-CD1 4.09Å; L270-L276 HydrophobicContact CG-CD1 4.19Å; L270-I281 HydrophobicContact CD1-CD1 4.17Å; L270-C295 PolarHBondContact N-O 3.43Å; L270-L296 HydrophobicContact CB-CD2 4.09Å; L270-L296 HydrophobicContact CD1-CD2 3.93Å; L270-C299 PolarHBondContact O-SG 3.28Å
271Q90.9Very high94.1Very high56 Ų5629.9 Ų29.926%0.26216%0.164SC..THydrogen-bonded Turntrans-48134.3-179.7-179179.7-2.800111.7K245 G246 N269 C273 S297K245-Q271 CarbonylContact C-O 3.57Å; K245-Q271 VanDerWaalsContact CA-O 3.25Å; K245-Q271 WeakPolarHBondContact CA-O 3.46Å; K245-Q271 HydrophobicContact CB-CB 4.33Å; K245-Q271 HydrophobicContact CD-CB 4.25Å; K245-Q271 HydrophobicContact CG-CB 4.01Å; G246-Q271 PolarHBondContact N-O 3.18Å; N269-Q271 VanDerWaalsContact OD1-CB 3.31Å; N269-Q271 WeakPolarHBondContact OD1-CB 3.22Å; N269-Q271 PolarHBondContact OD1-N 2.88Å; N269-Q271 VanDerWaalsContact OD1-N 3.13Å; Q271-C273 VanDerWaalsContact C-N 3.29Å; Q271-C273 PolarHBondContact O-N 3.38Å; Q271-S297 CarbonylContact C-O 3.44Å; Q271-S297 VanDerWaalsContact CA-O 3.3Å; Q271-S297 WeakPolarHBondContact CA-O 3.39Å
272S88.9Confident94.2Very high34 Ų3431.6 Ų31.624%0.23817%0.168CC..THydrogen-bonded Turntrans60.927.6178.8-51.10000115L270 S274 S297L270-S272 PolarHBondContact O-N 3.27Å; S272-S274 PolarHBondContact O-N 2.91Å; S272-S297 PolarHBondContact N-O 3.08Å
273C90.3Very high94.2Very high1 Ų135 Ų351%0.00718%0.181CC..  trans-92.880.4172.3-65.70000111.4C244 L270 Q271 H275 L276C244-C273 PolarHBondContact O-SG 2.81Å; L270-C273 HydrophobicContact CB-CB 4.49Å; L270-C273 VanDerWaalsContact O-CB 3.25Å; L270-C273 WeakPolarHBondContact O-CB 3.39Å; L270-C273 PolarHBondContact O-N 2.76Å; L270-C273 VanDerWaalsContact O-N 3.13Å; L270-C273 PolarHBondContact O-SG 2.87Å; Q271-C273 VanDerWaalsContact C-N 3.29Å; Q271-C273 PolarHBondContact O-N 3.38Å; C273-H275 VanDerWaalsContact C-N 3.25Å; C273-H275 PolarHBondContact O-N 2.89Å; C273-H275 VanDerWaalsContact O-N 3.12Å; C273-L276 HydrophobicContact CB-CD1 3.42Å; C273-L276 VanDerWaalsContact CB-CD1 3.42Å; C273-L276 HydrophobicContact CB-CG 3.83Å; C273-L276 PolarHBondContact O-N 3.37Å
274S85.2Confident94.3Very high42 Ų4231.8 Ų31.829%0.29416%0.158SC..THydrogen-bonded Turntrans-66.9-12.9-168.958.50000116.8S272 R301S272-S274 PolarHBondContact O-N 2.91Å; S274-R301 WeakPolarHBondContact O-CD 3.5Å
275H90Very high94.3Very high85 Ų8529.9 Ų29.939%0.39415%0.149SC..THydrogen-bonded Turntrans-92.6-9-179.3-73.3-73.7000113.7T248 L250 C273T248-H275 PolarHBondContact O-CD2 2.94Å; L250-H275 WeakPolarHBondContact O-CB 3.23Å; C273-H275 VanDerWaalsContact C-N 3.25Å; C273-H275 PolarHBondContact O-N 2.89Å; C273-H275 VanDerWaalsContact O-N 3.12Å
276L92.4Very high94.2Very high1 Ų133.3 Ų33.31%0.00518%0.177CC..  trans-76.6141.4178.1-60.8178.5000111.3T251 L255 L270 C273 R301T251-L276 WeakPolarHBondContact O-CD2 3.45Å; L255-L276 HydrophobicContact CD1-CD1 3.99Å; L255-L276 HydrophobicContact CD1-CD2 3.79Å; L255-L276 HydrophobicContact CD1-CG 4.43Å; L255-L276 HydrophobicContact CG-CD2 4.01Å; L270-L276 HydrophobicContact CB-CD1 3.96Å; L270-L276 HydrophobicContact CD1-CD1 3.87Å; L270-L276 HydrophobicContact CD2-CD1 4.09Å; L270-L276 HydrophobicContact CG-CD1 4.19Å; C273-L276 HydrophobicContact CB-CD1 3.42Å; C273-L276 VanDerWaalsContact CB-CD1 3.42Å; C273-L276 HydrophobicContact CB-CG 3.83Å; C273-L276 PolarHBondContact O-N 3.37Å; L276-R301 WeakPolarHBondContact O-CB 3.41Å
277T93.3Very high94.1Very high42 Ų4230.2 Ų30.226%0.25817%0.17SC..  trans-121.9179.7175.481.90000110.9D252 Q279 G280 R301 I302D252-T277 PolarHBondContact OD1-N 3.2Å; D252-T277 WeakPolarHBondContact OD2-CB 3.49Å; D252-T277 PolarHBondContact OD2-OG1 2.82Å; T277-Q279 PolarHBondContact O-N 3.5Å; T277-Q279 VanDerWaalsContact O-N 3.08Å; T277-Q279 PolarHBondContact OG1-N 2.93Å; T277-G280 PolarHBondContact O-N 3.24Å; T277-G280 VanDerWaalsContact O-N 3.15Å; T277-R301 HydrophobicContact CG2-CB 4.25Å; T277-I302 VanDerWaalsContact C-CD1 3.4Å; T277-I302 WeakPolarHBondContact O-CD1 3.48Å
278D93.3Very high94Very high18 Ų1828.4 Ų28.410%0.09616%0.159CC..Hα-helixtrans-54.2-27.9174.6-63.7-46.5000113.5I281 Q282 T303 R305 S306D278-I281 PolarHBondContact O-N 3.01Å; D278-Q282 VanDerWaalsContact O-CG 3.25Å; D278-Q282 WeakPolarHBondContact O-CG 3.48Å; D278-Q282 PolarHBondContact O-N 2.82Å; D278-T303 PolarHBondContact OD1-N 3.32Å; D278-T303 WeakPolarHBondContact OD2-CB 3.36Å; D278-T303 PolarHBondContact OD2-OG1 2.9Å; D278-R305 HydrophobicContact CB-CB 4.01Å; D278-S306 WeakPolarHBondContact CA-OG 3.44Å; D278-S306 WeakPolarHBondContact OD1-CB 3.42Å; D278-S306 PolarHBondContact OD1-N 3.48Å; D278-S306 PolarHBondContact OD1-OG 2.93Å
279Q97.1Very high93.9Very high79 Ų7933.3 Ų33.337%0.36918%0.182SC..Hα-helixtrans-64.8-41.6-179.7-170.460.164.100111.9D252 T277 I281 Q282 Y283D252-Q279 HydrophobicContact CB-CB 4.43Å; T277-Q279 PolarHBondContact O-N 3.5Å; T277-Q279 VanDerWaalsContact O-N 3.08Å; T277-Q279 PolarHBondContact OG1-N 2.93Å; Q279-I281 VanDerWaalsContact C-N 3.34Å; Q279-I281 PolarHBondContact O-N 2.77Å; Q279-Q282 WeakPolarHBondContact O-CB 3.18Å; Q279-Q282 PolarHBondContact O-N 2.99Å; Q279-Y283 HydrophobicContact CG-CE2 3.8Å; Q279-Y283 VanDerWaalsContact O-CD2 3.24Å; Q279-Y283 WeakPolarHBondContact O-CD2 3.16Å; Q279-Y283 PolarHBondContact O-N 2.98Å
280G96.3Very high93.9Very high0 Ų038.7 Ų38.70%020%0.202CC..Hα-helixtrans-63.7-40.717700000112.1D252 T277 Y283 V284D252-G280 VanDerWaalsContact CG-N 3.28Å; D252-G280 VanDerWaalsContact OD1-CA 3.29Å; D252-G280 WeakPolarHBondContact OD1-CA 3.39Å; D252-G280 PolarHBondContact OD1-N 3.41Å; D252-G280 VanDerWaalsContact OD1-N 3.11Å; T277-G280 PolarHBondContact O-N 3.24Å; T277-G280 VanDerWaalsContact O-N 3.15Å; G280-Y283 PolarHBondContact O-N 2.85Å; G280-V284 PolarHBondContact O-N 2.87Å
281I95.5Very high93.9Very high1 Ų138.7 Ų38.71%0.00520%0.202CC..Hα-helixtrans-69.8-35.5177.8-54-50.8000111.7L255 L270 D278 Q279 Y283 V284 A285 L296 I302 S306 I310L255-I281 HydrophobicContact CD1-CD1 4.05Å; L270-I281 HydrophobicContact CD1-CD1 4.17Å; D278-I281 PolarHBondContact O-N 3.01Å; Q279-I281 VanDerWaalsContact C-N 3.34Å; Q279-I281 PolarHBondContact O-N 2.77Å; I281-Y283 VanDerWaalsContact C-N 3.29Å; I281-Y283 PolarHBondContact O-N 3.32Å; I281-V284 PolarHBondContact O-N 3.06Å; I281-A285 WeakPolarHBondContact O-CB 3.48Å; I281-A285 PolarHBondContact O-N 2.9Å; I281-L296 HydrophobicContact CD1-CD1 3.96Å; I281-L296 HydrophobicContact CD1-CD2 3.54Å; I281-L296 HydrophobicContact CD1-CG 4.42Å; I281-L296 HydrophobicContact CG1-CD1 4.05Å; I281-L296 HydrophobicContact CG1-CD2 4.44Å; I281-L296 HydrophobicContact CG2-CD1 4.43Å; I281-I302 HydrophobicContact CD1-CD1 4.4Å; I281-I302 HydrophobicContact CG1-CD1 3.67Å; I281-S306 WeakPolarHBondContact CB-OG 3.43Å; I281-I310 HydrophobicContact CG2-CD1 3.64Å; I281-I310 HydrophobicContact CG2-CG1 3.7Å
282Q96.5Very high94Very high68 Ų6839.2 Ų39.232%0.31820%0.204SC..Hα-helixtrans-60-39.1172.2-75.917018.900112.2D278 Q279 A285 A286 A309D278-Q282 VanDerWaalsContact O-CG 3.25Å; D278-Q282 WeakPolarHBondContact O-CG 3.48Å; D278-Q282 PolarHBondContact O-N 2.82Å; Q279-Q282 WeakPolarHBondContact O-CB 3.18Å; Q279-Q282 PolarHBondContact O-N 2.99Å; Q282-A285 PolarHBondContact O-N 3.01Å; Q282-A286 VanDerWaalsContact O-CB 3.27Å; Q282-A286 WeakPolarHBondContact O-CB 3.23Å; Q282-A286 PolarHBondContact O-N 3Å; Q282-A309 HydrophobicContact CB-CB 4.44Å; Q282-A309 HydrophobicContact CG-CB 3.69Å
283Y97.7Very high94.3Very high72 Ų7239.5 Ų39.528%0.28220%0.2SC..Hα-helixtrans-63.9-42.8175.1-64.4-47.9000112.3K256 G259 Q279 G280 I281 A286 G287K256-Y283 HydrophobicContact CB-CD2 3.57Å; K256-Y283 HydrophobicContact CB-CE2 3.82Å; K256-Y283 HydrophobicContact CB-CG 3.96Å; K256-Y283 HydrophobicContact CD-CE1 4.47Å; K256-Y283 HydrophobicContact CD-CE2 4.3Å; K256-Y283 HydrophobicContact CG-CD1 4.19Å; K256-Y283 HydrophobicContact CG-CD2 4.09Å; K256-Y283 HydrophobicContact CG-CE1 4.25Å; K256-Y283 HydrophobicContact CG-CE2 4.13Å; K256-Y283 HydrophobicContact CG-CG 4.13Å; G259-Y283 WeakPolarHBondContact CA-O 3.3Å; Q279-Y283 HydrophobicContact CG-CE2 3.8Å; Q279-Y283 VanDerWaalsContact O-CD2 3.24Å; Q279-Y283 WeakPolarHBondContact O-CD2 3.16Å; Q279-Y283 PolarHBondContact O-N 2.98Å; G280-Y283 PolarHBondContact O-N 2.85Å; I281-Y283 VanDerWaalsContact C-N 3.29Å; I281-Y283 PolarHBondContact O-N 3.32Å; Y283-A286 PolarHBondContact O-N 2.71Å; Y283-G287 PolarHBondContact O-N 3.42Å
284V96.8Very high94.4Very high2 Ų239.5 Ų39.51%0.01220%0.2CC..Hα-helixtrans-61.5-48.9175175.40000110.4L255 L268 G280 I281 A286 G287 C288 L291L255-V284 HydrophobicContact CB-CG2 4.16Å; L255-V284 HydrophobicContact CD1-CG2 4.3Å; L255-V284 HydrophobicContact CD2-CG2 4.36Å; L268-V284 HydrophobicContact CD2-CB 4.37Å; L268-V284 HydrophobicContact CD2-CG1 3.71Å; L268-V284 HydrophobicContact CD2-CG2 3.82Å; G280-V284 PolarHBondContact O-N 2.87Å; I281-V284 PolarHBondContact O-N 3.06Å; V284-A286 PolarHBondContact O-N 3.24Å; V284-G287 PolarHBondContact O-N 2.85Å; V284-C288 HydrophobicContact CG1-CB 3.93Å; V284-C288 VanDerWaalsContact O-CB 3.29Å; V284-C288 WeakPolarHBondContact O-CB 3.48Å; V284-C288 PolarHBondContact O-N 2.98Å; V284-L291 HydrophobicContact CG1-CD2 4.16Å
285A95.4Very high94.7Very high3 Ų337.5 Ų37.53%0.02519%0.186CC..Hα-helixtrans-61.6-33.1-179.800000112.9I281 Q282 G287 A309 G313I281-A285 WeakPolarHBondContact O-CB 3.48Å; I281-A285 PolarHBondContact O-N 2.9Å; Q282-A285 PolarHBondContact O-N 3.01Å; A285-G287 VanDerWaalsContact C-N 3.31Å; A285-G287 PolarHBondContact O-N 3.31Å; A285-A309 HydrophobicContact CB-CB 3.98Å; A285-A309 WeakPolarHBondContact CB-O 3.43Å; A285-G313 VanDerWaalsContact O-CA 3.29Å; A285-G313 WeakPolarHBondContact O-CA 3.41Å
286A96.4Very high94.7Very high72 Ų7233.7 Ų33.760%0.59517%0.169SC*.Hα-helixtrans-71.4-20.2179.900000114.3Q282 Y283 V284 H289Q282-A286 VanDerWaalsContact O-CB 3.27Å; Q282-A286 WeakPolarHBondContact O-CB 3.23Å; Q282-A286 PolarHBondContact O-N 3Å; Y283-A286 PolarHBondContact O-N 2.71Å; V284-A286 PolarHBondContact O-N 3.24Å; A286-H289 PolarHBondContact O-CE1 2.99Å; A286-H289 PolarHBondContact O-NE2 3.36Å
287G94.9Very high94.3Very high15 Ų1533.9 Ų33.916%0.15517%0.171CC..Hα-helixtrans-131.8-24-175.500000116.6G259 Y283 V284 A285 H289G259-G287 WeakPolarHBondContact O-CA 3.28Å; Y283-G287 PolarHBondContact O-N 3.42Å; V284-G287 PolarHBondContact O-N 2.85Å; A285-G287 VanDerWaalsContact C-N 3.31Å; A285-G287 PolarHBondContact O-N 3.31Å; G287-H289 PolarHBondContact O-N 3.18Å
288C96.1Very high93.7Very high0 Ų036 Ų360%018%0.178CC..  trans-93.862179.6-59.50000111.4C262 L265 V284 R290 L291 C314C262-C288 PolarHBondContact O-SG 3.35Å; L265-C288 HydrophobicContact CB-CB 4.25Å; V284-C288 HydrophobicContact CG1-CB 3.93Å; V284-C288 VanDerWaalsContact O-CB 3.29Å; V284-C288 WeakPolarHBondContact O-CB 3.48Å; V284-C288 PolarHBondContact O-N 2.98Å; C288-R290 PolarHBondContact O-N 2.85Å; C288-R290 VanDerWaalsContact O-N 3.11Å; C288-L291 WeakPolarHBondContact O-CB 3.3Å; C288-L291 PolarHBondContact O-N 2.66Å; C288-C314 PolarHBondContact O-SG 3.35Å
289H94.6Very high93.3Very high103 Ų10335.1 Ų35.148%0.47717%0.174SC..THydrogen-bonded Turntrans-67.2-12.8-176.2-53.3-54.7000114.9A286 G287 G313A286-H289 PolarHBondContact O-CE1 2.99Å; A286-H289 PolarHBondContact O-NE2 3.36Å; G287-H289 PolarHBondContact O-N 3.18Å; H289-G313 WeakPolarHBondContact CA-O 3.34Å; H289-G313 PolarHBondContact ND1-O 3.08Å
290R95.3Very high92.5Very high118 Ų11833.7 Ų33.745%0.44517%0.172SC..THydrogen-bonded Turntrans-95.412.1177.9-66.9-178.5171.8-174.7-2.2113.4D264 L265 R266 C288 E292D264-R290 WeakPolarHBondContact OD1-CD 3.28Å; D264-R290 IonicContact OD1-CZ 3.77Å; D264-R290 IonicContact OD1-NE 2.72Å; D264-R290 IonicContact OD1-NH1 2.97Å; D264-R290 PolarHBondContact OD1-NH1 3.22Å; L265-R290 CarbonylContact O-C 3.33Å; R266-R290 WeakPolarHBondContact CA-O 3.28Å; C288-R290 PolarHBondContact O-N 2.85Å; C288-R290 VanDerWaalsContact O-N 3.11Å; R290-E292 PolarHBondContact O-N 3.33Å
291L94.9Very high92Very high0 Ų039.5 Ų39.50%019%0.194CC..  trans-65.7120.6-179.5-161.872000110.3L265 L268 V284 C288 L294 C314 L316 L317L265-L291 HydrophobicContact CD2-CD1 4.29Å; L265-L291 HydrophobicContact CG-CD1 4.3Å; L265-L291 WeakPolarHBondContact O-CA 3.14Å; L265-L291 PolarHBondContact O-N 3.18Å; L268-L291 HydrophobicContact CB-CD1 3.78Å; V284-L291 HydrophobicContact CG1-CD2 4.16Å; C288-L291 WeakPolarHBondContact O-CB 3.3Å; C288-L291 PolarHBondContact O-N 2.66Å; L291-L294 HydrophobicContact CD2-CB 3.97Å; L291-L294 HydrophobicContact CD2-CD1 4.3Å; L291-L294 HydrophobicContact CD2-CD2 4.13Å; L291-L294 HydrophobicContact CD2-CG 4.36Å; L291-C314 HydrophobicContact CB-CB 4.17Å; L291-L316 CarbonylContact O-C 3.49Å; L291-L316 VanDerWaalsContact O-C 3.31Å; L291-L317 HydrophobicContact CG-CD1 4.49Å; L291-L317 WeakPolarHBondContact O-CA 3.44Å; L291-L317 PolarHBondContact O-N 2.77Å
292E94.1Very high91.6Very high68 Ų6839.4 Ų39.432%0.31819%0.194SC..  trans-106.5-32.7-178.7-68.3166.1-164.600111R266 R290 N318 E319R266-E292 HydrophobicContact CB-CB 4.44Å; R266-E292 HydrophobicContact CB-CG 4.38Å; R266-E292 WeakPolarHBondContact CD-OE1 3.49Å; R266-E292 IonicContact CZ-OE1 3.36Å; R266-E292 IonicContact NE-OE1 2.66Å; R266-E292 IonicContact NH1-OE1 2.82Å; R266-E292 PolarHBondContact NH1-OE1 3.45Å; R266-E292 IonicContact NH1-OE2 3.42Å; R266-E292 WeakPolarHBondContact O-CA 3.25Å; R266-E292 PolarHBondContact O-N 3.25Å; R290-E292 PolarHBondContact O-N 3.33Å; E292-N318 PolarHBondContact O-N 2.79Å; E292-E319 PolarHBondContact O-N 3.08Å
293Y93.4Very high91.2Very high39 Ų3938.4 Ų38.415%0.15319%0.193CC..EExtended strand (participates in β ladder)trans-129.6129.8179.7175.4-78.7000111R266 V267 L268 N269 C295 E319 L321R266-Y293 PolarHBondContact O-N 3.38Å; V267-Y293 HydrophobicContact CG1-CD1 3.59Å; V267-Y293 HydrophobicContact CG1-CE1 4.32Å; V267-Y293 HydrophobicContact CG1-CG 4.04Å; L268-Y293 PolarHBondContact N-O 3.39Å; N269-Y293 HydrophobicContact CB-CE1 4.07Å; N269-Y293 PolarHBondContact ND2-OH 2.91Å; Y293-C295 HydrophobicContact CE1-CB 3.63Å; Y293-C295 WeakPolarHBondContact OH-CB 3.43Å; Y293-E319 WeakPolarHBondContact CA-O 3.49Å; Y293-E319 HydrophobicContact CD2-CB 3.74Å; Y293-E319 VanDerWaalsContact CD2-CD 3.41Å; Y293-E319 HydrophobicContact CD2-CG 3.54Å; Y293-E319 HydrophobicContact CE2-CB 4.43Å; Y293-E319 VanDerWaalsContact CE2-CD 3.4Å; Y293-E319 HydrophobicContact CE2-CG 3.72Å; Y293-E319 VanDerWaalsContact CE2-OE1 3.31Å; Y293-E319 WeakPolarHBondContact CE2-OE1 3.23Å; Y293-L321 HydrophobicContact CE2-CD1 3.89Å
294L93.2Very high90.7Very high1 Ų136.2 Ų36.21%0.00519%0.186CC..EExtended strand (participates in β ladder)trans-137.5121.4173.9-179.459.3000112.4L268 L291 L296 I310 L317 E319 S320 L321L268-L294 HydrophobicContact CB-CD1 4.04Å; L268-L294 HydrophobicContact CD2-CD1 4.04Å; L268-L294 HydrophobicContact CG-CD1 4.07Å; L268-L294 WeakPolarHBondContact O-CA 3.44Å; L291-L294 HydrophobicContact CD2-CB 3.97Å; L291-L294 HydrophobicContact CD2-CD1 4.3Å; L291-L294 HydrophobicContact CD2-CD2 4.13Å; L291-L294 HydrophobicContact CD2-CG 4.36Å; L294-L296 HydrophobicContact CD1-CD2 3.93Å; L294-L296 HydrophobicContact CD1-CG 4.08Å; L294-L296 HydrophobicContact CD2-CD1 4.07Å; L294-L296 HydrophobicContact CD2-CG 4.3Å; L294-L296 HydrophobicContact CG-CD1 4.33Å; L294-L296 HydrophobicContact CG-CD2 4.41Å; L294-L296 HydrophobicContact CG-CG 4.01Å; L294-I310 HydrophobicContact CD2-CD1 3.3Å; L294-I310 HydrophobicContact CD2-CG1 3.84Å; L294-L317 HydrophobicContact CB-CD1 3.9Å; L294-E319 PolarHBondContact N-O 2.71Å; L294-S320 VanDerWaalsContact O-CA 3.27Å; L294-S320 WeakPolarHBondContact O-CA 3.4Å; L294-S320 PolarHBondContact O-OG 3.44Å; L294-L321 PolarHBondContact O-N 3.26Å
