A0A061HV34_CRIGR Loading...

Phosphorylase b kinase regulatory subunit

Phosphorylase b kinase catalyzes the phosphorylation of serine in certain substrates, including troponin I. The alpha chain may bind calmodulin.

AlphaFold DB , UniProt , Accession A0A061HV34, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Phka2, Length 1,235 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
1M40.3Very low72Confident246 Ų24699.6 Ų99.6100%1.21250%0.497SS*.  0105.20-76.4170.116200108.1
2R47.6Very low73.7Confident236 Ų23694.2 Ų94.289%0.89147%0.471SS*.PPolyproline II helixtrans-73.5128.2173-78.4-179.2175.4172.2-1.8108.2R67R2-R67 PolarHBondContact O-NH2 2.93Å
3S60Low75.1Confident117 Ų11789.6 Ų89.682%0.81846%0.462SS*.PPolyproline II helixtrans-56.1138.9174.649.70000110
4R63.9Low76.6Confident61 Ų6185.1 Ų85.123%0.2344%0.437CS..PPolyproline II helixtrans-67.9148.4175.8-154.7171.1-179.8-174.1-8.3108.8D12 D70R4-D12 IonicContact CZ-OD1 2.68Å; R4-D12 IonicContact CZ-OD2 3.6Å; R4-D12 IonicContact NH1-OD1 3.62Å; R4-D12 IonicContact NH1-OD2 2.66Å; R4-D12 PolarHBondContact NH1-OD2 3.31Å; R4-D12 IonicContact NH2-OD1 2.74Å; R4-D12 PolarHBondContact NH2-OD1 2.66Å; R4-D12 VanDerWaalsContact NH2-OD1 3.07Å; R4-D12 IonicContact NH2-OD2 2.72Å; R4-D12 PolarHBondContact NH2-OD2 3.33Å; R4-D70 IonicContact CZ-OD1 2.7Å; R4-D70 IonicContact NE-OD1 3.38Å; R4-D70 IonicContact NH2-OD1 2.81Å; R4-D70 PolarHBondContact NH2-OD1 3.06Å
5S71.6Confident77.8Confident34 Ų3481 Ų8124%0.23842%0.421CS..PPolyproline II helixtrans-61.6148.2177.950.60000110.7S7 G8 V9 D66S5-S7 WeakPolarHBondContact CB-OG 3.39Å; S5-S7 PolarHBondContact O-N 2.91Å; S5-S7 PolarHBondContact OG-OG 3.01Å; S5-S7 VanDerWaalsContact OG-OG 3.09Å; S5-G8 PolarHBondContact O-N 3.35Å; S5-G8 VanDerWaalsContact O-N 3.1Å; S5-G8 PolarHBondContact OG-N 2.66Å; S5-V9 PolarHBondContact O-N 3.46Å; S5-D66 VanDerWaalsContact CB-OD2 3.29Å; S5-D66 WeakPolarHBondContact CB-OD2 3.46Å; S5-D66 PolarHBondContact OG-OD2 3.04Å
6N78.4Confident78.8Confident142 Ų14286.1 Ų86.176%0.75943%0.433SS*.Hα-helixtrans-58.5-30.4176.5-80.9-13000111.9R10N6-R10 WeakPolarHBondContact O-CG 3.47Å; N6-R10 PolarHBondContact O-N 3.06Å
7S79.6Confident79.7Confident36 Ų3682.6 Ų82.625%0.25242%0.416SS..Hα-helixtrans-61.5-49.2172.544.40000112S5 V9 R10 L11S5-S7 WeakPolarHBondContact CB-OG 3.39Å; S5-S7 PolarHBondContact O-N 2.91Å; S5-S7 PolarHBondContact OG-OG 3.01Å; S5-S7 VanDerWaalsContact OG-OG 3.09Å; S7-V9 VanDerWaalsContact C-N 3.3Å; S7-V9 PolarHBondContact O-N 2.87Å; S7-R10 PolarHBondContact O-N 3.25Å; S7-L11 WeakPolarHBondContact O-CG 3.48Å; S7-L11 PolarHBondContact O-N 3.45Å
8G82.6Confident80.6Confident4 Ų478.1 Ų78.14%0.04139%0.393CS..Hα-helixtrans-59.7-38.1178.200000113.3S5 D12S5-G8 PolarHBondContact O-N 3.35Å; S5-G8 VanDerWaalsContact O-N 3.1Å; S5-G8 PolarHBondContact OG-N 2.66Å; G8-D12 VanDerWaalsContact O-CG 3.26Å; G8-D12 PolarHBondContact O-N 2.6Å
9V85.8Confident81.4Confident85 Ų8579.4 Ų79.452%0.51540%0.397SS..Hα-helixtrans-67-40.4176.8179.50000111.8S5 S7 D12 G13S5-V9 PolarHBondContact O-N 3.46Å; S7-V9 VanDerWaalsContact C-N 3.3Å; S7-V9 PolarHBondContact O-N 2.87Å; V9-D12 PolarHBondContact O-N 3.14Å; V9-G13 PolarHBondContact O-N 3.28Å
10R90.1Very high82Confident132 Ų13279.7 Ų79.750%0.49840%0.397SS..Hα-helixtrans-67.3-42.6176.4-72.2-175.974.6143.416.1112N6 S7 D12 G13 Y14 E415 F417N6-R10 WeakPolarHBondContact O-CG 3.47Å; N6-R10 PolarHBondContact O-N 3.06Å; S7-R10 PolarHBondContact O-N 3.25Å; R10-D12 VanDerWaalsContact C-N 3.3Å; R10-D12 PolarHBondContact O-N 3.43Å; R10-G13 WeakPolarHBondContact O-CA 3.48Å; R10-G13 PolarHBondContact O-N 3.34Å; R10-Y14 WeakPolarHBondContact O-CD2 3.31Å; R10-Y14 PolarHBondContact O-N 3Å; R10-Y14 VanDerWaalsContact O-N 3.08Å; R10-E415 IonicContact CZ-OE1 3.16Å; R10-E415 IonicContact CZ-OE2 3.39Å; R10-E415 IonicContact NE-OE2 2.79Å; R10-E415 PolarHBondContact NE-OE2 3.11Å; R10-E415 IonicContact NH2-OE1 2.95Å; R10-E415 PolarHBondContact NH2-OE1 2.98Å; R10-E415 IonicContact NH2-OE2 3.76Å; R10-E415 PolarHBondContact NH2-OE2 3.35Å; R10-F417 HydrophobicContact CB-CE2 4.18Å; R10-F417 HydrophobicContact CB-CZ 3.73Å; R10-F417 HydrophobicContact CG-CZ 4.48Å
11L92.4Very high82.6Confident3 Ų376 Ų762%0.01638%0.379CS..Hα-helixtrans-62.9-35.9175.4-69.8175.4000112.2S7 G13 Y14 A15 L57 A60 Y61 N64 L412 F417S7-L11 WeakPolarHBondContact O-CG 3.48Å; S7-L11 PolarHBondContact O-N 3.45Å; L11-G13 PolarHBondContact O-N 3.34Å; L11-Y14 PolarHBondContact O-N 2.95Å; L11-A15 WeakPolarHBondContact O-CB 3.33Å; L11-A15 PolarHBondContact O-N 2.89Å; L11-L57 HydrophobicContact CD2-CD1 4Å; L11-A60 HydrophobicContact CD2-CB 3.89Å; L11-Y61 HydrophobicContact CB-CD1 4.39Å; L11-Y61 HydrophobicContact CB-CE1 3.77Å; L11-Y61 HydrophobicContact CB-CE2 4.18Å; L11-Y61 HydrophobicContact CD1-CD1 4.14Å; L11-Y61 HydrophobicContact CD1-CE1 4.31Å; L11-Y61 PolarHBondContact O-OH 3.08Å; L11-N64 HydrophobicContact CD1-CB 4.05Å; L11-L412 HydrophobicContact CD2-CD2 4.13Å; L11-F417 HydrophobicContact CD1-CD1 4.41Å; L11-F417 HydrophobicContact CD2-CB 4.42Å; L11-F417 HydrophobicContact CD2-CD1 3.87Å; L11-F417 HydrophobicContact CD2-CD2 4.47Å; L11-F417 HydrophobicContact CD2-CE1 4.24Å; L11-F417 HydrophobicContact CD2-CG 4.01Å; L11-F417 HydrophobicContact CG-CD1 4.12Å; L11-F417 HydrophobicContact CG-CE1 4.07Å
12D91.6Very high85.3Confident34 Ų3464.3 Ų64.318%0.18232%0.322CS..Hα-helixtrans-62.9-33.1171.9-72.8-27.8000111.5R4 G8 V9 R10 A15 R16 Y61 K73R4-D12 IonicContact CZ-OD1 2.68Å; R4-D12 IonicContact CZ-OD2 3.6Å; R4-D12 IonicContact NH1-OD1 3.62Å; R4-D12 IonicContact NH1-OD2 2.66Å; R4-D12 PolarHBondContact NH1-OD2 3.31Å; R4-D12 IonicContact NH2-OD1 2.74Å; R4-D12 PolarHBondContact NH2-OD1 2.66Å; R4-D12 VanDerWaalsContact NH2-OD1 3.07Å; R4-D12 IonicContact NH2-OD2 2.72Å; R4-D12 PolarHBondContact NH2-OD2 3.33Å; G8-D12 VanDerWaalsContact O-CG 3.26Å; G8-D12 PolarHBondContact O-N 2.6Å; V9-D12 PolarHBondContact O-N 3.14Å; R10-D12 VanDerWaalsContact C-N 3.3Å; R10-D12 PolarHBondContact O-N 3.43Å; D12-A15 PolarHBondContact O-N 2.72Å; D12-R16 PolarHBondContact O-N 3.07Å; D12-Y61 WeakPolarHBondContact CA-OH 3.4Å; D12-Y61 PolarHBondContact N-OH 3Å; D12-Y61 VanDerWaalsContact N-OH 3.17Å; D12-Y61 PolarHBondContact OD1-OH 3.25Å; D12-K73 IonicContact OD1-NZ 2.91Å; D12-K73 PolarHBondContact OD1-NZ 3.39Å
13G92.7Very high87.7Confident35 Ų3553.7 Ų53.736%0.36128%0.283SS..Hα-helixtrans-63.2-48.2172.100000112.6V9 R10 L11 A15 R16 L17V9-G13 PolarHBondContact O-N 3.28Å; R10-G13 WeakPolarHBondContact O-CA 3.48Å; R10-G13 PolarHBondContact O-N 3.34Å; L11-G13 PolarHBondContact O-N 3.34Å; G13-A15 PolarHBondContact O-N 3.5Å; G13-R16 WeakPolarHBondContact O-CB 3.44Å; G13-R16 PolarHBondContact O-N 3.44Å; G13-L17 PolarHBondContact O-N 2.94Å
14Y95.4Very high89.3Confident26 Ų2650.8 Ų50.810%0.10226%0.262CS..Hα-helixtrans-64.1-37.9173.9-75.2-66.9000112.7R10 L11 R16 L17 V18 I408 S411 L412 E415 F417R10-Y14 WeakPolarHBondContact O-CD2 3.31Å; R10-Y14 PolarHBondContact O-N 3Å; R10-Y14 VanDerWaalsContact O-N 3.08Å; L11-Y14 PolarHBondContact O-N 2.95Å; Y14-R16 VanDerWaalsContact C-N 3.32Å; Y14-R16 PolarHBondContact O-N 2.96Å; Y14-L17 HydrophobicContact CD1-CD2 4.38Å; Y14-L17 WeakPolarHBondContact O-CB 3.48Å; Y14-L17 PolarHBondContact O-N 3.45Å; Y14-V18 WeakPolarHBondContact O-CB 3.23Å; Y14-V18 WeakPolarHBondContact O-CG2 3.42Å; Y14-V18 PolarHBondContact O-N 2.92Å; Y14-I408 HydrophobicContact CD1-CG2 4.03Å; Y14-S411 VanDerWaalsContact OH-CB 3.32Å; Y14-S411 WeakPolarHBondContact OH-CB 3.48Å; Y14-L412 HydrophobicContact CD1-CD2 4.37Å; Y14-L412 HydrophobicContact CD2-CD2 3.58Å; Y14-L412 HydrophobicContact CE2-CD2 3.81Å; Y14-L412 HydrophobicContact CG-CD2 3.88Å; Y14-E415 PolarHBondContact OH-OE1 3.29Å; Y14-E415 VanDerWaalsContact OH-OE1 3.05Å; Y14-E415 PolarHBondContact OH-OE2 3.44Å; Y14-F417 HydrophobicContact CE2-CD2 4.36Å; Y14-F417 HydrophobicContact CE2-CE2 4.23Å
15A94.9Very high90.8Very high24 Ų2449.5 Ų49.520%0.19826%0.257CS..Hα-helixtrans-61.2-41.3174.600000111.8L11 D12 G13 V18 Q19 L57 Y61L11-A15 WeakPolarHBondContact O-CB 3.33Å; L11-A15 PolarHBondContact O-N 2.89Å; D12-A15 PolarHBondContact O-N 2.72Å; G13-A15 PolarHBondContact O-N 3.5Å; A15-V18 PolarHBondContact O-N 3.33Å; A15-Q19 VanDerWaalsContact O-CB 3.29Å; A15-Q19 WeakPolarHBondContact O-CB 3.2Å; A15-Q19 PolarHBondContact O-N 3.01Å; A15-L57 HydrophobicContact CB-CD2 4.02Å; A15-Y61 HydrophobicContact CB-CE2 4.22Å
16R93.5Very high92Very high163 Ų16349.1 Ų49.162%0.61525%0.251SS*.Hα-helixtrans-62.4-44.2173.4-169-173.4-57.3158.85.3111.5D12 G13 Y14 Q19 Q20D12-R16 PolarHBondContact O-N 3.07Å; G13-R16 WeakPolarHBondContact O-CB 3.44Å; G13-R16 PolarHBondContact O-N 3.44Å; Y14-R16 VanDerWaalsContact C-N 3.32Å; Y14-R16 PolarHBondContact O-N 2.96Å; R16-Q19 PolarHBondContact O-N 3.31Å; R16-Q20 HydrophobicContact CG-CG 4.46Å; R16-Q20 WeakPolarHBondContact O-CB 3.32Å; R16-Q20 WeakPolarHBondContact O-CG 3.33Å; R16-Q20 PolarHBondContact O-N 3.31Å
17L94.3Very high92.8Very high27 Ų2743.9 Ų43.914%0.14122%0.224CC..Hα-helixtrans-60.4-49.3177.9-178.560.1000111.5G13 Y14 Q19 Q20 T21 I366 I408G13-L17 PolarHBondContact O-N 2.94Å; Y14-L17 HydrophobicContact CD1-CD2 4.38Å; Y14-L17 WeakPolarHBondContact O-CB 3.48Å; Y14-L17 PolarHBondContact O-N 3.45Å; L17-Q19 VanDerWaalsContact C-N 3.35Å; L17-Q19 PolarHBondContact O-N 3.17Å; L17-Q20 PolarHBondContact O-N 3Å; L17-T21 HydrophobicContact CD1-CG2 3.85Å; L17-T21 WeakPolarHBondContact O-CB 3.35Å; L17-T21 WeakPolarHBondContact O-CG2 3.45Å; L17-T21 PolarHBondContact O-N 3.43Å; L17-T21 PolarHBondContact O-OG1 3.48Å; L17-I366 HydrophobicContact CD1-CG2 3.48Å; L17-I366 VanDerWaalsContact CD1-CG2 3.48Å; L17-I408 HydrophobicContact CD2-CD1 3.93Å; L17-I408 HydrophobicContact CD2-CG1 3.67Å; L17-I408 HydrophobicContact CG-CD1 3.83Å; L17-I408 HydrophobicContact CG-CG1 4.16Å
18V96.6Very high93.5Very high1 Ų147.1 Ų47.11%0.00624%0.244CC..Hα-helixtrans-60.3-43.1176.1165.80000111.4Y14 A15 Q20 I22 L23 A53 V54 L57 I408Y14-V18 WeakPolarHBondContact O-CB 3.23Å; Y14-V18 WeakPolarHBondContact O-CG2 3.42Å; Y14-V18 PolarHBondContact O-N 2.92Å; A15-V18 PolarHBondContact O-N 3.33Å; V18-Q20 PolarHBondContact O-N 2.91Å; V18-I22 WeakPolarHBondContact O-CA 3.47Å; V18-I22 PolarHBondContact O-N 3.29Å; V18-L23 HydrophobicContact CG1-CD1 3.81Å; V18-L23 HydrophobicContact CG1-CG 3.87Å; V18-L23 PolarHBondContact O-N 3.05Å; V18-A53 HydrophobicContact CG2-CB 4.45Å; V18-V54 HydrophobicContact CG1-CG2 3.7Å; V18-L57 HydrophobicContact CB-CD2 4.23Å; V18-L57 HydrophobicContact CG2-CD2 3.92Å; V18-I408 HydrophobicContact CG2-CD1 3.94Å; V18-I408 HydrophobicContact CG2-CG2 4.15Å
19Q95.6Very high94.1Very high102 Ų10252.4 Ų52.448%0.47728%0.275SS..Hα-helixtrans-64-41.4179.3-171.362.631.700112.3A15 R16 L17 C24A15-Q19 VanDerWaalsContact O-CB 3.29Å; A15-Q19 WeakPolarHBondContact O-CB 3.2Å; A15-Q19 PolarHBondContact O-N 3.01Å; R16-Q19 PolarHBondContact O-N 3.31Å; L17-Q19 VanDerWaalsContact C-N 3.35Å; L17-Q19 PolarHBondContact O-N 3.17Å; Q19-C24 WeakPolarHBondContact O-CB 3.29Å; Q19-C24 PolarHBondContact O-N 3.48Å
20Q94Very high94.6Very high85 Ų8549.3 Ų49.340%0.39726%0.256SS..Hα-helixtrans-82.9-22.7-175.5-71.1177.1-38.900113.5R16 L17 V18 C24 I366R16-Q20 HydrophobicContact CG-CG 4.46Å; R16-Q20 WeakPolarHBondContact O-CB 3.32Å; R16-Q20 WeakPolarHBondContact O-CG 3.33Å; R16-Q20 PolarHBondContact O-N 3.31Å; L17-Q20 PolarHBondContact O-N 3Å; V18-Q20 PolarHBondContact O-N 2.91Å; Q20-C24 PolarHBondContact O-SG 3.27Å; Q20-I366 HydrophobicContact CB-CD1 4.12Å; Q20-I366 HydrophobicContact CG-CD1 4.5Å
21T94.5Very high94.9Very high3 Ų343 Ų432%0.01823%0.232CC..Hα-helixtrans-113.1-25.6-174.662.80000115L17 Y25 I366 L368 L401L17-T21 HydrophobicContact CD1-CG2 3.85Å; L17-T21 WeakPolarHBondContact O-CB 3.35Å; L17-T21 WeakPolarHBondContact O-CG2 3.45Å; L17-T21 PolarHBondContact O-N 3.43Å; L17-T21 PolarHBondContact O-OG1 3.48Å; T21-Y25 WeakPolarHBondContact O-CE2 3.2Å; T21-I366 HydrophobicContact CG2-CG2 3.87Å; T21-L368 HydrophobicContact CG2-CD2 3.81Å; T21-L401 WeakPolarHBondContact O-CD2 3.39Å
22I96.4Very high95.1Very high0 Ų042.9 Ų42.90%023%0.232CC..THydrogen-bonded Turntrans-120.6-62.3-175.8-60.6173.8000111V18 C24 Y25 L33 A53 V54 I408V18-I22 WeakPolarHBondContact O-CA 3.47Å; V18-I22 PolarHBondContact O-N 3.29Å; I22-C24 PolarHBondContact O-N 3.45Å; I22-C24 VanDerWaalsContact O-N 3.16Å; I22-Y25 PolarHBondContact O-N 3.5Å; I22-L33 HydrophobicContact CG2-CD1 4.23Å; I22-L33 HydrophobicContact CG2-CD2 4.3Å; I22-L33 WeakPolarHBondContact O-CD2 3.29Å; I22-A53 HydrophobicContact CD1-CB 3.81Å; I22-V54 HydrophobicContact CG2-CG2 4.16Å; I22-I408 HydrophobicContact CD1-CD1 4Å
23L96.9Very high95.4Very high13 Ų1341.3 Ų41.37%0.06822%0.223CC..G310 helixtrans-67.7-19-172.4-66.6175.2000113.4V18 Y25 Q26 V54 L77 N80V18-L23 HydrophobicContact CG1-CD1 3.81Å; V18-L23 HydrophobicContact CG1-CG 3.87Å; V18-L23 PolarHBondContact O-N 3.05Å; L23-Y25 PolarHBondContact O-N 3.17Å; L23-Q26 VanDerWaalsContact CD2-OE1 3.25Å; L23-Q26 WeakPolarHBondContact O-CB 3.01Å; L23-Q26 PolarHBondContact O-N 3.48Å; L23-V54 HydrophobicContact CD2-CG1 4.22Å; L23-V54 HydrophobicContact CD2-CG2 3.87Å; L23-V54 HydrophobicContact CG-CG2 4.16Å; L23-L77 HydrophobicContact CD1-CD2 4.12Å; L23-N80 HydrophobicContact CD2-CB 4.15Å
24C94.6Very high95.4Very high56 Ų5640.3 Ų40.338%0.37821%0.211SC..G310 helixtrans-62.3-19.9171.460.30000113.7Q19 Q20 I22Q19-C24 WeakPolarHBondContact O-CB 3.29Å; Q19-C24 PolarHBondContact O-N 3.48Å; Q20-C24 PolarHBondContact O-SG 3.27Å; I22-C24 PolarHBondContact O-N 3.45Å; I22-C24 VanDerWaalsContact O-N 3.16Å
25Y95.6Very high94.8Very high35 Ų3539.5 Ų39.514%0.13721%0.21CC..G310 helixtrans-95.4-3.7174.6-62.6-80.3000113.3T21 I22 L23 N27 S34 H37 L401T21-Y25 WeakPolarHBondContact O-CE2 3.2Å; I22-Y25 PolarHBondContact O-N 3.5Å; L23-Y25 PolarHBondContact O-N 3.17Å; Y25-N27 PolarHBondContact O-N 3.32Å; Y25-S34 PolarHBondContact O-N 2.9Å; Y25-H37 AromaticContact CD1-CE1 3.96Å; Y25-H37 AromaticContact CE1-CD2 3.52Å; Y25-H37 AromaticContact CE1-CE1 3.63Å; Y25-H37 AromaticContact CE1-CG 3.75Å; Y25-H37 AromaticContact CE1-ND1 3.82Å; Y25-H37 AromaticContact CE1-NE2 3.45Å; Y25-H37 WeakPolarHBondContact CE1-NE2 3.4Å; Y25-H37 AromaticContact CZ-NE2 3.81Å; Y25-L401 HydrophobicContact CD2-CD1 4.22Å; Y25-L401 HydrophobicContact CD2-CD2 3.75Å; Y25-L401 HydrophobicContact CE2-CD2 3.91Å; Y25-L401 HydrophobicContact CG-CD1 4.32Å
26Q96.7Very high94.3Very high25 Ų2539.6 Ų39.612%0.11721%0.209CC..BIsolated β-bridgetrans-79125.3-175.4-161178.624.100110.9L23 G31 L33 N80L23-Q26 VanDerWaalsContact CD2-OE1 3.25Å; L23-Q26 WeakPolarHBondContact O-CB 3.01Å; L23-Q26 PolarHBondContact O-N 3.48Å; Q26-G31 WeakPolarHBondContact CG-O 3.42Å; Q26-G31 PolarHBondContact NE2-O 2.96Å; Q26-L33 HydrophobicContact CB-CD2 3.7Å; Q26-L33 HydrophobicContact CG-CD2 4.13Å; Q26-N80 PolarHBondContact NE2-O 3.46Å
27N96.1Very high93.7Very high33 Ų3337.5 Ų37.518%0.17621%0.206CC..  trans-66.5126.3174.8-175.2-76.2000110.2Y25 V29 T30 G31 L32Y25-N27 PolarHBondContact O-N 3.32Å; N27-V29 PolarHBondContact O-N 3.05Å; N27-V29 VanDerWaalsContact O-N 3.14Å; N27-V29 WeakPolarHBondContact OD1-CA 3.35Å; N27-V29 WeakPolarHBondContact OD1-CB 3.4Å; N27-V29 PolarHBondContact OD1-N 3.23Å; N27-T30 WeakPolarHBondContact CB-OG1 3.36Å; N27-T30 PolarHBondContact OD1-N 3.48Å; N27-T30 PolarHBondContact OD1-OG1 3.21Å; N27-G31 VanDerWaalsContact O-CA 3.26Å; N27-G31 WeakPolarHBondContact O-CA 3.45Å; N27-G31 PolarHBondContact O-N 3.2Å; N27-L32 WeakPolarHBondContact CB-O 3.4Å; N27-L32 PolarHBondContact N-O 2.95Å
28P93.8Very high93Very high104 Ų10443.7 Ų43.768%0.67524%0.239SC*.THydrogen-bonded Turntrans-73.5-5.2-174.230.3-37.2000114K83P28-K83 VanDerWaalsContact O-CE 3.31Å; P28-K83 WeakPolarHBondContact O-CE 3.26Å; P28-K83 PolarHBondContact O-NZ 3.14Å
29V94.1Very high92.3Very high115 Ų11547 Ų4770%0.69726%0.255SS*.THydrogen-bonded Turntrans-105.8-57.6177.3-179.70000110.1N27 K83N27-V29 PolarHBondContact O-N 3.05Å; N27-V29 VanDerWaalsContact O-N 3.14Å; N27-V29 WeakPolarHBondContact OD1-CA 3.35Å; N27-V29 WeakPolarHBondContact OD1-CB 3.4Å; N27-V29 PolarHBondContact OD1-N 3.23Å; V29-K83 WeakPolarHBondContact O-CE 3.46Å
30T96Very high91.8Very high19 Ų1948.9 Ų48.912%0.11726%0.261CS..THydrogen-bonded Turntrans-83.9-20.7-174.363.50000113.1N27 L32 G87 T118 A119 C121N27-T30 WeakPolarHBondContact CB-OG1 3.36Å; N27-T30 PolarHBondContact OD1-N 3.48Å; N27-T30 PolarHBondContact OD1-OG1 3.21Å; T30-L32 PolarHBondContact O-N 3.35Å; T30-L32 PolarHBondContact OG1-N 3.47Å; T30-G87 WeakPolarHBondContact O-CA 3.35Å; T30-T118 WeakPolarHBondContact CB-O 3.29Å; T30-T118 VanDerWaalsContact CG2-O 3.29Å; T30-T118 WeakPolarHBondContact CG2-O 3.44Å; T30-T118 PolarHBondContact OG1-O 3.45Å; T30-A119 WeakPolarHBondContact CG2-O 3.35Å; T30-C121 VanDerWaalsContact CG2-SG 3.59Å
31G96.9Very high91.8Very high0 Ų046.6 Ų46.60%025%0.252CS..  trans76.9-2.5-172.100000114.6Q26 N27 L84Q26-G31 WeakPolarHBondContact CG-O 3.42Å; Q26-G31 PolarHBondContact NE2-O 2.96Å; N27-G31 VanDerWaalsContact O-CA 3.26Å; N27-G31 WeakPolarHBondContact O-CA 3.45Å; N27-G31 PolarHBondContact O-N 3.2Å; G31-L84 WeakPolarHBondContact O-CA 3.45Å; G31-L84 WeakPolarHBondContact O-CB 3.24Å; G31-L84 WeakPolarHBondContact O-CD1 3.12Å; G31-L84 WeakPolarHBondContact O-CG 3.46Å
32L97.8Very high91.8Very high0 Ų046.5 Ų46.50%025%0.251CS..PPolyproline II helixtrans-73.2141.4-179.5-62.2176.3000111.6N27 T30 A42 L88 T118N27-L32 WeakPolarHBondContact CB-O 3.4Å; N27-L32 PolarHBondContact N-O 2.95Å; T30-L32 PolarHBondContact O-N 3.35Å; T30-L32 PolarHBondContact OG1-N 3.47Å; L32-A42 HydrophobicContact CB-CB 3.95Å; L32-A42 HydrophobicContact CD1-CB 4.19Å; L32-A42 HydrophobicContact CD2-CB 4.5Å; L32-A42 HydrophobicContact CG-CB 4.45Å; L32-L88 HydrophobicContact CD2-CD2 3.59Å; L32-L88 HydrophobicContact CD2-CG 3.89Å; L32-T118 HydrophobicContact CB-CG2 4.18Å
33L96.6Very high91.8Very high2 Ų247 Ų471%0.0125%0.253CS..BIsolated β-bridgetrans-90.5130.3173-67.4164.6000110.1I22 Q26 A42 N47 L84I22-L33 HydrophobicContact CG2-CD1 4.23Å; I22-L33 HydrophobicContact CG2-CD2 4.3Å; I22-L33 WeakPolarHBondContact O-CD2 3.29Å; Q26-L33 HydrophobicContact CB-CD2 3.7Å; Q26-L33 HydrophobicContact CG-CD2 4.13Å; L33-A42 WeakPolarHBondContact O-CA 3.28Å; L33-A42 WeakPolarHBondContact O-CB 3.36Å; L33-N47 PolarHBondContact N-OD1 2.69Å; L33-N47 PolarHBondContact O-ND2 3.23Å; L33-L84 HydrophobicContact CB-CD1 4.49Å; L33-L84 HydrophobicContact CD1-CD1 3.57Å; L33-L84 HydrophobicContact CG-CD1 3.71Å
34S93.3Very high91.8Very high14 Ų1446.5 Ų46.510%0.09825%0.25CS..PPolyproline II helixtrans-76.5148.2167.164.70000111Y25 S36 L401Y25-S34 PolarHBondContact O-N 2.9Å; S34-S36 VanDerWaalsContact C-N 3.26Å; S34-S36 WeakPolarHBondContact CB-O 3.21Å; S34-S36 PolarHBondContact O-N 3.33Å; S34-S36 PolarHBondContact OG-O 2.61Å; S34-L401 WeakPolarHBondContact O-CD1 3.29Å
35A82.4Confident91.9Very high9 Ų944.4 Ų44.47%0.07423%0.234CC..SBendtrans-62.3-33.4176.900000113.1Q39 D41 W43A35-Q39 HydrophobicContact CB-CB 4.16Å; A35-Q39 HydrophobicContact CB-CG 4.07Å; A35-Q39 PolarHBondContact N-O 2.93Å; A35-D41 PolarHBondContact N-O 3.49Å; A35-D41 VanDerWaalsContact N-O 3.14Å; A35-W43 HydrophobicContact CB-CE3 4.02Å; A35-W43 HydrophobicContact CB-CZ3 3.88Å
36S83.9Confident91.9Very high26 Ų2643.7 Ų43.718%0.18223%0.233CC..SBendtrans-159.1-173169.472.30000110.1S34 D38 Q39S34-S36 VanDerWaalsContact C-N 3.26Å; S34-S36 WeakPolarHBondContact CB-O 3.21Å; S34-S36 PolarHBondContact O-N 3.33Å; S34-S36 PolarHBondContact OG-O 2.61Å; S36-D38 VanDerWaalsContact C-N 3.32Å; S36-D38 PolarHBondContact OG-N 3.38Å; S36-Q39 PolarHBondContact N-O 3.26Å; S36-Q39 VanDerWaalsContact N-O 3.1Å; S36-Q39 VanDerWaalsContact O-O 3.1Å; S36-Q39 WeakPolarHBondContact OG-CB 3.38Å; S36-Q39 PolarHBondContact OG-N 3.02Å
37H81.6Confident91.9Very high119 Ų11942.7 Ų42.755%0.55123%0.228SC*.SBendtrans-70.3-31.8171.3-74-55.7000112.5Y25Y25-H37 AromaticContact CD1-CE1 3.96Å; Y25-H37 AromaticContact CE1-CD2 3.52Å; Y25-H37 AromaticContact CE1-CE1 3.63Å; Y25-H37 AromaticContact CE1-CG 3.75Å; Y25-H37 AromaticContact CE1-ND1 3.82Å; Y25-H37 AromaticContact CE1-NE2 3.45Å; Y25-H37 WeakPolarHBondContact CE1-NE2 3.4Å; Y25-H37 AromaticContact CZ-NE2 3.81Å
38D79.7Confident92Very high157 Ų15741.1 Ų41.184%0.8422%0.22SC*.SBendtrans-85-34.8-179.8-56.8-42.3000111.4S36S36-D38 VanDerWaalsContact C-N 3.32Å; S36-D38 PolarHBondContact OG-N 3.38Å
39Q81Confident92.2Very high71 Ų7136.3 Ų36.333%0.33219%0.188SC..  trans-103.793.4179.3-165.9175.225.900110.2A35 S36 D41 W43A35-Q39 HydrophobicContact CB-CB 4.16Å; A35-Q39 HydrophobicContact CB-CG 4.07Å; A35-Q39 PolarHBondContact N-O 2.93Å; S36-Q39 PolarHBondContact N-O 3.26Å; S36-Q39 VanDerWaalsContact N-O 3.1Å; S36-Q39 VanDerWaalsContact O-O 3.1Å; S36-Q39 WeakPolarHBondContact OG-CB 3.38Å; S36-Q39 PolarHBondContact OG-N 3.02Å; Q39-D41 VanDerWaalsContact C-N 3.28Å; Q39-D41 PolarHBondContact O-N 2.81Å; Q39-W43 HydrophobicContact CG-CH2 4.13Å; Q39-W43 HydrophobicContact CG-CZ3 3.96Å
40K86.9Confident92.4Very high140 Ų14030.9 Ų30.961%0.60916%0.155SC*.  trans-81.81.2-171.9-63.5-172.4-178.8179.30115.1T118K40-T118 WeakPolarHBondContact O-CB 3.47Å; K40-T118 WeakPolarHBondContact O-CG2 3.37Å; K40-T118 PolarHBondContact O-OG1 2.97Å
41D93.1Very high92.5Very high38 Ų3830 Ų3020%0.20315%0.15CC..EExtended strand (participates in β ladder)trans-80146.9179.1-57.5-22.9000110.6A35 Q39 W43 Y116A35-D41 PolarHBondContact N-O 3.49Å; A35-D41 VanDerWaalsContact N-O 3.14Å; Q39-D41 VanDerWaalsContact C-N 3.28Å; Q39-D41 PolarHBondContact O-N 2.81Å; D41-W43 HydrophobicContact CB-CE3 4.16Å; D41-W43 HydrophobicContact CB-CH2 3.84Å; D41-W43 HydrophobicContact CB-CZ3 3.48Å; D41-W43 VanDerWaalsContact CB-CZ3 3.48Å; D41-Y116 CarbonylContact C-O 3.57Å; D41-Y116 WeakPolarHBondContact CA-O 2.93Å
42A94.9Very high92.6Very high0 Ų030 Ų300%015%0.15CC..EExtended strand (participates in β ladder)trans-105.1108.4176.300000109.9L32 L33 N47 K115 Y116 T118L32-A42 HydrophobicContact CB-CB 3.95Å; L32-A42 HydrophobicContact CD1-CB 4.19Å; L32-A42 HydrophobicContact CD2-CB 4.5Å; L32-A42 HydrophobicContact CG-CB 4.45Å; L33-A42 WeakPolarHBondContact O-CA 3.28Å; L33-A42 WeakPolarHBondContact O-CB 3.36Å; A42-N47 WeakPolarHBondContact CB-ND2 3.49Å; A42-K115 CarbonylContact O-C 3.6Å; A42-K115 VanDerWaalsContact O-CA 3.27Å; A42-K115 WeakPolarHBondContact O-CA 3.44Å; A42-Y116 PolarHBondContact N-O 3.34Å; A42-Y116 PolarHBondContact O-N 3.02Å; A42-T118 HydrophobicContact CB-CG2 3.66Å
43W96.1Very high92.6Very high11 Ų1130 Ų304%0.04215%0.15CC..EExtended strand (participates in β ladder)trans-78.6135.3168.1-82.1-104.3000110.1A35 Q39 D41 R45 D46 N47 K115 W130 E185A35-W43 HydrophobicContact CB-CE3 4.02Å; A35-W43 HydrophobicContact CB-CZ3 3.88Å; Q39-W43 HydrophobicContact CG-CH2 4.13Å; Q39-W43 HydrophobicContact CG-CZ3 3.96Å; D41-W43 HydrophobicContact CB-CE3 4.16Å; D41-W43 HydrophobicContact CB-CH2 3.84Å; D41-W43 HydrophobicContact CB-CZ3 3.48Å; D41-W43 VanDerWaalsContact CB-CZ3 3.48Å; W43-R45 PolarHBondContact O-N 3.21Å; W43-D46 HydrophobicContact CB-CB 4Å; W43-D46 PolarHBondContact O-N 2.68Å; W43-N47 VanDerWaalsContact O-CB 3.28Å; W43-N47 WeakPolarHBondContact O-CB 3.45Å; W43-N47 PolarHBondContact O-N 3.3Å; W43-N47 PolarHBondContact O-ND2 3.11Å; W43-K115 HydrophobicContact CD2-CB 3.96Å; W43-K115 HydrophobicContact CD2-CD 4.47Å; W43-K115 HydrophobicContact CG-CB 4.08Å; W43-K115 HydrophobicContact CH2-CD 3.95Å; W43-K115 HydrophobicContact CZ2-CB 4.38Å; W43-K115 HydrophobicContact CZ2-CD 3.37Å; W43-K115 HydrophobicContact CZ2-CG 4.49Å; W43-W130 HydrophobicContact CZ2-CH2 4.44Å; W43-W130 AromaticContact CZ2-CZ2 3.93Å; W43-W130 HydrophobicContact CZ2-CZ2 3.93Å; W43-E185 VanDerWaalsContact CD1-OE1 3.23Å; W43-E185 PolarHBondContact NE1-OE1 3.16Å; W43-E185 PolarHBondContact NE1-OE2 3.14Å
44V96.9Very high92.7Very high3 Ų329.9 Ų29.92%0.01815%0.149CC..Hα-helixtrans-55.4-51.8179.2174.80000110.7N47 I48 L88 M92 A114 Y116 A137 F141V44-N47 PolarHBondContact O-N 3.45Å; V44-I48 HydrophobicContact CG1-CD1 3.73Å; V44-I48 WeakPolarHBondContact O-CD1 3.3Å; V44-I48 VanDerWaalsContact O-CG1 3.31Å; V44-I48 WeakPolarHBondContact O-CG1 3.31Å; V44-I48 PolarHBondContact O-N 3.5Å; V44-I48 VanDerWaalsContact O-N 3.11Å; V44-L88 HydrophobicContact CG2-CD2 4.22Å; V44-M92 HydrophobicContact CG1-CE 3.8Å; V44-M92 HydrophobicContact CG2-CE 4.12Å; V44-A114 WeakPolarHBondContact CG2-O 3.47Å; V44-A114 PolarHBondContact N-O 3.16Å; V44-Y116 HydrophobicContact CG2-CD2 4.16Å; V44-Y116 HydrophobicContact CG2-CE2 3.57Å; V44-A137 HydrophobicContact CB-CB 4.19Å; V44-A137 HydrophobicContact CG1-CB 4.17Å; V44-F141 HydrophobicContact CG1-CB 4.49Å
45R96.4Very high92.9Very high11 Ų1129.2 Ų29.24%0.04215%0.145CC..Hα-helixtrans-60.1-53.6-178.8177.4176.257.2-110.2-9.9112.1W43 N47 I48 Y49 D136 A137 L140 M183W43-R45 PolarHBondContact O-N 3.21Å; R45-N47 VanDerWaalsContact C-N 3.27Å; R45-N47 PolarHBondContact O-N 2.94Å; R45-I48 PolarHBondContact O-N 2.83Å; R45-Y49 HydrophobicContact CG-CD2 3.62Å; R45-Y49 HydrophobicContact CG-CE2 3.68Å; R45-Y49 PolarHBondContact O-N 2.63Å; R45-D136 IonicContact CZ-OD2 3.45Å; R45-D136 IonicContact NH1-OD1 2.78Å; R45-D136 IonicContact NH1-OD2 3.89Å; R45-D136 PolarHBondContact NH1-OD2 3.18Å; R45-A137 HydrophobicContact CB-CB 4.35Å; R45-L140 HydrophobicContact CB-CD2 4.43Å; R45-L140 HydrophobicContact CG-CD2 3.98Å; R45-M183 PolarHBondContact NH1-O 3.42Å; R45-M183 VanDerWaalsContact NH1-O 3.08Å; R45-M183 PolarHBondContact NH2-O 2.89Å
46D95.1Very high93.6Very high21 Ų2128.8 Ų28.811%0.11214%0.141CC..Hα-helixtrans-59.2-40.2-179.4-65.635000111.1W43 S50 K397W43-D46 HydrophobicContact CB-CB 4Å; W43-D46 PolarHBondContact O-N 2.68Å; D46-S50 WeakPolarHBondContact O-CB 3.45Å; D46-S50 PolarHBondContact O-N 3.05Å; D46-S50 PolarHBondContact O-OG 2.92Å; D46-K397 IonicContact OD2-NZ 2.79Å
47N98Very high94.3Very high3 Ų327.6 Ų27.62%0.01613%0.133CC..Hα-helixtrans-61.3-46.8177.4-91-107.5000111.9L33 A42 W43 V44 R45 S50 I51 L84 L88L33-N47 PolarHBondContact N-OD1 2.69Å; L33-N47 PolarHBondContact O-ND2 3.23Å; A42-N47 WeakPolarHBondContact CB-ND2 3.49Å; W43-N47 VanDerWaalsContact O-CB 3.28Å; W43-N47 WeakPolarHBondContact O-CB 3.45Å; W43-N47 PolarHBondContact O-N 3.3Å; W43-N47 PolarHBondContact O-ND2 3.11Å; V44-N47 PolarHBondContact O-N 3.45Å; R45-N47 VanDerWaalsContact C-N 3.27Å; R45-N47 PolarHBondContact O-N 2.94Å; N47-S50 PolarHBondContact O-N 3.26Å; N47-I51 WeakPolarHBondContact O-CB 3.15Å; N47-I51 PolarHBondContact O-N 3.1Å; N47-L84 HydrophobicContact CB-CD1 4.23Å; N47-L84 HydrophobicContact CB-CD2 4.18Å; N47-L88 HydrophobicContact CB-CD1 4.14Å; N47-L88 HydrophobicContact CB-CD2 4.33Å
48I98.2Very high95Very high0 Ų021.9 Ų21.90%011%0.106CC..Hα-helixtrans-67.4-48.3-179-62.3156.7000110.7V44 R45 S50 I51 L52 M85 L88 L140 F141 F144V44-I48 HydrophobicContact CG1-CD1 3.73Å; V44-I48 WeakPolarHBondContact O-CD1 3.3Å; V44-I48 VanDerWaalsContact O-CG1 3.31Å; V44-I48 WeakPolarHBondContact O-CG1 3.31Å; V44-I48 PolarHBondContact O-N 3.5Å; V44-I48 VanDerWaalsContact O-N 3.11Å; R45-I48 PolarHBondContact O-N 2.83Å; I48-S50 VanDerWaalsContact C-N 3.3Å; I48-S50 PolarHBondContact O-N 3.49Å; I48-I51 WeakPolarHBondContact O-CG2 3.35Å; I48-I51 PolarHBondContact O-N 3.09Å; I48-L52 WeakPolarHBondContact O-CD2 3.47Å; I48-L52 WeakPolarHBondContact O-CG 3.46Å; I48-M85 HydrophobicContact CG1-SD 4.38Å; I48-L88 HydrophobicContact CD1-CD1 4.25Å; I48-L88 HydrophobicContact CG1-CD1 3.73Å; I48-L140 HydrophobicContact CB-CD2 4.01Å; I48-L140 HydrophobicContact CB-CG 4.3Å; I48-L140 HydrophobicContact CD1-CB 4.31Å; I48-L140 HydrophobicContact CD1-CD2 4.22Å; I48-L140 HydrophobicContact CD1-CG 4.17Å; I48-L140 HydrophobicContact CG2-CD2 4.05Å; I48-L140 HydrophobicContact CG2-CG 3.89Å; I48-F141 VanDerWaalsContact CD1-CA 3.45Å; I48-F141 HydrophobicContact CD1-CB 3.71Å; I48-F141 HydrophobicContact CD1-CD2 4.43Å; I48-F144 HydrophobicContact CG2-CB 3.91Å; I48-F144 HydrophobicContact CG2-CD2 3.48Å; I48-F144 VanDerWaalsContact CG2-CD2 3.48Å; I48-F144 HydrophobicContact CG2-CE2 4.27Å; I48-F144 HydrophobicContact CG2-CG 3.88Å
49Y97.9Very high95.8Very high3 Ų315.2 Ų15.21%0.0127%0.07CC..Hα-helixtrans-62.9-38.1177.6-82.4-61000112.4R45 I51 L52 L140 P266 Y334 W402 S405R45-Y49 HydrophobicContact CG-CD2 3.62Å; R45-Y49 HydrophobicContact CG-CE2 3.68Å; R45-Y49 PolarHBondContact O-N 2.63Å; Y49-I51 VanDerWaalsContact C-N 3.34Å; Y49-I51 PolarHBondContact O-N 3.23Å; Y49-L52 HydrophobicContact CD1-CD1 3.93Å; Y49-L52 WeakPolarHBondContact O-CG 3.46Å; Y49-L52 PolarHBondContact O-N 2.79Å; Y49-L140 HydrophobicContact CD2-CD2 3.69Å; Y49-L140 HydrophobicContact CE1-CD1 4.35Å; Y49-L140 HydrophobicContact CE2-CD1 4.34Å; Y49-L140 HydrophobicContact CE2-CD2 3.43Å; Y49-L140 VanDerWaalsContact CE2-CD2 3.43Å; Y49-L140 HydrophobicContact CG-CD2 4.36Å; Y49-P266 HydrophobicContact CE1-CG 4.17Å; Y49-Y334 WeakPolarHBondContact CE1-OH 3.32Å; Y49-Y334 PolarHBondContact OH-OH 2.9Å; Y49-W402 AromaticContact CD1-CD1 3.9Å; Y49-W402 AromaticContact CD1-NE1 3.52Å; Y49-W402 AromaticContact CD2-CD2 3.87Å; Y49-W402 HydrophobicContact CD2-CD2 3.87Å; Y49-W402 AromaticContact CD2-CE2 3.5Å; Y49-W402 VanDerWaalsContact CD2-CE2 3.5Å; Y49-W402 HydrophobicContact CD2-CE3 4.47Å; Y49-W402 HydrophobicContact CD2-CG 4.2Å; Y49-W402 HydrophobicContact CD2-CH2 4.43Å; Y49-W402 AromaticContact CD2-CZ2 3.82Å; Y49-W402 HydrophobicContact CD2-CZ2 3.82Å; Y49-W402 AromaticContact CD2-NE1 3.61Å; Y49-W402 AromaticContact CE1-NE1 3.92Å; Y49-W402 HydrophobicContact CE2-CD2 4.46Å; Y49-W402 AromaticContact CE2-CE2 3.72Å; Y49-W402 HydrophobicContact CE2-CH2 4.17Å; Y49-W402 AromaticContact CE2-CZ2 3.55Å; Y49-W402 HydrophobicContact CE2-CZ2 3.55Å; Y49-W402 AromaticContact CE2-NE1 3.98Å; Y49-W402 AromaticContact CG-CD1 3.52Å; Y49-W402 HydrophobicContact CG-CD2 4.15Å; Y49-W402 AromaticContact CG-CE2 3.78Å; Y49-W402 HydrophobicContact CG-CG 4.01Å; Y49-W402 HydrophobicContact CG-CZ2 4.46Å; Y49-W402 AromaticContact CG-NE1 3.37Å; Y49-S405 WeakPolarHBondContact O-CB 3.4Å; Y49-S405 PolarHBondContact O-OG 2.98Å
50S97.7Very high96.5Very high1 Ų111.9 Ų11.91%0.0076%0.055CC..Hα-helixtrans-68.9-32.1-179.3-58.90000112.8D46 N47 I48 L52 L401 S405D46-S50 WeakPolarHBondContact O-CB 3.45Å; D46-S50 PolarHBondContact O-N 3.05Å; D46-S50 PolarHBondContact O-OG 2.92Å; N47-S50 PolarHBondContact O-N 3.26Å; I48-S50 VanDerWaalsContact C-N 3.3Å; I48-S50 PolarHBondContact O-N 3.49Å; S50-L52 VanDerWaalsContact C-N 3.29Å; S50-L52 PolarHBondContact O-N 2.79Å; S50-L401 WeakPolarHBondContact OG-CB 3.5Å; S50-S405 WeakPolarHBondContact O-CB 3.23Å; S50-S405 PolarHBondContact O-OG 3.18Å
51I98.2Very high96.9Very high0 Ų05.2 Ų5.20%03%0.026CC..Hα-helixtrans-78.1-13.1-179.6-152.161.7000113.1N47 I48 Y49 A53 V54 W55 V81 L84 M148N47-I51 WeakPolarHBondContact O-CB 3.15Å; N47-I51 PolarHBondContact O-N 3.1Å; I48-I51 WeakPolarHBondContact O-CG2 3.35Å; I48-I51 PolarHBondContact O-N 3.09Å; Y49-I51 VanDerWaalsContact C-N 3.34Å; Y49-I51 PolarHBondContact O-N 3.23Å; I51-A53 VanDerWaalsContact C-N 3.33Å; I51-A53 PolarHBondContact O-N 3.28Å; I51-V54 HydrophobicContact CD1-CB 3.85Å; I51-V54 HydrophobicContact CD1-CG1 4.23Å; I51-V54 HydrophobicContact CD1-CG2 3.78Å; I51-V54 HydrophobicContact CG1-CB 4.33Å; I51-V54 WeakPolarHBondContact O-CB 3.4Å; I51-V54 PolarHBondContact O-N 2.79Å; I51-W55 PolarHBondContact O-N 3.34Å; I51-V81 HydrophobicContact CD1-CG2 4.47Å; I51-V81 HydrophobicContact CG1-CB 4.19Å; I51-V81 HydrophobicContact CG1-CG1 4.21Å; I51-V81 HydrophobicContact CG1-CG2 3.97Å; I51-L84 HydrophobicContact CB-CD1 4.01Å; I51-L84 HydrophobicContact CB-CD2 4.27Å; I51-L84 HydrophobicContact CD1-CB 4.39Å; I51-L84 HydrophobicContact CD1-CD1 3.95Å; I51-L84 HydrophobicContact CG1-CB 4.31Å; I51-L84 HydrophobicContact CG1-CD1 4.06Å; I51-L84 HydrophobicContact CG1-CD2 4.49Å; I51-L84 HydrophobicContact CG2-CD2 4.11Å; I51-M148 HydrophobicContact CG2-CE 3.98Å
52L98.4Very high96.8Very high0 Ų08.5 Ų8.50%04%0.035CC..Hα-helixtrans-61.5-36.9-178.9-58.3-173.4000113.3I48 Y49 S50 V54 W55 G56 F144 M148 F265 L406 L409I48-L52 WeakPolarHBondContact O-CD2 3.47Å; I48-L52 WeakPolarHBondContact O-CG 3.46Å; Y49-L52 HydrophobicContact CD1-CD1 3.93Å; Y49-L52 WeakPolarHBondContact O-CG 3.46Å; Y49-L52 PolarHBondContact O-N 2.79Å; S50-L52 VanDerWaalsContact C-N 3.29Å; S50-L52 PolarHBondContact O-N 2.79Å; L52-V54 VanDerWaalsContact C-N 3.31Å; L52-V54 PolarHBondContact O-N 3.19Å; L52-W55 HydrophobicContact CD2-CE3 4.24Å; L52-W55 PolarHBondContact O-N 3.47Å; L52-G56 PolarHBondContact O-N 3.5Å; L52-F144 HydrophobicContact CD1-CE1 4Å; L52-F144 HydrophobicContact CD1-CE2 3.97Å; L52-F144 HydrophobicContact CD1-CZ 3.44Å; L52-F144 VanDerWaalsContact CD1-CZ 3.44Å; L52-F144 HydrophobicContact CD2-CD1 3.5Å; L52-F144 HydrophobicContact CD2-CD2 4.27Å; L52-F144 HydrophobicContact CD2-CE1 3.26Å; L52-F144 HydrophobicContact CD2-CE2 4.05Å; L52-F144 HydrophobicContact CD2-CG 4.01Å; L52-F144 HydrophobicContact CD2-CZ 3.54Å; L52-F144 HydrophobicContact CG-CE1 4.27Å; L52-F144 HydrophobicContact CG-CZ 4.14Å; L52-M148 HydrophobicContact CD2-CE 4.09Å; L52-F265 HydrophobicContact CD1-CE1 4.2Å; L52-F265 HydrophobicContact CD1-CZ 4.23Å; L52-L406 HydrophobicContact CD1-CD2 4.35Å; L52-L409 HydrophobicContact CB-CD2 4.3Å
53A97.9Very high96.5Very high0 Ų013.2 Ų13.20%06%0.056CC..Hα-helixtrans-64.3-37173.900000112.4V18 I22 I51 L57 S405 I408V18-A53 HydrophobicContact CG2-CB 4.45Å; I22-A53 HydrophobicContact CD1-CB 3.81Å; I51-A53 VanDerWaalsContact C-N 3.33Å; I51-A53 PolarHBondContact O-N 3.28Å; A53-L57 WeakPolarHBondContact O-CB 3.41Å; A53-L57 PolarHBondContact O-N 2.96Å; A53-S405 WeakPolarHBondContact CB-OG 3.41Å; A53-S405 PolarHBondContact N-OG 2.9Å; A53-I408 HydrophobicContact CB-CB 3.92Å; A53-I408 HydrophobicContact CB-CD1 4.38Å; A53-I408 HydrophobicContact CB-CG2 3.93Å
54V98.4Very high96Very high0 Ų015 Ų150%07%0.066CC..Hα-helixtrans-68.3-44.9177.3-174.40000110V18 I22 L23 I51 L52 L57 G58 L77 N80 V81V18-V54 HydrophobicContact CG1-CG2 3.7Å; I22-V54 HydrophobicContact CG2-CG2 4.16Å; L23-V54 HydrophobicContact CD2-CG1 4.22Å; L23-V54 HydrophobicContact CD2-CG2 3.87Å; L23-V54 HydrophobicContact CG-CG2 4.16Å; I51-V54 HydrophobicContact CD1-CB 3.85Å; I51-V54 HydrophobicContact CD1-CG1 4.23Å; I51-V54 HydrophobicContact CD1-CG2 3.78Å; I51-V54 HydrophobicContact CG1-CB 4.33Å; I51-V54 WeakPolarHBondContact O-CB 3.4Å; I51-V54 PolarHBondContact O-N 2.79Å; L52-V54 VanDerWaalsContact C-N 3.31Å; L52-V54 PolarHBondContact O-N 3.19Å; V54-L57 PolarHBondContact O-N 3.19Å; V54-G58 PolarHBondContact O-N 3.21Å; V54-L77 HydrophobicContact CG1-CB 4.16Å; V54-L77 HydrophobicContact CG1-CD2 3.88Å; V54-N80 HydrophobicContact CG1-CB 4.38Å; V54-V81 HydrophobicContact CB-CG2 4.19Å; V54-V81 HydrophobicContact CG1-CG2 3.96Å
55W98.3Very high95.1Very high1 Ų116.1 Ų16.10%0.0048%0.076CC..Hα-helixtrans-61-53.1174.9176.351.3000111.6I51 L52 L57 G58 M59 V81 F144 Q147 M148 S151 I423I51-W55 PolarHBondContact O-N 3.34Å; L52-W55 HydrophobicContact CD2-CE3 4.24Å; L52-W55 PolarHBondContact O-N 3.47Å; W55-L57 VanDerWaalsContact C-N 3.33Å; W55-L57 PolarHBondContact O-N 2.93Å; W55-G58 PolarHBondContact O-N 3.44Å; W55-G58 VanDerWaalsContact O-N 3.11Å; W55-M59 HydrophobicContact CD2-SD 4.21Å; W55-M59 VanDerWaalsContact CE2-SD 3.53Å; W55-M59 HydrophobicContact CH2-SD 4.46Å; W55-M59 HydrophobicContact CZ2-SD 3.69Å; W55-M59 WeakPolarHBondContact O-CG 3.47Å; W55-M59 PolarHBondContact O-N 2.91Å; W55-V81 HydrophobicContact CB-CG1 4.28Å; W55-V81 HydrophobicContact CB-CG2 3.82Å; W55-F144 HydrophobicContact CZ3-CD1 4.28Å; W55-F144 AromaticContact CZ3-CE1 3.96Å; W55-F144 HydrophobicContact CZ3-CE1 3.96Å; W55-Q147 HydrophobicContact CH2-CB 4.24Å; W55-M148 HydrophobicContact CB-CE 4.27Å; W55-M148 HydrophobicContact CD2-CE 4.24Å; W55-M148 HydrophobicContact CD2-CG 4.2Å; W55-M148 HydrophobicContact CE3-CE 4.4Å; W55-M148 HydrophobicContact CG-CE 4.2Å; W55-M148 HydrophobicContact CG-CG 4.45Å; W55-M148 HydrophobicContact CZ2-CG 4.32Å; W55-S151 PolarHBondContact NE1-OG 3.21Å; W55-I423 HydrophobicContact CH2-CB 4.31Å; W55-I423 WeakPolarHBondContact CH2-O 3.4Å; W55-I423 HydrophobicContact CZ3-CB 4.05Å; W55-I423 HydrophobicContact CZ3-CG2 4.32Å
56G97.6Very high94.2Very high0 Ų020.8 Ų20.80%010%0.101CC..Hα-helixtrans-58.7-41.8177.600000112.6L52 M59 A60 L418L52-G56 PolarHBondContact O-N 3.5Å; G56-M59 PolarHBondContact O-N 3.11Å; G56-A60 WeakPolarHBondContact O-CB 3.37Å; G56-A60 PolarHBondContact O-N 3.48Å; G56-L418 WeakPolarHBondContact O-CD1 3.4Å
57L97.8Very high93.5Very high0 Ų024.1 Ų24.10%011%0.113CC..Hα-helixtrans-65.3-40.9175.3-17762.5000112.1L11 A15 V18 A53 V54 W55 M59 A60 Y61 L77 L412L11-L57 HydrophobicContact CD2-CD1 4Å; A15-L57 HydrophobicContact CB-CD2 4.02Å; V18-L57 HydrophobicContact CB-CD2 4.23Å; V18-L57 HydrophobicContact CG2-CD2 3.92Å; A53-L57 WeakPolarHBondContact O-CB 3.41Å; A53-L57 PolarHBondContact O-N 2.96Å; V54-L57 PolarHBondContact O-N 3.19Å; W55-L57 VanDerWaalsContact C-N 3.33Å; W55-L57 PolarHBondContact O-N 2.93Å; L57-M59 VanDerWaalsContact C-N 3.33Å; L57-M59 PolarHBondContact O-N 3.2Å; L57-A60 PolarHBondContact O-N 2.85Å; L57-Y61 HydrophobicContact CD1-CD2 3.98Å; L57-Y61 HydrophobicContact CD1-CE2 3.73Å; L57-Y61 HydrophobicContact CD2-CE2 4.2Å; L57-Y61 HydrophobicContact CG-CD2 3.92Å; L57-Y61 HydrophobicContact CG-CE2 3.8Å; L57-Y61 VanDerWaalsContact O-CD2 3.32Å; L57-Y61 WeakPolarHBondContact O-CD2 3.31Å; L57-Y61 PolarHBondContact O-N 3.5Å; L57-L77 HydrophobicContact CB-CD1 4.32Å; L57-L77 HydrophobicContact CD2-CD1 3.92Å; L57-L77 HydrophobicContact CD2-CD2 4.47Å; L57-L77 HydrophobicContact CG-CD1 3.8Å; L57-L412 HydrophobicContact CB-CD1 4.19Å; L57-L412 HydrophobicContact CD1-CD1 4.41Å; L57-L412 HydrophobicContact CD1-CD2 4.29Å
58G96.8Very high92.8Very high0 Ų030 Ų300%014%0.144CC..Hα-helixtrans-57.6-45.8173.500000111.9V54 W55 A60 Y61 R62V54-G58 PolarHBondContact O-N 3.21Å; W55-G58 PolarHBondContact O-N 3.44Å; W55-G58 VanDerWaalsContact O-N 3.11Å; G58-A60 PolarHBondContact O-N 3.49Å; G58-Y61 PolarHBondContact O-N 3.28Å; G58-R62 WeakPolarHBondContact O-CB 3.37Å; G58-R62 PolarHBondContact O-N 3.43Å
59M95.9Very high92.2Very high17 Ų1735.4 Ų35.48%0.08417%0.169CC..Hα-helixtrans-63.2-41.3174.9-63.6-169.676.700112.5W55 G56 L57 Y61 R62 K63 L418 E422W55-M59 HydrophobicContact CD2-SD 4.21Å; W55-M59 VanDerWaalsContact CE2-SD 3.53Å; W55-M59 HydrophobicContact CH2-SD 4.46Å; W55-M59 HydrophobicContact CZ2-SD 3.69Å; W55-M59 WeakPolarHBondContact O-CG 3.47Å; W55-M59 PolarHBondContact O-N 2.91Å; G56-M59 PolarHBondContact O-N 3.11Å; L57-M59 VanDerWaalsContact C-N 3.33Å; L57-M59 PolarHBondContact O-N 3.2Å; M59-Y61 PolarHBondContact O-N 3.4Å; M59-R62 WeakPolarHBondContact O-CB 3.42Å; M59-R62 PolarHBondContact O-N 3.05Å; M59-K63 WeakPolarHBondContact O-CB 3.45Å; M59-K63 PolarHBondContact O-N 3.46Å; M59-L418 HydrophobicContact CB-CD2 3.91Å; M59-E422 HydrophobicContact CE-CB 3.87Å; M59-E422 WeakPolarHBondContact CE-O 3.44Å
60A95.5Very high91.7Very high0 Ų035.4 Ų35.40%017%0.169CC..Hα-helixtrans-62.5-41.7177.200000111.7L11 G56 L57 G58 N64 F417 L418L11-A60 HydrophobicContact CD2-CB 3.89Å; G56-A60 WeakPolarHBondContact O-CB 3.37Å; G56-A60 PolarHBondContact O-N 3.48Å; L57-A60 PolarHBondContact O-N 2.85Å; G58-A60 PolarHBondContact O-N 3.49Å; A60-N64 WeakPolarHBondContact O-CB 3.43Å; A60-N64 PolarHBondContact O-N 3.38Å; A60-N64 PolarHBondContact O-ND2 3.15Å; A60-F417 HydrophobicContact CB-CB 4.24Å; A60-L418 HydrophobicContact CB-CD2 3.98Å; A60-L418 HydrophobicContact CB-CG 4.14Å
61Y94.9Very high91.3Very high1 Ų141 Ų410%0.00419%0.194CC..Hα-helixtrans-64.3-45.1171.7-85.6-72.8000111.6L11 D12 A15 L57 G58 M59 K63 N64 A65 D70 K73 L77L11-Y61 HydrophobicContact CB-CD1 4.39Å; L11-Y61 HydrophobicContact CB-CE1 3.77Å; L11-Y61 HydrophobicContact CB-CE2 4.18Å; L11-Y61 HydrophobicContact CD1-CD1 4.14Å; L11-Y61 HydrophobicContact CD1-CE1 4.31Å; L11-Y61 PolarHBondContact O-OH 3.08Å; D12-Y61 WeakPolarHBondContact CA-OH 3.4Å; D12-Y61 PolarHBondContact N-OH 3Å; D12-Y61 VanDerWaalsContact N-OH 3.17Å; D12-Y61 PolarHBondContact OD1-OH 3.25Å; A15-Y61 HydrophobicContact CB-CE2 4.22Å; L57-Y61 HydrophobicContact CD1-CD2 3.98Å; L57-Y61 HydrophobicContact CD1-CE2 3.73Å; L57-Y61 HydrophobicContact CD2-CE2 4.2Å; L57-Y61 HydrophobicContact CG-CD2 3.92Å; L57-Y61 HydrophobicContact CG-CE2 3.8Å; L57-Y61 VanDerWaalsContact O-CD2 3.32Å; L57-Y61 WeakPolarHBondContact O-CD2 3.31Å; L57-Y61 PolarHBondContact O-N 3.5Å; G58-Y61 PolarHBondContact O-N 3.28Å; M59-Y61 PolarHBondContact O-N 3.4Å; Y61-K63 VanDerWaalsContact C-N 3.26Å; Y61-K63 PolarHBondContact O-N 3.33Å; Y61-N64 CarbonylContact O-C 3.55Å; Y61-N64 PolarHBondContact O-N 2.78Å; Y61-A65 WeakPolarHBondContact O-CA 3.47Å; Y61-A65 WeakPolarHBondContact O-CB 3.37Å; Y61-A65 PolarHBondContact O-N 3.31Å; Y61-D70 HydrophobicContact CD1-CB 4.14Å; Y61-K73 HydrophobicContact CE1-CD 4.08Å; Y61-L77 HydrophobicContact CD2-CD1 3.72Å; Y61-L77 HydrophobicContact CE2-CD1 4Å