295C91.7Very high90.4Very high0 Ų044 Ų440%022%0.215CC..EExtended strand (participates in β ladder)trans-116.4118.2173.7175.40000111.2L268 N269 L270 Y293 L321L268-C295 PolarHBondContact O-N 2.77Å; N269-C295 HydrophobicContact CB-CB 4.25Å; N269-C295 WeakPolarHBondContact ND2-CB 3.31Å; L270-C295 PolarHBondContact N-O 3.43Å; Y293-C295 HydrophobicContact CE1-CB 3.63Å; Y293-C295 WeakPolarHBondContact OH-CB 3.43Å; C295-L321 WeakPolarHBondContact CA-O 3.14Å; C295-L321 HydrophobicContact CB-CB 3.98Å; C295-L321 HydrophobicContact CB-CD2 4.49Å
296L89.7Confident90.2Very high5 Ų543.8 Ų43.83%0.02621%0.213CC..  trans-119.412.2178.1-60.3179.8000112.6L270 I281 L294 M298 C299 I302 I310 L321 C323L270-L296 HydrophobicContact CB-CD2 4.09Å; L270-L296 HydrophobicContact CD1-CD2 3.93Å; I281-L296 HydrophobicContact CD1-CD1 3.96Å; I281-L296 HydrophobicContact CD1-CD2 3.54Å; I281-L296 HydrophobicContact CD1-CG 4.42Å; I281-L296 HydrophobicContact CG1-CD1 4.05Å; I281-L296 HydrophobicContact CG1-CD2 4.44Å; I281-L296 HydrophobicContact CG2-CD1 4.43Å; L294-L296 HydrophobicContact CD1-CD2 3.93Å; L294-L296 HydrophobicContact CD1-CG 4.08Å; L294-L296 HydrophobicContact CD2-CD1 4.07Å; L294-L296 HydrophobicContact CD2-CG 4.3Å; L294-L296 HydrophobicContact CG-CD1 4.33Å; L294-L296 HydrophobicContact CG-CD2 4.41Å; L294-L296 HydrophobicContact CG-CG 4.01Å; L296-M298 PolarHBondContact O-N 2.75Å; L296-C299 WeakPolarHBondContact O-CB 3.39Å; L296-C299 PolarHBondContact O-N 3.2Å; L296-C299 VanDerWaalsContact O-N 3.14Å; L296-C299 PolarHBondContact O-SG 3.18Å; L296-I302 HydrophobicContact CD1-CG2 4.1Å; L296-I310 HydrophobicContact CD1-CD1 4.4Å; L296-L321 PolarHBondContact N-O 3.36Å; L296-C323 VanDerWaalsContact O-CB 3.26Å; L296-C323 WeakPolarHBondContact O-CB 3.36Å
297S84.7Confident89.8Confident6 Ų640.5 Ų40.54%0.04219%0.186CC..THydrogen-bonded Turntrans-39.3136170.5-76.70000113Q271 S272 C299 D348Q271-S297 CarbonylContact C-O 3.44Å; Q271-S297 VanDerWaalsContact CA-O 3.3Å; Q271-S297 WeakPolarHBondContact CA-O 3.39Å; S272-S297 PolarHBondContact N-O 3.08Å; S297-C299 PolarHBondContact O-N 3.38Å; S297-C299 VanDerWaalsContact O-N 3.12Å; S297-D348 VanDerWaalsContact CA-OD2 3.32Å; S297-D348 WeakPolarHBondContact CA-OD2 3.32Å; S297-D348 WeakPolarHBondContact CB-OD2 3.49Å; S297-D348 PolarHBondContact OG-OD2 2.78Å
298M81.1Confident89.6Confident86 Ų8643.5 Ų43.542%0.42420%0.196SC..THydrogen-bonded Turntrans58.720.4178.2-58.6-78151.200115.3L296 D348L296-M298 PolarHBondContact O-N 2.75Å; M298-D348 HydrophobicContact CE-CB 4.29Å; M298-D348 VanDerWaalsContact CE-CG 3.49Å; M298-D348 WeakPolarHBondContact CE-OD1 3.2Å
299C84.5Confident89.5Confident0 Ų044.4 Ų44.40%020%0.203CC..  trans-92.5101.9170.5-60.70000110.6L270 L296 S297 R301 I302 C323L270-C299 PolarHBondContact O-SG 3.28Å; L296-C299 WeakPolarHBondContact O-CB 3.39Å; L296-C299 PolarHBondContact O-N 3.2Å; L296-C299 VanDerWaalsContact O-N 3.14Å; L296-C299 PolarHBondContact O-SG 3.18Å; S297-C299 PolarHBondContact O-N 3.38Å; S297-C299 VanDerWaalsContact O-N 3.12Å; C299-R301 VanDerWaalsContact C-N 3.28Å; C299-R301 PolarHBondContact O-N 3.05Å; C299-I302 HydrophobicContact CB-CG1 3.65Å; C299-C323 PolarHBondContact O-SG 3.05Å
300S79.5Confident89.4Confident48 Ų4839.6 Ų39.634%0.33618%0.181SC..THydrogen-bonded Turntrans-78.34.5-166.858.40000116.6L325S300-L325 WeakPolarHBondContact O-CD1 3.15Å
301R85.7Confident89.1Confident122 Ų12234 Ų3446%0.4616%0.16SC..THydrogen-bonded Turntrans-126.912.9-177.8-58176.6174.9-164.6-5.2113.5S274 L276 T277 C299S274-R301 WeakPolarHBondContact O-CD 3.5Å; L276-R301 WeakPolarHBondContact O-CB 3.41Å; T277-R301 HydrophobicContact CG2-CB 4.25Å; C299-R301 VanDerWaalsContact C-N 3.28Å; C299-R301 PolarHBondContact O-N 3.05Å
302I87.1Confident88.8Confident0 Ų040.2 Ų40.20%019%0.191CC..  trans-92.2134177.2-62.9-53.9000108.9T277 I281 L296 C299 C323 L325T277-I302 VanDerWaalsContact C-CD1 3.4Å; T277-I302 WeakPolarHBondContact O-CD1 3.48Å; I281-I302 HydrophobicContact CD1-CD1 4.4Å; I281-I302 HydrophobicContact CG1-CD1 3.67Å; L296-I302 HydrophobicContact CD1-CG2 4.1Å; C299-I302 HydrophobicContact CB-CG1 3.65Å; I302-C323 PolarHBondContact O-SG 2.88Å; I302-L325 WeakPolarHBondContact O-CB 3.07Å
303T87.6Confident88.5Confident47 Ų4737.7 Ų37.729%0.28818%0.182SC..  trans-130.2-177.4-179.179.20000111.3D278 R305 S306 L326D278-T303 PolarHBondContact OD1-N 3.32Å; D278-T303 WeakPolarHBondContact OD2-CB 3.36Å; D278-T303 PolarHBondContact OD2-OG1 2.9Å; T303-R305 PolarHBondContact O-N 3.49Å; T303-R305 PolarHBondContact OG1-N 2.85Å; T303-S306 WeakPolarHBondContact O-CB 3.3Å; T303-S306 PolarHBondContact O-N 2.81Å; T303-L326 VanDerWaalsContact O-CD2 3.28Å; T303-L326 WeakPolarHBondContact O-CD2 3.49Å
304D87.6Confident88.3Confident26 Ų2635.8 Ų35.814%0.13918%0.175CC..Hα-helixtrans-56.3-21.2-177.7-67-24.7000113.3S306 L307 Q308 L326 T327 G330D304-S306 VanDerWaalsContact C-N 3.26Å; D304-S306 PolarHBondContact O-N 3.38Å; D304-L307 PolarHBondContact O-N 2.86Å; D304-Q308 WeakPolarHBondContact O-CG 3.47Å; D304-Q308 PolarHBondContact O-N 3.34Å; D304-L326 HydrophobicContact CB-CD2 4.49Å; D304-L326 VanDerWaalsContact N-CD2 3.29Å; D304-L326 WeakPolarHBondContact OD1-CA 3.48Å; D304-L326 VanDerWaalsContact OD1-CD2 3.3Å; D304-L326 WeakPolarHBondContact OD1-CD2 3.34Å; D304-T327 PolarHBondContact OD1-N 3.49Å; D304-T327 PolarHBondContact OD2-OG1 3.37Å; D304-G330 WeakPolarHBondContact OD1-CA 3.46Å; D304-G330 PolarHBondContact OD1-N 2.91Å
305R90.8Very high87.8Confident164 Ų16441.4 Ų41.462%0.61920%0.201SC*.Hα-helixtrans-60.6-35.4173.8-67.8-179.1174.3-173.3-0.7112.4D278 T303 Q308 A309D278-R305 HydrophobicContact CB-CB 4.01Å; T303-R305 PolarHBondContact O-N 3.49Å; T303-R305 PolarHBondContact OG1-N 2.85Å; R305-Q308 PolarHBondContact O-N 3.05Å; R305-A309 WeakPolarHBondContact O-CB 3.42Å; R305-A309 PolarHBondContact O-N 3.35Å
306S90.9Very high87.5Confident0 Ų045.6 Ų45.60%022%0.223CC..Hα-helixtrans-63.8-47.7173.8-74.90000111.5D278 I281 T303 D304 Q308 A309 I310D278-S306 WeakPolarHBondContact CA-OG 3.44Å; D278-S306 WeakPolarHBondContact OD1-CB 3.42Å; D278-S306 PolarHBondContact OD1-N 3.48Å; D278-S306 PolarHBondContact OD1-OG 2.93Å; I281-S306 WeakPolarHBondContact CB-OG 3.43Å; T303-S306 WeakPolarHBondContact O-CB 3.3Å; T303-S306 PolarHBondContact O-N 2.81Å; D304-S306 VanDerWaalsContact C-N 3.26Å; D304-S306 PolarHBondContact O-N 3.38Å; S306-Q308 VanDerWaalsContact C-N 3.31Å; S306-Q308 PolarHBondContact O-N 3.11Å; S306-A309 PolarHBondContact O-N 2.84Å; S306-I310 WeakPolarHBondContact O-CD1 3.4Å; S306-I310 VanDerWaalsContact O-CG1 3.23Å; S306-I310 WeakPolarHBondContact O-CG1 3.5Å; S306-I310 PolarHBondContact O-N 2.99Å
307L89Confident87.3Confident2 Ų245.3 Ų45.31%0.0122%0.222CC..Hα-helixtrans-63.4-38.5177.9-67.8-170.6000111.9D304 I310 S311 I322 L326 G330 F331 L334D304-L307 PolarHBondContact O-N 2.86Å; L307-I310 HydrophobicContact CD2-CD1 4.21Å; L307-I310 PolarHBondContact O-N 2.81Å; L307-S311 VanDerWaalsContact O-CB 3.23Å; L307-S311 WeakPolarHBondContact O-CB 3.41Å; L307-S311 PolarHBondContact O-N 2.93Å; L307-S311 PolarHBondContact O-OG 2.97Å; L307-I322 HydrophobicContact CD2-CD1 4.01Å; L307-L326 HydrophobicContact CD1-CB 4.47Å; L307-L326 HydrophobicContact CD1-CD1 4.04Å; L307-L326 HydrophobicContact CD1-CD2 3.86Å; L307-L326 HydrophobicContact CD1-CG 4.36Å; L307-L326 HydrophobicContact CD2-CD1 4.5Å; L307-L326 HydrophobicContact CG-CD1 4.15Å; L307-L326 HydrophobicContact CG-CD2 3.85Å; L307-G330 VanDerWaalsContact CD1-C 3.46Å; L307-F331 HydrophobicContact CD1-CD1 4.19Å; L307-F331 HydrophobicContact CD1-CE1 4.13Å; L307-F331 HydrophobicContact CD1-CG 4.5Å; L307-F331 HydrophobicContact CD1-CZ 4.39Å; L307-L334 HydrophobicContact CD2-CD2 4.36Å
308Q91Very high87.2Confident79 Ų7947 Ų4737%0.36923%0.23SC..Hα-helixtrans-59.2-48.2172.5-72170.92600111.4D304 R305 S306 S311 M312 A333D304-Q308 WeakPolarHBondContact O-CG 3.47Å; D304-Q308 PolarHBondContact O-N 3.34Å; R305-Q308 PolarHBondContact O-N 3.05Å; S306-Q308 VanDerWaalsContact C-N 3.31Å; S306-Q308 PolarHBondContact O-N 3.11Å; Q308-S311 PolarHBondContact O-N 3.41Å; Q308-S311 PolarHBondContact O-OG 2.53Å; Q308-M312 HydrophobicContact CB-CE 4.31Å; Q308-M312 WeakPolarHBondContact O-CG 3.31Å; Q308-M312 PolarHBondContact O-N 3.01Å; Q308-A333 HydrophobicContact CB-CB 4.46Å; Q308-A333 HydrophobicContact CG-CB 3.67Å
309A92.9Very high87.3Confident19 Ų1945.7 Ų45.716%0.15722%0.223CC..Hα-helixtrans-61.3-49.1178.600000112Q282 A285 R305 S306 S311 M312 G313Q282-A309 HydrophobicContact CB-CB 4.44Å; Q282-A309 HydrophobicContact CG-CB 3.69Å; A285-A309 HydrophobicContact CB-CB 3.98Å; A285-A309 WeakPolarHBondContact CB-O 3.43Å; R305-A309 WeakPolarHBondContact O-CB 3.42Å; R305-A309 PolarHBondContact O-N 3.35Å; S306-A309 PolarHBondContact O-N 2.84Å; A309-S311 VanDerWaalsContact C-N 3.32Å; A309-S311 PolarHBondContact O-N 3.37Å; A309-M312 PolarHBondContact O-N 3.17Å; A309-G313 PolarHBondContact O-N 2.97Å
310I91.8Very high87Confident2 Ų245.7 Ų45.71%0.0122%0.223CC..Hα-helixtrans-58.3-45.6177.5-66.2155.9000110.5I281 L294 L296 S306 L307 M312 G313 C314 L317 L334I281-I310 HydrophobicContact CG2-CD1 3.64Å; I281-I310 HydrophobicContact CG2-CG1 3.7Å; L294-I310 HydrophobicContact CD2-CD1 3.3Å; L294-I310 HydrophobicContact CD2-CG1 3.84Å; L296-I310 HydrophobicContact CD1-CD1 4.4Å; S306-I310 WeakPolarHBondContact O-CD1 3.4Å; S306-I310 VanDerWaalsContact O-CG1 3.23Å; S306-I310 WeakPolarHBondContact O-CG1 3.5Å; S306-I310 PolarHBondContact O-N 2.99Å; L307-I310 HydrophobicContact CD2-CD1 4.21Å; L307-I310 PolarHBondContact O-N 2.81Å; I310-M312 PolarHBondContact O-N 3.21Å; I310-G313 PolarHBondContact O-N 3.33Å; I310-C314 HydrophobicContact CG2-CB 4.07Å; I310-C314 WeakPolarHBondContact O-CA 3.43Å; I310-C314 WeakPolarHBondContact O-CB 3.48Å; I310-C314 PolarHBondContact O-N 3.33Å; I310-L317 HydrophobicContact CG2-CD2 3.71Å; I310-L334 HydrophobicContact CG2-CD1 4.22Å
311S89.3Confident86.6Confident1 Ų144.7 Ų44.71%0.00721%0.214CC..Hα-helixtrans-59.6-34.5-179.880.10000112.6L307 Q308 A309 A333 N337L307-S311 VanDerWaalsContact O-CB 3.23Å; L307-S311 WeakPolarHBondContact O-CB 3.41Å; L307-S311 PolarHBondContact O-N 2.93Å; L307-S311 PolarHBondContact O-OG 2.97Å; Q308-S311 PolarHBondContact O-N 3.41Å; Q308-S311 PolarHBondContact O-OG 2.53Å; A309-S311 VanDerWaalsContact C-N 3.32Å; A309-S311 PolarHBondContact O-N 3.37Å; S311-A333 WeakPolarHBondContact CB-O 3.39Å; S311-A333 PolarHBondContact OG-O 2.88Å; S311-N337 WeakPolarHBondContact O-CB 3.29Å; S311-N337 PolarHBondContact OG-ND2 3.45Å; S311-N337 VanDerWaalsContact OG-ND2 3.08Å
312M89.4Confident85.9Confident130 Ų13039.1 Ų39.164%0.6419%0.193SC*.Hα-helixtrans-82.7-33.9179.5-64.6178.6-153.400112.5Q308 A309 I310Q308-M312 HydrophobicContact CB-CE 4.31Å; Q308-M312 WeakPolarHBondContact O-CG 3.31Å; Q308-M312 PolarHBondContact O-N 3.01Å; A309-M312 PolarHBondContact O-N 3.17Å; I310-M312 PolarHBondContact O-N 3.21Å
313G88.6Confident84.8Confident14 Ų1439.1 Ų39.114%0.14419%0.193CC..Hα-helixtrans-99.5-27-170.600000115.9A285 H289 A309 I310A285-G313 VanDerWaalsContact O-CA 3.29Å; A285-G313 WeakPolarHBondContact O-CA 3.41Å; H289-G313 WeakPolarHBondContact CA-O 3.34Å; H289-G313 PolarHBondContact ND1-O 3.08Å; A309-G313 PolarHBondContact O-N 2.97Å; I310-G313 PolarHBondContact O-N 3.33Å
314C88.6Confident83.7Confident0 Ų038 Ų380%019%0.187CC..  trans-126.968.7-169.8-59.40000110.9C288 L291 I310 L316 L317C288-C314 PolarHBondContact O-SG 3.35Å; L291-C314 HydrophobicContact CB-CB 4.17Å; I310-C314 HydrophobicContact CG2-CB 4.07Å; I310-C314 WeakPolarHBondContact O-CA 3.43Å; I310-C314 WeakPolarHBondContact O-CB 3.48Å; I310-C314 PolarHBondContact O-N 3.33Å; C314-L316 PolarHBondContact O-N 3.04Å; C314-L317 WeakPolarHBondContact O-CB 3.4Å; C314-L317 PolarHBondContact O-N 3.05Å
315Q83.3Confident82.8Confident119 Ų11939.8 Ų39.856%0.55620%0.196SC*.THydrogen-bonded Turntrans-72.5-13.7-176.6-65.8174.4-5.700113.9L317Q315-L317 VanDerWaalsContact C-N 3.27Å
316L85.2Confident82.2Confident87 Ų8732 Ų3246%0.45517%0.167SC..THydrogen-bonded Turntrans-87.98.9176.8-61.7179.4000113.2L291 C314 N318L291-L316 CarbonylContact O-C 3.49Å; L291-L316 VanDerWaalsContact O-C 3.31Å; C314-L316 PolarHBondContact O-N 3.04Å; L316-N318 PolarHBondContact O-N 3.13Å
317L85Confident81.9Confident0 Ų034 Ų340%018%0.18CC..  trans-65.1121.2-179.3-167.673.5000109.9L291 L294 I310 C314 Q315 L334 L341L291-L317 HydrophobicContact CG-CD1 4.49Å; L291-L317 WeakPolarHBondContact O-CA 3.44Å; L291-L317 PolarHBondContact O-N 2.77Å; L294-L317 HydrophobicContact CB-CD1 3.9Å; I310-L317 HydrophobicContact CG2-CD2 3.71Å; C314-L317 WeakPolarHBondContact O-CB 3.4Å; C314-L317 PolarHBondContact O-N 3.05Å; Q315-L317 VanDerWaalsContact C-N 3.27Å; L317-L334 HydrophobicContact CD2-CD1 4.11Å; L317-L341 HydrophobicContact CB-CD2 4.4Å; L317-L341 HydrophobicContact CD2-CD2 4.15Å; L317-L341 HydrophobicContact CG-CD2 4.05Å; L317-L341 WeakPolarHBondContact O-CD2 3.28Å
318N83.2Confident81.7Confident41 Ų4135 Ų3522%0.21919%0.185CC..  trans-110.2-35.5-177.2-167.3-20.5000111E292 L316 D340 E342 R343E292-N318 PolarHBondContact O-N 2.79Å; L316-N318 PolarHBondContact O-N 3.13Å; N318-D340 PolarHBondContact OD1-O 2.82Å; N318-E342 PolarHBondContact ND2-OE1 3.34Å; N318-E342 PolarHBondContact O-N 2.88Å; N318-E342 WeakPolarHBondContact OD1-CA 3.45Å; N318-E342 WeakPolarHBondContact OD1-CB 3.33Å; N318-E342 WeakPolarHBondContact OD1-CG 3.48Å; N318-E342 PolarHBondContact OD1-N 3.11Å; N318-R343 PolarHBondContact O-N 3.3Å
319E82.1Confident81.5Confident58 Ų5834.8 Ų34.827%0.27119%0.192SC..EExtended strand (participates in β ladder)trans-129.2130179.2-176.3169.4172.300112.4E292 Y293 L294 L321 R343E292-E319 PolarHBondContact O-N 3.08Å; Y293-E319 WeakPolarHBondContact CA-O 3.49Å; Y293-E319 HydrophobicContact CD2-CB 3.74Å; Y293-E319 VanDerWaalsContact CD2-CD 3.41Å; Y293-E319 HydrophobicContact CD2-CG 3.54Å; Y293-E319 HydrophobicContact CE2-CB 4.43Å; Y293-E319 VanDerWaalsContact CE2-CD 3.4Å; Y293-E319 HydrophobicContact CE2-CG 3.72Å; Y293-E319 VanDerWaalsContact CE2-OE1 3.31Å; Y293-E319 WeakPolarHBondContact CE2-OE1 3.23Å; L294-E319 PolarHBondContact N-O 2.71Å; E319-L321 HydrophobicContact CG-CD1 3.86Å; E319-R343 VanDerWaalsContact CA-O 3.3Å; E319-R343 WeakPolarHBondContact CA-O 3.41Å; E319-R343 HydrophobicContact CB-CB 3.95Å; E319-R343 HydrophobicContact CG-CB 3.66Å
320S78.2Confident81.2Confident1 Ų133.9 Ų33.91%0.00719%0.185CC..EExtended strand (participates in β ladder)trans-138.7128.5174.3-158.50000113.4L294 I322 R343 D345L294-S320 VanDerWaalsContact O-CA 3.27Å; L294-S320 WeakPolarHBondContact O-CA 3.4Å; L294-S320 PolarHBondContact O-OG 3.44Å; S320-I322 WeakPolarHBondContact OG-CD1 3.48Å; S320-I322 WeakPolarHBondContact OG-CG1 3.12Å; S320-R343 PolarHBondContact N-O 2.97Å; S320-R343 VanDerWaalsContact N-O 3.16Å; S320-D345 PolarHBondContact O-N 2.72Å; S320-D345 VanDerWaalsContact O-N 3.14Å
321L71Confident81Confident27 Ų2733.8 Ų33.814%0.14118%0.184CC..EExtended strand (participates in β ladder)trans-111.9119.4174.2-74.965.5000108Y293 L294 C295 L296 E319 D345Y293-L321 HydrophobicContact CE2-CD1 3.89Å; L294-L321 PolarHBondContact O-N 3.26Å; C295-L321 WeakPolarHBondContact CA-O 3.14Å; C295-L321 HydrophobicContact CB-CB 3.98Å; C295-L321 HydrophobicContact CB-CD2 4.49Å; L296-L321 PolarHBondContact N-O 3.36Å; E319-L321 HydrophobicContact CG-CD1 3.86Å; L321-D345 HydrophobicContact CB-CB 4.47Å; L321-D345 HydrophobicContact CD1-CB 4.43Å; L321-D345 HydrophobicContact CG-CB 3.83Å
322I70.8Confident81Confident4 Ų438 Ų382%0.02120%0.203CC..  trans-124.9151.3-151.7-70.3179000112.3L307 S320 L326 F331 L334 M344 D345 L346L307-I322 HydrophobicContact CD2-CD1 4.01Å; S320-I322 WeakPolarHBondContact OG-CD1 3.48Å; S320-I322 WeakPolarHBondContact OG-CG1 3.12Å; I322-L326 HydrophobicContact CB-CD1 4.36Å; I322-L326 HydrophobicContact CG2-CB 4.37Å; I322-L326 HydrophobicContact CG2-CD1 2.93Å; I322-L326 HydrophobicContact CG2-CG 4.19Å; I322-F331 HydrophobicContact CD1-CE1 3.73Å; I322-F331 HydrophobicContact CD1-CZ 4.5Å; I322-F331 HydrophobicContact CG2-CE1 4.13Å; I322-F331 HydrophobicContact CG2-CZ 3.87Å; I322-L334 HydrophobicContact CD1-CD2 4.12Å; I322-M344 HydrophobicContact CD1-CE 3.98Å; I322-D345 PolarHBondContact N-O 2.95Å; I322-L346 HydrophobicContact CB-CD2 4.48Å
323C65.1Low80.9Confident0 Ų032.5 Ų32.50%018%0.179CC..  trans-89.2171.3-166.9108.80000116.5L296 C299 I302 L325 C349L296-C323 VanDerWaalsContact O-CB 3.26Å; L296-C323 WeakPolarHBondContact O-CB 3.36Å; C299-C323 PolarHBondContact O-SG 3.05Å; I302-C323 PolarHBondContact O-SG 2.88Å; C323-L325 VanDerWaalsContact C-N 3.32Å; C323-L325 PolarHBondContact O-N 3.41Å; C323-L325 VanDerWaalsContact O-N 3.14Å; C323-L325 PolarHBondContact SG-N 3.14Å; C323-C349 PolarHBondContact O-SG 2.88Å
324S64Low80.8Confident23 Ų2331.8 Ų31.816%0.16117%0.172CC..THydrogen-bonded Turntrans-7112.9-176.277.80000119.2D348 C349 T368S324-D348 WeakPolarHBondContact CA-O 3.41Å; S324-D348 WeakPolarHBondContact CB-O 3.37Å; S324-D348 PolarHBondContact N-O 3.13Å; S324-C349 VanDerWaalsContact CA-O 3.31Å; S324-C349 WeakPolarHBondContact CA-O 3.48Å; S324-T368 WeakPolarHBondContact O-CG2 3.5Å
325L68.4Low80.8Confident64 Ų6431.9 Ų31.934%0.33517%0.173SC..THydrogen-bonded Turntrans-129.519.6-178.3-78.3-177.1000112.6S300 I302 C323 A366S300-L325 WeakPolarHBondContact O-CD1 3.15Å; I302-L325 WeakPolarHBondContact O-CB 3.07Å; C323-L325 VanDerWaalsContact C-N 3.32Å; C323-L325 PolarHBondContact O-N 3.41Å; C323-L325 VanDerWaalsContact O-N 3.14Å; C323-L325 PolarHBondContact SG-N 3.14Å; L325-A366 HydrophobicContact CD2-CB 4.43Å
326L79Confident81Confident2 Ų232.5 Ų32.51%0.0117%0.173CC..  trans-102.7146.6-174.4-67166.4000110.9T303 D304 L307 I322 F331T303-L326 VanDerWaalsContact O-CD2 3.28Å; T303-L326 WeakPolarHBondContact O-CD2 3.49Å; D304-L326 HydrophobicContact CB-CD2 4.49Å; D304-L326 VanDerWaalsContact N-CD2 3.29Å; D304-L326 WeakPolarHBondContact OD1-CA 3.48Å; D304-L326 VanDerWaalsContact OD1-CD2 3.3Å; D304-L326 WeakPolarHBondContact OD1-CD2 3.34Å; L307-L326 HydrophobicContact CD1-CB 4.47Å; L307-L326 HydrophobicContact CD1-CD1 4.04Å; L307-L326 HydrophobicContact CD1-CD2 3.86Å; L307-L326 HydrophobicContact CD1-CG 4.36Å; L307-L326 HydrophobicContact CD2-CD1 4.5Å; L307-L326 HydrophobicContact CG-CD1 4.15Å; L307-L326 HydrophobicContact CG-CD2 3.85Å; I322-L326 HydrophobicContact CB-CD1 4.36Å; I322-L326 HydrophobicContact CG2-CB 4.37Å; I322-L326 HydrophobicContact CG2-CD1 2.93Å; I322-L326 HydrophobicContact CG2-CG 4.19Å; L326-F331 HydrophobicContact CB-CE2 4.08Å; L326-F331 HydrophobicContact CB-CZ 4.26Å
327T83.1Confident81.1Confident42 Ų4230.8 Ų30.826%0.25816%0.164SC..  trans-123.7170.6-175.681.20000110.8D304 S329 G330 F331D304-T327 PolarHBondContact OD1-N 3.49Å; D304-T327 PolarHBondContact OD2-OG1 3.37Å; T327-S329 PolarHBondContact O-N 2.8Å; T327-S329 WeakPolarHBondContact OG1-CB 3.46Å; T327-S329 PolarHBondContact OG1-N 2.7Å; T327-G330 PolarHBondContact O-N 3.48Å; T327-F331 WeakPolarHBondContact O-CD2 3.39Å; T327-F331 PolarHBondContact O-N 3.29Å
328D85.5Confident81.1Confident23 Ų2330.8 Ų30.812%0.12316%0.164CC..Hα-helixtrans-48.1-30.2172.4-60-38.5000113F331 H332 T371 Q373 T374D328-F331 PolarHBondContact O-N 3.47Å; D328-H332 WeakPolarHBondContact O-CB 3.31Å; D328-H332 PolarHBondContact O-N 2.81Å; D328-T371 PolarHBondContact OD1-N 3.44Å; D328-T371 PolarHBondContact OD2-OG1 3.22Å; D328-Q373 HydrophobicContact CB-CB 4.18Å; D328-Q373 HydrophobicContact CB-CG 4.17Å; D328-T374 WeakPolarHBondContact CA-OG1 3.27Å; D328-T374 VanDerWaalsContact OD1-CB 3.31Å; D328-T374 WeakPolarHBondContact OD1-CB 3.36Å; D328-T374 PolarHBondContact OD1-N 2.95Å; D328-T374 VanDerWaalsContact OD1-N 3.1Å; D328-T374 PolarHBondContact OD1-OG1 2.77Å
329S86.9Confident81.2Confident74 Ų7433.6 Ų33.652%0.51718%0.176SC..Hα-helixtrans-67.7-38.8177.9-61.90000113.1T327 H332 A333T327-S329 PolarHBondContact O-N 2.8Å; T327-S329 WeakPolarHBondContact OG1-CB 3.46Å; T327-S329 PolarHBondContact OG1-N 2.7Å; S329-H332 PolarHBondContact O-N 3.04Å; S329-A333 PolarHBondContact O-N 3.25Å
330G86.6Confident81.3Confident0 Ų035 Ų350%019%0.186CC..Hα-helixtrans-67.1-43.8175.900000111.5D304 L307 T327 H332 A333 L334D304-G330 WeakPolarHBondContact OD1-CA 3.46Å; D304-G330 PolarHBondContact OD1-N 2.91Å; L307-G330 VanDerWaalsContact CD1-C 3.46Å; T327-G330 PolarHBondContact O-N 3.48Å; G330-H332 VanDerWaalsContact C-N 3.34Å; G330-H332 PolarHBondContact O-N 3.29Å; G330-A333 PolarHBondContact O-N 2.86Å; G330-L334 PolarHBondContact O-N 2.78Å
331F86.9Confident81.6Confident0 Ų035 Ų350%019%0.185CC..Hα-helixtrans-68-32.8175.9-64.9-70.8000112.7L307 I322 L326 T327 D328 A333 L334 A335 M344 L346 I370 T374L307-F331 HydrophobicContact CD1-CD1 4.19Å; L307-F331 HydrophobicContact CD1-CE1 4.13Å; L307-F331 HydrophobicContact CD1-CG 4.5Å; L307-F331 HydrophobicContact CD1-CZ 4.39Å; I322-F331 HydrophobicContact CD1-CE1 3.73Å; I322-F331 HydrophobicContact CD1-CZ 4.5Å; I322-F331 HydrophobicContact CG2-CE1 4.13Å; I322-F331 HydrophobicContact CG2-CZ 3.87Å; L326-F331 HydrophobicContact CB-CE2 4.08Å; L326-F331 HydrophobicContact CB-CZ 4.26Å; T327-F331 WeakPolarHBondContact O-CD2 3.39Å; T327-F331 PolarHBondContact O-N 3.29Å; D328-F331 PolarHBondContact O-N 3.47Å; F331-A333 VanDerWaalsContact C-N 3.34Å; F331-A333 PolarHBondContact O-N 2.85Å; F331-L334 PolarHBondContact O-N 3.32Å; F331-A335 VanDerWaalsContact O-CB 3.27Å; F331-A335 WeakPolarHBondContact O-CB 3.34Å; F331-A335 PolarHBondContact O-N 3.44Å; F331-M344 HydrophobicContact CD1-CE 4.33Å; F331-M344 HydrophobicContact CD1-SD 4.15Å; F331-M344 HydrophobicContact CE1-CE 4.44Å; F331-M344 HydrophobicContact CE1-SD 4.2Å; F331-L346 HydrophobicContact CD1-CD2 4.3Å; F331-L346 HydrophobicContact CE1-CD1 4.46Å; F331-L346 HydrophobicContact CE1-CD2 3.3Å; F331-L346 HydrophobicContact CE2-CD2 4.49Å; F331-L346 HydrophobicContact CZ-CD1 4.47Å; F331-L346 HydrophobicContact CZ-CD2 3.43Å; F331-L346 VanDerWaalsContact CZ-CD2 3.43Å; F331-I370 HydrophobicContact CD2-CD1 4.45Å; F331-I370 HydrophobicContact CE2-CD1 3.51Å; F331-I370 HydrophobicContact CE2-CG1 3.86Å; F331-I370 HydrophobicContact CZ-CD1 3.89Å; F331-T374 HydrophobicContact CB-CG2 3.92Å; F331-T374 HydrophobicContact CD1-CG2 4.41Å; F331-T374 HydrophobicContact CD2-CG2 3.9Å; F331-T374 WeakPolarHBondContact CD2-OG1 3.44Å; F331-T374 HydrophobicContact CG-CG2 3.8Å
332H89.4Confident82.6Confident88 Ų8836.4 Ų36.441%0.40719%0.191SC..Hα-helixtrans-58.4-46.8170.5-177.656.9000111.7D328 S329 G330 K336 H377D328-H332 WeakPolarHBondContact O-CB 3.31Å; D328-H332 PolarHBondContact O-N 2.81Å; S329-H332 PolarHBondContact O-N 3.04Å; G330-H332 VanDerWaalsContact C-N 3.34Å; G330-H332 PolarHBondContact O-N 3.29Å; H332-K336 VanDerWaalsContact O-CB 3.29Å; H332-K336 WeakPolarHBondContact O-CB 3.2Å; H332-K336 PolarHBondContact O-N 2.9Å; H332-H377 AromaticContact CE1-CE1 3.98Å; H332-H377 AromaticContact CG-CE1 3.77Å; H332-H377 AromaticContact CG-ND1 3.94Å; H332-H377 AromaticContact CG-NE2 3.9Å; H332-H377 AromaticContact ND1-CE1 3.2Å; H332-H377 PolarHBondContact ND1-CE1 3.15Å; H332-H377 AromaticContact ND1-CG 3.64Å; H332-H377 AromaticContact ND1-ND1 3.11Å; H332-H377 PolarHBondContact ND1-ND1 2.95Å; H332-H377 VanDerWaalsContact ND1-ND1 3.11Å; H332-H377 AromaticContact ND1-NE2 3.78Å
333A87.9Confident83.4Confident15 Ų1539.6 Ų39.612%0.12420%0.203CC..Hα-helixtrans-63.1-42.9178.300000111.8Q308 S311 S329 G330 F331 K336 N337Q308-A333 HydrophobicContact CB-CB 4.46Å; Q308-A333 HydrophobicContact CG-CB 3.67Å; S311-A333 WeakPolarHBondContact CB-O 3.39Å; S311-A333 PolarHBondContact OG-O 2.88Å; S329-A333 PolarHBondContact O-N 3.25Å; G330-A333 PolarHBondContact O-N 2.86Å; F331-A333 VanDerWaalsContact C-N 3.34Å; F331-A333 PolarHBondContact O-N 2.85Å; A333-K336 PolarHBondContact O-N 2.82Å; A333-N337 PolarHBondContact O-ND2 3.27Å
334L87.5Confident84.5Confident0 Ų039.8 Ų39.80%020%0.204CC..Hα-helixtrans-63.3-52.4178.2-168.970000111.7L307 I310 L317 I322 G330 F331 K336 N337 C338 L341 M344L307-L334 HydrophobicContact CD2-CD2 4.36Å; I310-L334 HydrophobicContact CG2-CD1 4.22Å; L317-L334 HydrophobicContact CD2-CD1 4.11Å; I322-L334 HydrophobicContact CD1-CD2 4.12Å; G330-L334 PolarHBondContact O-N 2.78Å; F331-L334 PolarHBondContact O-N 3.32Å; L334-K336 PolarHBondContact O-N 2.81Å; L334-N337 PolarHBondContact O-N 2.8Å; L334-N337 VanDerWaalsContact O-N 3.15Å; L334-C338 HydrophobicContact CD1-CB 4.22Å; L334-C338 HydrophobicContact CG-CB 4.41Å; L334-C338 WeakPolarHBondContact O-CB 3.48Å; L334-C338 PolarHBondContact O-N 2.99Å; L334-L341 HydrophobicContact CD2-CD1 3.97Å; L334-L341 HydrophobicContact CG-CD1 3.93Å; L334-M344 HydrophobicContact CD2-CE 3.28Å
335A87.1Confident85.5Confident2 Ų240.6 Ų40.62%0.01721%0.206CC..Hα-helixtrans-62.3-27.4-179.900000113.1F331 N337 H377 L378 G381F331-A335 VanDerWaalsContact O-CB 3.27Å; F331-A335 WeakPolarHBondContact O-CB 3.34Å; F331-A335 PolarHBondContact O-N 3.44Å; A335-N337 VanDerWaalsContact C-N 3.32Å; A335-N337 PolarHBondContact O-N 3.08Å; A335-H377 HydrophobicContact CB-CB 4.36Å; A335-H377 WeakPolarHBondContact CB-O 3.33Å; A335-L378 HydrophobicContact CB-CD2 4.39Å; A335-G381 VanDerWaalsContact O-CA 3.3Å; A335-G381 WeakPolarHBondContact O-CA 3.25Å
336K88.5Confident86.1Confident132 Ų13237.5 Ų37.557%0.57419%0.19SC*.Hα-helixtrans-67.9-29.5178-176.9177.1177-178.60113.4H332 A333 L334 H339H332-K336 VanDerWaalsContact O-CB 3.29Å; H332-K336 WeakPolarHBondContact O-CB 3.2Å; H332-K336 PolarHBondContact O-N 2.9Å; A333-K336 PolarHBondContact O-N 2.82Å; L334-K336 PolarHBondContact O-N 2.81Å; K336-H339 PolarHBondContact O-CE1 3.19Å; K336-H339 PolarHBondContact O-NE2 3.14Å
337N85.9Confident85.9Confident50 Ų5040.7 Ų40.727%0.26721%0.205SC..Hα-helixtrans-123.9-19.1-171.6-57.4-50.5000114.4S311 A333 L334 A335S311-N337 WeakPolarHBondContact O-CB 3.29Å; S311-N337 PolarHBondContact OG-ND2 3.45Å; S311-N337 VanDerWaalsContact OG-ND2 3.08Å; A333-N337 PolarHBondContact O-ND2 3.27Å; L334-N337 PolarHBondContact O-N 2.8Å; L334-N337 VanDerWaalsContact O-N 3.15Å; A335-N337 VanDerWaalsContact C-N 3.32Å; A335-N337 PolarHBondContact O-N 3.08Å
338C85.8Confident85.1Confident0 Ų039.8 Ų39.80%020%0.199CC..  trans-107.276.9-178.6-62.60000110.6L334 D340 L341L334-C338 HydrophobicContact CD1-CB 4.22Å; L334-C338 HydrophobicContact CG-CB 4.41Å; L334-C338 WeakPolarHBondContact O-CB 3.48Å; L334-C338 PolarHBondContact O-N 2.99Å; C338-D340 VanDerWaalsContact C-N 3.33Å; C338-L341 HydrophobicContact CB-CD1 3.75Å; C338-L341 HydrophobicContact CB-CG 3.93Å; C338-L341 WeakPolarHBondContact O-CD1 3.29Å; C338-L341 WeakPolarHBondContact O-CG 3.38Å
339H84.6Confident83.9Confident100 Ų10038.7 Ų38.746%0.46319%0.193SC..THydrogen-bonded Turntrans-77.9-17.4-174.8-56.7-56.2000114.3K336 L341 G381 S384K336-H339 PolarHBondContact O-CE1 3.19Å; K336-H339 PolarHBondContact O-NE2 3.14Å; H339-L341 VanDerWaalsContact C-N 3.32Å; H339-G381 PolarHBondContact ND1-O 2.89Å; H339-S384 PolarHBondContact O-OG 2.66Å
340D85.6Confident82.4Confident88 Ų8836.6 Ų36.647%0.47118%0.178SC..THydrogen-bonded Turntrans-92.213.1-177.7-65.6-29.1000113.2N318 C338 E342N318-D340 PolarHBondContact OD1-O 2.82Å; C338-D340 VanDerWaalsContact C-N 3.33Å; D340-E342 PolarHBondContact O-N 3.13Å; D340-E342 VanDerWaalsContact O-N 3.16Å
341L85Confident80.9Confident0 Ų040.1 Ų40.10%020%0.196CC..  trans-63.7112.7174.7-77.7169.2000110.7L317 L334 C338 H339 M344 C382 S384 L385L317-L341 HydrophobicContact CB-CD2 4.4Å; L317-L341 HydrophobicContact CD2-CD2 4.15Å; L317-L341 HydrophobicContact CG-CD2 4.05Å; L317-L341 WeakPolarHBondContact O-CD2 3.28Å; L334-L341 HydrophobicContact CD2-CD1 3.97Å; L334-L341 HydrophobicContact CG-CD1 3.93Å; C338-L341 HydrophobicContact CB-CD1 3.75Å; C338-L341 HydrophobicContact CB-CG 3.93Å; C338-L341 WeakPolarHBondContact O-CD1 3.29Å; C338-L341 WeakPolarHBondContact O-CG 3.38Å; H339-L341 VanDerWaalsContact C-N 3.32Å; L341-M344 HydrophobicContact CD1-CE 3.96Å; L341-C382 HydrophobicContact CB-CB 4.41Å; L341-S384 CarbonylContact O-C 3.6Å; L341-L385 WeakPolarHBondContact O-CA 3.41Å; L341-L385 PolarHBondContact O-N 2.9Å
342E90.2Very high79.1Confident57 Ų5742.1 Ų42.127%0.26621%0.213SC..  trans-96-30.1171.6-60.1165.8-159.900112.3N318 D340 S384 I386 E387N318-E342 PolarHBondContact ND2-OE1 3.34Å; N318-E342 PolarHBondContact O-N 2.88Å; N318-E342 WeakPolarHBondContact OD1-CA 3.45Å; N318-E342 WeakPolarHBondContact OD1-CB 3.33Å; N318-E342 WeakPolarHBondContact OD1-CG 3.48Å; N318-E342 PolarHBondContact OD1-N 3.11Å; D340-E342 PolarHBondContact O-N 3.13Å; D340-E342 VanDerWaalsContact O-N 3.16Å; E342-S384 WeakPolarHBondContact CA-O 3.45Å; E342-I386 HydrophobicContact CB-CB 4.22Å; E342-I386 HydrophobicContact CB-CD1 3.91Å; E342-I386 HydrophobicContact CB-CG1 3.9Å; E342-I386 HydrophobicContact CG-CD1 3.76Å; E342-I386 HydrophobicContact CG-CG1 4.09Å; E342-I386 WeakPolarHBondContact O-CA 2.93Å; E342-I386 PolarHBondContact O-N 2.95Å; E342-E387 PolarHBondContact O-N 3.5Å
343R89Confident77Confident71 Ų7145.9 Ų45.927%0.26823%0.229SC..EExtended strand (participates in β ladder)trans-130.4128.9-172.8-63.3-173.7177.968.413.3111.7N318 E319 S320 E387N318-R343 PolarHBondContact O-N 3.3Å; E319-R343 VanDerWaalsContact CA-O 3.3Å; E319-R343 WeakPolarHBondContact CA-O 3.41Å; E319-R343 HydrophobicContact CB-CB 3.95Å; E319-R343 HydrophobicContact CG-CB 3.66Å; S320-R343 PolarHBondContact N-O 2.97Å; S320-R343 VanDerWaalsContact N-O 3.16Å; R343-E387 WeakPolarHBondContact CA-O 3.23Å; R343-E387 WeakPolarHBondContact CD-OE2 3.14Å; R343-E387 HydrophobicContact CG-CB 4.08Å; R343-E387 HydrophobicContact CG-CG 4.27Å; R343-E387 IonicContact NE-OE1 2.98Å; R343-E387 IonicContact NE-OE2 2.98Å; R343-E387 PolarHBondContact NE-OE2 2.8Å; R343-E387 IonicContact NH2-OE1 3.72Å
344M87.6Confident74.9Confident5 Ų547.6 Ų47.63%0.02524%0.239CC..EExtended strand (participates in β ladder)trans-142133.8175.3-178.1167.7-8500110.9I322 F331 L334 L341 L346 L378 L385 E387 L388 S389I322-M344 HydrophobicContact CD1-CE 3.98Å; F331-M344 HydrophobicContact CD1-CE 4.33Å; F331-M344 HydrophobicContact CD1-SD 4.15Å; F331-M344 HydrophobicContact CE1-CE 4.44Å; F331-M344 HydrophobicContact CE1-SD 4.2Å; L334-M344 HydrophobicContact CD2-CE 3.28Å; L341-M344 HydrophobicContact CD1-CE 3.96Å; M344-L346 HydrophobicContact CG-CD2 3.64Å; M344-L346 HydrophobicContact CG-CG 4.07Å; M344-L346 HydrophobicContact SD-CD2 3.88Å; M344-L346 HydrophobicContact SD-CG 4.44Å; M344-L378 HydrophobicContact CE-CD2 4.13Å; M344-L378 HydrophobicContact SD-CD1 3.72Å; M344-L378 HydrophobicContact SD-CD2 3.63Å; M344-L378 HydrophobicContact SD-CG 4.33Å; M344-L385 HydrophobicContact CB-CD1 4.21Å; M344-E387 PolarHBondContact N-O 3.32Å; M344-L388 HydrophobicContact CB-CD1 3.92Å; M344-L388 HydrophobicContact CG-CD1 4.19Å; M344-L388 WeakPolarHBondContact O-CA 3.47Å; M344-S389 PolarHBondContact O-N 2.84Å
345D84.5Confident72.7Confident39 Ų3957.4 Ų57.421%0.20928%0.276CS..EExtended strand (participates in β ladder)trans-125.3117.8179-179.2-5.6000109.6S320 L321 I322 E347S320-D345 PolarHBondContact O-N 2.72Å; S320-D345 VanDerWaalsContact O-N 3.14Å; L321-D345 HydrophobicContact CB-CB 4.47Å; L321-D345 HydrophobicContact CD1-CB 4.43Å; L321-D345 HydrophobicContact CG-CB 3.83Å; I322-D345 PolarHBondContact N-O 2.95Å; D345-E347 WeakPolarHBondContact OD1-CB 3.3Å; D345-E347 PolarHBondContact OD1-N 3Å