62R91.3Very high91Very high107 Ų10743.9 Ų43.940%0.40422%0.217SC..Hα-helixtrans-56.1-41.8178.7-167.8-166.5-69.8-177.4-11.1111.8G58 M59 A74 E78 S151G58-R62 WeakPolarHBondContact O-CB 3.37Å; G58-R62 PolarHBondContact O-N 3.43Å; M59-R62 WeakPolarHBondContact O-CB 3.42Å; M59-R62 PolarHBondContact O-N 3.05Å; R62-A74 HydrophobicContact CB-CB 4.35Å; R62-E78 IonicContact CZ-OE1 3.68Å; R62-E78 IonicContact CZ-OE2 3.5Å; R62-E78 IonicContact NE-OE1 2.79Å; R62-E78 PolarHBondContact NE-OE1 2.8Å; R62-E78 IonicContact NE-OE2 3.69Å; R62-E78 IonicContact NH2-OE1 3.07Å; R62-E78 PolarHBondContact NH2-OE1 3.23Å; R62-E78 IonicContact NH2-OE2 2.91Å; R62-E78 PolarHBondContact NH2-OE2 3.49Å; R62-S151 PolarHBondContact NH1-O 2.96Å
63K89.2Confident90.7Very high99 Ų9947 Ų4743%0.4323%0.231SC..Hα-helixtrans-71.4-41.9178.6-173.7-164.3-162.4164.70113.4M59 Y61 F417 E422M59-K63 WeakPolarHBondContact O-CB 3.45Å; M59-K63 PolarHBondContact O-N 3.46Å; Y61-K63 VanDerWaalsContact C-N 3.26Å; Y61-K63 PolarHBondContact O-N 3.33Å; K63-F417 WeakPolarHBondContact CD-O 3.22Å; K63-E422 VanDerWaalsContact CD-OE1 3.24Å; K63-E422 WeakPolarHBondContact CD-OE1 3.41Å; K63-E422 WeakPolarHBondContact CE-OE1 3.45Å; K63-E422 IonicContact NZ-OE1 2.74Å; K63-E422 IonicContact NZ-OE2 3.7Å; K63-E422 PolarHBondContact NZ-OE2 2.72Å
64N84.7Confident90.6Very high47 Ų4747.2 Ų47.225%0.25123%0.233SC..Hα-helixtrans-103.316.2-171.7-60.5-76.1000113.3L11 A60 Y61 D66L11-N64 HydrophobicContact CD1-CB 4.05Å; A60-N64 WeakPolarHBondContact O-CB 3.43Å; A60-N64 PolarHBondContact O-N 3.38Å; A60-N64 PolarHBondContact O-ND2 3.15Å; Y61-N64 CarbonylContact O-C 3.55Å; Y61-N64 PolarHBondContact O-N 2.78Å; N64-D66 PolarHBondContact O-N 2.93Å; N64-D66 VanDerWaalsContact O-N 3.11Å
65A79.2Confident90.4Very high27 Ų2754.2 Ų54.222%0.22326%0.26CS..  trans-69.7107.5-175.300000111.8Y61 D70 K71Y61-A65 WeakPolarHBondContact O-CA 3.47Å; Y61-A65 WeakPolarHBondContact O-CB 3.37Å; Y61-A65 PolarHBondContact O-N 3.31Å; A65-D70 HydrophobicContact CB-CB 3.91Å; A65-K71 HydrophobicContact CB-CG 3.72Å
66D76.8Confident90.3Very high109 Ų10960 Ų6058%0.58329%0.287SS*.  trans-90.4-20.2174.8-68.6-35.5000112.2S5 N64S5-D66 VanDerWaalsContact CB-OD2 3.29Å; S5-D66 WeakPolarHBondContact CB-OD2 3.46Å; S5-D66 PolarHBondContact OG-OD2 3.04Å; N64-D66 PolarHBondContact O-N 2.93Å; N64-D66 VanDerWaalsContact O-N 3.11Å
67R81.1Confident90.3Very high92 Ų9260.7 Ų60.735%0.34729%0.291SS..SBendtrans-133159.1-175.1-59.9-178.2178.6-171.3-1.1111.8R2 E69 D70 K71R2-R67 PolarHBondContact O-NH2 2.93Å; R67-E69 HydrophobicContact CB-CB 4.5Å; R67-E69 PolarHBondContact O-N 3.28Å; R67-D70 PolarHBondContact N-OD2 3.2Å; R67-D70 WeakPolarHBondContact O-CB 3.39Å; R67-D70 PolarHBondContact O-N 3.19Å; R67-K71 PolarHBondContact O-N 3.13Å
68D83.2Confident90.3Very high126 Ų12661.7 Ų61.767%0.67430%0.296SS*.Hα-helixtrans-63.2-29173.8-64.9-30.8000112.3D70 K71 A72D68-D70 VanDerWaalsContact C-N 3.33Å; D68-D70 PolarHBondContact O-N 2.84Å; D68-K71 PolarHBondContact O-N 3.19Å; D68-K71 IonicContact OD1-NZ 3.73Å; D68-A72 WeakPolarHBondContact O-CB 3.47Å; D68-A72 PolarHBondContact O-N 3.01Å
69E85.5Confident90.3Very high113 Ų11365.2 Ų65.253%0.52831%0.312SS..Hα-helixtrans-59.3-41.1170.9-68.3176-175.500112.3R67 A72 K73R67-E69 HydrophobicContact CB-CB 4.5Å; R67-E69 PolarHBondContact O-N 3.28Å; E69-A72 PolarHBondContact O-N 2.75Å; E69-K73 WeakPolarHBondContact O-CG 3.36Å; E69-K73 PolarHBondContact O-N 3.09Å
70D87.1Confident90.4Very high3 Ų366 Ų662%0.01632%0.317CS..Hα-helixtrans-69.7-36.8-179.9-59.4-44.2000110.8R4 Y61 A65 R67 D68 K73 A74R4-D70 IonicContact CZ-OD1 2.7Å; R4-D70 IonicContact NE-OD1 3.38Å; R4-D70 IonicContact NH2-OD1 2.81Å; R4-D70 PolarHBondContact NH2-OD1 3.06Å; Y61-D70 HydrophobicContact CD1-CB 4.14Å; A65-D70 HydrophobicContact CB-CB 3.91Å; R67-D70 PolarHBondContact N-OD2 3.2Å; R67-D70 WeakPolarHBondContact O-CB 3.39Å; R67-D70 PolarHBondContact O-N 3.19Å; D68-D70 VanDerWaalsContact C-N 3.33Å; D68-D70 PolarHBondContact O-N 2.84Å; D70-K73 PolarHBondContact O-N 3.37Å; D70-A74 PolarHBondContact O-N 2.91Å
71K88.7Confident90.6Very high119 Ų11966 Ų6652%0.51732%0.317SS..Hα-helixtrans-65.9-40.4172.9-63.6179.4-175.5163.50112.2A65 R67 D68 K73 A74 Y75A65-K71 HydrophobicContact CB-CG 3.72Å; R67-K71 PolarHBondContact O-N 3.13Å; D68-K71 PolarHBondContact O-N 3.19Å; D68-K71 IonicContact OD1-NZ 3.73Å; K71-K73 VanDerWaalsContact C-N 3.34Å; K71-A74 WeakPolarHBondContact O-CB 3.48Å; K71-A74 PolarHBondContact O-N 2.88Å; K71-Y75 PolarHBondContact O-N 3.38Å
72A91.8Very high90.7Very high60 Ų6066.4 Ų66.450%0.49632%0.319SS..Hα-helixtrans-62.9-42.4176.300000111.2D68 E69 Y75 E76D68-A72 WeakPolarHBondContact O-CB 3.47Å; D68-A72 PolarHBondContact O-N 3.01Å; E69-A72 PolarHBondContact O-N 2.75Å; A72-Y75 PolarHBondContact O-N 3.49Å; A72-E76 PolarHBondContact O-N 2.99Å
73K93.1Very high91.1Very high66 Ų6665 Ų6529%0.28732%0.316SS..Hα-helixtrans-62.8-43.8173.5-71.7-178-174.7-158.60112.6D12 Y61 E69 D70 K71 Y75 E76 L77D12-K73 IonicContact OD1-NZ 2.91Å; D12-K73 PolarHBondContact OD1-NZ 3.39Å; Y61-K73 HydrophobicContact CE1-CD 4.08Å; E69-K73 WeakPolarHBondContact O-CG 3.36Å; E69-K73 PolarHBondContact O-N 3.09Å; D70-K73 PolarHBondContact O-N 3.37Å; K71-K73 VanDerWaalsContact C-N 3.34Å; K73-Y75 VanDerWaalsContact C-N 3.31Å; K73-Y75 PolarHBondContact O-N 3.4Å; K73-E76 PolarHBondContact O-N 3.2Å; K73-L77 WeakPolarHBondContact O-CG 3.42Å; K73-L77 PolarHBondContact O-N 2.9Å
74A94.9Very high91.5Very high5 Ų560.3 Ų60.34%0.04130%0.295CS..Hα-helixtrans-55.6-49.9174.900000110.6R62 D70 K71 E76 L77 E78R62-A74 HydrophobicContact CB-CB 4.35Å; D70-A74 PolarHBondContact O-N 2.91Å; K71-A74 WeakPolarHBondContact O-CB 3.48Å; K71-A74 PolarHBondContact O-N 2.88Å; A74-E76 PolarHBondContact O-N 2.96Å; A74-L77 PolarHBondContact O-N 2.96Å; A74-E78 WeakPolarHBondContact O-CB 3.07Å; A74-E78 WeakPolarHBondContact O-CG 3.42Å; A74-E78 PolarHBondContact O-N 2.92Å
75Y95Very high92.2Very high146 Ų14658 Ų5857%0.57328%0.283SS*.Hα-helixtrans-60.2-44.5178.5-178.4-99000112.6K71 A72 K73 L77 E78 Q79K71-Y75 PolarHBondContact O-N 3.38Å; A72-Y75 PolarHBondContact O-N 3.49Å; K73-Y75 VanDerWaalsContact C-N 3.31Å; K73-Y75 PolarHBondContact O-N 3.4Å; Y75-L77 PolarHBondContact O-N 2.9Å; Y75-E78 PolarHBondContact O-N 3.49Å; Y75-Q79 HydrophobicContact CD1-CG 4.08Å; Y75-Q79 HydrophobicContact CE1-CG 3.64Å; Y75-Q79 HydrophobicContact CE2-CG 4.15Å; Y75-Q79 WeakPolarHBondContact O-CG 3Å; Y75-Q79 PolarHBondContact O-N 3.36Å
76E96.3Very high93.1Very high122 Ų12260.1 Ų60.157%0.5729%0.285SS*.Hα-helixtrans-60-46.8177.5-174.5-178176.800112.1A72 K73 A74 E78 Q79 N80A72-E76 PolarHBondContact O-N 2.99Å; K73-E76 PolarHBondContact O-N 3.2Å; A74-E76 PolarHBondContact O-N 2.96Å; E76-E78 PolarHBondContact O-N 2.63Å; E76-Q79 PolarHBondContact O-N 3.13Å; E76-N80 PolarHBondContact O-N 3.4Å; E76-N80 PolarHBondContact O-ND2 3.23Å
77L97.8Very high94.1Very high16 Ų1655.2 Ų55.28%0.08426%0.261CS..Hα-helixtrans-61.1-44.7176.5-68.6168.1000111.2L23 V54 L57 Y61 K73 A74 Y75 Q79 N80 V81L23-L77 HydrophobicContact CD1-CD2 4.12Å; V54-L77 HydrophobicContact CG1-CB 4.16Å; V54-L77 HydrophobicContact CG1-CD2 3.88Å; L57-L77 HydrophobicContact CB-CD1 4.32Å; L57-L77 HydrophobicContact CD2-CD1 3.92Å; L57-L77 HydrophobicContact CD2-CD2 4.47Å; L57-L77 HydrophobicContact CG-CD1 3.8Å; Y61-L77 HydrophobicContact CD2-CD1 3.72Å; Y61-L77 HydrophobicContact CE2-CD1 4Å; K73-L77 WeakPolarHBondContact O-CG 3.42Å; K73-L77 PolarHBondContact O-N 2.9Å; A74-L77 PolarHBondContact O-N 2.96Å; Y75-L77 PolarHBondContact O-N 2.9Å; L77-Q79 VanDerWaalsContact C-N 3.34Å; L77-Q79 PolarHBondContact O-N 3.29Å; L77-N80 WeakPolarHBondContact O-CB 3.36Å; L77-N80 PolarHBondContact O-N 3.07Å; L77-V81 WeakPolarHBondContact O-CG2 3.49Å; L77-V81 PolarHBondContact O-N 2.75Å; L77-V81 VanDerWaalsContact O-N 3.13Å
78E97.1Very high94.9Very high20 Ų2050.9 Ų50.99%0.09325%0.245CC..Hα-helixtrans-62.5-39.1177.1-71.2171.2-164.200112.4R62 A74 Y75 E76 N80 V81 V82 L153R62-E78 IonicContact CZ-OE1 3.68Å; R62-E78 IonicContact CZ-OE2 3.5Å; R62-E78 IonicContact NE-OE1 2.79Å; R62-E78 PolarHBondContact NE-OE1 2.8Å; R62-E78 IonicContact NE-OE2 3.69Å; R62-E78 IonicContact NH2-OE1 3.07Å; R62-E78 PolarHBondContact NH2-OE1 3.23Å; R62-E78 IonicContact NH2-OE2 2.91Å; R62-E78 PolarHBondContact NH2-OE2 3.49Å; A74-E78 WeakPolarHBondContact O-CB 3.07Å; A74-E78 WeakPolarHBondContact O-CG 3.42Å; A74-E78 PolarHBondContact O-N 2.92Å; Y75-E78 PolarHBondContact O-N 3.49Å; E76-E78 PolarHBondContact O-N 2.63Å; E78-N80 VanDerWaalsContact C-N 3.33Å; E78-N80 PolarHBondContact O-N 3.17Å; E78-V81 WeakPolarHBondContact O-CB 3.45Å; E78-V81 PolarHBondContact O-N 2.95Å; E78-V82 WeakPolarHBondContact O-CG2 3.5Å; E78-V82 PolarHBondContact O-N 3.17Å; E78-L153 HydrophobicContact CB-CD2 3.82Å; E78-L153 HydrophobicContact CG-CD2 3.88Å
79Q97.5Very high95.7Very high74 Ų7445 Ų4535%0.34621%0.213SC..Hα-helixtrans-66.6-33.9174.8-68.6-49.1-56.300112.3Y75 E76 L77 V81 V82 K83Y75-Q79 HydrophobicContact CD1-CG 4.08Å; Y75-Q79 HydrophobicContact CE1-CG 3.64Å; Y75-Q79 HydrophobicContact CE2-CG 4.15Å; Y75-Q79 WeakPolarHBondContact O-CG 3Å; Y75-Q79 PolarHBondContact O-N 3.36Å; E76-Q79 PolarHBondContact O-N 3.13Å; L77-Q79 VanDerWaalsContact C-N 3.34Å; L77-Q79 PolarHBondContact O-N 3.29Å; Q79-V81 VanDerWaalsContact C-N 3.3Å; Q79-V81 PolarHBondContact O-N 3.49Å; Q79-V82 PolarHBondContact O-N 3.16Å; Q79-K83 VanDerWaalsContact O-CB 3.23Å; Q79-K83 WeakPolarHBondContact O-CB 3.41Å; Q79-K83 PolarHBondContact O-N 3.37Å
80N98.3Very high96.2Very high35 Ų3543.9 Ų43.919%0.18721%0.208CC..Hα-helixtrans-63.5-37.4172-71.3-35.6000111.9L23 Q26 V54 E76 L77 E78 L84L23-N80 HydrophobicContact CD2-CB 4.15Å; Q26-N80 PolarHBondContact NE2-O 3.46Å; V54-N80 HydrophobicContact CG1-CB 4.38Å; E76-N80 PolarHBondContact O-N 3.4Å; E76-N80 PolarHBondContact O-ND2 3.23Å; L77-N80 WeakPolarHBondContact O-CB 3.36Å; L77-N80 PolarHBondContact O-N 3.07Å; E78-N80 VanDerWaalsContact C-N 3.33Å; E78-N80 PolarHBondContact O-N 3.17Å; N80-L84 PolarHBondContact O-N 2.82Å
81V98.6Very high96.8Very high0 Ų043.8 Ų43.80%021%0.207CC..Hα-helixtrans-65.1-52.2173.9-178.90000110.8I51 V54 W55 L77 E78 Q79 K83 L84 M85 M148 L153I51-V81 HydrophobicContact CD1-CG2 4.47Å; I51-V81 HydrophobicContact CG1-CB 4.19Å; I51-V81 HydrophobicContact CG1-CG1 4.21Å; I51-V81 HydrophobicContact CG1-CG2 3.97Å; V54-V81 HydrophobicContact CB-CG2 4.19Å; V54-V81 HydrophobicContact CG1-CG2 3.96Å; W55-V81 HydrophobicContact CB-CG1 4.28Å; W55-V81 HydrophobicContact CB-CG2 3.82Å; L77-V81 WeakPolarHBondContact O-CG2 3.49Å; L77-V81 PolarHBondContact O-N 2.75Å; L77-V81 VanDerWaalsContact O-N 3.13Å; E78-V81 WeakPolarHBondContact O-CB 3.45Å; E78-V81 PolarHBondContact O-N 2.95Å; Q79-V81 VanDerWaalsContact C-N 3.3Å; Q79-V81 PolarHBondContact O-N 3.49Å; V81-K83 VanDerWaalsContact C-N 3.26Å; V81-K83 PolarHBondContact O-N 2.79Å; V81-L84 PolarHBondContact O-N 3.45Å; V81-M85 PolarHBondContact O-N 3.18Å; V81-M148 HydrophobicContact CG1-CE 3.7Å; V81-M148 HydrophobicContact CG1-SD 3.49Å; V81-M148 WeakPolarHBondContact CG1-SD 3.46Å; V81-L153 HydrophobicContact CB-CD1 4.21Å; V81-L153 HydrophobicContact CG1-CD1 3.86Å
82V98.4Very high97.2Very high8 Ų838.1 Ų38.15%0.04818%0.183CC..Hα-helixtrans-56.6-43.6179.5170.50000110.6E78 Q79 L84 M85 R86 L153 I155E78-V82 WeakPolarHBondContact O-CG2 3.5Å; E78-V82 PolarHBondContact O-N 3.17Å; Q79-V82 PolarHBondContact O-N 3.16Å; V82-L84 PolarHBondContact O-N 3.29Å; V82-M85 PolarHBondContact O-N 3.37Å; V82-R86 HydrophobicContact CG1-CG 4.28Å; V82-R86 WeakPolarHBondContact O-CB 3.46Å; V82-R86 VanDerWaalsContact O-CG 3.31Å; V82-R86 WeakPolarHBondContact O-CG 3.01Å; V82-R86 PolarHBondContact O-N 2.87Å; V82-L153 HydrophobicContact CG2-CB 4.24Å; V82-L153 HydrophobicContact CG2-CD1 4.39Å; V82-I155 HydrophobicContact CG2-CG1 4.38Å
83K98.2Very high97.5Very high78 Ų7837.5 Ų37.534%0.33917%0.17SC..Hα-helixtrans-61.9-44.5179.9-165.8177.9-174.2158.80112.4P28 V29 Q79 V81 R86 G87P28-K83 VanDerWaalsContact O-CE 3.31Å; P28-K83 WeakPolarHBondContact O-CE 3.26Å; P28-K83 PolarHBondContact O-NZ 3.14Å; V29-K83 WeakPolarHBondContact O-CE 3.46Å; Q79-K83 VanDerWaalsContact O-CB 3.23Å; Q79-K83 WeakPolarHBondContact O-CB 3.41Å; Q79-K83 PolarHBondContact O-N 3.37Å; V81-K83 VanDerWaalsContact C-N 3.26Å; V81-K83 PolarHBondContact O-N 2.79Å; K83-R86 PolarHBondContact O-N 3.36Å; K83-G87 PolarHBondContact O-N 2.89Å
84L98.6Very high97.7Very high0 Ų040.8 Ų40.80%018%0.181CC..Hα-helixtrans-62.5-49.2176.5-178147.9000111.7G31 L33 N47 I51 N80 V81 V82 R86 G87 L88G31-L84 WeakPolarHBondContact O-CA 3.45Å; G31-L84 WeakPolarHBondContact O-CB 3.24Å; G31-L84 WeakPolarHBondContact O-CD1 3.12Å; G31-L84 WeakPolarHBondContact O-CG 3.46Å; L33-L84 HydrophobicContact CB-CD1 4.49Å; L33-L84 HydrophobicContact CD1-CD1 3.57Å; L33-L84 HydrophobicContact CG-CD1 3.71Å; N47-L84 HydrophobicContact CB-CD1 4.23Å; N47-L84 HydrophobicContact CB-CD2 4.18Å; I51-L84 HydrophobicContact CB-CD1 4.01Å; I51-L84 HydrophobicContact CB-CD2 4.27Å; I51-L84 HydrophobicContact CD1-CB 4.39Å; I51-L84 HydrophobicContact CD1-CD1 3.95Å; I51-L84 HydrophobicContact CG1-CB 4.31Å; I51-L84 HydrophobicContact CG1-CD1 4.06Å; I51-L84 HydrophobicContact CG1-CD2 4.49Å; I51-L84 HydrophobicContact CG2-CD2 4.11Å; N80-L84 PolarHBondContact O-N 2.82Å; V81-L84 PolarHBondContact O-N 3.45Å; V82-L84 PolarHBondContact O-N 3.29Å; L84-R86 VanDerWaalsContact C-N 3.29Å; L84-R86 PolarHBondContact O-N 2.95Å; L84-G87 WeakPolarHBondContact O-CA 3.44Å; L84-G87 PolarHBondContact O-N 2.91Å; L84-L88 HydrophobicContact CD2-CD1 3.84Å; L84-L88 HydrophobicContact CD2-CG 4.35Å; L84-L88 PolarHBondContact O-N 3.37Å
85M98.7Very high97.8Very high0 Ų041.3 Ų41.30%018%0.182CC..Hα-helixtrans-62-39.3-179.1-68.8-61-72.600111.5I48 V81 V82 L88 L89 F141 F144 L145 M148 I155I48-M85 HydrophobicContact CG1-SD 4.38Å; V81-M85 PolarHBondContact O-N 3.18Å; V82-M85 PolarHBondContact O-N 3.37Å; M85-L88 PolarHBondContact O-N 3.1Å; M85-L89 PolarHBondContact O-N 3.21Å; M85-F141 HydrophobicContact CE-CD2 3.61Å; M85-F141 HydrophobicContact CE-CE2 3.61Å; M85-F141 HydrophobicContact SD-CD2 4.36Å; M85-F141 HydrophobicContact SD-CE2 4.38Å; M85-F144 HydrophobicContact CE-CB 4.46Å; M85-L145 HydrophobicContact CE-CB 4.32Å; M85-M148 HydrophobicContact CE-SD 4.39Å; M85-M148 HydrophobicContact CG-SD 3.81Å; M85-M148 HydrophobicContact SD-SD 4.24Å; M85-I155 HydrophobicContact CB-CD1 4.09Å; M85-I155 HydrophobicContact CB-CG1 4.48Å; M85-I155 HydrophobicContact CB-CG2 3.9Å; M85-I155 HydrophobicContact CG-CD1 4.15Å
86R98.2Very high97.9Very high70 Ų7035.5 Ų35.526%0.26416%0.162SC..Hα-helixtrans-67.9-35.2172.8-72.1-169.96372.46.7112.9V82 K83 L84 L88 L89 H90 I155 F157 E161V82-R86 HydrophobicContact CG1-CG 4.28Å; V82-R86 WeakPolarHBondContact O-CB 3.46Å; V82-R86 VanDerWaalsContact O-CG 3.31Å; V82-R86 WeakPolarHBondContact O-CG 3.01Å; V82-R86 PolarHBondContact O-N 2.87Å; K83-R86 PolarHBondContact O-N 3.36Å; L84-R86 VanDerWaalsContact C-N 3.29Å; L84-R86 PolarHBondContact O-N 2.95Å; R86-L88 VanDerWaalsContact C-N 3.35Å; R86-L89 PolarHBondContact O-N 3.27Å; R86-H90 WeakPolarHBondContact O-CB 3.48Å; R86-H90 PolarHBondContact O-N 2.93Å; R86-I155 HydrophobicContact CG-CG2 4.15Å; R86-I155 WeakPolarHBondContact CG-O 3.29Å; R86-I155 PolarHBondContact NH1-O 3.45Å; R86-F157 VanDerWaalsContact CD-CE2 3.49Å; R86-E161 IonicContact CZ-OE1 3.84Å; R86-E161 IonicContact NH1-OE1 2.66Å; R86-E161 PolarHBondContact NH1-OE1 3.29Å; R86-E161 VanDerWaalsContact NH1-OE1 3.15Å; R86-E161 IonicContact NH1-OE2 2.85Å; R86-E161 PolarHBondContact NH1-OE2 3.23Å; R86-E161 IonicContact NH2-OE1 3.74Å; R86-E161 PolarHBondContact NH2-OE1 2.82Å
87G98.3Very high97.9Very high7 Ų734.6 Ų34.67%0.07216%0.161CC..Hα-helixtrans-58.9-45.5172.200000112.1T30 K83 L84 H90 C91T30-G87 WeakPolarHBondContact O-CA 3.35Å; K83-G87 PolarHBondContact O-N 2.89Å; L84-G87 WeakPolarHBondContact O-CA 3.44Å; L84-G87 PolarHBondContact O-N 2.91Å; G87-H90 PolarHBondContact O-N 3.06Å; G87-C91 PolarHBondContact O-N 2.94Å; G87-C91 PolarHBondContact O-SG 2.87Å
88L98.5Very high97.9Very high0 Ų035.3 Ų35.30%016%0.163CC..Hα-helixtrans-65.3-44.2175-67.7177000112.2L32 V44 N47 I48 L84 M85 R86 H90 C91 M92 F141L32-L88 HydrophobicContact CD2-CD2 3.59Å; L32-L88 HydrophobicContact CD2-CG 3.89Å; V44-L88 HydrophobicContact CG2-CD2 4.22Å; N47-L88 HydrophobicContact CB-CD1 4.14Å; N47-L88 HydrophobicContact CB-CD2 4.33Å; I48-L88 HydrophobicContact CD1-CD1 4.25Å; I48-L88 HydrophobicContact CG1-CD1 3.73Å; L84-L88 HydrophobicContact CD2-CD1 3.84Å; L84-L88 HydrophobicContact CD2-CG 4.35Å; L84-L88 PolarHBondContact O-N 3.37Å; M85-L88 PolarHBondContact O-N 3.1Å; R86-L88 VanDerWaalsContact C-N 3.35Å; L88-H90 VanDerWaalsContact C-N 3.29Å; L88-H90 PolarHBondContact O-N 3.44Å; L88-C91 WeakPolarHBondContact O-CB 3.43Å; L88-C91 PolarHBondContact O-N 2.85Å; L88-M92 WeakPolarHBondContact O-CG 3.34Å; L88-M92 PolarHBondContact O-N 3Å; L88-F141 HydrophobicContact CB-CD2 4.15Å; L88-F141 HydrophobicContact CB-CE2 3.98Å; L88-F141 HydrophobicContact CD1-CD2 4.22Å
89L98.5Very high97.9Very high2 Ų234.3 Ų34.31%0.0116%0.159CC..Hα-helixtrans-55.4-46.3174.6177.961000111.1M85 R86 C91 M92 M93 F141 I156 E161 F164 I165M85-L89 PolarHBondContact O-N 3.21Å; R86-L89 PolarHBondContact O-N 3.27Å; L89-C91 PolarHBondContact O-N 2.88Å; L89-M92 PolarHBondContact O-N 3.21Å; L89-M93 HydrophobicContact CD1-CG 4Å; L89-M93 HydrophobicContact CD1-SD 3.99Å; L89-M93 HydrophobicContact CD2-SD 4.37Å; L89-M93 HydrophobicContact CG-CG 4.28Å; L89-M93 HydrophobicContact CG-SD 3.85Å; L89-M93 WeakPolarHBondContact O-CB 3.35Å; L89-M93 WeakPolarHBondContact O-CG 3.46Å; L89-M93 PolarHBondContact O-N 3.23Å; L89-F141 HydrophobicContact CB-CZ 4.08Å; L89-F141 HydrophobicContact CD1-CZ 4.43Å; L89-I156 HydrophobicContact CD2-CD1 3.61Å; L89-E161 HydrophobicContact CD2-CG 4.19Å; L89-F164 HydrophobicContact CD1-CD1 3.79Å; L89-F164 HydrophobicContact CD1-CE1 3.98Å; L89-I165 HydrophobicContact CD1-CD1 3.88Å
90H97.9Very high97.8Very high90 Ų9032.7 Ų32.742%0.41715%0.151SC..Hα-helixtrans-62.7-40.3178.3-17470.7000112.5R86 G87 L88 M92 R94R86-H90 WeakPolarHBondContact O-CB 3.48Å; R86-H90 PolarHBondContact O-N 2.93Å; G87-H90 PolarHBondContact O-N 3.06Å; L88-H90 VanDerWaalsContact C-N 3.29Å; L88-H90 PolarHBondContact O-N 3.44Å; H90-M92 VanDerWaalsContact C-N 3.34Å; H90-M92 PolarHBondContact O-N 3Å; H90-R94 PolarHBondContact NE2-NE 3.35Å; H90-R94 PolarHBondContact NE2-NH2 3.35Å; H90-R94 WeakPolarHBondContact O-CG 3.47Å; H90-R94 PolarHBondContact O-N 2.94Å; H90-R94 VanDerWaalsContact O-N 3.16Å
91C98.1Very high97.7Very high1 Ų136.7 Ų36.71%0.00717%0.167CC..Hα-helixtrans-59.4-43.1172.7-67.60000112.3G87 L88 L89 Q95 Y116 C121G87-C91 PolarHBondContact O-N 2.94Å; G87-C91 PolarHBondContact O-SG 2.87Å; L88-C91 WeakPolarHBondContact O-CB 3.43Å; L88-C91 PolarHBondContact O-N 2.85Å; L89-C91 PolarHBondContact O-N 2.88Å; C91-Q95 PolarHBondContact O-NE2 2.57Å; C91-Y116 HydrophobicContact CB-CD1 3.7Å; C91-Y116 HydrophobicContact CB-CD2 3.68Å; C91-Y116 HydrophobicContact CB-CE1 3.72Å; C91-Y116 HydrophobicContact CB-CE2 3.71Å; C91-Y116 HydrophobicContact CB-CG 3.66Å; C91-C121 WeakPolarHBondContact SG-CB 3.5Å; C91-C121 VanDerWaalsContact SG-SG 3.69Å
92M98.1Very high97.5Very high1 Ų136.8 Ų36.81%0.00517%0.167CC..Hα-helixtrans-71.7-43.5180-66.3179.2179.200111.8V44 L88 L89 H90 R94 Q95 L112 F141 F164 L168V44-M92 HydrophobicContact CG1-CE 3.8Å; V44-M92 HydrophobicContact CG2-CE 4.12Å; L88-M92 WeakPolarHBondContact O-CG 3.34Å; L88-M92 PolarHBondContact O-N 3Å; L89-M92 PolarHBondContact O-N 3.21Å; H90-M92 VanDerWaalsContact C-N 3.34Å; H90-M92 PolarHBondContact O-N 3Å; M92-R94 PolarHBondContact O-N 3.17Å; M92-Q95 CarbonylContact O-C 3.53Å; M92-Q95 WeakPolarHBondContact O-CA 3.24Å; M92-Q95 PolarHBondContact O-N 2.95Å; M92-L112 HydrophobicContact CG-CD1 4.37Å; M92-F141 HydrophobicContact CE-CB 4.1Å; M92-F141 HydrophobicContact CE-CD1 4.27Å; M92-F141 HydrophobicContact CE-CG 4.05Å; M92-F141 HydrophobicContact SD-CD1 4.01Å; M92-F141 HydrophobicContact SD-CE1 4.25Å; M92-F141 HydrophobicContact SD-CG 4.34Å; M92-F164 VanDerWaalsContact C-CZ 3.44Å; M92-F164 HydrophobicContact CB-CE1 3.87Å; M92-F164 HydrophobicContact CB-CZ 3.79Å; M92-F164 WeakPolarHBondContact O-CZ 3.44Å; M92-L168 HydrophobicContact SD-CD1 4.02Å
93M97.7Very high97.1Very high47 Ų4736.5 Ų36.523%0.23217%0.166CC..Hα-helixtrans-62.7-30.1178.9-73.8-178.376.100112.8L89 Q95 V96 E161 F164 M492L89-M93 HydrophobicContact CD1-CG 4Å; L89-M93 HydrophobicContact CD1-SD 3.99Å; L89-M93 HydrophobicContact CD2-SD 4.37Å; L89-M93 HydrophobicContact CG-CG 4.28Å; L89-M93 HydrophobicContact CG-SD 3.85Å; L89-M93 WeakPolarHBondContact O-CB 3.35Å; L89-M93 WeakPolarHBondContact O-CG 3.46Å; L89-M93 PolarHBondContact O-N 3.23Å; M93-Q95 PolarHBondContact O-N 2.79Å; M93-V96 WeakPolarHBondContact O-CB 3.29Å; M93-V96 PolarHBondContact O-N 2.68Å; M93-E161 HydrophobicContact CE-CG 4.05Å; M93-E161 HydrophobicContact SD-CG 3.9Å; M93-F164 HydrophobicContact CB-CE1 4.49Å; M93-F164 HydrophobicContact CB-CZ 4.41Å; M93-F164 HydrophobicContact CG-CB 4.45Å; M93-F164 HydrophobicContact CG-CD1 3.48Å; M93-F164 VanDerWaalsContact CG-CD1 3.48Å; M93-F164 HydrophobicContact CG-CD2 4.02Å; M93-F164 HydrophobicContact CG-CE1 3.59Å; M93-F164 HydrophobicContact CG-CE2 4.13Å; M93-F164 HydrophobicContact CG-CG 3.71Å; M93-F164 HydrophobicContact CG-CZ 3.93Å; M93-F164 HydrophobicContact SD-CD1 4.45Å; M93-M492 HydrophobicContact CE-SD 3.97Å
94R96.8Very high96.5Very high135 Ų13537.7 Ų37.751%0.50917%0.172SC..THydrogen-bonded Turntrans-63.9-14.5171.8-79.3179.4165.1-166.23.1114.2H90 M92 T120H90-R94 PolarHBondContact NE2-NE 3.35Å; H90-R94 PolarHBondContact NE2-NH2 3.35Å; H90-R94 WeakPolarHBondContact O-CG 3.47Å; H90-R94 PolarHBondContact O-N 2.94Å; H90-R94 VanDerWaalsContact O-N 3.16Å; M92-R94 PolarHBondContact O-N 3.17Å; R94-T120 PolarHBondContact NH1-O 2.83Å
95Q97Very high96Very high15 Ų1540.9 Ų40.97%0.0719%0.191CC..THydrogen-bonded Turntrans-112.529.4176.7-66.4170.596.400111.6C91 M92 M93 D97 K98 V99 L112 H113 Y116C91-Q95 PolarHBondContact O-NE2 2.57Å; M92-Q95 CarbonylContact O-C 3.53Å; M92-Q95 WeakPolarHBondContact O-CA 3.24Å; M92-Q95 PolarHBondContact O-N 2.95Å; M93-Q95 PolarHBondContact O-N 2.79Å; Q95-D97 PolarHBondContact O-N 3.01Å; Q95-K98 HydrophobicContact CB-CB 4.34Å; Q95-K98 HydrophobicContact CB-CD 4.26Å; Q95-K98 HydrophobicContact CB-CG 4.34Å; Q95-K98 HydrophobicContact CG-CD 4.42Å; Q95-K98 WeakPolarHBondContact O-CA 3.4Å; Q95-K98 VanDerWaalsContact O-CB 3.27Å; Q95-K98 WeakPolarHBondContact O-CB 3.5Å; Q95-K98 PolarHBondContact O-N 3.08Å; Q95-V99 PolarHBondContact O-N 2.99Å; Q95-L112 HydrophobicContact CB-CD2 3.62Å; Q95-H113 PolarHBondContact OE1-CD2 3.21Å; Q95-H113 VanDerWaalsContact OE1-N 3.12Å; Q95-Y116 PolarHBondContact NE2-OH 2.95Å
96V97.4Very high95.5Very high24 Ų2443.1 Ų43.115%0.14520%0.202CC..Hα-helixtrans-55-36-17867.10000113.7M93 K98 V99 E100 F164 M492 L494M93-V96 WeakPolarHBondContact O-CB 3.29Å; M93-V96 PolarHBondContact O-N 2.68Å; V96-K98 PolarHBondContact O-N 3.47Å; V96-V99 WeakPolarHBondContact O-CB 3.47Å; V96-V99 PolarHBondContact O-N 2.93Å; V96-V99 VanDerWaalsContact O-N 3.12Å; V96-E100 PolarHBondContact O-N 3.34Å; V96-F164 HydrophobicContact CB-CE2 4.23Å; V96-F164 HydrophobicContact CG2-CD2 4.03Å; V96-F164 HydrophobicContact CG2-CE2 4.12Å; V96-M492 HydrophobicContact CG2-CB 4.16Å; V96-L494 HydrophobicContact CG2-CD1 4.05Å; V96-L494 HydrophobicContact CG2-CD2 3.63Å; V96-L494 HydrophobicContact CG2-CG 3.88Å
97D97Very high95Very high104 Ų10442 Ų4256%0.55621%0.205SC*.Hα-helixtrans-60.8-30.9176.1-65.3-37.7000112.5Q95 K101Q95-D97 PolarHBondContact O-N 3.01Å; D97-K101 WeakPolarHBondContact O-CG 3.43Å; D97-K101 PolarHBondContact O-N 2.89Å; D97-K101 VanDerWaalsContact O-N 3.16Å
98K97.1Very high94.6Very high30 Ų3043.7 Ų43.713%0.1321%0.214CC..Hα-helixtrans-72-43.3175.4-67.2-164.8167.8-159.20111.5Q95 V96 E100 K101 F102 D110 S111 H113 D127Q95-K98 HydrophobicContact CB-CB 4.34Å; Q95-K98 HydrophobicContact CB-CD 4.26Å; Q95-K98 HydrophobicContact CB-CG 4.34Å; Q95-K98 HydrophobicContact CG-CD 4.42Å; Q95-K98 WeakPolarHBondContact O-CA 3.4Å; Q95-K98 VanDerWaalsContact O-CB 3.27Å; Q95-K98 WeakPolarHBondContact O-CB 3.5Å; Q95-K98 PolarHBondContact O-N 3.08Å; V96-K98 PolarHBondContact O-N 3.47Å; K98-E100 VanDerWaalsContact C-N 3.27Å; K98-E100 PolarHBondContact O-N 3.37Å; K98-K101 PolarHBondContact O-N 3.48Å; K98-F102 VanDerWaalsContact O-CB 3.28Å; K98-F102 WeakPolarHBondContact O-CB 3.37Å; K98-F102 PolarHBondContact O-N 2.67Å; K98-D110 WeakPolarHBondContact CB-O 3.39Å; K98-S111 WeakPolarHBondContact CD-O 3.4Å; K98-S111 PolarHBondContact NZ-O 3.48Å; K98-H113 PolarHBondContact NZ-CD2 3.3Å; K98-H113 VanDerWaalsContact NZ-CD2 3.29Å; K98-H113 PolarHBondContact NZ-NE2 2.98Å; K98-D127 IonicContact NZ-OD1 2.68Å; K98-D127 PolarHBondContact NZ-OD1 2.68Å; K98-D127 IonicContact NZ-OD2 2.79Å; K98-D127 PolarHBondContact NZ-OD2 3.22Å
99V97Very high94.3Very high0 Ų050.3 Ų50.30%024%0.243CC..Hα-helixtrans-57.3-44.8174.9-178.50000110.2Q95 V96 K103 L112 F164 N167 L168 Y171Q95-V99 PolarHBondContact O-N 2.99Å; V96-V99 WeakPolarHBondContact O-CB 3.47Å; V96-V99 PolarHBondContact O-N 2.93Å; V96-V99 VanDerWaalsContact O-N 3.12Å; V99-K103 WeakPolarHBondContact O-CG 3.32Å; V99-K103 PolarHBondContact O-N 3.37Å; V99-L112 HydrophobicContact CG2-CD1 4.14Å; V99-L112 HydrophobicContact CG2-CD2 3.8Å; V99-L112 HydrophobicContact CG2-CG 4.15Å; V99-F164 HydrophobicContact CG2-CE2 3.94Å; V99-F164 HydrophobicContact CG2-CZ 4.15Å; V99-N167 HydrophobicContact CG1-CB 4.03Å; V99-L168 HydrophobicContact CG1-CD2 4.27Å; V99-L168 HydrophobicContact CG2-CD2 3.94Å; V99-Y171 HydrophobicContact CG1-CD2 4.45Å
100E96.4Very high94Very high39 Ų3951.9 Ų51.918%0.18225%0.251CS..Hα-helixtrans-60.2-48.6177.2-177.358.5-152.300112.3V96 K98 K103 L494 S495V96-E100 PolarHBondContact O-N 3.34Å; K98-E100 VanDerWaalsContact C-N 3.27Å; K98-E100 PolarHBondContact O-N 3.37Å; E100-K103 IonicContact OE1-NZ 3.56Å; E100-K103 WeakPolarHBondContact OE2-CE 3.35Å; E100-K103 IonicContact OE2-NZ 3.5Å; E100-K103 PolarHBondContact OE2-NZ 2.93Å; E100-L494 HydrophobicContact CB-CD2 4.28Å; E100-L494 WeakPolarHBondContact OE2-CA 3.45Å; E100-S495 WeakPolarHBondContact OE1-CB 3.23Å; E100-S495 PolarHBondContact OE1-OG 3.46Å; E100-S495 PolarHBondContact OE2-N 2.96Å; E100-S495 PolarHBondContact OE2-OG 3.12Å
101K94.9Very high93.9Very high120 Ų12047.6 Ų47.652%0.52223%0.231SC..Hα-helixtrans-64.9-44.8178.9-71.4174.4-176.31800112.6D97 K98 K103 H104 T105 D110D97-K101 WeakPolarHBondContact O-CG 3.43Å; D97-K101 PolarHBondContact O-N 2.89Å; D97-K101 VanDerWaalsContact O-N 3.16Å; K98-K101 PolarHBondContact O-N 3.48Å; K101-K103 VanDerWaalsContact C-N 3.29Å; K101-K103 PolarHBondContact O-N 3.39Å; K101-H104 PolarHBondContact O-N 3.42Å; K101-T105 PolarHBondContact O-N 2.81Å; K101-T105 PolarHBondContact O-OG1 3.18Å; K101-D110 HydrophobicContact CB-CB 4.08Å
102F94.1Very high93.8Very high1 Ų147.8 Ų47.80%0.00423%0.232CC..Hα-helixtrans-62.9-32.3-173.8-169.7-93.2000113.2K98 H104 T105 Q106 S107 D110 L133 Y171 V178K98-F102 VanDerWaalsContact O-CB 3.28Å; K98-F102 WeakPolarHBondContact O-CB 3.37Å; K98-F102 PolarHBondContact O-N 2.67Å; F102-H104 PolarHBondContact O-N 3.05Å; F102-T105 PolarHBondContact O-N 3.13Å; F102-Q106 HydrophobicContact CE1-CG 4.48Å; F102-Q106 VanDerWaalsContact CE2-C 3.43Å; F102-Q106 HydrophobicContact CZ-CB 4.4Å; F102-Q106 PolarHBondContact O-N 2.92Å; F102-S107 WeakPolarHBondContact CD2-O 3.49Å; F102-S107 WeakPolarHBondContact CE2-O 3.14Å; F102-D110 HydrophobicContact CB-CB 4.38Å; F102-D110 HydrophobicContact CD2-CB 4.35Å; F102-L133 HydrophobicContact CE2-CD1 3.66Å; F102-L133 HydrophobicContact CE2-CD2 4.22Å; F102-L133 HydrophobicContact CZ-CD1 3.52Å; F102-L133 HydrophobicContact CZ-CD2 4.38Å; F102-Y171 HydrophobicContact CB-CD2 3.82Å; F102-Y171 HydrophobicContact CB-CE2 3.59Å; F102-Y171 HydrophobicContact CD1-CD1 4.23Å; F102-Y171 AromaticContact CD1-CD2 3.31Å; F102-Y171 HydrophobicContact CD1-CD2 3.31Å; F102-Y171 HydrophobicContact CD1-CE1 4.14Å; F102-Y171 AromaticContact CD1-CE2 3.22Å; F102-Y171 HydrophobicContact CD1-CE2 3.22Å; F102-Y171 AromaticContact CD1-CG 3.82Å; F102-Y171 HydrophobicContact CD1-CG 3.82Å; F102-Y171 AromaticContact CD1-CZ 3.65Å; F102-Y171 HydrophobicContact CD2-CE2 4.04Å; F102-Y171 HydrophobicContact CE1-CD1 4.22Å; F102-Y171 HydrophobicContact CE1-CD2 4.1Å; F102-Y171 AromaticContact CE1-CE1 3.98Å; F102-Y171 HydrophobicContact CE1-CE1 3.98Å; F102-Y171 AromaticContact CE1-CE2 3.87Å; F102-Y171 HydrophobicContact CE1-CE2 3.87Å; F102-Y171 HydrophobicContact CE1-CG 4.26Å; F102-Y171 AromaticContact CE1-CZ 3.79Å; F102-Y171 AromaticContact CG-CD2 3.76Å; F102-Y171 HydrophobicContact CG-CD2 3.76Å; F102-Y171 AromaticContact CG-CE2 3.32Å; F102-Y171 HydrophobicContact CG-CE2 3.32Å; F102-Y171 AromaticContact CG-CZ 3.93Å; F102-V178 HydrophobicContact CZ-CG1 3.99Å
103K90.5Very high93.7Very high3 Ų347.9 Ų47.91%0.01323%0.233CC..Hα-helixtrans-52.9-26.8173.8-75.4-175.9-56.8178.20113.4V99 E100 K101 N167 F170 S495 G496 P498 R500V99-K103 WeakPolarHBondContact O-CG 3.32Å; V99-K103 PolarHBondContact O-N 3.37Å; E100-K103 IonicContact OE1-NZ 3.56Å; E100-K103 WeakPolarHBondContact OE2-CE 3.35Å; E100-K103 IonicContact OE2-NZ 3.5Å; E100-K103 PolarHBondContact OE2-NZ 2.93Å; K101-K103 VanDerWaalsContact C-N 3.29Å; K101-K103 PolarHBondContact O-N 3.39Å; K103-N167 PolarHBondContact NZ-OD1 2.96Å; K103-F170 HydrophobicContact CD-CB 3.89Å; K103-F170 HydrophobicContact CD-CD2 4.24Å; K103-F170 HydrophobicContact CG-CB 4.12Å; K103-S495 PolarHBondContact NZ-OG 3.29Å; K103-G496 PolarHBondContact NZ-O 2.97Å; K103-P498 HydrophobicContact CB-CG 3.81Å; K103-P498 HydrophobicContact CD-CG 4.41Å; K103-R500 PolarHBondContact O-NH2 3.31Å
104H86.4Confident93.6Very high103 Ų10345.9 Ų45.948%0.47722%0.223SC..Hα-helixtrans-104.3-47.6179.1-61.7-77.7000112.3K101 F102K101-H104 PolarHBondContact O-N 3.42Å; F102-H104 PolarHBondContact O-N 3.05Å
105T87.8Confident93.5Very high66 Ų6640 Ų4041%0.40520%0.201SC..Hα-helixtrans-82.9-32.8-170.566.70000113.7K101 F102 S107 D110K101-T105 PolarHBondContact O-N 2.81Å; K101-T105 PolarHBondContact O-OG1 3.18Å; F102-T105 PolarHBondContact O-N 3.13Å; T105-S107 PolarHBondContact O-N 3.48Å; T105-S107 PolarHBondContact OG1-N 3.05Å; T105-D110 VanDerWaalsContact CB-OD2 3.27Å; T105-D110 WeakPolarHBondContact CB-OD2 2.88Å; T105-D110 WeakPolarHBondContact CG2-OD2 3.48Å; T105-D110 WeakPolarHBondContact OG1-CB 3.12Å; T105-D110 PolarHBondContact OG1-OD2 3.35Å
106Q88.7Confident93.4Very high48 Ų4839.3 Ų39.322%0.22420%0.198CC..  trans49.524.5-171.6-67.2162.448.500113.3F102 V178F102-Q106 HydrophobicContact CE1-CG 4.48Å; F102-Q106 VanDerWaalsContact CE2-C 3.43Å; F102-Q106 HydrophobicContact CZ-CB 4.4Å; F102-Q106 PolarHBondContact O-N 2.92Å; Q106-V178 HydrophobicContact CB-CG2 4.11Å; Q106-V178 HydrophobicContact CG-CG2 3.97Å
107S87.4Confident93.4Very high45 Ų4540.4 Ų40.432%0.31520%0.204SC..  trans-86.3147.9-175.1-174.30000111.5F102 T105 K109 D110 S111F102-S107 WeakPolarHBondContact CD2-O 3.49Å; F102-S107 WeakPolarHBondContact CE2-O 3.14Å; T105-S107 PolarHBondContact O-N 3.48Å; T105-S107 PolarHBondContact OG1-N 3.05Å; S107-K109 PolarHBondContact O-N 2.99Å; S107-D110 PolarHBondContact O-N 2.96Å; S107-S111 PolarHBondContact O-N 2.79Å
108T90.1Very high93.3Very high44 Ų4436.2 Ų36.227%0.2718%0.182SC..G310 helixtrans-56-34.4173.753.10000112.6D110 S111 L133 Y181 P195T108-D110 PolarHBondContact O-N 3.45Å; T108-S111 WeakPolarHBondContact O-CB 3.29Å; T108-S111 PolarHBondContact O-N 2.93Å; T108-S111 PolarHBondContact O-OG 2.92Å; T108-L133 HydrophobicContact CG2-CB 4.27Å; T108-L133 HydrophobicContact CG2-CD2 3.84Å; T108-Y181 HydrophobicContact CG2-CE2 3.87Å; T108-P195 HydrophobicContact CG2-CG 4.16Å
109K90.6Very high93.1Very high139 Ų13937.5 Ų37.560%0.60420%0.198SC*.G310 helixtrans-69.2-32.8-179.3-65.6-177.3178.8-179.50113.6S107 S111S107-K109 PolarHBondContact O-N 2.99Å; K109-S111 VanDerWaalsContact C-N 3.3Å
110D93.4Very high93Very high34 Ų3440.9 Ų40.918%0.18222%0.219CC..G310 helixtrans-90.53.2-179.4-61.2-50.8000112.1K98 K101 F102 T105 S107 T108K98-D110 WeakPolarHBondContact CB-O 3.39Å; K101-D110 HydrophobicContact CB-CB 4.08Å; F102-D110 HydrophobicContact CB-CB 4.38Å; F102-D110 HydrophobicContact CD2-CB 4.35Å; T105-D110 VanDerWaalsContact CB-OD2 3.27Å; T105-D110 WeakPolarHBondContact CB-OD2 2.88Å; T105-D110 WeakPolarHBondContact CG2-OD2 3.48Å; T105-D110 WeakPolarHBondContact OG1-CB 3.12Å; T105-D110 PolarHBondContact OG1-OD2 3.35Å; S107-D110 PolarHBondContact O-N 2.96Å; T108-D110 PolarHBondContact O-N 3.45Å
111S95.4Very high92.9Very high1 Ų139.4 Ų39.41%0.00721%0.212CC..SBendtrans-74.3152-178.471.60000113.2K98 S107 T108 K109 L133 Y171K98-S111 WeakPolarHBondContact CD-O 3.4Å; K98-S111 PolarHBondContact NZ-O 3.48Å; S107-S111 PolarHBondContact O-N 2.79Å; T108-S111 WeakPolarHBondContact O-CB 3.29Å; T108-S111 PolarHBondContact O-N 2.93Å; T108-S111 PolarHBondContact O-OG 2.92Å; K109-S111 VanDerWaalsContact C-N 3.3Å; S111-L133 PolarHBondContact OG-N 3.09Å; S111-Y171 WeakPolarHBondContact CA-OH 3.48Å; S111-Y171 WeakPolarHBondContact CB-OH 3.46Å
112L96.9Very high92.9Very high4 Ų436.2 Ų36.22%0.02121%0.205CC..PPolyproline II helixtrans-62.1142.5169.8-72.7176000110.7M92 Q95 V99 T138 L168 Y171M92-L112 HydrophobicContact CG-CD1 4.37Å; Q95-L112 HydrophobicContact CB-CD2 3.62Å; V99-L112 HydrophobicContact CG2-CD1 4.14Å; V99-L112 HydrophobicContact CG2-CD2 3.8Å; V99-L112 HydrophobicContact CG2-CG 4.15Å; L112-T138 HydrophobicContact CD1-CG2 4.49Å; L112-L168 HydrophobicContact CD1-CD2 3.79Å; L112-Y171 HydrophobicContact CD1-CE2 4.41Å; L112-Y171 HydrophobicContact CG-CE2 4.09Å; L112-Y171 PolarHBondContact N-OH 3.03Å
113H96.3Very high92.9Very high3 Ų339.5 Ų39.51%0.01423%0.226CC..PPolyproline II helixtrans-67.2136173.1-78.3-149000111.8Q95 K98 Y116 T123 V125 D127 H132Q95-H113 PolarHBondContact OE1-CD2 3.21Å; Q95-H113 VanDerWaalsContact OE1-N 3.12Å; K98-H113 PolarHBondContact NZ-CD2 3.3Å; K98-H113 VanDerWaalsContact NZ-CD2 3.29Å; K98-H113 PolarHBondContact NZ-NE2 2.98Å; H113-Y116 HydrophobicContact CB-CE1 4Å; H113-Y116 WeakPolarHBondContact O-CE2 3.41Å; H113-Y116 PolarHBondContact O-OH 3.18Å; H113-T123 HydrophobicContact CB-CG2 4.25Å; H113-T123 VanDerWaalsContact ND1-CB 3.32Å; H113-T123 WeakPolarHBondContact ND1-CB 3.26Å; H113-T123 WeakPolarHBondContact ND1-CG2 3.38Å; H113-V125 PolarHBondContact CE1-O 3.19Å; H113-D127 IonicContact CD2-OD1 3.17Å; H113-D127 IonicContact CE1-OD1 3.15Å; H113-D127 IonicContact NE2-OD1 3.38Å; H113-D127 PolarHBondContact NE2-OD1 3.36Å; H113-H132 AromaticContact CD2-CD2 3.81Å; H113-H132 AromaticContact CD2-CG 3.89Å; H113-H132 AromaticContact CD2-NE2 3.9Å; H113-H132 AromaticContact CE1-CD2 3.99Å; H113-H132 AromaticContact CE1-CE1 3.79Å; H113-H132 AromaticContact CE1-NE2 3.42Å; H113-H132 PolarHBondContact CE1-NE2 2.93Å; H113-H132 AromaticContact CG-CE1 3.58Å; H113-H132 AromaticContact CG-ND1 3.74Å; H113-H132 AromaticContact CG-NE2 3.85Å; H113-H132 AromaticContact ND1-CE1 3.43Å; H113-H132 PolarHBondContact ND1-CE1 3.26Å; H113-H132 AromaticContact ND1-NE2 3.57Å; H113-H132 AromaticContact NE2-CD2 3.73Å; H113-H132 AromaticContact NE2-NE2 3.65Å
114A93.9Very high93.1Very high5 Ų541.5 Ų41.54%0.04124%0.238CC..SBendtrans-77.2-16.4175.700000114.8V44 H132 Q134V44-A114 WeakPolarHBondContact CG2-O 3.47Å; V44-A114 PolarHBondContact N-O 3.16Å; A114-H132 PolarHBondContact N-ND1 3.42Å; A114-Q134 HydrophobicContact CB-CB 4.36Å; A114-Q134 VanDerWaalsContact CB-CD 3.46Å; A114-Q134 HydrophobicContact CB-CG 4.15Å
115K94.7Very high93.4Very high11 Ų1138.4 Ų38.45%0.04823%0.226CC..EExtended strand (participates in β ladder)trans-140.2146.6-174.963.2178.8-177.1-1780113A42 W43 V124 W130A42-K115 CarbonylContact O-C 3.6Å; A42-K115 VanDerWaalsContact O-CA 3.27Å; A42-K115 WeakPolarHBondContact O-CA 3.44Å; W43-K115 HydrophobicContact CD2-CB 3.96Å; W43-K115 HydrophobicContact CD2-CD 4.47Å; W43-K115 HydrophobicContact CG-CB 4.08Å; W43-K115 HydrophobicContact CH2-CD 3.95Å; W43-K115 HydrophobicContact CZ2-CB 4.38Å; W43-K115 HydrophobicContact CZ2-CD 3.37Å; W43-K115 HydrophobicContact CZ2-CG 4.49Å; K115-V124 HydrophobicContact CD-CG2 3.96Å; K115-V124 HydrophobicContact CG-CG2 3.71Å; K115-W130 HydrophobicContact CD-CD2 4.48Å; K115-W130 VanDerWaalsContact NZ-CD2 3.32Å
116Y96.3Very high93.6Very high1 Ų136.4 Ų36.40%0.00422%0.219CC..EExtended strand (participates in β ladder)trans-136.6158.8-171.8-59.1-74.2000112.8D41 A42 V44 C91 Q95 H113 T118 S122D41-Y116 CarbonylContact C-O 3.57Å; D41-Y116 WeakPolarHBondContact CA-O 2.93Å; A42-Y116 PolarHBondContact N-O 3.34Å; A42-Y116 PolarHBondContact O-N 3.02Å; V44-Y116 HydrophobicContact CG2-CD2 4.16Å; V44-Y116 HydrophobicContact CG2-CE2 3.57Å; C91-Y116 HydrophobicContact CB-CD1 3.7Å; C91-Y116 HydrophobicContact CB-CD2 3.68Å; C91-Y116 HydrophobicContact CB-CE1 3.72Å; C91-Y116 HydrophobicContact CB-CE2 3.71Å; C91-Y116 HydrophobicContact CB-CG 3.66Å; Q95-Y116 PolarHBondContact NE2-OH 2.95Å; H113-Y116 HydrophobicContact CB-CE1 4Å; H113-Y116 WeakPolarHBondContact O-CE2 3.41Å; H113-Y116 PolarHBondContact O-OH 3.18Å; Y116-T118 PolarHBondContact O-N 2.95Å; Y116-S122 WeakPolarHBondContact CA-O 3.22Å
117N95.9Very high93.6Very high48 Ų4837.6 Ų37.626%0.25723%0.227SC..EExtended strand (participates in β ladder)trans-71.7122.6170.9-176.5-87.5000109.5A119 T120 C121 S122 V124N117-A119 VanDerWaalsContact C-N 3.28Å; N117-A119 PolarHBondContact O-N 3.4Å; N117-A119 PolarHBondContact OD1-N 3.38Å; N117-A119 VanDerWaalsContact OD1-N 3.11Å; N117-T120 VanDerWaalsContact CB-OG1 3.28Å; N117-T120 WeakPolarHBondContact CB-OG1 3.36Å; N117-T120 PolarHBondContact O-N 3.45Å; N117-T120 PolarHBondContact OD1-N 3.06Å; N117-T120 PolarHBondContact OD1-OG1 3.48Å; N117-C121 WeakPolarHBondContact O-CA 3.5Å; N117-C121 PolarHBondContact O-N 3.38Å; N117-S122 PolarHBondContact N-O 2.89Å; N117-V124 HydrophobicContact CB-CG1 3.67Å
118T94.9Very high93.6Very high15 Ų1542 Ų429%0.09225%0.247CC..THydrogen-bonded Turntrans-59-33.1-176.942.20000114.4T30 L32 K40 A42 Y116T30-T118 WeakPolarHBondContact CB-O 3.29Å; T30-T118 VanDerWaalsContact CG2-O 3.29Å; T30-T118 WeakPolarHBondContact CG2-O 3.44Å; T30-T118 PolarHBondContact OG1-O 3.45Å; L32-T118 HydrophobicContact CB-CG2 4.18Å; K40-T118 WeakPolarHBondContact O-CB 3.47Å; K40-T118 WeakPolarHBondContact O-CG2 3.37Å; K40-T118 PolarHBondContact O-OG1 2.97Å; A42-T118 HydrophobicContact CB-CG2 3.66Å; Y116-T118 PolarHBondContact O-N 2.95Å
119A93.6Very high93.4Very high58 Ų5845.7 Ų45.748%0.47926%0.261SS..THydrogen-bonded Turntrans-88.8-33.6-17600000113.3T30 N117T30-A119 WeakPolarHBondContact CG2-O 3.35Å; N117-A119 VanDerWaalsContact C-N 3.28Å; N117-A119 PolarHBondContact O-N 3.4Å; N117-A119 PolarHBondContact OD1-N 3.38Å; N117-A119 VanDerWaalsContact OD1-N 3.11Å
120T94.4Very high93.3Very high71 Ų7142.4 Ų42.444%0.43625%0.245SC..THydrogen-bonded Turntrans-110.7-13.8-169.660.20000114.3R94 N117 S122R94-T120 PolarHBondContact NH1-O 2.83Å; N117-T120 VanDerWaalsContact CB-OG1 3.28Å; N117-T120 WeakPolarHBondContact CB-OG1 3.36Å; N117-T120 PolarHBondContact O-N 3.45Å; N117-T120 PolarHBondContact OD1-N 3.06Å; N117-T120 PolarHBondContact OD1-OG1 3.48Å; T120-S122 PolarHBondContact O-N 3.34Å; T120-S122 PolarHBondContact OG1-N 3.46Å
121C95.3Very high93Very high7 Ų741.2 Ų41.25%0.04724%0.241CC..  trans60.820.4-172-60.50000114.1T30 C91 N117T30-C121 VanDerWaalsContact CG2-SG 3.59Å; C91-C121 WeakPolarHBondContact SG-CB 3.5Å; C91-C121 VanDerWaalsContact SG-SG 3.69Å; N117-C121 WeakPolarHBondContact O-CA 3.5Å; N117-C121 PolarHBondContact O-N 3.38Å
122S95.1Very high92.9Very high53 Ų5341.3 Ų41.337%0.37124%0.241SC..  trans-89.3160.5176.4-61.40000111.4Y116 N117 T120Y116-S122 WeakPolarHBondContact CA-O 3.22Å; N117-S122 PolarHBondContact N-O 2.89Å; T120-S122 PolarHBondContact O-N 3.34Å; T120-S122 PolarHBondContact OG1-N 3.46Å
123T94.4Very high92.8Very high70 Ų7041.1 Ų41.143%0.42924%0.24SC..BIsolated β-bridgetrans-61.5146.9167.5560000110.1H113H113-T123 HydrophobicContact CB-CG2 4.25Å; H113-T123 VanDerWaalsContact ND1-CB 3.32Å; H113-T123 WeakPolarHBondContact ND1-CB 3.26Å; H113-T123 WeakPolarHBondContact ND1-CG2 3.38Å
124V94.3Very high92.8Very high45 Ų4541.2 Ų41.227%0.27324%0.24SC..  trans-109.8-14.8-174.6-690000113.8K115 N117K115-V124 HydrophobicContact CD-CG2 3.96Å; K115-V124 HydrophobicContact CG-CG2 3.71Å; N117-V124 HydrophobicContact CB-CG1 3.67Å
125V92.1Very high93Very high38 Ų3841.1 Ų41.123%0.2324%0.239CC..SBendtrans-142170.6179-65.30000109H113 Q129 W130 H132H113-V125 PolarHBondContact CE1-O 3.19Å; V125-Q129 HydrophobicContact CB-CB 4.18Å; V125-W130 HydrophobicContact CG2-CB 3.99Å; V125-H132 VanDerWaalsContact CG2-CE1 3.4Å; V125-H132 WeakPolarHBondContact CG2-CE1 3.35Å; V125-H132 VanDerWaalsContact CG2-NE2 3.28Å; V125-H132 WeakPolarHBondContact CG2-NE2 3.49Å