346L81.5Confident70.7Confident0 Ų060.6 Ų60.60%030%0.298CS..  trans-109.310.9-177.5-51.8-174.5000112.5I322 F331 M344 D348 C349 I370 T374 S389 L390I322-L346 HydrophobicContact CB-CD2 4.48Å; F331-L346 HydrophobicContact CD1-CD2 4.3Å; F331-L346 HydrophobicContact CE1-CD1 4.46Å; F331-L346 HydrophobicContact CE1-CD2 3.3Å; F331-L346 HydrophobicContact CE2-CD2 4.49Å; F331-L346 HydrophobicContact CZ-CD1 4.47Å; F331-L346 HydrophobicContact CZ-CD2 3.43Å; F331-L346 VanDerWaalsContact CZ-CD2 3.43Å; M344-L346 HydrophobicContact CG-CD2 3.64Å; M344-L346 HydrophobicContact CG-CG 4.07Å; M344-L346 HydrophobicContact SD-CD2 3.88Å; M344-L346 HydrophobicContact SD-CG 4.44Å; L346-D348 VanDerWaalsContact C-N 3.34Å; L346-D348 PolarHBondContact O-N 2.94Å; L346-C349 VanDerWaalsContact O-CB 3.25Å; L346-C349 WeakPolarHBondContact O-CB 3.13Å; L346-C349 PolarHBondContact O-N 2.83Å; L346-I370 HydrophobicContact CB-CD1 4.18Å; L346-I370 HydrophobicContact CD1-CD1 4.19Å; L346-I370 HydrophobicContact CD1-CG2 4.42Å; L346-T374 HydrophobicContact CD1-CG2 4.05Å; L346-S389 WeakPolarHBondContact CB-O 3.27Å; L346-S389 PolarHBondContact N-O 3.23Å; L346-L390 HydrophobicContact CD1-CD2 3.65Å; L346-L390 HydrophobicContact CG-CD2 4.34Å
347E73.9Confident68.4Low69 Ų6962.1 Ų62.132%0.32231%0.311SS..Hα-helixtrans-54.7-47.8-175-166.5-172.2159.700112.7D345 C349 L351 S391 H392D345-E347 WeakPolarHBondContact OD1-CB 3.3Å; D345-E347 PolarHBondContact OD1-N 3Å; E347-C349 PolarHBondContact O-N 3.19Å; E347-L351 HydrophobicContact CG-CD1 4.49Å; E347-S391 WeakPolarHBondContact CA-O 3.16Å; E347-H392 IonicContact OE1-CD2 3.09Å; E347-H392 IonicContact OE1-NE2 3.25Å
348D66.4Low66.4Low23 Ų2367.7 Ų67.712%0.12334%0.335CS..Hα-helixtrans-72.7-8.6-176.7-78.2-19.2000113.5S297 M298 S324 L346S297-D348 VanDerWaalsContact CA-OD2 3.32Å; S297-D348 WeakPolarHBondContact CA-OD2 3.32Å; S297-D348 WeakPolarHBondContact CB-OD2 3.49Å; S297-D348 PolarHBondContact OG-OD2 2.78Å; M298-D348 HydrophobicContact CE-CB 4.29Å; M298-D348 VanDerWaalsContact CE-CG 3.49Å; M298-D348 WeakPolarHBondContact CE-OD1 3.2Å; S324-D348 WeakPolarHBondContact CA-O 3.41Å; S324-D348 WeakPolarHBondContact CB-O 3.37Å; S324-D348 PolarHBondContact N-O 3.13Å; L346-D348 VanDerWaalsContact C-N 3.34Å; L346-D348 PolarHBondContact O-N 2.94Å
349C61.8Low64.5Low0 Ų072.5 Ų72.50%038%0.375CS..Hα-helixtrans-65.8-42.3-179-670000110.4C323 S324 L346 E347 T368 I370C323-C349 PolarHBondContact O-SG 2.88Å; S324-C349 VanDerWaalsContact CA-O 3.31Å; S324-C349 WeakPolarHBondContact CA-O 3.48Å; L346-C349 VanDerWaalsContact O-CB 3.25Å; L346-C349 WeakPolarHBondContact O-CB 3.13Å; L346-C349 PolarHBondContact O-N 2.83Å; E347-C349 PolarHBondContact O-N 3.19Å; C349-T368 WeakPolarHBondContact O-CB 3.17Å; C349-T368 WeakPolarHBondContact O-CG2 3.39Å; C349-T368 PolarHBondContact O-OG1 2.74Å; C349-I370 HydrophobicContact CB-CD1 3.25Å; C349-I370 HydrophobicContact CB-CG1 4.21Å; C349-I370 VanDerWaalsContact SG-CD1 3.53Å
350S55.5Low62.7Low29 Ų2974.9 Ų74.920%0.20339%0.391CS..Hα-helixtrans-86.6-18.5-175.4-53.70000115A352 T368 H392S350-A352 PolarHBondContact O-N 3.46Å; S350-T368 WeakPolarHBondContact CA-OG1 3.36Å; S350-H392 WeakPolarHBondContact CB-O 3.13Å; S350-H392 PolarHBondContact OG-O 3.23Å
351L53.9Low61Low74 Ų7477.3 Ų77.339%0.38740%0.404SS..  trans-76.330.9-172.2-73.2171.8000114.1E347 F353E347-L351 HydrophobicContact CG-CD1 4.49Å; L351-F353 PolarHBondContact O-N 3.16Å
352A50.2Low59Low43 Ų4384.1 Ų84.136%0.35544%0.439SS..  trans-68.745.5178.900000113.8S350 C354S350-A352 PolarHBondContact O-N 3.46Å; A352-C354 PolarHBondContact O-N 3.18Å
353F44Very low56.8Low166 Ų16684.5 Ų84.573%0.72845%0.447SS*.  trans-75.670.4155.5-158.2-91.7000108.2L351 R355L351-F353 PolarHBondContact O-N 3.16Å; F353-R355 HydrophobicContact CD1-CG 3.72Å; F353-R355 HydrophobicContact CE1-CG 3.55Å; F353-R355 PolarHBondContact O-N 3.47Å
354C44.1Very low54.5Low52 Ų5291.4 Ų91.435%0.35147%0.473SS..  trans-61.998.9171.9-148.40000107.5A352 C356 C363A352-C354 PolarHBondContact O-N 3.18Å; C354-C356 HydrophobicContact CB-CB 4.11Å; C354-C356 WeakPolarHBondContact CB-SG 3.18Å; C354-C356 PolarHBondContact O-N 3.34Å; C354-C356 WeakPolarHBondContact SG-CB 3.18Å; C354-C356 CovalentContact SG-SG 2.06Å; C354-C356 PolarHBondContact SG-SG 3.2Å; C354-C363 HydrophobicContact CB-CB 4.2Å; C354-C363 WeakPolarHBondContact CB-SG 3.37Å
355R42.2Very low52.4Low205 Ų20597.7 Ų97.777%0.77451%0.505SS*.  trans-72.931.2162.6-85.1-175.2-176172.83.2111.7F353 I357F353-R355 HydrophobicContact CD1-CG 3.72Å; F353-R355 HydrophobicContact CE1-CG 3.55Å; F353-R355 PolarHBondContact O-N 3.47Å; R355-I357 PolarHBondContact O-N 3.14Å
356C45.6Very low50.6Low70 Ų7098.6 Ų98.647%0.47352%0.518SS..  trans-7375.8179.9-49.30000107.5C354 Q358C354-C356 HydrophobicContact CB-CB 4.11Å; C354-C356 WeakPolarHBondContact CB-SG 3.18Å; C354-C356 PolarHBondContact O-N 3.34Å; C354-C356 WeakPolarHBondContact SG-CB 3.18Å; C354-C356 CovalentContact SG-SG 2.06Å; C354-C356 PolarHBondContact SG-SG 3.2Å; C356-Q358 PolarHBondContact O-N 2.93Å
357I38.8Very low49.2Very low163 Ų163103.7 Ų103.784%0.83654%0.544SS*.  trans-76.469.6166.9-54.4172.3000105.9R355R355-I357 PolarHBondContact O-N 3.14Å
358Q43.8Very low48.3Very low168 Ų168101 Ų10179%0.78553%0.532SS*.  trans-126.6126.1155.3-76-168.7-23.300106.3C356 D360C356-Q358 PolarHBondContact O-N 2.93Å; Q358-D360 VanDerWaalsContact C-N 3.25Å; Q358-D360 PolarHBondContact O-N 2.76Å
359A47Very low48.4Very low100 Ų100105.9 Ų105.983%0.82656%0.555SS**THydrogen-bonded Turntrans-70.9-1.3-146.200000117
360D46.3Very low49.4Very low150 Ų150106 Ų10680%0.80256%0.555SS**THydrogen-bonded Turntrans-126-8.1-168.5-65.3-44.5000116.1Q358Q358-D360 VanDerWaalsContact C-N 3.25Å; Q358-D360 PolarHBondContact O-N 2.76Å
361D49Very low50.9Low140 Ų140106.5 Ų106.575%0.74956%0.557SS**  trans-100.596.7168.4-76.5-34.8000108.3C363D361-C363 VanDerWaalsContact C-N 3.27Å; D361-C363 PolarHBondContact O-N 2.66Å
362I43.4Very low52.8Low142 Ų142104.7 Ų104.773%0.72855%0.548SS*.  trans-44.1101.7158.9-63164.2000105.6R364I362-R364 HydrophobicContact CG2-CB 3.78Å; I362-R364 HydrophobicContact CG2-CG 3.63Å; I362-R364 PolarHBondContact O-N 3.25Å
363C45.1Very low54.7Low66 Ų66107.1 Ų107.145%0.44655%0.552SS.*  trans-66.877.6165.8-166.40000104.7C354 D361 I365C354-C363 HydrophobicContact CB-CB 4.2Å; C354-C363 WeakPolarHBondContact CB-SG 3.37Å; D361-C363 VanDerWaalsContact C-N 3.27Å; D361-C363 PolarHBondContact O-N 2.66Å; C363-I365 PolarHBondContact O-N 2.86Å
364R40.4Very low56.9Low215 Ų21599.2 Ų99.281%0.81152%0.517SS*.  trans-74.181.8-177.1-136.3178.774.4-153.50.9102.7I362 A366I362-R364 HydrophobicContact CG2-CB 3.78Å; I362-R364 HydrophobicContact CG2-CG 3.63Å; I362-R364 PolarHBondContact O-N 3.25Å; R364-A366 PolarHBondContact O-N 2.92Å
365I43.9Very low59.1Low137 Ų13796.7 Ų96.770%0.70350%0.5SS*.  trans-18.578.9177.4-60.3163.2000109.7C363 I367C363-I365 PolarHBondContact O-N 2.86Å; I365-I367 HydrophobicContact CG2-CD1 3.61Å; I365-I367 HydrophobicContact CG2-CG1 3.49Å; I365-I367 VanDerWaalsContact CG2-CG1 3.49Å; I365-I367 PolarHBondContact O-N 3.3Å
366A46.4Very low61.5Low58 Ų5888.3 Ų88.348%0.47948%0.475SS..  trans-80.981.5166.100000101.5L325 R364 T368L325-A366 HydrophobicContact CD2-CB 4.43Å; R364-A366 PolarHBondContact O-N 2.92Å; A366-T368 PolarHBondContact O-N 3.32Å
367I50.7Low63.6Low107 Ų10786.7 Ų86.755%0.54946%0.46SS..  trans-53.2113.2163.2-70.3142.6000103.9I365 Q369I365-I367 HydrophobicContact CG2-CD1 3.61Å; I365-I367 HydrophobicContact CG2-CG1 3.49Å; I365-I367 VanDerWaalsContact CG2-CG1 3.49Å; I365-I367 PolarHBondContact O-N 3.3Å; I367-Q369 PolarHBondContact O-N 3.17Å
368T55.7Low65.9Low12 Ų1279 Ų797%0.07442%0.421CS..  trans-50.9128.5174.941.90000109.5S324 C349 S350 A366 I370S324-T368 WeakPolarHBondContact O-CG2 3.5Å; C349-T368 WeakPolarHBondContact O-CB 3.17Å; C349-T368 WeakPolarHBondContact O-CG2 3.39Å; C349-T368 PolarHBondContact O-OG1 2.74Å; S350-T368 WeakPolarHBondContact CA-OG1 3.36Å; A366-T368 PolarHBondContact O-N 3.32Å; T368-I370 VanDerWaalsContact C-N 3.28Å; T368-I370 PolarHBondContact O-N 2.83Å
369Q68.9Low68Low126 Ų12671.4 Ų71.459%0.58939%0.387SS*.  trans-93.457.9178.9-61.6-170.79.600109.6I367 T371I367-Q369 PolarHBondContact O-N 3.17Å; Q369-T371 HydrophobicContact CB-CG2 4.48Å; Q369-T371 PolarHBondContact O-N 2.84Å
370I81.9Confident69.9Low3 Ų370.9 Ų70.92%0.01538%0.382CS..  trans-78.9110.6163.2-63.8-170.7000106.2F331 L346 C349 T368 T374 L395 I396F331-I370 HydrophobicContact CD2-CD1 4.45Å; F331-I370 HydrophobicContact CE2-CD1 3.51Å; F331-I370 HydrophobicContact CE2-CG1 3.86Å; F331-I370 HydrophobicContact CZ-CD1 3.89Å; L346-I370 HydrophobicContact CB-CD1 4.18Å; L346-I370 HydrophobicContact CD1-CD1 4.19Å; L346-I370 HydrophobicContact CD1-CG2 4.42Å; C349-I370 HydrophobicContact CB-CD1 3.25Å; C349-I370 HydrophobicContact CB-CG1 4.21Å; C349-I370 VanDerWaalsContact SG-CD1 3.53Å; T368-I370 VanDerWaalsContact C-N 3.28Å; T368-I370 PolarHBondContact O-N 2.83Å; I370-T374 HydrophobicContact CG2-CG2 4.1Å; I370-L395 WeakPolarHBondContact O-CB 3.42Å; I370-I396 HydrophobicContact CG2-CD1 4.28Å
371T88.6Confident71.6Confident39 Ų3964.4 Ų64.424%0.23935%0.351CS..BIsolated β-bridgetrans-119.5-178-179.474.80000110.4D328 Q369 Q373 T374 L395 I396D328-T371 PolarHBondContact OD1-N 3.44Å; D328-T371 PolarHBondContact OD2-OG1 3.22Å; Q369-T371 HydrophobicContact CB-CG2 4.48Å; Q369-T371 PolarHBondContact O-N 2.84Å; T371-Q373 PolarHBondContact O-N 2.99Å; T371-Q373 WeakPolarHBondContact OG1-CB 3.44Å; T371-Q373 PolarHBondContact OG1-N 3.22Å; T371-T374 WeakPolarHBondContact O-CB 3.17Å; T371-T374 PolarHBondContact O-N 2.72Å; T371-L395 HydrophobicContact CG2-CB 4.3Å; T371-L395 HydrophobicContact CG2-CD1 4.14Å; T371-I396 VanDerWaalsContact O-CD1 3.26Å; T371-I396 WeakPolarHBondContact O-CD1 3.41Å
372D92.1Very high73.2Confident36 Ų3657.7 Ų57.719%0.19332%0.315CS..Hα-helixtrans-53.1-21.8172.9-64-19.5000112.5L375 A376 I396 T397 G400D372-L375 WeakPolarHBondContact O-CB 3.37Å; D372-L375 PolarHBondContact O-N 2.92Å; D372-A376 PolarHBondContact O-N 2.97Å; D372-I396 WeakPolarHBondContact OD1-CA 3.41Å; D372-T397 PolarHBondContact OD1-N 3.08Å; D372-T397 PolarHBondContact OD2-OG1 3.08Å; D372-G400 VanDerWaalsContact CG-N 3.3Å; D372-G400 VanDerWaalsContact OD1-CA 3.29Å; D372-G400 WeakPolarHBondContact OD1-CA 3.35Å; D372-G400 PolarHBondContact OD1-N 3.24Å; D372-G400 PolarHBondContact OD2-N 3.13Å
373Q91.4Very high75Confident94 Ų9452.1 Ų52.144%0.43929%0.292SS..Hα-helixtrans-65.4-37.3174.9-169.462.827.200112.9D328 T371 L375 A376 H377D328-Q373 HydrophobicContact CB-CB 4.18Å; D328-Q373 HydrophobicContact CB-CG 4.17Å; T371-Q373 PolarHBondContact O-N 2.99Å; T371-Q373 WeakPolarHBondContact OG1-CB 3.44Å; T371-Q373 PolarHBondContact OG1-N 3.22Å; Q373-L375 VanDerWaalsContact C-N 3.29Å; Q373-L375 PolarHBondContact O-N 3.13Å; Q373-A376 WeakPolarHBondContact O-CB 3.34Å; Q373-A376 PolarHBondContact O-N 3.46Å; Q373-H377 WeakPolarHBondContact CG-NE2 3.04Å; Q373-H377 PolarHBondContact NE2-CE1 3.14Å; Q373-H377 PolarHBondContact NE2-NE2 3.16Å; Q373-H377 PolarHBondContact O-CD2 2.97Å; Q373-H377 PolarHBondContact O-N 2.89Å
374T89.7Confident76.9Confident0 Ų051.1 Ų51.10%029%0.286CS..Hα-helixtrans-58.1-44.5170.3-75.70000110.5D328 F331 L346 I370 T371 A376 H377 L378D328-T374 WeakPolarHBondContact CA-OG1 3.27Å; D328-T374 VanDerWaalsContact OD1-CB 3.31Å; D328-T374 WeakPolarHBondContact OD1-CB 3.36Å; D328-T374 PolarHBondContact OD1-N 2.95Å; D328-T374 VanDerWaalsContact OD1-N 3.1Å; D328-T374 PolarHBondContact OD1-OG1 2.77Å; F331-T374 HydrophobicContact CB-CG2 3.92Å; F331-T374 HydrophobicContact CD1-CG2 4.41Å; F331-T374 HydrophobicContact CD2-CG2 3.9Å; F331-T374 WeakPolarHBondContact CD2-OG1 3.44Å; F331-T374 HydrophobicContact CG-CG2 3.8Å; L346-T374 HydrophobicContact CD1-CG2 4.05Å; I370-T374 HydrophobicContact CG2-CG2 4.1Å; T371-T374 WeakPolarHBondContact O-CB 3.17Å; T371-T374 PolarHBondContact O-N 2.72Å; T374-A376 VanDerWaalsContact C-N 3.33Å; T374-A376 PolarHBondContact O-N 3.14Å; T374-H377 PolarHBondContact O-N 3.19Å; T374-H377 VanDerWaalsContact O-N 3.14Å; T374-L378 HydrophobicContact CG2-CD1 3.86Å; T374-L378 HydrophobicContact CG2-CG 4.23Å; T374-L378 WeakPolarHBondContact O-CG 3.45Å; T374-L378 PolarHBondContact O-N 3.03Å
375L90.7Very high79.1Confident0 Ų040.9 Ų40.90%025%0.248CC..Hα-helixtrans-65.7-37.7177.6-56.7-172.5000111.9D372 Q373 H377 L378 S379 L388 L390 I396 G400 I401 L404D372-L375 WeakPolarHBondContact O-CB 3.37Å; D372-L375 PolarHBondContact O-N 2.92Å; Q373-L375 VanDerWaalsContact C-N 3.29Å; Q373-L375 PolarHBondContact O-N 3.13Å; L375-H377 VanDerWaalsContact C-N 3.28Å; L375-H377 PolarHBondContact O-N 3.37Å; L375-L378 PolarHBondContact O-N 3.11Å; L375-S379 WeakPolarHBondContact O-CB 3.04Å; L375-S379 PolarHBondContact O-N 3.41Å; L375-S379 PolarHBondContact O-OG 3.32Å; L375-L388 HydrophobicContact CD2-CD2 4.33Å; L375-L390 HydrophobicContact CD1-CD1 3.94Å; L375-L390 HydrophobicContact CD2-CD1 3.54Å; L375-L390 HydrophobicContact CD2-CD2 3.7Å; L375-L390 HydrophobicContact CD2-CG 4.27Å; L375-L390 HydrophobicContact CG-CD1 4.37Å; L375-I396 HydrophobicContact CD1-CD1 3.8Å; L375-I396 HydrophobicContact CD1-CG2 3.78Å; L375-I396 HydrophobicContact CD2-CD1 4.35Å; L375-I396 HydrophobicContact CG-CD1 3.77Å; L375-G400 VanDerWaalsContact CD1-C 3.41Å; L375-G400 WeakPolarHBondContact CD1-O 3.35Å; L375-I401 HydrophobicContact CD1-CD1 4.03Å; L375-L404 HydrophobicContact CB-CB 4.43Å; L375-L404 HydrophobicContact CB-CD1 4.41Å; L375-L404 HydrophobicContact CD1-CD1 4.48Å; L375-L404 HydrophobicContact CD2-CD1 3.87Å; L375-L404 HydrophobicContact CG-CD1 4.47Å
376A91.4Very high81.4Confident29 Ų2936.6 Ų36.624%0.2423%0.225CC..Hα-helixtrans-61.5-37.6173.400000111.8D372 Q373 T374 S379 A380 T403D372-A376 PolarHBondContact O-N 2.97Å; Q373-A376 WeakPolarHBondContact O-CB 3.34Å; Q373-A376 PolarHBondContact O-N 3.46Å; T374-A376 VanDerWaalsContact C-N 3.33Å; T374-A376 PolarHBondContact O-N 3.14Å; A376-S379 WeakPolarHBondContact CA-OG 3.23Å; A376-S379 PolarHBondContact O-OG 3.27Å; A376-A380 WeakPolarHBondContact O-CB 3.11Å; A376-A380 PolarHBondContact O-N 3.16Å; A376-T403 HydrophobicContact CB-CG2 4.32Å
377H89.9Confident83.6Confident36 Ų3637 Ų3717%0.16722%0.218CC..Hα-helixtrans-71.4-48.4176.7-68.1-39.7000112.9H332 A335 Q373 T374 L375 S379 A380 G381H332-H377 AromaticContact CE1-CE1 3.98Å; H332-H377 AromaticContact CG-CE1 3.77Å; H332-H377 AromaticContact CG-ND1 3.94Å; H332-H377 AromaticContact CG-NE2 3.9Å; H332-H377 AromaticContact ND1-CE1 3.2Å; H332-H377 PolarHBondContact ND1-CE1 3.15Å; H332-H377 AromaticContact ND1-CG 3.64Å; H332-H377 AromaticContact ND1-ND1 3.11Å; H332-H377 PolarHBondContact ND1-ND1 2.95Å; H332-H377 VanDerWaalsContact ND1-ND1 3.11Å; H332-H377 AromaticContact ND1-NE2 3.78Å; A335-H377 HydrophobicContact CB-CB 4.36Å; A335-H377 WeakPolarHBondContact CB-O 3.33Å; Q373-H377 WeakPolarHBondContact CG-NE2 3.04Å; Q373-H377 PolarHBondContact NE2-CE1 3.14Å; Q373-H377 PolarHBondContact NE2-NE2 3.16Å; Q373-H377 PolarHBondContact O-CD2 2.97Å; Q373-H377 PolarHBondContact O-N 2.89Å; T374-H377 PolarHBondContact O-N 3.19Å; T374-H377 VanDerWaalsContact O-N 3.14Å; L375-H377 VanDerWaalsContact C-N 3.28Å; L375-H377 PolarHBondContact O-N 3.37Å; H377-S379 VanDerWaalsContact C-N 3.33Å; H377-S379 PolarHBondContact O-N 2.94Å; H377-A380 PolarHBondContact O-N 2.83Å; H377-G381 PolarHBondContact O-N 3.49Å
378L88Confident85.5Confident0 Ų032 Ų320%019%0.192CC..Hα-helixtrans-62.1-42.5177.8-65.7176.5000111.4A335 M344 T374 L375 A380 G381 C382 L388A335-L378 HydrophobicContact CB-CD2 4.39Å; M344-L378 HydrophobicContact CE-CD2 4.13Å; M344-L378 HydrophobicContact SD-CD1 3.72Å; M344-L378 HydrophobicContact SD-CD2 3.63Å; M344-L378 HydrophobicContact SD-CG 4.33Å; T374-L378 HydrophobicContact CG2-CD1 3.86Å; T374-L378 HydrophobicContact CG2-CG 4.23Å; T374-L378 WeakPolarHBondContact O-CG 3.45Å; T374-L378 PolarHBondContact O-N 3.03Å; L375-L378 PolarHBondContact O-N 3.11Å; L378-A380 VanDerWaalsContact C-N 3.28Å; L378-A380 PolarHBondContact O-N 2.94Å; L378-G381 PolarHBondContact O-N 2.78Å; L378-C382 WeakPolarHBondContact O-CA 3.35Å; L378-C382 WeakPolarHBondContact O-CB 3.36Å; L378-C382 PolarHBondContact O-N 3.03Å; L378-L388 HydrophobicContact CD1-CD1 4.28Å
379S87.5Confident87.2Confident10 Ų1031.7 Ų31.77%0.0719%0.19CC..Hα-helixtrans-65.8-27.9178.659.40000113.8L375 A376 H377 S407L375-S379 WeakPolarHBondContact O-CB 3.04Å; L375-S379 PolarHBondContact O-N 3.41Å; L375-S379 PolarHBondContact O-OG 3.32Å; A376-S379 WeakPolarHBondContact CA-OG 3.23Å; A376-S379 PolarHBondContact O-OG 3.27Å; H377-S379 VanDerWaalsContact C-N 3.33Å; H377-S379 PolarHBondContact O-N 2.94Å; S379-S407 PolarHBondContact O-OG 3.48Å
380A86.9Confident88.2Confident88 Ų8825.7 Ų25.773%0.72716%0.162SC*.Hα-helixtrans-87.1-31.2177.600000113.4A376 H377 L378A376-A380 WeakPolarHBondContact O-CB 3.11Å; A376-A380 PolarHBondContact O-N 3.16Å; H377-A380 PolarHBondContact O-N 2.83Å; L378-A380 VanDerWaalsContact C-N 3.28Å; L378-A380 PolarHBondContact O-N 2.94Å
381G83.2Confident88.5Confident14 Ų1425.7 Ų25.714%0.14416%0.162CC..Hα-helixtrans-106.3-29.1-171.900000115.6A335 H339 H377 L378A335-G381 VanDerWaalsContact O-CA 3.3Å; A335-G381 WeakPolarHBondContact O-CA 3.25Å; H339-G381 PolarHBondContact ND1-O 2.89Å; H377-G381 PolarHBondContact O-N 3.49Å; L378-G381 PolarHBondContact O-N 2.78Å
382C81.7Confident88.3Confident0 Ų025.8 Ų25.80%016%0.16CC..  trans-112.967.6-170.8-54.40000111.1L341 L378 S384 L385L341-C382 HydrophobicContact CB-CB 4.41Å; L378-C382 WeakPolarHBondContact O-CA 3.35Å; L378-C382 WeakPolarHBondContact O-CB 3.36Å; L378-C382 PolarHBondContact O-N 3.03Å; C382-S384 PolarHBondContact O-N 2.88Å; C382-S384 VanDerWaalsContact O-N 3.17Å; C382-L385 PolarHBondContact O-N 3.14Å
383G80.6Confident88Confident25 Ų2524.1 Ų24.126%0.25815%0.151SC..THydrogen-bonded Turntrans-64.1-18.4-178.500000114.5L411 N413G383-L411 VanDerWaalsContact CA-CD1 3.49Å; G383-L411 WeakPolarHBondContact O-CD1 3.47Å; G383-N413 PolarHBondContact O-ND2 2.93Å
384S85.8Confident87.7Confident45 Ų4525 Ų2532%0.31516%0.155SC..THydrogen-bonded Turntrans-88.44.5-177.5-58.60000114.3H339 L341 E342 C382 I386H339-S384 PolarHBondContact O-OG 2.66Å; L341-S384 CarbonylContact O-C 3.6Å; E342-S384 WeakPolarHBondContact CA-O 3.45Å; C382-S384 PolarHBondContact O-N 2.88Å; C382-S384 VanDerWaalsContact O-N 3.17Å; S384-I386 WeakPolarHBondContact O-CG1 3.39Å; S384-I386 PolarHBondContact O-N 3.48Å
385L87.4Confident87.6Confident0 Ų028.5 Ų28.50%017%0.173CC..  trans-65121.5-173.4-157.975.8000112.4L341 M344 C382 L388 L408 N413 L414L341-L385 WeakPolarHBondContact O-CA 3.41Å; L341-L385 PolarHBondContact O-N 2.9Å; M344-L385 HydrophobicContact CB-CD1 4.21Å; C382-L385 PolarHBondContact O-N 3.14Å; L385-L388 HydrophobicContact CD2-CB 3.86Å; L385-L388 HydrophobicContact CD2-CD1 4.15Å; L385-L388 HydrophobicContact CD2-CD2 3.92Å; L385-L388 HydrophobicContact CD2-CG 4.19Å; L385-L408 HydrophobicContact CB-CD1 4.14Å; L385-L408 HydrophobicContact CD2-CD1 3.85Å; L385-N413 CarbonylContact O-C 3.37Å; L385-L414 HydrophobicContact CD2-CD1 4.47Å; L385-L414 WeakPolarHBondContact O-CA 3.4Å; L385-L414 PolarHBondContact O-N 2.86Å
386I91.2Very high87.6Confident46 Ų4628.5 Ų28.524%0.23617%0.173CC..  trans-105.8-39.7-177.5-57.8-178.3000111.2E342 S384 T415 V416E342-I386 HydrophobicContact CB-CB 4.22Å; E342-I386 HydrophobicContact CB-CD1 3.91Å; E342-I386 HydrophobicContact CB-CG1 3.9Å; E342-I386 HydrophobicContact CG-CD1 3.76Å; E342-I386 HydrophobicContact CG-CG1 4.09Å; E342-I386 WeakPolarHBondContact O-CA 2.93Å; E342-I386 PolarHBondContact O-N 2.95Å; S384-I386 WeakPolarHBondContact O-CG1 3.39Å; S384-I386 PolarHBondContact O-N 3.48Å; I386-T415 HydrophobicContact CG2-CG2 4.07Å; I386-T415 VanDerWaalsContact CG2-OG1 3.23Å; I386-T415 WeakPolarHBondContact CG2-OG1 3.35Å; I386-T415 PolarHBondContact O-N 3.5Å; I386-T415 PolarHBondContact O-OG1 3.19Å; I386-V416 PolarHBondContact O-N 2.93Å
387E92.5Very high87.8Confident68 Ų6829.1 Ų29.132%0.31817%0.174SC..EExtended strand (participates in β ladder)trans-133.6125.8-177.1-48.6179176.800109.3E342 R343 M344 V416E342-E387 PolarHBondContact O-N 3.5Å; R343-E387 WeakPolarHBondContact CA-O 3.23Å; R343-E387 WeakPolarHBondContact CD-OE2 3.14Å; R343-E387 HydrophobicContact CG-CB 4.08Å; R343-E387 HydrophobicContact CG-CG 4.27Å; R343-E387 IonicContact NE-OE1 2.98Å; R343-E387 IonicContact NE-OE2 2.98Å; R343-E387 PolarHBondContact NE-OE2 2.8Å; R343-E387 IonicContact NH2-OE1 3.72Å; M344-E387 PolarHBondContact N-O 3.32Å; E387-V416 WeakPolarHBondContact CA-O 3.48Å; E387-V416 HydrophobicContact CB-CB 4.04Å; E387-V416 HydrophobicContact CG-CB 3.92Å; E387-V416 HydrophobicContact CG-CG2 3.97Å
388L91.6Very high88.1Confident2 Ų228.8 Ų28.81%0.0117%0.174CC..EExtended strand (participates in β ladder)trans-131.9122.5178.1-178.661.9000110.4M344 L375 L378 L385 L390 L404 L414 V416 L417 E418M344-L388 HydrophobicContact CB-CD1 3.92Å; M344-L388 HydrophobicContact CG-CD1 4.19Å; M344-L388 WeakPolarHBondContact O-CA 3.47Å; L375-L388 HydrophobicContact CD2-CD2 4.33Å; L378-L388 HydrophobicContact CD1-CD1 4.28Å; L385-L388 HydrophobicContact CD2-CB 3.86Å; L385-L388 HydrophobicContact CD2-CD1 4.15Å; L385-L388 HydrophobicContact CD2-CD2 3.92Å; L385-L388 HydrophobicContact CD2-CG 4.19Å; L388-L390 HydrophobicContact CD1-CD2 3.93Å; L388-L390 HydrophobicContact CD1-CG 4.48Å; L388-L390 HydrophobicContact CD2-CD1 4.03Å; L388-L390 HydrophobicContact CD2-CD2 3.93Å; L388-L390 HydrophobicContact CD2-CG 3.97Å; L388-L390 HydrophobicContact CG-CD1 4.5Å; L388-L390 HydrophobicContact CG-CD2 3.88Å; L388-L390 HydrophobicContact CG-CG 3.92Å; L388-L404 HydrophobicContact CD2-CD1 3.35Å; L388-L414 HydrophobicContact CB-CD1 4.13Å; L388-V416 PolarHBondContact N-O 3.2Å; L388-L417 HydrophobicContact CB-CD1 4.09Å; L388-L417 HydrophobicContact CD2-CD1 4.15Å; L388-L417 HydrophobicContact CG-CD1 4.26Å; L388-L417 WeakPolarHBondContact O-CA 3.35Å; L388-E418 PolarHBondContact O-N 2.73Å
389S90.7Very high88.5Confident5 Ų533.2 Ų33.24%0.03519%0.194CC..EExtended strand (participates in β ladder)trans-102.9117.4168.9-160.20000110.3M344 L346 S391 E418M344-S389 PolarHBondContact O-N 2.84Å; L346-S389 WeakPolarHBondContact CB-O 3.27Å; L346-S389 PolarHBondContact N-O 3.23Å; S389-S391 PolarHBondContact OG-OG 3.49Å; S389-E418 VanDerWaalsContact CB-OE2 3.29Å; S389-E418 WeakPolarHBondContact CB-OE2 3.46Å; S389-E418 WeakPolarHBondContact OG-CB 3.5Å; S389-E418 PolarHBondContact OG-OE2 3.19Å
390L89.3Confident88.8Confident0 Ų032.8 Ų32.80%019%0.191CC..  trans-112.519.7171.6-53174.1000110.3L346 L375 L388 C393 I401 L417 E418 L419 C422L346-L390 HydrophobicContact CD1-CD2 3.65Å; L346-L390 HydrophobicContact CG-CD2 4.34Å; L375-L390 HydrophobicContact CD1-CD1 3.94Å; L375-L390 HydrophobicContact CD2-CD1 3.54Å; L375-L390 HydrophobicContact CD2-CD2 3.7Å; L375-L390 HydrophobicContact CD2-CG 4.27Å; L375-L390 HydrophobicContact CG-CD1 4.37Å; L388-L390 HydrophobicContact CD1-CD2 3.93Å; L388-L390 HydrophobicContact CD1-CG 4.48Å; L388-L390 HydrophobicContact CD2-CD1 4.03Å; L388-L390 HydrophobicContact CD2-CD2 3.93Å; L388-L390 HydrophobicContact CD2-CG 3.97Å; L388-L390 HydrophobicContact CG-CD1 4.5Å; L388-L390 HydrophobicContact CG-CD2 3.88Å; L388-L390 HydrophobicContact CG-CG 3.92Å; L390-C393 HydrophobicContact CB-CB 4.32Å; L390-C393 WeakPolarHBondContact O-CB 3.24Å; L390-C393 PolarHBondContact O-N 2.9Å; L390-C393 PolarHBondContact O-SG 2.85Å; L390-I401 HydrophobicContact CD1-CD1 3.96Å; L390-L417 HydrophobicContact CD1-CD1 4.31Å; L390-E418 PolarHBondContact N-O 3.31Å; L390-L419 HydrophobicContact CB-CD2 3.92Å; L390-L419 HydrophobicContact CD1-CD2 3.78Å; L390-L419 HydrophobicContact CG-CD2 4.26Å; L390-C422 PolarHBondContact O-SG 3.21Å
391S87.8Confident89.1Confident2 Ų228.6 Ų28.61%0.01416%0.157CC..THydrogen-bonded Turntrans-54.6143.5179.9-65.60000110.2E347 S389 C393 E418 D420E347-S391 WeakPolarHBondContact CA-O 3.16Å; S389-S391 PolarHBondContact OG-OG 3.49Å; S391-C393 PolarHBondContact O-N 2.83Å; S391-E418 PolarHBondContact N-O 3.31Å; S391-D420 CarbonylContact C-O 3.53Å; S391-D420 WeakPolarHBondContact CA-O 3.35Å; S391-D420 WeakPolarHBondContact OG-CB 3.36Å; S391-D420 PolarHBondContact OG-N 3.34Å
392H84.3Confident89.7Confident42 Ų4232.2 Ų32.219%0.19417%0.166CC..THydrogen-bonded Turntrans60.58.3-174.6-59.4-88.3000115.5E347 S350 E394 D420 N421E347-H392 IonicContact OE1-CD2 3.09Å; E347-H392 IonicContact OE1-NE2 3.25Å; S350-H392 WeakPolarHBondContact CB-O 3.13Å; S350-H392 PolarHBondContact OG-O 3.23Å; H392-E394 PolarHBondContact O-N 3.36Å; H392-D420 PolarHBondContact N-O 3.31Å; H392-N421 PolarHBondContact CE1-ND2 3.46Å; H392-N421 VanDerWaalsContact CE1-ND2 3.27Å; H392-N421 PolarHBondContact ND1-ND2 2.85Å
393C86.1Confident90.2Very high0 Ų034.2 Ų34.20%018%0.178CC..  trans-75.188.4176.5-67.60000111.8L390 S391 L395 I396L390-C393 HydrophobicContact CB-CB 4.32Å; L390-C393 WeakPolarHBondContact O-CB 3.24Å; L390-C393 PolarHBondContact O-N 2.9Å; L390-C393 PolarHBondContact O-SG 2.85Å; S391-C393 PolarHBondContact O-N 2.83Å; C393-L395 VanDerWaalsContact C-N 3.27Å; C393-L395 PolarHBondContact O-N 2.86Å; C393-I396 HydrophobicContact CB-CB 4.24Å; C393-I396 HydrophobicContact CB-CG1 3.54Å; C393-I396 PolarHBondContact O-N 2.97Å
394E85.3Confident90.7Very high113 Ų11333 Ų3353%0.52817%0.166SC..THydrogen-bonded Turntrans-64.5-22.9-170.3-63.2-174178.800115.6H392 P423 L424H392-E394 PolarHBondContact O-N 3.36Å; E394-P423 HydrophobicContact CB-CG 4.27Å; E394-P423 HydrophobicContact CG-CG 4.4Å; E394-L424 VanDerWaalsContact O-CD1 3.23Å; E394-L424 WeakPolarHBondContact O-CD1 3.3Å; E394-L424 WeakPolarHBondContact O-CG 3.45Å
395L88.5Confident90.9Very high73 Ų7330.9 Ų30.938%0.38215%0.151SC..BIsolated β-bridgetrans-100.90.2-176-59.1177.2000113.7I370 T371 C393I370-L395 WeakPolarHBondContact O-CB 3.42Å; T371-L395 HydrophobicContact CG2-CB 4.3Å; T371-L395 HydrophobicContact CG2-CD1 4.14Å; C393-L395 VanDerWaalsContact C-N 3.27Å; C393-L395 PolarHBondContact O-N 2.86Å
396I90.9Very high91Very high0 Ų035.2 Ų35.20%017%0.174CC..  trans-79127.2176-64.3-69.6000109.5I370 T371 D372 L375 C393 I401 L424 I425I370-I396 HydrophobicContact CG2-CD1 4.28Å; T371-I396 VanDerWaalsContact O-CD1 3.26Å; T371-I396 WeakPolarHBondContact O-CD1 3.41Å; D372-I396 WeakPolarHBondContact OD1-CA 3.41Å; L375-I396 HydrophobicContact CD1-CD1 3.8Å; L375-I396 HydrophobicContact CD1-CG2 3.78Å; L375-I396 HydrophobicContact CD2-CD1 4.35Å; L375-I396 HydrophobicContact CG-CD1 3.77Å; C393-I396 HydrophobicContact CB-CB 4.24Å; C393-I396 HydrophobicContact CB-CG1 3.54Å; C393-I396 PolarHBondContact O-N 2.97Å; I396-I401 HydrophobicContact CG2-CD1 3.98Å; I396-I401 HydrophobicContact CG2-CG1 4.21Å; I396-L424 WeakPolarHBondContact O-CB 3.15Å; I396-I425 HydrophobicContact CG2-CD1 4.22Å
397T94.2Very high90.7Very high42 Ų4235 Ų3526%0.25818%0.177SC..  trans-111.8173.7-177.782.10000111.9D372 E399 G400 I401 L424 I425D372-T397 PolarHBondContact OD1-N 3.08Å; D372-T397 PolarHBondContact OD2-OG1 3.08Å; T397-E399 PolarHBondContact O-N 2.94Å; T397-E399 VanDerWaalsContact O-N 3.13Å; T397-E399 WeakPolarHBondContact OG1-CB 3.46Å; T397-E399 PolarHBondContact OG1-N 3.48Å; T397-G400 PolarHBondContact O-N 3.36Å; T397-G400 VanDerWaalsContact O-N 3.17Å; T397-I401 PolarHBondContact O-N 2.94Å; T397-L424 HydrophobicContact CG2-CB 4.28Å; T397-L424 HydrophobicContact CG2-CD1 3.96Å; T397-I425 VanDerWaalsContact C-CD1 3.45Å; T397-I425 WeakPolarHBondContact O-CD1 3.35Å
398D96.3Very high89.9Confident30 Ų3031.8 Ų31.816%0.1616%0.162CC..Hα-helixtrans-54.3-29.6173.2-61.3-40.1000112.6R402 T426 Q428 A429D398-R402 VanDerWaalsContact O-CB 3.32Å; D398-R402 WeakPolarHBondContact O-CB 3.48Å; D398-R402 PolarHBondContact O-N 3.45Å; D398-T426 PolarHBondContact OD1-N 3.25Å; D398-T426 PolarHBondContact OD1-OG1 2.82Å; D398-T426 WeakPolarHBondContact OD2-CB 3.47Å; D398-T426 WeakPolarHBondContact OD2-CG2 3.29Å; D398-T426 PolarHBondContact OD2-OG1 3.45Å; D398-Q428 HydrophobicContact CB-CB 4.18Å; D398-Q428 HydrophobicContact CB-CG 4.27Å; D398-A429 HydrophobicContact CB-CB 4.42Å; D398-A429 WeakPolarHBondContact OD1-CB 3.41Å; D398-A429 PolarHBondContact OD1-N 3.23Å; D398-A429 VanDerWaalsContact OD1-N 3.14Å
399E95.9Very high88.8Confident93 Ų9332 Ų3244%0.43516%0.163SC..Hα-helixtrans-72.1-39.4180-178.763-175.300112.6T397 R402 T403T397-E399 PolarHBondContact O-N 2.94Å; T397-E399 VanDerWaalsContact O-N 3.13Å; T397-E399 WeakPolarHBondContact OG1-CB 3.46Å; T397-E399 PolarHBondContact OG1-N 3.48Å; E399-R402 VanDerWaalsContact CD-NH2 3.33Å; E399-R402 PolarHBondContact O-N 3.31Å; E399-R402 IonicContact OE1-CZ 3.28Å; E399-R402 IonicContact OE1-NE 3.32Å; E399-R402 IonicContact OE1-NH2 2.85Å; E399-R402 PolarHBondContact OE1-NH2 3.34Å; E399-R402 IonicContact OE2-CZ 3.49Å; E399-R402 IonicContact OE2-NE 3.59Å; E399-R402 PolarHBondContact OE2-NE 3.21Å; E399-R402 IonicContact OE2-NH2 2.62Å; E399-R402 PolarHBondContact OE2-NH2 3.27Å; E399-T403 PolarHBondContact O-N 2.69Å; E399-T403 PolarHBondContact O-OG1 2.91Å
400G94.2Very high87.4Confident0 Ų035.5 Ų35.50%019%0.193CC..Hα-helixtrans-63.2-44.917200000111.8D372 L375 T397 R402 T403 L404D372-G400 VanDerWaalsContact CG-N 3.3Å; D372-G400 VanDerWaalsContact OD1-CA 3.29Å; D372-G400 WeakPolarHBondContact OD1-CA 3.35Å; D372-G400 PolarHBondContact OD1-N 3.24Å; D372-G400 PolarHBondContact OD2-N 3.13Å; L375-G400 VanDerWaalsContact CD1-C 3.41Å; L375-G400 WeakPolarHBondContact CD1-O 3.35Å; T397-G400 PolarHBondContact O-N 3.36Å; T397-G400 VanDerWaalsContact O-N 3.17Å; G400-R402 VanDerWaalsContact C-N 3.33Å; G400-R402 PolarHBondContact O-N 3.45Å; G400-T403 PolarHBondContact O-N 2.99Å; G400-L404 WeakPolarHBondContact O-CB 3.41Å; G400-L404 PolarHBondContact O-N 2.89Å
401I94.7Very high86.7Confident0 Ų039.6 Ų39.60%021%0.214CC..Hα-helixtrans-63.3-39.4175.3-60.1-57.2000111.4L375 L390 I396 T397 T403 L404 A405 L419 I425 A429 L433L375-I401 HydrophobicContact CD1-CD1 4.03Å; L390-I401 HydrophobicContact CD1-CD1 3.96Å; I396-I401 HydrophobicContact CG2-CD1 3.98Å; I396-I401 HydrophobicContact CG2-CG1 4.21Å; T397-I401 PolarHBondContact O-N 2.94Å; I401-T403 PolarHBondContact O-N 3.24Å; I401-L404 PolarHBondContact O-N 3.21Å; I401-A405 VanDerWaalsContact O-CB 3.24Å; I401-A405 WeakPolarHBondContact O-CB 3.46Å; I401-A405 PolarHBondContact O-N 3.01Å; I401-L419 HydrophobicContact CD1-CD1 4.15Å; I401-L419 HydrophobicContact CD1-CD2 3.69Å; I401-L419 HydrophobicContact CG1-CD1 4.5Å; I401-I425 HydrophobicContact CD1-CD1 4.41Å; I401-I425 HydrophobicContact CG1-CD1 3.51Å; I401-A429 HydrophobicContact CB-CB 4.12Å; I401-A429 HydrophobicContact CG1-CB 4.31Å; I401-A429 HydrophobicContact CG2-CB 3.99Å; I401-L433 HydrophobicContact CG2-CD1 4.21Å; I401-L433 HydrophobicContact CG2-CD2 3.72Å; I401-L433 HydrophobicContact CG2-CG 3.74Å
402R94.5Very high86.4Confident90 Ų9043.3 Ų43.334%0.3423%0.234SC..Hα-helixtrans-60.5-45.1174.4-172.3-171.970.574.2-0.1111.7D398 E399 G400 A405 L406D398-R402 VanDerWaalsContact O-CB 3.32Å; D398-R402 WeakPolarHBondContact O-CB 3.48Å; D398-R402 PolarHBondContact O-N 3.45Å; E399-R402 VanDerWaalsContact CD-NH2 3.33Å; E399-R402 PolarHBondContact O-N 3.31Å; E399-R402 IonicContact OE1-CZ 3.28Å; E399-R402 IonicContact OE1-NE 3.32Å; E399-R402 IonicContact OE1-NH2 2.85Å; E399-R402 PolarHBondContact OE1-NH2 3.34Å; E399-R402 IonicContact OE2-CZ 3.49Å; E399-R402 IonicContact OE2-NE 3.59Å; E399-R402 PolarHBondContact OE2-NE 3.21Å; E399-R402 IonicContact OE2-NH2 2.62Å; E399-R402 PolarHBondContact OE2-NH2 3.27Å; G400-R402 VanDerWaalsContact C-N 3.33Å; G400-R402 PolarHBondContact O-N 3.45Å; R402-A405 PolarHBondContact O-N 3.06Å; R402-L406 HydrophobicContact CG-CD1 4.12Å; R402-L406 WeakPolarHBondContact O-CB 3.24Å; R402-L406 VanDerWaalsContact O-CG 3.3Å; R402-L406 WeakPolarHBondContact O-CG 3.34Å; R402-L406 PolarHBondContact O-N 3.19Å