126G91.1Very high93.1Very high25 Ų2541 Ų4126%0.25824%0.24SC..  trans-76.8165.1174.300000113.6D128 Q129 H132G126-D128 PolarHBondContact O-N 2.65Å; G126-Q129 PolarHBondContact O-N 3.47Å; G126-Q129 VanDerWaalsContact O-N 3.16Å; G126-H132 PolarHBondContact O-NE2 3.02Å
127D89.9Confident93.2Very high72 Ų7241.1 Ų41.139%0.38524%0.24SC..THydrogen-bonded Turntrans-61.9-25.9-173.4-68.2-13.6000114.8K98 H113K98-D127 IonicContact NZ-OD1 2.68Å; K98-D127 PolarHBondContact NZ-OD1 2.68Å; K98-D127 IonicContact NZ-OD2 2.79Å; K98-D127 PolarHBondContact NZ-OD2 3.22Å; H113-D127 IonicContact CD2-OD1 3.17Å; H113-D127 IonicContact CE1-OD1 3.15Å; H113-D127 IonicContact NE2-OD1 3.38Å; H113-D127 PolarHBondContact NE2-OD1 3.36Å
128D86.8Confident93.3Very high137 Ų13739.2 Ų39.273%0.73323%0.23SC*.THydrogen-bonded Turntrans-105.6-0.6-178.362.3-31000113.5G126G126-D128 PolarHBondContact O-N 2.65Å
129Q86.4Confident93.4Very high122 Ų12238.5 Ų38.557%0.5723%0.226SC*.SBendtrans-91.8-5.8-173.2-63.2-174.2-27.200113.6V125 G126V125-Q129 HydrophobicContact CB-CB 4.18Å; G126-Q129 PolarHBondContact O-N 3.47Å; G126-Q129 VanDerWaalsContact O-N 3.16Å
130W87.4Confident93.7Very high70 Ų7035.9 Ų35.927%0.26520%0.204SC..SBendtrans-150.4156.2-178.9-163.6-99.2000111.3W43 K115 V125 H132 E185W43-W130 HydrophobicContact CZ2-CH2 4.44Å; W43-W130 AromaticContact CZ2-CZ2 3.93Å; W43-W130 HydrophobicContact CZ2-CZ2 3.93Å; K115-W130 HydrophobicContact CD-CD2 4.48Å; K115-W130 VanDerWaalsContact NZ-CD2 3.32Å; V125-W130 HydrophobicContact CG2-CB 3.99Å; W130-H132 AromaticContact CD1-ND1 3.9Å; W130-H132 PolarHBondContact O-N 2.92Å; W130-E185 WeakPolarHBondContact CZ2-OE2 3.47Å; W130-E185 PolarHBondContact NE1-OE1 3.27Å
131G88.4Confident93.9Very high9 Ų932.5 Ų32.59%0.09318%0.183CC..  trans-71.168.317100000112.1Q134 Y181G131-Q134 WeakPolarHBondContact O-CG 3.49Å; G131-Q134 PolarHBondContact O-NE2 3.27Å; G131-Y181 VanDerWaalsContact C-CD2 3.43Å; G131-Y181 VanDerWaalsContact CA-CG 3.41Å
132H93Very high94Very high4 Ų432.1 Ų32.12%0.01918%0.181CC..  trans-73.1-34.5-173.2-75-55.2000114.1H113 A114 V125 G126 W130 Q134H113-H132 AromaticContact CD2-CD2 3.81Å; H113-H132 AromaticContact CD2-CG 3.89Å; H113-H132 AromaticContact CD2-NE2 3.9Å; H113-H132 AromaticContact CE1-CD2 3.99Å; H113-H132 AromaticContact CE1-CE1 3.79Å; H113-H132 AromaticContact CE1-NE2 3.42Å; H113-H132 PolarHBondContact CE1-NE2 2.93Å; H113-H132 AromaticContact CG-CE1 3.58Å; H113-H132 AromaticContact CG-ND1 3.74Å; H113-H132 AromaticContact CG-NE2 3.85Å; H113-H132 AromaticContact ND1-CE1 3.43Å; H113-H132 PolarHBondContact ND1-CE1 3.26Å; H113-H132 AromaticContact ND1-NE2 3.57Å; H113-H132 AromaticContact NE2-CD2 3.73Å; H113-H132 AromaticContact NE2-NE2 3.65Å; A114-H132 PolarHBondContact N-ND1 3.42Å; V125-H132 VanDerWaalsContact CG2-CE1 3.4Å; V125-H132 WeakPolarHBondContact CG2-CE1 3.35Å; V125-H132 VanDerWaalsContact CG2-NE2 3.28Å; V125-H132 WeakPolarHBondContact CG2-NE2 3.49Å; G126-H132 PolarHBondContact O-NE2 3.02Å; W130-H132 AromaticContact CD1-ND1 3.9Å; W130-H132 PolarHBondContact O-N 2.92Å; H132-Q134 VanDerWaalsContact C-N 3.31Å; H132-Q134 PolarHBondContact O-N 2.89Å
133L95.4Very high94.2Very high0 Ų029.6 Ų29.60%016%0.163CC..  trans-66.894177.2-178.654.3000109.1F102 T108 S111 V135 V178 A179 D180 Y181F102-L133 HydrophobicContact CE2-CD1 3.66Å; F102-L133 HydrophobicContact CE2-CD2 4.22Å; F102-L133 HydrophobicContact CZ-CD1 3.52Å; F102-L133 HydrophobicContact CZ-CD2 4.38Å; T108-L133 HydrophobicContact CG2-CB 4.27Å; T108-L133 HydrophobicContact CG2-CD2 3.84Å; S111-L133 PolarHBondContact OG-N 3.09Å; L133-V135 HydrophobicContact CD1-CG2 4.09Å; L133-V178 HydrophobicContact CD1-CG1 4.29Å; L133-V178 HydrophobicContact CD2-CG1 3.96Å; L133-V178 HydrophobicContact CG-CG1 4.47Å; L133-A179 VanDerWaalsContact CD2-O 3.31Å; L133-A179 WeakPolarHBondContact CD2-O 3.37Å; L133-D180 HydrophobicContact CD2-CB 4.49Å; L133-D180 HydrophobicContact CG-CB 3.94Å; L133-D180 WeakPolarHBondContact O-CB 3.45Å; L133-Y181 HydrophobicContact CB-CD2 4.07Å; L133-Y181 HydrophobicContact CB-CE2 4.31Å; L133-Y181 PolarHBondContact O-N 3.5Å
134Q96.2Very high94.4Very high4 Ų426.3 Ų26.32%0.01914%0.143CC..  trans-128.791.6-179.7-71.3-177.924.100107.7A114 G131 H132 D136 A137 E185A114-Q134 HydrophobicContact CB-CB 4.36Å; A114-Q134 VanDerWaalsContact CB-CD 3.46Å; A114-Q134 HydrophobicContact CB-CG 4.15Å; G131-Q134 WeakPolarHBondContact O-CG 3.49Å; G131-Q134 PolarHBondContact O-NE2 3.27Å; H132-Q134 VanDerWaalsContact C-N 3.31Å; H132-Q134 PolarHBondContact O-N 2.89Å; Q134-D136 VanDerWaalsContact C-N 3.26Å; Q134-D136 WeakPolarHBondContact CB-OD1 3.28Å; Q134-D136 PolarHBondContact O-N 2.84Å; Q134-A137 HydrophobicContact CB-CB 4.04Å; Q134-A137 PolarHBondContact O-N 3.01Å; Q134-E185 PolarHBondContact NE2-OE1 3.16Å
135V96.8Very high94.6Very high3 Ų324.2 Ų24.22%0.01813%0.13CC..Hα-helixtrans-69-32.3-177176.20000109.9L133 A137 S139 I172 A175 V178 D180 A205L133-V135 HydrophobicContact CD1-CG2 4.09Å; V135-A137 VanDerWaalsContact C-N 3.34Å; V135-A137 PolarHBondContact O-N 3.11Å; V135-S139 VanDerWaalsContact O-CB 3.25Å; V135-S139 WeakPolarHBondContact O-CB 3.15Å; V135-S139 PolarHBondContact O-N 3.21Å; V135-S139 PolarHBondContact O-OG 2.88Å; V135-I172 HydrophobicContact CG1-CG2 4.44Å; V135-A175 HydrophobicContact CG1-CB 3.77Å; V135-V178 HydrophobicContact CG2-CG1 4.03Å; V135-D180 HydrophobicContact CG2-CB 4.09Å; V135-D180 PolarHBondContact N-OD2 3.12Å; V135-A205 HydrophobicContact CG1-CB 4.21Å
136D97.4Very high94.9Very high10 Ų1022.4 Ų22.45%0.05312%0.119CC..Hα-helixtrans-55.3-45.617367.7-55.3000112.3R45 Q134 S139 L140 M183R45-D136 IonicContact CZ-OD2 3.45Å; R45-D136 IonicContact NH1-OD1 2.78Å; R45-D136 IonicContact NH1-OD2 3.89Å; R45-D136 PolarHBondContact NH1-OD2 3.18Å; Q134-D136 VanDerWaalsContact C-N 3.26Å; Q134-D136 WeakPolarHBondContact CB-OD1 3.28Å; Q134-D136 PolarHBondContact O-N 2.84Å; D136-S139 PolarHBondContact O-N 3.11Å; D136-L140 VanDerWaalsContact O-CB 3.26Å; D136-L140 WeakPolarHBondContact O-CB 3.27Å; D136-L140 PolarHBondContact O-N 2.98Å; D136-M183 WeakPolarHBondContact OD2-CA 3.1Å; D136-M183 WeakPolarHBondContact OD2-CB 3.37Å
137A97.5Very high95.2Very high2 Ų221.4 Ų21.42%0.01711%0.108CC..Hα-helixtrans-67.7-43.3-174.700000112.6V44 R45 Q134 V135 S139 L140 F141V44-A137 HydrophobicContact CB-CB 4.19Å; V44-A137 HydrophobicContact CG1-CB 4.17Å; R45-A137 HydrophobicContact CB-CB 4.35Å; Q134-A137 HydrophobicContact CB-CB 4.04Å; Q134-A137 PolarHBondContact O-N 3.01Å; V135-A137 VanDerWaalsContact C-N 3.34Å; V135-A137 PolarHBondContact O-N 3.11Å; A137-S139 VanDerWaalsContact C-N 3.34Å; A137-L140 PolarHBondContact O-N 3.34Å; A137-F141 PolarHBondContact O-N 2.97Å; A137-F141 VanDerWaalsContact O-N 3.14Å
138T97.9Very high95.6Very high8 Ų818 Ų185%0.0499%0.089CC..Hα-helixtrans-67.5-39176.2-54.30000110.8L112 F141 L142 L168 Y171 I172L112-T138 HydrophobicContact CD1-CG2 4.49Å; T138-F141 WeakPolarHBondContact O-CB 3.49Å; T138-F141 PolarHBondContact O-N 3.37Å; T138-L142 PolarHBondContact O-N 3.35Å; T138-L142 VanDerWaalsContact O-N 3.16Å; T138-L168 HydrophobicContact CG2-CD2 4.41Å; T138-Y171 HydrophobicContact CG2-CD1 4.33Å; T138-I172 HydrophobicContact CG2-CG2 3.96Å
139S98.6Very high96.1Very high0 Ų011.7 Ų11.70%06%0.056CC..Hα-helixtrans-66.6-41.9177.1-57.20000111.9V135 D136 A137 F141 L142 L143 A205 A208V135-S139 VanDerWaalsContact O-CB 3.25Å; V135-S139 WeakPolarHBondContact O-CB 3.15Å; V135-S139 PolarHBondContact O-N 3.21Å; V135-S139 PolarHBondContact O-OG 2.88Å; D136-S139 PolarHBondContact O-N 3.11Å; A137-S139 VanDerWaalsContact C-N 3.34Å; S139-F141 VanDerWaalsContact C-N 3.27Å; S139-F141 PolarHBondContact O-N 2.59Å; S139-L142 PolarHBondContact O-N 2.87Å; S139-L142 VanDerWaalsContact O-N 3.16Å; S139-L143 WeakPolarHBondContact O-CB 3.43Å; S139-L143 PolarHBondContact O-N 2.82Å; S139-A205 VanDerWaalsContact OG-CA 3.24Å; S139-A205 WeakPolarHBondContact OG-CA 3.25Å; S139-A205 WeakPolarHBondContact OG-CB 3.46Å; S139-A208 WeakPolarHBondContact O-CB 3.48Å
140L98.6Very high96.6Very high3 Ų37.9 Ų7.92%0.0165%0.046CC..Hα-helixtrans-60.4-38.4175.5-17370.7000111.5R45 I48 Y49 D136 A137 F144 M204 P266R45-L140 HydrophobicContact CB-CD2 4.43Å; R45-L140 HydrophobicContact CG-CD2 3.98Å; I48-L140 HydrophobicContact CB-CD2 4.01Å; I48-L140 HydrophobicContact CB-CG 4.3Å; I48-L140 HydrophobicContact CD1-CB 4.31Å; I48-L140 HydrophobicContact CD1-CD2 4.22Å; I48-L140 HydrophobicContact CD1-CG 4.17Å; I48-L140 HydrophobicContact CG2-CD2 4.05Å; I48-L140 HydrophobicContact CG2-CG 3.89Å; Y49-L140 HydrophobicContact CD2-CD2 3.69Å; Y49-L140 HydrophobicContact CE1-CD1 4.35Å; Y49-L140 HydrophobicContact CE2-CD1 4.34Å; Y49-L140 HydrophobicContact CE2-CD2 3.43Å; Y49-L140 VanDerWaalsContact CE2-CD2 3.43Å; Y49-L140 HydrophobicContact CG-CD2 4.36Å; D136-L140 VanDerWaalsContact O-CB 3.26Å; D136-L140 WeakPolarHBondContact O-CB 3.27Å; D136-L140 PolarHBondContact O-N 2.98Å; A137-L140 PolarHBondContact O-N 3.34Å; L140-F144 HydrophobicContact CD1-CD2 3.75Å; L140-F144 HydrophobicContact CD1-CE2 3.65Å; L140-F144 HydrophobicContact CG-CD2 4.13Å; L140-F144 HydrophobicContact CG-CE2 4.44Å; L140-F144 PolarHBondContact O-N 3.18Å; L140-M204 HydrophobicContact CB-CG 4.15Å; L140-M204 HydrophobicContact CB-SD 4.29Å; L140-M204 HydrophobicContact CD1-CE 3.95Å; L140-M204 HydrophobicContact CD1-SD 3.68Å; L140-P266 HydrophobicContact CD1-CG 4.16Å
141F98.8Very high96.9Very high0 Ų05.2 Ų5.20%04%0.038CC..Hα-helixtrans-60.3-48.6174.2173.6-101000111.2V44 I48 M85 L88 L89 M92 A137 T138 S139 F144 L145 I165 L168V44-F141 HydrophobicContact CG1-CB 4.49Å; I48-F141 VanDerWaalsContact CD1-CA 3.45Å; I48-F141 HydrophobicContact CD1-CB 3.71Å; I48-F141 HydrophobicContact CD1-CD2 4.43Å; M85-F141 HydrophobicContact CE-CD2 3.61Å; M85-F141 HydrophobicContact CE-CE2 3.61Å; M85-F141 HydrophobicContact SD-CD2 4.36Å; M85-F141 HydrophobicContact SD-CE2 4.38Å; L88-F141 HydrophobicContact CB-CD2 4.15Å; L88-F141 HydrophobicContact CB-CE2 3.98Å; L88-F141 HydrophobicContact CD1-CD2 4.22Å; L89-F141 HydrophobicContact CB-CZ 4.08Å; L89-F141 HydrophobicContact CD1-CZ 4.43Å; M92-F141 HydrophobicContact CE-CB 4.1Å; M92-F141 HydrophobicContact CE-CD1 4.27Å; M92-F141 HydrophobicContact CE-CG 4.05Å; M92-F141 HydrophobicContact SD-CD1 4.01Å; M92-F141 HydrophobicContact SD-CE1 4.25Å; M92-F141 HydrophobicContact SD-CG 4.34Å; A137-F141 PolarHBondContact O-N 2.97Å; A137-F141 VanDerWaalsContact O-N 3.14Å; T138-F141 WeakPolarHBondContact O-CB 3.49Å; T138-F141 PolarHBondContact O-N 3.37Å; S139-F141 VanDerWaalsContact C-N 3.27Å; S139-F141 PolarHBondContact O-N 2.59Å; F141-F144 PolarHBondContact O-N 3.34Å; F141-L145 HydrophobicContact CE1-CD2 4.3Å; F141-L145 WeakPolarHBondContact O-CB 3.27Å; F141-L145 PolarHBondContact O-N 2.91Å; F141-I165 HydrophobicContact CE1-CD1 3.96Å; F141-L168 HydrophobicContact CD1-CD1 4.49Å; F141-L168 HydrophobicContact CE1-CD1 4.4Å
142L98.8Very high97.2Very high0 Ų07.6 Ų7.60%06%0.062CC..Hα-helixtrans-66.5-40.6179.3-68.8176.9000112.4T138 S139 F144 L145 A146 I165 L168 I172 A208 I212T138-L142 PolarHBondContact O-N 3.35Å; T138-L142 VanDerWaalsContact O-N 3.16Å; S139-L142 PolarHBondContact O-N 2.87Å; S139-L142 VanDerWaalsContact O-N 3.16Å; L142-F144 PolarHBondContact O-N 3Å; L142-L145 HydrophobicContact CD2-CD2 4.34Å; L142-L145 PolarHBondContact O-N 3.3Å; L142-A146 WeakPolarHBondContact O-CB 3.47Å; L142-A146 PolarHBondContact O-N 2.81Å; L142-I165 HydrophobicContact CD2-CD1 4.24Å; L142-I165 HydrophobicContact CD2-CG2 3.9Å; L142-L168 HydrophobicContact CD1-CB 4.11Å; L142-L168 HydrophobicContact CD2-CB 4.22Å; L142-L168 HydrophobicContact CD2-CD1 4.29Å; L142-I172 HydrophobicContact CD1-CD1 3.66Å; L142-I172 HydrophobicContact CD1-CG1 4.07Å; L142-A208 HydrophobicContact CB-CB 4.02Å; L142-I212 HydrophobicContact CB-CD1 4.48Å; L142-I212 HydrophobicContact CD2-CD1 3.92Å
143L98.7Very high97.3Very high0 Ų07.8 Ų7.80%06%0.063CC..Hα-helixtrans-58.5-49.2175.7175.360.4000111.2S139 A146 Q147 M204 A207 A208 A211 P266 A267S139-L143 WeakPolarHBondContact O-CB 3.43Å; S139-L143 PolarHBondContact O-N 2.82Å; L143-A146 WeakPolarHBondContact O-CB 3.19Å; L143-A146 PolarHBondContact O-N 2.93Å; L143-Q147 HydrophobicContact CD1-CG 4.31Å; L143-Q147 WeakPolarHBondContact O-CG 3.32Å; L143-Q147 PolarHBondContact O-N 2.89Å; L143-M204 HydrophobicContact CD2-SD 3.67Å; L143-A207 HydrophobicContact CD1-CB 4.48Å; L143-A207 HydrophobicContact CD2-CB 4.36Å; L143-A208 HydrophobicContact CB-CB 4.22Å; L143-A211 HydrophobicContact CD1-CB 3.61Å; L143-P266 HydrophobicContact CD2-CB 4.27Å; L143-P266 HydrophobicContact CD2-CG 4.37Å; L143-A267 HydrophobicContact CD2-CB 4.28Å
144F98.6Very high97.2Very high1 Ų114.4 Ų14.40%0.0049%0.088CC..Hα-helixtrans-78.7-26.5-179.9-83.6-71.8000113.7I48 L52 W55 M85 L140 F141 L142 A146 Q147 M148 F265 P266I48-F144 HydrophobicContact CG2-CB 3.91Å; I48-F144 HydrophobicContact CG2-CD2 3.48Å; I48-F144 VanDerWaalsContact CG2-CD2 3.48Å; I48-F144 HydrophobicContact CG2-CE2 4.27Å; I48-F144 HydrophobicContact CG2-CG 3.88Å; L52-F144 HydrophobicContact CD1-CE1 4Å; L52-F144 HydrophobicContact CD1-CE2 3.97Å; L52-F144 HydrophobicContact CD1-CZ 3.44Å; L52-F144 VanDerWaalsContact CD1-CZ 3.44Å; L52-F144 HydrophobicContact CD2-CD1 3.5Å; L52-F144 HydrophobicContact CD2-CD2 4.27Å; L52-F144 HydrophobicContact CD2-CE1 3.26Å; L52-F144 HydrophobicContact CD2-CE2 4.05Å; L52-F144 HydrophobicContact CD2-CG 4.01Å; L52-F144 HydrophobicContact CD2-CZ 3.54Å; L52-F144 HydrophobicContact CG-CE1 4.27Å; L52-F144 HydrophobicContact CG-CZ 4.14Å; W55-F144 HydrophobicContact CZ3-CD1 4.28Å; W55-F144 AromaticContact CZ3-CE1 3.96Å; W55-F144 HydrophobicContact CZ3-CE1 3.96Å; M85-F144 HydrophobicContact CE-CB 4.46Å; L140-F144 HydrophobicContact CD1-CD2 3.75Å; L140-F144 HydrophobicContact CD1-CE2 3.65Å; L140-F144 HydrophobicContact CG-CD2 4.13Å; L140-F144 HydrophobicContact CG-CE2 4.44Å; L140-F144 PolarHBondContact O-N 3.18Å; F141-F144 PolarHBondContact O-N 3.34Å; L142-F144 PolarHBondContact O-N 3Å; F144-A146 PolarHBondContact O-N 2.68Å; F144-Q147 HydrophobicContact CD1-CB 4.36Å; F144-M148 HydrophobicContact CB-CE 4.3Å; F144-M148 HydrophobicContact CD1-CE 4.26Å; F144-M148 WeakPolarHBondContact O-CB 3.28Å; F144-M148 WeakPolarHBondContact O-CG 3.48Å; F144-M148 PolarHBondContact O-N 3Å; F144-F265 HydrophobicContact CE1-CZ 4.49Å; F144-F265 HydrophobicContact CZ-CZ 4.07Å; F144-P266 HydrophobicContact CE2-CB 3.76Å; F144-P266 HydrophobicContact CE2-CG 3.99Å; F144-P266 HydrophobicContact CZ-CB 3.56Å; F144-P266 HydrophobicContact CZ-CG 4.25Å
145L98.6Very high97.3Very high0 Ų014.2 Ų14.20%09%0.087CC..Hα-helixtrans-56.1-46.2165.5176.264.3000109.9M85 F141 L142 T149 I155 I156 I165 L217M85-L145 HydrophobicContact CE-CB 4.32Å; F141-L145 HydrophobicContact CE1-CD2 4.3Å; F141-L145 WeakPolarHBondContact O-CB 3.27Å; F141-L145 PolarHBondContact O-N 2.91Å; L142-L145 HydrophobicContact CD2-CD2 4.34Å; L142-L145 PolarHBondContact O-N 3.3Å; L145-T149 VanDerWaalsContact O-CB 3.24Å; L145-T149 WeakPolarHBondContact O-CB 3.41Å; L145-T149 PolarHBondContact O-N 3.45Å; L145-T149 PolarHBondContact O-OG1 2.85Å; L145-I155 HydrophobicContact CD1-CB 3.81Å; L145-I155 HydrophobicContact CD1-CD1 3.98Å; L145-I155 HydrophobicContact CD1-CG1 4.49Å; L145-I155 HydrophobicContact CD1-CG2 3.66Å; L145-I156 HydrophobicContact CD1-CD1 4.1Å; L145-I156 HydrophobicContact CD1-CG1 4.03Å; L145-I156 HydrophobicContact CD2-CD1 4.31Å; L145-I156 HydrophobicContact CD2-CG1 4.46Å; L145-I165 HydrophobicContact CD2-CD1 3.67Å; L145-I165 HydrophobicContact CD2-CG1 4.04Å; L145-I165 HydrophobicContact CD2-CG2 4.14Å; L145-L217 HydrophobicContact CD2-CD2 4.22Å; L145-L217 HydrophobicContact CG-CD2 4.43Å
146A98.3Very high97.3Very high0 Ų014.1 Ų14.10%09%0.086CC..Hα-helixtrans-65.4-52.6178.700000112.4L142 L143 F144 M148 T149 A150 A211 I212 L215 L426L142-A146 WeakPolarHBondContact O-CB 3.47Å; L142-A146 PolarHBondContact O-N 2.81Å; L143-A146 WeakPolarHBondContact O-CB 3.19Å; L143-A146 PolarHBondContact O-N 2.93Å; F144-A146 PolarHBondContact O-N 2.68Å; A146-M148 PolarHBondContact O-N 3Å; A146-T149 PolarHBondContact O-N 3.43Å; A146-A150 WeakPolarHBondContact O-CB 3.38Å; A146-A150 PolarHBondContact O-N 3.19Å; A146-A211 HydrophobicContact CB-CB 3.92Å; A146-I212 HydrophobicContact CB-CB 4.4Å; A146-L215 VanDerWaalsContact CA-CD2 3.46Å; A146-L215 HydrophobicContact CB-CD2 3.65Å; A146-L426 HydrophobicContact CB-CD1 3.8Å
147Q97.8Very high97.2Very high4 Ų417.5 Ų17.52%0.01910%0.101CC..Hα-helixtrans-60.2-43.1179.5-65.5-75.316.700112.1W55 L143 F144 A150 S151 D424 P425 L426W55-Q147 HydrophobicContact CH2-CB 4.24Å; L143-Q147 HydrophobicContact CD1-CG 4.31Å; L143-Q147 WeakPolarHBondContact O-CG 3.32Å; L143-Q147 PolarHBondContact O-N 2.89Å; F144-Q147 HydrophobicContact CD1-CB 4.36Å; Q147-A150 PolarHBondContact O-N 2.72Å; Q147-S151 PolarHBondContact O-N 3.42Å; Q147-D424 PolarHBondContact NE2-OD1 3.08Å; Q147-P425 HydrophobicContact CB-CG 4.49Å; Q147-P425 VanDerWaalsContact O-CG 3.26Å; Q147-P425 WeakPolarHBondContact O-CG 3.28Å; Q147-P425 VanDerWaalsContact OE1-CG 3.31Å; Q147-L426 HydrophobicContact CG-CD1 4.31Å; Q147-L426 VanDerWaalsContact OE1-N 3.13Å
148M97.9Very high97.1Very high0 Ų020.4 Ų20.40%012%0.118CC..Hα-helixtrans-69.1-39179.3-71.1175.9-177.500112I51 L52 W55 V81 M85 F144 A146 S151 G152 L153 I155I51-M148 HydrophobicContact CG2-CE 3.98Å; L52-M148 HydrophobicContact CD2-CE 4.09Å; W55-M148 HydrophobicContact CB-CE 4.27Å; W55-M148 HydrophobicContact CD2-CE 4.24Å; W55-M148 HydrophobicContact CD2-CG 4.2Å; W55-M148 HydrophobicContact CE3-CE 4.4Å; W55-M148 HydrophobicContact CG-CE 4.2Å; W55-M148 HydrophobicContact CG-CG 4.45Å; W55-M148 HydrophobicContact CZ2-CG 4.32Å; V81-M148 HydrophobicContact CG1-CE 3.7Å; V81-M148 HydrophobicContact CG1-SD 3.49Å; V81-M148 WeakPolarHBondContact CG1-SD 3.46Å; M85-M148 HydrophobicContact CE-SD 4.39Å; M85-M148 HydrophobicContact CG-SD 3.81Å; M85-M148 HydrophobicContact SD-SD 4.24Å; F144-M148 HydrophobicContact CB-CE 4.3Å; F144-M148 HydrophobicContact CD1-CE 4.26Å; F144-M148 WeakPolarHBondContact O-CB 3.28Å; F144-M148 WeakPolarHBondContact O-CG 3.48Å; F144-M148 PolarHBondContact O-N 3Å; A146-M148 PolarHBondContact O-N 3Å; M148-S151 WeakPolarHBondContact CA-OG 3.39Å; M148-S151 PolarHBondContact O-N 2.78Å; M148-S151 PolarHBondContact O-OG 3.31Å; M148-G152 PolarHBondContact O-N 3.24Å; M148-L153 HydrophobicContact CB-CB 4.38Å; M148-L153 HydrophobicContact CB-CD1 4.13Å; M148-L153 HydrophobicContact CG-CD1 4.34Å; M148-L153 WeakPolarHBondContact O-CB 3.36Å; M148-L153 PolarHBondContact O-N 3.21Å; M148-I155 HydrophobicContact CB-CD1 3.75Å; M148-I155 HydrophobicContact SD-CD1 4.19Å
149T97.3Very high96.9Very high5 Ų524 Ų243%0.03114%0.137CC..Hα-helixtrans-63.8-44.5174.7-570000110.9L145 A146 S151 G152 L153L145-T149 VanDerWaalsContact O-CB 3.24Å; L145-T149 WeakPolarHBondContact O-CB 3.41Å; L145-T149 PolarHBondContact O-N 3.45Å; L145-T149 PolarHBondContact O-OG1 2.85Å; A146-T149 PolarHBondContact O-N 3.43Å; T149-S151 PolarHBondContact O-N 3.49Å; T149-G152 WeakPolarHBondContact O-CA 3.33Å; T149-G152 PolarHBondContact O-N 2.95Å; T149-L153 WeakPolarHBondContact CA-O 3.43Å
150A96Very high96.7Very high43 Ų4326.7 Ų26.736%0.35515%0.151SC..Hα-helixtrans-62.5-29.7174.500000113A146 Q147 G152 P425 L426A146-A150 WeakPolarHBondContact O-CB 3.38Å; A146-A150 PolarHBondContact O-N 3.19Å; Q147-A150 PolarHBondContact O-N 2.72Å; A150-G152 PolarHBondContact O-N 2.73Å; A150-P425 HydrophobicContact CB-CB 4.17Å; A150-P425 HydrophobicContact CB-CG 4Å; A150-L426 HydrophobicContact CB-CD2 3.66Å; A150-L426 HydrophobicContact CB-CG 3.9Å
151S94.8Very high96.7Very high14 Ų1427.3 Ų27.310%0.09815%0.154CC..THydrogen-bonded Turntrans-75.6-3.4172.481.90000114.5W55 R62 Q147 M148 T149W55-S151 PolarHBondContact NE1-OG 3.21Å; R62-S151 PolarHBondContact NH1-O 2.96Å; Q147-S151 PolarHBondContact O-N 3.42Å; M148-S151 WeakPolarHBondContact CA-OG 3.39Å; M148-S151 PolarHBondContact O-N 2.78Å; M148-S151 PolarHBondContact O-OG 3.31Å; T149-S151 PolarHBondContact O-N 3.49Å
152G94.1Very high96.6Very high58 Ų5827.8 Ų27.860%0.59816%0.157SC*.THydrogen-bonded Turntrans97.69.2177.800000115.4M148 T149 A150M148-G152 PolarHBondContact O-N 3.24Å; T149-G152 WeakPolarHBondContact O-CA 3.33Å; T149-G152 PolarHBondContact O-N 2.95Å; A150-G152 PolarHBondContact O-N 2.73Å
153L95.4Very high96.5Very high8 Ų828.3 Ų28.34%0.04216%0.161CC..  trans-79.7130.6173.7-61.4-170000110.9E78 V81 V82 M148 T149 I155E78-L153 HydrophobicContact CB-CD2 3.82Å; E78-L153 HydrophobicContact CG-CD2 3.88Å; V81-L153 HydrophobicContact CB-CD1 4.21Å; V81-L153 HydrophobicContact CG1-CD1 3.86Å; V82-L153 HydrophobicContact CG2-CB 4.24Å; V82-L153 HydrophobicContact CG2-CD1 4.39Å; M148-L153 HydrophobicContact CB-CB 4.38Å; M148-L153 HydrophobicContact CB-CD1 4.13Å; M148-L153 HydrophobicContact CG-CD1 4.34Å; M148-L153 WeakPolarHBondContact O-CB 3.36Å; M148-L153 PolarHBondContact O-N 3.21Å; T149-L153 WeakPolarHBondContact CA-O 3.43Å; L153-I155 HydrophobicContact CB-CG1 4.37Å; L153-I155 PolarHBondContact O-N 3Å
154R94.2Very high96.4Very high140 Ų14028.3 Ų28.353%0.52816%0.161SC..  trans-91.7102174.9-164.6-170.3175.8-179.6-1.7109.9F157R154-F157 HydrophobicContact CB-CE1 4.25Å; R154-F157 HydrophobicContact CG-CD1 3.98Å; R154-F157 HydrophobicContact CG-CE1 3.72Å; R154-F157 VanDerWaalsContact O-CE1 3.3Å; R154-F157 WeakPolarHBondContact O-CE1 3.41Å
155I96.9Very high96.4Very high0 Ų028.2 Ų28.20%016%0.161CC..  trans-102.8-39.9-178-61.6169.7000111.6V82 M85 R86 L145 M148 L153V82-I155 HydrophobicContact CG2-CG1 4.38Å; M85-I155 HydrophobicContact CB-CD1 4.09Å; M85-I155 HydrophobicContact CB-CG1 4.48Å; M85-I155 HydrophobicContact CB-CG2 3.9Å; M85-I155 HydrophobicContact CG-CD1 4.15Å; R86-I155 HydrophobicContact CG-CG2 4.15Å; R86-I155 WeakPolarHBondContact CG-O 3.29Å; R86-I155 PolarHBondContact NH1-O 3.45Å; L145-I155 HydrophobicContact CD1-CB 3.81Å; L145-I155 HydrophobicContact CD1-CD1 3.98Å; L145-I155 HydrophobicContact CD1-CG1 4.49Å; L145-I155 HydrophobicContact CD1-CG2 3.66Å; M148-I155 HydrophobicContact CB-CD1 3.75Å; M148-I155 HydrophobicContact SD-CD1 4.19Å; L153-I155 HydrophobicContact CB-CG1 4.37Å; L153-I155 PolarHBondContact O-N 3Å
156I97.6Very high96.4Very high0 Ų028.4 Ų28.40%016%0.162CC..  trans-96.7136.7-179.5-52.9-59.7000109.9L89 L145 E161 V162 I165 L217 F218L89-I156 HydrophobicContact CD2-CD1 3.61Å; L145-I156 HydrophobicContact CD1-CD1 4.1Å; L145-I156 HydrophobicContact CD1-CG1 4.03Å; L145-I156 HydrophobicContact CD2-CD1 4.31Å; L145-I156 HydrophobicContact CD2-CG1 4.46Å; I156-E161 HydrophobicContact CG2-CB 3.69Å; I156-V162 HydrophobicContact CG2-CG2 3.96Å; I156-I165 HydrophobicContact CD1-CD1 4.33Å; I156-I165 HydrophobicContact CD1-CG1 4.02Å; I156-L217 HydrophobicContact CB-CB 4.08Å; I156-L217 HydrophobicContact CG1-CB 4.1Å; I156-L217 HydrophobicContact CG1-CD1 4.29Å; I156-L217 HydrophobicContact CG2-CB 4.27Å; I156-F218 HydrophobicContact CB-CE1 4.49Å; I156-F218 HydrophobicContact CG2-CD1 4.41Å; I156-F218 HydrophobicContact CG2-CE1 3.97Å; I156-F218 VanDerWaalsContact O-CD1 3.31Å; I156-F218 WeakPolarHBondContact O-CD1 3.35Å
157F95.3Very high96.4Very high82 Ų8228.4 Ų28.436%0.3616%0.162SC..  trans-124.5-22.4-170.9-61.7-25.4000114.6R86 R154 E161R86-F157 VanDerWaalsContact CD-CE2 3.49Å; R154-F157 HydrophobicContact CB-CE1 4.25Å; R154-F157 HydrophobicContact CG-CD1 3.98Å; R154-F157 HydrophobicContact CG-CE1 3.72Å; R154-F157 VanDerWaalsContact O-CE1 3.3Å; R154-F157 WeakPolarHBondContact O-CE1 3.41Å; F157-E161 PolarHBondContact N-OE2 3.3Å
158T95.4Very high96.4Very high62 Ų6228.2 Ų28.238%0.3816%0.161SC..SBendtrans-129.2157.3-177.474.50000112.9D160 E161 V162T158-D160 VanDerWaalsContact C-N 3.25Å; T158-D160 PolarHBondContact O-N 2.98Å; T158-E161 PolarHBondContact N-OE2 3.44Å; T158-E161 PolarHBondContact O-N 2.99Å; T158-E161 WeakPolarHBondContact OG1-CG 3.29Å; T158-E161 PolarHBondContact OG1-N 2.76Å; T158-E161 VanDerWaalsContact OG1-N 3.09Å; T158-V162 WeakPolarHBondContact O-CG2 3.26Å; T158-V162 PolarHBondContact O-N 3.28Å
159L92.8Very high96.4Very high84 Ų8428.3 Ų28.344%0.4416%0.161SC..Hα-helixtrans-68.3-25.6174.2-68.8177.2000112.5V162 A163 F218 K225L159-V162 HydrophobicContact CD2-CG2 4.43Å; L159-V162 WeakPolarHBondContact O-CB 3.43Å; L159-V162 PolarHBondContact O-N 2.57Å; L159-A163 PolarHBondContact O-N 3.1Å; L159-F218 HydrophobicContact CD2-CE2 4.1Å; L159-F218 HydrophobicContact CD2-CZ 4.31Å; L159-K225 HydrophobicContact CD1-CD 4.49Å; L159-K225 HydrophobicContact CD2-CB 3.95Å
160D95.6Very high96.4Very high56 Ų5628.2 Ų28.230%0.29916%0.16SC..Hα-helixtrans-64-46.4169.7-66.1-44.4000110.3T158 V162 A163 F164 N489 N491 M492T158-D160 VanDerWaalsContact C-N 3.25Å; T158-D160 PolarHBondContact O-N 2.98Å; D160-V162 VanDerWaalsContact C-N 3.3Å; D160-V162 PolarHBondContact O-N 2.93Å; D160-A163 PolarHBondContact O-N 3.1Å; D160-F164 PolarHBondContact O-N 2.97Å; D160-N489 PolarHBondContact OD1-ND2 2.8Å; D160-N491 PolarHBondContact OD1-ND2 3.44Å; D160-M492 HydrophobicContact CB-CE 3.98Å; D160-M492 HydrophobicContact CB-SD 4.41Å; D160-M492 WeakPolarHBondContact O-CE 3.33Å
161E97.4Very high96.4Very high17 Ų1726.3 Ų26.38%0.07914%0.144CC..Hα-helixtrans-60.7-39.7174.5-69.9173.716600111.1R86 L89 M93 I156 F157 T158 F164 I165R86-E161 IonicContact CZ-OE1 3.84Å; R86-E161 IonicContact NH1-OE1 2.66Å; R86-E161 PolarHBondContact NH1-OE1 3.29Å; R86-E161 VanDerWaalsContact NH1-OE1 3.15Å; R86-E161 IonicContact NH1-OE2 2.85Å; R86-E161 PolarHBondContact NH1-OE2 3.23Å; R86-E161 IonicContact NH2-OE1 3.74Å; R86-E161 PolarHBondContact NH2-OE1 2.82Å; L89-E161 HydrophobicContact CD2-CG 4.19Å; M93-E161 HydrophobicContact CE-CG 4.05Å; M93-E161 HydrophobicContact SD-CG 3.9Å; I156-E161 HydrophobicContact CG2-CB 3.69Å; F157-E161 PolarHBondContact N-OE2 3.3Å; T158-E161 PolarHBondContact N-OE2 3.44Å; T158-E161 PolarHBondContact O-N 2.99Å; T158-E161 WeakPolarHBondContact OG1-CG 3.29Å; T158-E161 PolarHBondContact OG1-N 2.76Å; T158-E161 VanDerWaalsContact OG1-N 3.09Å; E161-F164 WeakPolarHBondContact O-CB 3.21Å; E161-F164 PolarHBondContact O-N 3.48Å; E161-I165 WeakPolarHBondContact O-CG1 3.39Å; E161-I165 PolarHBondContact O-N 3.14Å
162V96.8Very high96.5Very high9 Ų925.7 Ų25.76%0.05514%0.139CC..Hα-helixtrans-58.2-49.1172.9173.20000111.3I156 T158 L159 D160 F164 I165 Q166 L217 F218 I228I156-V162 HydrophobicContact CG2-CG2 3.96Å; T158-V162 WeakPolarHBondContact O-CG2 3.26Å; T158-V162 PolarHBondContact O-N 3.28Å; L159-V162 HydrophobicContact CD2-CG2 4.43Å; L159-V162 WeakPolarHBondContact O-CB 3.43Å; L159-V162 PolarHBondContact O-N 2.57Å; D160-V162 VanDerWaalsContact C-N 3.3Å; D160-V162 PolarHBondContact O-N 2.93Å; V162-F164 VanDerWaalsContact C-N 3.27Å; V162-F164 PolarHBondContact O-N 2.91Å; V162-I165 PolarHBondContact O-N 2.97Å; V162-Q166 PolarHBondContact O-N 3.03Å; V162-L217 HydrophobicContact CB-CD1 4.41Å; V162-L217 HydrophobicContact CG1-CD1 4.33Å; V162-L217 HydrophobicContact CG2-CB 4.33Å; V162-L217 HydrophobicContact CG2-CD1 4.17Å; V162-F218 HydrophobicContact CG2-CE1 4.15Å; V162-F218 HydrophobicContact CG2-CZ 4.12Å; V162-I228 HydrophobicContact CG1-CD1 4.1Å
163A96.3Very high96.4Very high11 Ų1123.1 Ų23.19%0.09111%0.112CC..Hα-helixtrans-62.5-36.3179.100000111.8L159 D160 Q166 N167 N489 M492L159-A163 PolarHBondContact O-N 3.1Å; D160-A163 PolarHBondContact O-N 3.1Å; A163-Q166 PolarHBondContact O-N 3.45Å; A163-N167 PolarHBondContact O-N 3.25Å; A163-N167 PolarHBondContact O-ND2 3.36Å; A163-N489 HydrophobicContact CB-CB 3.88Å; A163-M492 HydrophobicContact CB-CE 4.14Å
164F98.4Very high96.1Very high0 Ų022.8 Ų22.80%011%0.111CC..Hα-helixtrans-63.2-46.9173.3-178.7-100000111.7L89 M92 M93 V96 V99 D160 E161 V162 Q166 N167 L168 M492 L494L89-F164 HydrophobicContact CD1-CD1 3.79Å; L89-F164 HydrophobicContact CD1-CE1 3.98Å; M92-F164 VanDerWaalsContact C-CZ 3.44Å; M92-F164 HydrophobicContact CB-CE1 3.87Å; M92-F164 HydrophobicContact CB-CZ 3.79Å; M92-F164 WeakPolarHBondContact O-CZ 3.44Å; M93-F164 HydrophobicContact CB-CE1 4.49Å; M93-F164 HydrophobicContact CB-CZ 4.41Å; M93-F164 HydrophobicContact CG-CB 4.45Å; M93-F164 HydrophobicContact CG-CD1 3.48Å; M93-F164 VanDerWaalsContact CG-CD1 3.48Å; M93-F164 HydrophobicContact CG-CD2 4.02Å; M93-F164 HydrophobicContact CG-CE1 3.59Å; M93-F164 HydrophobicContact CG-CE2 4.13Å; M93-F164 HydrophobicContact CG-CG 3.71Å; M93-F164 HydrophobicContact CG-CZ 3.93Å; M93-F164 HydrophobicContact SD-CD1 4.45Å; V96-F164 HydrophobicContact CB-CE2 4.23Å; V96-F164 HydrophobicContact CG2-CD2 4.03Å; V96-F164 HydrophobicContact CG2-CE2 4.12Å; V99-F164 HydrophobicContact CG2-CE2 3.94Å; V99-F164 HydrophobicContact CG2-CZ 4.15Å; D160-F164 PolarHBondContact O-N 2.97Å; E161-F164 WeakPolarHBondContact O-CB 3.21Å; E161-F164 PolarHBondContact O-N 3.48Å; V162-F164 VanDerWaalsContact C-N 3.27Å; V162-F164 PolarHBondContact O-N 2.91Å; F164-Q166 VanDerWaalsContact C-N 3.33Å; F164-Q166 PolarHBondContact O-N 3.4Å; F164-N167 CarbonylContact O-C 3.55Å; F164-N167 PolarHBondContact O-N 2.96Å; F164-L168 HydrophobicContact CD1-CD1 4.18Å; F164-L168 HydrophobicContact CD1-CG 4.25Å; F164-L168 HydrophobicContact CE1-CD1 3.64Å; F164-L168 HydrophobicContact CE1-CD2 4.13Å; F164-L168 HydrophobicContact CE1-CG 3.83Å; F164-L168 HydrophobicContact CZ-CD1 4.31Å; F164-L168 HydrophobicContact CZ-CD2 3.98Å; F164-L168 HydrophobicContact CZ-CG 4.15Å; F164-L168 PolarHBondContact O-N 3.44Å; F164-M492 HydrophobicContact CB-CE 4.09Å; F164-M492 HydrophobicContact CB-SD 4.21Å; F164-L494 HydrophobicContact CD2-CD1 4.49Å
165I98.6Very high95.9Very high0 Ų016.3 Ų16.30%09%0.087CC..Hα-helixtrans-60.5-41.8175.6-64.5-57.8000111.4L89 F141 L142 L145 I156 E161 V162 N167 L168 V169 I212 L217 I228L89-I165 HydrophobicContact CD1-CD1 3.88Å; F141-I165 HydrophobicContact CE1-CD1 3.96Å; L142-I165 HydrophobicContact CD2-CD1 4.24Å; L142-I165 HydrophobicContact CD2-CG2 3.9Å; L145-I165 HydrophobicContact CD2-CD1 3.67Å; L145-I165 HydrophobicContact CD2-CG1 4.04Å; L145-I165 HydrophobicContact CD2-CG2 4.14Å; I156-I165 HydrophobicContact CD1-CD1 4.33Å; I156-I165 HydrophobicContact CD1-CG1 4.02Å; E161-I165 WeakPolarHBondContact O-CG1 3.39Å; E161-I165 PolarHBondContact O-N 3.14Å; V162-I165 PolarHBondContact O-N 2.97Å; I165-N167 PolarHBondContact O-N 3.38Å; I165-L168 HydrophobicContact CD1-CD1 4.1Å; I165-L168 WeakPolarHBondContact O-CB 3.5Å; I165-L168 PolarHBondContact O-N 3.4Å; I165-V169 PolarHBondContact O-N 2.86Å; I165-I212 HydrophobicContact CG2-CD1 3.56Å; I165-L217 HydrophobicContact CB-CD1 3.8Å; I165-L217 HydrophobicContact CG1-CD1 4.04Å; I165-L217 HydrophobicContact CG2-CD1 3.73Å; I165-I228 HydrophobicContact CB-CD1 4.35Å; I165-I228 HydrophobicContact CG2-CD1 4.04Å; I165-I228 HydrophobicContact CG2-CG1 4.25Å
166Q97.9Very high95.4Very high4 Ų416.8 Ų16.82%0.0199%0.089CC..Hα-helixtrans-60.2-33.2174.4-174.36373.500112.2V162 A163 F164 V169 F170 I228 H229 L486V162-Q166 PolarHBondContact O-N 3.03Å; A163-Q166 PolarHBondContact O-N 3.45Å; F164-Q166 VanDerWaalsContact C-N 3.33Å; F164-Q166 PolarHBondContact O-N 3.4Å; Q166-V169 WeakPolarHBondContact O-CB 3.32Å; Q166-V169 PolarHBondContact O-N 3.32Å; Q166-F170 HydrophobicContact CG-CE2 3.99Å; Q166-F170 HydrophobicContact CG-CZ 3.72Å; Q166-F170 WeakPolarHBondContact O-CD2 3.48Å; Q166-F170 WeakPolarHBondContact O-CE2 3.38Å; Q166-F170 WeakPolarHBondContact O-CG 3.39Å; Q166-F170 PolarHBondContact O-N 3.49Å; Q166-I228 HydrophobicContact CB-CD1 3.87Å; Q166-H229 PolarHBondContact NE2-O 3.07Å; Q166-L486 HydrophobicContact CG-CD1 4.24Å; Q166-L486 HydrophobicContact CG-CD2 4.36Å; Q166-L486 HydrophobicContact CG-CG 3.93Å
167N98.1Very high94.9Very high0 Ų018.7 Ų18.70%010%0.097CC..Hα-helixtrans-77.9-27.7173.7-78-96.6000113.1V99 K103 A163 F164 I165 V169 F170 Y171 G487 L494V99-N167 HydrophobicContact CG1-CB 4.03Å; K103-N167 PolarHBondContact NZ-OD1 2.96Å; A163-N167 PolarHBondContact O-N 3.25Å; A163-N167 PolarHBondContact O-ND2 3.36Å; F164-N167 CarbonylContact O-C 3.55Å; F164-N167 PolarHBondContact O-N 2.96Å; I165-N167 PolarHBondContact O-N 3.38Å; N167-V169 VanDerWaalsContact C-N 3.28Å; N167-F170 HydrophobicContact CB-CD2 4.44Å; N167-F170 PolarHBondContact O-N 3.03Å; N167-Y171 PolarHBondContact O-N 3.48Å; N167-G487 PolarHBondContact ND2-O 2.85Å; N167-L494 HydrophobicContact CB-CD1 4.24Å; N167-L494 HydrophobicContact CB-CD2 4.3Å
168L98.1Very high94.5Very high0 Ų015.1 Ų15.10%08%0.082CC..Hα-helixtrans-66.3-31.6168.3-68.9-173.5000112M92 V99 L112 T138 F141 L142 F164 I165 Y171 I172M92-L168 HydrophobicContact SD-CD1 4.02Å; V99-L168 HydrophobicContact CG1-CD2 4.27Å; V99-L168 HydrophobicContact CG2-CD2 3.94Å; L112-L168 HydrophobicContact CD1-CD2 3.79Å; T138-L168 HydrophobicContact CG2-CD2 4.41Å; F141-L168 HydrophobicContact CD1-CD1 4.49Å; F141-L168 HydrophobicContact CE1-CD1 4.4Å; L142-L168 HydrophobicContact CD1-CB 4.11Å; L142-L168 HydrophobicContact CD2-CB 4.22Å; L142-L168 HydrophobicContact CD2-CD1 4.29Å; F164-L168 HydrophobicContact CD1-CD1 4.18Å; F164-L168 HydrophobicContact CD1-CG 4.25Å; F164-L168 HydrophobicContact CE1-CD1 3.64Å; F164-L168 HydrophobicContact CE1-CD2 4.13Å; F164-L168 HydrophobicContact CE1-CG 3.83Å; F164-L168 HydrophobicContact CZ-CD1 4.31Å; F164-L168 HydrophobicContact CZ-CD2 3.98Å; F164-L168 HydrophobicContact CZ-CG 4.15Å; F164-L168 PolarHBondContact O-N 3.44Å; I165-L168 HydrophobicContact CD1-CD1 4.1Å; I165-L168 WeakPolarHBondContact O-CB 3.5Å; I165-L168 PolarHBondContact O-N 3.4Å; L168-Y171 VanDerWaalsContact O-CB 3.28Å; L168-Y171 WeakPolarHBondContact O-CB 3.22Å; L168-Y171 PolarHBondContact O-N 3.24Å; L168-I172 PolarHBondContact O-N 2.86Å; L168-I172 VanDerWaalsContact O-N 3.13Å
169V98.2Very high94.3Very high1 Ų113.7 Ų13.71%0.0068%0.076CC..Hα-helixtrans-59.7-47168.9167.90000110.3I165 Q166 N167 Y171 I172 E173 L209 I212 I228 V230I165-V169 PolarHBondContact O-N 2.86Å; Q166-V169 WeakPolarHBondContact O-CB 3.32Å; Q166-V169 PolarHBondContact O-N 3.32Å; N167-V169 VanDerWaalsContact C-N 3.28Å; V169-Y171 PolarHBondContact O-N 3.45Å; V169-I172 WeakPolarHBondContact O-CG1 3.49Å; V169-I172 PolarHBondContact O-N 3.4Å; V169-I172 VanDerWaalsContact O-N 3.13Å; V169-E173 PolarHBondContact O-N 2.81Å; V169-L209 HydrophobicContact CG1-CD2 3.84Å; V169-I212 HydrophobicContact CG2-CD1 4.45Å; V169-I212 HydrophobicContact CG2-CG2 3.88Å; V169-I228 HydrophobicContact CG2-CG2 3.8Å; V169-V230 HydrophobicContact CG1-CG2 3.86Å
170F96.8Very high94.3Very high4 Ų49.7 Ų9.72%0.0186%0.056CC..Hα-helixtrans-66.3-24.3176.1-51-35.8000113.5K103 Q166 N167 L486 R497K103-F170 HydrophobicContact CD-CB 3.89Å; K103-F170 HydrophobicContact CD-CD2 4.24Å; K103-F170 HydrophobicContact CG-CB 4.12Å; Q166-F170 HydrophobicContact CG-CE2 3.99Å; Q166-F170 HydrophobicContact CG-CZ 3.72Å; Q166-F170 WeakPolarHBondContact O-CD2 3.48Å; Q166-F170 WeakPolarHBondContact O-CE2 3.38Å; Q166-F170 WeakPolarHBondContact O-CG 3.39Å; Q166-F170 PolarHBondContact O-N 3.49Å; N167-F170 HydrophobicContact CB-CD2 4.44Å; N167-F170 PolarHBondContact O-N 3.03Å; F170-L486 HydrophobicContact CE1-CD2 4.26Å; F170-L486 WeakPolarHBondContact CE2-O 3.31Å; F170-L486 HydrophobicContact CZ-CB 4.3Å; F170-L486 HydrophobicContact CZ-CD2 3.89Å; F170-L486 HydrophobicContact CZ-CG 3.93Å; F170-R497 HydrophobicContact CD1-CB 4.2Å; F170-R497 HydrophobicContact CD1-CG 3.85Å; F170-R497 HydrophobicContact CD2-CB 4.14Å; F170-R497 HydrophobicContact CE1-CB 3.81Å; F170-R497 HydrophobicContact CE1-CG 3.76Å; F170-R497 HydrophobicContact CE2-CB 3.74Å; F170-R497 HydrophobicContact CE2-CG 4.44Å; F170-R497 VanDerWaalsContact CE2-N 3.34Å; F170-R497 HydrophobicContact CG-CB 4.38Å; F170-R497 HydrophobicContact CG-CG 4.26Å; F170-R497 HydrophobicContact CZ-CB 3.56Å; F170-R497 HydrophobicContact CZ-CG 4.07Å
171Y96.1Very high94.3Very high3 Ų38.6 Ų8.61%0.0125%0.048CC..Hα-helixtrans-68-40172.8-175.7-78.3000111.3V99 F102 S111 L112 T138 N167 L168 V169V99-Y171 HydrophobicContact CG1-CD2 4.45Å; F102-Y171 HydrophobicContact CB-CD2 3.82Å; F102-Y171 HydrophobicContact CB-CE2 3.59Å; F102-Y171 HydrophobicContact CD1-CD1 4.23Å; F102-Y171 AromaticContact CD1-CD2 3.31Å; F102-Y171 HydrophobicContact CD1-CD2 3.31Å; F102-Y171 HydrophobicContact CD1-CE1 4.14Å; F102-Y171 AromaticContact CD1-CE2 3.22Å; F102-Y171 HydrophobicContact CD1-CE2 3.22Å; F102-Y171 AromaticContact CD1-CG 3.82Å; F102-Y171 HydrophobicContact CD1-CG 3.82Å; F102-Y171 AromaticContact CD1-CZ 3.65Å; F102-Y171 HydrophobicContact CD2-CE2 4.04Å; F102-Y171 HydrophobicContact CE1-CD1 4.22Å; F102-Y171 HydrophobicContact CE1-CD2 4.1Å; F102-Y171 AromaticContact CE1-CE1 3.98Å; F102-Y171 HydrophobicContact CE1-CE1 3.98Å; F102-Y171 AromaticContact CE1-CE2 3.87Å; F102-Y171 HydrophobicContact CE1-CE2 3.87Å; F102-Y171 HydrophobicContact CE1-CG 4.26Å; F102-Y171 AromaticContact CE1-CZ 3.79Å; F102-Y171 AromaticContact CG-CD2 3.76Å; F102-Y171 HydrophobicContact CG-CD2 3.76Å; F102-Y171 AromaticContact CG-CE2 3.32Å; F102-Y171 HydrophobicContact CG-CE2 3.32Å; F102-Y171 AromaticContact CG-CZ 3.93Å; S111-Y171 WeakPolarHBondContact CA-OH 3.48Å; S111-Y171 WeakPolarHBondContact CB-OH 3.46Å; L112-Y171 HydrophobicContact CD1-CE2 4.41Å; L112-Y171 HydrophobicContact CG-CE2 4.09Å; L112-Y171 PolarHBondContact N-OH 3.03Å; T138-Y171 HydrophobicContact CG2-CD1 4.33Å; N167-Y171 PolarHBondContact O-N 3.48Å; L168-Y171 VanDerWaalsContact O-CB 3.28Å; L168-Y171 WeakPolarHBondContact O-CB 3.22Å; L168-Y171 PolarHBondContact O-N 3.24Å; V169-Y171 PolarHBondContact O-N 3.45Å
172I96.8Very high94Very high0 Ų07.9 Ų7.90%05%0.045CC..Hα-helixtrans-95.7-15.7-17767.4157.2000114.7V135 T138 L142 L168 V169 A174 A175 A208 L209V135-I172 HydrophobicContact CG1-CG2 4.44Å; T138-I172 HydrophobicContact CG2-CG2 3.96Å; L142-I172 HydrophobicContact CD1-CD1 3.66Å; L142-I172 HydrophobicContact CD1-CG1 4.07Å; L168-I172 PolarHBondContact O-N 2.86Å; L168-I172 VanDerWaalsContact O-N 3.13Å; V169-I172 WeakPolarHBondContact O-CG1 3.49Å; V169-I172 PolarHBondContact O-N 3.4Å; V169-I172 VanDerWaalsContact O-N 3.13Å; I172-A174 PolarHBondContact O-N 3.22Å; I172-A174 VanDerWaalsContact O-N 3.12Å; I172-A175 WeakPolarHBondContact O-CB 3.48Å; I172-A175 PolarHBondContact O-N 2.88Å; I172-A208 HydrophobicContact CD1-CB 3.8Å; I172-L209 HydrophobicContact CD1-CD2 3.85Å; I172-L209 HydrophobicContact CD1-CG 3.86Å; I172-L209 HydrophobicContact CG1-CD2 3.87Å; I172-L209 HydrophobicContact CG1-CG 4.27Å
173E92.7Very high93.8Very high4 Ų47.8 Ų7.82%0.0194%0.044CC..THydrogen-bonded Turntrans-59.7-26.5-179.175.8-172.3169.300112.8V169 A175 Y176 L209 E234 R497 R500V169-E173 PolarHBondContact O-N 2.81Å; E173-A175 VanDerWaalsContact C-N 3.28Å; E173-A175 PolarHBondContact O-N 3.03Å; E173-Y176 WeakPolarHBondContact O-CD1 3.43Å; E173-Y176 WeakPolarHBondContact O-CE1 3.41Å; E173-L209 HydrophobicContact CB-CD2 4.49Å; E173-E234 HydrophobicContact CB-CB 4.16Å; E173-E234 HydrophobicContact CB-CG 4.15Å; E173-R497 IonicContact OE2-NE 3.08Å; E173-R500 VanDerWaalsContact CD-NH1 3.3Å; E173-R500 IonicContact OE1-CZ 2.64Å; E173-R500 IonicContact OE1-NH1 3.35Å; E173-R500 PolarHBondContact OE1-NH1 2.74Å; E173-R500 IonicContact OE1-NH2 3.69Å
174A87.4Confident93.7Very high2 Ų28.4 Ų8.42%0.0174%0.044CC..THydrogen-bonded Turntrans-82.9717600000114.2I172 Y176 K177 V178I172-A174 PolarHBondContact O-N 3.22Å; I172-A174 VanDerWaalsContact O-N 3.12Å; A174-Y176 PolarHBondContact O-N 2.93Å; A174-K177 HydrophobicContact CB-CG 4.27Å; A174-K177 WeakPolarHBondContact O-CG 3.31Å; A174-K177 PolarHBondContact O-N 2.77Å; A174-V178 HydrophobicContact CB-CG2 3.91Å; A174-V178 WeakPolarHBondContact O-CG2 3.24Å; A174-V178 PolarHBondContact O-N 3.43Å; A174-V178 VanDerWaalsContact O-N 3.16Å
175A91.6Very high93.3Very high4 Ų410.5 Ų10.53%0.0335%0.053CC..THydrogen-bonded Turntrans-54.2-31.4-17400000114.2V135 I172 E173 K177 L197 A205V135-A175 HydrophobicContact CG1-CB 3.77Å; I172-A175 WeakPolarHBondContact O-CB 3.48Å; I172-A175 PolarHBondContact O-N 2.88Å; E173-A175 VanDerWaalsContact C-N 3.28Å; E173-A175 PolarHBondContact O-N 3.03Å; A175-K177 PolarHBondContact O-N 2.8Å; A175-K177 VanDerWaalsContact O-N 3.11Å; A175-L197 WeakPolarHBondContact O-CD1 3.44Å; A175-A205 HydrophobicContact CB-CB 3.35Å
176Y86.8Confident92.7Very high9 Ų911.5 Ų11.54%0.0356%0.057CC..THydrogen-bonded Turntrans-62.8-15.4177.465.8-91.4000114.3E173 A174 E234 H237 A842E173-Y176 WeakPolarHBondContact O-CD1 3.43Å; E173-Y176 WeakPolarHBondContact O-CE1 3.41Å; A174-Y176 PolarHBondContact O-N 2.93Å; Y176-E234 VanDerWaalsContact CE1-OE2 3.29Å; Y176-E234 WeakPolarHBondContact CE1-OE2 3.42Å; Y176-E234 PolarHBondContact OH-OE2 3.29Å; Y176-H237 HydrophobicContact CD1-CB 3.75Å; Y176-H237 HydrophobicContact CD2-CB 4.11Å; Y176-H237 HydrophobicContact CE1-CB 4.02Å; Y176-H237 HydrophobicContact CE2-CB 4.36Å; Y176-H237 HydrophobicContact CG-CB 3.79Å; Y176-A842 HydrophobicContact CD2-CB 4.49Å; Y176-A842 HydrophobicContact CE2-CB 4.11Å