403T92.8Very high86.4Confident43 Ų4344.3 Ų44.326%0.26424%0.241SC..Hα-helixtrans-60.9-46.4177.8-59.50000111.1A376 E399 G400 I401 S407A376-T403 HydrophobicContact CB-CG2 4.32Å; E399-T403 PolarHBondContact O-N 2.69Å; E399-T403 PolarHBondContact O-OG1 2.91Å; G400-T403 PolarHBondContact O-N 2.99Å; I401-T403 PolarHBondContact O-N 3.24Å; T403-S407 PolarHBondContact O-N 3.38Å
404L91.3Very high86.7Confident0 Ų044.4 Ų44.40%024%0.242CC..Hα-helixtrans-61.3-47.7176.7-177.2138.2000112.2L375 L388 G400 I401 L406 S407 L408 L414L375-L404 HydrophobicContact CB-CB 4.43Å; L375-L404 HydrophobicContact CB-CD1 4.41Å; L375-L404 HydrophobicContact CD1-CD1 4.48Å; L375-L404 HydrophobicContact CD2-CD1 3.87Å; L375-L404 HydrophobicContact CG-CD1 4.47Å; L388-L404 HydrophobicContact CD2-CD1 3.35Å; G400-L404 WeakPolarHBondContact O-CB 3.41Å; G400-L404 PolarHBondContact O-N 2.89Å; I401-L404 PolarHBondContact O-N 3.21Å; L404-L406 PolarHBondContact O-N 2.69Å; L404-S407 PolarHBondContact O-N 2.97Å; L404-L408 HydrophobicContact CD1-CD1 4.25Å; L404-L408 HydrophobicContact CD2-CD1 4.3Å; L404-L408 HydrophobicContact CG-CD1 3.94Å; L404-L408 WeakPolarHBondContact O-CB 3.21Å; L404-L408 PolarHBondContact O-N 3Å; L404-L414 HydrophobicContact CD2-CD2 3.64Å
405A90.3Very high87.1Confident0 Ų040.2 Ų40.20%022%0.224CC..Hα-helixtrans-64.4-39.7-178.100000112.5I401 R402 G409 S432 L433I401-A405 VanDerWaalsContact O-CB 3.24Å; I401-A405 WeakPolarHBondContact O-CB 3.46Å; I401-A405 PolarHBondContact O-N 3.01Å; R402-A405 PolarHBondContact O-N 3.06Å; A405-G409 WeakPolarHBondContact O-CA 3.05Å; A405-G409 PolarHBondContact O-N 3.41Å; A405-S432 WeakPolarHBondContact CB-O 3.03Å; A405-L433 HydrophobicContact CB-CD2 4.31Å
406L87.8Confident87.4Confident90 Ų9037.4 Ų37.447%0.47121%0.209SC..Hα-helixtrans-67.6-36.6178.8-73.8173.4000112.8R402 L404 A410 E435R402-L406 HydrophobicContact CG-CD1 4.12Å; R402-L406 WeakPolarHBondContact O-CB 3.24Å; R402-L406 VanDerWaalsContact O-CG 3.3Å; R402-L406 WeakPolarHBondContact O-CG 3.34Å; R402-L406 PolarHBondContact O-N 3.19Å; L404-L406 PolarHBondContact O-N 2.69Å; L406-A410 WeakPolarHBondContact O-CB 3.26Å; L406-E435 HydrophobicContact CD2-CG 4.3Å
407S84.8Confident87.6Confident43 Ų4337.4 Ų37.430%0.30121%0.209SC..Hα-helixtrans-80.1-58.4179.3-163.60000111.8S379 T403 L404 A410S379-S407 PolarHBondContact O-OG 3.48Å; T403-S407 PolarHBondContact O-N 3.38Å; L404-S407 PolarHBondContact O-N 2.97Å; S407-A410 WeakPolarHBondContact O-CB 3.32Å; S407-A410 PolarHBondContact O-N 3.25Å
408L77.5Confident87.6Confident0 Ų037.8 Ų37.80%021%0.208CC..Hα-helixtrans-76.8-28.4-173.8-61.4-176.2000112.4L385 L404 A410 L411 D412 L414L385-L408 HydrophobicContact CB-CD1 4.14Å; L385-L408 HydrophobicContact CD2-CD1 3.85Å; L404-L408 HydrophobicContact CD1-CD1 4.25Å; L404-L408 HydrophobicContact CD2-CD1 4.3Å; L404-L408 HydrophobicContact CG-CD1 3.94Å; L404-L408 WeakPolarHBondContact O-CB 3.21Å; L404-L408 PolarHBondContact O-N 3Å; L408-A410 VanDerWaalsContact C-N 3.28Å; L408-A410 PolarHBondContact O-N 3.08Å; L408-L411 HydrophobicContact CD2-CD1 4.23Å; L408-L411 PolarHBondContact O-N 2.76Å; L408-L411 VanDerWaalsContact O-N 3.11Å; L408-D412 PolarHBondContact O-N 2.98Å; L408-L414 HydrophobicContact CB-CB 4.41Å
409G67Low87.5Confident5 Ų536.3 Ų36.35%0.05220%0.201CC..Hα-helixtrans-66-32.5172.300000112.2A405 L411 D412A405-G409 WeakPolarHBondContact O-CA 3.05Å; A405-G409 PolarHBondContact O-N 3.41Å; G409-L411 PolarHBondContact O-N 2.99Å; G409-D412 PolarHBondContact O-N 3.01Å
410A61.7Low87.2Confident80 Ų8033.2 Ų33.266%0.66119%0.187SC*.Hα-helixtrans-68.1-22.517200000113L406 S407 L408L406-A410 WeakPolarHBondContact O-CB 3.26Å; S407-A410 WeakPolarHBondContact O-CB 3.32Å; S407-A410 PolarHBondContact O-N 3.25Å; L408-A410 VanDerWaalsContact C-N 3.28Å; L408-A410 PolarHBondContact O-N 3.08Å
411L74.4Confident87Confident85 Ų8535.9 Ų35.945%0.44520%0.201SC..Hα-helixtrans-90.4-9.1177.4-61.6177000113.4G383 L408 G409 N413G383-L411 VanDerWaalsContact CA-CD1 3.49Å; G383-L411 WeakPolarHBondContact O-CD1 3.47Å; L408-L411 HydrophobicContact CD2-CD1 4.23Å; L408-L411 PolarHBondContact O-N 2.76Å; L408-L411 VanDerWaalsContact O-N 3.11Å; G409-L411 PolarHBondContact O-N 2.99Å; L411-N413 PolarHBondContact O-N 2.95Å; L411-N413 VanDerWaalsContact O-N 3.15Å; L411-N413 PolarHBondContact O-OD1 3.27Å
412D81.9Confident86.7Confident80 Ų8035.9 Ų35.943%0.42820%0.201SC..THydrogen-bonded Turntrans52.331.9-178.8-77.3-31.3000114.2L408 G409 R437 A438L408-D412 PolarHBondContact O-N 2.98Å; G409-D412 PolarHBondContact O-N 3.01Å; D412-R437 WeakPolarHBondContact OD1-CB 3.43Å; D412-A438 VanDerWaalsContact C-CB 3.45Å; D412-A438 HydrophobicContact CB-CB 4.31Å; D412-A438 WeakPolarHBondContact O-CB 3.08Å
413N85.3Confident86.5Confident64 Ų6433.7 Ų33.734%0.34220%0.199SC..  trans-101.8-38.8-177.4-75.4-26.9000114.1G383 L385 L411 T415G383-N413 PolarHBondContact O-ND2 2.93Å; L385-N413 CarbonylContact O-C 3.37Å; L411-N413 PolarHBondContact O-N 2.95Å; L411-N413 VanDerWaalsContact O-N 3.15Å; L411-N413 PolarHBondContact O-OD1 3.27Å; N413-T415 WeakPolarHBondContact O-CG2 3.5Å; N413-T415 PolarHBondContact O-N 3.3Å
414L91.1Very high86.5Confident2 Ų235.1 Ų35.11%0.0120%0.204CC..  trans-68.9116.1-174.3-171.672.2000111.3L385 L388 L404 L408 L417 A438 L439L385-L414 HydrophobicContact CD2-CD1 4.47Å; L385-L414 WeakPolarHBondContact O-CA 3.4Å; L385-L414 PolarHBondContact O-N 2.86Å; L388-L414 HydrophobicContact CB-CD1 4.13Å; L404-L414 HydrophobicContact CD2-CD2 3.64Å; L408-L414 HydrophobicContact CB-CB 4.41Å; L414-L417 HydrophobicContact CD2-CB 4.42Å; L414-A438 CarbonylContact O-C 3.57Å; L414-L439 HydrophobicContact CG-CD1 4.44Å; L414-L439 WeakPolarHBondContact O-CA 3.46Å; L414-L439 PolarHBondContact O-N 3.32Å
415T94.1Very high86.6Confident24 Ų2435.1 Ų35.115%0.14720%0.204CC..  trans-111-26.9-17869.50000114.1I386 N413 K440 R441I386-T415 HydrophobicContact CG2-CG2 4.07Å; I386-T415 VanDerWaalsContact CG2-OG1 3.23Å; I386-T415 WeakPolarHBondContact CG2-OG1 3.35Å; I386-T415 PolarHBondContact O-N 3.5Å; I386-T415 PolarHBondContact O-OG1 3.19Å; N413-T415 WeakPolarHBondContact O-CG2 3.5Å; N413-T415 PolarHBondContact O-N 3.3Å; T415-K440 WeakPolarHBondContact O-CA 3.4Å; T415-K440 PolarHBondContact O-N 3.49Å; T415-R441 PolarHBondContact O-N 3.4Å
416V95.1Very high86.9Confident14 Ų1436.7 Ų36.79%0.08521%0.214CC..EExtended strand (participates in β ladder)trans-129.5129.4178.4-176.80000108.9I386 E387 L388 E418 R441I386-V416 PolarHBondContact O-N 2.93Å; E387-V416 WeakPolarHBondContact CA-O 3.48Å; E387-V416 HydrophobicContact CB-CB 4.04Å; E387-V416 HydrophobicContact CG-CB 3.92Å; E387-V416 HydrophobicContact CG-CG2 3.97Å; L388-V416 PolarHBondContact N-O 3.2Å; V416-E418 HydrophobicContact CG1-CG 4.22Å; V416-R441 WeakPolarHBondContact CA-O 3.37Å; V416-R441 HydrophobicContact CG1-CB 4.23Å; V416-R441 HydrophobicContact CG2-CB 4.18Å
417L94.8Very high87.3Confident0 Ų033.6 Ų33.60%020%0.198CC..EExtended strand (participates in β ladder)trans-132.6122172-177.964.4000109L388 L390 L414 L419 L433 L439 R441 L442 E443L388-L417 HydrophobicContact CB-CD1 4.09Å; L388-L417 HydrophobicContact CD2-CD1 4.15Å; L388-L417 HydrophobicContact CG-CD1 4.26Å; L388-L417 WeakPolarHBondContact O-CA 3.35Å; L390-L417 HydrophobicContact CD1-CD1 4.31Å; L414-L417 HydrophobicContact CD2-CB 4.42Å; L417-L419 HydrophobicContact CD1-CD2 4.02Å; L417-L419 HydrophobicContact CD2-CD1 4.04Å; L417-L419 HydrophobicContact CD2-CD2 4.24Å; L417-L419 HydrophobicContact CD2-CG 4.19Å; L417-L419 HydrophobicContact CG-CD1 4.37Å; L417-L419 HydrophobicContact CG-CD2 3.99Å; L417-L419 HydrophobicContact CG-CG 3.97Å; L417-L433 HydrophobicContact CD2-CD1 4.02Å; L417-L433 HydrophobicContact CD2-CD2 3.53Å; L417-L433 HydrophobicContact CD2-CG 4.44Å; L417-L439 HydrophobicContact CB-CD1 4.04Å; L417-R441 PolarHBondContact N-O 2.9Å; L417-R441 VanDerWaalsContact N-O 3.1Å; L417-L442 HydrophobicContact CB-CD1 4.12Å; L417-L442 HydrophobicContact CD2-CD1 4.18Å; L417-L442 HydrophobicContact CG-CD1 4.23Å; L417-L442 VanDerWaalsContact O-CA 3.3Å; L417-L442 WeakPolarHBondContact O-CA 3.46Å; L417-L442 WeakPolarHBondContact O-CD1 3.31Å; L417-E443 PolarHBondContact O-N 3.24Å
418E94.8Very high87.8Confident50 Ų5036.6 Ų36.623%0.23421%0.207CC..EExtended strand (participates in β ladder)trans-109.9123.2177.2-57.4171-179.900108.4L388 S389 L390 S391 V416 E443L388-E418 PolarHBondContact O-N 2.73Å; S389-E418 VanDerWaalsContact CB-OE2 3.29Å; S389-E418 WeakPolarHBondContact CB-OE2 3.46Å; S389-E418 WeakPolarHBondContact OG-CB 3.5Å; S389-E418 PolarHBondContact OG-OE2 3.19Å; L390-E418 PolarHBondContact N-O 3.31Å; S391-E418 PolarHBondContact N-O 3.31Å; V416-E418 HydrophobicContact CG1-CG 4.22Å; E418-E443 HydrophobicContact CB-CB 4.22Å; E418-E443 HydrophobicContact CG-CB 4.11Å; E418-E443 HydrophobicContact CG-CG 3.95Å
419L93.3Very high88.7Confident0 Ų036.6 Ų36.60%021%0.207CC..  trans-126.829.4-177.1-58.8178.3000110.3L390 I401 L417 N421 C422 I425 L433 L442 E443 L444 C447L390-L419 HydrophobicContact CB-CD2 3.92Å; L390-L419 HydrophobicContact CD1-CD2 3.78Å; L390-L419 HydrophobicContact CG-CD2 4.26Å; I401-L419 HydrophobicContact CD1-CD1 4.15Å; I401-L419 HydrophobicContact CD1-CD2 3.69Å; I401-L419 HydrophobicContact CG1-CD1 4.5Å; L417-L419 HydrophobicContact CD1-CD2 4.02Å; L417-L419 HydrophobicContact CD2-CD1 4.04Å; L417-L419 HydrophobicContact CD2-CD2 4.24Å; L417-L419 HydrophobicContact CD2-CG 4.19Å; L417-L419 HydrophobicContact CG-CD1 4.37Å; L417-L419 HydrophobicContact CG-CD2 3.99Å; L417-L419 HydrophobicContact CG-CG 3.97Å; L419-N421 PolarHBondContact O-N 2.88Å; L419-C422 WeakPolarHBondContact O-CB 3.5Å; L419-C422 PolarHBondContact O-N 3.39Å; L419-C422 PolarHBondContact O-SG 2.9Å; L419-C422 VanDerWaalsContact O-SG 3.39Å; L419-I425 HydrophobicContact CD1-CG2 4.5Å; L419-L433 HydrophobicContact CD1-CD1 4.49Å; L419-L442 HydrophobicContact CD1-CD1 4.2Å; L419-L442 HydrophobicContact CG-CD1 4.47Å; L419-E443 PolarHBondContact N-O 3.26Å; L419-L444 HydrophobicContact CB-CD2 4.04Å; L419-L444 HydrophobicContact CD1-CD2 4.07Å; L419-C447 PolarHBondContact O-SG 3.4Å
420D91.1Very high90Very high27 Ų2736.4 Ų36.414%0.14421%0.205CC..THydrogen-bonded Turntrans-61.8139.9-174-64-27.2000110.5S391 H392 C422 E443 L444 Y445S391-D420 CarbonylContact C-O 3.53Å; S391-D420 WeakPolarHBondContact CA-O 3.35Å; S391-D420 WeakPolarHBondContact OG-CB 3.36Å; S391-D420 PolarHBondContact OG-N 3.34Å; H392-D420 PolarHBondContact N-O 3.31Å; D420-C422 VanDerWaalsContact C-N 3.26Å; D420-C422 PolarHBondContact O-N 2.86Å; D420-E443 WeakPolarHBondContact OD1-CB 3.43Å; D420-L444 PolarHBondContact OD1-N 2.79Å; D420-L444 VanDerWaalsContact OD1-N 3.15Å; D420-Y445 CarbonylContact C-O 3.43Å; D420-Y445 WeakPolarHBondContact CA-O 3.08Å; D420-Y445 WeakPolarHBondContact OD1-CB 3.34Å; D420-Y445 VanDerWaalsContact OD1-CD2 3.3Å; D420-Y445 WeakPolarHBondContact OD1-CD2 3.5Å; D420-Y445 PolarHBondContact OD1-N 3.23Å
421N88.3Confident91.5Very high57 Ų5734.5 Ų34.531%0.30518%0.184SC..THydrogen-bonded Turntrans56.337.2177.8-151.8-18000113.8H392 L419 P423 Y445H392-N421 PolarHBondContact CE1-ND2 3.46Å; H392-N421 VanDerWaalsContact CE1-ND2 3.27Å; H392-N421 PolarHBondContact ND1-ND2 2.85Å; L419-N421 PolarHBondContact O-N 2.88Å; N421-P423 WeakPolarHBondContact O-CD 3.01Å; N421-Y445 PolarHBondContact N-O 3.18Å
422C90.2Very high92.4Very high0 Ų031.1 Ų31.10%017%0.167CC..  trans-96.196.5171.4-70.20000110.7L390 L419 D420 L424 I425L390-C422 PolarHBondContact O-SG 3.21Å; L419-C422 WeakPolarHBondContact O-CB 3.5Å; L419-C422 PolarHBondContact O-N 3.39Å; L419-C422 PolarHBondContact O-SG 2.9Å; L419-C422 VanDerWaalsContact O-SG 3.39Å; D420-C422 VanDerWaalsContact C-N 3.26Å; D420-C422 PolarHBondContact O-N 2.86Å; C422-L424 VanDerWaalsContact C-N 3.33Å; C422-L424 PolarHBondContact O-N 3.42Å; C422-I425 HydrophobicContact CB-CB 4.18Å; C422-I425 HydrophobicContact CB-CG1 3.64Å; C422-I425 PolarHBondContact O-N 2.96Å
423P89.1Confident92.9Very high44 Ų4427.3 Ų27.329%0.28615%0.147SC..THydrogen-bonded Turntrans-70.5-21.6-169.728.4-37.2000114.9E394 N421 Q449E394-P423 HydrophobicContact CB-CG 4.27Å; E394-P423 HydrophobicContact CG-CG 4.4Å; N421-P423 WeakPolarHBondContact O-CD 3.01Å; P423-Q449 PolarHBondContact O-NE2 3.48Å
424L92.3Very high93.1Very high72 Ų7231 Ų3138%0.37716%0.156SC..THydrogen-bonded Turntrans-93.1-2.5-179-60.6-178.6000113.4E394 I396 T397 C422E394-L424 VanDerWaalsContact O-CD1 3.23Å; E394-L424 WeakPolarHBondContact O-CD1 3.3Å; E394-L424 WeakPolarHBondContact O-CG 3.45Å; I396-L424 WeakPolarHBondContact O-CB 3.15Å; T397-L424 HydrophobicContact CG2-CB 4.28Å; T397-L424 HydrophobicContact CG2-CD1 3.96Å; C422-L424 VanDerWaalsContact C-N 3.33Å; C422-L424 PolarHBondContact O-N 3.42Å
425I94.6Very high92.9Very high0 Ų034.2 Ų34.20%017%0.171CC..  trans-84.5127.7176.8-65.5-57.3000110.3I396 T397 I401 L419 C422 A429 Q449 V450I396-I425 HydrophobicContact CG2-CD1 4.22Å; T397-I425 VanDerWaalsContact C-CD1 3.45Å; T397-I425 WeakPolarHBondContact O-CD1 3.35Å; I401-I425 HydrophobicContact CD1-CD1 4.41Å; I401-I425 HydrophobicContact CG1-CD1 3.51Å; L419-I425 HydrophobicContact CD1-CG2 4.5Å; C422-I425 HydrophobicContact CB-CB 4.18Å; C422-I425 HydrophobicContact CB-CG1 3.64Å; C422-I425 PolarHBondContact O-N 2.96Å; I425-A429 HydrophobicContact CD1-CB 4.26Å; I425-A429 HydrophobicContact CG2-CB 3.67Å; I425-Q449 WeakPolarHBondContact O-CB 3.24Å; I425-V450 HydrophobicContact CG2-CG2 3.99Å
426T95.8Very high92.7Very high33 Ų3333.5 Ų33.520%0.20217%0.166CC..BIsolated β-bridgetrans-118.7-175-179.281.80000111.7D398 Q428 A429 Q449D398-T426 PolarHBondContact OD1-N 3.25Å; D398-T426 PolarHBondContact OD1-OG1 2.82Å; D398-T426 WeakPolarHBondContact OD2-CB 3.47Å; D398-T426 WeakPolarHBondContact OD2-CG2 3.29Å; D398-T426 PolarHBondContact OD2-OG1 3.45Å; T426-Q428 PolarHBondContact O-N 2.81Å; T426-Q428 VanDerWaalsContact O-N 3.11Å; T426-Q428 WeakPolarHBondContact OG1-CB 3.43Å; T426-Q428 PolarHBondContact OG1-N 3.5Å; T426-Q428 VanDerWaalsContact OG1-N 3.12Å; T426-A429 PolarHBondContact O-N 2.86Å; T426-Q449 HydrophobicContact CG2-CB 3.91Å
427D96.3Very high92.4Very high26 Ų2642.2 Ų42.214%0.13920%0.198CC..Hα-helixtrans-55.1-23.6170.8-76.60.9000113.1L430 D431 S451 G454 R457D427-L430 WeakPolarHBondContact O-CB 3.37Å; D427-L430 PolarHBondContact O-N 3.15Å; D427-D431 PolarHBondContact O-N 2.55Å; D427-D431 VanDerWaalsContact O-N 3.17Å; D427-S451 PolarHBondContact OD1-N 3.05Å; D427-S451 PolarHBondContact OD1-OG 3.4Å; D427-S451 PolarHBondContact OD2-OG 3.24Å; D427-G454 VanDerWaalsContact CG-CA 3.43Å; D427-G454 WeakPolarHBondContact OD1-CA 3.35Å; D427-G454 VanDerWaalsContact OD2-CA 3.29Å; D427-G454 WeakPolarHBondContact OD2-CA 3.44Å; D427-G454 PolarHBondContact OD2-N 2.96Å; D427-R457 IonicContact OD2-NH2 3.47Å; D427-R457 PolarHBondContact OD2-NH2 2.95Å
428Q95.7Very high92.2Very high106 Ų10643.3 Ų43.350%0.49521%0.207SC..Hα-helixtrans-69.9-33.4-178.7-174.163.836.500112.9D398 T426 L430 D431 S432D398-Q428 HydrophobicContact CB-CB 4.18Å; D398-Q428 HydrophobicContact CB-CG 4.27Å; T426-Q428 PolarHBondContact O-N 2.81Å; T426-Q428 VanDerWaalsContact O-N 3.11Å; T426-Q428 WeakPolarHBondContact OG1-CB 3.43Å; T426-Q428 PolarHBondContact OG1-N 3.5Å; T426-Q428 VanDerWaalsContact OG1-N 3.12Å; Q428-L430 VanDerWaalsContact C-N 3.29Å; Q428-L430 PolarHBondContact O-N 3.4Å; Q428-D431 PolarHBondContact O-N 3.29Å; Q428-S432 PolarHBondContact O-N 2.59Å; Q428-S432 VanDerWaalsContact O-N 3.15Å; Q428-S432 PolarHBondContact O-OG 3.49Å; Q428-S432 VanDerWaalsContact O-OG 3.1Å
429A95.3Very high92.2Very high0 Ų041.3 Ų41.30%020%0.198CC..Hα-helixtrans-59.5-41.7170.200000111.4D398 I401 I425 T426 D431 S432 L433D398-A429 HydrophobicContact CB-CB 4.42Å; D398-A429 WeakPolarHBondContact OD1-CB 3.41Å; D398-A429 PolarHBondContact OD1-N 3.23Å; D398-A429 VanDerWaalsContact OD1-N 3.14Å; I401-A429 HydrophobicContact CB-CB 4.12Å; I401-A429 HydrophobicContact CG1-CB 4.31Å; I401-A429 HydrophobicContact CG2-CB 3.99Å; I425-A429 HydrophobicContact CD1-CB 4.26Å; I425-A429 HydrophobicContact CG2-CB 3.67Å; T426-A429 PolarHBondContact O-N 2.86Å; A429-D431 VanDerWaalsContact C-N 3.33Å; A429-D431 PolarHBondContact O-N 3.18Å; A429-S432 WeakPolarHBondContact O-CA 3.36Å; A429-S432 WeakPolarHBondContact O-CB 3.36Å; A429-S432 PolarHBondContact O-N 3.21Å; A429-L433 WeakPolarHBondContact O-CG 3.34Å; A429-L433 PolarHBondContact O-N 3.3Å
430L95.4Very high92.3Very high1 Ų147.9 Ų47.91%0.00523%0.226CC..Hα-helixtrans-63.9-40177.7-56.3-176.4000111.8D427 Q428 S432 L433 L442 L444 V450 I455 F458D427-L430 WeakPolarHBondContact O-CB 3.37Å; D427-L430 PolarHBondContact O-N 3.15Å; Q428-L430 VanDerWaalsContact C-N 3.29Å; Q428-L430 PolarHBondContact O-N 3.4Å; L430-S432 PolarHBondContact O-N 2.97Å; L430-L433 HydrophobicContact CD2-CD1 4.31Å; L430-L433 PolarHBondContact O-N 3.21Å; L430-L442 HydrophobicContact CD2-CD2 3.77Å; L430-L444 HydrophobicContact CD2-CD1 3.77Å; L430-L444 HydrophobicContact CD2-CD2 4.44Å; L430-V450 HydrophobicContact CD1-CG1 3.78Å; L430-I455 HydrophobicContact CD1-CG1 3.87Å; L430-F458 HydrophobicContact CB-CB 4.13Å; L430-F458 HydrophobicContact CB-CD2 4.38Å; L430-F458 HydrophobicContact CB-CG 4.37Å; L430-F458 HydrophobicContact CD1-CB 4.49Å; L430-F458 VanDerWaalsContact O-CD2 3.27Å; L430-F458 WeakPolarHBondContact O-CD2 3.41Å
431D93.3Very high92.6Very high39 Ų3951.6 Ų51.621%0.20924%0.239CC..Hα-helixtrans-62.7-26.9174.9-75.2-29.6000111.7D427 Q428 A429 R434 R457D427-D431 PolarHBondContact O-N 2.55Å; D427-D431 VanDerWaalsContact O-N 3.17Å; Q428-D431 PolarHBondContact O-N 3.29Å; A429-D431 VanDerWaalsContact C-N 3.33Å; A429-D431 PolarHBondContact O-N 3.18Å; D431-R434 WeakPolarHBondContact O-CD 3.17Å; D431-R434 WeakPolarHBondContact O-CG 3.17Å; D431-R434 PolarHBondContact O-NE 2.97Å; D431-R457 IonicContact OD1-NH1 3.99Å; D431-R457 IonicContact OD2-CZ 3.37Å; D431-R457 IonicContact OD2-NH1 2.75Å; D431-R457 PolarHBondContact OD2-NH1 3.48Å; D431-R457 VanDerWaalsContact OD2-NH1 3.09Å
432S92.8Very high93Very high14 Ų1448.9 Ų48.910%0.09822%0.224CC..Hα-helixtrans-82.5-36.7175.2-53.70000113A405 Q428 A429 L430 R434 E435A405-S432 WeakPolarHBondContact CB-O 3.03Å; Q428-S432 PolarHBondContact O-N 2.59Å; Q428-S432 VanDerWaalsContact O-N 3.15Å; Q428-S432 PolarHBondContact O-OG 3.49Å; Q428-S432 VanDerWaalsContact O-OG 3.1Å; A429-S432 WeakPolarHBondContact O-CA 3.36Å; A429-S432 WeakPolarHBondContact O-CB 3.36Å; A429-S432 PolarHBondContact O-N 3.21Å; L430-S432 PolarHBondContact O-N 2.97Å; S432-R434 PolarHBondContact O-N 3.16Å; S432-R434 VanDerWaalsContact O-N 3.09Å; S432-E435 PolarHBondContact O-N 3.38Å
433L93.2Very high93.3Very high1 Ų150.3 Ų50.31%0.00523%0.23CC..Hα-helixtrans-65.7-10.8179.9-74.1173.2000114.3I401 A405 L417 L419 A429 L430 E435 C436 L442 F458I401-L433 HydrophobicContact CG2-CD1 4.21Å; I401-L433 HydrophobicContact CG2-CD2 3.72Å; I401-L433 HydrophobicContact CG2-CG 3.74Å; A405-L433 HydrophobicContact CB-CD2 4.31Å; L417-L433 HydrophobicContact CD2-CD1 4.02Å; L417-L433 HydrophobicContact CD2-CD2 3.53Å; L417-L433 HydrophobicContact CD2-CG 4.44Å; L419-L433 HydrophobicContact CD1-CD1 4.49Å; A429-L433 WeakPolarHBondContact O-CG 3.34Å; A429-L433 PolarHBondContact O-N 3.3Å; L430-L433 HydrophobicContact CD2-CD1 4.31Å; L430-L433 PolarHBondContact O-N 3.21Å; L433-E435 PolarHBondContact O-N 3.08Å; L433-E435 VanDerWaalsContact O-N 3.15Å; L433-C436 WeakPolarHBondContact O-CB 3.26Å; L433-C436 PolarHBondContact O-N 3.37Å; L433-L442 HydrophobicContact CD1-CD1 3.96Å; L433-L442 HydrophobicContact CD1-CD2 3.88Å; L433-F458 HydrophobicContact CB-CE2 3.91Å; L433-F458 HydrophobicContact CB-CZ 4.45Å
434R88Confident93.5Very high142 Ų14248.4 Ų48.454%0.53622%0.218SC..THydrogen-bonded Turntrans-59-22.117375.5-174.6-176.8-159.4-4113.3D431 S432 C436 V461D431-R434 WeakPolarHBondContact O-CD 3.17Å; D431-R434 WeakPolarHBondContact O-CG 3.17Å; D431-R434 PolarHBondContact O-NE 2.97Å; S432-R434 PolarHBondContact O-N 3.16Å; S432-R434 VanDerWaalsContact O-N 3.09Å; R434-C436 VanDerWaalsContact C-N 3.29Å; R434-V461 HydrophobicContact CB-CG1 4.34Å
435E87.6Confident93.5Very high69 Ų6949.3 Ų49.332%0.32222%0.217SC..THydrogen-bonded Turntrans-75-20177.9-54.4-55.6144.900112L406 S432 L433 R437L406-E435 HydrophobicContact CD2-CG 4.3Å; S432-E435 PolarHBondContact O-N 3.38Å; L433-E435 PolarHBondContact O-N 3.08Å; L433-E435 VanDerWaalsContact O-N 3.15Å; E435-R437 PolarHBondContact O-N 2.86Å; E435-R437 VanDerWaalsContact O-N 3.09Å
436C90.1Very high93.1Very high8 Ų853.7 Ų53.75%0.05424%0.24CC..  trans-81.381.9177-61.30000111.5L433 R434 A438 L439L433-C436 WeakPolarHBondContact O-CB 3.26Å; L433-C436 PolarHBondContact O-N 3.37Å; R434-C436 VanDerWaalsContact C-N 3.29Å; C436-A438 VanDerWaalsContact C-N 3.28Å; C436-A438 PolarHBondContact O-N 3.05Å; C436-L439 HydrophobicContact CB-CB 4.03Å; C436-L439 VanDerWaalsContact O-CB 3.26Å; C436-L439 WeakPolarHBondContact O-CB 3.5Å; C436-L439 PolarHBondContact O-N 3.49Å; C436-L439 VanDerWaalsContact O-N 3.17Å
437R88.3Confident92.9Very high197 Ų19752.5 Ų52.574%0.74323%0.233SC*.THydrogen-bonded Turntrans-70.1-24.9-172.7-51173.8176.3178.70.2113.8D412 E435 L439D412-R437 WeakPolarHBondContact OD1-CB 3.43Å; E435-R437 PolarHBondContact O-N 2.86Å; E435-R437 VanDerWaalsContact O-N 3.09Å; R437-L439 VanDerWaalsContact C-N 3.31Å
438A91.8Very high92.5Very high23 Ų2359.4 Ų59.419%0.1927%0.265CS..THydrogen-bonded Turntrans-81.6-7.2176.800000114D412 L414 C436 K440D412-A438 VanDerWaalsContact C-CB 3.45Å; D412-A438 HydrophobicContact CB-CB 4.31Å; D412-A438 WeakPolarHBondContact O-CB 3.08Å; L414-A438 CarbonylContact O-C 3.57Å; C436-A438 VanDerWaalsContact C-N 3.28Å; C436-A438 PolarHBondContact O-N 3.05Å; A438-K440 PolarHBondContact O-N 2.94Å
439L94Very high92.3Very high8 Ų859.5 Ų59.54%0.04227%0.265CS..  trans-60.4132.8-177.8-163.569.5000110.2L414 L417 C436 R437 L442 F458 V465L414-L439 HydrophobicContact CG-CD1 4.44Å; L414-L439 WeakPolarHBondContact O-CA 3.46Å; L414-L439 PolarHBondContact O-N 3.32Å; L417-L439 HydrophobicContact CB-CD1 4.04Å; C436-L439 HydrophobicContact CB-CB 4.03Å; C436-L439 VanDerWaalsContact O-CB 3.26Å; C436-L439 WeakPolarHBondContact O-CB 3.5Å; C436-L439 PolarHBondContact O-N 3.49Å; C436-L439 VanDerWaalsContact O-N 3.17Å; R437-L439 VanDerWaalsContact C-N 3.31Å; L439-L442 HydrophobicContact CD2-CB 4.34Å; L439-F458 HydrophobicContact CD2-CZ 4.2Å; L439-V465 HydrophobicContact CB-CG2 4.39Å; L439-V465 HydrophobicContact CD2-CG1 4.22Å; L439-V465 HydrophobicContact CG-CG1 4.3Å; L439-V465 WeakPolarHBondContact O-CG2 3.47Å
440K95.6Very high92.3Very high138 Ų13859.8 Ų59.860%0.627%0.267SS*.  trans-121.9-32.1-179.2-67.6176-171.1166.30112.2T415 A438 M466T415-K440 WeakPolarHBondContact O-CA 3.4Å; T415-K440 PolarHBondContact O-N 3.49Å; A438-K440 PolarHBondContact O-N 2.94Å; K440-M466 WeakPolarHBondContact O-CB 3.44Å; K440-M466 PolarHBondContact O-N 3.39Å
441R96.8Very high92.2Very high106 Ų10662 Ų6240%0.428%0.282SS..EExtended strand (participates in β ladder)trans-134.3135.6179.5-171.4-178.8-59.9164.95.3110.4T415 V416 L417 E443 M466T415-R441 PolarHBondContact O-N 3.4Å; V416-R441 WeakPolarHBondContact CA-O 3.37Å; V416-R441 HydrophobicContact CG1-CB 4.23Å; V416-R441 HydrophobicContact CG2-CB 4.18Å; L417-R441 PolarHBondContact N-O 2.9Å; L417-R441 VanDerWaalsContact N-O 3.1Å; R441-E443 WeakPolarHBondContact CD-OE1 2.82Å; R441-E443 HydrophobicContact CG-CG 4.21Å; R441-M466 WeakPolarHBondContact CA-O 3.41Å
442L96.6Very high92.2Very high0 Ų066.6 Ų66.60%030%0.297CS..EExtended strand (participates in β ladder)trans-134.3120.1174.7178.360.2000108.9L417 L419 L430 L433 L439 L444 F458 V465 M466 V467 H468L417-L442 HydrophobicContact CB-CD1 4.12Å; L417-L442 HydrophobicContact CD2-CD1 4.18Å; L417-L442 HydrophobicContact CG-CD1 4.23Å; L417-L442 VanDerWaalsContact O-CA 3.3Å; L417-L442 WeakPolarHBondContact O-CA 3.46Å; L417-L442 WeakPolarHBondContact O-CD1 3.31Å; L419-L442 HydrophobicContact CD1-CD1 4.2Å; L419-L442 HydrophobicContact CG-CD1 4.47Å; L430-L442 HydrophobicContact CD2-CD2 3.77Å; L433-L442 HydrophobicContact CD1-CD1 3.96Å; L433-L442 HydrophobicContact CD1-CD2 3.88Å; L439-L442 HydrophobicContact CD2-CB 4.34Å; L442-L444 HydrophobicContact CD1-CD2 4.4Å; L442-L444 HydrophobicContact CD1-CG 4.4Å; L442-L444 HydrophobicContact CD2-CD1 3.88Å; L442-L444 HydrophobicContact CD2-CG 4.37Å; L442-L444 HydrophobicContact CG-CD1 3.99Å; L442-L444 HydrophobicContact CG-CD2 4.46Å; L442-L444 HydrophobicContact CG-CG 3.99Å; L442-F458 HydrophobicContact CD2-CE1 4Å; L442-F458 HydrophobicContact CD2-CZ 4.31Å; L442-V465 HydrophobicContact CB-CG1 4.09Å; L442-M466 PolarHBondContact N-O 2.76Å; L442-V467 HydrophobicContact CB-CG2 4.44Å; L442-V467 CarbonylContact O-C 3.49Å; L442-V467 VanDerWaalsContact O-CA 3.32Å; L442-V467 WeakPolarHBondContact O-CA 3.34Å; L442-H468 PolarHBondContact O-N 3.33Å
443E96.1Very high92.3Very high29 Ų2967.6 Ų67.614%0.13631%0.31CS..EExtended strand (participates in β ladder)trans-105.5130177.8-49.2-156154.300110.2L417 E418 L419 D420 R441 Y445 H468L417-E443 PolarHBondContact O-N 3.24Å; E418-E443 HydrophobicContact CB-CB 4.22Å; E418-E443 HydrophobicContact CG-CB 4.11Å; E418-E443 HydrophobicContact CG-CG 3.95Å; L419-E443 PolarHBondContact N-O 3.26Å; D420-E443 WeakPolarHBondContact OD1-CB 3.43Å; R441-E443 WeakPolarHBondContact CD-OE1 2.82Å; R441-E443 HydrophobicContact CG-CG 4.21Å; E443-Y445 HydrophobicContact CB-CD2 4.38Å; E443-H468 HydrophobicContact CB-CB 4.49Å; E443-H468 HydrophobicContact CG-CB 4.21Å; E443-H468 IonicContact OE1-CE1 3.34Å; E443-H468 IonicContact OE1-ND1 2.85Å; E443-H468 PolarHBondContact OE1-ND1 2.85Å
444L94.2Very high92.3Very high5 Ų567.6 Ų67.63%0.02631%0.309CS..  trans-141.833.5-171.9-63.8164.7000110.4L419 D420 L430 L442 D446 C447 V450 I455 V467 H468 A469L419-L444 HydrophobicContact CB-CD2 4.04Å; L419-L444 HydrophobicContact CD1-CD2 4.07Å; D420-L444 PolarHBondContact OD1-N 2.79Å; D420-L444 VanDerWaalsContact OD1-N 3.15Å; L430-L444 HydrophobicContact CD2-CD1 3.77Å; L430-L444 HydrophobicContact CD2-CD2 4.44Å; L442-L444 HydrophobicContact CD1-CD2 4.4Å; L442-L444 HydrophobicContact CD1-CG 4.4Å; L442-L444 HydrophobicContact CD2-CD1 3.88Å; L442-L444 HydrophobicContact CD2-CG 4.37Å; L442-L444 HydrophobicContact CG-CD1 3.99Å; L442-L444 HydrophobicContact CG-CD2 4.46Å; L442-L444 HydrophobicContact CG-CG 3.99Å; L444-D446 PolarHBondContact O-N 3.08Å; L444-C447 HydrophobicContact CB-CB 4.44Å; L444-V450 HydrophobicContact CD1-CG1 4.36Å; L444-I455 HydrophobicContact CD1-CD1 4.36Å; L444-I455 HydrophobicContact CD1-CG1 4.33Å; L444-V467 HydrophobicContact CD1-CG1 3.8Å; L444-H468 PolarHBondContact N-O 3.44Å; L444-A469 HydrophobicContact CB-CB 4.19Å
445Y91.6Very high92.6Very high91 Ų9161.7 Ų61.736%0.35729%0.289SS..THydrogen-bonded Turntrans-60.6133.5174.4-66.5-76.8000109.5D420 N421 E443 C447 H468D420-Y445 CarbonylContact C-O 3.43Å; D420-Y445 WeakPolarHBondContact CA-O 3.08Å; D420-Y445 WeakPolarHBondContact OD1-CB 3.34Å; D420-Y445 VanDerWaalsContact OD1-CD2 3.3Å; D420-Y445 WeakPolarHBondContact OD1-CD2 3.5Å; D420-Y445 PolarHBondContact OD1-N 3.23Å; N421-Y445 PolarHBondContact N-O 3.18Å; E443-Y445 HydrophobicContact CB-CD2 4.38Å; Y445-C447 PolarHBondContact O-N 2.9Å; Y445-C447 VanDerWaalsContact O-N 3.07Å; Y445-H468 HydrophobicContact CE2-CB 3.64Å
446D87.8Confident92.9Very high91 Ų9166.9 Ų66.949%0.48731%0.305SS..THydrogen-bonded Turntrans57.220178.7-62.1-25.8000116.9L444 Q448L444-D446 PolarHBondContact O-N 3.08Å; D446-Q448 PolarHBondContact O-N 2.95Å
447C89.9Confident93.1Very high8 Ų871.5 Ų71.55%0.05432%0.321CS..  trans-74.387.6167.7-66.20000111.5L419 L444 Y445 Q449 V450L419-C447 PolarHBondContact O-SG 3.4Å; L444-C447 HydrophobicContact CB-CB 4.44Å; Y445-C447 PolarHBondContact O-N 2.9Å; Y445-C447 VanDerWaalsContact O-N 3.07Å; C447-Q449 VanDerWaalsContact C-N 3.26Å; C447-Q449 PolarHBondContact O-N 2.82Å; C447-Q449 VanDerWaalsContact O-N 3.15Å; C447-V450 HydrophobicContact CB-CB 3.99Å; C447-V450 HydrophobicContact CB-CG2 3.74Å; C447-V450 PolarHBondContact O-N 3.09Å; C447-V450 VanDerWaalsContact O-N 3.08Å
448Q88Confident93.5Very high172 Ų17262.4 Ų62.480%0.80429%0.287SS*.THydrogen-bonded Turntrans-61.6-27.4-168.6-61-175.65.600115.1D446D446-Q448 PolarHBondContact O-N 2.95Å
449Q93Very high93.6Very high108 Ų10865.4 Ų65.451%0.50530%0.296SS..BIsolated β-bridgetrans-93.5-5.4-179.6-54.1-167.339.600113.4P423 I425 T426 C447P423-Q449 PolarHBondContact O-NE2 3.48Å; I425-Q449 WeakPolarHBondContact O-CB 3.24Å; T426-Q449 HydrophobicContact CG2-CB 3.91Å; C447-Q449 VanDerWaalsContact C-N 3.26Å; C447-Q449 PolarHBondContact O-N 2.82Å; C447-Q449 VanDerWaalsContact O-N 3.15Å
450V94.5Very high93.6Very high6 Ų672.6 Ų72.64%0.03633%0.329CS..  trans-83.4124.5172.4175.50000109.2I425 L430 L444 C447 I455 F471I425-V450 HydrophobicContact CG2-CG2 3.99Å; L430-V450 HydrophobicContact CD1-CG1 3.78Å; L444-V450 HydrophobicContact CD1-CG1 4.36Å; C447-V450 HydrophobicContact CB-CB 3.99Å; C447-V450 HydrophobicContact CB-CG2 3.74Å; C447-V450 PolarHBondContact O-N 3.09Å; C447-V450 VanDerWaalsContact O-N 3.08Å; V450-I455 HydrophobicContact CG1-CD1 3.98Å; V450-I455 HydrophobicContact CG1-CG1 3.8Å; V450-F471 VanDerWaalsContact O-CE1 3.29Å; V450-F471 WeakPolarHBondContact O-CE1 3.33Å
451S94Very high93.4Very high46 Ų4671 Ų7132%0.32233%0.331SS..  trans-95155.5-177.587.10000112.1D427 G453 G454 I455D427-S451 PolarHBondContact OD1-N 3.05Å; D427-S451 PolarHBondContact OD1-OG 3.4Å; D427-S451 PolarHBondContact OD2-OG 3.24Å; S451-G453 PolarHBondContact O-N 3.07Å; S451-G453 VanDerWaalsContact O-N 3.16Å; S451-G453 PolarHBondContact OG-N 3.12Å; S451-G453 VanDerWaalsContact OG-N 3.14Å; S451-G454 PolarHBondContact O-N 3.21Å; S451-G454 PolarHBondContact OG-N 3.4Å; S451-I455 PolarHBondContact O-N 3.12Å; S451-I455 VanDerWaalsContact O-N 3.14Å
452R92.5Very high93.2Very high136 Ų13666.9 Ų66.951%0.51332%0.319SS..Hα-helixtrans-57.3-28.2167.3-68.6-178.6179.8170.40.3111.9R456 F471R452-R456 WeakPolarHBondContact O-CB 3.42Å; R452-R456 WeakPolarHBondContact O-CG 3.22Å; R452-R456 PolarHBondContact O-N 3.36Å; R452-R456 VanDerWaalsContact O-N 3.17Å; R452-F471 HydrophobicContact CG-CD1 3.88Å; R452-F471 HydrophobicContact CG-CD2 3.75Å; R452-F471 HydrophobicContact CG-CE1 3.87Å; R452-F471 HydrophobicContact CG-CE2 3.75Å; R452-F471 HydrophobicContact CG-CG 3.82Å; R452-F471 HydrophobicContact CG-CZ 3.81Å
453G93.8Very high93Very high36 Ų3671.2 Ų71.237%0.37135%0.348SS..Hα-helixtrans-69.3-46176.500000112.1S451 R456 R457S451-G453 PolarHBondContact O-N 3.07Å; S451-G453 VanDerWaalsContact O-N 3.16Å; S451-G453 PolarHBondContact OG-N 3.12Å; S451-G453 VanDerWaalsContact OG-N 3.14Å; G453-R456 PolarHBondContact O-N 3.33Å; G453-R457 WeakPolarHBondContact O-CG 3.39Å; G453-R457 PolarHBondContact O-N 3.06Å