177K85.3Confident92.2Very high40 Ų4011.3 Ų11.317%0.1746%0.057CC..THydrogen-bonded Turntrans-127.9-6.4-178.559.5177.7176.3-149.90115.2A174 A175 P867A174-K177 HydrophobicContact CB-CG 4.27Å; A174-K177 WeakPolarHBondContact O-CG 3.31Å; A174-K177 PolarHBondContact O-N 2.77Å; A175-K177 PolarHBondContact O-N 2.8Å; A175-K177 VanDerWaalsContact O-N 3.11Å; K177-P867 HydrophobicContact CB-CB 3.65Å; K177-P867 HydrophobicContact CB-CG 3.61Å; K177-P867 HydrophobicContact CD-CB 4.42Å
178V88.6Confident91.7Very high7 Ų711.5 Ų11.54%0.0426%0.058CC..  trans-89112.6179.2173.10000109.3F102 Q106 L133 V135 A174F102-V178 HydrophobicContact CZ-CG1 3.99Å; Q106-V178 HydrophobicContact CB-CG2 4.11Å; Q106-V178 HydrophobicContact CG-CG2 3.97Å; L133-V178 HydrophobicContact CD1-CG1 4.29Å; L133-V178 HydrophobicContact CD2-CG1 3.96Å; L133-V178 HydrophobicContact CG-CG1 4.47Å; V135-V178 HydrophobicContact CG2-CG1 4.03Å; A174-V178 HydrophobicContact CB-CG2 3.91Å; A174-V178 WeakPolarHBondContact O-CG2 3.24Å; A174-V178 PolarHBondContact O-N 3.43Å; A174-V178 VanDerWaalsContact O-N 3.16Å
179A90.1Very high91.2Very high32 Ų3211.6 Ų11.626%0.2646%0.058SC..  trans-72.2131.5168.700000109.7L133 P195 E196L133-A179 VanDerWaalsContact CD2-O 3.31Å; L133-A179 WeakPolarHBondContact CD2-O 3.37Å; A179-P195 HydrophobicContact CB-CB 4.09Å; A179-E196 WeakPolarHBondContact CA-O 3.1Å
180D93.9Very high90.5Very high1 Ų112.3 Ų12.31%0.0056%0.063CC..BIsolated β-bridgetrans-133.8178.4-174.484.2-16.7000111.9L133 V135 G182 P195 E196 N198 S201L133-D180 HydrophobicContact CD2-CB 4.49Å; L133-D180 HydrophobicContact CG-CB 3.94Å; L133-D180 WeakPolarHBondContact O-CB 3.45Å; V135-D180 HydrophobicContact CG2-CB 4.09Å; V135-D180 PolarHBondContact N-OD2 3.12Å; D180-G182 PolarHBondContact O-N 3.29Å; D180-G182 WeakPolarHBondContact OD1-CA 3.16Å; D180-G182 PolarHBondContact OD1-N 3.4Å; D180-P195 WeakPolarHBondContact O-CA 3.4Å; D180-E196 PolarHBondContact N-O 3.33Å; D180-E196 PolarHBondContact O-N 3.32Å; D180-N198 PolarHBondContact O-ND2 2.67Å; D180-N198 PolarHBondContact OD1-ND2 3.44Å; D180-S201 PolarHBondContact OD1-OG 3.29Å; D180-S201 VanDerWaalsContact OD2-CB 3.23Å; D180-S201 WeakPolarHBondContact OD2-CB 3.38Å; D180-S201 PolarHBondContact OD2-OG 2.77Å
181Y94.4Very high89.9Confident33 Ų3312.5 Ų12.513%0.1296%0.064CC..  trans-82.5-1.6178.6-69.2-77.4000113.4T108 G131 L133 E185 R186 G187 G193T108-Y181 HydrophobicContact CG2-CE2 3.87Å; G131-Y181 VanDerWaalsContact C-CD2 3.43Å; G131-Y181 VanDerWaalsContact CA-CG 3.41Å; L133-Y181 HydrophobicContact CB-CD2 4.07Å; L133-Y181 HydrophobicContact CB-CE2 4.31Å; L133-Y181 PolarHBondContact O-N 3.5Å; Y181-E185 CarbonylContact O-C 3.53Å; Y181-E185 PolarHBondContact O-N 2.93Å; Y181-R186 PolarHBondContact O-N 2.8Å; Y181-G187 PolarHBondContact O-N 2.98Å; Y181-G193 WeakPolarHBondContact CE1-O 3.4Å; Y181-G193 PolarHBondContact OH-O 2.8Å
182G92.3Very high89.3Confident2 Ų216.1 Ų16.12%0.0218%0.081CC..THydrogen-bonded Turntrans59.3-179.3-175.500000113.5D180 W184 E185 N198D180-G182 PolarHBondContact O-N 3.29Å; D180-G182 WeakPolarHBondContact OD1-CA 3.16Å; D180-G182 PolarHBondContact OD1-N 3.4Å; G182-W184 PolarHBondContact O-N 3.07Å; G182-W184 VanDerWaalsContact O-N 3.08Å; G182-E185 PolarHBondContact O-N 3.43Å; G182-E185 VanDerWaalsContact O-N 3.08Å; G182-N198 WeakPolarHBondContact CA-ND2 3.44Å; G182-N198 PolarHBondContact N-ND2 3.05Å
183M92.3Very high88.6Confident6 Ų617.4 Ų17.43%0.039%0.094CC..THydrogen-bonded Turntrans-67.5-12.8-176.768.9-168.5-68.700114.7R45 D136 G258 W402R45-M183 PolarHBondContact NH1-O 3.42Å; R45-M183 VanDerWaalsContact NH1-O 3.08Å; R45-M183 PolarHBondContact NH2-O 2.89Å; D136-M183 WeakPolarHBondContact OD2-CA 3.1Å; D136-M183 WeakPolarHBondContact OD2-CB 3.37Å; M183-G258 WeakPolarHBondContact SD-CA 3.44Å; M183-W402 HydrophobicContact CE-CH2 3.59Å; M183-W402 HydrophobicContact CE-CZ2 4.3Å
184W92.9Very high88.3Confident24 Ų2421.6 Ų21.69%0.09112%0.116CC..THydrogen-bonded Turntrans-98.71.7177.9-51.6126.3000113.3G182 R186 D256 R295 F296 F331 W402G182-W184 PolarHBondContact O-N 3.07Å; G182-W184 VanDerWaalsContact O-N 3.08Å; W184-R186 WeakPolarHBondContact O-CG 3.38Å; W184-R186 PolarHBondContact O-N 3Å; W184-D256 PolarHBondContact NE1-OD1 3.05Å; W184-D256 VanDerWaalsContact NE1-OD1 3.08Å; W184-D256 PolarHBondContact NE1-OD2 3.18Å; W184-R295 HydrophobicContact CD2-CG 4.46Å; W184-R295 HydrophobicContact CH2-CG 4.1Å; W184-R295 HydrophobicContact CZ2-CB 4.13Å; W184-R295 HydrophobicContact CZ2-CG 3.96Å; W184-R295 HydrophobicContact CZ3-CG 4.41Å; W184-F296 AromaticContact CD1-CD1 3.92Å; W184-F296 AromaticContact CD1-CE1 3.72Å; W184-F296 HydrophobicContact CG-CE1 4.31Å; W184-F331 HydrophobicContact CH2-CE1 4.43Å; W184-F331 AromaticContact CH2-CZ 3.77Å; W184-F331 HydrophobicContact CH2-CZ 3.77Å; W184-F331 HydrophobicContact CZ2-CE1 4.43Å; W184-F331 AromaticContact CZ2-CZ 3.79Å; W184-F331 HydrophobicContact CZ2-CZ 3.79Å; W184-W402 HydrophobicContact CH2-CH2 4.46Å; W184-W402 HydrophobicContact CZ3-CZ3 4.36Å
185E90.8Very high88.5Confident44 Ų4423.5 Ų23.521%0.20613%0.128CC..THydrogen-bonded Turntrans65.422.5174.2-31.8-171.1100.800114.3W43 W130 Q134 Y181 G182W43-E185 VanDerWaalsContact CD1-OE1 3.23Å; W43-E185 PolarHBondContact NE1-OE1 3.16Å; W43-E185 PolarHBondContact NE1-OE2 3.14Å; W130-E185 WeakPolarHBondContact CZ2-OE2 3.47Å; W130-E185 PolarHBondContact NE1-OE1 3.27Å; Q134-E185 PolarHBondContact NE2-OE1 3.16Å; Y181-E185 CarbonylContact O-C 3.53Å; Y181-E185 PolarHBondContact O-N 2.93Å; G182-E185 PolarHBondContact O-N 3.43Å; G182-E185 VanDerWaalsContact O-N 3.08Å
186R86.3Confident88.4Confident21 Ų2124.2 Ų24.28%0.07913%0.131CC..  trans-114.5-23.5-173.6-68.2-178.4166.3-160.8-17.5114.2Y181 W184 D188 N191 D299 E306 Y313Y181-R186 PolarHBondContact O-N 2.8Å; W184-R186 WeakPolarHBondContact O-CG 3.38Å; W184-R186 PolarHBondContact O-N 3Å; R186-D188 PolarHBondContact O-N 3.36Å; R186-N191 HydrophobicContact CB-CB 4.21Å; R186-N191 HydrophobicContact CG-CB 4.19Å; R186-N191 WeakPolarHBondContact CG-OD1 3.4Å; R186-D299 IonicContact NH1-OD1 2.95Å; R186-D299 PolarHBondContact NH1-OD1 2.98Å; R186-E306 IonicContact NH2-OE1 3.87Å; R186-E306 PolarHBondContact NH2-OE1 3.35Å; R186-Y313 PolarHBondContact NH1-OH 3.04Å; R186-Y313 PolarHBondContact NH2-OH 3.33Å
187G87.1Confident88.6Confident1 Ų125.5 Ų25.51%0.0114%0.138CC..SBendtrans68.1-120.7-167.600000109.3Y181 I194 K253Y181-G187 PolarHBondContact O-N 2.98Å; G187-I194 CarbonylContact C-O 3.49Å; G187-I194 WeakPolarHBondContact CA-O 3.28Å; G187-K253 PolarHBondContact O-NZ 3.2Å
188D88.1Confident89Confident4 Ų423.9 Ų23.92%0.02113%0.131CC..SBendtrans-62.3155.6177102.8-49.1000113R186 T190 N191 I194 K1119R186-D188 PolarHBondContact O-N 3.36Å; D188-T190 PolarHBondContact O-N 3.48Å; D188-T190 VanDerWaalsContact O-N 3.12Å; D188-T190 PolarHBondContact OD1-N 3.44Å; D188-T190 PolarHBondContact OD1-OG1 3.1Å; D188-T190 WeakPolarHBondContact OD2-CG2 3.47Å; D188-T190 PolarHBondContact OD2-OG1 3.42Å; D188-N191 PolarHBondContact O-N 2.99Å; D188-N191 PolarHBondContact OD1-N 2.94Å; D188-I194 HydrophobicContact CB-CB 4.4Å; D188-I194 PolarHBondContact N-O 3.07Å; D188-K1119 IonicContact OD2-NZ 3.95Å; D188-K1119 PolarHBondContact OD2-NZ 3.27Å
189K87.7Confident89.3Confident2 Ų223.6 Ų23.61%0.00913%0.129CC..THydrogen-bonded Turntrans-62.7-21.7-176.168.9163.1172.2173.10114.5N191 S252 K253 F296 L318 E1112 E1117K189-N191 PolarHBondContact O-N 2.82Å; K189-S252 VanDerWaalsContact CD-O 3.22Å; K189-S252 WeakPolarHBondContact CD-O 3.36Å; K189-S252 WeakPolarHBondContact CE-O 3.34Å; K189-S252 PolarHBondContact N-OG 3Å; K189-K253 HydrophobicContact CB-CG 4.22Å; K189-F296 HydrophobicContact CB-CE2 4.18Å; K189-L318 HydrophobicContact CD-CD1 4.22Å; K189-L318 HydrophobicContact CG-CD1 4.39Å; K189-E1112 WeakPolarHBondContact CE-O 3.41Å; K189-E1112 PolarHBondContact NZ-O 3.23Å; K189-E1117 WeakPolarHBondContact CE-OE1 3.3Å; K189-E1117 VanDerWaalsContact CE-OE2 3.25Å; K189-E1117 WeakPolarHBondContact CE-OE2 3.34Å; K189-E1117 IonicContact NZ-OE1 2.71Å; K189-E1117 PolarHBondContact NZ-OE1 3.5Å; K189-E1117 IonicContact NZ-OE2 3.33Å; K189-E1117 PolarHBondContact NZ-OE2 2.64Å
190T83Confident89.6Confident16 Ų1622.4 Ų22.410%0.09812%0.119CC..THydrogen-bonded Turntrans-71.7-1217872.40000111.3D188 Q192 L318D188-T190 PolarHBondContact O-N 3.48Å; D188-T190 VanDerWaalsContact O-N 3.12Å; D188-T190 PolarHBondContact OD1-N 3.44Å; D188-T190 PolarHBondContact OD1-OG1 3.1Å; D188-T190 WeakPolarHBondContact OD2-CG2 3.47Å; D188-T190 PolarHBondContact OD2-OG1 3.42Å; T190-Q192 VanDerWaalsContact C-N 3.26Å; T190-Q192 PolarHBondContact O-N 3.49Å; T190-Q192 WeakPolarHBondContact OG1-CG 3.34Å; T190-L318 HydrophobicContact CG2-CD1 3.96Å
191N82.9Confident89.7Confident8 Ų822.5 Ų22.54%0.04312%0.12CC..  trans54.446.8178.8-175.523.9000110.1R186 D188 K189 L311 H312 Y313R186-N191 HydrophobicContact CB-CB 4.21Å; R186-N191 HydrophobicContact CG-CB 4.19Å; R186-N191 WeakPolarHBondContact CG-OD1 3.4Å; D188-N191 PolarHBondContact O-N 2.99Å; D188-N191 PolarHBondContact OD1-N 2.94Å; K189-N191 PolarHBondContact O-N 2.82Å; N191-L311 PolarHBondContact ND2-O 3.44Å; N191-H312 WeakPolarHBondContact O-CA 3.17Å; N191-H312 VanDerWaalsContact O-CB 3.22Å; N191-H312 WeakPolarHBondContact O-CB 3.36Å; N191-H312 VanDerWaalsContact O-CG 3.24Å; N191-H312 PolarHBondContact O-ND1 2.91Å; N191-Y313 HydrophobicContact CB-CD2 3.89Å; N191-Y313 HydrophobicContact CB-CE2 4.07Å; N191-Y313 HydrophobicContact CB-CG 4.43Å
192Q83.6Confident89.8Confident78 Ų7821 Ų2136%0.36411%0.114SC..SBendtrans-100.416.4179.4-75.2-70.3-2500112.4T190 I194 Y313T190-Q192 VanDerWaalsContact C-N 3.26Å; T190-Q192 PolarHBondContact O-N 3.49Å; T190-Q192 WeakPolarHBondContact OG1-CG 3.34Å; Q192-I194 VanDerWaalsContact C-N 3.28Å; Q192-I194 HydrophobicContact CB-CD1 4.1Å; Q192-I194 HydrophobicContact CB-CG1 4.21Å; Q192-I194 PolarHBondContact O-N 3.5Å; Q192-Y313 PolarHBondContact NE2-O 3.22Å
193G82Confident90.1Very high28 Ų2820.9 Ų20.929%0.28911%0.113SC..SBendtrans73.518.5-176.200000113.9Y181 P195Y181-G193 WeakPolarHBondContact CE1-O 3.4Å; Y181-G193 PolarHBondContact OH-O 2.8Å; G193-P195 WeakPolarHBondContact O-CD 3.18Å
194I88.1Confident90.4Very high91 Ų9120.8 Ų20.847%0.46711%0.113SC..  trans-92.5113.7179.8-57.9172.1000108.8G187 D188 Q192G187-I194 CarbonylContact C-O 3.49Å; G187-I194 WeakPolarHBondContact CA-O 3.28Å; D188-I194 HydrophobicContact CB-CB 4.4Å; D188-I194 PolarHBondContact N-O 3.07Å; Q192-I194 VanDerWaalsContact C-N 3.28Å; Q192-I194 HydrophobicContact CB-CD1 4.1Å; Q192-I194 HydrophobicContact CB-CG1 4.21Å; Q192-I194 PolarHBondContact O-N 3.5Å
195P90.8Very high90.7Very high43 Ų4319.6 Ų19.628%0.27911%0.108SC..  trans-68.6149.8175.529.1-34.4000111.2T108 A179 D180 G193T108-P195 HydrophobicContact CG2-CG 4.16Å; A179-P195 HydrophobicContact CB-CB 4.09Å; D180-P195 WeakPolarHBondContact O-CA 3.4Å; G193-P195 WeakPolarHBondContact O-CD 3.18Å
196E89.6Confident91Very high18 Ų1817.6 Ų17.68%0.08410%0.099CC..BIsolated β-bridgetrans-141.2165.2174.466.6179.1-178.200110.7A179 D180 N198 S250 S252 K253A179-E196 WeakPolarHBondContact CA-O 3.1Å; D180-E196 PolarHBondContact N-O 3.33Å; D180-E196 PolarHBondContact O-N 3.32Å; E196-N198 PolarHBondContact O-N 2.84Å; E196-N198 PolarHBondContact O-ND2 3.48Å; E196-S250 WeakPolarHBondContact OE1-CB 3.46Å; E196-S250 PolarHBondContact OE1-OG 2.62Å; E196-S250 PolarHBondContact OE2-OG 3.38Å; E196-S252 PolarHBondContact OE1-OG 3.16Å; E196-S252 VanDerWaalsContact OE2-CB 3.26Å; E196-S252 WeakPolarHBondContact OE2-CB 3.44Å; E196-S252 PolarHBondContact OE2-N 3.03Å; E196-S252 PolarHBondContact OE2-OG 3.12Å; E196-K253 IonicContact OE1-NZ 3.76Å; E196-K253 PolarHBondContact OE1-NZ 3.25Å
197L90.4Very high91.6Very high37 Ų3716.6 Ų16.619%0.19410%0.095CC..  trans-73.9111.8174.9-168.868000109.1A175 V202 I241 M245 S250A175-L197 WeakPolarHBondContact O-CD1 3.44Å; L197-V202 HydrophobicContact CD1-CG2 3.86Å; L197-V202 HydrophobicContact CG-CG2 4.23Å; L197-I241 HydrophobicContact CD2-CG2 4.04Å; L197-M245 HydrophobicContact CD2-SD 3.95Å; L197-M245 HydrophobicContact CG-SD 4.29Å; L197-M245 WeakPolarHBondContact O-CE 3.35Å; L197-S250 WeakPolarHBondContact O-CB 3.36Å
198N93.4Very high92.1Very high6 Ų616.5 Ų16.53%0.0329%0.094CC..  trans-100.8123.5179.7-67.3-78.2000110.6D180 G182 E196 S200 S201 V202 K253D180-N198 PolarHBondContact O-ND2 2.67Å; D180-N198 PolarHBondContact OD1-ND2 3.44Å; G182-N198 WeakPolarHBondContact CA-ND2 3.44Å; G182-N198 PolarHBondContact N-ND2 3.05Å; E196-N198 PolarHBondContact O-N 2.84Å; E196-N198 PolarHBondContact O-ND2 3.48Å; N198-S200 VanDerWaalsContact C-N 3.26Å; N198-S200 PolarHBondContact O-N 3.35Å; N198-S201 WeakPolarHBondContact O-CB 3.4Å; N198-S201 PolarHBondContact O-N 2.65Å; N198-S201 VanDerWaalsContact O-N 3.11Å; N198-V202 PolarHBondContact O-N 3.44Å; N198-V202 VanDerWaalsContact O-N 3.13Å; N198-K253 PolarHBondContact OD1-NZ 3.24Å
199A95.3Very high92.6Very high0 Ų016.3 Ų16.30%09%0.093CC..Hα-helixtrans-61.2-33.3-179.300000112.7S201 V202 G203 L242 M245 L246 A249 L259 I262A199-S201 PolarHBondContact O-N 3.22Å; A199-V202 PolarHBondContact O-N 3Å; A199-G203 PolarHBondContact O-N 3.49Å; A199-L242 HydrophobicContact CB-CD2 4.38Å; A199-M245 HydrophobicContact CB-CE 4.1Å; A199-M245 HydrophobicContact CB-SD 4.47Å; A199-L246 HydrophobicContact CB-CD2 4.32Å; A199-A249 WeakPolarHBondContact CB-O 3.38Å; A199-A249 PolarHBondContact N-O 3.34Å; A199-L259 HydrophobicContact CB-CD2 3.79Å; A199-I262 WeakPolarHBondContact O-CD1 3.24Å
200S96.3Very high93Very high7 Ų719 Ų195%0.04911%0.106CC..Hα-helixtrans-61.7-40.6174.652.50000112.5N198 M204 I262N198-S200 VanDerWaalsContact C-N 3.26Å; N198-S200 PolarHBondContact O-N 3.35Å; S200-M204 WeakPolarHBondContact O-CB 3.32Å; S200-M204 PolarHBondContact O-N 2.87Å; S200-I262 WeakPolarHBondContact O-CG2 3.34Å
201S97.3Very high93.7Very high4 Ų418.5 Ų18.53%0.02810%0.103CC..Hα-helixtrans-66.4-45.3174.8-60.50000112.1D180 N198 A199 M204 A205D180-S201 PolarHBondContact OD1-OG 3.29Å; D180-S201 VanDerWaalsContact OD2-CB 3.23Å; D180-S201 WeakPolarHBondContact OD2-CB 3.38Å; D180-S201 PolarHBondContact OD2-OG 2.77Å; N198-S201 WeakPolarHBondContact O-CB 3.4Å; N198-S201 PolarHBondContact O-N 2.65Å; N198-S201 VanDerWaalsContact O-N 3.11Å; A199-S201 PolarHBondContact O-N 3.22Å; S201-M204 PolarHBondContact O-N 2.84Å; S201-A205 WeakPolarHBondContact O-CB 3.34Å; S201-A205 PolarHBondContact O-N 2.75Å
202V96.7Very high94.3Very high0 Ų018.1 Ų18.10%010%0.101CC..Hα-helixtrans-62.3-44.2177.2179.10000111.2L197 N198 A199 A205 K206 C238 I241 L242L197-V202 HydrophobicContact CD1-CG2 3.86Å; L197-V202 HydrophobicContact CG-CG2 4.23Å; N198-V202 PolarHBondContact O-N 3.44Å; N198-V202 VanDerWaalsContact O-N 3.13Å; A199-V202 PolarHBondContact O-N 3Å; V202-A205 PolarHBondContact O-N 3.25Å; V202-K206 WeakPolarHBondContact O-CB 3.42Å; V202-K206 PolarHBondContact O-N 3.16Å; V202-C238 HydrophobicContact CG1-CB 3.84Å; V202-I241 HydrophobicContact CG1-CB 4.09Å; V202-I241 HydrophobicContact CG1-CG2 4.09Å; V202-I241 HydrophobicContact CG2-CG2 4.29Å; V202-L242 HydrophobicContact CB-CD2 4.29Å; V202-L242 HydrophobicContact CG1-CD2 4.22Å; V202-L242 HydrophobicContact CG1-CG 4.14Å
203G97.6Very high94.9Very high0 Ų016.6 Ų16.60%010%0.096CC..Hα-helixtrans-65.4-41178.800000112.8A199 A207 A269A199-G203 PolarHBondContact O-N 3.49Å; G203-A207 WeakPolarHBondContact O-CB 3.31Å; G203-A207 PolarHBondContact O-N 3.09Å; G203-A207 VanDerWaalsContact O-N 3.07Å; G203-A269 WeakPolarHBondContact O-CB 3.47Å
204M98.4Very high95.4Very high4 Ų419 Ų192%0.0210%0.099CC..Hα-helixtrans-66.8-41.1175.5-164.660.462.400111.7L140 L143 S200 S201 A207 A208 P266 A267L140-M204 HydrophobicContact CB-CG 4.15Å; L140-M204 HydrophobicContact CB-SD 4.29Å; L140-M204 HydrophobicContact CD1-CE 3.95Å; L140-M204 HydrophobicContact CD1-SD 3.68Å; L143-M204 HydrophobicContact CD2-SD 3.67Å; S200-M204 WeakPolarHBondContact O-CB 3.32Å; S200-M204 PolarHBondContact O-N 2.87Å; S201-M204 PolarHBondContact O-N 2.84Å; M204-A207 PolarHBondContact O-N 2.89Å; M204-A208 WeakPolarHBondContact O-CB 3.14Å; M204-A208 PolarHBondContact O-N 3.31Å; M204-P266 HydrophobicContact CE-CG 4.18Å; M204-A267 HydrophobicContact CE-CB 4.03Å; M204-A267 HydrophobicContact SD-CB 3.98Å
205A98.4Very high95.7Very high0 Ų015.8 Ų15.80%08%0.083CC..Hα-helixtrans-61.9-48.3175.900000111.9V135 S139 A175 S201 V202 A207 A208 L209V135-A205 HydrophobicContact CG1-CB 4.21Å; S139-A205 VanDerWaalsContact OG-CA 3.24Å; S139-A205 WeakPolarHBondContact OG-CA 3.25Å; S139-A205 WeakPolarHBondContact OG-CB 3.46Å; A175-A205 HydrophobicContact CB-CB 3.35Å; S201-A205 WeakPolarHBondContact O-CB 3.34Å; S201-A205 PolarHBondContact O-N 2.75Å; V202-A205 PolarHBondContact O-N 3.25Å; A205-A207 VanDerWaalsContact C-N 3.26Å; A205-A207 PolarHBondContact O-N 3.13Å; A205-A208 PolarHBondContact O-N 3.43Å; A205-L209 WeakPolarHBondContact O-CB 3.47Å; A205-L209 VanDerWaalsContact O-CG 3.23Å; A205-L209 WeakPolarHBondContact O-CG 3.45Å; A205-L209 PolarHBondContact O-N 3.34Å
206K97.9Very high95.9Very high1 Ų115.3 Ų15.30%0.0048%0.078CC..Hα-helixtrans-51.8-48.9173.4-177.4179.1-177.2-87.70111.2V202 A208 L209 E210 V235 C238 Q239 L242 A269 E271V202-K206 WeakPolarHBondContact O-CB 3.42Å; V202-K206 PolarHBondContact O-N 3.16Å; K206-A208 PolarHBondContact O-N 3.2Å; K206-L209 PolarHBondContact O-N 3.27Å; K206-E210 VanDerWaalsContact CE-OE1 3.3Å; K206-E210 WeakPolarHBondContact CE-OE1 3.47Å; K206-E210 IonicContact NZ-OE1 3.21Å; K206-E210 PolarHBondContact NZ-OE1 3.13Å; K206-E210 IonicContact NZ-OE2 2.78Å; K206-E210 WeakPolarHBondContact O-CG 3.4Å; K206-E210 PolarHBondContact O-N 3.14Å; K206-V235 HydrophobicContact CG-CG1 4.1Å; K206-C238 HydrophobicContact CB-CB 3.82Å; K206-C238 HydrophobicContact CD-CB 4.42Å; K206-C238 HydrophobicContact CG-CB 4.23Å; K206-Q239 HydrophobicContact CD-CB 4.28Å; K206-L242 HydrophobicContact CD-CD1 3.78Å; K206-A269 HydrophobicContact CD-CB 4.48Å; K206-A269 WeakPolarHBondContact CE-O 3.22Å; K206-A269 PolarHBondContact NZ-O 2.98Å; K206-E271 IonicContact NZ-OE1 2.7Å
207A98.1Very high96.1Very high0 Ų014.5 Ų14.50%07%0.074CC..Hα-helixtrans-65.7-38.8-178.200000113.3L143 G203 M204 A205 A211 A267 A269 R428L143-A207 HydrophobicContact CD1-CB 4.48Å; L143-A207 HydrophobicContact CD2-CB 4.36Å; G203-A207 WeakPolarHBondContact O-CB 3.31Å; G203-A207 PolarHBondContact O-N 3.09Å; G203-A207 VanDerWaalsContact O-N 3.07Å; M204-A207 PolarHBondContact O-N 2.89Å; A205-A207 VanDerWaalsContact C-N 3.26Å; A205-A207 PolarHBondContact O-N 3.13Å; A207-A211 WeakPolarHBondContact O-CB 3.32Å; A207-A211 PolarHBondContact O-N 3.28Å; A207-A267 HydrophobicContact CB-CB 3.49Å; A207-A267 VanDerWaalsContact CB-CB 3.49Å; A207-A267 WeakPolarHBondContact CB-O 3.23Å; A207-A269 HydrophobicContact CB-CB 4.44Å; A207-R428 VanDerWaalsContact CA-CZ 3.44Å; A207-R428 VanDerWaalsContact CB-NH2 3.28Å; A207-R428 PolarHBondContact O-NH1 2.94Å
208A98.6Very high96.4Very high0 Ų014.5 Ų14.50%07%0.073CC..Hα-helixtrans-64.9-45.7175.800000112.1S139 L142 L143 I172 M204 A205 K206 A211 I212S139-A208 WeakPolarHBondContact O-CB 3.48Å; L142-A208 HydrophobicContact CB-CB 4.02Å; L143-A208 HydrophobicContact CB-CB 4.22Å; I172-A208 HydrophobicContact CD1-CB 3.8Å; M204-A208 WeakPolarHBondContact O-CB 3.14Å; M204-A208 PolarHBondContact O-N 3.31Å; A205-A208 PolarHBondContact O-N 3.43Å; K206-A208 PolarHBondContact O-N 3.2Å; A208-A211 PolarHBondContact O-N 3.01Å; A208-I212 WeakPolarHBondContact O-CB 3.15Å; A208-I212 VanDerWaalsContact O-CG2 3.31Å; A208-I212 WeakPolarHBondContact O-CG2 3.28Å; A208-I212 PolarHBondContact O-N 3.41Å
209L98.3Very high96.2Very high0 Ų015.4 Ų15.40%08%0.084CC..Hα-helixtrans-59.1-49.2177.6-72.3173.5000111.4V169 I172 E173 A205 K206 A211 D213 V230 V235V169-L209 HydrophobicContact CG1-CD2 3.84Å; I172-L209 HydrophobicContact CD1-CD2 3.85Å; I172-L209 HydrophobicContact CD1-CG 3.86Å; I172-L209 HydrophobicContact CG1-CD2 3.87Å; I172-L209 HydrophobicContact CG1-CG 4.27Å; E173-L209 HydrophobicContact CB-CD2 4.49Å; A205-L209 WeakPolarHBondContact O-CB 3.47Å; A205-L209 VanDerWaalsContact O-CG 3.23Å; A205-L209 WeakPolarHBondContact O-CG 3.45Å; A205-L209 PolarHBondContact O-N 3.34Å; K206-L209 PolarHBondContact O-N 3.27Å; L209-A211 VanDerWaalsContact C-N 3.34Å; L209-A211 PolarHBondContact O-N 3.11Å; L209-D213 PolarHBondContact O-N 3.05Å; L209-V230 HydrophobicContact CB-CG1 4Å; L209-V230 HydrophobicContact CD2-CG1 3.91Å; L209-V230 HydrophobicContact CD2-CG2 4.41Å; L209-V230 HydrophobicContact CG-CG1 4.46Å; L209-V230 WeakPolarHBondContact O-CG2 3.18Å; L209-V235 HydrophobicContact CB-CG2 3.84Å; L209-V235 HydrophobicContact CD1-CG2 4.36Å
210E96.4Very high95.6Very high57 Ų5720.5 Ų20.527%0.26613%0.126SC..Hα-helixtrans-65.4-34.5176.2-74.3172168.100113.2K206 V235 R428K206-E210 VanDerWaalsContact CE-OE1 3.3Å; K206-E210 WeakPolarHBondContact CE-OE1 3.47Å; K206-E210 IonicContact NZ-OE1 3.21Å; K206-E210 PolarHBondContact NZ-OE1 3.13Å; K206-E210 IonicContact NZ-OE2 2.78Å; K206-E210 WeakPolarHBondContact O-CG 3.4Å; K206-E210 PolarHBondContact O-N 3.14Å; E210-V235 HydrophobicContact CG-CG1 3.55Å; E210-V235 HydrophobicContact CG-CG2 4.44Å; E210-R428 IonicContact OE2-CZ 2.57Å; E210-R428 IonicContact OE2-NH1 3.75Å; E210-R428 PolarHBondContact OE2-NH1 3.11Å; E210-R428 IonicContact OE2-NH2 2.67Å; E210-R428 PolarHBondContact OE2-NH2 2.85Å
211A97.1Very high94.8Very high6 Ų628.2 Ų28.25%0.0516%0.161CC..Hα-helixtrans-74.1-34.1-177.500000113L143 A146 A207 A208 L209 L426L143-A211 HydrophobicContact CD1-CB 3.61Å; A146-A211 HydrophobicContact CB-CB 3.92Å; A207-A211 WeakPolarHBondContact O-CB 3.32Å; A207-A211 PolarHBondContact O-N 3.28Å; A208-A211 PolarHBondContact O-N 3.01Å; L209-A211 VanDerWaalsContact C-N 3.34Å; L209-A211 PolarHBondContact O-N 3.11Å; A211-L426 HydrophobicContact CB-CD1 3.85Å; A211-L426 WeakPolarHBondContact O-CD1 3.33Å
212I96.9Very high94Very high0 Ų029.4 Ų29.40%017%0.174CC..Hα-helixtrans-91.9-14.6-175.5-154.3169.5000113.2L142 A146 I165 V169 A208 E214 L215 L217 I228 V230L142-I212 HydrophobicContact CB-CD1 4.48Å; L142-I212 HydrophobicContact CD2-CD1 3.92Å; A146-I212 HydrophobicContact CB-CB 4.4Å; I165-I212 HydrophobicContact CG2-CD1 3.56Å; V169-I212 HydrophobicContact CG2-CD1 4.45Å; V169-I212 HydrophobicContact CG2-CG2 3.88Å; A208-I212 WeakPolarHBondContact O-CB 3.15Å; A208-I212 VanDerWaalsContact O-CG2 3.31Å; A208-I212 WeakPolarHBondContact O-CG2 3.28Å; A208-I212 PolarHBondContact O-N 3.41Å; I212-E214 PolarHBondContact O-N 3.16Å; I212-L215 VanDerWaalsContact O-CB 3.29Å; I212-L215 WeakPolarHBondContact O-CB 3.3Å; I212-L215 PolarHBondContact O-N 3.3Å; I212-L217 HydrophobicContact CD1-CD2 4.45Å; I212-I228 HydrophobicContact CD1-CG1 4.36Å; I212-I228 HydrophobicContact CD1-CG2 4.31Å; I212-I228 HydrophobicContact CG1-CB 4.15Å; I212-I228 HydrophobicContact CG1-CG1 4.23Å; I212-I228 HydrophobicContact CG1-CG2 4.01Å; I212-I228 HydrophobicContact CG2-CG2 4.01Å; I212-V230 HydrophobicContact CG2-CG2 3.9Å
213D95.1Very high93.3Very high46 Ų4631.2 Ų31.225%0.24619%0.192CC..THydrogen-bonded Turntrans-60.3131.4179-167.836.2000111.8L209 L215 V230L209-D213 PolarHBondContact O-N 3.05Å; D213-L215 PolarHBondContact O-N 3.3Å; D213-V230 HydrophobicContact CB-CB 3.87Å; D213-V230 HydrophobicContact CB-CG2 3.94Å; D213-V230 WeakPolarHBondContact OD1-CB 3.34Å; D213-V230 PolarHBondContact OD1-N 2.89Å
214E92Very high92.6Very high78 Ų7839 Ų3936%0.36422%0.221SC..THydrogen-bonded Turntrans55.718.1-177.4-58.6-70.4147.700114.1I212 I228 H229 T614I212-E214 PolarHBondContact O-N 3.16Å; E214-I228 WeakPolarHBondContact CA-O 3.4Å; E214-I228 PolarHBondContact N-O 3.25Å; E214-H229 IonicContact OE1-CE1 2.79Å; E214-H229 IonicContact OE1-ND1 3.53Å; E214-H229 PolarHBondContact OE1-ND1 3.43Å; E214-T614 PolarHBondContact OE1-OG1 3.02Å
215L94.4Very high91.9Very high25 Ų2543.1 Ų43.113%0.13124%0.239CC..  trans-83.9130.7175.7-17572.8000111.1A146 I212 D213 L217 V227 I228A146-L215 VanDerWaalsContact CA-CD2 3.46Å; A146-L215 HydrophobicContact CB-CD2 3.65Å; I212-L215 VanDerWaalsContact O-CB 3.29Å; I212-L215 WeakPolarHBondContact O-CB 3.3Å; I212-L215 PolarHBondContact O-N 3.3Å; D213-L215 PolarHBondContact O-N 3.3Å; L215-L217 HydrophobicContact CD2-CD2 4.34Å; L215-L217 PolarHBondContact O-N 3Å; L215-V227 WeakPolarHBondContact O-CA 3.46Å; L215-I228 PolarHBondContact O-N 3.02Å; L215-I228 VanDerWaalsContact O-N 3.1Å
216D95Very high91.6Very high33 Ų3343.2 Ų43.218%0.17624%0.24CC..BIsolated β-bridgetrans-81.2112.5168.5-167.5-29.8000111.1F218 G219 G222 G223 S226 V227D216-F218 PolarHBondContact O-N 3.04Å; D216-F218 PolarHBondContact OD1-N 2.85Å; D216-G219 PolarHBondContact O-N 3.18Å; D216-G222 WeakPolarHBondContact OD1-CA 3.41Å; D216-G222 WeakPolarHBondContact OD2-CA 3.06Å; D216-G223 PolarHBondContact OD2-N 2.87Å; D216-S226 VanDerWaalsContact CG-OG 3.3Å; D216-S226 VanDerWaalsContact OD1-CB 3.29Å; D216-S226 WeakPolarHBondContact OD1-CB 3.37Å; D216-S226 PolarHBondContact OD1-OG 3.23Å; D216-S226 PolarHBondContact OD2-OG 3.42Å; D216-V227 HydrophobicContact CB-CG2 4.33Å
217L95.6Very high91.4Very high0 Ų044.5 Ų44.50%025%0.248CC..THydrogen-bonded Turntrans-68.7-14.4-177.2-67.5-179.1000114.6L145 I156 V162 I165 I212 L215 G219 S226 I228L145-L217 HydrophobicContact CD2-CD2 4.22Å; L145-L217 HydrophobicContact CG-CD2 4.43Å; I156-L217 HydrophobicContact CB-CB 4.08Å; I156-L217 HydrophobicContact CG1-CB 4.1Å; I156-L217 HydrophobicContact CG1-CD1 4.29Å; I156-L217 HydrophobicContact CG2-CB 4.27Å; V162-L217 HydrophobicContact CB-CD1 4.41Å; V162-L217 HydrophobicContact CG1-CD1 4.33Å; V162-L217 HydrophobicContact CG2-CB 4.33Å; V162-L217 HydrophobicContact CG2-CD1 4.17Å; I165-L217 HydrophobicContact CB-CD1 3.8Å; I165-L217 HydrophobicContact CG1-CD1 4.04Å; I165-L217 HydrophobicContact CG2-CD1 3.73Å; I212-L217 HydrophobicContact CD1-CD2 4.45Å; L215-L217 HydrophobicContact CD2-CD2 4.34Å; L215-L217 PolarHBondContact O-N 3Å; L217-G219 VanDerWaalsContact C-N 3.32Å; L217-S226 PolarHBondContact N-O 2.91Å; L217-I228 HydrophobicContact CD1-CD1 3.66Å; L217-I228 HydrophobicContact CD1-CG1 3.55Å; L217-I228 HydrophobicContact CD2-CG1 4.24Å; L217-I228 HydrophobicContact CG-CD1 4.38Å; L217-I228 HydrophobicContact CG-CG1 3.76Å
218F94.9Very high91.3Very high37 Ų3744.5 Ų44.516%0.16225%0.248CC..THydrogen-bonded Turntrans-91.93.6171.4-65.4-22.3000112.5I156 L159 V162 D216 G222 S226I156-F218 HydrophobicContact CB-CE1 4.49Å; I156-F218 HydrophobicContact CG2-CD1 4.41Å; I156-F218 HydrophobicContact CG2-CE1 3.97Å; I156-F218 VanDerWaalsContact O-CD1 3.31Å; I156-F218 WeakPolarHBondContact O-CD1 3.35Å; L159-F218 HydrophobicContact CD2-CE2 4.1Å; L159-F218 HydrophobicContact CD2-CZ 4.31Å; V162-F218 HydrophobicContact CG2-CE1 4.15Å; V162-F218 HydrophobicContact CG2-CZ 4.12Å; D216-F218 PolarHBondContact O-N 3.04Å; D216-F218 PolarHBondContact OD1-N 2.85Å; F218-G222 VanDerWaalsContact CB-CA 3.42Å; F218-S226 VanDerWaalsContact CD2-CB 3.49Å; F218-S226 WeakPolarHBondContact CD2-OG 3.49Å
219G90.1Very high91.1Very high25 Ų2544.8 Ų44.826%0.25825%0.249SC..G310 helixtrans63.4-142-179.800000112D216 L217 H221 G222D216-G219 PolarHBondContact O-N 3.18Å; L217-G219 VanDerWaalsContact C-N 3.32Å; G219-H221 PolarHBondContact O-N 2.91Å; G219-G222 PolarHBondContact O-N 2.94Å
220A83.6Confident90.9Very high107 Ų10745.1 Ų45.188%0.88425%0.251SS*.G310 helixtrans-62.8-12.2-177.100000115
221H79.6Confident90.8Very high170 Ų17042.6 Ų42.679%0.78724%0.239SC*.G310 helixtrans-105.46.1179.9-58.4-54.1000113.1G219G219-H221 PolarHBondContact O-N 2.91Å
222G80.2Confident90.6Very high29 Ų2943.2 Ų43.230%0.29924%0.243SC..  trans-82.2-179.5-17900000114.9D216 F218 G219D216-G222 WeakPolarHBondContact OD1-CA 3.41Å; D216-G222 WeakPolarHBondContact OD2-CA 3.06Å; F218-G222 VanDerWaalsContact CB-CA 3.42Å; G219-G222 PolarHBondContact O-N 2.94Å
223G82.2Confident90.2Very high37 Ų3743.8 Ų43.838%0.38125%0.246SC..  trans-142177.8176.400000110.6D216 K225 S226D216-G223 PolarHBondContact OD2-N 2.87Å; G223-K225 PolarHBondContact O-N 2.96Å; G223-S226 PolarHBondContact N-OG 2.75Å; G223-S226 PolarHBondContact O-N 3.25Å; G223-S226 PolarHBondContact O-OG 3.01Å
224R81.4Confident90Very high164 Ų16442.2 Ų42.262%0.61924%0.237SC*.THydrogen-bonded Turntrans-60.7-13.9-173.3-51.5-175.3-178.2169.6-7115.1T617R224-T617 HydrophobicContact CB-CG2 3.77Å; R224-T617 WeakPolarHBondContact CB-OG1 3.46Å; R224-T617 HydrophobicContact CG-CG2 4.2Å; R224-T617 PolarHBondContact O-OG1 3.18Å
225K83.8Confident90.1Very high91 Ų9139.4 Ų39.440%0.39623%0.225SC..THydrogen-bonded Turntrans-84.2-14.4175.7-66.4-171.2178.6-174.70113.5L159 G223 D622L159-K225 HydrophobicContact CD1-CD 4.49Å; L159-K225 HydrophobicContact CD2-CB 3.95Å; G223-K225 PolarHBondContact O-N 2.96Å; K225-D622 PolarHBondContact NZ-O 3.33Å; K225-D622 VanDerWaalsContact NZ-O 3.08Å
226S91.8Very high89.9Confident2 Ų239.5 Ų39.51%0.01423%0.225CC..SBendtrans-101.36.9177.6470000113.8D216 L217 F218 G223D216-S226 VanDerWaalsContact CG-OG 3.3Å; D216-S226 VanDerWaalsContact OD1-CB 3.29Å; D216-S226 WeakPolarHBondContact OD1-CB 3.37Å; D216-S226 PolarHBondContact OD1-OG 3.23Å; D216-S226 PolarHBondContact OD2-OG 3.42Å; L217-S226 PolarHBondContact N-O 2.91Å; F218-S226 VanDerWaalsContact CD2-CB 3.49Å; F218-S226 WeakPolarHBondContact CD2-OG 3.49Å; G223-S226 PolarHBondContact N-OG 2.75Å; G223-S226 PolarHBondContact O-N 3.25Å; G223-S226 PolarHBondContact O-OG 3.01Å
227V93.7Very high89.5Confident28 Ų2839.3 Ų39.317%0.1722%0.223CC..BIsolated β-bridgetrans-80.4132.7175.7179.20000110L215 D216L215-V227 WeakPolarHBondContact O-CA 3.46Å; D216-V227 HydrophobicContact CB-CG2 4.33Å
228I95.9Very high89.4Confident0 Ų039.3 Ų39.30%022%0.223CC..  trans-91.9138.6173.6-63.4-61.8000109.7V162 I165 Q166 V169 I212 E214 L215 L217V162-I228 HydrophobicContact CG1-CD1 4.1Å; I165-I228 HydrophobicContact CB-CD1 4.35Å; I165-I228 HydrophobicContact CG2-CD1 4.04Å; I165-I228 HydrophobicContact CG2-CG1 4.25Å; Q166-I228 HydrophobicContact CB-CD1 3.87Å; V169-I228 HydrophobicContact CG2-CG2 3.8Å; I212-I228 HydrophobicContact CD1-CG1 4.36Å; I212-I228 HydrophobicContact CD1-CG2 4.31Å; I212-I228 HydrophobicContact CG1-CB 4.15Å; I212-I228 HydrophobicContact CG1-CG1 4.23Å; I212-I228 HydrophobicContact CG1-CG2 4.01Å; I212-I228 HydrophobicContact CG2-CG2 4.01Å; E214-I228 WeakPolarHBondContact CA-O 3.4Å; E214-I228 PolarHBondContact N-O 3.25Å; L215-I228 PolarHBondContact O-N 3.02Å; L215-I228 VanDerWaalsContact O-N 3.1Å; L217-I228 HydrophobicContact CD1-CD1 3.66Å; L217-I228 HydrophobicContact CD1-CG1 3.55Å; L217-I228 HydrophobicContact CD2-CG1 4.24Å; L217-I228 HydrophobicContact CG-CD1 4.38Å; L217-I228 HydrophobicContact CG-CG1 3.76Å
229H94.7Very high89.2Confident6 Ų638.2 Ų38.23%0.02822%0.218CC..  trans-115.6135177.1-58-78.7000111.1Q166 E214 L486 Y615Q166-H229 PolarHBondContact NE2-O 3.07Å; E214-H229 IonicContact OE1-CE1 2.79Å; E214-H229 IonicContact OE1-ND1 3.53Å; E214-H229 PolarHBondContact OE1-ND1 3.43Å; H229-L486 HydrophobicContact CB-CD2 3.92Å; H229-Y615 PolarHBondContact CE1-O 3.45Å; H229-Y615 VanDerWaalsContact CE1-O 3.3Å
230V95.3Very high89Confident6 Ų638.4 Ų38.44%0.03622%0.215CC..  trans-122.1142.5175.5-179.10000109.6V169 L209 I212 D213 V235V169-V230 HydrophobicContact CG1-CG2 3.86Å; L209-V230 HydrophobicContact CB-CG1 4Å; L209-V230 HydrophobicContact CD2-CG1 3.91Å; L209-V230 HydrophobicContact CD2-CG2 4.41Å; L209-V230 HydrophobicContact CG-CG1 4.46Å; L209-V230 WeakPolarHBondContact O-CG2 3.18Å; I212-V230 HydrophobicContact CG2-CG2 3.9Å; D213-V230 HydrophobicContact CB-CB 3.87Å; D213-V230 HydrophobicContact CB-CG2 3.94Å; D213-V230 WeakPolarHBondContact OD1-CB 3.34Å; D213-V230 PolarHBondContact OD1-N 2.89Å; V230-V235 HydrophobicContact CG1-CG2 3.97Å
231L92.6Very high89.2Confident5 Ų533.5 Ų33.53%0.02618%0.175CC..  trans-84.3128174.4-70.1172.2000110.2D233 E234 Y483 I502L231-D233 PolarHBondContact O-N 2.98Å; L231-E234 HydrophobicContact CB-CG 4.11Å; L231-E234 PolarHBondContact O-N 3.36Å; L231-Y483 HydrophobicContact CD2-CD1 4.27Å; L231-Y483 HydrophobicContact CD2-CD2 4.41Å; L231-Y483 HydrophobicContact CD2-CE1 3.94Å; L231-Y483 HydrophobicContact CD2-CE2 4.07Å; L231-Y483 HydrophobicContact CD2-CG 4.49Å; L231-I502 HydrophobicContact CD1-CG1 4.06Å; L231-I502 HydrophobicContact CD2-CD1 4.24Å; L231-I502 HydrophobicContact CD2-CG1 4.28Å; L231-I502 HydrophobicContact CD2-CG2 4.38Å
232P92.9Very high89.8Confident18 Ų1825.4 Ų25.412%0.11714%0.137CC..Hα-helixtrans-66.6-27-177.528.3-36.8000112.6E234 V235 E236 L505 M556P232-E234 VanDerWaalsContact C-N 3.31Å; P232-E234 PolarHBondContact O-N 2.97Å; P232-V235 PolarHBondContact O-N 2.94Å; P232-E236 PolarHBondContact O-N 3.49Å; P232-L505 HydrophobicContact CB-CB 4.03Å; P232-L505 HydrophobicContact CB-CD1 4.43Å; P232-L505 HydrophobicContact CG-CB 3.7Å; P232-M556 HydrophobicContact CB-CE 4.3Å; P232-M556 HydrophobicContact CB-SD 4.35Å; P232-M556 HydrophobicContact CG-CE 4.28Å; P232-M556 HydrophobicContact CG-SD 4.45Å
233D90.5Very high90.2Very high13 Ų1329.9 Ų29.97%0.0715%0.149CC..Hα-helixtrans-60.7-39.4177.4-54.9-85.1000111.5L231 E236 H237 G503 V504 L505 G506L231-D233 PolarHBondContact O-N 2.98Å; D233-E236 PolarHBondContact O-N 3.46Å; D233-H237 PolarHBondContact O-CD2 3.18Å; D233-H237 PolarHBondContact O-N 3.11Å; D233-G503 WeakPolarHBondContact OD1-CA 3.3Å; D233-G503 PolarHBondContact OD2-N 2.96Å; D233-V504 PolarHBondContact OD1-N 3.04Å; D233-L505 WeakPolarHBondContact OD1-CB 3.34Å; D233-L505 PolarHBondContact OD1-N 3.11Å; D233-L505 VanDerWaalsContact OD1-N 3.09Å; D233-G506 PolarHBondContact OD2-N 3.41Å
234E89.9Confident90.3Very high13 Ų1329.1 Ų29.16%0.06114%0.137CC..Hα-helixtrans-69.1-36.5179.2-52-68.5172.400111.7E173 Y176 L231 P232 H237 C238 R497E173-E234 HydrophobicContact CB-CB 4.16Å; E173-E234 HydrophobicContact CB-CG 4.15Å; Y176-E234 VanDerWaalsContact CE1-OE2 3.29Å; Y176-E234 WeakPolarHBondContact CE1-OE2 3.42Å; Y176-E234 PolarHBondContact OH-OE2 3.29Å; L231-E234 HydrophobicContact CB-CG 4.11Å; L231-E234 PolarHBondContact O-N 3.36Å; P232-E234 VanDerWaalsContact C-N 3.31Å; P232-E234 PolarHBondContact O-N 2.97Å; E234-H237 PolarHBondContact O-N 3.38Å; E234-C238 PolarHBondContact O-N 3.22Å; E234-R497 IonicContact OE1-NH2 3.69Å; E234-R497 PolarHBondContact OE1-NH2 3.5Å
235V93.8Very high90.6Very high19 Ų1921.5 Ų21.512%0.11511%0.109CC..Hα-helixtrans-64.3-43.5175176.20000110.9K206 L209 E210 V230 P232 H237 C238 Q239K206-V235 HydrophobicContact CG-CG1 4.1Å; L209-V235 HydrophobicContact CB-CG2 3.84Å; L209-V235 HydrophobicContact CD1-CG2 4.36Å; E210-V235 HydrophobicContact CG-CG1 3.55Å; E210-V235 HydrophobicContact CG-CG2 4.44Å; V230-V235 HydrophobicContact CG1-CG2 3.97Å; P232-V235 PolarHBondContact O-N 2.94Å; V235-H237 VanDerWaalsContact C-N 3.35Å; V235-C238 WeakPolarHBondContact O-CB 3.26Å; V235-C238 PolarHBondContact O-N 2.88Å; V235-Q239 PolarHBondContact O-N 3.13Å
236E90.3Very high91.1Very high26 Ų2617.6 Ų17.612%0.1219%0.092CC..Hα-helixtrans-69.4-32.5-179.9-172.357.9-153.700112.1P232 D233 C238 Q239 S240 L505 Y549 C553P232-E236 PolarHBondContact O-N 3.49Å; D233-E236 PolarHBondContact O-N 3.46Å; E236-C238 PolarHBondContact O-N 3.27Å; E236-Q239 WeakPolarHBondContact O-CB 3.41Å; E236-Q239 PolarHBondContact O-N 2.84Å; E236-S240 PolarHBondContact O-N 2.8Å; E236-L505 HydrophobicContact CB-CD1 3.73Å; E236-L505 HydrophobicContact CG-CD1 4.13Å; E236-Y549 HydrophobicContact CG-CE2 4.11Å; E236-Y549 WeakPolarHBondContact CG-OH 3.18Å; E236-C553 VanDerWaalsContact CD-SG 3.55Å; E236-C553 HydrophobicContact CG-CB 3.86Å; E236-C553 PolarHBondContact OE1-SG 3.39Å
237H87.4Confident91.2Very high29 Ų2919 Ų1913%0.13410%0.101CC..Hα-helixtrans-58.9-47.2169.3-74.1-57.8000111.2Y176 D233 E234 V235 Q239 S240 I241 D843Y176-H237 HydrophobicContact CD1-CB 3.75Å; Y176-H237 HydrophobicContact CD2-CB 4.11Å; Y176-H237 HydrophobicContact CE1-CB 4.02Å; Y176-H237 HydrophobicContact CE2-CB 4.36Å; Y176-H237 HydrophobicContact CG-CB 3.79Å; D233-H237 PolarHBondContact O-CD2 3.18Å; D233-H237 PolarHBondContact O-N 3.11Å; E234-H237 PolarHBondContact O-N 3.38Å; V235-H237 VanDerWaalsContact C-N 3.35Å; H237-Q239 VanDerWaalsContact C-N 3.33Å; H237-Q239 PolarHBondContact O-N 3.49Å; H237-S240 PolarHBondContact O-N 3.15Å; H237-I241 WeakPolarHBondContact O-CG1 3.26Å; H237-I241 PolarHBondContact O-N 3.25Å; H237-I241 VanDerWaalsContact O-N 3.11Å; H237-D843 IonicContact CE1-OD1 2.71Å; H237-D843 IonicContact ND1-OD1 2.99Å
238C92.3Very high91.1Very high0 Ų021.1 Ų21.10%011%0.106CC..Hα-helixtrans-60.2-40.5174.1-67.30000112.5V202 K206 E234 V235 E236 S240 I241 L242V202-C238 HydrophobicContact CG1-CB 3.84Å; K206-C238 HydrophobicContact CB-CB 3.82Å; K206-C238 HydrophobicContact CD-CB 4.42Å; K206-C238 HydrophobicContact CG-CB 4.23Å; E234-C238 PolarHBondContact O-N 3.22Å; V235-C238 WeakPolarHBondContact O-CB 3.26Å; V235-C238 PolarHBondContact O-N 2.88Å; E236-C238 PolarHBondContact O-N 3.27Å; C238-S240 PolarHBondContact O-N 3Å; C238-I241 PolarHBondContact O-N 3.46Å; C238-L242 WeakPolarHBondContact O-CG 3.25Å; C238-L242 PolarHBondContact O-N 2.59Å
239Q91.4Very high91Very high15 Ų1521.3 Ų21.37%0.0711%0.107CC..Hα-helixtrans-59.2-46175.3178.853.728.500111.9K206 V235 E236 H237 I241 L242 F243 A269K206-Q239 HydrophobicContact CD-CB 4.28Å; V235-Q239 PolarHBondContact O-N 3.13Å; E236-Q239 WeakPolarHBondContact O-CB 3.41Å; E236-Q239 PolarHBondContact O-N 2.84Å; H237-Q239 VanDerWaalsContact C-N 3.33Å; H237-Q239 PolarHBondContact O-N 3.49Å; Q239-I241 VanDerWaalsContact C-N 3.32Å; Q239-I241 PolarHBondContact O-N 3.03Å; Q239-L242 PolarHBondContact O-N 3.39Å; Q239-F243 PolarHBondContact O-N 3.43Å; Q239-A269 PolarHBondContact OE1-O 2.62Å
240S86.3Confident90.9Very high28 Ų2821.2 Ų21.220%0.19611%0.108CC..Hα-helixtrans-61.7-39.5178.6-176.10000112.1E236 H237 C238 S244E236-S240 PolarHBondContact O-N 2.8Å; H237-S240 PolarHBondContact O-N 3.15Å; C238-S240 PolarHBondContact O-N 3Å; S240-S244 PolarHBondContact O-N 3.12Å; S240-S244 VanDerWaalsContact O-N 3.16Å; S240-S244 PolarHBondContact O-OG 3.22Å
241I86.8Confident90.5Very high5 Ų523.3 Ų23.33%0.02612%0.12CC..Hα-helixtrans-61.6-47.8174.1-62-54.5000111L197 V202 H237 C238 Q239 F243 S244 M245 S846L197-I241 HydrophobicContact CD2-CG2 4.04Å; V202-I241 HydrophobicContact CG1-CB 4.09Å; V202-I241 HydrophobicContact CG1-CG2 4.09Å; V202-I241 HydrophobicContact CG2-CG2 4.29Å; H237-I241 WeakPolarHBondContact O-CG1 3.26Å; H237-I241 PolarHBondContact O-N 3.25Å; H237-I241 VanDerWaalsContact O-N 3.11Å; C238-I241 PolarHBondContact O-N 3.46Å; Q239-I241 VanDerWaalsContact C-N 3.32Å; Q239-I241 PolarHBondContact O-N 3.03Å; I241-F243 VanDerWaalsContact C-N 3.3Å; I241-F243 PolarHBondContact O-N 2.53Å; I241-S244 PolarHBondContact O-N 2.93Å; I241-S244 PolarHBondContact O-OG 3.49Å; I241-M245 HydrophobicContact CG2-CG 3.89Å; I241-M245 HydrophobicContact CG2-SD 3.32Å; I241-M245 WeakPolarHBondContact CG2-SD 3.43Å; I241-M245 VanDerWaalsContact O-CB 3.31Å; I241-M245 WeakPolarHBondContact O-CB 3.22Å; I241-M245 WeakPolarHBondContact O-CG 3.42Å; I241-M245 PolarHBondContact O-N 3.31Å; I241-S846 WeakPolarHBondContact CD1-OG 3.44Å
242L92.3Very high90.5Very high0 Ų023.1 Ų23.10%012%0.119CC..Hα-helixtrans-62.7-41-177.9-68.1171.8000111.5A199 V202 K206 C238 Q239 S244 M245 L246 I262 A269A199-L242 HydrophobicContact CB-CD2 4.38Å; V202-L242 HydrophobicContact CB-CD2 4.29Å; V202-L242 HydrophobicContact CG1-CD2 4.22Å; V202-L242 HydrophobicContact CG1-CG 4.14Å; K206-L242 HydrophobicContact CD-CD1 3.78Å; C238-L242 WeakPolarHBondContact O-CG 3.25Å; C238-L242 PolarHBondContact O-N 2.59Å; Q239-L242 PolarHBondContact O-N 3.39Å; L242-S244 VanDerWaalsContact C-N 3.3Å; L242-S244 PolarHBondContact O-N 3.08Å; L242-M245 PolarHBondContact O-N 3.22Å; L242-L246 HydrophobicContact CB-CD1 4.4Å; L242-L246 WeakPolarHBondContact O-CB 3.17Å; L242-L246 WeakPolarHBondContact O-CG 3.19Å; L242-L246 PolarHBondContact O-N 3.41Å; L242-L246 VanDerWaalsContact O-N 3.08Å; L242-I262 HydrophobicContact CD2-CD1 3.89Å; L242-A269 HydrophobicContact CD1-CB 4.16Å
243F88.9Confident90.4Very high123 Ų12322.7 Ų22.754%0.53912%0.116SC..Hα-helixtrans-63.4-35.1177.4-169.8-96.1000112.6Q239 I241 L275Q239-F243 PolarHBondContact O-N 3.43Å; I241-F243 VanDerWaalsContact C-N 3.3Å; I241-F243 PolarHBondContact O-N 2.53Å; F243-L275 HydrophobicContact CD2-CD2 4.1Å
244S84.2Confident90.5Very high21 Ų2123 Ų2315%0.14712%0.116CC..Hα-helixtrans-83.6-32.2179.673.40000113.6S240 I241 L242 R248 S846S240-S244 PolarHBondContact O-N 3.12Å; S240-S244 VanDerWaalsContact O-N 3.16Å; S240-S244 PolarHBondContact O-OG 3.22Å; I241-S244 PolarHBondContact O-N 2.93Å; I241-S244 PolarHBondContact O-OG 3.49Å; L242-S244 VanDerWaalsContact C-N 3.3Å; L242-S244 PolarHBondContact O-N 3.08Å; S244-R248 PolarHBondContact O-NH2 3.34Å; S244-S846 WeakPolarHBondContact CB-O 3.39Å; S244-S846 PolarHBondContact OG-O 3.29Å