454G93.6Very high92.8Very high0 Ų077.2 Ų77.20%038%0.381CS..Hα-helixtrans-58.4-49.9174.900000112.3D427 S451 R456 R457 F458D427-G454 VanDerWaalsContact CG-CA 3.43Å; D427-G454 WeakPolarHBondContact OD1-CA 3.35Å; D427-G454 VanDerWaalsContact OD2-CA 3.29Å; D427-G454 WeakPolarHBondContact OD2-CA 3.44Å; D427-G454 PolarHBondContact OD2-N 2.96Å; S451-G454 PolarHBondContact O-N 3.21Å; S451-G454 PolarHBondContact OG-N 3.4Å; G454-R456 VanDerWaalsContact C-N 3.29Å; G454-R456 PolarHBondContact O-N 3.03Å; G454-R457 PolarHBondContact O-N 2.75Å; G454-R457 VanDerWaalsContact O-N 3.13Å; G454-F458 PolarHBondContact O-N 3.49Å
455I94.9Very high92.8Very high19 Ų1977.4 Ų77.410%0.09738%0.382CS..Hα-helixtrans-60-39.8177.2-64.3172.5000111.6L430 L444 V450 S451 F458 K459 V467 A469 F471L430-I455 HydrophobicContact CD1-CG1 3.87Å; L444-I455 HydrophobicContact CD1-CD1 4.36Å; L444-I455 HydrophobicContact CD1-CG1 4.33Å; V450-I455 HydrophobicContact CG1-CD1 3.98Å; V450-I455 HydrophobicContact CG1-CG1 3.8Å; S451-I455 PolarHBondContact O-N 3.12Å; S451-I455 VanDerWaalsContact O-N 3.14Å; I455-F458 PolarHBondContact O-N 3.4Å; I455-K459 WeakPolarHBondContact O-CB 3.39Å; I455-K459 PolarHBondContact O-N 2.82Å; I455-V467 HydrophobicContact CD1-CG1 4.39Å; I455-V467 HydrophobicContact CG1-CG1 4.48Å; I455-V467 HydrophobicContact CG2-CB 4.31Å; I455-V467 HydrophobicContact CG2-CG1 3.95Å; I455-A469 HydrophobicContact CD1-CB 3.66Å; I455-F471 HydrophobicContact CD1-CE2 3.59Å; I455-F471 HydrophobicContact CD1-CZ 3.61Å
456R94.3Very high93Very high177 Ų17778 Ų7867%0.66839%0.39SS*.Hα-helixtrans-63.4-44.8175.8-78.1173.4-173.8-177.12111.7R452 G453 G454 K459 Q460R452-R456 WeakPolarHBondContact O-CB 3.42Å; R452-R456 WeakPolarHBondContact O-CG 3.22Å; R452-R456 PolarHBondContact O-N 3.36Å; R452-R456 VanDerWaalsContact O-N 3.17Å; G453-R456 PolarHBondContact O-N 3.33Å; G454-R456 VanDerWaalsContact C-N 3.29Å; G454-R456 PolarHBondContact O-N 3.03Å; R456-K459 PolarHBondContact O-N 3.32Å; R456-Q460 WeakPolarHBondContact O-CG 3.29Å; R456-Q460 PolarHBondContact O-N 3.33Å; R456-Q460 VanDerWaalsContact O-N 3.13Å
457R94.8Very high93.4Very high106 Ų10674.6 Ų74.640%0.437%0.372SS..Hα-helixtrans-60.8-47.6176.3-73.4-172.6-71.2141.1-6111D427 D431 G453 G454 K459 Q460D427-R457 IonicContact OD2-NH2 3.47Å; D427-R457 PolarHBondContact OD2-NH2 2.95Å; D431-R457 IonicContact OD1-NH1 3.99Å; D431-R457 IonicContact OD2-CZ 3.37Å; D431-R457 IonicContact OD2-NH1 2.75Å; D431-R457 PolarHBondContact OD2-NH1 3.48Å; D431-R457 VanDerWaalsContact OD2-NH1 3.09Å; G453-R457 WeakPolarHBondContact O-CG 3.39Å; G453-R457 PolarHBondContact O-N 3.06Å; G454-R457 PolarHBondContact O-N 2.75Å; G454-R457 VanDerWaalsContact O-N 3.13Å; R457-K459 PolarHBondContact O-N 3.02Å; R457-Q460 WeakPolarHBondContact O-CB 3.34Å; R457-Q460 PolarHBondContact O-N 2.83Å; R457-Q460 VanDerWaalsContact O-N 3.13Å
458F95Very high93.6Very high6 Ų676.6 Ų76.63%0.02638%0.38CS..Hα-helixtrans-57.1-48175.9177.4-106.5000112.1L430 L433 L439 L442 G454 I455 Q460 V461 A462 V465 V467L430-F458 HydrophobicContact CB-CB 4.13Å; L430-F458 HydrophobicContact CB-CD2 4.38Å; L430-F458 HydrophobicContact CB-CG 4.37Å; L430-F458 HydrophobicContact CD1-CB 4.49Å; L430-F458 VanDerWaalsContact O-CD2 3.27Å; L430-F458 WeakPolarHBondContact O-CD2 3.41Å; L433-F458 HydrophobicContact CB-CE2 3.91Å; L433-F458 HydrophobicContact CB-CZ 4.45Å; L439-F458 HydrophobicContact CD2-CZ 4.2Å; L442-F458 HydrophobicContact CD2-CE1 4Å; L442-F458 HydrophobicContact CD2-CZ 4.31Å; G454-F458 PolarHBondContact O-N 3.49Å; I455-F458 PolarHBondContact O-N 3.4Å; F458-Q460 PolarHBondContact O-N 2.85Å; F458-V461 PolarHBondContact O-N 3.48Å; F458-A462 HydrophobicContact CE1-CB 4.19Å; F458-A462 HydrophobicContact CE2-CB 4.13Å; F458-A462 HydrophobicContact CZ-CB 3.9Å; F458-A462 PolarHBondContact O-N 3.46Å; F458-V465 HydrophobicContact CE1-CB 4Å; F458-V465 HydrophobicContact CE1-CG1 3.9Å; F458-V465 HydrophobicContact CE1-CG2 4.26Å; F458-V465 HydrophobicContact CZ-CB 4.43Å; F458-V465 HydrophobicContact CZ-CG1 4.32Å; F458-V465 HydrophobicContact CZ-CG2 4.21Å; F458-V467 HydrophobicContact CD1-CG2 3.99Å; F458-V467 HydrophobicContact CE1-CG2 3.95Å
459K94.6Very high93.8Very high86 Ų8670.1 Ų70.137%0.37436%0.356SS..Hα-helixtrans-65-21.3177.8-79.2-162.9173.9-1750114.8I455 R456 R457 V461 A462 P463 V467I455-K459 WeakPolarHBondContact O-CB 3.39Å; I455-K459 PolarHBondContact O-N 2.82Å; R456-K459 PolarHBondContact O-N 3.32Å; R457-K459 PolarHBondContact O-N 3.02Å; K459-V461 VanDerWaalsContact C-N 3.29Å; K459-A462 CarbonylContact O-C 3.59Å; K459-P463 WeakPolarHBondContact O-CA 3.29Å; K459-V467 HydrophobicContact CG-CG2 4.23Å
460Q93.4Very high93.5Very high159 Ų15971.3 Ų71.374%0.74336%0.357SS*.Hα-helixtrans-67.9-33.8172.8-73.6170.8-9.600111.5R456 R457 F458R456-Q460 WeakPolarHBondContact O-CG 3.29Å; R456-Q460 PolarHBondContact O-N 3.33Å; R456-Q460 VanDerWaalsContact O-N 3.13Å; R457-Q460 WeakPolarHBondContact O-CB 3.34Å; R457-Q460 PolarHBondContact O-N 2.83Å; R457-Q460 VanDerWaalsContact O-N 3.13Å; F458-Q460 PolarHBondContact O-N 2.85Å
461V91.6Very high92.8Very high103 Ų10374.2 Ų74.262%0.62437%0.369SS*.Hα-helixtrans-90.4-34.5179.6-174.30000111.4R434 F458 K459 P463R434-V461 HydrophobicContact CB-CG1 4.34Å; F458-V461 PolarHBondContact O-N 3.48Å; K459-V461 VanDerWaalsContact C-N 3.29Å; V461-P463 VanDerWaalsContact C-CD 3.42Å; V461-P463 VanDerWaalsContact O-CD 3.3Å; V461-P463 WeakPolarHBondContact O-CD 3.39Å
462A92.3Very high91.9Very high20 Ų2075.3 Ų75.317%0.16538%0.381CS..  trans-121.665.9-178.100000111.7F458 K459 N464 V465F458-A462 HydrophobicContact CE1-CB 4.19Å; F458-A462 HydrophobicContact CE2-CB 4.13Å; F458-A462 HydrophobicContact CZ-CB 3.9Å; F458-A462 PolarHBondContact O-N 3.46Å; K459-A462 CarbonylContact O-C 3.59Å; A462-N464 PolarHBondContact O-N 3.43Å; A462-V465 HydrophobicContact CB-CB 4.42Å; A462-V465 HydrophobicContact CB-CG2 3.65Å; A462-V465 PolarHBondContact O-N 3.29Å
463P92.5Very high90.9Very high91 Ų9173.3 Ų73.359%0.59139%0.385SS*.THydrogen-bonded Turntrans-66.5-22.1-17126.6-36000114.3K459 V461K459-P463 WeakPolarHBondContact O-CA 3.29Å; V461-P463 VanDerWaalsContact C-CD 3.42Å; V461-P463 VanDerWaalsContact O-CD 3.3Å; V461-P463 WeakPolarHBondContact O-CD 3.39Å
464N92.9Very high89.7Confident155 Ų15576 Ų7683%0.82940%0.404SS*.THydrogen-bonded Turntrans-86.5-8.1-178.8-63.1-29.8000113.3A462 M466A462-N464 PolarHBondContact O-N 3.43Å; N464-M466 PolarHBondContact O-N 3Å
465V94.8Very high88.6Confident10 Ų1082.2 Ų82.26%0.06144%0.442CS..  trans-77.6123.1179.6-176.30000109.8L439 L442 F458 A462 V467L439-V465 HydrophobicContact CB-CG2 4.39Å; L439-V465 HydrophobicContact CD2-CG1 4.22Å; L439-V465 HydrophobicContact CG-CG1 4.3Å; L439-V465 WeakPolarHBondContact O-CG2 3.47Å; L442-V465 HydrophobicContact CB-CG1 4.09Å; F458-V465 HydrophobicContact CE1-CB 4Å; F458-V465 HydrophobicContact CE1-CG1 3.9Å; F458-V465 HydrophobicContact CE1-CG2 4.26Å; F458-V465 HydrophobicContact CZ-CB 4.43Å; F458-V465 HydrophobicContact CZ-CG1 4.32Å; F458-V465 HydrophobicContact CZ-CG2 4.21Å; A462-V465 HydrophobicContact CB-CB 4.42Å; A462-V465 HydrophobicContact CB-CG2 3.65Å; A462-V465 PolarHBondContact O-N 3.29Å; V465-V467 HydrophobicContact CG1-CG2 4.16Å; V465-V467 PolarHBondContact O-N 2.94Å; V465-V467 VanDerWaalsContact O-N 3.15Å
466M95.6Very high87.3Confident104 Ų10486.2 Ų86.251%0.51247%0.469SS..EExtended strand (participates in β ladder)trans-7798.1171.7-169.7178-61.600109.3K440 R441 L442 N464 H468K440-M466 WeakPolarHBondContact O-CB 3.44Å; K440-M466 PolarHBondContact O-N 3.39Å; R441-M466 WeakPolarHBondContact CA-O 3.41Å; L442-M466 PolarHBondContact N-O 2.76Å; N464-M466 PolarHBondContact O-N 3Å; M466-H468 WeakPolarHBondContact CG-NE2 3.36Å; M466-H468 PolarHBondContact SD-NE2 3.32Å
467V95.6Very high85.7Confident18 Ų1882.7 Ų82.711%0.10947%0.469CS..EExtended strand (participates in β ladder)trans-90.3119.1174.4-173.20000110.1L442 L444 I455 F458 K459 V465L442-V467 HydrophobicContact CB-CG2 4.44Å; L442-V467 CarbonylContact O-C 3.49Å; L442-V467 VanDerWaalsContact O-CA 3.32Å; L442-V467 WeakPolarHBondContact O-CA 3.34Å; L444-V467 HydrophobicContact CD1-CG1 3.8Å; I455-V467 HydrophobicContact CD1-CG1 4.39Å; I455-V467 HydrophobicContact CG1-CG1 4.48Å; I455-V467 HydrophobicContact CG2-CB 4.31Å; I455-V467 HydrophobicContact CG2-CG1 3.95Å; F458-V467 HydrophobicContact CD1-CG2 3.99Å; F458-V467 HydrophobicContact CE1-CG2 3.95Å; K459-V467 HydrophobicContact CG-CG2 4.23Å; V465-V467 HydrophobicContact CG1-CG2 4.16Å; V465-V467 PolarHBondContact O-N 2.94Å; V465-V467 VanDerWaalsContact O-N 3.15Å
468H94.2Very high84.2Confident51 Ų5182.7 Ų82.724%0.23648%0.481CS..EExtended strand (participates in β ladder)trans-99.6116.7171.4-66.9164.7000109.3L442 E443 L444 Y445 M466L442-H468 PolarHBondContact O-N 3.33Å; E443-H468 HydrophobicContact CB-CB 4.49Å; E443-H468 HydrophobicContact CG-CB 4.21Å; E443-H468 IonicContact OE1-CE1 3.34Å; E443-H468 IonicContact OE1-ND1 2.85Å; E443-H468 PolarHBondContact OE1-ND1 2.85Å; L444-H468 PolarHBondContact N-O 3.44Å; Y445-H468 HydrophobicContact CE2-CB 3.64Å; M466-H468 WeakPolarHBondContact CG-NE2 3.36Å; M466-H468 PolarHBondContact SD-NE2 3.32Å
469A91.4Very high82.4Confident35 Ų3589.4 Ų89.429%0.28951%0.512SS..  trans-148.6141.3177.600000109.4L444 I455 F471L444-A469 HydrophobicContact CB-CB 4.19Å; I455-A469 HydrophobicContact CD1-CB 3.66Å; A469-F471 HydrophobicContact CB-CD2 4.48Å; A469-F471 HydrophobicContact CB-CE2 3.84Å
470Y86.7Confident80.2Confident133 Ų13394.6 Ų94.652%0.52254%0.538SS..  trans-108.8125.7174.4-179.2-103.2000110.4A472Y470-A472 HydrophobicContact CE1-CB 4.09Å
471F80.4Confident77.8Confident68 Ų6897.8 Ų97.830%0.29854%0.543SS..  trans-118.7109.7170.9-67-87.1000107.7V450 R452 I455 A469V450-F471 VanDerWaalsContact O-CE1 3.29Å; V450-F471 WeakPolarHBondContact O-CE1 3.33Å; R452-F471 HydrophobicContact CG-CD1 3.88Å; R452-F471 HydrophobicContact CG-CD2 3.75Å; R452-F471 HydrophobicContact CG-CE1 3.87Å; R452-F471 HydrophobicContact CG-CE2 3.75Å; R452-F471 HydrophobicContact CG-CG 3.82Å; R452-F471 HydrophobicContact CG-CZ 3.81Å; I455-F471 HydrophobicContact CD1-CE2 3.59Å; I455-F471 HydrophobicContact CD1-CZ 3.61Å; A469-F471 HydrophobicContact CB-CD2 4.48Å; A469-F471 HydrophobicContact CB-CE2 3.84Å
472A74.5Confident75.7Confident68 Ų68104 Ų10456%0.56256%0.555SS**PPolyproline II helixtrans-48.2133.8174.700000109.9Y470 A474Y470-A472 HydrophobicContact CE1-CB 4.09Å; A472-A474 PolarHBondContact O-N 3.18Å
473P71.7Confident73.6Confident95 Ų95108.8 Ų108.862%0.61759%0.588SS**PPolyproline II helixtrans-57.3143.7172.8-12.922.9000109.2T475P473-T475 PolarHBondContact O-N 3.44Å; P473-T475 VanDerWaalsContact O-N 3.14Å
474A68.5Low71.5Confident93 Ų93112.8 Ų112.877%0.76960%0.599SS**PPolyproline II helixtrans-51.9126.7171.900000108.7A472 P476A472-A474 PolarHBondContact O-N 3.18Å; A474-P476 WeakPolarHBondContact O-CD 3.48Å; A474-P476 VanDerWaalsContact O-N 3.1Å
475T70.2Confident69.4Low129 Ų129116 Ų11679%0.79160%0.599SS**PPolyproline II helixtrans-56.3121.3173.8-46.90000107P473P473-T475 PolarHBondContact O-N 3.44Å; P473-T475 VanDerWaalsContact O-N 3.14Å
476P67.7Low67.2Low103 Ų103125.1 Ų125.167%0.66963%0.632SS**PPolyproline II helixtrans-53.5137.5-178.8-24.431.9000109.4A474 V478A474-P476 WeakPolarHBondContact O-CD 3.48Å; A474-P476 VanDerWaalsContact O-N 3.1Å; P476-V478 PolarHBondContact O-N 3.25Å
477P60.9Low65.1Low103 Ų103128.2 Ų128.267%0.66964%0.639SS**PPolyproline II helixtrans-53.8140.4179.320.6-30.6000109.1H479P477-H479 VanDerWaalsContact C-N 3.28Å; P477-H479 PolarHBondContact O-N 3.17Å
478V62.8Low62.7Low107 Ų107130.1 Ų130.165%0.64865%0.653SS**  trans-6196.6176.2178.80000107.2P476 Q480P476-V478 PolarHBondContact O-N 3.25Å; V478-Q480 PolarHBondContact O-N 3.19Å
479H57.4Low60.8Low146 Ų146139.7 Ų139.768%0.67669%0.687SS**  trans-58.6111168.3-78.8-60.2000106.4P477 R481P477-H479 VanDerWaalsContact C-N 3.28Å; P477-H479 PolarHBondContact O-N 3.17Å; H479-R481 PolarHBondContact O-N 3.48Å
480Q48.2Very low58.9Low196 Ų196143.2 Ų143.292%0.91671%0.708SS**  trans-64.474.2162-74.7-177.2-4.700107.5V478V478-Q480 PolarHBondContact O-N 3.19Å
481R44.4Very low56.9Low226 Ų226140.9 Ų140.985%0.85371%0.711SS**  trans-122.8124.4165.9-80.9-167.6168.3-174.2-1.9108.5H479H479-R481 PolarHBondContact O-N 3.48Å
482R47.3Very low55.3Low233 Ų233145 Ų14588%0.87973%0.734SS**  trans-36.7126.4-172.6-70.9172.2164.5175.4-6.1113.1Q484R482-Q484 PolarHBondContact O-N 2.9Å; R482-Q484 VanDerWaalsContact O-N 3.07Å
483S48.9Very low54.2Low121 Ų121147.5 Ų147.585%0.84674%0.737SS**  trans24.971.7152.965.20000116
484Q46.8Very low52.8Low175 Ų175153.7 Ų153.782%0.81876%0.763SS**  trans-119.8123.7155.4-79.5-171.5-22.900108.3R482 R486R482-Q484 PolarHBondContact O-N 2.9Å; R482-Q484 VanDerWaalsContact O-N 3.07Å; Q484-R486 PolarHBondContact O-N 3.49Å; Q484-R486 VanDerWaalsContact O-N 3.14Å
485R50.1Low52Low222 Ų222156.8 Ų156.884%0.83876%0.762SS**PPolyproline II helixtrans-53.3116.3-177.5-74179.2173.1179.2-2.5108.8Y487R485-Y487 PolarHBondContact O-N 3Å
486R48.5Very low51Low202 Ų202158.2 Ų158.276%0.76276%0.761SS**PPolyproline II helixtrans-76120.7179.2-67.2-178.9178.2-179.3-0.5108.6Q484Q484-R486 PolarHBondContact O-N 3.49Å; Q484-R486 VanDerWaalsContact O-N 3.14Å
487Y50.9Low50.1Low168 Ų168161.3 Ų161.366%0.65977%0.766SS**PPolyproline II helixtrans-99.1123.8162.2-62.5-76.7000107.9R485 I493R485-Y487 PolarHBondContact O-N 3Å; Y487-I493 HydrophobicContact CD1-CD1 3.67Å; Y487-I493 HydrophobicContact CE1-CD1 3.53Å
488C45.8Very low49.5Very low59 Ų59164.7 Ų164.740%0.39977%0.772SS.*PPolyproline II helixtrans-71.9130.1169.6117.30000107.8C490 C491C488-C490 WeakPolarHBondContact CB-SG 3.44Å; C488-C490 PolarHBondContact O-N 3.36Å; C488-C490 VanDerWaalsContact SG-CA 3.59Å; C488-C490 WeakPolarHBondContact SG-CB 3.38Å; C488-C490 PolarHBondContact SG-N 3.37Å; C488-C490 VanDerWaalsContact SG-N 3.41Å; C488-C490 CovalentContact SG-SG 2.06Å; C488-C490 PolarHBondContact SG-SG 3.09Å; C488-C491 PolarHBondContact O-N 3.1Å; C488-C491 PolarHBondContact SG-N 2.97Å; C488-C491 VanDerWaalsContact SG-N 3.43Å
489R54.7Low48.6Very low251 Ų251168.3 Ų168.395%0.94778%0.779SS**THydrogen-bonded Turntrans-59.8-13.7178.4-80.6-177.9173.8179.7-2.5113.8
490C51.5Low48.1Very low109 Ų109169.8 Ų169.874%0.73679%0.786SS**THydrogen-bonded Turntrans-80.6-20175.320.70000113.3C488 I492C488-C490 WeakPolarHBondContact CB-SG 3.44Å; C488-C490 PolarHBondContact O-N 3.36Å; C488-C490 VanDerWaalsContact SG-CA 3.59Å; C488-C490 WeakPolarHBondContact SG-CB 3.38Å; C488-C490 PolarHBondContact SG-N 3.37Å; C488-C490 VanDerWaalsContact SG-N 3.41Å; C488-C490 CovalentContact SG-SG 2.06Å; C488-C490 PolarHBondContact SG-SG 3.09Å; C490-I492 PolarHBondContact O-N 3.01Å
491C44.5Very low48.1Very low85 Ų85167.9 Ų167.957%0.57478%0.777SS**  trans-9790.1174.2-65.60000108.2C488 I493C488-C491 PolarHBondContact O-N 3.1Å; C488-C491 PolarHBondContact SG-N 2.97Å; C488-C491 VanDerWaalsContact SG-N 3.43Å; C491-I493 PolarHBondContact O-N 3.06Å; C491-I493 VanDerWaalsContact O-N 3.12Å
492I47Very low48.3Very low154 Ų154163.5 Ų163.579%0.7977%0.771SS**  trans-62111.6157.8-64.6172.7000105.4C490 I494C490-I492 PolarHBondContact O-N 3.01Å; I492-I494 PolarHBondContact O-N 2.92Å
493I49.9Very low48.4Very low120 Ų120157.7 Ų157.762%0.61576%0.762SS**  trans-67.8117.3166.3-62.4175.8000105.4Y487 C491Y487-I493 HydrophobicContact CD1-CD1 3.67Å; Y487-I493 HydrophobicContact CE1-CD1 3.53Å; C491-I493 PolarHBondContact O-N 3.06Å; C491-I493 VanDerWaalsContact O-N 3.12Å
494I42.7Very low48.4Very low226 Ų226161 Ų161100%1.15975%0.754SS**  trans-58.80172.8-62.6174.9000109.8I492I492-I494 PolarHBondContact O-N 2.92Å

Retrieved 494 of 494 residues in 234.3 ms (Link to these results)

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