245M87.5Confident90.8Very high4 Ų422.4 Ų22.42%0.0211%0.114CC..Hα-helixtrans-82.5-48.4-175.4-74.2-172.369.200112.5L197 A199 I241 L242 R248 A249L197-M245 HydrophobicContact CD2-SD 3.95Å; L197-M245 HydrophobicContact CG-SD 4.29Å; L197-M245 WeakPolarHBondContact O-CE 3.35Å; A199-M245 HydrophobicContact CB-CE 4.1Å; A199-M245 HydrophobicContact CB-SD 4.47Å; I241-M245 HydrophobicContact CG2-CG 3.89Å; I241-M245 HydrophobicContact CG2-SD 3.32Å; I241-M245 WeakPolarHBondContact CG2-SD 3.43Å; I241-M245 VanDerWaalsContact O-CB 3.31Å; I241-M245 WeakPolarHBondContact O-CB 3.22Å; I241-M245 WeakPolarHBondContact O-CG 3.42Å; I241-M245 PolarHBondContact O-N 3.31Å; L242-M245 PolarHBondContact O-N 3.22Å; M245-R248 CarbonylContact C-O 3.58Å; M245-R248 WeakPolarHBondContact O-CA 3.47Å; M245-R248 VanDerWaalsContact O-CB 3.27Å; M245-R248 WeakPolarHBondContact O-CB 3.28Å; M245-R248 PolarHBondContact O-N 2.95Å; M245-R248 PolarHBondContact O-NE 2.75Å; M245-R248 PolarHBondContact O-NH2 2.69Å; M245-A249 WeakPolarHBondContact CE-O 3.38Å
246L93.7Very high91Very high9 Ų921.7 Ų21.75%0.04711%0.11CC..THydrogen-bonded Turntrans-63.6145.2-172-68.1176.3000111.9A199 L242 R248 L259 I262 I263 V270 L275 T279A199-L246 HydrophobicContact CB-CD2 4.32Å; L242-L246 HydrophobicContact CB-CD1 4.4Å; L242-L246 WeakPolarHBondContact O-CB 3.17Å; L242-L246 WeakPolarHBondContact O-CG 3.19Å; L242-L246 PolarHBondContact O-N 3.41Å; L242-L246 VanDerWaalsContact O-N 3.08Å; L246-R248 VanDerWaalsContact C-N 3.32Å; L246-L259 HydrophobicContact CD2-CD1 3.81Å; L246-L259 HydrophobicContact CD2-CD2 3.96Å; L246-L259 HydrophobicContact CD2-CG 4.39Å; L246-I262 HydrophobicContact CD2-CD1 4.49Å; L246-I263 HydrophobicContact CD1-CG2 4.46Å; L246-V270 HydrophobicContact CD1-CG1 4.42Å; L246-V270 HydrophobicContact CD1-CG2 3.48Å; L246-V270 VanDerWaalsContact CD1-CG2 3.48Å; L246-L275 HydrophobicContact CB-CD1 3.81Å; L246-L275 HydrophobicContact CB-CD2 4.07Å; L246-L275 HydrophobicContact CB-CG 3.99Å; L246-L275 HydrophobicContact CD1-CD2 4.28Å; L246-L275 HydrophobicContact CD1-CG 4.41Å; L246-T279 HydrophobicContact CD2-CG2 4.18Å
247P94.4Very high91.3Very high30 Ų3020.5 Ų20.520%0.19510%0.104CC..THydrogen-bonded Turncis-79.1-0.27.134.3-38.7000114.9I255 L259 V278 T279 E282P247-I255 HydrophobicContact CB-CD1 4.21Å; P247-I255 WeakPolarHBondContact O-CD1 3.25Å; P247-L259 WeakPolarHBondContact O-CD1 3.37Å; P247-V278 HydrophobicContact CG-CG1 4.37Å; P247-T279 HydrophobicContact CB-CG2 4.15Å; P247-E282 HydrophobicContact CB-CB 4.31Å; P247-E282 HydrophobicContact CB-CG 4.26Å; P247-E282 HydrophobicContact CG-CG 4.14Å
248R92.6Very high91.7Very high74 Ų7419.2 Ų19.228%0.27910%0.098SC..  trans-70.8145.4179.7-56.1173-67.3-89.4-9.4111.3S244 M245 L246 E254S244-R248 PolarHBondContact O-NH2 3.34Å; M245-R248 CarbonylContact C-O 3.58Å; M245-R248 WeakPolarHBondContact O-CA 3.47Å; M245-R248 VanDerWaalsContact O-CB 3.27Å; M245-R248 WeakPolarHBondContact O-CB 3.28Å; M245-R248 PolarHBondContact O-N 2.95Å; M245-R248 PolarHBondContact O-NE 2.75Å; M245-R248 PolarHBondContact O-NH2 2.69Å; L246-R248 VanDerWaalsContact C-N 3.32Å; R248-E254 VanDerWaalsContact CA-O 3.3Å; R248-E254 WeakPolarHBondContact CA-O 3.29Å; R248-E254 WeakPolarHBondContact CG-O 3.48Å
249A93.4Very high92Very high3 Ų319.2 Ų19.23%0.02510%0.098CC..  trans-88.1-35.6-179.700000112.9A199 M245 K253 D256 L259A199-A249 WeakPolarHBondContact CB-O 3.38Å; A199-A249 PolarHBondContact N-O 3.34Å; M245-A249 WeakPolarHBondContact CE-O 3.38Å; A249-K253 HydrophobicContact CB-CB 4.09Å; A249-K253 PolarHBondContact N-O 3.41Å; A249-D256 HydrophobicContact CB-CB 3.32Å; A249-L259 HydrophobicContact CB-CD1 4.09Å; A249-L259 HydrophobicContact CB-CD2 4.27Å; A249-L259 HydrophobicContact CB-CG 4.31Å
250S91.9Very high92.3Very high5 Ų518.6 Ų18.64%0.03510%0.096CC..SBendtrans-161.6-176.517972.40000111.5E196 L197 S252 K253E196-S250 WeakPolarHBondContact OE1-CB 3.46Å; E196-S250 PolarHBondContact OE1-OG 2.62Å; E196-S250 PolarHBondContact OE2-OG 3.38Å; L197-S250 WeakPolarHBondContact O-CB 3.36Å; S250-S252 VanDerWaalsContact C-N 3.25Å; S250-S252 PolarHBondContact O-N 3.13Å; S250-S252 PolarHBondContact OG-N 2.68Å; S250-K253 PolarHBondContact N-O 3.35Å; S250-K253 WeakPolarHBondContact OG-CB 3.44Å; S250-K253 WeakPolarHBondContact OG-CG 3.41Å; S250-K253 PolarHBondContact OG-N 3.35Å
251T88.4Confident92.8Very high49 Ų4917.5 Ų17.530%0.3019%0.088SC..SBendtrans-61.9-35174.1-54.90000112.2I1118 K1119T251-I1118 HydrophobicContact CG2-CB 4.08Å; T251-I1118 HydrophobicContact CG2-CG2 4.02Å; T251-I1118 PolarHBondContact O-N 2.94Å; T251-K1119 HydrophobicContact CG2-CB 4.19Å; T251-K1119 PolarHBondContact O-N 3.2Å
252S90.6Very high93.4Very high1 Ų117.2 Ų17.21%0.0079%0.087CC..SBendtrans-100.7-10.3-176.377.70000114.3K189 E196 S250 E1117K189-S252 VanDerWaalsContact CD-O 3.22Å; K189-S252 WeakPolarHBondContact CD-O 3.36Å; K189-S252 WeakPolarHBondContact CE-O 3.34Å; K189-S252 PolarHBondContact N-OG 3Å; E196-S252 PolarHBondContact OE1-OG 3.16Å; E196-S252 VanDerWaalsContact OE2-CB 3.26Å; E196-S252 WeakPolarHBondContact OE2-CB 3.44Å; E196-S252 PolarHBondContact OE2-N 3.03Å; E196-S252 PolarHBondContact OE2-OG 3.12Å; S250-S252 VanDerWaalsContact C-N 3.25Å; S250-S252 PolarHBondContact O-N 3.13Å; S250-S252 PolarHBondContact OG-N 2.68Å; S252-E1117 VanDerWaalsContact O-CD 3.24Å
253K92.3Very high93.6Very high9 Ų917.7 Ų17.74%0.0399%0.089CC..  trans-120.3107.6178.1-56-177.6-164.586.20110.6G187 K189 E196 N198 A249 S250 I255 F296G187-K253 PolarHBondContact O-NZ 3.2Å; K189-K253 HydrophobicContact CB-CG 4.22Å; E196-K253 IonicContact OE1-NZ 3.76Å; E196-K253 PolarHBondContact OE1-NZ 3.25Å; N198-K253 PolarHBondContact OD1-NZ 3.24Å; A249-K253 HydrophobicContact CB-CB 4.09Å; A249-K253 PolarHBondContact N-O 3.41Å; S250-K253 PolarHBondContact N-O 3.35Å; S250-K253 WeakPolarHBondContact OG-CB 3.44Å; S250-K253 WeakPolarHBondContact OG-CG 3.41Å; S250-K253 PolarHBondContact OG-N 3.35Å; K253-I255 PolarHBondContact O-N 3.48Å; K253-F296 HydrophobicContact CD-CB 4.4Å; K253-F296 HydrophobicContact CD-CD1 3.99Å; K253-F296 HydrophobicContact CD-CD2 4.34Å; K253-F296 HydrophobicContact CD-CE1 4.37Å; K253-F296 HydrophobicContact CD-CG 3.99Å; K253-F296 HydrophobicContact CG-CD2 4.5Å; K253-F296 HydrophobicContact CG-CG 4.49Å
254E93Very high94Very high19 Ų1912 Ų129%0.0897%0.065CC..SBendtrans-66.3-21178.764.7168.6-111.100113.9R248 K286 L297 T1114 C1116 E1117R248-E254 VanDerWaalsContact CA-O 3.3Å; R248-E254 WeakPolarHBondContact CA-O 3.29Å; R248-E254 WeakPolarHBondContact CG-O 3.48Å; E254-K286 IonicContact OE1-NZ 3.15Å; E254-K286 PolarHBondContact OE1-NZ 3.15Å; E254-L297 HydrophobicContact CG-CD1 4.03Å; E254-T1114 WeakPolarHBondContact OE2-CB 3.47Å; E254-T1114 PolarHBondContact OE2-OG1 2.76Å; E254-C1116 HydrophobicContact CB-CB 4.37Å; E254-C1116 WeakPolarHBondContact OE2-CB 3.46Å; E254-E1117 HydrophobicContact CB-CG 4.32Å
255I95.7Very high94.6Very high2 Ų211.2 Ų11.21%0.016%0.059CC..  trans-160152.4174.8-167.660.3000109.3P247 K253 L259 E282 I283 K286 L287 F296 L297P247-I255 HydrophobicContact CB-CD1 4.21Å; P247-I255 WeakPolarHBondContact O-CD1 3.25Å; K253-I255 PolarHBondContact O-N 3.48Å; I255-L259 HydrophobicContact CD1-CD1 4.17Å; I255-E282 HydrophobicContact CD1-CB 3.97Å; I255-E282 HydrophobicContact CG1-CB 4.41Å; I255-I283 HydrophobicContact CD1-CG1 3.81Å; I255-I283 HydrophobicContact CG1-CG1 4Å; I255-K286 HydrophobicContact CG2-CB 4.39Å; I255-K286 HydrophobicContact CG2-CD 4.12Å; I255-L287 HydrophobicContact CG1-CD1 4.14Å; I255-L287 HydrophobicContact CG2-CD1 4.03Å; I255-L287 HydrophobicContact CG2-CD2 3.97Å; I255-L287 HydrophobicContact CG2-CG 4.02Å; I255-F296 WeakPolarHBondContact O-CB 3.47Å; I255-L297 HydrophobicContact CG2-CD1 4.44Å; I255-L297 HydrophobicContact CG2-CG 4.38Å
256D97.1Very high95Very high4 Ų411.2 Ų11.22%0.0216%0.059CC..  trans-148.4135.5175.6-169.3-60.3000110W184 A249 G258 L259 R295 F296W184-D256 PolarHBondContact NE1-OD1 3.05Å; W184-D256 VanDerWaalsContact NE1-OD1 3.08Å; W184-D256 PolarHBondContact NE1-OD2 3.18Å; A249-D256 HydrophobicContact CB-CB 3.32Å; D256-G258 PolarHBondContact O-N 3.27Å; D256-G258 WeakPolarHBondContact OD1-CA 3.37Å; D256-G258 PolarHBondContact OD1-N 2.96Å; D256-L259 HydrophobicContact CB-CG 4.42Å; D256-L259 WeakPolarHBondContact O-CB 3.33Å; D256-L259 VanDerWaalsContact O-CG 3.23Å; D256-L259 WeakPolarHBondContact O-CG 3.42Å; D256-L259 PolarHBondContact O-N 3.02Å; D256-R295 CarbonylContact C-O 3.42Å; D256-R295 VanDerWaalsContact CA-O 3.31Å; D256-R295 WeakPolarHBondContact CA-O 3.46Å; D256-F296 HydrophobicContact CB-CB 4.42Å; D256-F296 WeakPolarHBondContact OD2-CD1 3.3Å
257A97.6Very high95.2Very high0 Ų010.8 Ų10.80%06%0.056CC..G310 helixtrans-69.5-21.2-179.300000112.8L259 L260 I283 L287 C293 C294 R295 F331A257-L259 PolarHBondContact O-N 3.38Å; A257-L259 VanDerWaalsContact O-N 3.15Å; A257-L260 WeakPolarHBondContact O-CB 3.42Å; A257-L260 WeakPolarHBondContact O-CG 3.45Å; A257-L260 PolarHBondContact O-N 3.43Å; A257-L260 VanDerWaalsContact O-N 3.08Å; A257-I283 HydrophobicContact CB-CG2 4.18Å; A257-L287 HydrophobicContact CB-CD1 3.94Å; A257-C293 HydrophobicContact CB-CB 4.13Å; A257-C294 VanDerWaalsContact CB-O 3.32Å; A257-C294 WeakPolarHBondContact CB-O 3.37Å; A257-R295 PolarHBondContact N-O 3.45Å; A257-F331 VanDerWaalsContact C-CE1 3.47Å; A257-F331 HydrophobicContact CB-CD1 3.78Å; A257-F331 HydrophobicContact CB-CD2 3.89Å; A257-F331 HydrophobicContact CB-CE1 3.55Å; A257-F331 HydrophobicContact CB-CE2 3.64Å; A257-F331 HydrophobicContact CB-CG 3.94Å; A257-F331 HydrophobicContact CB-CZ 3.47Å; A257-F331 VanDerWaalsContact CB-CZ 3.47Å; A257-F331 WeakPolarHBondContact O-CE1 3.28Å
258G96.4Very high95.3Very high2 Ų210 Ų102%0.0215%0.05CC..G310 helixtrans-58.4-21.3171.300000114M183 D256 L260 S261M183-G258 WeakPolarHBondContact SD-CA 3.44Å; D256-G258 PolarHBondContact O-N 3.27Å; D256-G258 WeakPolarHBondContact OD1-CA 3.37Å; D256-G258 PolarHBondContact OD1-N 2.96Å; G258-L260 PolarHBondContact O-N 3.05Å; G258-S261 WeakPolarHBondContact O-CB 3.37Å; G258-S261 PolarHBondContact O-N 3.01Å; G258-S261 VanDerWaalsContact O-N 3.09Å; G258-S261 PolarHBondContact O-OG 3.08Å
259L98.1Very high95.5Very high0 Ų06.5 Ų6.50%04%0.037CC..G310 helixtrans-63-21174.3-60176.7000113A199 L246 P247 A249 I255 D256 A257 S261 I262 I263 T279 I283A199-L259 HydrophobicContact CB-CD2 3.79Å; L246-L259 HydrophobicContact CD2-CD1 3.81Å; L246-L259 HydrophobicContact CD2-CD2 3.96Å; L246-L259 HydrophobicContact CD2-CG 4.39Å; P247-L259 WeakPolarHBondContact O-CD1 3.37Å; A249-L259 HydrophobicContact CB-CD1 4.09Å; A249-L259 HydrophobicContact CB-CD2 4.27Å; A249-L259 HydrophobicContact CB-CG 4.31Å; I255-L259 HydrophobicContact CD1-CD1 4.17Å; D256-L259 HydrophobicContact CB-CG 4.42Å; D256-L259 WeakPolarHBondContact O-CB 3.33Å; D256-L259 VanDerWaalsContact O-CG 3.23Å; D256-L259 WeakPolarHBondContact O-CG 3.42Å; D256-L259 PolarHBondContact O-N 3.02Å; A257-L259 PolarHBondContact O-N 3.38Å; A257-L259 VanDerWaalsContact O-N 3.15Å; L259-S261 PolarHBondContact O-N 2.81Å; L259-I262 HydrophobicContact CB-CG1 4.48Å; L259-I262 HydrophobicContact CD2-CD1 3.93Å; L259-I262 HydrophobicContact CD2-CG1 4.4Å; L259-I262 WeakPolarHBondContact O-CG1 3.49Å; L259-I262 PolarHBondContact O-N 3.08Å; L259-I263 PolarHBondContact O-N 2.87Å; L259-T279 HydrophobicContact CB-CG2 4.23Å; L259-T279 HydrophobicContact CD1-CG2 4.02Å; L259-I283 HydrophobicContact CB-CD1 3.95Å
260L98Very high95.6Very high3 Ų36.4 Ų6.42%0.0164%0.036CC..Hα-helixtrans-54.9-34.3171.6-71.4174.9000112.1A257 G258 I262 I263 S264 I283 F331 Y334 L335A257-L260 WeakPolarHBondContact O-CB 3.42Å; A257-L260 WeakPolarHBondContact O-CG 3.45Å; A257-L260 PolarHBondContact O-N 3.43Å; A257-L260 VanDerWaalsContact O-N 3.08Å; G258-L260 PolarHBondContact O-N 3.05Å; L260-I262 PolarHBondContact O-N 2.83Å; L260-I263 HydrophobicContact CD2-CD1 4.19Å; L260-S264 WeakPolarHBondContact O-CB 3.24Å; L260-S264 PolarHBondContact O-N 3.08Å; L260-I283 HydrophobicContact CD1-CG2 4.34Å; L260-I283 HydrophobicContact CD2-CD1 4.01Å; L260-I283 HydrophobicContact CG-CD1 3.93Å; L260-I283 HydrophobicContact CG-CG2 4.36Å; L260-F331 HydrophobicContact CD1-CB 4.07Å; L260-F331 HydrophobicContact CD1-CD1 4.03Å; L260-F331 HydrophobicContact CD1-CG 4.44Å; L260-Y334 HydrophobicContact CB-CG 4.35Å; L260-L335 HydrophobicContact CD1-CD2 4.38Å; L260-L335 HydrophobicContact CD1-CG 4.35Å; L260-L335 HydrophobicContact CD2-CD2 3.99Å
261S97Very high95.6Very high4 Ų47.6 Ų7.63%0.0284%0.041CC..Hα-helixtrans-69.5-17.6179.470.70000114.1G258 L259 P266 A267G258-S261 WeakPolarHBondContact O-CB 3.37Å; G258-S261 PolarHBondContact O-N 3.01Å; G258-S261 VanDerWaalsContact O-N 3.09Å; G258-S261 PolarHBondContact O-OG 3.08Å; L259-S261 PolarHBondContact O-N 2.81Å; S261-P266 WeakPolarHBondContact O-CD 3.41Å; S261-A267 WeakPolarHBondContact O-CB 2.98Å; S261-A267 PolarHBondContact O-N 2.92Å
262I97.9Very high95.8Very high0 Ų07.7 Ų7.70%04%0.04CC..Hα-helixtrans-107.3-31-179.767.4162.2000114.1A199 S200 L242 L246 L259 L260 S264 F268 A269A199-I262 WeakPolarHBondContact O-CD1 3.24Å; S200-I262 WeakPolarHBondContact O-CG2 3.34Å; L242-I262 HydrophobicContact CD2-CD1 3.89Å; L246-I262 HydrophobicContact CD2-CD1 4.49Å; L259-I262 HydrophobicContact CB-CG1 4.48Å; L259-I262 HydrophobicContact CD2-CD1 3.93Å; L259-I262 HydrophobicContact CD2-CG1 4.4Å; L259-I262 WeakPolarHBondContact O-CG1 3.49Å; L259-I262 PolarHBondContact O-N 3.08Å; L260-I262 PolarHBondContact O-N 2.83Å; I262-S264 VanDerWaalsContact C-N 3.33Å; I262-F268 CarbonylContact O-C 3.49Å; I262-A269 HydrophobicContact CB-CB 4.33Å; I262-A269 PolarHBondContact O-N 3.43Å
263I97.6Very high95.9Very high9 Ų911 Ų115%0.0466%0.06CC..Hα-helixtrans-81.7-17.7176.370.7178.2000112.1L246 L259 L260 V270 V276 T279 K280L246-I263 HydrophobicContact CD1-CG2 4.46Å; L259-I263 PolarHBondContact O-N 2.87Å; L260-I263 HydrophobicContact CD2-CD1 4.19Å; I263-V270 HydrophobicContact CG2-CG2 3.99Å; I263-V276 HydrophobicContact CB-CG1 4.22Å; I263-V276 HydrophobicContact CB-CG2 4.3Å; I263-T279 HydrophobicContact CD1-CG2 4.17Å; I263-T279 HydrophobicContact CG2-CG2 4.09Å; I263-K280 HydrophobicContact CD1-CB 3.89Å
264S96.2Very high96.1Very high5 Ų515.7 Ų15.74%0.0359%0.085CC..SBendtrans-135.7-156.8179.8-163.20000110.5L260 I262 A267 F268 D338L260-S264 WeakPolarHBondContact O-CB 3.24Å; L260-S264 PolarHBondContact O-N 3.08Å; I262-S264 VanDerWaalsContact C-N 3.33Å; S264-A267 PolarHBondContact O-N 3.37Å; S264-A267 VanDerWaalsContact O-N 3.14Å; S264-F268 PolarHBondContact O-N 3.36Å; S264-D338 WeakPolarHBondContact CB-OD1 3.2Å; S264-D338 WeakPolarHBondContact OG-CB 3.42Å; S264-D338 PolarHBondContact OG-OD1 2.8Å
265F96.5Very high96.2Very high4 Ų415.9 Ų15.92%0.0189%0.087CC..THydrogen-bonded Turntrans-58.7134.7176.1179.8-91.7000110.9L52 F144 F268 Y334 I337 F341 L406 L409 I423L52-F265 HydrophobicContact CD1-CE1 4.2Å; L52-F265 HydrophobicContact CD1-CZ 4.23Å; F144-F265 HydrophobicContact CE1-CZ 4.49Å; F144-F265 HydrophobicContact CZ-CZ 4.07Å; F265-F268 HydrophobicContact CB-CE2 4.13Å; F265-F268 HydrophobicContact CB-CZ 3.79Å; F265-F268 HydrophobicContact CD2-CE2 4.16Å; F265-F268 HydrophobicContact CD2-CZ 4.42Å; F265-Y334 WeakPolarHBondContact O-CD1 3.29Å; F265-Y334 VanDerWaalsContact O-CE1 3.25Å; F265-Y334 WeakPolarHBondContact O-CE1 3.36Å; F265-I337 HydrophobicContact CB-CG2 3.6Å; F265-I337 HydrophobicContact CD1-CD1 4.23Å; F265-I337 HydrophobicContact CD1-CG2 3.99Å; F265-I337 HydrophobicContact CG-CG2 3.81Å; F265-F341 HydrophobicContact CB-CD2 4.42Å; F265-F341 HydrophobicContact CB-CE2 4.08Å; F265-F341 AromaticContact CD2-CE2 3.86Å; F265-F341 HydrophobicContact CD2-CE2 3.86Å; F265-F341 AromaticContact CD2-CZ 3.85Å; F265-F341 HydrophobicContact CD2-CZ 3.85Å; F265-F341 HydrophobicContact CG-CE2 4.18Å; F265-L406 HydrophobicContact CE1-CD2 4.28Å; F265-L409 HydrophobicContact CE1-CD2 4.11Å; F265-L409 HydrophobicContact CZ-CD2 4.06Å; F265-I423 HydrophobicContact CD2-CD1 4.22Å; F265-I423 HydrophobicContact CE2-CD1 3.75Å; F265-I423 HydrophobicContact CE2-CG1 4.24Å; F265-I423 HydrophobicContact CZ-CD1 4.14Å
266P96.5Very high96.2Very high3 Ų316.5 Ų16.52%0.0199%0.09CC..THydrogen-bonded Turncis-93.9-14.48.735.8-37.5000116Y49 L140 L143 F144 M204 S261Y49-P266 HydrophobicContact CE1-CG 4.17Å; L140-P266 HydrophobicContact CD1-CG 4.16Å; L143-P266 HydrophobicContact CD2-CB 4.27Å; L143-P266 HydrophobicContact CD2-CG 4.37Å; F144-P266 HydrophobicContact CE2-CB 3.76Å; F144-P266 HydrophobicContact CE2-CG 3.99Å; F144-P266 HydrophobicContact CZ-CB 3.56Å; F144-P266 HydrophobicContact CZ-CG 4.25Å; M204-P266 HydrophobicContact CE-CG 4.18Å; S261-P266 WeakPolarHBondContact O-CD 3.41Å
267A97.5Very high96.2Very high0 Ų019.5 Ų19.50%011%0.106CC..THydrogen-bonded Turntrans-90.3-34.9-163.400000114.3L143 M204 A207 S261 S264 A269 R428L143-A267 HydrophobicContact CD2-CB 4.28Å; M204-A267 HydrophobicContact CE-CB 4.03Å; M204-A267 HydrophobicContact SD-CB 3.98Å; A207-A267 HydrophobicContact CB-CB 3.49Å; A207-A267 VanDerWaalsContact CB-CB 3.49Å; A207-A267 WeakPolarHBondContact CB-O 3.23Å; S261-A267 WeakPolarHBondContact O-CB 2.98Å; S261-A267 PolarHBondContact O-N 2.92Å; S264-A267 PolarHBondContact O-N 3.37Å; S264-A267 VanDerWaalsContact O-N 3.14Å; A267-A269 HydrophobicContact CB-CB 4.46Å; A267-A269 PolarHBondContact O-N 2.98Å; A267-A269 VanDerWaalsContact O-N 3.15Å; A267-R428 VanDerWaalsContact O-CZ 3.23Å; A267-R428 PolarHBondContact O-NE 3.16Å; A267-R428 PolarHBondContact O-NH2 3.3Å
268F97.4Very high96.2Very high14 Ų1422.9 Ų22.96%0.06113%0.127CC..  trans47.441.2-176.4-55.2-79.6000113.1I262 S264 F265 V270 F341 R428 R429 S431I262-F268 CarbonylContact O-C 3.49Å; S264-F268 PolarHBondContact O-N 3.36Å; F265-F268 HydrophobicContact CB-CE2 4.13Å; F265-F268 HydrophobicContact CB-CZ 3.79Å; F265-F268 HydrophobicContact CD2-CE2 4.16Å; F265-F268 HydrophobicContact CD2-CZ 4.42Å; F268-V270 PolarHBondContact O-N 2.67Å; F268-F341 HydrophobicContact CE1-CD1 4.15Å; F268-F341 HydrophobicContact CE1-CG 4.32Å; F268-F341 HydrophobicContact CE2-CD1 4.47Å; F268-F341 HydrophobicContact CE2-CE1 4.08Å; F268-F341 HydrophobicContact CE2-CZ 4.34Å; F268-F341 AromaticContact CZ-CD1 3.57Å; F268-F341 HydrophobicContact CZ-CD1 3.57Å; F268-F341 HydrophobicContact CZ-CD2 4.21Å; F268-F341 AromaticContact CZ-CE1 3.58Å; F268-F341 HydrophobicContact CZ-CE1 3.58Å; F268-F341 HydrophobicContact CZ-CE2 4.23Å; F268-F341 AromaticContact CZ-CG 3.9Å; F268-F341 HydrophobicContact CZ-CG 3.9Å; F268-F341 AromaticContact CZ-CZ 3.94Å; F268-F341 HydrophobicContact CZ-CZ 3.94Å; F268-R428 HydrophobicContact CB-CB 4.22Å; F268-R428 WeakPolarHBondContact CB-O 3.33Å; F268-R428 HydrophobicContact CD2-CB 3.96Å; F268-R429 HydrophobicContact CD1-CB 4.24Å; F268-R429 HydrophobicContact CD2-CB 4.38Å; F268-R429 HydrophobicContact CE1-CB 3.97Å; F268-R429 HydrophobicContact CE2-CB 4.12Å; F268-R429 HydrophobicContact CG-CB 4.43Å; F268-R429 HydrophobicContact CZ-CB 3.91Å; F268-S431 VanDerWaalsContact O-CB 3.31Å; F268-S431 WeakPolarHBondContact O-CB 3.38Å; F268-S431 PolarHBondContact O-OG 3.04Å
269A96.8Very high96.3Very high0 Ų022.8 Ų22.80%013%0.126CC..  trans-75.3-24-167.900000113.4G203 K206 A207 Q239 L242 I262 A267G203-A269 WeakPolarHBondContact O-CB 3.47Å; K206-A269 HydrophobicContact CD-CB 4.48Å; K206-A269 WeakPolarHBondContact CE-O 3.22Å; K206-A269 PolarHBondContact NZ-O 2.98Å; A207-A269 HydrophobicContact CB-CB 4.44Å; Q239-A269 PolarHBondContact OE1-O 2.62Å; L242-A269 HydrophobicContact CD1-CB 4.16Å; I262-A269 HydrophobicContact CB-CB 4.33Å; I262-A269 PolarHBondContact O-N 3.43Å; A267-A269 HydrophobicContact CB-CB 4.46Å; A267-A269 PolarHBondContact O-N 2.98Å; A267-A269 VanDerWaalsContact O-N 3.15Å
270V95.5Very high96.3Very high2 Ų223.8 Ų23.81%0.01213%0.13CC..  trans-94.2124.4-174.5-1760000110.6L246 I263 F268 L275 V276 T432L246-V270 HydrophobicContact CD1-CG1 4.42Å; L246-V270 HydrophobicContact CD1-CG2 3.48Å; L246-V270 VanDerWaalsContact CD1-CG2 3.48Å; I263-V270 HydrophobicContact CG2-CG2 3.99Å; F268-V270 PolarHBondContact O-N 2.67Å; V270-L275 HydrophobicContact CG1-CB 4.24Å; V270-L275 HydrophobicContact CG1-CD2 4.02Å; V270-L275 HydrophobicContact CG1-CG 4.25Å; V270-V276 HydrophobicContact CB-CG2 3.78Å; V270-V276 HydrophobicContact CG1-CG2 3.77Å; V270-T432 WeakPolarHBondContact O-CG2 3.25Å
271E91Very high96.3Very high30 Ų3028.2 Ų28.214%0.1415%0.154CC..  trans-87.2-24.3-176.8-51.1-167.7154.500114K206 V273 T432 K435 R555K206-E271 IonicContact NZ-OE1 2.7Å; E271-V273 PolarHBondContact O-N 3.3Å; E271-T432 WeakPolarHBondContact O-CA 3.27Å; E271-K435 IonicContact OE1-NZ 2.83Å; E271-K435 PolarHBondContact OE1-NZ 2.68Å; E271-K435 IonicContact OE2-NZ 3.87Å; E271-K435 PolarHBondContact OE2-NZ 2.7Å; E271-R555 IonicContact OE1-NE 3.72Å; E271-R555 IonicContact OE2-CZ 3Å; E271-R555 IonicContact OE2-NE 2.69Å; E271-R555 PolarHBondContact OE2-NE 2.64Å; E271-R555 IonicContact OE2-NH2 3.01Å; E271-R555 PolarHBondContact OE2-NH2 3.39Å
272D92.2Very high96.4Very high51 Ų5131 Ų3127%0.27317%0.167SC..  trans-86.9110.7179.8-175.9-10.4000110.8N274 L275 V276D272-N274 PolarHBondContact O-N 3.34Å; D272-N274 WeakPolarHBondContact OD1-CB 3.5Å; D272-N274 PolarHBondContact OD1-N 3.2Å; D272-L275 HydrophobicContact CB-CB 3.92Å; D272-L275 WeakPolarHBondContact O-CB 3.45Å; D272-L275 PolarHBondContact O-N 3.18Å; D272-L275 VanDerWaalsContact O-N 3.12Å; D272-V276 WeakPolarHBondContact O-CG2 3.44Å; D272-V276 PolarHBondContact O-N 2.79Å
273V93.3Very high96.4Very high70 Ų7031 Ų3142%0.42417%0.167SC..Hα-helixtrans-59.5-32.8178.769.70000113E271 V276 N277E271-V273 PolarHBondContact O-N 3.3Å; V273-V276 PolarHBondContact O-N 2.9Å; V273-N277 WeakPolarHBondContact O-CB 3.33Å; V273-N277 VanDerWaalsContact O-CG 3.23Å; V273-N277 PolarHBondContact O-N 3.3Å; V273-N277 PolarHBondContact O-ND2 3.25Å
274N95.8Very high96.4Very high108 Ų10832.7 Ų32.758%0.57818%0.175SC*.Hα-helixtrans-68.4-41.9177.5-63-51.3000110.2D272 N277 V278D272-N274 PolarHBondContact O-N 3.34Å; D272-N274 WeakPolarHBondContact OD1-CB 3.5Å; D272-N274 PolarHBondContact OD1-N 3.2Å; N274-N277 PolarHBondContact O-N 3.3Å; N274-V278 WeakPolarHBondContact O-CB 3.33Å; N274-V278 VanDerWaalsContact O-CG2 3.28Å; N274-V278 WeakPolarHBondContact O-CG2 3.38Å; N274-V278 PolarHBondContact O-N 2.94Å
275L95.8Very high96.4Very high22 Ų2236.5 Ų36.512%0.11520%0.202CC..Hα-helixtrans-65.9-39.9177-172.158.6000111.6F243 L246 V270 D272 T279F243-L275 HydrophobicContact CD2-CD2 4.1Å; L246-L275 HydrophobicContact CB-CD1 3.81Å; L246-L275 HydrophobicContact CB-CD2 4.07Å; L246-L275 HydrophobicContact CB-CG 3.99Å; L246-L275 HydrophobicContact CD1-CD2 4.28Å; L246-L275 HydrophobicContact CD1-CG 4.41Å; V270-L275 HydrophobicContact CG1-CB 4.24Å; V270-L275 HydrophobicContact CG1-CD2 4.02Å; V270-L275 HydrophobicContact CG1-CG 4.25Å; D272-L275 HydrophobicContact CB-CB 3.92Å; D272-L275 WeakPolarHBondContact O-CB 3.45Å; D272-L275 PolarHBondContact O-N 3.18Å; D272-L275 VanDerWaalsContact O-N 3.12Å; L275-T279 VanDerWaalsContact O-CB 3.28Å; L275-T279 WeakPolarHBondContact O-CB 3.44Å; L275-T279 PolarHBondContact O-N 2.83Å; L275-T279 PolarHBondContact O-OG1 3.16Å
276V97.1Very high96.4Very high15 Ų1540 Ų409%0.09122%0.217CC..Hα-helixtrans-56.3-51.1171.5168.80000110.5I263 V270 D272 V273 T279 K280 T432I263-V276 HydrophobicContact CB-CG1 4.22Å; I263-V276 HydrophobicContact CB-CG2 4.3Å; V270-V276 HydrophobicContact CB-CG2 3.78Å; V270-V276 HydrophobicContact CG1-CG2 3.77Å; D272-V276 WeakPolarHBondContact O-CG2 3.44Å; D272-V276 PolarHBondContact O-N 2.79Å; V273-V276 PolarHBondContact O-N 2.9Å; V276-T279 PolarHBondContact O-N 3.5Å; V276-K280 WeakPolarHBondContact O-CB 3.36Å; V276-K280 PolarHBondContact O-N 3.11Å; V276-T432 HydrophobicContact CG2-CG2 4.41Å
277N96.9Very high96.4Very high67 Ų6740 Ų4036%0.35822%0.217SC..Hα-helixtrans-66-44.3-178.2-71.6-27.1000112.6V273 N274 T279 K280 N281V273-N277 WeakPolarHBondContact O-CB 3.33Å; V273-N277 VanDerWaalsContact O-CG 3.23Å; V273-N277 PolarHBondContact O-N 3.3Å; V273-N277 PolarHBondContact O-ND2 3.25Å; N274-N277 PolarHBondContact O-N 3.3Å; N277-T279 VanDerWaalsContact C-N 3.33Å; N277-T279 PolarHBondContact O-N 3.34Å; N277-K280 PolarHBondContact O-N 2.98Å; N277-N281 WeakPolarHBondContact O-CB 3.39Å; N277-N281 PolarHBondContact O-N 3.04Å; N277-N281 PolarHBondContact O-ND2 3.23Å
278V97.7Very high96.4Very high72 Ų7242.9 Ų42.944%0.43623%0.231SC..Hα-helixtrans-60.3-45176168.60000110.5P247 N274 N281 E282P247-V278 HydrophobicContact CG-CG1 4.37Å; N274-V278 WeakPolarHBondContact O-CB 3.33Å; N274-V278 VanDerWaalsContact O-CG2 3.28Å; N274-V278 WeakPolarHBondContact O-CG2 3.38Å; N274-V278 PolarHBondContact O-N 2.94Å; V278-N281 PolarHBondContact O-N 3.07Å; V278-E282 WeakPolarHBondContact O-CG 3.22Å; V278-E282 PolarHBondContact O-N 2.9Å
279T98.1Very high96.3Very high0 Ų042.9 Ų42.90%024%0.235CC..Hα-helixtrans-63.4-47.4178.2-540000111.4L246 P247 L259 I263 L275 V276 N277 N281 E282 I283L246-T279 HydrophobicContact CD2-CG2 4.18Å; P247-T279 HydrophobicContact CB-CG2 4.15Å; L259-T279 HydrophobicContact CB-CG2 4.23Å; L259-T279 HydrophobicContact CD1-CG2 4.02Å; I263-T279 HydrophobicContact CD1-CG2 4.17Å; I263-T279 HydrophobicContact CG2-CG2 4.09Å; L275-T279 VanDerWaalsContact O-CB 3.28Å; L275-T279 WeakPolarHBondContact O-CB 3.44Å; L275-T279 PolarHBondContact O-N 2.83Å; L275-T279 PolarHBondContact O-OG1 3.16Å; V276-T279 PolarHBondContact O-N 3.5Å; N277-T279 VanDerWaalsContact C-N 3.33Å; N277-T279 PolarHBondContact O-N 3.34Å; T279-N281 VanDerWaalsContact C-N 3.34Å; T279-N281 PolarHBondContact O-N 2.6Å; T279-E282 PolarHBondContact O-N 2.87Å; T279-I283 HydrophobicContact CG2-CD1 4.17Å; T279-I283 VanDerWaalsContact O-CG1 3.31Å; T279-I283 WeakPolarHBondContact O-CG1 3.47Å; T279-I283 PolarHBondContact O-N 2.69Å
280K98Very high96.2Very high20 Ų2047.8 Ų47.89%0.08725%0.253CS..Hα-helixtrans-58.2-45.3176.3-176.9167.365.6166.60111.7I263 V276 N277 I283 I284 L335 D338I263-K280 HydrophobicContact CD1-CB 3.89Å; V276-K280 WeakPolarHBondContact O-CB 3.36Å; V276-K280 PolarHBondContact O-N 3.11Å; N277-K280 PolarHBondContact O-N 2.98Å; K280-I283 PolarHBondContact O-N 3.4Å; K280-I284 HydrophobicContact CD-CD1 4.46Å; K280-I284 HydrophobicContact CG-CD1 3.83Å; K280-I284 WeakPolarHBondContact O-CG1 3.4Å; K280-I284 PolarHBondContact O-N 3.2Å; K280-L335 HydrophobicContact CD-CD2 4.28Å; K280-D338 IonicContact NZ-OD2 3.89Å; K280-D338 PolarHBondContact NZ-OD2 2.65Å
281N97.9Very high96.3Very high96 Ų9649.2 Ų49.251%0.51326%0.258SS..Hα-helixtrans-66.6-38-179.9-69.6-18.5000112.6N277 V278 T279 I284 S285N277-N281 WeakPolarHBondContact O-CB 3.39Å; N277-N281 PolarHBondContact O-N 3.04Å; N277-N281 PolarHBondContact O-ND2 3.23Å; V278-N281 PolarHBondContact O-N 3.07Å; T279-N281 VanDerWaalsContact C-N 3.34Å; T279-N281 PolarHBondContact O-N 2.6Å; N281-I284 PolarHBondContact O-N 2.86Å; N281-S285 VanDerWaalsContact O-CB 3.23Å; N281-S285 WeakPolarHBondContact O-CB 3.43Å; N281-S285 PolarHBondContact O-N 3.21Å; N281-S285 PolarHBondContact O-OG 2.89Å
282E97.7Very high96.6Very high62 Ų6247.8 Ų47.829%0.2925%0.252SS..Hα-helixtrans-65.2-40.6174-76.3-72.1135.800111.6P247 I255 V278 T279 S285 K286P247-E282 HydrophobicContact CB-CB 4.31Å; P247-E282 HydrophobicContact CB-CG 4.26Å; P247-E282 HydrophobicContact CG-CG 4.14Å; I255-E282 HydrophobicContact CD1-CB 3.97Å; I255-E282 HydrophobicContact CG1-CB 4.41Å; V278-E282 WeakPolarHBondContact O-CG 3.22Å; V278-E282 PolarHBondContact O-N 2.9Å; T279-E282 PolarHBondContact O-N 2.87Å; E282-S285 WeakPolarHBondContact CA-OG 3.43Å; E282-S285 PolarHBondContact O-OG 2.61Å; E282-K286 WeakPolarHBondContact O-CB 3.28Å; E282-K286 PolarHBondContact O-N 2.75Å; E282-K286 WeakPolarHBondContact OE2-CE 3.45Å; E282-K286 IonicContact OE2-NZ 3.61Å; E282-K286 PolarHBondContact OE2-NZ 2.93Å
283I98.2Very high96.8Very high1 Ų145.3 Ų45.31%0.00524%0.239CC..Hα-helixtrans-61.1-51.4174.4-66167.8000110.2I255 A257 L259 L260 T279 K280 L287 Q288I255-I283 HydrophobicContact CD1-CG1 3.81Å; I255-I283 HydrophobicContact CG1-CG1 4Å; A257-I283 HydrophobicContact CB-CG2 4.18Å; L259-I283 HydrophobicContact CB-CD1 3.95Å; L260-I283 HydrophobicContact CD1-CG2 4.34Å; L260-I283 HydrophobicContact CD2-CD1 4.01Å; L260-I283 HydrophobicContact CG-CD1 3.93Å; L260-I283 HydrophobicContact CG-CG2 4.36Å; T279-I283 HydrophobicContact CG2-CD1 4.17Å; T279-I283 VanDerWaalsContact O-CG1 3.31Å; T279-I283 WeakPolarHBondContact O-CG1 3.47Å; T279-I283 PolarHBondContact O-N 2.69Å; K280-I283 PolarHBondContact O-N 3.4Å; I283-L287 HydrophobicContact CG2-CD1 4.4Å; I283-L287 WeakPolarHBondContact O-CA 3.36Å; I283-L287 VanDerWaalsContact O-CB 3.27Å; I283-L287 WeakPolarHBondContact O-CB 3.29Å; I283-L287 PolarHBondContact O-N 2.97Å; I283-Q288 PolarHBondContact O-N 2.78Å
284I97.6Very high97Very high44 Ų4442.5 Ų42.523%0.22622%0.222CC..Hα-helixtrans-62.9-47.4-178.4-68.2169.4000110.6K280 N281 K286 Q288 L335K280-I284 HydrophobicContact CD-CD1 4.46Å; K280-I284 HydrophobicContact CG-CD1 3.83Å; K280-I284 WeakPolarHBondContact O-CG1 3.4Å; K280-I284 PolarHBondContact O-N 3.2Å; N281-I284 PolarHBondContact O-N 2.86Å; I284-K286 PolarHBondContact O-N 2.99Å; I284-Q288 HydrophobicContact CG2-CB 4.47Å; I284-Q288 WeakPolarHBondContact O-CB 3.41Å; I284-Q288 PolarHBondContact O-N 3Å; I284-L335 HydrophobicContact CD1-CD2 4.36Å
285S96.9Very high97.1Very high86 Ų8637.8 Ų37.860%0.60120%0.196SC*.Hα-helixtrans-68.3-33.2-175.758.60000114.1N281 E282N281-S285 VanDerWaalsContact O-CB 3.23Å; N281-S285 WeakPolarHBondContact O-CB 3.43Å; N281-S285 PolarHBondContact O-N 3.21Å; N281-S285 PolarHBondContact O-OG 2.89Å; E282-S285 WeakPolarHBondContact CA-OG 3.43Å; E282-S285 PolarHBondContact O-OG 2.61Å
286K95.9Very high97.1Very high76 Ų7636.9 Ų36.933%0.3319%0.191SC..Hα-helixtrans-101.7-30.4-175.3-67.2-179171.4176.20114.7E254 I255 E282 I284E254-K286 IonicContact OE1-NZ 3.15Å; E254-K286 PolarHBondContact OE1-NZ 3.15Å; I255-K286 HydrophobicContact CG2-CB 4.39Å; I255-K286 HydrophobicContact CG2-CD 4.12Å; E282-K286 WeakPolarHBondContact O-CB 3.28Å; E282-K286 PolarHBondContact O-N 2.75Å; E282-K286 WeakPolarHBondContact OE2-CE 3.45Å; E282-K286 IonicContact OE2-NZ 3.61Å; E282-K286 PolarHBondContact OE2-NZ 2.93Å; I284-K286 PolarHBondContact O-N 2.99Å
287L97.3Very high97Very high3 Ų338.3 Ų38.32%0.01620%0.198CC..Hα-helixtrans-113.3-17.8-169.6-56.2-179.8000113.6I255 A257 I283 C293 C294 L297I255-L287 HydrophobicContact CG1-CD1 4.14Å; I255-L287 HydrophobicContact CG2-CD1 4.03Å; I255-L287 HydrophobicContact CG2-CD2 3.97Å; I255-L287 HydrophobicContact CG2-CG 4.02Å; A257-L287 HydrophobicContact CB-CD1 3.94Å; I283-L287 HydrophobicContact CG2-CD1 4.4Å; I283-L287 WeakPolarHBondContact O-CA 3.36Å; I283-L287 VanDerWaalsContact O-CB 3.27Å; I283-L287 WeakPolarHBondContact O-CB 3.29Å; I283-L287 PolarHBondContact O-N 2.97Å; L287-C293 HydrophobicContact CB-CB 4.31Å; L287-C293 CarbonylContact O-C 3.46Å; L287-C293 WeakPolarHBondContact O-CA 3.41Å; L287-C294 HydrophobicContact CD2-CB 4.49Å; L287-C294 PolarHBondContact O-N 2.7Å; L287-L297 HydrophobicContact CD2-CD2 3.81Å; L287-L297 HydrophobicContact CD2-CG 4Å
288Q96.4Very high96.8Very high62 Ų6235.2 Ų35.229%0.2918%0.182SC..BIsolated β-bridgetrans-71134.1179-170.5173.1-76.500111.5I283 I284 Y351I283-Q288 PolarHBondContact O-N 2.78Å; I284-Q288 HydrophobicContact CG2-CB 4.47Å; I284-Q288 WeakPolarHBondContact O-CB 3.41Å; I284-Q288 PolarHBondContact O-N 3Å; Q288-Y351 PolarHBondContact OE1-OH 2.89Å
289G95.2Very high96.6Very high14 Ų1431.9 Ų31.914%0.14416%0.161CC..  trans-123.9-159.7170.800000112.2G292G289-G292 PolarHBondContact N-O 3.26Å
290R95.6Very high96.4Very high103 Ų10331.9 Ų31.939%0.38916%0.161SC..SBendtrans-83.5-9.2-175.8-62.8-167.3-65.5134-1.6114.2E327 W332 H388 T389 V390 D391R290-E327 PolarHBondContact N-OE2 3.49Å; R290-W332 VanDerWaalsContact O-CH2 3.27Å; R290-W332 WeakPolarHBondContact O-CH2 3.46Å; R290-H388 PolarHBondContact NE-O 3.15Å; R290-T389 PolarHBondContact NH2-O 3.21Å; R290-V390 PolarHBondContact NH2-O 3.22Å; R290-D391 IonicContact CZ-OD1 2.61Å; R290-D391 VanDerWaalsContact CZ-OD1 3.31Å; R290-D391 IonicContact NH1-OD1 3.48Å; R290-D391 PolarHBondContact NH1-OD1 2.95Å; R290-D391 IonicContact NH2-OD1 3.33Å; R290-D391 PolarHBondContact NH2-OD1 2.59Å
291Y97.5Very high96.1Very high31 Ų3133.7 Ų33.712%0.12217%0.168CC..SBendtrans-1326-173.9-59.6-96.5000113.1E327 I358 Y373 D391 R392Y291-E327 WeakPolarHBondContact CA-OE2 3.47Å; Y291-E327 WeakPolarHBondContact CB-OE2 3.37Å; Y291-E327 PolarHBondContact N-OE2 3.27Å; Y291-I358 HydrophobicContact CD1-CB 4.42Å; Y291-I358 HydrophobicContact CD1-CG2 3.7Å; Y291-I358 HydrophobicContact CE1-CG2 4.23Å; Y291-I358 VanDerWaalsContact O-CD1 3.29Å; Y291-I358 WeakPolarHBondContact O-CD1 3.47Å; Y291-Y373 AromaticContact CD1-CD1 3.48Å; Y291-Y373 HydrophobicContact CD1-CD1 3.48Å; Y291-Y373 VanDerWaalsContact CD1-CD1 3.48Å; Y291-Y373 HydrophobicContact CD1-CD2 4.17Å; Y291-Y373 AromaticContact CD1-CE1 3.75Å; Y291-Y373 HydrophobicContact CD1-CE1 3.75Å; Y291-Y373 HydrophobicContact CD1-CE2 4.4Å; Y291-Y373 AromaticContact CD1-CG 3.72Å; Y291-Y373 HydrophobicContact CD1-CG 3.72Å; Y291-Y373 AromaticContact CE1-CD1 3.96Å; Y291-Y373 HydrophobicContact CE1-CD1 3.96Å; Y291-Y373 HydrophobicContact CE1-CE1 4.14Å; Y291-Y373 HydrophobicContact CG-CD1 4.08Å; Y291-Y373 HydrophobicContact CG-CD2 4.33Å; Y291-Y373 AromaticContact CG-CG 3.89Å; Y291-Y373 HydrophobicContact CG-CG 3.89Å; Y291-D391 PolarHBondContact OH-OD1 3.4Å; Y291-R392 HydrophobicContact CD2-CB 3.99Å; Y291-R392 HydrophobicContact CD2-CG 4.09Å; Y291-R392 HydrophobicContact CE2-CB 3.84Å; Y291-R392 HydrophobicContact CE2-CG 4.03Å; Y291-R392 HydrophobicContact CG-CB 4.46Å; Y291-R392 PolarHBondContact OH-N 2.93Å
292G97.1Very high95.9Very high0 Ų032.1 Ų32.10%016%0.156CC..SBendtrans148.2-151.2-176.900000112G289 W328 W332G289-G292 PolarHBondContact N-O 3.26Å; G292-W328 WeakPolarHBondContact CA-O 3.31Å; G292-W332 VanDerWaalsContact N-CZ2 3.29Å
293C97.8Very high95.8Very high0 Ų029.4 Ų29.40%014%0.144CC..EExtended strand (participates in β ladder)trans-116.5146168.7-55.80000110.9A257 L287 W328 F331A257-C293 HydrophobicContact CB-CB 4.13Å; L287-C293 HydrophobicContact CB-CB 4.31Å; L287-C293 CarbonylContact O-C 3.46Å; L287-C293 WeakPolarHBondContact O-CA 3.41Å; C293-W328 PolarHBondContact N-O 2.99Å; C293-W328 WeakPolarHBondContact O-CB 3.27Å; C293-W328 PolarHBondContact O-N 3.43Å; C293-F331 HydrophobicContact CB-CB 3.85Å; C293-F331 HydrophobicContact CB-CD2 3.63Å; C293-F331 HydrophobicContact CB-CE2 4.46Å; C293-F331 HydrophobicContact CB-CG 3.98Å; C293-F331 WeakPolarHBondContact O-CD2 3.33Å
294C97.3Very high95.6Very high11 Ų1131.3 Ų31.37%0.07416%0.156CC..EExtended strand (participates in β ladder)trans-65.8152.3163.7-58.40000109.7A257 L287 E325 C326A257-C294 VanDerWaalsContact CB-O 3.32Å; A257-C294 WeakPolarHBondContact CB-O 3.37Å; L287-C294 HydrophobicContact CD2-CB 4.49Å; L287-C294 PolarHBondContact O-N 2.7Å; C294-E325 HydrophobicContact CB-CB 4.05Å; C294-C326 WeakPolarHBondContact CA-O 3.38Å
295R96.7Very high95.3Very high8 Ų834.5 Ų34.53%0.0317%0.166CC..SBendtrans-65.9-50.7179-62.4-172.9-61.2171.313.8111.1W184 D256 A257 D299 W328 F331W184-R295 HydrophobicContact CD2-CG 4.46Å; W184-R295 HydrophobicContact CH2-CG 4.1Å; W184-R295 HydrophobicContact CZ2-CB 4.13Å; W184-R295 HydrophobicContact CZ2-CG 3.96Å; W184-R295 HydrophobicContact CZ3-CG 4.41Å; D256-R295 CarbonylContact C-O 3.42Å; D256-R295 VanDerWaalsContact CA-O 3.31Å; D256-R295 WeakPolarHBondContact CA-O 3.46Å; A257-R295 PolarHBondContact N-O 3.45Å; R295-D299 IonicContact CZ-OD1 3.85Å; R295-D299 IonicContact CZ-OD2 2.65Å; R295-D299 IonicContact NE-OD2 2.75Å; R295-D299 PolarHBondContact NE-OD2 2.91Å; R295-D299 IonicContact NH2-OD1 2.92Å; R295-D299 PolarHBondContact NH2-OD1 3.4Å; R295-D299 IonicContact NH2-OD2 3.78Å; R295-D299 PolarHBondContact NH2-OD2 2.71Å; R295-W328 HydrophobicContact CG-CD2 4.29Å; R295-W328 HydrophobicContact CG-CG 4.28Å; R295-W328 HydrophobicContact CG-CZ2 4.47Å; R295-F331 HydrophobicContact CG-CE2 4.36Å; R295-F331 HydrophobicContact CG-CZ 4.5Å
296F95.8Very high95.1Very high3 Ų332 Ų321%0.01315%0.145CC..SBendtrans-158.1167.8172.351-91.6000108.9W184 K189 K253 I255 D256 D299W184-F296 AromaticContact CD1-CD1 3.92Å; W184-F296 AromaticContact CD1-CE1 3.72Å; W184-F296 HydrophobicContact CG-CE1 4.31Å; K189-F296 HydrophobicContact CB-CE2 4.18Å; K253-F296 HydrophobicContact CD-CB 4.4Å; K253-F296 HydrophobicContact CD-CD1 3.99Å; K253-F296 HydrophobicContact CD-CD2 4.34Å; K253-F296 HydrophobicContact CD-CE1 4.37Å; K253-F296 HydrophobicContact CD-CG 3.99Å; K253-F296 HydrophobicContact CG-CD2 4.5Å; K253-F296 HydrophobicContact CG-CG 4.49Å; I255-F296 WeakPolarHBondContact O-CB 3.47Å; D256-F296 HydrophobicContact CB-CB 4.42Å; D256-F296 WeakPolarHBondContact OD2-CD1 3.3Å; F296-D299 HydrophobicContact CD2-CB 3.88Å; F296-D299 HydrophobicContact CE1-CB 4.35Å; F296-D299 HydrophobicContact CE2-CB 3.65Å; F296-D299 HydrophobicContact CG-CB 4.32Å; F296-D299 HydrophobicContact CZ-CB 3.9Å; F296-D299 WeakPolarHBondContact O-CB 3.45Å
297L94.6Very high94.7Very high45 Ų4531.7 Ų31.724%0.23615%0.146CC..THydrogen-bonded Turntrans-65.5141.7-179.5-62.1175.6000111.6E254 I255 L287 D299E254-L297 HydrophobicContact CG-CD1 4.03Å; I255-L297 HydrophobicContact CG2-CD1 4.44Å; I255-L297 HydrophobicContact CG2-CG 4.38Å; L287-L297 HydrophobicContact CD2-CD2 3.81Å; L287-L297 HydrophobicContact CD2-CG 4Å; L297-D299 PolarHBondContact O-N 3.21Å
298R93.4Very high94.1Very high3 Ų336.5 Ų36.51%0.01118%0.178CC..THydrogen-bonded Turntrans59.130.8-177.9-60.7-175-179.1173.48.6114.1G300 L318 E322 E325 T1110 Q1111 M1113R298-G300 PolarHBondContact O-N 3.04Å; R298-L318 HydrophobicContact CB-CB 4.45Å; R298-L318 WeakPolarHBondContact CB-O 3.45Å; R298-L318 WeakPolarHBondContact CD-O 3.29Å; R298-L318 WeakPolarHBondContact CG-O 3.35Å; R298-L318 WeakPolarHBondContact O-CD2 3.44Å; R298-E322 HydrophobicContact CG-CB 4.09Å; R298-E322 HydrophobicContact CG-CG 4.35Å; R298-E322 IonicContact CZ-OE1 2.74Å; R298-E322 IonicContact NE-OE1 3.76Å; R298-E322 PolarHBondContact NE-OE1 2.84Å; R298-E322 VanDerWaalsContact NE-OE1 3.1Å; R298-E322 IonicContact NH2-OE1 3.61Å; R298-E322 PolarHBondContact NH2-OE1 2.95Å; R298-E325 WeakPolarHBondContact CA-OE1 3.39Å; R298-E325 PolarHBondContact N-OE1 2.88Å; R298-T1110 PolarHBondContact NH1-O 3Å; R298-Q1111 PolarHBondContact NH1-O 3Å; R298-M1113 PolarHBondContact NH1-O 3.28Å
299D93.8Very high93.6Very high1 Ų141.8 Ų41.81%0.00520%0.202CC..  trans-78.6114.7173.3-179.624.9000111.6R186 R295 F296 L297 Y301 T303 E325R186-D299 IonicContact NH1-OD1 2.95Å; R186-D299 PolarHBondContact NH1-OD1 2.98Å; R295-D299 IonicContact CZ-OD1 3.85Å; R295-D299 IonicContact CZ-OD2 2.65Å; R295-D299 IonicContact NE-OD2 2.75Å; R295-D299 PolarHBondContact NE-OD2 2.91Å; R295-D299 IonicContact NH2-OD1 2.92Å; R295-D299 PolarHBondContact NH2-OD1 3.4Å; R295-D299 IonicContact NH2-OD2 3.78Å; R295-D299 PolarHBondContact NH2-OD2 2.71Å; F296-D299 HydrophobicContact CD2-CB 3.88Å; F296-D299 HydrophobicContact CE1-CB 4.35Å; F296-D299 HydrophobicContact CE2-CB 3.65Å; F296-D299 HydrophobicContact CG-CB 4.32Å; F296-D299 HydrophobicContact CZ-CB 3.9Å; F296-D299 WeakPolarHBondContact O-CB 3.45Å; L297-D299 PolarHBondContact O-N 3.21Å; D299-Y301 VanDerWaalsContact C-N 3.34Å; D299-Y301 PolarHBondContact O-N 3.41Å; D299-Y301 PolarHBondContact OD1-N 3.08Å; D299-T303 WeakPolarHBondContact O-CG2 3.42Å; D299-E325 HydrophobicContact CB-CG 4.44Å
300G92.8Very high93.1Very high0 Ų044.6 Ų44.60%021%0.209CC..  trans-78.6-9.1-178.100000115.6R298 K302 T303 E306 Y313R298-G300 PolarHBondContact O-N 3.04Å; G300-K302 PolarHBondContact O-N 3.24Å; G300-K302 VanDerWaalsContact O-N 3.16Å; G300-T303 WeakPolarHBondContact O-CB 3.37Å; G300-T303 WeakPolarHBondContact O-CG2 3.23Å; G300-T303 PolarHBondContact O-N 2.96Å; G300-T303 PolarHBondContact O-OG1 3.14Å; G300-E306 VanDerWaalsContact O-CB 3.27Å; G300-E306 WeakPolarHBondContact O-CB 3.42Å; G300-E306 VanDerWaalsContact O-CD 3.26Å; G300-Y313 VanDerWaalsContact CA-OH 3.29Å; G300-Y313 WeakPolarHBondContact CA-OH 3.45Å
301Y93.6Very high92.1Very high58 Ų5844.7 Ų44.723%0.22722%0.216CC..THydrogen-bonded Turntrans-60.2121.6-168.7-177.5-104.7000113.6D299 T303 E306 Y313 C326 W328 L372D299-Y301 VanDerWaalsContact C-N 3.34Å; D299-Y301 PolarHBondContact O-N 3.41Å; D299-Y301 PolarHBondContact OD1-N 3.08Å; Y301-T303 PolarHBondContact O-N 3.37Å; Y301-T303 VanDerWaalsContact O-N 3.11Å; Y301-E306 WeakPolarHBondContact CA-OE1 3.4Å; Y301-Y313 PolarHBondContact N-OH 2.97Å; Y301-Y313 VanDerWaalsContact N-OH 3.09Å; Y301-C326 PolarHBondContact O-SG 3.07Å; Y301-W328 AromaticContact CD1-CZ2 3.8Å; Y301-W328 HydrophobicContact CD1-CZ2 3.8Å; Y301-W328 HydrophobicContact CE1-CH2 4.18Å; Y301-W328 AromaticContact CE1-CZ2 3.72Å; Y301-W328 HydrophobicContact CE1-CZ2 3.72Å; Y301-L372 HydrophobicContact CD1-CD2 3.91Å; Y301-L372 HydrophobicContact CE1-CD2 3.9Å
302K93.5Very high91.5Very high63 Ų6346.4 Ų46.427%0.27423%0.225SC..THydrogen-bonded Turntrans54.817.8-175.9-66-178.9173.2167.30114.3G300 E306 E371 L372 G396G300-K302 PolarHBondContact O-N 3.24Å; G300-K302 VanDerWaalsContact O-N 3.16Å; K302-E306 WeakPolarHBondContact CA-OE2 3.43Å; K302-E306 PolarHBondContact N-OE2 3.18Å; K302-E371 IonicContact NZ-OE1 3.79Å; K302-E371 IonicContact NZ-OE2 3.31Å; K302-E371 PolarHBondContact NZ-OE2 3.14Å; K302-L372 HydrophobicContact CB-CD1 4.44Å; K302-L372 HydrophobicContact CB-CD2 4.22Å; K302-L372 HydrophobicContact CD-CD2 3.97Å; K302-G396 VanDerWaalsContact NZ-CA 3.33Å
303T94.6Very high90.9Very high6 Ų646.7 Ų46.74%0.03723%0.226CC..  trans-70.1153171.266.70000109.5D299 G300 Y301 R305 E306 F321D299-T303 WeakPolarHBondContact O-CG2 3.42Å; G300-T303 WeakPolarHBondContact O-CB 3.37Å; G300-T303 WeakPolarHBondContact O-CG2 3.23Å; G300-T303 PolarHBondContact O-N 2.96Å; G300-T303 PolarHBondContact O-OG1 3.14Å; Y301-T303 PolarHBondContact O-N 3.37Å; Y301-T303 VanDerWaalsContact O-N 3.11Å; T303-R305 PolarHBondContact O-N 3.01Å; T303-E306 WeakPolarHBondContact O-CB 3.33Å; T303-E306 PolarHBondContact O-N 2.98Å; T303-F321 WeakPolarHBondContact OG1-CD1 3.24Å
304P93.3Very high90.1Very high40 Ų4050.8 Ų50.826%0.2625%0.248SC..THydrogen-bonded Turntrans-62.8-14.8-179.8-26.736.6000115.5I375 P377 V380P304-I375 HydrophobicContact CG-CB 4.33Å; P304-I375 WeakPolarHBondContact CG-O 3.42Å; P304-P377 HydrophobicContact CB-CB 4.28Å; P304-P377 HydrophobicContact CB-CG 4.34Å; P304-V380 HydrophobicContact CB-CG2 3.6Å; P304-V380 HydrophobicContact CG-CG2 3.81Å
305R92.4Very high88.8Confident112 Ų11253.3 Ų53.342%0.42327%0.265SS..THydrogen-bonded Turntrans-97.1-6.8179.3-63.7-66-173.1162.3-1.4112.7T303 F321 I324 V380 D381T303-R305 PolarHBondContact O-N 3.01Å; R305-F321 HydrophobicContact CB-CD1 4.27Å; R305-F321 HydrophobicContact CB-CE1 4.12Å; R305-I324 HydrophobicContact CB-CD1 4.07Å; R305-I324 HydrophobicContact CG-CD1 3.62Å; R305-V380 HydrophobicContact CG-CG1 4.21Å; R305-D381 IonicContact NH2-OD1 2.94Å; R305-D381 PolarHBondContact NH2-OD1 2.65Å
306E91.8Very high87.7Confident34 Ų3455.4 Ų55.416%0.15928%0.284CS..SBendtrans-73.3138175.6-173.9178.9-127.800110.7R186 G300 Y301 K302 T303 P308 Y313 F321R186-E306 IonicContact NH2-OE1 3.87Å; R186-E306 PolarHBondContact NH2-OE1 3.35Å; G300-E306 VanDerWaalsContact O-CB 3.27Å; G300-E306 WeakPolarHBondContact O-CB 3.42Å; G300-E306 VanDerWaalsContact O-CD 3.26Å; Y301-E306 WeakPolarHBondContact CA-OE1 3.4Å; K302-E306 WeakPolarHBondContact CA-OE2 3.43Å; K302-E306 PolarHBondContact N-OE2 3.18Å; T303-E306 WeakPolarHBondContact O-CB 3.33Å; T303-E306 PolarHBondContact O-N 2.98Å; E306-P308 VanDerWaalsContact O-CD 3.27Å; E306-P308 WeakPolarHBondContact O-CD 3.38Å; E306-Y313 HydrophobicContact CG-CE1 3.99Å; E306-Y313 VanDerWaalsContact OE1-CE1 3.24Å; E306-Y313 WeakPolarHBondContact OE1-CE1 3.21Å; E306-Y313 PolarHBondContact OE1-OH 3.08Å; E306-F321 HydrophobicContact CB-CE1 4.41Å
307D88.2Confident87.2Confident68 Ų6856.8 Ų56.836%0.36429%0.29SS..  trans-82110.3166.5-178.10.8000110H309 R310D307-H309 PolarHBondContact O-N 3.47Å; D307-H309 WeakPolarHBondContact OD1-CB 3.35Å; D307-H309 IonicContact OD1-CG 3.45Å; D307-H309 PolarHBondContact OD1-N 3.43Å; D307-H309 IonicContact OD1-ND1 2.96Å; D307-H309 PolarHBondContact OD1-ND1 3.34Å; D307-H309 VanDerWaalsContact OD1-ND1 3.09Å; D307-R310 PolarHBondContact O-N 2.87Å
308P85.1Confident86.9Confident104 Ų10454.7 Ų54.768%0.67528%0.279SS*.THydrogen-bonded Turntrans-71.9-10-17731.5-36.7000113.5E306E306-P308 VanDerWaalsContact O-CD 3.27Å; E306-P308 WeakPolarHBondContact O-CD 3.38Å
309H86Confident86.8Confident173 Ų17357.7 Ų57.780%0.80129%0.292SS*.THydrogen-bonded Turntrans-87.6-8.2-179-5689.2000113.1D307D307-H309 PolarHBondContact O-N 3.47Å; D307-H309 WeakPolarHBondContact OD1-CB 3.35Å; D307-H309 IonicContact OD1-CG 3.45Å; D307-H309 PolarHBondContact OD1-N 3.43Å; D307-H309 IonicContact OD1-ND1 2.96Å; D307-H309 PolarHBondContact OD1-ND1 3.34Å; D307-H309 VanDerWaalsContact OD1-ND1 3.09Å
310R83.5Confident86.6Confident74 Ų7461.6 Ų61.628%0.27931%0.313SS..  trans-119.7136.2-176.5-167.6169.853.7115.2-1.5111.1D307 H312 D314 E317D307-R310 PolarHBondContact O-N 2.87Å; R310-H312 WeakPolarHBondContact CD-O 3.39Å; R310-H312 WeakPolarHBondContact CG-O 3.41Å; R310-H312 PolarHBondContact NE-O 3.47Å; R310-H312 VanDerWaalsContact NE-O 3.14Å; R310-H312 PolarHBondContact NH1-O 3.37Å; R310-D314 IonicContact CZ-OD1 2.67Å; R310-D314 IonicContact CZ-OD2 3.85Å; R310-D314 VanDerWaalsContact NH1-CG 3.33Å; R310-D314 IonicContact NH1-OD1 2.69Å; R310-D314 PolarHBondContact NH1-OD1 3.46Å; R310-D314 IonicContact NH1-OD2 3.74Å; R310-D314 VanDerWaalsContact NH2-N 3.1Å; R310-D314 IonicContact NH2-OD1 3.08Å; R310-D314 IonicContact NH2-OD2 3.09Å; R310-E317 IonicContact CZ-OE2 2.76Å; R310-E317 IonicContact NH2-OE1 3.67Å; R310-E317 PolarHBondContact NH2-OE1 3.34Å; R310-E317 IonicContact NH2-OE2 3.04Å; R310-E317 PolarHBondContact NH2-OE2 3.04Å
311L76.4Confident86.7Confident105 Ų10561.6 Ų61.655%0.5531%0.313SS..SBendtrans-75.5-35.7179.7-175.763000112.7N191N191-L311 PolarHBondContact ND2-O 3.44Å
312H83.7Confident86.6Confident66 Ų6661.3 Ų61.331%0.30631%0.313SS..SBendtrans-107.9155.3-173.5-56.1-49.2000111.5N191 R310N191-H312 WeakPolarHBondContact O-CA 3.17Å; N191-H312 VanDerWaalsContact O-CB 3.22Å; N191-H312 WeakPolarHBondContact O-CB 3.36Å; N191-H312 VanDerWaalsContact O-CG 3.24Å; N191-H312 PolarHBondContact O-ND1 2.91Å; R310-H312 WeakPolarHBondContact CD-O 3.39Å; R310-H312 WeakPolarHBondContact CG-O 3.41Å; R310-H312 PolarHBondContact NE-O 3.47Å; R310-H312 VanDerWaalsContact NE-O 3.14Å; R310-H312 PolarHBondContact NH1-O 3.37Å
313Y84.2Confident86.6Confident6 Ų660.9 Ų60.92%0.02431%0.314CS..  trans-94.5150.3-179.8-59.7-34000113.2R186 N191 Q192 G300 Y301 E306 E317 L318 F321R186-Y313 PolarHBondContact NH1-OH 3.04Å; R186-Y313 PolarHBondContact NH2-OH 3.33Å; N191-Y313 HydrophobicContact CB-CD2 3.89Å; N191-Y313 HydrophobicContact CB-CE2 4.07Å; N191-Y313 HydrophobicContact CB-CG 4.43Å; Q192-Y313 PolarHBondContact NE2-O 3.22Å; G300-Y313 VanDerWaalsContact CA-OH 3.29Å; G300-Y313 WeakPolarHBondContact CA-OH 3.45Å; Y301-Y313 PolarHBondContact N-OH 2.97Å; Y301-Y313 VanDerWaalsContact N-OH 3.09Å; E306-Y313 HydrophobicContact CG-CE1 3.99Å; E306-Y313 VanDerWaalsContact OE1-CE1 3.24Å; E306-Y313 WeakPolarHBondContact OE1-CE1 3.21Å; E306-Y313 PolarHBondContact OE1-OH 3.08Å; Y313-E317 WeakPolarHBondContact CA-OE2 3.36Å; Y313-L318 HydrophobicContact CD2-CD2 4.11Å; Y313-F321 HydrophobicContact CD1-CE2 4.29Å; Y313-F321 HydrophobicContact CD1-CZ 4.4Å; Y313-F321 HydrophobicContact CD2-CE2 4.09Å; Y313-F321 HydrophobicContact CE1-CE2 4.3Å; Y313-F321 HydrophobicContact CE1-CZ 4.37Å; Y313-F321 HydrophobicContact CE2-CE2 4.07Å; Y313-F321 HydrophobicContact CG-CE2 4.17Å
314D81.8Confident86.7Confident86 Ų8660.6 Ų60.646%0.4631%0.312SS..  trans-76.9141.4168.4-75.7-18.7000108.2R310 A316 E317R310-D314 IonicContact CZ-OD1 2.67Å; R310-D314 IonicContact CZ-OD2 3.85Å; R310-D314 VanDerWaalsContact NH1-CG 3.33Å; R310-D314 IonicContact NH1-OD1 2.69Å; R310-D314 PolarHBondContact NH1-OD1 3.46Å; R310-D314 IonicContact NH1-OD2 3.74Å; R310-D314 VanDerWaalsContact NH2-N 3.1Å; R310-D314 IonicContact NH2-OD1 3.08Å; R310-D314 IonicContact NH2-OD2 3.09Å; D314-A316 PolarHBondContact O-N 3.19Å; D314-E317 HydrophobicContact CB-CG 3.91Å; D314-E317 PolarHBondContact N-OE2 2.99Å; D314-E317 WeakPolarHBondContact O-CB 3.33Å; D314-E317 PolarHBondContact O-N 2.94Å
315P69Low86.8Confident65 Ų6559.3 Ų59.342%0.42230%0.303SS..G310 helixtrans-52.8-38.3-172.9-28.534.2000114E317 E1112P315-E317 VanDerWaalsContact C-N 3.31Å; P315-E317 PolarHBondContact O-N 3.01Å; P315-E1112 HydrophobicContact CB-CG 3.74Å; P315-E1112 WeakPolarHBondContact CB-OE1 3.4Å; P315-E1112 VanDerWaalsContact O-CG 3.22Å; P315-E1112 WeakPolarHBondContact O-CG 3.03Å
316A74.6Confident87.1Confident52 Ų5254 Ų5443%0.4328%0.283SS..G310 helixtrans-73.8-15.8179.400000114.5D314 L318D314-A316 PolarHBondContact O-N 3.19Å; A316-L318 VanDerWaalsContact C-N 3.35Å; A316-L318 PolarHBondContact O-N 2.97Å
317E84.6Confident87.4Confident31 Ų3152.5 Ų52.515%0.14528%0.276CS..G310 helixtrans-71.1-27.1-176.3-74175.1160.500113.2R310 Y313 D314 P315 K319 L320 F321R310-E317 IonicContact CZ-OE2 2.76Å; R310-E317 IonicContact NH2-OE1 3.67Å; R310-E317 PolarHBondContact NH2-OE1 3.34Å; R310-E317 IonicContact NH2-OE2 3.04Å; R310-E317 PolarHBondContact NH2-OE2 3.04Å; Y313-E317 WeakPolarHBondContact CA-OE2 3.36Å; D314-E317 HydrophobicContact CB-CG 3.91Å; D314-E317 PolarHBondContact N-OE2 2.99Å; D314-E317 WeakPolarHBondContact O-CB 3.33Å; D314-E317 PolarHBondContact O-N 2.94Å; P315-E317 VanDerWaalsContact C-N 3.31Å; P315-E317 PolarHBondContact O-N 3.01Å; E317-K319 PolarHBondContact O-N 3.45Å; E317-K319 VanDerWaalsContact O-N 3.11Å; E317-L320 HydrophobicContact CG-CD1 4.35Å; E317-L320 WeakPolarHBondContact O-CA 3.46Å; E317-L320 WeakPolarHBondContact O-CB 3.47Å; E317-L320 PolarHBondContact O-N 3.4Å; E317-F321 HydrophobicContact CB-CE2 3.99Å; E317-F321 HydrophobicContact CB-CZ 3.83Å; E317-F321 WeakPolarHBondContact O-CD2 3.19Å; E317-F321 PolarHBondContact O-N 3.48Å
318L89Confident87.9Confident1 Ų149.7 Ų49.71%0.00526%0.26CS..G310 helixtrans-55.3-36.5-178.4-72.9171.6000112.3K189 T190 R298 Y313 A316 L320 F321 E1112K189-L318 HydrophobicContact CD-CD1 4.22Å; K189-L318 HydrophobicContact CG-CD1 4.39Å; T190-L318 HydrophobicContact CG2-CD1 3.96Å; R298-L318 HydrophobicContact CB-CB 4.45Å; R298-L318 WeakPolarHBondContact CB-O 3.45Å; R298-L318 WeakPolarHBondContact CD-O 3.29Å; R298-L318 WeakPolarHBondContact CG-O 3.35Å; R298-L318 WeakPolarHBondContact O-CD2 3.44Å; Y313-L318 HydrophobicContact CD2-CD2 4.11Å; A316-L318 VanDerWaalsContact C-N 3.35Å; A316-L318 PolarHBondContact O-N 2.97Å; L318-L320 VanDerWaalsContact C-N 3.27Å; L318-L320 PolarHBondContact O-N 2.9Å; L318-F321 HydrophobicContact CD2-CD2 4.32Å; L318-F321 PolarHBondContact O-N 2.8Å; L318-E1112 WeakPolarHBondContact CD1-O 3.38Å
319K90Very high88.5Confident66 Ų6644.7 Ų44.729%0.28723%0.228SC..G310 helixtrans-67.7-28.1176.5-170.359.5176.4179.30112.8E317 F321 E322 Q1111E317-K319 PolarHBondContact O-N 3.45Å; E317-K319 VanDerWaalsContact O-N 3.11Å; K319-F321 PolarHBondContact O-N 2.74Å; K319-E322 VanDerWaalsContact CE-OE2 3.27Å; K319-E322 WeakPolarHBondContact CE-OE2 3.35Å; K319-E322 IonicContact NZ-OE1 3.47Å; K319-E322 PolarHBondContact NZ-OE1 3.14Å; K319-E322 IonicContact NZ-OE2 3.49Å; K319-E322 PolarHBondContact NZ-OE2 3.31Å; K319-E322 WeakPolarHBondContact O-CB 3.27Å; K319-E322 PolarHBondContact O-N 3.15Å; K319-Q1111 HydrophobicContact CB-CB 3.9Å; K319-Q1111 HydrophobicContact CB-CG 4.46Å; K319-Q1111 HydrophobicContact CG-CB 4.43Å; K319-Q1111 PolarHBondContact N-O 3.46Å
320L91.3Very high89Confident84 Ų8436.5 Ų36.544%0.4419%0.19SC..G310 helixtrans-74.8-5.8175.4-52176.6000112.8E317 L318 I324 Y384E317-L320 HydrophobicContact CG-CD1 4.35Å; E317-L320 WeakPolarHBondContact O-CA 3.46Å; E317-L320 WeakPolarHBondContact O-CB 3.47Å; E317-L320 PolarHBondContact O-N 3.4Å; L318-L320 VanDerWaalsContact C-N 3.27Å; L318-L320 PolarHBondContact O-N 2.9Å; L320-I324 VanDerWaalsContact O-CD1 3.28Å; L320-I324 WeakPolarHBondContact O-CD1 3.48Å; L320-Y384 PolarHBondContact O-OH 3.01Å
321F93.3Very high89.7Confident0 Ų033 Ų330%018%0.177CC..G310 helixtrans-99.9-12.1175.5-51.9-41000112.2T303 R305 E306 Y313 E317 L318 K319 N323 I324 E325T303-F321 WeakPolarHBondContact OG1-CD1 3.24Å; R305-F321 HydrophobicContact CB-CD1 4.27Å; R305-F321 HydrophobicContact CB-CE1 4.12Å; E306-F321 HydrophobicContact CB-CE1 4.41Å; Y313-F321 HydrophobicContact CD1-CE2 4.29Å; Y313-F321 HydrophobicContact CD1-CZ 4.4Å; Y313-F321 HydrophobicContact CD2-CE2 4.09Å; Y313-F321 HydrophobicContact CE1-CE2 4.3Å; Y313-F321 HydrophobicContact CE1-CZ 4.37Å; Y313-F321 HydrophobicContact CE2-CE2 4.07Å; Y313-F321 HydrophobicContact CG-CE2 4.17Å; E317-F321 HydrophobicContact CB-CE2 3.99Å; E317-F321 HydrophobicContact CB-CZ 3.83Å; E317-F321 WeakPolarHBondContact O-CD2 3.19Å; E317-F321 PolarHBondContact O-N 3.48Å; L318-F321 HydrophobicContact CD2-CD2 4.32Å; L318-F321 PolarHBondContact O-N 2.8Å; K319-F321 PolarHBondContact O-N 2.74Å; F321-N323 PolarHBondContact O-N 2.85Å; F321-I324 WeakPolarHBondContact O-CG1 3.23Å; F321-I324 PolarHBondContact O-N 2.72Å; F321-I324 VanDerWaalsContact O-N 3.14Å; F321-E325 WeakPolarHBondContact O-CG 3.47Å; F321-E325 PolarHBondContact O-N 2.81Å
322E92.6Very high90.8Very high51 Ų5128.6 Ų28.624%0.23815%0.153CC..THydrogen-bonded Turntrans-61.2126.9-177.4-165.4-179.9-108.200111.3R298 K319 I324 Y384R298-E322 HydrophobicContact CG-CB 4.09Å; R298-E322 HydrophobicContact CG-CG 4.35Å; R298-E322 IonicContact CZ-OE1 2.74Å; R298-E322 IonicContact NE-OE1 3.76Å; R298-E322 PolarHBondContact NE-OE1 2.84Å; R298-E322 VanDerWaalsContact NE-OE1 3.1Å; R298-E322 IonicContact NH2-OE1 3.61Å; R298-E322 PolarHBondContact NH2-OE1 2.95Å; K319-E322 VanDerWaalsContact CE-OE2 3.27Å; K319-E322 WeakPolarHBondContact CE-OE2 3.35Å; K319-E322 IonicContact NZ-OE1 3.47Å; K319-E322 PolarHBondContact NZ-OE1 3.14Å; K319-E322 IonicContact NZ-OE2 3.49Å; K319-E322 PolarHBondContact NZ-OE2 3.31Å; K319-E322 WeakPolarHBondContact O-CB 3.27Å; K319-E322 PolarHBondContact O-N 3.15Å; E322-I324 PolarHBondContact O-N 3.47Å; E322-Y384 WeakPolarHBondContact O-CE1 3.43Å
323N93.9Very high91.4Very high54 Ų5425.5 Ų25.529%0.28914%0.138SC..THydrogen-bonded Turntrans71.10.9-177.4-46.8-57.2000115.9F321 E325 P387F321-N323 PolarHBondContact O-N 2.85Å; N323-E325 VanDerWaalsContact C-OE2 3.3Å; N323-E325 WeakPolarHBondContact CA-OE2 3.44Å; N323-E325 PolarHBondContact N-OE2 2.77Å; N323-P387 HydrophobicContact CB-CB 4.14Å; N323-P387 HydrophobicContact CB-CG 4.22Å
324I96.1Very high92.1Very high0 Ų025.5 Ų25.50%014%0.138CC..THydrogen-bonded Turntrans-118.17.2176.367.4162.3000112.6R305 L320 F321 E322 I375 V380 E383 Y384R305-I324 HydrophobicContact CB-CD1 4.07Å; R305-I324 HydrophobicContact CG-CD1 3.62Å; L320-I324 VanDerWaalsContact O-CD1 3.28Å; L320-I324 WeakPolarHBondContact O-CD1 3.48Å; F321-I324 WeakPolarHBondContact O-CG1 3.23Å; F321-I324 PolarHBondContact O-N 2.72Å; F321-I324 VanDerWaalsContact O-N 3.14Å; E322-I324 PolarHBondContact O-N 3.47Å; I324-I375 HydrophobicContact CB-CG1 4.45Å; I324-V380 HydrophobicContact CD1-CG1 4.24Å; I324-V380 HydrophobicContact CG2-CG1 4.34Å; I324-E383 HydrophobicContact CG2-CB 4.38Å; I324-E383 HydrophobicContact CG2-CG 4.05Å; I324-Y384 HydrophobicContact CG2-CD1 4.1Å; I324-Y384 HydrophobicContact CG2-CE1 3.78Å
325E96.3Very high92.9Very high13 Ų1321.5 Ų21.56%0.06112%0.117CC..PPolyproline II helixtrans-55144-179.2-57.992.1154.300110.7C294 R298 D299 F321 N323 R392C294-E325 HydrophobicContact CB-CB 4.05Å; R298-E325 WeakPolarHBondContact CA-OE1 3.39Å; R298-E325 PolarHBondContact N-OE1 2.88Å; D299-E325 HydrophobicContact CB-CG 4.44Å; F321-E325 WeakPolarHBondContact O-CG 3.47Å; F321-E325 PolarHBondContact O-N 2.81Å; N323-E325 VanDerWaalsContact C-OE2 3.3Å; N323-E325 WeakPolarHBondContact CA-OE2 3.44Å; N323-E325 PolarHBondContact N-OE2 2.77Å; E325-R392 PolarHBondContact O-NH1 3.41Å; E325-R392 PolarHBondContact O-NH2 3.26Å
326C97.6Very high94.3Very high0 Ų018.5 Ų18.50%010%0.097CC..PPolyproline II helixtrans-71.4140.9-179.6-67.60000112.1C294 Y301 L372 Y373C294-C326 WeakPolarHBondContact CA-O 3.38Å; Y301-C326 PolarHBondContact O-SG 3.07Å; C326-L372 HydrophobicContact CB-CB 4.28Å; C326-L372 HydrophobicContact CB-CD1 3.92Å; C326-L372 HydrophobicContact CB-CD2 3.94Å; C326-L372 HydrophobicContact CB-CG 4.28Å; C326-Y373 WeakPolarHBondContact CA-O 3.43Å
327E97.9Very high95.4Very high3 Ų316 Ų161%0.0148%0.077CC..EExtended strand (participates in β ladder)trans-98.8132.3-179.7-66.8175.3-15600110.5R290 Y291 L372 Y373 R392R290-E327 PolarHBondContact N-OE2 3.49Å; Y291-E327 WeakPolarHBondContact CA-OE2 3.47Å; Y291-E327 WeakPolarHBondContact CB-OE2 3.37Å; Y291-E327 PolarHBondContact N-OE2 3.27Å; E327-L372 CarbonylContact O-C 3.55Å; E327-L372 VanDerWaalsContact O-CA 3.3Å; E327-L372 WeakPolarHBondContact O-CA 3.43Å; E327-Y373 PolarHBondContact N-O 3.14Å; E327-Y373 PolarHBondContact O-N 3.36Å; E327-R392 IonicContact OE1-CZ 2.64Å; E327-R392 VanDerWaalsContact OE1-CZ 3.24Å; E327-R392 IonicContact OE1-NE 3.1Å; E327-R392 PolarHBondContact OE1-NE 3.46Å; E327-R392 IonicContact OE1-NH2 3.36Å; E327-R392 PolarHBondContact OE1-NH2 3.29Å; E327-R392 IonicContact OE2-NE 2.6Å
328W98.3Very high96Very high9 Ų914.9 Ų14.93%0.0347%0.072CC..EExtended strand (participates in β ladder)trans-111.7115.7-172.8-72.362.8000111.4G292 C293 R295 Y301 V330 F331 E371 L372G292-W328 WeakPolarHBondContact CA-O 3.31Å; C293-W328 PolarHBondContact N-O 2.99Å; C293-W328 WeakPolarHBondContact O-CB 3.27Å; C293-W328 PolarHBondContact O-N 3.43Å; R295-W328 HydrophobicContact CG-CD2 4.29Å; R295-W328 HydrophobicContact CG-CG 4.28Å; R295-W328 HydrophobicContact CG-CZ2 4.47Å; Y301-W328 AromaticContact CD1-CZ2 3.8Å; Y301-W328 HydrophobicContact CD1-CZ2 3.8Å; Y301-W328 HydrophobicContact CE1-CH2 4.18Å; Y301-W328 AromaticContact CE1-CZ2 3.72Å; Y301-W328 HydrophobicContact CE1-CZ2 3.72Å; W328-V330 HydrophobicContact CB-CG1 4.23Å; W328-V330 HydrophobicContact CE3-CG1 4.3Å; W328-V330 PolarHBondContact O-N 3.05Å; W328-F331 HydrophobicContact CB-CD2 3.7Å; W328-F331 HydrophobicContact CB-CE2 3.63Å; W328-F331 HydrophobicContact CG-CE2 4.2Å; W328-F331 WeakPolarHBondContact O-CD2 3.24Å; W328-F331 PolarHBondContact O-N 3.17Å; W328-E371 HydrophobicContact CE3-CG 4.28Å; W328-E371 VanDerWaalsContact CE3-O 3.3Å; W328-E371 HydrophobicContact CH2-CG 3.66Å; W328-E371 HydrophobicContact CZ2-CG 4.36Å; W328-E371 HydrophobicContact CZ3-CG 3.62Å; W328-L372 HydrophobicContact CD2-CB 4.13Å; W328-L372 HydrophobicContact CG-CB 4.11Å; W328-L372 HydrophobicContact CZ2-CD2 3.65Å
329P98.1Very high96.4Very high0 Ų014.9 Ų14.90%07%0.072CC..THydrogen-bonded Turntrans-63-23.6-179.1-26.235000114.7F331 W332 L355 I358 V369 P370 Y373P329-F331 PolarHBondContact O-N 3.19Å; P329-F331 VanDerWaalsContact O-N 3.15Å; P329-W332 PolarHBondContact O-N 2.92Å; P329-L355 HydrophobicContact CB-CD1 4.03Å; P329-I358 HydrophobicContact CB-CD1 3.84Å; P329-I358 HydrophobicContact CG-CD1 3.78Å; P329-V369 HydrophobicContact CB-CG1 4.21Å; P329-P370 HydrophobicContact CG-CG 4.24Å; P329-Y373 HydrophobicContact CG-CD2 3.76Å; P329-Y373 HydrophobicContact CG-CE2 3.6Å
330V97.5Very high96.7Very high1 Ų113.3 Ų13.31%0.0067%0.066CC..Hα-helixtrans-56.8-31.7-178.967.40000112.1W328 W332 T333 Y334 W402 L406W328-V330 HydrophobicContact CB-CG1 4.23Å; W328-V330 HydrophobicContact CE3-CG1 4.3Å; W328-V330 PolarHBondContact O-N 3.05Å; V330-W332 VanDerWaalsContact C-N 3.31Å; V330-W332 PolarHBondContact O-N 3.04Å; V330-T333 WeakPolarHBondContact O-CB 3.35Å; V330-T333 PolarHBondContact O-N 3.3Å; V330-T333 PolarHBondContact O-OG1 2.91Å; V330-Y334 HydrophobicContact CG2-CD2 4.33Å; V330-Y334 HydrophobicContact CG2-CE2 4.06Å; V330-Y334 WeakPolarHBondContact O-CD2 3.33Å; V330-Y334 PolarHBondContact O-N 3.38Å; V330-W402 HydrophobicContact CG2-CG 4.41Å; V330-L406 HydrophobicContact CG2-CD1 4.06Å
331F98.1Very high97Very high1 Ų110.8 Ų10.80%0.0045%0.052CC..Hα-helixtrans-68.5-28.7179.7-61.3-60.6000113.2W184 A257 L260 C293 R295 W328 P329 T333 Y334 L335W184-F331 HydrophobicContact CH2-CE1 4.43Å; W184-F331 AromaticContact CH2-CZ 3.77Å; W184-F331 HydrophobicContact CH2-CZ 3.77Å; W184-F331 HydrophobicContact CZ2-CE1 4.43Å; W184-F331 AromaticContact CZ2-CZ 3.79Å; W184-F331 HydrophobicContact CZ2-CZ 3.79Å; A257-F331 VanDerWaalsContact C-CE1 3.47Å; A257-F331 HydrophobicContact CB-CD1 3.78Å; A257-F331 HydrophobicContact CB-CD2 3.89Å; A257-F331 HydrophobicContact CB-CE1 3.55Å; A257-F331 HydrophobicContact CB-CE2 3.64Å; A257-F331 HydrophobicContact CB-CG 3.94Å; A257-F331 HydrophobicContact CB-CZ 3.47Å; A257-F331 VanDerWaalsContact CB-CZ 3.47Å; A257-F331 WeakPolarHBondContact O-CE1 3.28Å; L260-F331 HydrophobicContact CD1-CB 4.07Å; L260-F331 HydrophobicContact CD1-CD1 4.03Å; L260-F331 HydrophobicContact CD1-CG 4.44Å; C293-F331 HydrophobicContact CB-CB 3.85Å; C293-F331 HydrophobicContact CB-CD2 3.63Å; C293-F331 HydrophobicContact CB-CE2 4.46Å; C293-F331 HydrophobicContact CB-CG 3.98Å; C293-F331 WeakPolarHBondContact O-CD2 3.33Å; R295-F331 HydrophobicContact CG-CE2 4.36Å; R295-F331 HydrophobicContact CG-CZ 4.5Å; W328-F331 HydrophobicContact CB-CD2 3.7Å; W328-F331 HydrophobicContact CB-CE2 3.63Å; W328-F331 HydrophobicContact CG-CE2 4.2Å; W328-F331 WeakPolarHBondContact O-CD2 3.24Å; W328-F331 PolarHBondContact O-N 3.17Å; P329-F331 PolarHBondContact O-N 3.19Å; P329-F331 VanDerWaalsContact O-N 3.15Å; F331-T333 VanDerWaalsContact C-N 3.32Å; F331-Y334 HydrophobicContact CD1-CD2 4.29Å; F331-Y334 WeakPolarHBondContact O-CB 3.34Å; F331-Y334 PolarHBondContact O-N 2.93Å; F331-L335 WeakPolarHBondContact O-CG 3.33Å; F331-L335 PolarHBondContact O-N 3.01Å
332W98.1Very high97Very high12 Ų1215.8 Ų15.85%0.0458%0.078CC..Hα-helixtrans-68.3-32.5169.6-69.2-12.5000112.1R290 G292 P329 V330 Y334 L335 I336 Y351 A354 L355 I358R290-W332 VanDerWaalsContact O-CH2 3.27Å; R290-W332 WeakPolarHBondContact O-CH2 3.46Å; G292-W332 VanDerWaalsContact N-CZ2 3.29Å; P329-W332 PolarHBondContact O-N 2.92Å; V330-W332 VanDerWaalsContact C-N 3.31Å; V330-W332 PolarHBondContact O-N 3.04Å; W332-Y334 VanDerWaalsContact C-N 3.31Å; W332-Y334 PolarHBondContact O-N 2.99Å; W332-L335 PolarHBondContact O-N 3.3Å; W332-I336 VanDerWaalsContact O-CG1 3.28Å; W332-I336 WeakPolarHBondContact O-CG1 3.38Å; W332-I336 PolarHBondContact O-N 3.09Å; W332-Y351 HydrophobicContact CB-CD1 4.17Å; W332-Y351 AromaticContact CD1-CD1 3.49Å; W332-Y351 VanDerWaalsContact CD1-CD1 3.49Å; W332-Y351 AromaticContact CD1-CE1 3.58Å; W332-Y351 HydrophobicContact CD2-CD1 4.29Å; W332-Y351 AromaticContact CG-CD1 3.75Å; W332-Y351 HydrophobicContact CG-CD1 3.75Å; W332-Y351 HydrophobicContact CG-CE1 4.29Å; W332-Y351 AromaticContact NE1-CD1 3.87Å; W332-Y351 AromaticContact NE1-CE1 3.71Å; W332-A354 HydrophobicContact CD2-CB 4.4Å; W332-A354 HydrophobicContact CE3-CB 3.96Å; W332-A354 HydrophobicContact CH2-CB 3.79Å; W332-A354 HydrophobicContact CZ2-CB 4.27Å; W332-A354 VanDerWaalsContact CZ3-C 3.48Å; W332-A354 HydrophobicContact CZ3-CB 3.65Å; W332-A354 WeakPolarHBondContact CZ3-O 3.49Å; W332-L355 HydrophobicContact CE3-CB 4.3Å; W332-L355 HydrophobicContact CE3-CD1 4.36Å; W332-I358 HydrophobicContact CE3-CD1 3.87Å; W332-I358 HydrophobicContact CH2-CD1 4.44Å; W332-I358 HydrophobicContact CZ3-CD1 3.5Å; W332-I358 VanDerWaalsContact CZ3-CD1 3.5Å; W332-I358 HydrophobicContact CZ3-CG1 4.05Å; W332-I358 HydrophobicContact CZ3-CG2 4.45Å
333T98Very high97.1Very high0 Ų016.5 Ų16.50%010%0.1CC..Hα-helixtrans-64.4-37.5172.472.70000111.8V330 F331 I336 I337 L355 L406V330-T333 WeakPolarHBondContact O-CB 3.35Å; V330-T333 PolarHBondContact O-N 3.3Å; V330-T333 PolarHBondContact O-OG1 2.91Å; F331-T333 VanDerWaalsContact C-N 3.32Å; T333-I336 PolarHBondContact O-N 3.3Å; T333-I337 VanDerWaalsContact O-CG1 3.32Å; T333-I337 WeakPolarHBondContact O-CG1 3.43Å; T333-I337 PolarHBondContact O-N 3.07Å; T333-I337 VanDerWaalsContact O-N 3.07Å; T333-L355 HydrophobicContact CG2-CD2 3.8Å; T333-L406 HydrophobicContact CG2-CB 4.49Å; T333-L406 VanDerWaalsContact OG1-CB 3.24Å; T333-L406 WeakPolarHBondContact OG1-CB 3.32Å
334Y98Very high97.3Very high7 Ų717 Ų173%0.02710%0.103CC..Hα-helixtrans-61.3-44.2171.1-81.9-77.4000111.8Y49 L260 F265 V330 F331 W332 I337 D338 W402 L406Y49-Y334 WeakPolarHBondContact CE1-OH 3.32Å; Y49-Y334 PolarHBondContact OH-OH 2.9Å; L260-Y334 HydrophobicContact CB-CG 4.35Å; F265-Y334 WeakPolarHBondContact O-CD1 3.29Å; F265-Y334 VanDerWaalsContact O-CE1 3.25Å; F265-Y334 WeakPolarHBondContact O-CE1 3.36Å; V330-Y334 HydrophobicContact CG2-CD2 4.33Å; V330-Y334 HydrophobicContact CG2-CE2 4.06Å; V330-Y334 WeakPolarHBondContact O-CD2 3.33Å; V330-Y334 PolarHBondContact O-N 3.38Å; F331-Y334 HydrophobicContact CD1-CD2 4.29Å; F331-Y334 WeakPolarHBondContact O-CB 3.34Å; F331-Y334 PolarHBondContact O-N 2.93Å; W332-Y334 VanDerWaalsContact C-N 3.31Å; W332-Y334 PolarHBondContact O-N 2.99Å; Y334-I337 PolarHBondContact O-N 3.04Å; Y334-D338 WeakPolarHBondContact O-CB 3.41Å; Y334-D338 PolarHBondContact O-N 3.19Å; Y334-W402 HydrophobicContact CE2-CZ2 4.07Å; Y334-W402 AromaticContact CE2-NE1 3.97Å; Y334-W402 AromaticContact CZ-NE1 3.97Å; Y334-W402 VanDerWaalsContact OH-CZ2 3.26Å; Y334-W402 WeakPolarHBondContact OH-CZ2 3.27Å; Y334-W402 PolarHBondContact OH-NE1 3.42Å; Y334-L406 HydrophobicContact CD2-CD1 4.1Å; Y334-L406 HydrophobicContact CE1-CD1 4.16Å; Y334-L406 HydrophobicContact CE2-CD1 3.62Å
335L98.3Very high97.3Very high1 Ų120.6 Ų20.61%0.00513%0.132CC..Hα-helixtrans-68.6-32.6179.6-65.7169.3000112.8L260 K280 I284 F331 W332 G339 Q347 Y351L260-L335 HydrophobicContact CD1-CD2 4.38Å; L260-L335 HydrophobicContact CD1-CG 4.35Å; L260-L335 HydrophobicContact CD2-CD2 3.99Å; K280-L335 HydrophobicContact CD-CD2 4.28Å; I284-L335 HydrophobicContact CD1-CD2 4.36Å; F331-L335 WeakPolarHBondContact O-CG 3.33Å; F331-L335 PolarHBondContact O-N 3.01Å; W332-L335 PolarHBondContact O-N 3.3Å; L335-G339 PolarHBondContact O-N 3.12Å; L335-Q347 PolarHBondContact O-NE2 3.2Å; L335-Y351 HydrophobicContact CB-CD1 4.42Å; L335-Y351 HydrophobicContact CB-CD2 3.63Å; L335-Y351 HydrophobicContact CB-CE1 4.49Å; L335-Y351 HydrophobicContact CB-CE2 3.71Å; L335-Y351 HydrophobicContact CB-CG 4.02Å; L335-Y351 HydrophobicContact CD1-CD1 4.21Å; L335-Y351 HydrophobicContact CD1-CD2 4.39Å; L335-Y351 HydrophobicContact CD1-CE1 3.6Å; L335-Y351 HydrophobicContact CD1-CE2 3.82Å; L335-Y351 WeakPolarHBondContact CD1-OH 3.35Å; L335-Y351 HydrophobicContact CG-CE2 4.25Å
336I98.4Very high97.4Very high2 Ų225.2 Ų25.21%0.0116%0.161CC..Hα-helixtrans-63-49.6170.5-65.9163.9000109.7W332 T333 D338 G339 I340 V348 R352 L355W332-I336 VanDerWaalsContact O-CG1 3.28Å; W332-I336 WeakPolarHBondContact O-CG1 3.38Å; W332-I336 PolarHBondContact O-N 3.09Å; T333-I336 PolarHBondContact O-N 3.3Å; I336-D338 PolarHBondContact O-N 3.06Å; I336-G339 PolarHBondContact O-N 2.94Å; I336-I340 HydrophobicContact CG2-CD1 4.12Å; I336-I340 WeakPolarHBondContact O-CG1 3.39Å; I336-I340 PolarHBondContact O-N 2.68Å; I336-V348 HydrophobicContact CG2-CG1 4.33Å; I336-R352 HydrophobicContact CD1-CG 3.84Å; I336-R352 HydrophobicContact CG1-CG 4.14Å; I336-R352 HydrophobicContact CG2-CG 4.18Å; I336-L355 HydrophobicContact CD1-CD2 4.01Å
337I98Very high97.4Very high0 Ų026.1 Ų26.10%017%0.165CC..Hα-helixtrans-62.1-44.8179.6-64.6169.7000110.4F265 T333 Y334 G339 I340 F341 L406F265-I337 HydrophobicContact CB-CG2 3.6Å; F265-I337 HydrophobicContact CD1-CD1 4.23Å; F265-I337 HydrophobicContact CD1-CG2 3.99Å; F265-I337 HydrophobicContact CG-CG2 3.81Å; T333-I337 VanDerWaalsContact O-CG1 3.32Å; T333-I337 WeakPolarHBondContact O-CG1 3.43Å; T333-I337 PolarHBondContact O-N 3.07Å; T333-I337 VanDerWaalsContact O-N 3.07Å; Y334-I337 PolarHBondContact O-N 3.04Å; I337-G339 VanDerWaalsContact C-N 3.31Å; I337-G339 PolarHBondContact O-N 3.49Å; I337-I340 WeakPolarHBondContact O-CB 3.41Å; I337-I340 PolarHBondContact O-N 3.35Å; I337-I340 VanDerWaalsContact O-N 3.08Å; I337-F341 HydrophobicContact CG2-CD2 3.62Å; I337-F341 HydrophobicContact CG2-CE2 3.57Å; I337-F341 WeakPolarHBondContact O-CD2 3.07Å; I337-F341 PolarHBondContact O-N 3.28Å; I337-L406 HydrophobicContact CD1-CB 4.38Å; I337-L406 HydrophobicContact CD1-CD2 4.06Å
338D97.2Very high97.4Very high8 Ų826.8 Ų26.84%0.04317%0.169CC..Hα-helixtrans-54.2-46.5174.7-178.470.6000111.9S264 K280 Y334 I336 I340 F341 N342 Q347S264-D338 WeakPolarHBondContact CB-OD1 3.2Å; S264-D338 WeakPolarHBondContact OG-CB 3.42Å; S264-D338 PolarHBondContact OG-OD1 2.8Å; K280-D338 IonicContact NZ-OD2 3.89Å; K280-D338 PolarHBondContact NZ-OD2 2.65Å; Y334-D338 WeakPolarHBondContact O-CB 3.41Å; Y334-D338 PolarHBondContact O-N 3.19Å; I336-D338 PolarHBondContact O-N 3.06Å; D338-I340 VanDerWaalsContact C-N 3.31Å; D338-I340 PolarHBondContact O-N 2.73Å; D338-F341 PolarHBondContact O-N 2.82Å; D338-N342 VanDerWaalsContact CG-ND2 3.35Å; D338-N342 WeakPolarHBondContact O-CB 3.22Å; D338-N342 PolarHBondContact O-N 3.05Å; D338-N342 PolarHBondContact O-ND2 3.06Å; D338-N342 PolarHBondContact OD1-ND2 2.71Å; D338-N342 VanDerWaalsContact OD1-ND2 3.15Å; D338-N342 PolarHBondContact OD2-ND2 3.37Å; D338-Q347 PolarHBondContact OD2-NE2 2.89Å
339G97.3Very high97.4Very high0 Ų030.7 Ų30.70%019%0.188CC..Hα-helixtrans-61.4-39.2177.100000112.1L335 I336 I337 N342 G343 D344 Q347L335-G339 PolarHBondContact O-N 3.12Å; I336-G339 PolarHBondContact O-N 2.94Å; I337-G339 VanDerWaalsContact C-N 3.31Å; I337-G339 PolarHBondContact O-N 3.49Å; G339-N342 PolarHBondContact O-N 3.11Å; G339-G343 CarbonylContact O-C 3.58Å; G339-G343 PolarHBondContact O-N 2.79Å; G339-D344 PolarHBondContact O-N 2.64Å; G339-Q347 VanDerWaalsContact N-NE2 3.18Å
340I97.4Very high97.3Very high33 Ų3335.8 Ų35.817%0.16921%0.212CC..Hα-helixtrans-64.3-46.4176-64.8167.5000111.3I336 I337 D338 N342 G343 V348 L413 A414 P420I336-I340 HydrophobicContact CG2-CD1 4.12Å; I336-I340 WeakPolarHBondContact O-CG1 3.39Å; I336-I340 PolarHBondContact O-N 2.68Å; I337-I340 WeakPolarHBondContact O-CB 3.41Å; I337-I340 PolarHBondContact O-N 3.35Å; I337-I340 VanDerWaalsContact O-N 3.08Å; D338-I340 VanDerWaalsContact C-N 3.31Å; D338-I340 PolarHBondContact O-N 2.73Å; I340-N342 VanDerWaalsContact C-N 3.29Å; I340-N342 PolarHBondContact O-N 3.15Å; I340-G343 PolarHBondContact O-N 3.41Å; I340-V348 HydrophobicContact CG1-CG1 4.46Å; I340-V348 HydrophobicContact CG1-CG2 3.69Å; I340-L413 HydrophobicContact CD1-CB 3.65Å; I340-L413 HydrophobicContact CD1-CD1 4.34Å; I340-L413 HydrophobicContact CG2-CB 4.25Å; I340-A414 HydrophobicContact CD1-CB 4Å; I340-P420 HydrophobicContact CG2-CG 4.18Å
341F95.8Very high97.4Very high32 Ų3236.4 Ų36.414%0.1421%0.214CC..Hα-helixtrans-65.8-32.6179.4-86.6-92.6000112.5F265 F268 I337 D338 P420 I423 D424 R429F265-F341 HydrophobicContact CB-CD2 4.42Å; F265-F341 HydrophobicContact CB-CE2 4.08Å; F265-F341 AromaticContact CD2-CE2 3.86Å; F265-F341 HydrophobicContact CD2-CE2 3.86Å; F265-F341 AromaticContact CD2-CZ 3.85Å; F265-F341 HydrophobicContact CD2-CZ 3.85Å; F265-F341 HydrophobicContact CG-CE2 4.18Å; F268-F341 HydrophobicContact CE1-CD1 4.15Å; F268-F341 HydrophobicContact CE1-CG 4.32Å; F268-F341 HydrophobicContact CE2-CD1 4.47Å; F268-F341 HydrophobicContact CE2-CE1 4.08Å; F268-F341 HydrophobicContact CE2-CZ 4.34Å; F268-F341 AromaticContact CZ-CD1 3.57Å; F268-F341 HydrophobicContact CZ-CD1 3.57Å; F268-F341 HydrophobicContact CZ-CD2 4.21Å; F268-F341 AromaticContact CZ-CE1 3.58Å; F268-F341 HydrophobicContact CZ-CE1 3.58Å; F268-F341 HydrophobicContact CZ-CE2 4.23Å; F268-F341 AromaticContact CZ-CG 3.9Å; F268-F341 HydrophobicContact CZ-CG 3.9Å; F268-F341 AromaticContact CZ-CZ 3.94Å; F268-F341 HydrophobicContact CZ-CZ 3.94Å; I337-F341 HydrophobicContact CG2-CD2 3.62Å; I337-F341 HydrophobicContact CG2-CE2 3.57Å; I337-F341 WeakPolarHBondContact O-CD2 3.07Å; I337-F341 PolarHBondContact O-N 3.28Å; D338-F341 PolarHBondContact O-N 2.82Å; F341-P420 HydrophobicContact CD1-CB 3.83Å; F341-P420 HydrophobicContact CE1-CB 3.6Å; F341-P420 HydrophobicContact CE2-CB 4.46Å; F341-P420 HydrophobicContact CG-CB 4.37Å; F341-P420 HydrophobicContact CZ-CB 3.94Å; F341-I423 HydrophobicContact CE2-CD1 3.99Å; F341-I423 HydrophobicContact CZ-CD1 3.96Å; F341-I423 HydrophobicContact CZ-CG1 4.08Å; F341-D424 HydrophobicContact CE1-CB 4.25Å; F341-D424 HydrophobicContact CZ-CB 4.42Å; F341-R429 HydrophobicContact CD1-CB 3.74Å; F341-R429 HydrophobicContact CD1-CG 4.34Å; F341-R429 HydrophobicContact CE1-CB 3.96Å; F341-R429 HydrophobicContact CE1-CG 4.46Å
342N94.2Very high97.3Very high104 Ų10440.1 Ų40.156%0.55623%0.228SC*.Hα-helixtrans-86.4-7177.4-68.8-45.7000113.9D338 G339 I340 D344D338-N342 VanDerWaalsContact CG-ND2 3.35Å; D338-N342 WeakPolarHBondContact O-CB 3.22Å; D338-N342 PolarHBondContact O-N 3.05Å; D338-N342 PolarHBondContact O-ND2 3.06Å; D338-N342 PolarHBondContact OD1-ND2 2.71Å; D338-N342 VanDerWaalsContact OD1-ND2 3.15Å; D338-N342 PolarHBondContact OD2-ND2 3.37Å; G339-N342 PolarHBondContact O-N 3.11Å; I340-N342 VanDerWaalsContact C-N 3.29Å; I340-N342 PolarHBondContact O-N 3.15Å; N342-D344 VanDerWaalsContact C-N 3.27Å; N342-D344 PolarHBondContact O-N 3.32Å
343G95.1Very high97.3Very high67 Ų6745.3 Ų45.369%0.69125%0.253SS*.THydrogen-bonded Turntrans69.920.8-174.700000114.2G339 I340 A345G339-G343 CarbonylContact O-C 3.58Å; G339-G343 PolarHBondContact O-N 2.79Å; I340-G343 PolarHBondContact O-N 3.41Å; G343-A345 PolarHBondContact O-N 3.04Å
344D97.1Very high97.3Very high65 Ų6546.9 Ų46.935%0.34827%0.266SS..  trans-8889.2178.5-169.6-20.6000110.9G339 N342 V346 Q347 V348G339-D344 PolarHBondContact O-N 2.64Å; N342-D344 VanDerWaalsContact C-N 3.27Å; N342-D344 PolarHBondContact O-N 3.32Å; D344-V346 PolarHBondContact O-N 2.76Å; D344-V346 WeakPolarHBondContact OD1-CB 3.4Å; D344-V346 PolarHBondContact OD1-N 3.01Å; D344-Q347 HydrophobicContact CB-CB 4Å; D344-Q347 VanDerWaalsContact CG-CB 3.49Å; D344-Q347 PolarHBondContact O-N 3.08Å; D344-Q347 PolarHBondContact OD1-N 2.82Å; D344-V348 VanDerWaalsContact O-CG2 3.28Å; D344-V348 WeakPolarHBondContact O-CG2 3.33Å; D344-V348 PolarHBondContact O-N 3.21Å; D344-V348 VanDerWaalsContact O-N 3.14Å
345A96.4Very high97.2Very high75 Ų7546.7 Ų46.762%0.6227%0.265SS*.Hα-helixtrans-65.2-24.5179.200000113.5G343 Q349G343-A345 PolarHBondContact O-N 3.04Å; A345-Q349 WeakPolarHBondContact O-CB 3.43Å; A345-Q349 PolarHBondContact O-N 2.84Å; A345-Q349 VanDerWaalsContact O-N 3.08Å
346V98.1Very high97.1Very high109 Ų10950.7 Ų50.766%0.66128%0.284SS*.Hα-helixtrans-73.1-50.3179.81800000109.2D344 V348 Q349 E350D344-V346 PolarHBondContact O-N 2.76Å; D344-V346 WeakPolarHBondContact OD1-CB 3.4Å; D344-V346 PolarHBondContact OD1-N 3.01Å; V346-V348 VanDerWaalsContact C-N 3.28Å; V346-V348 PolarHBondContact O-N 2.78Å; V346-Q349 PolarHBondContact O-N 2.8Å; V346-E350 WeakPolarHBondContact O-CB 3.48Å; V346-E350 PolarHBondContact O-N 2.93Å
347Q97.4Very high97Very high20 Ų2053.8 Ų53.89%0.09332%0.317CS..Hα-helixtrans-55.9-44.8174.6-173.8179.6-61.900111.1L335 D338 G339 D344 Q349 Y351L335-Q347 PolarHBondContact O-NE2 3.2Å; D338-Q347 PolarHBondContact OD2-NE2 2.89Å; G339-Q347 VanDerWaalsContact N-NE2 3.18Å; D344-Q347 HydrophobicContact CB-CB 4Å; D344-Q347 VanDerWaalsContact CG-CB 3.49Å; D344-Q347 PolarHBondContact O-N 3.08Å; D344-Q347 PolarHBondContact OD1-N 2.82Å; Q347-Q349 PolarHBondContact O-N 3.44Å; Q347-Y351 HydrophobicContact CG-CD2 3.73Å; Q347-Y351 HydrophobicContact CG-CE2 3.73Å; Q347-Y351 VanDerWaalsContact O-CD2 3.29Å; Q347-Y351 WeakPolarHBondContact O-CD2 3.3Å; Q347-Y351 PolarHBondContact O-N 2.99Å; Q347-Y351 VanDerWaalsContact O-N 3.14Å
348V98.1Very high96.9Very high16 Ų1654.9 Ų54.910%0.09732%0.322CS..Hα-helixtrans-59.3-47.5178.1170.50000111.5I336 I340 D344 V346 R352I336-V348 HydrophobicContact CG2-CG1 4.33Å; I340-V348 HydrophobicContact CG1-CG1 4.46Å; I340-V348 HydrophobicContact CG1-CG2 3.69Å; D344-V348 VanDerWaalsContact O-CG2 3.28Å; D344-V348 WeakPolarHBondContact O-CG2 3.33Å; D344-V348 PolarHBondContact O-N 3.21Å; D344-V348 VanDerWaalsContact O-N 3.14Å; V346-V348 VanDerWaalsContact C-N 3.28Å; V346-V348 PolarHBondContact O-N 2.78Å; V348-R352 HydrophobicContact CG1-CG 4.42Å; V348-R352 VanDerWaalsContact O-CB 3.3Å; V348-R352 WeakPolarHBondContact O-CB 3.18Å; V348-R352 WeakPolarHBondContact O-CG 3.36Å; V348-R352 PolarHBondContact O-N 3.31Å; V348-R352 VanDerWaalsContact O-N 3.07Å
349Q97.9Very high96.9Very high91 Ų9155.3 Ų55.343%0.42533%0.325SS..Hα-helixtrans-68.7-43.4-177.3-172.559.828.100111.7A345 V346 Q347 Y351 R352 E353A345-Q349 WeakPolarHBondContact O-CB 3.43Å; A345-Q349 PolarHBondContact O-N 2.84Å; A345-Q349 VanDerWaalsContact O-N 3.08Å; V346-Q349 PolarHBondContact O-N 2.8Å; Q347-Q349 PolarHBondContact O-N 3.44Å; Q349-Y351 PolarHBondContact O-N 2.98Å; Q349-R352 PolarHBondContact O-N 2.84Å; Q349-E353 PolarHBondContact NE2-OE1 3.45Å; Q349-E353 WeakPolarHBondContact O-CG 3.23Å; Q349-E353 PolarHBondContact O-N 3.21Å
350E97.6Very high96.8Very high108 Ų10857.4 Ų57.451%0.50534%0.335SS..Hα-helixtrans-55.1-54.5178.2179.8178.4177.400111.7V346 R352 E353 A354V346-E350 WeakPolarHBondContact O-CB 3.48Å; V346-E350 PolarHBondContact O-N 2.93Å; E350-R352 PolarHBondContact O-N 3.46Å; E350-E353 PolarHBondContact O-N 3.02Å; E350-A354 WeakPolarHBondContact O-CB 3.28Å; E350-A354 PolarHBondContact O-N 2.77Å
351Y98.1Very high96.5Very high13 Ų1364.4 Ų64.45%0.05136%0.359CS..Hα-helixtrans-73.8-25.3-178.1-71.7-65.9000113.3Q288 W332 L335 Q347 Q349 L355Q288-Y351 PolarHBondContact OE1-OH 2.89Å; W332-Y351 HydrophobicContact CB-CD1 4.17Å; W332-Y351 AromaticContact CD1-CD1 3.49Å; W332-Y351 VanDerWaalsContact CD1-CD1 3.49Å; W332-Y351 AromaticContact CD1-CE1 3.58Å; W332-Y351 HydrophobicContact CD2-CD1 4.29Å; W332-Y351 AromaticContact CG-CD1 3.75Å; W332-Y351 HydrophobicContact CG-CD1 3.75Å; W332-Y351 HydrophobicContact CG-CE1 4.29Å; W332-Y351 AromaticContact NE1-CD1 3.87Å; W332-Y351 AromaticContact NE1-CE1 3.71Å; L335-Y351 HydrophobicContact CB-CD1 4.42Å; L335-Y351 HydrophobicContact CB-CD2 3.63Å; L335-Y351 HydrophobicContact CB-CE1 4.49Å; L335-Y351 HydrophobicContact CB-CE2 3.71Å; L335-Y351 HydrophobicContact CB-CG 4.02Å; L335-Y351 HydrophobicContact CD1-CD1 4.21Å; L335-Y351 HydrophobicContact CD1-CD2 4.39Å; L335-Y351 HydrophobicContact CD1-CE1 3.6Å; L335-Y351 HydrophobicContact CD1-CE2 3.82Å; L335-Y351 WeakPolarHBondContact CD1-OH 3.35Å; L335-Y351 HydrophobicContact CG-CE2 4.25Å; Q347-Y351 HydrophobicContact CG-CD2 3.73Å; Q347-Y351 HydrophobicContact CG-CE2 3.73Å; Q347-Y351 VanDerWaalsContact O-CD2 3.29Å; Q347-Y351 WeakPolarHBondContact O-CD2 3.3Å; Q347-Y351 PolarHBondContact O-N 2.99Å; Q347-Y351 VanDerWaalsContact O-N 3.14Å; Q349-Y351 PolarHBondContact O-N 2.98Å; Y351-L355 WeakPolarHBondContact O-CB 3.3Å; Y351-L355 PolarHBondContact O-N 2.92Å
352R97.6Very high96Very high79 Ų7964.1 Ų64.130%0.29837%0.366SS..Hα-helixtrans-66.7-44.4171.2-79.5-179.278.1166.610.5111.7I336 V348 Q349 E350 L355 E356 A414I336-R352 HydrophobicContact CD1-CG 3.84Å; I336-R352 HydrophobicContact CG1-CG 4.14Å; I336-R352 HydrophobicContact CG2-CG 4.18Å; V348-R352 HydrophobicContact CG1-CG 4.42Å; V348-R352 VanDerWaalsContact O-CB 3.3Å; V348-R352 WeakPolarHBondContact O-CB 3.18Å; V348-R352 WeakPolarHBondContact O-CG 3.36Å; V348-R352 PolarHBondContact O-N 3.31Å; V348-R352 VanDerWaalsContact O-N 3.07Å; Q349-R352 PolarHBondContact O-N 2.84Å; E350-R352 PolarHBondContact O-N 3.46Å; R352-L355 PolarHBondContact O-N 3.24Å; R352-E356 WeakPolarHBondContact O-CB 3.48Å; R352-E356 PolarHBondContact O-N 3.01Å; R352-A414 VanDerWaalsContact NH1-CB 3.26Å
353E97.6Very high95.3Very high121 Ų12168.2 Ų68.257%0.56538%0.378SS*.Hα-helixtrans-64.9-44.5176.7-72.7176.8-172.300111.2Q349 E350 L355 E356 G357Q349-E353 PolarHBondContact NE2-OE1 3.45Å; Q349-E353 WeakPolarHBondContact O-CG 3.23Å; Q349-E353 PolarHBondContact O-N 3.21Å; E350-E353 PolarHBondContact O-N 3.02Å; E353-L355 PolarHBondContact O-N 3.26Å; E353-E356 PolarHBondContact O-N 2.91Å; E353-G357 PolarHBondContact O-N 3.45Å; E353-G357 VanDerWaalsContact O-N 3.08Å
354A97.3Very high94.5Very high34 Ų3472.2 Ų72.228%0.28138%0.384SS..Hα-helixtrans-59.5-47.4176.100000111.6W332 E350 G357W332-A354 HydrophobicContact CD2-CB 4.4Å; W332-A354 HydrophobicContact CE3-CB 3.96Å; W332-A354 HydrophobicContact CH2-CB 3.79Å; W332-A354 HydrophobicContact CZ2-CB 4.27Å; W332-A354 VanDerWaalsContact CZ3-C 3.48Å; W332-A354 HydrophobicContact CZ3-CB 3.65Å; W332-A354 WeakPolarHBondContact CZ3-O 3.49Å; E350-A354 WeakPolarHBondContact O-CB 3.28Å; E350-A354 PolarHBondContact O-N 2.77Å; A354-G357 PolarHBondContact O-N 2.79Å
355L97Very high93.9Very high3 Ų371.3 Ų71.32%0.01639%0.39CS..Hα-helixtrans-64-47179.2-173.163.4000111.5P329 W332 T333 I336 Y351 R352 E353 G357 I358 L359 Y407P329-L355 HydrophobicContact CB-CD1 4.03Å; W332-L355 HydrophobicContact CE3-CB 4.3Å; W332-L355 HydrophobicContact CE3-CD1 4.36Å; T333-L355 HydrophobicContact CG2-CD2 3.8Å; I336-L355 HydrophobicContact CD1-CD2 4.01Å; Y351-L355 WeakPolarHBondContact O-CB 3.3Å; Y351-L355 PolarHBondContact O-N 2.92Å; R352-L355 PolarHBondContact O-N 3.24Å; E353-L355 PolarHBondContact O-N 3.26Å; L355-G357 PolarHBondContact O-N 2.77Å; L355-I358 HydrophobicContact CD1-CD1 4.26Å; L355-I358 HydrophobicContact CD1-CG1 4.31Å; L355-I358 WeakPolarHBondContact O-CG1 3.36Å; L355-I358 PolarHBondContact O-N 2.66Å; L355-L359 HydrophobicContact CD1-CD2 4.32Å; L355-L359 HydrophobicContact CG-CD2 4.27Å; L355-L359 HydrophobicContact CG-CG 4.38Å; L355-L359 WeakPolarHBondContact O-CG 3.31Å; L355-L359 PolarHBondContact O-N 2.69Å; L355-L359 VanDerWaalsContact O-N 3.12Å; L355-Y407 HydrophobicContact CD2-CD2 3.65Å; L355-Y407 HydrophobicContact CD2-CE2 4.26Å
356E95.4Very high93.6Very high84 Ų8469.2 Ų69.239%0.39337%0.369SS..Hα-helixtrans-58-33.9178-173.265.6-152.500112.2R352 E353 I358 H367R352-E356 WeakPolarHBondContact O-CB 3.48Å; R352-E356 PolarHBondContact O-N 3.01Å; E353-E356 PolarHBondContact O-N 2.91Å; E356-I358 PolarHBondContact O-N 3.17Å; E356-H367 IonicContact OE1-CE1 2.79Å; E356-H367 PolarHBondContact OE1-CE1 2.94Å; E356-H367 IonicContact OE1-NE2 3.13Å
357G95.6Very high93.4Very high68 Ų6866.1 Ų66.170%0.70135%0.347SS*.Hα-helixtrans-64.4-20.4176.400000114.8E353 A354 L355E353-G357 PolarHBondContact O-N 3.45Å; E353-G357 VanDerWaalsContact O-N 3.08Å; A354-G357 PolarHBondContact O-N 2.79Å; L355-G357 PolarHBondContact O-N 2.77Å
358I96.3Very high93.3Very high22 Ų2266.3 Ų66.311%0.11335%0.348CS..Hα-helixtrans-112.6-16.6-177.364.9166.9000113.7Y291 P329 W332 L355 E356 I360 Y373Y291-I358 HydrophobicContact CD1-CB 4.42Å; Y291-I358 HydrophobicContact CD1-CG2 3.7Å; Y291-I358 HydrophobicContact CE1-CG2 4.23Å; Y291-I358 VanDerWaalsContact O-CD1 3.29Å; Y291-I358 WeakPolarHBondContact O-CD1 3.47Å; P329-I358 HydrophobicContact CB-CD1 3.84Å; P329-I358 HydrophobicContact CG-CD1 3.78Å; W332-I358 HydrophobicContact CE3-CD1 3.87Å; W332-I358 HydrophobicContact CH2-CD1 4.44Å; W332-I358 HydrophobicContact CZ3-CD1 3.5Å; W332-I358 VanDerWaalsContact CZ3-CD1 3.5Å; W332-I358 HydrophobicContact CZ3-CG1 4.05Å; W332-I358 HydrophobicContact CZ3-CG2 4.45Å; L355-I358 HydrophobicContact CD1-CD1 4.26Å; L355-I358 HydrophobicContact CD1-CG1 4.31Å; L355-I358 WeakPolarHBondContact O-CG1 3.36Å; L355-I358 PolarHBondContact O-N 2.66Å; E356-I358 PolarHBondContact O-N 3.17Å; I358-I360 PolarHBondContact O-N 2.73Å; I358-Y373 HydrophobicContact CB-CE2 4.35Å; I358-Y373 HydrophobicContact CD1-CE2 4Å; I358-Y373 PolarHBondContact O-OH 3.41Å
359L96.5Very high93.2Very high18 Ų1865.6 Ų65.69%0.09434%0.344CS..  trans-55.3138.9-178.5-69.7172.5000113.2L355 H367 V369 Y407L355-L359 HydrophobicContact CD1-CD2 4.32Å; L355-L359 HydrophobicContact CG-CD2 4.27Å; L355-L359 HydrophobicContact CG-CG 4.38Å; L355-L359 WeakPolarHBondContact O-CG 3.31Å; L355-L359 PolarHBondContact O-N 2.69Å; L355-L359 VanDerWaalsContact O-N 3.12Å; L359-H367 HydrophobicContact CB-CB 4.42Å; L359-H367 HydrophobicContact CD1-CB 4.02Å; L359-V369 HydrophobicContact CD2-CB 4.31Å; L359-V369 HydrophobicContact CD2-CG2 3.6Å; L359-Y407 HydrophobicContact CD1-CD2 4.45Å; L359-Y407 HydrophobicContact CD1-CE2 3.68Å
360I95.6Very high93.2Very high44 Ų4461.4 Ų61.423%0.22632%0.324CS..EExtended strand (participates in β ladder)trans-87.7130.2178.4-59.4176.9000109.3I358 G362 L368 P370 P394 L398I358-I360 PolarHBondContact O-N 2.73Å; I360-G362 PolarHBondContact O-N 2.74Å; I360-L368 HydrophobicContact CB-CB 4.44Å; I360-L368 PolarHBondContact N-O 3.16Å; I360-L368 PolarHBondContact O-N 3.09Å; I360-P370 HydrophobicContact CD1-CB 4.03Å; I360-P370 HydrophobicContact CD1-CG 4.15Å; I360-P370 HydrophobicContact CG1-CG 4.5Å; I360-P394 HydrophobicContact CD1-CB 3.61Å; I360-P394 HydrophobicContact CD1-CG 3.77Å; I360-L398 HydrophobicContact CB-CD1 4.36Å; I360-L398 HydrophobicContact CD1-CD1 3.83Å; I360-L398 HydrophobicContact CD1-CD2 3.8Å; I360-L398 HydrophobicContact CD1-CG 4.49Å; I360-L398 HydrophobicContact CG2-CD2 4.17Å
361R92.6Very high93.1Very high179 Ų17956.6 Ų56.668%0.67530%0.302SS*.EExtended strand (participates in β ladder)trans-85.7109.7174.8-66-176.3179.3-139.3-6.1110.3
362G85.2Confident93.1Very high26 Ų2656 Ų5627%0.26830%0.299SS..  trans-76.1-170.3174.300000113.5I360 G365 I366I360-G362 PolarHBondContact O-N 2.74Å; G362-G365 PolarHBondContact O-N 3.09Å; G362-I366 PolarHBondContact N-O 3.44Å
363K78.6Confident93.1Very high190 Ų19052.7 Ų52.783%0.82629%0.287SS*.G310 helixtrans-60.1146171.2-63.5-179.6-177.1176.30109.6G365 I366K363-G365 PolarHBondContact O-N 2.78Å; K363-G365 VanDerWaalsContact O-N 3.13Å; K363-I366 PolarHBondContact O-N 3.46Å
364D78.8Confident93.1Very high151 Ų15147 Ų4781%0.80726%0.261SS*.G310 helixtrans61.315.5-178.4-48.9-40.7000115.4
365G84.6Confident93.1Very high47 Ų4745.4 Ų45.449%0.48525%0.248SC..G310 helixtrans80.816.3175.600000115G362 K363G362-G365 PolarHBondContact O-N 3.09Å; K363-G365 PolarHBondContact O-N 2.78Å; K363-G365 VanDerWaalsContact O-N 3.13Å
366I90Very high93Very high31 Ų3146 Ų4616%0.15925%0.252CS..  trans-70131.5178.1-62.4167000110.4L17 Q20 T21 G362 K363 L368L17-I366 HydrophobicContact CD1-CG2 3.48Å; L17-I366 VanDerWaalsContact CD1-CG2 3.48Å; Q20-I366 HydrophobicContact CB-CD1 4.12Å; Q20-I366 HydrophobicContact CG-CD1 4.5Å; T21-I366 HydrophobicContact CG2-CG2 3.87Å; G362-I366 PolarHBondContact N-O 3.44Å; K363-I366 PolarHBondContact O-N 3.46Å; I366-L368 HydrophobicContact CG2-CD2 3.86Å; I366-L368 HydrophobicContact CG2-CG 4.5Å
367H92.8Very high93Very high43 Ų4346.6 Ų46.620%0.19926%0.263CS..EExtended strand (participates in β ladder)trans-79.6125.9172.8-62133.3000111.5E356 L359 Q404 Y407E356-H367 IonicContact OE1-CE1 2.79Å; E356-H367 PolarHBondContact OE1-CE1 2.94Å; E356-H367 IonicContact OE1-NE2 3.13Å; L359-H367 HydrophobicContact CB-CB 4.42Å; L359-H367 HydrophobicContact CD1-CB 4.02Å; H367-Q404 PolarHBondContact O-NE2 3.27Å; H367-Y407 HydrophobicContact CB-CE1 4.42Å
368L95.8Very high93Very high25 Ų2549.6 Ų49.613%0.13126%0.263CS..EExtended strand (participates in β ladder)trans-117.6126.4-178.6-56.4175.9000109.8T21 I360 I366 P370 L398 P399T21-L368 HydrophobicContact CG2-CD2 3.81Å; I360-L368 HydrophobicContact CB-CB 4.44Å; I360-L368 PolarHBondContact N-O 3.16Å; I360-L368 PolarHBondContact O-N 3.09Å; I366-L368 HydrophobicContact CG2-CD2 3.86Å; I366-L368 HydrophobicContact CG2-CG 4.5Å; L368-P370 WeakPolarHBondContact O-CD 3.35Å; L368-L398 HydrophobicContact CB-CD1 3.64Å; L368-L398 HydrophobicContact CB-CG 4.32Å; L368-L398 HydrophobicContact CD1-CD1 4.41Å; L368-L398 HydrophobicContact CD1-CG 4.2Å; L368-P399 HydrophobicContact CD2-CB 4.12Å; L368-P399 HydrophobicContact CD2-CG 4.27Å
369V96.8Very high93Very high0 Ų052.3 Ų52.30%027%0.274CS..  trans-84.3117.7172.3-174.70000108.5P329 L359 H400 Y407P329-V369 HydrophobicContact CB-CG1 4.21Å; L359-V369 HydrophobicContact CD2-CB 4.31Å; L359-V369 HydrophobicContact CD2-CG2 3.6Å; V369-H400 PolarHBondContact O-N 3.26Å; V369-Y407 HydrophobicContact CG2-CD1 4.28Å; V369-Y407 HydrophobicContact CG2-CG 4Å
370P96.5Very high92.9Very high3 Ų351.6 Ų51.62%0.01927%0.27CS..  trans-74.6162173.430.1-32.3000111.8P329 I360 L368 Y373 P394 L398P329-P370 HydrophobicContact CG-CG 4.24Å; I360-P370 HydrophobicContact CD1-CB 4.03Å; I360-P370 HydrophobicContact CD1-CG 4.15Å; I360-P370 HydrophobicContact CG1-CG 4.5Å; L368-P370 WeakPolarHBondContact O-CD 3.35Å; P370-Y373 HydrophobicContact CG-CD2 4.3Å; P370-Y373 HydrophobicContact CG-CE2 3.38Å; P370-Y373 WeakPolarHBondContact CG-OH 3.48Å; P370-P394 HydrophobicContact CB-CB 4.18Å; P370-P394 HydrophobicContact CG-CB 4.45Å; P370-L398 HydrophobicContact CB-CD1 4.03Å
371E96.2Very high92.9Very high7 Ų754 Ų543%0.03328%0.284CS..SBendtrans-62.8-51.8174.7-175.3176.3-15800111.3K302 W328 G396 K397 H400K302-E371 IonicContact NZ-OE1 3.79Å; K302-E371 IonicContact NZ-OE2 3.31Å; K302-E371 PolarHBondContact NZ-OE2 3.14Å; W328-E371 HydrophobicContact CE3-CG 4.28Å; W328-E371 VanDerWaalsContact CE3-O 3.3Å; W328-E371 HydrophobicContact CH2-CG 3.66Å; W328-E371 HydrophobicContact CZ2-CG 4.36Å; W328-E371 HydrophobicContact CZ3-CG 3.62Å; E371-G396 WeakPolarHBondContact OE2-CA 3.39Å; E371-K397 HydrophobicContact CB-CB 4.25Å; E371-K397 PolarHBondContact N-O 3.15Å; E371-K397 PolarHBondContact OE2-N 2.96Å; E371-H400 HydrophobicContact CB-CB 4.02Å
372L97.6Very high93.1Very high0 Ų050.3 Ų50.30%027%0.274CS..EExtended strand (participates in β ladder)trans-158170.5-177.860.578.4000113.6Y301 K302 C326 E327 W328 A374 P394 L395Y301-L372 HydrophobicContact CD1-CD2 3.91Å; Y301-L372 HydrophobicContact CE1-CD2 3.9Å; K302-L372 HydrophobicContact CB-CD1 4.44Å; K302-L372 HydrophobicContact CB-CD2 4.22Å; K302-L372 HydrophobicContact CD-CD2 3.97Å; C326-L372 HydrophobicContact CB-CB 4.28Å; C326-L372 HydrophobicContact CB-CD1 3.92Å; C326-L372 HydrophobicContact CB-CD2 3.94Å; C326-L372 HydrophobicContact CB-CG 4.28Å; E327-L372 CarbonylContact O-C 3.55Å; E327-L372 VanDerWaalsContact O-CA 3.3Å; E327-L372 WeakPolarHBondContact O-CA 3.43Å; W328-L372 HydrophobicContact CD2-CB 4.13Å; W328-L372 HydrophobicContact CG-CB 4.11Å; W328-L372 HydrophobicContact CZ2-CD2 3.65Å; L372-A374 HydrophobicContact CD1-CB 4.29Å; L372-P394 WeakPolarHBondContact O-CA 3.27Å; L372-L395 HydrophobicContact CD1-CB 3.7Å; L372-L395 PolarHBondContact N-O 3.33Å; L372-L395 PolarHBondContact O-N 2.65Å
373Y98.1Very high93.6Very high10 Ų1049.1 Ų49.14%0.03926%0.261CS..EExtended strand (participates in β ladder)trans-119.3126.6172.6-76.3-94.8000111.3Y291 C326 E327 P329 I358 P370 R392 I393 P394Y291-Y373 AromaticContact CD1-CD1 3.48Å; Y291-Y373 HydrophobicContact CD1-CD1 3.48Å; Y291-Y373 VanDerWaalsContact CD1-CD1 3.48Å; Y291-Y373 HydrophobicContact CD1-CD2 4.17Å; Y291-Y373 AromaticContact CD1-CE1 3.75Å; Y291-Y373 HydrophobicContact CD1-CE1 3.75Å; Y291-Y373 HydrophobicContact CD1-CE2 4.4Å; Y291-Y373 AromaticContact CD1-CG 3.72Å; Y291-Y373 HydrophobicContact CD1-CG 3.72Å; Y291-Y373 AromaticContact CE1-CD1 3.96Å; Y291-Y373 HydrophobicContact CE1-CD1 3.96Å; Y291-Y373 HydrophobicContact CE1-CE1 4.14Å; Y291-Y373 HydrophobicContact CG-CD1 4.08Å; Y291-Y373 HydrophobicContact CG-CD2 4.33Å; Y291-Y373 AromaticContact CG-CG 3.89Å; Y291-Y373 HydrophobicContact CG-CG 3.89Å; C326-Y373 WeakPolarHBondContact CA-O 3.43Å; E327-Y373 PolarHBondContact N-O 3.14Å; E327-Y373 PolarHBondContact O-N 3.36Å; P329-Y373 HydrophobicContact CG-CD2 3.76Å; P329-Y373 HydrophobicContact CG-CE2 3.6Å; I358-Y373 HydrophobicContact CB-CE2 4.35Å; I358-Y373 HydrophobicContact CD1-CE2 4Å; I358-Y373 PolarHBondContact O-OH 3.41Å; P370-Y373 HydrophobicContact CG-CD2 4.3Å; P370-Y373 HydrophobicContact CG-CE2 3.38Å; P370-Y373 WeakPolarHBondContact CG-OH 3.48Å; Y373-R392 HydrophobicContact CD1-CB 4.33Å; Y373-R392 PolarHBondContact O-NH1 3.49Å; Y373-I393 WeakPolarHBondContact CA-O 3.34Å; Y373-P394 HydrophobicContact CD1-CB 4.34Å; Y373-P394 HydrophobicContact CE1-CB 3.92Å; Y373-P394 HydrophobicContact CE1-CG 4.39Å
374A97.6Very high94.3Very high1 Ų143.5 Ų43.51%0.00824%0.235CC..EExtended strand (participates in β ladder)trans-117.8154.2-177.700000112.2L372 R392 I393 L395L372-A374 HydrophobicContact CD1-CB 4.29Å; A374-R392 CarbonylContact O-C 3.58Å; A374-R392 VanDerWaalsContact O-CA 3.24Å; A374-R392 WeakPolarHBondContact O-CA 3.46Å; A374-R392 WeakPolarHBondContact O-CB 3.4Å; A374-I393 PolarHBondContact N-O 2.79Å; A374-I393 WeakPolarHBondContact O-CG1 3.16Å; A374-I393 PolarHBondContact O-N 3.34Å; A374-L395 HydrophobicContact CB-CD1 3.52Å; A374-L395 HydrophobicContact CB-CG 4.22Å
375I97.2Very high95.1Very high2 Ų244.2 Ų44.21%0.0123%0.231CC..  trans-66.3137.2172.2-60.8-69.4000109.3P304 I324 V380 E383 V390 R392P304-I375 HydrophobicContact CG-CB 4.33Å; P304-I375 WeakPolarHBondContact CG-O 3.42Å; I324-I375 HydrophobicContact CB-CG1 4.45Å; I375-V380 HydrophobicContact CG2-CG2 4.2Å; I375-E383 HydrophobicContact CD1-CB 4.32Å; I375-E383 HydrophobicContact CD1-CG 3.8Å; I375-E383 HydrophobicContact CG1-CG 4.2Å; I375-E383 HydrophobicContact CG2-CB 4.41Å; I375-V390 HydrophobicContact CD1-CB 4.03Å; I375-V390 HydrophobicContact CD1-CG1 4.14Å; I375-V390 HydrophobicContact CG2-CG1 4.18Å; I375-R392 HydrophobicContact CD1-CG 3.77Å; I375-R392 HydrophobicContact CG1-CG 4.46Å
376P96.4Very high95.6Very high15 Ų1546.4 Ų46.410%0.09723%0.232CC..  trans-59.9136.2171.5-25.135.3000111.6D378 K379 D391 I393P376-D378 VanDerWaalsContact CB-OD1 3.23Å; P376-D378 WeakPolarHBondContact CB-OD1 3.3Å; P376-D378 PolarHBondContact O-N 2.65Å; P376-D378 VanDerWaalsContact O-N 3.09Å; P376-K379 HydrophobicContact CB-CB 4.4Å; P376-K379 HydrophobicContact CB-CG 4.32Å; P376-K379 HydrophobicContact CG-CD 4.39Å; P376-K379 PolarHBondContact O-N 2.79Å; P376-D391 VanDerWaalsContact CD-O 3.24Å; P376-D391 WeakPolarHBondContact CD-O 3.46Å; P376-I393 HydrophobicContact CG-CG2 4.17Å
377P94.5Very high95.7Very high96 Ų9647.5 Ų47.562%0.62324%0.241SC*.G310 helixtrans-55.6-30.8-176.6-2835000115P304 K379P304-P377 HydrophobicContact CB-CB 4.28Å; P304-P377 HydrophobicContact CB-CG 4.34Å; P377-K379 VanDerWaalsContact C-N 3.31Å; P377-K379 PolarHBondContact O-N 2.73Å
378D96Very high95.5Very high131 Ų13150 Ų5070%0.70125%0.253SS*.G310 helixtrans-76.9-11.7178.859.4-55.2000114.2P376P376-D378 VanDerWaalsContact CB-OD1 3.23Å; P376-D378 WeakPolarHBondContact CB-OD1 3.3Å; P376-D378 PolarHBondContact O-N 2.65Å; P376-D378 VanDerWaalsContact O-N 3.09Å
379K96.4Very high95.4Very high79 Ų7952.3 Ų52.334%0.34327%0.268SS..G310 helixtrans-114.97.3-175.5-61.9-167.3177.5-1730114.8P376 P377 D381 E382 E383 V390P376-K379 HydrophobicContact CB-CB 4.4Å; P376-K379 HydrophobicContact CB-CG 4.32Å; P376-K379 HydrophobicContact CG-CD 4.39Å; P376-K379 PolarHBondContact O-N 2.79Å; P377-K379 VanDerWaalsContact C-N 3.31Å; P377-K379 PolarHBondContact O-N 2.73Å; K379-D381 VanDerWaalsContact C-N 3.31Å; K379-D381 PolarHBondContact O-N 2.7Å; K379-E382 WeakPolarHBondContact O-CB 3.3Å; K379-E382 PolarHBondContact O-N 2.84Å; K379-E382 VanDerWaalsContact O-N 3.14Å; K379-E383 PolarHBondContact O-N 3.14Å; K379-E383 VanDerWaalsContact O-N 3.16Å; K379-V390 HydrophobicContact CB-CG1 3.68Å; K379-V390 HydrophobicContact CB-CG2 4.26Å; K379-V390 HydrophobicContact CD-CG1 3.7Å; K379-V390 HydrophobicContact CG-CG1 4.36Å
380V94.9Very high95.4Very high3 Ų352.6 Ų52.62%0.01827%0.269CS..Hα-helixtrans-58.5-42-178.6176.70000112.2P304 R305 I324 I375 E382 E383 Y384P304-V380 HydrophobicContact CB-CG2 3.6Å; P304-V380 HydrophobicContact CG-CG2 3.81Å; R305-V380 HydrophobicContact CG-CG1 4.21Å; I324-V380 HydrophobicContact CD1-CG1 4.24Å; I324-V380 HydrophobicContact CG2-CG1 4.34Å; I375-V380 HydrophobicContact CG2-CG2 4.2Å; V380-E382 VanDerWaalsContact C-N 3.27Å; V380-E382 PolarHBondContact O-N 2.85Å; V380-E383 PolarHBondContact O-N 3.29Å; V380-Y384 HydrophobicContact CG1-CD2 3.95Å; V380-Y384 HydrophobicContact CG1-CE2 3.48Å; V380-Y384 VanDerWaalsContact CG1-CE2 3.48Å; V380-Y384 WeakPolarHBondContact O-CD2 3.49Å; V380-Y384 PolarHBondContact O-N 2.85Å
381D95.5Very high95.4Very high96 Ų9656.8 Ų56.851%0.51329%0.292SS..Hα-helixtrans-71.7-22.3-178.6-63.1-20.1000113R305 K379 K385R305-D381 IonicContact NH2-OD1 2.94Å; R305-D381 PolarHBondContact NH2-OD1 2.65Å; K379-D381 VanDerWaalsContact C-N 3.31Å; K379-D381 PolarHBondContact O-N 2.7Å; D381-K385 WeakPolarHBondContact O-CG 3.49Å
382E95.8Very high95.4Very high100 Ų10057.1 Ų57.147%0.46729%0.293SS..Hα-helixtrans-72.9-45.7172.1-174.8179.5174.700110.3K379 V380 Y384 K385 N386 V390K379-E382 WeakPolarHBondContact O-CB 3.3Å; K379-E382 PolarHBondContact O-N 2.84Å; K379-E382 VanDerWaalsContact O-N 3.14Å; V380-E382 VanDerWaalsContact C-N 3.27Å; V380-E382 PolarHBondContact O-N 2.85Å; E382-Y384 PolarHBondContact O-N 2.89Å; E382-K385 PolarHBondContact O-N 2.92Å; E382-K385 VanDerWaalsContact O-N 3.16Å; E382-N386 PolarHBondContact O-N 3.38Å; E382-V390 HydrophobicContact CB-CG2 3.98Å; E382-V390 HydrophobicContact CG-CG2 3.88Å
383E95.1Very high95.4Very high1 Ų160.7 Ų60.71%0.00531%0.311CS..Hα-helixtrans-62.8-40.2178.3-172.767.9179.500112I324 I375 K379 V380 K385 N386 P387 H388 T389 V390I324-E383 HydrophobicContact CG2-CB 4.38Å; I324-E383 HydrophobicContact CG2-CG 4.05Å; I375-E383 HydrophobicContact CD1-CB 4.32Å; I375-E383 HydrophobicContact CD1-CG 3.8Å; I375-E383 HydrophobicContact CG1-CG 4.2Å; I375-E383 HydrophobicContact CG2-CB 4.41Å; K379-E383 PolarHBondContact O-N 3.14Å; K379-E383 VanDerWaalsContact O-N 3.16Å; V380-E383 PolarHBondContact O-N 3.29Å; E383-K385 VanDerWaalsContact C-N 3.27Å; E383-K385 PolarHBondContact O-N 3.26Å; E383-N386 CarbonylContact O-C 3.15Å; E383-N386 PolarHBondContact O-N 2.9Å; E383-P387 VanDerWaalsContact O-CA 3.28Å; E383-P387 WeakPolarHBondContact O-CA 3.46Å; E383-H388 VanDerWaalsContact OE1-CA 3.22Å; E383-H388 WeakPolarHBondContact OE1-CA 3.49Å; E383-H388 PolarHBondContact OE1-N 2.92Å; E383-T389 PolarHBondContact OE2-N 3.12Å; E383-T389 VanDerWaalsContact OE2-N 3.17Å; E383-V390 HydrophobicContact CB-CB 4.34Å; E383-V390 HydrophobicContact CB-CG2 3.95Å; E383-V390 VanDerWaalsContact OE2-CB 3.28Å; E383-V390 WeakPolarHBondContact OE2-CB 3.41Å; E383-V390 WeakPolarHBondContact OE2-CG2 3.37Å; E383-V390 PolarHBondContact OE2-N 3.31Å
384Y94.4Very high95.3Very high73 Ų7363 Ų6329%0.28633%0.327SS..Hα-helixtrans-61.4-34.2174.8-76.1-45.8000114L320 E322 I324 V380 E382L320-Y384 PolarHBondContact O-OH 3.01Å; E322-Y384 WeakPolarHBondContact O-CE1 3.43Å; I324-Y384 HydrophobicContact CG2-CD1 4.1Å; I324-Y384 HydrophobicContact CG2-CE1 3.78Å; V380-Y384 HydrophobicContact CG1-CD2 3.95Å; V380-Y384 HydrophobicContact CG1-CE2 3.48Å; V380-Y384 VanDerWaalsContact CG1-CE2 3.48Å; V380-Y384 WeakPolarHBondContact O-CD2 3.49Å; V380-Y384 PolarHBondContact O-N 2.85Å; E382-Y384 PolarHBondContact O-N 2.89Å
385K95.1Very high95.1Very high165 Ų16566.5 Ų66.572%0.71735%0.345SS*.Hα-helixtrans-75.4-38.4179.4-71.9171.6-174.7170.50111.2D381 E382 E383D381-K385 WeakPolarHBondContact O-CG 3.49Å; E382-K385 PolarHBondContact O-N 2.92Å; E382-K385 VanDerWaalsContact O-N 3.16Å; E383-K385 VanDerWaalsContact C-N 3.27Å; E383-K385 PolarHBondContact O-N 3.26Å
386N94.2Very high94.9Very high94 Ų9468.4 Ų68.450%0.50337%0.366SS..SBendtrans-135.786-178.8-53.2-75.6000109.1E382 E383 T389E382-N386 PolarHBondContact O-N 3.38Å; E383-N386 CarbonylContact O-C 3.15Å; E383-N386 PolarHBondContact O-N 2.9Å; N386-T389 HydrophobicContact CB-CG2 3.79Å; N386-T389 WeakPolarHBondContact O-CB 3.44Å; N386-T389 WeakPolarHBondContact O-CG2 3.43Å; N386-T389 PolarHBondContact O-N 2.96Å; N386-T389 PolarHBondContact O-OG1 2.82Å
387P92Very high94.7Very high54 Ų5469.5 Ų69.535%0.35137%0.369SS..THydrogen-bonded Turntrans-55144.9-179.4-29.637.1000113.1N323 E383 T389N323-P387 HydrophobicContact CB-CB 4.14Å; N323-P387 HydrophobicContact CB-CG 4.22Å; E383-P387 VanDerWaalsContact O-CA 3.28Å; E383-P387 WeakPolarHBondContact O-CA 3.46Å; P387-T389 VanDerWaalsContact C-N 3.31Å; P387-T389 PolarHBondContact O-N 3.46Å
388H89.9Confident94.6Very high95 Ų9568.8 Ų68.844%0.4436%0.359SS..THydrogen-bonded Turntrans65.921.2178.9-48.8-71.7000115.9R290 E383R290-H388 PolarHBondContact NE-O 3.15Å; E383-H388 VanDerWaalsContact OE1-CA 3.22Å; E383-H388 WeakPolarHBondContact OE1-CA 3.49Å; E383-H388 PolarHBondContact OE1-N 2.92Å
389T93.8Very high94.5Very high74 Ų7463.1 Ų63.145%0.45433%0.33SS..  trans-104.3-27.1-177.263.40000114.1R290 E383 N386 P387R290-T389 PolarHBondContact NH2-O 3.21Å; E383-T389 PolarHBondContact OE2-N 3.12Å; E383-T389 VanDerWaalsContact OE2-N 3.17Å; N386-T389 HydrophobicContact CB-CG2 3.79Å; N386-T389 WeakPolarHBondContact O-CB 3.44Å; N386-T389 WeakPolarHBondContact O-CG2 3.43Å; N386-T389 PolarHBondContact O-N 2.96Å; N386-T389 PolarHBondContact O-OG1 2.82Å; P387-T389 VanDerWaalsContact C-N 3.31Å; P387-T389 PolarHBondContact O-N 3.46Å
390V95.8Very high94.4Very high5 Ų559.6 Ų59.63%0.0332%0.315CS..SBendtrans-81.5134.9-177.2173.70000111.5R290 I375 K379 E382 E383R290-V390 PolarHBondContact NH2-O 3.22Å; I375-V390 HydrophobicContact CD1-CB 4.03Å; I375-V390 HydrophobicContact CD1-CG1 4.14Å; I375-V390 HydrophobicContact CG2-CG1 4.18Å; K379-V390 HydrophobicContact CB-CG1 3.68Å; K379-V390 HydrophobicContact CB-CG2 4.26Å; K379-V390 HydrophobicContact CD-CG1 3.7Å; K379-V390 HydrophobicContact CG-CG1 4.36Å; E382-V390 HydrophobicContact CB-CG2 3.98Å; E382-V390 HydrophobicContact CG-CG2 3.88Å; E383-V390 HydrophobicContact CB-CB 4.34Å; E383-V390 HydrophobicContact CB-CG2 3.95Å; E383-V390 VanDerWaalsContact OE2-CB 3.28Å; E383-V390 WeakPolarHBondContact OE2-CB 3.41Å; E383-V390 WeakPolarHBondContact OE2-CG2 3.37Å; E383-V390 PolarHBondContact OE2-N 3.31Å
391D96.4Very high94.5Very high92 Ų9259.9 Ų59.949%0.49232%0.316SS..PPolyproline II helixtrans-69.8134.3172.4-71-28.6000111.9R290 Y291 P376R290-D391 IonicContact CZ-OD1 2.61Å; R290-D391 VanDerWaalsContact CZ-OD1 3.31Å; R290-D391 IonicContact NH1-OD1 3.48Å; R290-D391 PolarHBondContact NH1-OD1 2.95Å; R290-D391 IonicContact NH2-OD1 3.33Å; R290-D391 PolarHBondContact NH2-OD1 2.59Å; Y291-D391 PolarHBondContact OH-OD1 3.4Å; P376-D391 VanDerWaalsContact CD-O 3.24Å; P376-D391 WeakPolarHBondContact CD-O 3.46Å
392R96.7Very high94.5Very high14 Ų1455.7 Ų55.75%0.05329%0.293CS..PPolyproline II helixtrans-96.8152.6-174.7-65.3175.6176.1-100.11.5111.4Y291 E325 E327 Y373 A374 I375Y291-R392 HydrophobicContact CD2-CB 3.99Å; Y291-R392 HydrophobicContact CD2-CG 4.09Å; Y291-R392 HydrophobicContact CE2-CB 3.84Å; Y291-R392 HydrophobicContact CE2-CG 4.03Å; Y291-R392 HydrophobicContact CG-CB 4.46Å; Y291-R392 PolarHBondContact OH-N 2.93Å; E325-R392 PolarHBondContact O-NH1 3.41Å; E325-R392 PolarHBondContact O-NH2 3.26Å; E327-R392 IonicContact OE1-CZ 2.64Å; E327-R392 VanDerWaalsContact OE1-CZ 3.24Å; E327-R392 IonicContact OE1-NE 3.1Å; E327-R392 PolarHBondContact OE1-NE 3.46Å; E327-R392 IonicContact OE1-NH2 3.36Å; E327-R392 PolarHBondContact OE1-NH2 3.29Å; E327-R392 IonicContact OE2-NE 2.6Å; Y373-R392 HydrophobicContact CD1-CB 4.33Å; Y373-R392 PolarHBondContact O-NH1 3.49Å; A374-R392 CarbonylContact O-C 3.58Å; A374-R392 VanDerWaalsContact O-CA 3.24Å; A374-R392 WeakPolarHBondContact O-CA 3.46Å; A374-R392 WeakPolarHBondContact O-CB 3.4Å; I375-R392 HydrophobicContact CD1-CG 3.77Å; I375-R392 HydrophobicContact CG1-CG 4.46Å
393I96.8Very high94.5Very high74 Ų7450.9 Ų50.938%0.37927%0.271SS..EExtended strand (participates in β ladder)trans-106.6143.6176.756.1169.3000110.8Y373 A374 P376Y373-I393 WeakPolarHBondContact CA-O 3.34Å; A374-I393 PolarHBondContact N-O 2.79Å; A374-I393 WeakPolarHBondContact O-CG1 3.16Å; A374-I393 PolarHBondContact O-N 3.34Å; P376-I393 HydrophobicContact CG-CG2 4.17Å
394P96.7Very high94.6Very high59 Ų5950.9 Ų50.938%0.38327%0.27SS..EExtended strand (participates in β ladder)trans-68.2135.6176.728.7-34000110.6I360 P370 L372 Y373I360-P394 HydrophobicContact CD1-CB 3.61Å; I360-P394 HydrophobicContact CD1-CG 3.77Å; P370-P394 HydrophobicContact CB-CB 4.18Å; P370-P394 HydrophobicContact CG-CB 4.45Å; L372-P394 WeakPolarHBondContact O-CA 3.27Å; Y373-P394 HydrophobicContact CD1-CB 4.34Å; Y373-P394 HydrophobicContact CE1-CB 3.92Å; Y373-P394 HydrophobicContact CE1-CG 4.39Å
395L94.6Very high94.8Very high74 Ų7447.4 Ų47.439%0.38726%0.257SS..EExtended strand (participates in β ladder)trans-137.3164.5175.1-73.2-177.6000111.1L372 A374L372-L395 HydrophobicContact CD1-CB 3.7Å; L372-L395 PolarHBondContact N-O 3.33Å; L372-L395 PolarHBondContact O-N 2.65Å; A374-L395 HydrophobicContact CB-CD1 3.52Å; A374-L395 HydrophobicContact CB-CG 4.22Å
396G91.7Very high95Very high42 Ų4239.5 Ų39.543%0.43322%0.223SC..SBendtrans85.9-151.6176.400000114.4K302 E371K302-G396 VanDerWaalsContact NZ-CA 3.33Å; E371-G396 WeakPolarHBondContact OE2-CA 3.39Å
397K91.9Very high95.1Very high38 Ų3836.5 Ų36.517%0.16520%0.204CC..  trans-67.3137-176.9-61.9172.1-174.2167.50110.8D46 E371D46-K397 IonicContact OD2-NZ 2.79Å; E371-K397 HydrophobicContact CB-CB 4.25Å; E371-K397 PolarHBondContact N-O 3.15Å; E371-K397 PolarHBondContact OE2-N 2.96Å
398L92.6Very high95.4Very high81 Ų8133.9 Ų33.942%0.42419%0.188SC..SBendtrans-143.5113.5175.9-175.266.5000111I360 L368 P370I360-L398 HydrophobicContact CB-CD1 4.36Å; I360-L398 HydrophobicContact CD1-CD1 3.83Å; I360-L398 HydrophobicContact CD1-CD2 3.8Å; I360-L398 HydrophobicContact CD1-CG 4.49Å; I360-L398 HydrophobicContact CG2-CD2 4.17Å; L368-L398 HydrophobicContact CB-CD1 3.64Å; L368-L398 HydrophobicContact CB-CG 4.32Å; L368-L398 HydrophobicContact CD1-CD1 4.41Å; L368-L398 HydrophobicContact CD1-CG 4.2Å; P370-L398 HydrophobicContact CB-CD1 4.03Å
399P93.5Very high95.8Very high13 Ų1329.4 Ų29.48%0.08417%0.167CC..SBendcis-65.8149.2-8.429.2-33.4000111.9L368 L401 Q404L368-P399 HydrophobicContact CD2-CB 4.12Å; L368-P399 HydrophobicContact CD2-CG 4.27Å; P399-L401 HydrophobicContact CG-CD2 4.21Å; P399-L401 PolarHBondContact O-N 2.97Å; P399-Q404 HydrophobicContact CB-CB 4.2Å; P399-Q404 HydrophobicContact CB-CG 4.24Å
400H95.3Very high96Very high4 Ų426 Ų262%0.01915%0.146CC..  trans-78.1105.6162.8174.1-139.6000108.6V369 E371 W402 G403 Q404V369-H400 PolarHBondContact O-N 3.26Å; E371-H400 HydrophobicContact CB-CB 4.02Å; H400-W402 VanDerWaalsContact C-N 3.31Å; H400-W402 PolarHBondContact O-N 3.49Å; H400-G403 PolarHBondContact ND1-N 2.89Å; H400-G403 PolarHBondContact O-N 2.94Å; H400-G403 VanDerWaalsContact O-N 3.07Å; H400-Q404 WeakPolarHBondContact O-CB 3.39Å; H400-Q404 PolarHBondContact O-N 3.31Å
401L96.1Very high96Very high10 Ų1026.1 Ų26.15%0.05215%0.147CC..Hα-helixtrans-57-38.8-168-59.2-176.6000114.2T21 Y25 S34 S50 P399 S405T21-L401 WeakPolarHBondContact O-CD2 3.39Å; Y25-L401 HydrophobicContact CD2-CD1 4.22Å; Y25-L401 HydrophobicContact CD2-CD2 3.75Å; Y25-L401 HydrophobicContact CE2-CD2 3.91Å; Y25-L401 HydrophobicContact CG-CD1 4.32Å; S34-L401 WeakPolarHBondContact O-CD1 3.29Å; S50-L401 WeakPolarHBondContact OG-CB 3.5Å; P399-L401 HydrophobicContact CG-CD2 4.21Å; P399-L401 PolarHBondContact O-N 2.97Å; L401-S405 VanDerWaalsContact O-CB 3.26Å; L401-S405 WeakPolarHBondContact O-CB 3.36Å; L401-S405 PolarHBondContact O-N 3.48Å
402W95.8Very high96.1Very high7 Ų721.8 Ų21.83%0.02712%0.124CC..Hα-helixtrans-62-53.5174.1174.15.6000111.3Y49 M183 W184 V330 Y334 H400 Q404 S405 L406Y49-W402 AromaticContact CD1-CD1 3.9Å; Y49-W402 AromaticContact CD1-NE1 3.52Å; Y49-W402 AromaticContact CD2-CD2 3.87Å; Y49-W402 HydrophobicContact CD2-CD2 3.87Å; Y49-W402 AromaticContact CD2-CE2 3.5Å; Y49-W402 VanDerWaalsContact CD2-CE2 3.5Å; Y49-W402 HydrophobicContact CD2-CE3 4.47Å; Y49-W402 HydrophobicContact CD2-CG 4.2Å; Y49-W402 HydrophobicContact CD2-CH2 4.43Å; Y49-W402 AromaticContact CD2-CZ2 3.82Å; Y49-W402 HydrophobicContact CD2-CZ2 3.82Å; Y49-W402 AromaticContact CD2-NE1 3.61Å; Y49-W402 AromaticContact CE1-NE1 3.92Å; Y49-W402 HydrophobicContact CE2-CD2 4.46Å; Y49-W402 AromaticContact CE2-CE2 3.72Å; Y49-W402 HydrophobicContact CE2-CH2 4.17Å; Y49-W402 AromaticContact CE2-CZ2 3.55Å; Y49-W402 HydrophobicContact CE2-CZ2 3.55Å; Y49-W402 AromaticContact CE2-NE1 3.98Å; Y49-W402 AromaticContact CG-CD1 3.52Å; Y49-W402 HydrophobicContact CG-CD2 4.15Å; Y49-W402 AromaticContact CG-CE2 3.78Å; Y49-W402 HydrophobicContact CG-CG 4.01Å; Y49-W402 HydrophobicContact CG-CZ2 4.46Å; Y49-W402 AromaticContact CG-NE1 3.37Å; M183-W402 HydrophobicContact CE-CH2 3.59Å; M183-W402 HydrophobicContact CE-CZ2 4.3Å; W184-W402 HydrophobicContact CH2-CH2 4.46Å; W184-W402 HydrophobicContact CZ3-CZ3 4.36Å; V330-W402 HydrophobicContact CG2-CG 4.41Å; Y334-W402 HydrophobicContact CE2-CZ2 4.07Å; Y334-W402 AromaticContact CE2-NE1 3.97Å; Y334-W402 AromaticContact CZ-NE1 3.97Å; Y334-W402 VanDerWaalsContact OH-CZ2 3.26Å; Y334-W402 WeakPolarHBondContact OH-CZ2 3.27Å; Y334-W402 PolarHBondContact OH-NE1 3.42Å; H400-W402 VanDerWaalsContact C-N 3.31Å; H400-W402 PolarHBondContact O-N 3.49Å; W402-Q404 VanDerWaalsContact C-N 3.34Å; W402-Q404 PolarHBondContact O-N 3.03Å; W402-S405 PolarHBondContact O-N 3.05Å; W402-L406 PolarHBondContact O-N 3.31Å; W402-L406 VanDerWaalsContact O-N 3.1Å
403G96.8Very high96.1Very high0 Ų021.5 Ų21.50%012%0.124CC..Hα-helixtrans-61.3-41.5177.900000113H400 S405 L406 Y407H400-G403 PolarHBondContact ND1-N 2.89Å; H400-G403 PolarHBondContact O-N 2.94Å; H400-G403 VanDerWaalsContact O-N 3.07Å; G403-S405 VanDerWaalsContact C-N 3.34Å; G403-S405 PolarHBondContact O-N 3.22Å; G403-L406 PolarHBondContact O-N 3.16Å; G403-Y407 WeakPolarHBondContact O-CB 3.33Å; G403-Y407 PolarHBondContact O-N 3.3Å
404Q97.7Very high96Very high0 Ų019.7 Ų19.70%012%0.119CC..Hα-helixtrans-61.7-42.8177-169.968.832.700111.6H367 P399 H400 W402 Y407 I408H367-Q404 PolarHBondContact O-NE2 3.27Å; P399-Q404 HydrophobicContact CB-CB 4.2Å; P399-Q404 HydrophobicContact CB-CG 4.24Å; H400-Q404 WeakPolarHBondContact O-CB 3.39Å; H400-Q404 PolarHBondContact O-N 3.31Å; W402-Q404 VanDerWaalsContact C-N 3.34Å; W402-Q404 PolarHBondContact O-N 3.03Å; Q404-Y407 PolarHBondContact O-N 2.97Å; Q404-I408 HydrophobicContact CG-CD1 4.2Å; Q404-I408 VanDerWaalsContact O-CG1 3.29Å; Q404-I408 WeakPolarHBondContact O-CG1 3.48Å; Q404-I408 PolarHBondContact O-N 3.3Å
405S98.3Very high95.8Very high0 Ų019.7 Ų19.70%011%0.114CC..Hα-helixtrans-63.4-47.7178.2175.70000111.8Y49 S50 A53 L401 W402 G403 Y407 I408 L409Y49-S405 WeakPolarHBondContact O-CB 3.4Å; Y49-S405 PolarHBondContact O-OG 2.98Å; S50-S405 WeakPolarHBondContact O-CB 3.23Å; S50-S405 PolarHBondContact O-OG 3.18Å; A53-S405 WeakPolarHBondContact CB-OG 3.41Å; A53-S405 PolarHBondContact N-OG 2.9Å; L401-S405 VanDerWaalsContact O-CB 3.26Å; L401-S405 WeakPolarHBondContact O-CB 3.36Å; L401-S405 PolarHBondContact O-N 3.48Å; W402-S405 PolarHBondContact O-N 3.05Å; G403-S405 VanDerWaalsContact C-N 3.34Å; G403-S405 PolarHBondContact O-N 3.22Å; S405-Y407 VanDerWaalsContact C-N 3.33Å; S405-Y407 PolarHBondContact O-N 3.44Å; S405-I408 PolarHBondContact O-N 3.27Å; S405-L409 WeakPolarHBondContact O-CB 3.39Å; S405-L409 PolarHBondContact O-N 2.7Å
406L97.9Very high95.8Very high0 Ų018.6 Ų18.60%012%0.121CC..Hα-helixtrans-67.3-32.4178-66.1-176.2000112.8L52 F265 V330 T333 Y334 I337 W402 G403 L409 S410L52-L406 HydrophobicContact CD1-CD2 4.35Å; F265-L406 HydrophobicContact CE1-CD2 4.28Å; V330-L406 HydrophobicContact CG2-CD1 4.06Å; T333-L406 HydrophobicContact CG2-CB 4.49Å; T333-L406 VanDerWaalsContact OG1-CB 3.24Å; T333-L406 WeakPolarHBondContact OG1-CB 3.32Å; Y334-L406 HydrophobicContact CD2-CD1 4.1Å; Y334-L406 HydrophobicContact CE1-CD1 4.16Å; Y334-L406 HydrophobicContact CE2-CD1 3.62Å; I337-L406 HydrophobicContact CD1-CB 4.38Å; I337-L406 HydrophobicContact CD1-CD2 4.06Å; W402-L406 PolarHBondContact O-N 3.31Å; W402-L406 VanDerWaalsContact O-N 3.1Å; G403-L406 PolarHBondContact O-N 3.16Å; L406-L409 HydrophobicContact CD2-CD2 4.45Å; L406-S410 VanDerWaalsContact O-CB 3.22Å; L406-S410 WeakPolarHBondContact O-CB 3.06Å; L406-S410 PolarHBondContact O-N 3.48Å; L406-S410 PolarHBondContact O-OG 3.4Å
407Y98Very high96Very high30 Ų3017.4 Ų17.412%0.11810%0.104CC..Hα-helixtrans-61.8-46.1170.5168.6-107.2000112.2L355 L359 H367 V369 G403 Q404 S405 S410 S411L355-Y407 HydrophobicContact CD2-CD2 3.65Å; L355-Y407 HydrophobicContact CD2-CE2 4.26Å; L359-Y407 HydrophobicContact CD1-CD2 4.45Å; L359-Y407 HydrophobicContact CD1-CE2 3.68Å; H367-Y407 HydrophobicContact CB-CE1 4.42Å; V369-Y407 HydrophobicContact CG2-CD1 4.28Å; V369-Y407 HydrophobicContact CG2-CG 4Å; G403-Y407 WeakPolarHBondContact O-CB 3.33Å; G403-Y407 PolarHBondContact O-N 3.3Å; Q404-Y407 PolarHBondContact O-N 2.97Å; S405-Y407 VanDerWaalsContact C-N 3.33Å; S405-Y407 PolarHBondContact O-N 3.44Å; Y407-S410 WeakPolarHBondContact CA-OG 3.48Å; Y407-S410 PolarHBondContact O-OG 3.42Å; Y407-S411 WeakPolarHBondContact O-CB 3.19Å; Y407-S411 PolarHBondContact O-N 3.48Å; Y407-S411 PolarHBondContact O-OG 3.05Å
408I98.1Very high96.1Very high0 Ų015.9 Ų15.90%010%0.098CC..Hα-helixtrans-65.1-46.2177.7-66.2167.3000110.3Y14 L17 V18 I22 A53 Q404 S405 S411 L412Y14-I408 HydrophobicContact CD1-CG2 4.03Å; L17-I408 HydrophobicContact CD2-CD1 3.93Å; L17-I408 HydrophobicContact CD2-CG1 3.67Å; L17-I408 HydrophobicContact CG-CD1 3.83Å; L17-I408 HydrophobicContact CG-CG1 4.16Å; V18-I408 HydrophobicContact CG2-CD1 3.94Å; V18-I408 HydrophobicContact CG2-CG2 4.15Å; I22-I408 HydrophobicContact CD1-CD1 4Å; A53-I408 HydrophobicContact CB-CB 3.92Å; A53-I408 HydrophobicContact CB-CD1 4.38Å; A53-I408 HydrophobicContact CB-CG2 3.93Å; Q404-I408 HydrophobicContact CG-CD1 4.2Å; Q404-I408 VanDerWaalsContact O-CG1 3.29Å; Q404-I408 WeakPolarHBondContact O-CG1 3.48Å; Q404-I408 PolarHBondContact O-N 3.3Å; S405-I408 PolarHBondContact O-N 3.27Å; I408-S411 WeakPolarHBondContact O-CB 3.42Å; I408-S411 PolarHBondContact O-N 2.79Å; I408-L412 HydrophobicContact CG2-CD1 4.2Å; I408-L412 WeakPolarHBondContact O-CG 3.46Å; I408-L412 PolarHBondContact O-N 2.99Å
409L97.9Very high96.2Very high0 Ų014 Ų140%09%0.094CC..Hα-helixtrans-62.7-46.9-179.5-174.668.5000112L52 F265 S405 L406 S411 L412 L413 L418 I423L52-L409 HydrophobicContact CB-CD2 4.3Å; F265-L409 HydrophobicContact CE1-CD2 4.11Å; F265-L409 HydrophobicContact CZ-CD2 4.06Å; S405-L409 WeakPolarHBondContact O-CB 3.39Å; S405-L409 PolarHBondContact O-N 2.7Å; L406-L409 HydrophobicContact CD2-CD2 4.45Å; L409-S411 VanDerWaalsContact C-N 3.27Å; L409-S411 PolarHBondContact O-N 2.8Å; L409-L412 PolarHBondContact O-N 2.81Å; L409-L413 HydrophobicContact CG-CD1 4.44Å; L409-L413 WeakPolarHBondContact O-CG 3.31Å; L409-L413 PolarHBondContact O-N 3.08Å; L409-L418 HydrophobicContact CD1-CD1 3.91Å; L409-I423 HydrophobicContact CD1-CG2 3.98Å; L409-I423 HydrophobicContact CD2-CD1 4.2Å
410S97.1Very high96.3Very high3 Ų315.1 Ų15.12%0.02110%0.101CC..Hα-helixtrans-61.4-35.6175.459.80000112.4L406 Y407 L413 A414L406-S410 VanDerWaalsContact O-CB 3.22Å; L406-S410 WeakPolarHBondContact O-CB 3.06Å; L406-S410 PolarHBondContact O-N 3.48Å; L406-S410 PolarHBondContact O-OG 3.4Å; Y407-S410 WeakPolarHBondContact CA-OG 3.48Å; Y407-S410 PolarHBondContact O-OG 3.42Å; S410-L413 PolarHBondContact O-N 3.09Å; S410-A414 VanDerWaalsContact O-CB 3.25Å; S410-A414 WeakPolarHBondContact O-CB 3.38Å; S410-A414 PolarHBondContact O-N 3.36Å
411S96.9Very high96.2Very high8 Ų816.3 Ų16.36%0.05611%0.114CC..Hα-helixtrans-67.3-43.7175-58.80000112.2Y14 Y407 I408 L409 L413 A414 E415Y14-S411 VanDerWaalsContact OH-CB 3.32Å; Y14-S411 WeakPolarHBondContact OH-CB 3.48Å; Y407-S411 WeakPolarHBondContact O-CB 3.19Å; Y407-S411 PolarHBondContact O-N 3.48Å; Y407-S411 PolarHBondContact O-OG 3.05Å; I408-S411 WeakPolarHBondContact O-CB 3.42Å; I408-S411 PolarHBondContact O-N 2.79Å; L409-S411 VanDerWaalsContact C-N 3.27Å; L409-S411 PolarHBondContact O-N 2.8Å; S411-L413 VanDerWaalsContact C-N 3.29Å; S411-L413 PolarHBondContact O-N 3.08Å; S411-A414 PolarHBondContact O-N 3.19Å; S411-E415 WeakPolarHBondContact O-CB 3.14Å; S411-E415 VanDerWaalsContact O-CG 3.29Å; S411-E415 WeakPolarHBondContact O-CG 3.48Å; S411-E415 PolarHBondContact O-N 2.94Å
412L97.3Very high96.2Very high0 Ų017.9 Ų17.90%012%0.122CC..Hα-helixtrans-60.3-39.4175.3-71.5170.3000112.1L11 Y14 L57 I408 L409 G416 F417 L418L11-L412 HydrophobicContact CD2-CD2 4.13Å; Y14-L412 HydrophobicContact CD1-CD2 4.37Å; Y14-L412 HydrophobicContact CD2-CD2 3.58Å; Y14-L412 HydrophobicContact CE2-CD2 3.81Å; Y14-L412 HydrophobicContact CG-CD2 3.88Å; L57-L412 HydrophobicContact CB-CD1 4.19Å; L57-L412 HydrophobicContact CD1-CD1 4.41Å; L57-L412 HydrophobicContact CD1-CD2 4.29Å; I408-L412 HydrophobicContact CG2-CD1 4.2Å; I408-L412 WeakPolarHBondContact O-CG 3.46Å; I408-L412 PolarHBondContact O-N 2.99Å; L409-L412 PolarHBondContact O-N 2.81Å; L412-G416 PolarHBondContact O-N 2.73Å; L412-F417 HydrophobicContact CD2-CB 4.16Å; L412-F417 HydrophobicContact CD2-CD2 4.2Å; L412-F417 HydrophobicContact CD2-CG 4.44Å; L412-F417 WeakPolarHBondContact O-CB 3.45Å; L412-F417 PolarHBondContact O-N 3.3Å; L412-L418 HydrophobicContact CB-CD1 3.83Å; L412-L418 HydrophobicContact CB-CG 4.24Å; L412-L418 HydrophobicContact CD1-CD1 4.15Å; L412-L418 PolarHBondContact O-N 3.05Å
413L96.6Very high96.1Very high9 Ų917.6 Ų17.65%0.04712%0.12CC..Hα-helixtrans-68.2-50.1175.4-71.1165000111.9I340 L409 S410 S411 E415 G416 L418 I423I340-L413 HydrophobicContact CD1-CB 3.65Å; I340-L413 HydrophobicContact CD1-CD1 4.34Å; I340-L413 HydrophobicContact CG2-CB 4.25Å; L409-L413 HydrophobicContact CG-CD1 4.44Å; L409-L413 WeakPolarHBondContact O-CG 3.31Å; L409-L413 PolarHBondContact O-N 3.08Å; S410-L413 PolarHBondContact O-N 3.09Å; S411-L413 VanDerWaalsContact C-N 3.29Å; S411-L413 PolarHBondContact O-N 3.08Å; L413-E415 PolarHBondContact O-N 3.29Å; L413-G416 PolarHBondContact O-N 3.23Å; L413-L418 HydrophobicContact CD2-CB 3.71Å; L413-L418 HydrophobicContact CG-CB 4.28Å; L413-I423 HydrophobicContact CD1-CD1 3.64Å; L413-I423 HydrophobicContact CD2-CD1 3.97Å; L413-I423 HydrophobicContact CD2-CG1 4.34Å; L413-I423 HydrophobicContact CG-CD1 4.28Å
414A95.1Very high96.1Very high35 Ų3517.7 Ų17.729%0.28912%0.121SC..Hα-helixtrans-66.9-25.7-175.800000112.9I340 R352 S410 S411 G416I340-A414 HydrophobicContact CD1-CB 4Å; R352-A414 VanDerWaalsContact NH1-CB 3.26Å; S410-A414 VanDerWaalsContact O-CB 3.25Å; S410-A414 WeakPolarHBondContact O-CB 3.38Å; S410-A414 PolarHBondContact O-N 3.36Å; S411-A414 PolarHBondContact O-N 3.19Å; A414-G416 VanDerWaalsContact C-N 3.34Å
415E93.8Very high96Very high59 Ų5919.4 Ų19.428%0.27613%0.132SC..THydrogen-bonded Turntrans-86.9-2173.9-66-175.7-18000113.6R10 Y14 S411 L413 F417R10-E415 IonicContact CZ-OE1 3.16Å; R10-E415 IonicContact CZ-OE2 3.39Å; R10-E415 IonicContact NE-OE2 2.79Å; R10-E415 PolarHBondContact NE-OE2 3.11Å; R10-E415 IonicContact NH2-OE1 2.95Å; R10-E415 PolarHBondContact NH2-OE1 2.98Å; R10-E415 IonicContact NH2-OE2 3.76Å; R10-E415 PolarHBondContact NH2-OE2 3.35Å; Y14-E415 PolarHBondContact OH-OE1 3.29Å; Y14-E415 VanDerWaalsContact OH-OE1 3.05Å; Y14-E415 PolarHBondContact OH-OE2 3.44Å; S411-E415 WeakPolarHBondContact O-CB 3.14Å; S411-E415 VanDerWaalsContact O-CG 3.29Å; S411-E415 WeakPolarHBondContact O-CG 3.48Å; S411-E415 PolarHBondContact O-N 2.94Å; L413-E415 PolarHBondContact O-N 3.29Å; E415-F417 VanDerWaalsContact C-N 3.31Å; E415-F417 HydrophobicContact CB-CD2 3.8Å; E415-F417 HydrophobicContact CB-CE2 3.97Å; E415-F417 PolarHBondContact O-N 3.26Å; E415-F417 WeakPolarHBondContact OE2-CE2 3.39Å
416G93.3Very high95.8Very high52 Ų5222 Ų2254%0.53615%0.146SC..THydrogen-bonded Turntrans77.610.1176.800000115L412 L413 A414 L418L412-G416 PolarHBondContact O-N 2.73Å; L413-G416 PolarHBondContact O-N 3.23Å; A414-G416 VanDerWaalsContact C-N 3.34Å; G416-L418 VanDerWaalsContact C-N 3.26Å
417F95.3Very high95.7Very high17 Ų1725.7 Ų25.78%0.07517%0.165CC..SBendtrans-66.8-33.8171.6-71.4-65.8000111.5R10 L11 Y14 A60 K63 L412 E415R10-F417 HydrophobicContact CB-CE2 4.18Å; R10-F417 HydrophobicContact CB-CZ 3.73Å; R10-F417 HydrophobicContact CG-CZ 4.48Å; L11-F417 HydrophobicContact CD1-CD1 4.41Å; L11-F417 HydrophobicContact CD2-CB 4.42Å; L11-F417 HydrophobicContact CD2-CD1 3.87Å; L11-F417 HydrophobicContact CD2-CD2 4.47Å; L11-F417 HydrophobicContact CD2-CE1 4.24Å; L11-F417 HydrophobicContact CD2-CG 4.01Å; L11-F417 HydrophobicContact CG-CD1 4.12Å; L11-F417 HydrophobicContact CG-CE1 4.07Å; Y14-F417 HydrophobicContact CE2-CD2 4.36Å; Y14-F417 HydrophobicContact CE2-CE2 4.23Å; A60-F417 HydrophobicContact CB-CB 4.24Å; K63-F417 WeakPolarHBondContact CD-O 3.22Å; L412-F417 HydrophobicContact CD2-CB 4.16Å; L412-F417 HydrophobicContact CD2-CD2 4.2Å; L412-F417 HydrophobicContact CD2-CG 4.44Å; L412-F417 WeakPolarHBondContact O-CB 3.45Å; L412-F417 PolarHBondContact O-N 3.3Å; E415-F417 VanDerWaalsContact C-N 3.31Å; E415-F417 HydrophobicContact CB-CD2 3.8Å; E415-F417 HydrophobicContact CB-CE2 3.97Å; E415-F417 PolarHBondContact O-N 3.26Å; E415-F417 WeakPolarHBondContact OE2-CE2 3.39Å
418L95.6Very high95.4Very high5 Ų525.1 Ų25.13%0.02616%0.163CC..SBendtrans-118.4143.8173.6-68.1172.5000111G56 M59 A60 L409 L412 L413 G416 E422 I423G56-L418 WeakPolarHBondContact O-CD1 3.4Å; M59-L418 HydrophobicContact CB-CD2 3.91Å; A60-L418 HydrophobicContact CB-CD2 3.98Å; A60-L418 HydrophobicContact CB-CG 4.14Å; L409-L418 HydrophobicContact CD1-CD1 3.91Å; L412-L418 HydrophobicContact CB-CD1 3.83Å; L412-L418 HydrophobicContact CB-CG 4.24Å; L412-L418 HydrophobicContact CD1-CD1 4.15Å; L412-L418 PolarHBondContact O-N 3.05Å; L413-L418 HydrophobicContact CD2-CB 3.71Å; L413-L418 HydrophobicContact CG-CB 4.28Å; G416-L418 VanDerWaalsContact C-N 3.26Å; L418-E422 WeakPolarHBondContact CA-OE2 3.42Å; L418-E422 HydrophobicContact CD2-CB 4.28Å; L418-I423 HydrophobicContact CD1-CG2 4.14Å
419A94.7Very high95.2Very high42 Ų4227.7 Ų27.735%0.34717%0.173SC..  trans-96.9152.5164.800000110G421 E422A419-G421 PolarHBondContact O-N 3.22Å; A419-G421 VanDerWaalsContact O-N 3.14Å; A419-E422 HydrophobicContact CB-CG 4.45Å; A419-E422 PolarHBondContact N-OE2 3.44Å; A419-E422 WeakPolarHBondContact O-CB 3.22Å; A419-E422 PolarHBondContact O-N 2.98Å
420P94.7Very high94.9Very high37 Ų3732.9 Ų32.924%0.2420%0.195CC..Hα-helixtrans-52.7-38.3179.2-29.836.2000114.4I340 F341 E422 I423 D424I340-P420 HydrophobicContact CG2-CG 4.18Å; F341-P420 HydrophobicContact CD1-CB 3.83Å; F341-P420 HydrophobicContact CE1-CB 3.6Å; F341-P420 HydrophobicContact CE2-CB 4.46Å; F341-P420 HydrophobicContact CG-CB 4.37Å; F341-P420 HydrophobicContact CZ-CB 3.94Å; P420-E422 PolarHBondContact O-N 3.26Å; P420-I423 WeakPolarHBondContact O-CG1 3.16Å; P420-I423 PolarHBondContact O-N 3.35Å; P420-D424 PolarHBondContact O-N 3.38Å; P420-D424 VanDerWaalsContact O-N 3.13Å
421G94.5Very high94.4Very high28 Ų2833.6 Ų33.629%0.28920%0.201SC..Hα-helixtrans-68.8-13.4178.700000115.2A419 D424 P425A419-G421 PolarHBondContact O-N 3.22Å; A419-G421 VanDerWaalsContact O-N 3.14Å; G421-D424 CarbonylContact O-C 3.46Å; G421-P425 WeakPolarHBondContact O-CA 3.45Å
422E94.2Very high93.9Very high44 Ų4436 Ų3621%0.20622%0.215CC..Hα-helixtrans-77.4-34.9175.1-68.1177.3122.400111M59 K63 L418 A419 P420M59-E422 HydrophobicContact CE-CB 3.87Å; M59-E422 WeakPolarHBondContact CE-O 3.44Å; K63-E422 VanDerWaalsContact CD-OE1 3.24Å; K63-E422 WeakPolarHBondContact CD-OE1 3.41Å; K63-E422 WeakPolarHBondContact CE-OE1 3.45Å; K63-E422 IonicContact NZ-OE1 2.74Å; K63-E422 IonicContact NZ-OE2 3.7Å; K63-E422 PolarHBondContact NZ-OE2 2.72Å; L418-E422 WeakPolarHBondContact CA-OE2 3.42Å; L418-E422 HydrophobicContact CD2-CB 4.28Å; A419-E422 HydrophobicContact CB-CG 4.45Å; A419-E422 PolarHBondContact N-OE2 3.44Å; A419-E422 WeakPolarHBondContact O-CB 3.22Å; A419-E422 PolarHBondContact O-N 2.98Å; P420-E422 PolarHBondContact O-N 3.26Å
423I94.8Very high93.3Very high1 Ų138.9 Ų38.91%0.00524%0.235CC..Hα-helixtrans-95.8-2.9177.162.2164.9000113.7W55 F265 F341 L409 L413 L418 P420 P425W55-I423 HydrophobicContact CH2-CB 4.31Å; W55-I423 WeakPolarHBondContact CH2-O 3.4Å; W55-I423 HydrophobicContact CZ3-CB 4.05Å; W55-I423 HydrophobicContact CZ3-CG2 4.32Å; F265-I423 HydrophobicContact CD2-CD1 4.22Å; F265-I423 HydrophobicContact CE2-CD1 3.75Å; F265-I423 HydrophobicContact CE2-CG1 4.24Å; F265-I423 HydrophobicContact CZ-CD1 4.14Å; F341-I423 HydrophobicContact CE2-CD1 3.99Å; F341-I423 HydrophobicContact CZ-CD1 3.96Å; F341-I423 HydrophobicContact CZ-CG1 4.08Å; L409-I423 HydrophobicContact CD1-CG2 3.98Å; L409-I423 HydrophobicContact CD2-CD1 4.2Å; L413-I423 HydrophobicContact CD1-CD1 3.64Å; L413-I423 HydrophobicContact CD2-CD1 3.97Å; L413-I423 HydrophobicContact CD2-CG1 4.34Å; L413-I423 HydrophobicContact CG-CD1 4.28Å; L418-I423 HydrophobicContact CD1-CG2 4.14Å; P420-I423 WeakPolarHBondContact O-CG1 3.16Å; P420-I423 PolarHBondContact O-N 3.35Å; I423-P425 VanDerWaalsContact C-CD 3.48Å
424D96.3Very high92.4Very high1 Ų145.4 Ų45.41%0.00528%0.275CS..  trans-134.763.4171.7175.540.1000110.2Q147 F341 P420 G421 L426 N427 R428 R429Q147-D424 PolarHBondContact NE2-OD1 3.08Å; F341-D424 HydrophobicContact CE1-CB 4.25Å; F341-D424 HydrophobicContact CZ-CB 4.42Å; P420-D424 PolarHBondContact O-N 3.38Å; P420-D424 VanDerWaalsContact O-N 3.13Å; G421-D424 CarbonylContact O-C 3.46Å; D424-L426 PolarHBondContact O-N 2.76Å; D424-N427 PolarHBondContact O-N 3.05Å; D424-N427 PolarHBondContact OD1-N 3.39Å; D424-N427 VanDerWaalsContact OD2-C 3.31Å; D424-N427 WeakPolarHBondContact OD2-CA 3.33Å; D424-R428 VanDerWaalsContact CG-N 3.34Å; D424-R428 WeakPolarHBondContact OD1-CB 3.37Å; D424-R428 PolarHBondContact OD1-N 3.22Å; D424-R428 PolarHBondContact OD2-N 3.5Å; D424-R429 PolarHBondContact O-NH1 3.05Å; D424-R429 VanDerWaalsContact O-NH1 3.11Å; D424-R429 WeakPolarHBondContact OD2-CB 3.49Å; D424-R429 WeakPolarHBondContact OD2-CG 3.21Å; D424-R429 IonicContact OD2-CZ 3.58Å; D424-R429 PolarHBondContact OD2-N 3.21Å; D424-R429 IonicContact OD2-NH1 2.78Å; D424-R429 PolarHBondContact OD2-NH1 2.81Å
425P95.4Very high91.4Very high36 Ų3647.5 Ų47.523%0.23428%0.277CS..THydrogen-bonded Turntrans-62.3-24.818024-35.4000113.6Q147 A150 G421 I423 N427Q147-P425 HydrophobicContact CB-CG 4.49Å; Q147-P425 VanDerWaalsContact O-CG 3.26Å; Q147-P425 WeakPolarHBondContact O-CG 3.28Å; Q147-P425 VanDerWaalsContact OE1-CG 3.31Å; A150-P425 HydrophobicContact CB-CB 4.17Å; A150-P425 HydrophobicContact CB-CG 4Å; G421-P425 WeakPolarHBondContact O-CA 3.45Å; I423-P425 VanDerWaalsContact C-CD 3.48Å; P425-N427 PolarHBondContact O-N 3.13Å; P425-N427 PolarHBondContact O-ND2 3.27Å
426L95.2Very high90.6Very high56 Ų5650.1 Ų50.129%0.29330%0.3SS..THydrogen-bonded Turntrans-81.71.2175.2-62.9173.6000113.4A146 Q147 A150 A211 D424 R428A146-L426 HydrophobicContact CB-CD1 3.8Å; Q147-L426 HydrophobicContact CG-CD1 4.31Å; Q147-L426 VanDerWaalsContact OE1-N 3.13Å; A150-L426 HydrophobicContact CB-CD2 3.66Å; A150-L426 HydrophobicContact CB-CG 3.9Å; A211-L426 HydrophobicContact CB-CD1 3.85Å; A211-L426 WeakPolarHBondContact O-CD1 3.33Å; D424-L426 PolarHBondContact O-N 2.76Å; L426-R428 VanDerWaalsContact C-N 3.28Å; L426-R428 HydrophobicContact CB-CG 4.37Å; L426-R428 PolarHBondContact O-N 3.48Å
427N94.4Very high90.1Very high76 Ų7652.9 Ų52.941%0.40630%0.302SS..  trans57.833.9173.4-59.7-64.2000115.1D424 P425 R429 F430D424-N427 PolarHBondContact O-N 3.05Å; D424-N427 PolarHBondContact OD1-N 3.39Å; D424-N427 VanDerWaalsContact OD2-C 3.31Å; D424-N427 WeakPolarHBondContact OD2-CA 3.33Å; P425-N427 PolarHBondContact O-N 3.13Å; P425-N427 PolarHBondContact O-ND2 3.27Å; N427-R429 PolarHBondContact O-N 3.36Å; N427-R429 VanDerWaalsContact OD1-CZ 3.27Å; N427-R429 PolarHBondContact OD1-NH1 3.23Å; N427-R429 PolarHBondContact OD1-NH2 3.34Å; N427-F430 HydrophobicContact CB-CD2 3.81Å; N427-F430 HydrophobicContact CB-CE2 4.11Å; N427-F430 PolarHBondContact O-N 2.83Å
428R93.1Very high90Very high19 Ų1953.4 Ų53.47%0.07231%0.306CS..G310 helixtrans-62.1-27.4179.5-64-17158.764.820.2112.8A207 E210 A267 F268 D424 L426 F430 S431A207-R428 VanDerWaalsContact CA-CZ 3.44Å; A207-R428 VanDerWaalsContact CB-NH2 3.28Å; A207-R428 PolarHBondContact O-NH1 2.94Å; E210-R428 IonicContact OE2-CZ 2.57Å; E210-R428 IonicContact OE2-NH1 3.75Å; E210-R428 PolarHBondContact OE2-NH1 3.11Å; E210-R428 IonicContact OE2-NH2 2.67Å; E210-R428 PolarHBondContact OE2-NH2 2.85Å; A267-R428 VanDerWaalsContact O-CZ 3.23Å; A267-R428 PolarHBondContact O-NE 3.16Å; A267-R428 PolarHBondContact O-NH2 3.3Å; F268-R428 HydrophobicContact CB-CB 4.22Å; F268-R428 WeakPolarHBondContact CB-O 3.33Å; F268-R428 HydrophobicContact CD2-CB 3.96Å; D424-R428 VanDerWaalsContact CG-N 3.34Å; D424-R428 WeakPolarHBondContact OD1-CB 3.37Å; D424-R428 PolarHBondContact OD1-N 3.22Å; D424-R428 PolarHBondContact OD2-N 3.5Å; L426-R428 VanDerWaalsContact C-N 3.28Å; L426-R428 HydrophobicContact CB-CG 4.37Å; L426-R428 PolarHBondContact O-N 3.48Å; R428-F430 PolarHBondContact O-N 2.83Å; R428-S431 WeakPolarHBondContact O-CB 3.33Å; R428-S431 PolarHBondContact O-N 2.77Å; R428-S431 PolarHBondContact O-OG 2.97Å
429R92.9Very high90Very high53 Ų5354.6 Ų54.620%0.231%0.314CS..G310 helixtrans-54.3-19.5175.871.4-172.4174-77.5-3114.5F268 F341 D424 N427 S431F268-R429 HydrophobicContact CD1-CB 4.24Å; F268-R429 HydrophobicContact CD2-CB 4.38Å; F268-R429 HydrophobicContact CE1-CB 3.97Å; F268-R429 HydrophobicContact CE2-CB 4.12Å; F268-R429 HydrophobicContact CG-CB 4.43Å; F268-R429 HydrophobicContact CZ-CB 3.91Å; F341-R429 HydrophobicContact CD1-CB 3.74Å; F341-R429 HydrophobicContact CD1-CG 4.34Å; F341-R429 HydrophobicContact CE1-CB 3.96Å; F341-R429 HydrophobicContact CE1-CG 4.46Å; D424-R429 PolarHBondContact O-NH1 3.05Å; D424-R429 VanDerWaalsContact O-NH1 3.11Å; D424-R429 WeakPolarHBondContact OD2-CB 3.49Å; D424-R429 WeakPolarHBondContact OD2-CG 3.21Å; D424-R429 IonicContact OD2-CZ 3.58Å; D424-R429 PolarHBondContact OD2-N 3.21Å; D424-R429 IonicContact OD2-NH1 2.78Å; D424-R429 PolarHBondContact OD2-NH1 2.81Å; N427-R429 PolarHBondContact O-N 3.36Å; N427-R429 VanDerWaalsContact OD1-CZ 3.27Å; N427-R429 PolarHBondContact OD1-NH1 3.23Å; N427-R429 PolarHBondContact OD1-NH2 3.34Å; R429-S431 VanDerWaalsContact C-N 3.32Å
430F91.8Very high90.1Very high109 Ų10952.6 Ų52.648%0.47830%0.297SS..G310 helixtrans-89.810.6178.1-59.7-50.7000113.8N427 R428 T432 S433N427-F430 HydrophobicContact CB-CD2 3.81Å; N427-F430 HydrophobicContact CB-CE2 4.11Å; N427-F430 PolarHBondContact O-N 2.83Å; R428-F430 PolarHBondContact O-N 2.83Å; F430-T432 PolarHBondContact O-N 3.36Å; F430-T432 VanDerWaalsContact O-N 3.15Å; F430-S433 WeakPolarHBondContact CB-OG 3.35Å; F430-S433 WeakPolarHBondContact O-CB 3.41Å; F430-S433 PolarHBondContact O-N 3.38Å; F430-S433 PolarHBondContact O-OG 2.88Å; F430-S433 VanDerWaalsContact O-OG 3.12Å
431S86.5Confident90.2Very high19 Ų1950.8 Ų50.813%0.13329%0.286CS..THydrogen-bonded Turntrans-56.5-30.1178.859.70000114F268 R428 R429F268-S431 VanDerWaalsContact O-CB 3.31Å; F268-S431 WeakPolarHBondContact O-CB 3.38Å; F268-S431 PolarHBondContact O-OG 3.04Å; R428-S431 WeakPolarHBondContact O-CB 3.33Å; R428-S431 PolarHBondContact O-N 2.77Å; R428-S431 PolarHBondContact O-OG 2.97Å; R429-S431 VanDerWaalsContact C-N 3.32Å
432T86.1Confident90.3Very high59 Ų5949.5 Ų49.536%0.36227%0.272SS..THydrogen-bonded Turntrans-87.8-1.7176.457.20000114.2V270 E271 V276 F430V270-T432 WeakPolarHBondContact O-CG2 3.25Å; E271-T432 WeakPolarHBondContact O-CA 3.27Å; V276-T432 HydrophobicContact CG2-CG2 4.41Å; F430-T432 PolarHBondContact O-N 3.36Å; F430-T432 VanDerWaalsContact O-N 3.15Å
433S85.1Confident90.5Very high59 Ų5947.4 Ų47.441%0.41326%0.263SS..SBendtrans-66.2145.8178.8-62.70000110.9F430 K435F430-S433 WeakPolarHBondContact CB-OG 3.35Å; F430-S433 WeakPolarHBondContact O-CB 3.41Å; F430-S433 PolarHBondContact O-N 3.38Å; F430-S433 PolarHBondContact O-OG 2.88Å; F430-S433 VanDerWaalsContact O-OG 3.12Å; S433-K435 WeakPolarHBondContact O-CG 3.4Å; S433-K435 PolarHBondContact O-N 2.55Å
434V77.6Confident90.6Very high147 Ų14747.8 Ų47.889%0.89127%0.265SS*.PPolyproline II helixtrans-59.4122178.7-178.80000109.5
435K73.6Confident90.6Very high78 Ų7847.8 Ų47.834%0.33927%0.265SS..PPolyproline II helixtrans-88.8145.4179.8-60.4-177.4-177.3168.20109.7E271 S433E271-K435 IonicContact OE1-NZ 2.83Å; E271-K435 PolarHBondContact OE1-NZ 2.68Å; E271-K435 IonicContact OE2-NZ 3.87Å; E271-K435 PolarHBondContact OE2-NZ 2.7Å; S433-K435 WeakPolarHBondContact O-CG 3.4Å; S433-K435 PolarHBondContact O-N 2.55Å
436P78.4Confident90.7Very high114 Ų11446.1 Ų46.174%0.7425%0.254SS*.PPolyproline II helixtrans-66.5152.9177.229.2-34.4000110.7V438P436-V438 PolarHBondContact O-N 3.38Å
437D82.9Confident90.6Very high111 Ų11147 Ų4759%0.59426%0.257SS*.PPolyproline II helixtrans-57.9123.1174.5-75.3-28.2000110.7R598D437-R598 IonicContact OD2-CZ 3.92Å; D437-R598 IonicContact OD2-NH1 3.24Å; D437-R598 PolarHBondContact OD2-NH1 2.91Å; D437-R598 IonicContact OD2-NH2 3.21Å; D437-R598 PolarHBondContact OD2-NH2 3.08Å
438V92Very high90.6Very high27 Ų2746.1 Ų46.116%0.16425%0.252CS..PPolyproline II helixtrans-78.4130176.7179.10000109.2P436 V440 W554 P560P436-V438 PolarHBondContact O-N 3.38Å; V438-V440 HydrophobicContact CG1-CG2 4.44Å; V438-W554 HydrophobicContact CG1-CB 4.08Å; V438-W554 HydrophobicContact CG1-CG 4.47Å; V438-W554 HydrophobicContact CG2-CB 4.31Å; V438-P560 HydrophobicContact CG1-CG 3.73Å
439V94.9Very high90.7Very high30 Ų3049 Ų4918%0.18228%0.275CS..EExtended strand (participates in β ladder)trans-110.7115.7169.61800000107.8R598 K600V439-R598 HydrophobicContact CG2-CB 4.34Å; V439-K600 HydrophobicContact CG1-CB 3.94Å
440V96.9Very high90.8Very high0 Ų050.3 Ų50.30%028%0.283CS..EExtended strand (participates in β ladder)trans-80.3124.1179.3-171.50000109.7V438 V442 L547 L550 C551 P560 R598 V599 K600V438-V440 HydrophobicContact CG1-CG2 4.44Å; V440-V442 HydrophobicContact CG1-CG2 4.44Å; V440-L547 HydrophobicContact CB-CD2 4.23Å; V440-L547 HydrophobicContact CG1-CD2 3.54Å; V440-L550 HydrophobicContact CG1-CB 4.37Å; V440-L550 HydrophobicContact CG1-CD1 3.75Å; V440-L550 HydrophobicContact CG2-CB 3.9Å; V440-C551 HydrophobicContact CG2-CB 4.13Å; V440-P560 HydrophobicContact CB-CG 4.37Å; V440-P560 HydrophobicContact CG1-CB 4.42Å; V440-P560 HydrophobicContact CG1-CG 4.28Å; V440-P560 HydrophobicContact CG2-CG 4.09Å; V440-R598 PolarHBondContact N-O 3.11Å; V440-V599 HydrophobicContact CB-CG1 4.45Å; V440-V599 CarbonylContact O-C 3.57Å; V440-V599 VanDerWaalsContact O-CA 3.23Å; V440-V599 WeakPolarHBondContact O-CA 3.32Å; V440-K600 PolarHBondContact O-N 3.13Å
441Q97.5Very high91Very high0 Ų045.1 Ų45.10%026%0.261CS..EExtended strand (participates in β ladder)trans-88.6129.4177.2-57.3179.8-67.400108.7R559 P560 T561 L562 K600 F607 T610 S611Q441-R559 HydrophobicContact CG-CB 3.93Å; Q441-R559 VanDerWaalsContact OE1-CB 3.26Å; Q441-P560 WeakPolarHBondContact CB-O 3.31Å; Q441-P560 PolarHBondContact N-O 3.14Å; Q441-T561 HydrophobicContact CB-CG2 4.37Å; Q441-T561 CarbonylContact O-C 3.55Å; Q441-T561 WeakPolarHBondContact O-CA 3.43Å; Q441-T561 PolarHBondContact OE1-OG1 2.9Å; Q441-L562 PolarHBondContact O-N 2.8Å; Q441-K600 WeakPolarHBondContact CA-O 3.49Å; Q441-F607 HydrophobicContact CB-CD1 4.2Å; Q441-F607 HydrophobicContact CB-CD2 3.78Å; Q441-F607 HydrophobicContact CB-CE1 4.17Å; Q441-F607 HydrophobicContact CB-CE2 3.76Å; Q441-F607 HydrophobicContact CB-CG 4Å; Q441-F607 HydrophobicContact CB-CZ 3.93Å; Q441-F607 HydrophobicContact CG-CD1 4.18Å; Q441-F607 HydrophobicContact CG-CE1 4.25Å; Q441-F607 HydrophobicContact CG-CG 4.32Å; Q441-F607 HydrophobicContact CG-CZ 4.47Å; Q441-T610 PolarHBondContact NE2-OG1 3.1Å; Q441-S611 PolarHBondContact OE1-OG 2.97Å
442V97.6Very high91.4Very high0 Ų046.5 Ų46.50%026%0.264CS..EExtended strand (participates in β ladder)trans-121.8122.6-178.6-173.60000109V440 V444 L547 L562 L589 K600 L601 G602V440-V442 HydrophobicContact CG1-CG2 4.44Å; V442-V444 HydrophobicContact CG1-CG2 4.31Å; V442-L547 HydrophobicContact CG2-CD2 3.71Å; V442-L562 WeakPolarHBondContact CA-O 3.43Å; V442-L562 HydrophobicContact CG1-CD2 4.22Å; V442-L589 HydrophobicContact CG1-CD1 4.16Å; V442-K600 PolarHBondContact N-O 2.8Å; V442-L601 HydrophobicContact CB-CD1 4.38Å; V442-L601 HydrophobicContact CG1-CD1 4.38Å; V442-L601 WeakPolarHBondContact O-CA 3.32Å; V442-G602 PolarHBondContact O-N 3.48Å; V442-G602 VanDerWaalsContact O-N 3.14Å
443A97.1Very high91.9Very high1 Ų151 Ų511%0.00828%0.275CS..EExtended strand (participates in β ladder)trans-110.1110.617300000109.5L562 F564 G602 L604 F607A443-L562 PolarHBondContact N-O 2.83Å; A443-F564 PolarHBondContact O-N 2.78Å; A443-G602 WeakPolarHBondContact CA-O 3.3Å; A443-L604 HydrophobicContact CB-CD2 3.56Å; A443-L604 HydrophobicContact CB-CG 3.66Å; A443-F607 HydrophobicContact CB-CE2 4.44Å
444V97Very high92.4Very high9 Ų948.5 Ų48.56%0.05526%0.256CS..EExtended strand (participates in β ladder)trans-88.4121.7177.2177.40000109.1V442 V462 F564 V566 I586 L601V442-V444 HydrophobicContact CG1-CG2 4.31Å; V444-V462 HydrophobicContact CB-CG1 4.31Å; V444-V462 HydrophobicContact CG1-CG1 4.02Å; V444-F564 WeakPolarHBondContact CA-O 3.44Å; V444-F564 HydrophobicContact CG2-CD1 4.4Å; V444-V566 HydrophobicContact CG1-CG2 3.75Å; V444-I586 HydrophobicContact CG1-CD1 4.01Å; V444-I586 HydrophobicContact CG2-CG1 4.37Å; V444-L601 HydrophobicContact CB-CD1 4.4Å; V444-L601 HydrophobicContact CG2-CD1 3.63Å
445L97Very high93.2Very high1 Ų141.5 Ų41.51%0.00521%0.214CC..EExtended strand (participates in β ladder)trans-117.5132.3-177.5-58.8-175000111.6Q463 I465 V468 V473 T563 F564 P565 V566 L604L445-Q463 CarbonylContact C-O 3.47Å; L445-Q463 VanDerWaalsContact CA-O 3.3Å; L445-Q463 WeakPolarHBondContact CA-O 3.34Å; L445-Q463 HydrophobicContact CD2-CB 3.96Å; L445-I465 HydrophobicContact CB-CG1 4.4Å; L445-V468 HydrophobicContact CD1-CG1 4.45Å; L445-V468 HydrophobicContact CD2-CG1 3.75Å; L445-V473 HydrophobicContact CD1-CG1 4.31Å; L445-V473 HydrophobicContact CD1-CG2 3.65Å; L445-T563 HydrophobicContact CD1-CG2 3.49Å; L445-T563 VanDerWaalsContact CD1-CG2 3.49Å; L445-T563 HydrophobicContact CG-CG2 4.07Å; L445-F564 PolarHBondContact N-O 3.22Å; L445-P565 CarbonylContact O-C 3.59Å; L445-P565 WeakPolarHBondContact O-CA 3.5Å; L445-V566 PolarHBondContact O-N 2.83Å; L445-L604 HydrophobicContact CD1-CD1 4.02Å; L445-L604 HydrophobicContact CD2-CD1 4.49Å
446A96.8Very high94.2Very high0 Ų045.2 Ų45.20%023%0.226CC..EExtended strand (participates in β ladder)trans-79.2132.5170.600000110.7N448 I451 K452 V462 Q463 S464 I465A446-N448 PolarHBondContact O-N 2.66Å; A446-I451 HydrophobicContact CB-CB 4.06Å; A446-I451 HydrophobicContact CB-CG2 3.87Å; A446-K452 HydrophobicContact CB-CB 3.94Å; A446-V462 HydrophobicContact CB-CG2 4.1Å; A446-Q463 PolarHBondContact N-O 2.91Å; A446-S464 CarbonylContact O-C 3.23Å; A446-S464 WeakPolarHBondContact O-CA 3.05Å; A446-I465 PolarHBondContact O-N 3.06Å
447E94.1Very high95Very high74 Ų7446.5 Ų46.535%0.34622%0.222SC..SBendtrans-56-37.9174.6173.9-178.4-137.500111.8I451 V566 T567 H568E447-I451 HydrophobicContact CB-CD1 4.07Å; E447-V566 WeakPolarHBondContact CB-O 3.43Å; E447-V566 PolarHBondContact N-O 3.36Å; E447-T567 HydrophobicContact CB-CG2 4.33Å; E447-T567 WeakPolarHBondContact OE2-CA 3.25Å; E447-H568 IonicContact OE1-ND1 3.73Å; E447-H568 IonicContact OE2-CG 3.32Å; E447-H568 PolarHBondContact OE2-N 2.73Å; E447-H568 IonicContact OE2-ND1 2.69Å; E447-H568 PolarHBondContact OE2-ND1 2.9Å
448N94.1Very high95.5Very high58 Ų5843.7 Ų43.731%0.3121%0.205SC..SBendtrans-146.6172.7-177.762.449.3000113.1A446 H450 I451 K452A446-N448 PolarHBondContact O-N 2.66Å; N448-H450 PolarHBondContact O-N 2.85Å; N448-H450 WeakPolarHBondContact OD1-CA 3.43Å; N448-H450 VanDerWaalsContact OD1-CB 3.31Å; N448-H450 WeakPolarHBondContact OD1-CB 3.49Å; N448-H450 PolarHBondContact OD1-N 2.76Å; N448-I451 PolarHBondContact O-N 3.17Å; N448-I451 PolarHBondContact OD1-N 3.48Å; N448-K452 PolarHBondContact O-N 3.44Å
449S94.8Very high95.5Very high80 Ų8045.3 Ų45.356%0.55923%0.227SC*.Hα-helixtrans-65.6-19.8179.6-72.40000114.1R453S449-R453 WeakPolarHBondContact O-CG 3.45Å; S449-R453 PolarHBondContact O-N 3.27Å
450H94.6Very high95.4Very high80 Ų8044 Ų4437%0.3722%0.22SC..Hα-helixtrans-72.6-51.2175.9171.761000110.8N448 K452 R453 L454N448-H450 PolarHBondContact O-N 2.85Å; N448-H450 WeakPolarHBondContact OD1-CA 3.43Å; N448-H450 VanDerWaalsContact OD1-CB 3.31Å; N448-H450 WeakPolarHBondContact OD1-CB 3.49Å; N448-H450 PolarHBondContact OD1-N 2.76Å; H450-K452 VanDerWaalsContact C-N 3.28Å; H450-K452 PolarHBondContact O-N 3.34Å; H450-R453 WeakPolarHBondContact O-CB 3.06Å; H450-R453 PolarHBondContact O-N 3.12Å; H450-L454 PolarHBondContact O-N 3.14Å
451I95.7Very high95.1Very high0 Ų050.1 Ų50.10%025%0.252CS..Hα-helixtrans-60-40.3176.4-63.9170.7000110.9A446 E447 N448 R453 L454 F455 V566 T567 L571A446-I451 HydrophobicContact CB-CB 4.06Å; A446-I451 HydrophobicContact CB-CG2 3.87Å; E447-I451 HydrophobicContact CB-CD1 4.07Å; N448-I451 PolarHBondContact O-N 3.17Å; N448-I451 PolarHBondContact OD1-N 3.48Å; I451-R453 PolarHBondContact O-N 2.74Å; I451-L454 WeakPolarHBondContact O-CB 3.21Å; I451-L454 PolarHBondContact O-N 3.35Å; I451-L454 VanDerWaalsContact O-N 3.07Å; I451-F455 HydrophobicContact CG2-CD2 3.87Å; I451-F455 HydrophobicContact CG2-CE2 3.68Å; I451-F455 WeakPolarHBondContact O-CD2 3.18Å; I451-F455 PolarHBondContact O-N 3.43Å; I451-F455 VanDerWaalsContact O-N 3.08Å; I451-V566 WeakPolarHBondContact CD1-O 3.42Å; I451-V566 HydrophobicContact CG2-CB 4.38Å; I451-V566 HydrophobicContact CG2-CG1 4.03Å; I451-T567 VanDerWaalsContact CD1-C 3.49Å; I451-L571 HydrophobicContact CG1-CD1 4.2Å; I451-L571 HydrophobicContact CG1-CD2 4.31Å
452K95.7Very high95Very high49 Ų4950.8 Ų50.821%0.21326%0.257CS..Hα-helixtrans-55.4-37.7173.5-175178.1179.3-179.20112.8A446 N448 H450 R456 V462 D467A446-K452 HydrophobicContact CB-CB 3.94Å; N448-K452 PolarHBondContact O-N 3.44Å; H450-K452 VanDerWaalsContact C-N 3.28Å; H450-K452 PolarHBondContact O-N 3.34Å; K452-R456 PolarHBondContact O-N 3.41Å; K452-V462 WeakPolarHBondContact CE-O 3.36Å; K452-V462 HydrophobicContact CG-CG2 4.36Å; K452-D467 WeakPolarHBondContact CE-OD2 3.49Å; K452-D467 VanDerWaalsContact NZ-CG 3.31Å; K452-D467 IonicContact NZ-OD1 2.69Å; K452-D467 PolarHBondContact NZ-OD1 3.49Å; K452-D467 IonicContact NZ-OD2 2.65Å; K452-D467 PolarHBondContact NZ-OD2 2.98Å
453R95.8Very high94.9Very high153 Ų15352.7 Ų52.758%0.57727%0.265SS*.Hα-helixtrans-70.9-37.6176.4-74.4-177.3-67.1165.81.1112.2S449 H450 I451 R456 Q457S449-R453 WeakPolarHBondContact O-CG 3.45Å; S449-R453 PolarHBondContact O-N 3.27Å; H450-R453 WeakPolarHBondContact O-CB 3.06Å; H450-R453 PolarHBondContact O-N 3.12Å; I451-R453 PolarHBondContact O-N 2.74Å; R453-R456 PolarHBondContact O-N 3.34Å; R453-Q457 WeakPolarHBondContact O-CG 3.39Å; R453-Q457 PolarHBondContact O-N 2.84Å
454L96.2Very high94.8Very high6 Ų652.8 Ų52.83%0.03127%0.266CS..Hα-helixtrans-62.4-43176.4-63.2177.6000111.7H450 I451 R456 Q457 H458 L571 S576 I578H450-L454 PolarHBondContact O-N 3.14Å; I451-L454 WeakPolarHBondContact O-CB 3.21Å; I451-L454 PolarHBondContact O-N 3.35Å; I451-L454 VanDerWaalsContact O-N 3.07Å; L454-R456 VanDerWaalsContact C-N 3.33Å; L454-R456 PolarHBondContact O-N 3.06Å; L454-Q457 WeakPolarHBondContact O-CB 3.39Å; L454-Q457 PolarHBondContact O-N 3.3Å; L454-H458 PolarHBondContact O-N 3.16Å; L454-H458 PolarHBondContact O-ND1 3.48Å; L454-L571 HydrophobicContact CD1-CD1 4.17Å; L454-L571 HydrophobicContact CD1-CD2 3.86Å; L454-S576 WeakPolarHBondContact CD2-O 3.27Å; L454-I578 HydrophobicContact CB-CD1 3.93Å; L454-I578 HydrophobicContact CB-CG1 4.02Å
455F95.1Very high94.6Very high0 Ų055.4 Ų55.40%028%0.279CS..Hα-helixtrans-61-42.2173.9-84.2-66.2000112.4I451 Q457 H458 G459 V460 V462 V566 I578 I586I451-F455 HydrophobicContact CG2-CD2 3.87Å; I451-F455 HydrophobicContact CG2-CE2 3.68Å; I451-F455 WeakPolarHBondContact O-CD2 3.18Å; I451-F455 PolarHBondContact O-N 3.43Å; I451-F455 VanDerWaalsContact O-N 3.08Å; F455-Q457 VanDerWaalsContact C-N 3.29Å; F455-Q457 PolarHBondContact O-N 3.06Å; F455-H458 CarbonylContact O-C 3.5Å; F455-H458 WeakPolarHBondContact O-CA 3.34Å; F455-H458 WeakPolarHBondContact O-CB 3.13Å; F455-H458 PolarHBondContact O-N 3.19Å; F455-G459 PolarHBondContact O-N 3.41Å; F455-V460 CarbonylContact C-O 3.09Å; F455-V460 HydrophobicContact CB-CB 4.39Å; F455-V460 HydrophobicContact CD1-CB 4.05Å; F455-V460 HydrophobicContact CD1-CG1 4.14Å; F455-V460 PolarHBondContact O-N 3.46Å; F455-V460 VanDerWaalsContact O-O 3.1Å; F455-V462 HydrophobicContact CB-CG1 4.36Å; F455-V462 HydrophobicContact CB-CG2 3.79Å; F455-V462 HydrophobicContact CD1-CG1 4.37Å; F455-V462 HydrophobicContact CD2-CG1 4.29Å; F455-V462 HydrophobicContact CD2-CG2 3.65Å; F455-V462 HydrophobicContact CG-CG1 4.08Å; F455-V462 HydrophobicContact CG-CG2 3.88Å; F455-V566 HydrophobicContact CE2-CB 3.9Å; F455-V566 HydrophobicContact CE2-CG1 3.76Å; F455-V566 HydrophobicContact CE2-CG2 4.01Å; F455-V566 HydrophobicContact CZ-CB 4.17Å; F455-V566 HydrophobicContact CZ-CG1 3.89Å; F455-V566 HydrophobicContact CZ-CG2 3.85Å; F455-I578 HydrophobicContact CB-CD1 4.24Å; F455-I578 HydrophobicContact CD1-CD1 3.37Å; F455-I578 HydrophobicContact CD2-CD1 3.77Å; F455-I578 HydrophobicContact CE1-CD1 3.43Å; F455-I578 VanDerWaalsContact CE1-CD1 3.43Å; F455-I578 HydrophobicContact CE1-CG1 4.34Å; F455-I578 HydrophobicContact CE1-CG2 4.35Å; F455-I578 HydrophobicContact CE2-CD1 3.84Å; F455-I578 HydrophobicContact CE2-CG1 4.31Å; F455-I578 HydrophobicContact CG-CD1 3.53Å; F455-I578 HydrophobicContact CZ-CD1 3.66Å; F455-I578 HydrophobicContact CZ-CG1 4.16Å; F455-I578 HydrophobicContact CZ-CG2 4.19Å; F455-I586 HydrophobicContact CE1-CD1 3.36Å; F455-I586 HydrophobicContact CZ-CD1 3.46Å; F455-I586 VanDerWaalsContact CZ-CD1 3.46Å
456R94.8Very high94.4Very high156 Ų15659.3 Ų59.359%0.58931%0.311SS*.Hα-helixtrans-62.3-36177.5-175.3178.4-74.9173.1-4.9112.3K452 R453 L454 H458 G459 V460K452-R456 PolarHBondContact O-N 3.41Å; R453-R456 PolarHBondContact O-N 3.34Å; L454-R456 VanDerWaalsContact C-N 3.33Å; L454-R456 PolarHBondContact O-N 3.06Å; R456-H458 PolarHBondContact O-N 3.46Å; R456-G459 PolarHBondContact O-N 2.81Å; R456-G459 VanDerWaalsContact O-N 3.16Å; R456-V460 PolarHBondContact N-O 2.63Å
457Q94.6Very high94.2Very high142 Ų14262.7 Ų62.766%0.66433%0.329SS*.Hα-helixtrans-62.3-30.7173.6-69.9169.8-700112R453 L454 F455 G459R453-Q457 WeakPolarHBondContact O-CG 3.39Å; R453-Q457 PolarHBondContact O-N 2.84Å; L454-Q457 WeakPolarHBondContact O-CB 3.39Å; L454-Q457 PolarHBondContact O-N 3.3Å; F455-Q457 VanDerWaalsContact C-N 3.29Å; F455-Q457 PolarHBondContact O-N 3.06Å; Q457-G459 VanDerWaalsContact C-N 3.32Å
458H93.6Very high94.2Very high51 Ų5159.6 Ų59.624%0.23632%0.316CS..THydrogen-bonded Turntrans-87.76.5177-73.885.7000114.7L454 F455 R456 V460 D577 L583L454-H458 PolarHBondContact O-N 3.16Å; L454-H458 PolarHBondContact O-ND1 3.48Å; F455-H458 CarbonylContact O-C 3.5Å; F455-H458 WeakPolarHBondContact O-CA 3.34Å; F455-H458 WeakPolarHBondContact O-CB 3.13Å; F455-H458 PolarHBondContact O-N 3.19Å; R456-H458 PolarHBondContact O-N 3.46Å; H458-V460 VanDerWaalsContact C-N 3.28Å; H458-V460 PolarHBondContact O-N 3.11Å; H458-D577 IonicContact CE1-OD1 3.71Å; H458-D577 PolarHBondContact CE1-OD1 2.86Å; H458-D577 IonicContact CE1-OD2 2.74Å; H458-D577 PolarHBondContact CE1-OD2 3.48Å; H458-D577 IonicContact ND1-OD1 3.12Å; H458-D577 PolarHBondContact ND1-OD1 3.38Å; H458-D577 IonicContact NE2-OD1 2.75Å; H458-D577 IonicContact NE2-OD2 3.75Å; H458-D577 PolarHBondContact NE2-OD2 3.03Å; H458-L583 HydrophobicContact CB-CD1 3.91Å; H458-L583 HydrophobicContact CB-CD2 4.44Å; H458-L583 WeakPolarHBondContact CD2-CD2 3.14Å
459G92.2Very high94Very high61 Ų6164.1 Ų64.163%0.62933%0.334SS*.THydrogen-bonded Turntrans78.36.2-179.500000114.8F455 R456 Q457F455-G459 PolarHBondContact O-N 3.41Å; R456-G459 PolarHBondContact O-N 2.81Å; R456-G459 VanDerWaalsContact O-N 3.16Å; Q457-G459 VanDerWaalsContact C-N 3.32Å
460V91.8Very high93.9Very high4 Ų464.9 Ų64.92%0.02434%0.338CS..  trans-99.1127.4-179.1-175.60000109.4F455 R456 H458 V462 I586F455-V460 CarbonylContact C-O 3.09Å; F455-V460 HydrophobicContact CB-CB 4.39Å; F455-V460 HydrophobicContact CD1-CB 4.05Å; F455-V460 HydrophobicContact CD1-CG1 4.14Å; F455-V460 PolarHBondContact O-N 3.46Å; F455-V460 VanDerWaalsContact O-O 3.1Å; R456-V460 PolarHBondContact N-O 2.63Å; H458-V460 VanDerWaalsContact C-N 3.28Å; H458-V460 PolarHBondContact O-N 3.11Å; V460-V462 HydrophobicContact CG1-CG1 3.99Å; V460-I586 HydrophobicContact CG1-CG2 3.93Å
461N91.6Very high93.9Very high127 Ų12761.7 Ų61.768%0.67932%0.323SS*.  trans-96.3116.5177.4-70.4-54000110.3
462V94.3Very high93.9Very high15 Ų1563.9 Ų63.99%0.09133%0.331CS..  trans-125.2154.4176.4-57.90000111.5V444 A446 K452 F455 V460V444-V462 HydrophobicContact CB-CG1 4.31Å; V444-V462 HydrophobicContact CG1-CG1 4.02Å; A446-V462 HydrophobicContact CB-CG2 4.1Å; K452-V462 WeakPolarHBondContact CE-O 3.36Å; K452-V462 HydrophobicContact CG-CG2 4.36Å; F455-V462 HydrophobicContact CB-CG1 4.36Å; F455-V462 HydrophobicContact CB-CG2 3.79Å; F455-V462 HydrophobicContact CD1-CG1 4.37Å; F455-V462 HydrophobicContact CD2-CG1 4.29Å; F455-V462 HydrophobicContact CD2-CG2 3.65Å; F455-V462 HydrophobicContact CG-CG1 4.08Å; F455-V462 HydrophobicContact CG-CG2 3.88Å; V460-V462 HydrophobicContact CG1-CG1 3.99Å
463Q95.7Very high93.9Very high39 Ų3962.5 Ų62.518%0.18233%0.327CS..EExtended strand (participates in β ladder)trans-88.9149.9170.1-62.2-179.9-68.800109.6L445 A446 D467 V468 N603L445-Q463 CarbonylContact C-O 3.47Å; L445-Q463 VanDerWaalsContact CA-O 3.3Å; L445-Q463 WeakPolarHBondContact CA-O 3.34Å; L445-Q463 HydrophobicContact CD2-CB 3.96Å; A446-Q463 PolarHBondContact N-O 2.91Å; Q463-D467 HydrophobicContact CB-CB 4.24Å; Q463-V468 HydrophobicContact CB-CG1 3.83Å; Q463-V468 HydrophobicContact CG-CG1 4.49Å; Q463-N603 WeakPolarHBondContact CG-OD1 3.42Å; Q463-N603 VanDerWaalsContact OE1-CB 3.28Å; Q463-N603 PolarHBondContact OE1-OD1 3.31Å
464S95.3Very high93.8Very high3 Ų356.3 Ų56.32%0.02131%0.305CS..EExtended strand (participates in β ladder)trans-87.6161.8165.769.60000110.9A446 A466 D467A446-S464 CarbonylContact O-C 3.23Å; A446-S464 WeakPolarHBondContact O-CA 3.05Å; S464-A466 PolarHBondContact O-N 3.38Å; S464-A466 VanDerWaalsContact O-N 3.14Å; S464-D467 WeakPolarHBondContact CA-OD2 3.48Å; S464-D467 VanDerWaalsContact CB-OD2 3.3Å; S464-D467 WeakPolarHBondContact CB-OD2 3.33Å; S464-D467 PolarHBondContact N-OD2 3.11Å; S464-D467 WeakPolarHBondContact O-CB 3.45Å; S464-D467 PolarHBondContact O-N 3.25Å; S464-D467 PolarHBondContact OG-N 3.4Å; S464-D467 PolarHBondContact OG-OD2 3.04Å
465I93.1Very high93.6Very high65 Ų6557.3 Ų57.333%0.33331%0.312SS..THydrogen-bonded Turntrans-55.3-31.4175.5-63.6174.1000111.9L445 A446 V468 V473L445-I465 HydrophobicContact CB-CG1 4.4Å; A446-I465 PolarHBondContact O-N 3.06Å; I465-V468 WeakPolarHBondContact O-CG2 3.43Å; I465-V473 HydrophobicContact CG2-CB 4.3Å
466A92.3Very high93.4Very high82 Ų8257.3 Ų57.368%0.67831%0.312SS*.THydrogen-bonded Turntrans-74.5-28.1175.900000113.4S464 V468S464-A466 PolarHBondContact O-N 3.38Å; S464-A466 VanDerWaalsContact O-N 3.14Å; A466-V468 VanDerWaalsContact C-N 3.33Å; A466-V468 PolarHBondContact O-N 2.88Å
467D93.8Very high93.1Very high72 Ų7250.8 Ų50.839%0.38529%0.287SS..THydrogen-bonded Turntrans-76-19.2-176.1-62-57.1000113.4K452 Q463 S464K452-D467 WeakPolarHBondContact CE-OD2 3.49Å; K452-D467 VanDerWaalsContact NZ-CG 3.31Å; K452-D467 IonicContact NZ-OD1 2.69Å; K452-D467 PolarHBondContact NZ-OD1 3.49Å; K452-D467 IonicContact NZ-OD2 2.65Å; K452-D467 PolarHBondContact NZ-OD2 2.98Å; Q463-D467 HydrophobicContact CB-CB 4.24Å; S464-D467 WeakPolarHBondContact CA-OD2 3.48Å; S464-D467 VanDerWaalsContact CB-OD2 3.3Å; S464-D467 WeakPolarHBondContact CB-OD2 3.33Å; S464-D467 PolarHBondContact N-OD2 3.11Å; S464-D467 WeakPolarHBondContact O-CB 3.45Å; S464-D467 PolarHBondContact O-N 3.25Å; S464-D467 PolarHBondContact OG-N 3.4Å; S464-D467 PolarHBondContact OG-OD2 3.04Å
468V94.1Very high93Very high9 Ų944 Ų446%0.05526%0.255CS..THydrogen-bonded Turntrans-89-2.9-173.4-55.60000113.7L445 Q463 I465 A466 I471 V473 L604L445-V468 HydrophobicContact CD1-CG1 4.45Å; L445-V468 HydrophobicContact CD2-CG1 3.75Å; Q463-V468 HydrophobicContact CB-CG1 3.83Å; Q463-V468 HydrophobicContact CG-CG1 4.49Å; I465-V468 WeakPolarHBondContact O-CG2 3.43Å; A466-V468 VanDerWaalsContact C-N 3.33Å; A466-V468 PolarHBondContact O-N 2.88Å; V468-I471 VanDerWaalsContact O-CB 3.32Å; V468-I471 WeakPolarHBondContact O-CB 3.41Å; V468-I471 PolarHBondContact O-N 2.93Å; V468-V473 HydrophobicContact CG2-CG2 3.65Å; V468-L604 HydrophobicContact CB-CD1 4.26Å; V468-L604 HydrophobicContact CG1-CD1 4.22Å; V468-L604 HydrophobicContact CG2-CD1 4.38Å
469H89.7Confident93Very high152 Ų15241.6 Ų41.670%0.70424%0.244SC*.THydrogen-bonded Turntrans-55.4132.5174-169.674.8000110.4
470P91.6Very high93Very high97 Ų9738.7 Ų38.763%0.6321%0.214SC*.THydrogen-bonded Turncis-86.21.52034.8-37.5000116.6R472P470-R472 PolarHBondContact O-N 3.28Å
471I95.4Very high92.9Very high12 Ų1241.1 Ų41.16%0.06223%0.225CC..SBendtrans-71.3124.3175.6-52.9168.2000108.5V468 I517 T519 L604 L608V468-I471 VanDerWaalsContact O-CB 3.32Å; V468-I471 WeakPolarHBondContact O-CB 3.41Å; V468-I471 PolarHBondContact O-N 2.93Å; I471-I517 WeakPolarHBondContact CA-O 3.36Å; I471-I517 HydrophobicContact CG2-CG2 4.19Å; I471-T519 HydrophobicContact CG2-CG2 4.08Å; I471-L604 HydrophobicContact CD1-CB 3.81Å; I471-L604 HydrophobicContact CG2-CD1 4.33Å; I471-L608 HydrophobicContact CD1-CD1 4.29Å; I471-L608 HydrophobicContact CD1-CD2 3.82Å; I471-L608 HydrophobicContact CD1-CG 4.33Å; I471-L608 HydrophobicContact CG1-CD2 4.45Å
472R94.8Very high92.9Very high47 Ų4735.1 Ų35.118%0.17719%0.193CC..EExtended strand (participates in β ladder)trans-93.8120.1-179.6-65.9-178.268.4178.51.7110.2P470 I517 F518 T519 D661P470-R472 PolarHBondContact O-N 3.28Å; R472-I517 PolarHBondContact N-O 3.42Å; R472-F518 HydrophobicContact CB-CD1 3.67Å; R472-F518 HydrophobicContact CB-CE1 3.78Å; R472-F518 HydrophobicContact CB-CG 4.16Å; R472-F518 HydrophobicContact CB-CZ 4.35Å; R472-F518 HydrophobicContact CG-CE1 4.4Å; R472-F518 CarbonylContact O-C 3.54Å; R472-F518 VanDerWaalsContact O-CA 3.28Å; R472-F518 WeakPolarHBondContact O-CA 3.47Å; R472-T519 PolarHBondContact O-N 3.47Å; R472-D661 IonicContact CZ-OD1 2.72Å; R472-D661 IonicContact NH1-OD1 3.54Å; R472-D661 PolarHBondContact NH1-OD1 2.8Å; R472-D661 IonicContact NH1-OD2 3.5Å; R472-D661 IonicContact NH2-OD1 2.96Å; R472-D661 PolarHBondContact NH2-OD1 3.03Å
473V95.3Very high92.9Very high20 Ų2034.6 Ų34.612%0.12119%0.189CC..EExtended strand (participates in β ladder)trans-93.4126175.2-173.50000108.3L445 I465 V468 T519 T521 T563 L604L445-V473 HydrophobicContact CD1-CG1 4.31Å; L445-V473 HydrophobicContact CD1-CG2 3.65Å; I465-V473 HydrophobicContact CG2-CB 4.3Å; V468-V473 HydrophobicContact CG2-CG2 3.65Å; V473-T519 WeakPolarHBondContact CA-O 3.33Å; V473-T519 HydrophobicContact CB-CG2 4.25Å; V473-T519 HydrophobicContact CG1-CG2 4.31Å; V473-T519 HydrophobicContact CG2-CG2 3.78Å; V473-T521 HydrophobicContact CG1-CG2 3.86Å; V473-T563 HydrophobicContact CG1-CG2 4.06Å; V473-L604 HydrophobicContact CG2-CD1 4.44Å
474Q94.9Very high92.7Very high23 Ų2333.7 Ų33.711%0.10719%0.189CC..EExtended strand (participates in β ladder)trans-131.4152.9178.4-67.4-61-28.500111.1I478 F518 T519 F520 T521Q474-I478 HydrophobicContact CB-CB 4.4Å; Q474-F518 HydrophobicContact CG-CD1 4.02Å; Q474-F518 HydrophobicContact CG-CE1 4.27Å; Q474-T519 PolarHBondContact N-O 2.92Å; Q474-F520 HydrophobicContact CB-CD1 3.69Å; Q474-F520 HydrophobicContact CB-CE1 3.61Å; Q474-F520 HydrophobicContact CG-CE1 4.39Å; Q474-F520 CarbonylContact O-C 3.51Å; Q474-F520 WeakPolarHBondContact O-CA 3.22Å; Q474-T521 PolarHBondContact O-N 2.9Å
475P92.4Very high92.5Very high27 Ų2735.6 Ų35.618%0.17520%0.197CC..EExtended strand (participates in β ladder)trans-63.5146171.9-23.835.7000112.3R477 I478 L668P475-R477 HydrophobicContact CB-CG 3.97Å; P475-R477 VanDerWaalsContact CB-NH1 3.27Å; P475-R477 PolarHBondContact O-N 2.92Å; P475-R477 VanDerWaalsContact O-N 3.12Å; P475-I478 WeakPolarHBondContact O-CB 3.28Å; P475-I478 PolarHBondContact O-N 3.37Å; P475-L668 HydrophobicContact CG-CD2 4.14Å
476G91Very high92.5Very high0 Ų032.9 Ų32.90%018%0.183CC..Hα-helixtrans-51.2-35.9178.200000114.6I478 L479 S480 T521 Q523G476-I478 PolarHBondContact O-N 3.04Å; G476-L479 VanDerWaalsContact O-CB 3.3Å; G476-L479 WeakPolarHBondContact O-CB 3.37Å; G476-L479 PolarHBondContact O-N 2.87Å; G476-S480 PolarHBondContact O-N 2.94Å; G476-T521 WeakPolarHBondContact CA-O 3.36Å; G476-T521 PolarHBondContact N-O 2.83Å; G476-Q523 PolarHBondContact O-NE2 2.91Å; G476-Q523 VanDerWaalsContact O-NE2 3.16Å
477R88.5Confident92.5Very high18 Ų1829.6 Ų29.67%0.06816%0.156CC..Hα-helixtrans-54.6-33.2175.765.8177.4-175.8-91.410.1114.1P475 L479 S480 H481 D526 T671P475-R477 HydrophobicContact CB-CG 3.97Å; P475-R477 VanDerWaalsContact CB-NH1 3.27Å; P475-R477 PolarHBondContact O-N 2.92Å; P475-R477 VanDerWaalsContact O-N 3.12Å; R477-L479 VanDerWaalsContact C-N 3.31Å; R477-L479 PolarHBondContact O-N 3.45Å; R477-S480 WeakPolarHBondContact O-CB 3.42Å; R477-S480 PolarHBondContact O-N 3.47Å; R477-H481 PolarHBondContact O-CD2 2.95Å; R477-H481 VanDerWaalsContact O-CD2 3.3Å; R477-H481 PolarHBondContact O-N 3.17Å; R477-D526 WeakPolarHBondContact CD-OD2 3.31Å; R477-D526 IonicContact CZ-OD2 3.97Å; R477-D526 IonicContact NE-OD2 3.09Å; R477-D526 IonicContact NH1-OD1 3.34Å; R477-D526 IonicContact NH1-OD2 3.85Å; R477-D526 PolarHBondContact NH1-OD2 2.68Å; R477-T671 PolarHBondContact NH2-OG1 2.97Å
478I92.1Very high92.4Very high1 Ų130.4 Ų30.41%0.00515%0.154CC..Hα-helixtrans-67.4-37.7180-59-58.9000110.1Q474 P475 G476 S480 H481 I482 F520 I664 L667 L668Q474-I478 HydrophobicContact CB-CB 4.4Å; P475-I478 WeakPolarHBondContact O-CB 3.28Å; P475-I478 PolarHBondContact O-N 3.37Å; G476-I478 PolarHBondContact O-N 3.04Å; I478-S480 VanDerWaalsContact C-N 3.31Å; I478-S480 PolarHBondContact O-N 2.86Å; I478-H481 PolarHBondContact O-N 2.76Å; I478-I482 HydrophobicContact CG2-CD1 4.07Å; I478-I482 WeakPolarHBondContact O-CG1 3.19Å; I478-I482 PolarHBondContact O-N 2.98Å; I478-F520 HydrophobicContact CB-CE1 4.26Å; I478-F520 HydrophobicContact CG2-CE1 4.3Å; I478-I664 HydrophobicContact CG2-CD1 4.48Å; I478-I664 HydrophobicContact CG2-CG1 4.01Å; I478-I664 HydrophobicContact CG2-CG2 4.36Å; I478-L667 HydrophobicContact CD1-CB 3.72Å; I478-L667 HydrophobicContact CD1-CD1 4.04Å; I478-L668 HydrophobicContact CD1-CD2 4.19Å; I478-L668 HydrophobicContact CD1-CG 4.4Å; I478-L668 HydrophobicContact CG1-CD2 4.39Å
479L93.4Very high92.4Very high0 Ų030.8 Ų30.80%016%0.156CC..Hα-helixtrans-62-40.3175.5-170.758000111.5G476 R477 H481 I482 Y483 I502 T507 Y511 F520 L616G476-L479 VanDerWaalsContact O-CB 3.3Å; G476-L479 WeakPolarHBondContact O-CB 3.37Å; G476-L479 PolarHBondContact O-N 2.87Å; R477-L479 VanDerWaalsContact C-N 3.31Å; R477-L479 PolarHBondContact O-N 3.45Å; L479-H481 VanDerWaalsContact C-N 3.35Å; L479-H481 PolarHBondContact O-N 2.79Å; L479-I482 WeakPolarHBondContact O-CB 3.34Å; L479-I482 PolarHBondContact O-N 3.21Å; L479-Y483 HydrophobicContact CD1-CD2 3.78Å; L479-Y483 HydrophobicContact CD1-CE2 3.68Å; L479-Y483 HydrophobicContact CG-CD2 3.95Å; L479-Y483 HydrophobicContact CG-CE2 4.05Å; L479-Y483 PolarHBondContact O-N 2.75Å; L479-I502 HydrophobicContact CB-CD1 4.15Å; L479-I502 HydrophobicContact CD2-CB 4.4Å; L479-I502 HydrophobicContact CD2-CD1 3.94Å; L479-I502 HydrophobicContact CD2-CG2 3.93Å; L479-I502 HydrophobicContact CG-CD1 3.55Å; L479-T507 HydrophobicContact CD2-CG2 4.36Å; L479-Y511 HydrophobicContact CD1-CD1 4.14Å; L479-Y511 HydrophobicContact CD1-CE1 3.86Å; L479-Y511 HydrophobicContact CD1-CE2 4.24Å; L479-Y511 HydrophobicContact CD1-CG 4.47Å; L479-Y511 HydrophobicContact CD2-CE1 4.38Å; L479-Y511 HydrophobicContact CD2-CE2 3.77Å; L479-Y511 WeakPolarHBondContact CD2-OH 3.42Å; L479-F520 HydrophobicContact CB-CD1 3.69Å; L479-F520 HydrophobicContact CB-CD2 4.22Å; L479-F520 HydrophobicContact CB-CE1 3.81Å; L479-F520 HydrophobicContact CB-CE2 4.36Å; L479-F520 HydrophobicContact CB-CG 3.89Å; L479-F520 HydrophobicContact CB-CZ 4.16Å; L479-F520 HydrophobicContact CD1-CD2 3.96Å; L479-F520 HydrophobicContact CD1-CE1 4.32Å; L479-F520 HydrophobicContact CD1-CE2 3.58Å; L479-F520 HydrophobicContact CD1-CG 4.49Å; L479-F520 HydrophobicContact CD1-CZ 3.78Å; L479-F520 HydrophobicContact CD2-CB 4.36Å; L479-F520 HydrophobicContact CD2-CD2 3.92Å; L479-F520 HydrophobicContact CD2-CE2 4.42Å; L479-F520 HydrophobicContact CD2-CG 4.07Å; L479-F520 HydrophobicContact CG-CD2 4.22Å; L479-F520 HydrophobicContact CG-CE2 4.3Å; L479-F520 HydrophobicContact CG-CG 4.35Å; L479-F520 HydrophobicContact CG-CZ 4.47Å; L479-L616 HydrophobicContact CD1-CD1 4.39Å
480S91.3Very high92.4Very high0 Ų028.3 Ų28.30%014%0.143CC..Hα-helixtrans-60.8-41.8175-69.60000112.4G476 R477 I478 A484 R500 H501 I502G476-S480 PolarHBondContact O-N 2.94Å; R477-S480 WeakPolarHBondContact O-CB 3.42Å; R477-S480 PolarHBondContact O-N 3.47Å; I478-S480 VanDerWaalsContact C-N 3.31Å; I478-S480 PolarHBondContact O-N 2.86Å; S480-A484 PolarHBondContact O-N 3.35Å; S480-R500 WeakPolarHBondContact CB-O 3.47Å; S480-R500 PolarHBondContact OG-O 3.47Å; S480-R500 VanDerWaalsContact OG-O 3.05Å; S480-H501 WeakPolarHBondContact OG-CA 3.08Å; S480-I502 PolarHBondContact OG-N 3.21Å
481H90.8Very high92.4Very high54 Ų5429.8 Ų29.825%0.2515%0.146CC..Hα-helixtrans-66.7-33.5174.3-79.8-69.3000113.6R477 I478 L479 Y499 Y663 L667R477-H481 PolarHBondContact O-CD2 2.95Å; R477-H481 VanDerWaalsContact O-CD2 3.3Å; R477-H481 PolarHBondContact O-N 3.17Å; I478-H481 PolarHBondContact O-N 2.76Å; L479-H481 VanDerWaalsContact C-N 3.35Å; L479-H481 PolarHBondContact O-N 2.79Å; H481-Y499 AromaticContact CD2-CE2 3.79Å; H481-Y499 AromaticContact CE1-CE2 3.58Å; H481-Y499 AromaticContact CG-CE2 3.89Å; H481-Y499 AromaticContact ND1-CD2 3.95Å; H481-Y499 AromaticContact ND1-CE2 3.76Å; H481-Y499 AromaticContact NE2-CE2 3.61Å; H481-Y663 HydrophobicContact CB-CE1 4.38Å; H481-L667 HydrophobicContact CB-CD1 3.69Å
482I92.1Very high92.3Very high1 Ų130.5 Ų30.51%0.00515%0.149CC..Hα-helixtrans-66.2-52.2174.7-75.3165.1000110.2I478 L479 A484 K485 I513 F520 L616 F618 L619I478-I482 HydrophobicContact CG2-CD1 4.07Å; I478-I482 WeakPolarHBondContact O-CG1 3.19Å; I478-I482 PolarHBondContact O-N 2.98Å; L479-I482 WeakPolarHBondContact O-CB 3.34Å; L479-I482 PolarHBondContact O-N 3.21Å; I482-A484 PolarHBondContact O-N 2.98Å; I482-K485 WeakPolarHBondContact O-CB 3.38Å; I482-K485 PolarHBondContact O-N 2.96Å; I482-I513 HydrophobicContact CD1-CD1 4.12Å; I482-F520 HydrophobicContact CD1-CE1 4.45Å; I482-F520 HydrophobicContact CD1-CZ 4.12Å; I482-L616 HydrophobicContact CG2-CD1 3.72Å; I482-F618 HydrophobicContact CG2-CZ 4.06Å; I482-L619 HydrophobicContact CG2-CD1 3.71Å
483Y93.1Very high92.3Very high4 Ų436.2 Ų36.22%0.01618%0.175CC..Hα-helixtrans-64.4-24.9179.6-91.1-83000113.1L231 L479 K485 L486 R497 I502 Y511 L616L231-Y483 HydrophobicContact CD2-CD1 4.27Å; L231-Y483 HydrophobicContact CD2-CD2 4.41Å; L231-Y483 HydrophobicContact CD2-CE1 3.94Å; L231-Y483 HydrophobicContact CD2-CE2 4.07Å; L231-Y483 HydrophobicContact CD2-CG 4.49Å; L479-Y483 HydrophobicContact CD1-CD2 3.78Å; L479-Y483 HydrophobicContact CD1-CE2 3.68Å; L479-Y483 HydrophobicContact CG-CD2 3.95Å; L479-Y483 HydrophobicContact CG-CE2 4.05Å; L479-Y483 PolarHBondContact O-N 2.75Å; Y483-K485 PolarHBondContact O-N 2.91Å; Y483-K485 VanDerWaalsContact O-N 3.11Å; Y483-L486 HydrophobicContact CD1-CB 4.49Å; Y483-L486 HydrophobicContact CD1-CD2 3.82Å; Y483-L486 HydrophobicContact CE1-CD2 4.04Å; Y483-L486 VanDerWaalsContact O-CB 3.22Å; Y483-L486 WeakPolarHBondContact O-CB 3.34Å; Y483-L486 PolarHBondContact O-N 2.79Å; Y483-R497 WeakPolarHBondContact O-CB 3.4Å; Y483-I502 HydrophobicContact CD2-CD1 3.38Å; Y483-I502 HydrophobicContact CE2-CD1 4.04Å; Y483-I502 HydrophobicContact CG-CD1 3.96Å; Y483-Y511 AromaticContact CE2-CE1 3.91Å; Y483-Y511 HydrophobicContact CE2-CE1 3.91Å; Y483-L616 HydrophobicContact CE2-CD1 4.42Å; Y483-L616 HydrophobicContact CE2-CD2 4.41Å
484A92.2Very high92.4Very high21 Ų2135.5 Ų35.517%0.17417%0.171CC..THydrogen-bonded Turntrans-60.9-17.2172.300000113.6S480 I482 R497S480-A484 PolarHBondContact O-N 3.35Å; I482-A484 PolarHBondContact O-N 2.98Å; A484-R497 WeakPolarHBondContact CA-O 3.32Å
485K90.1Very high92.3Very high43 Ų4335.7 Ų35.719%0.18718%0.175CC..THydrogen-bonded Turntrans-86.7-16.4173.9-55.5-60.1-177.11750113.3I482 Y483 R488 F618 L627I482-K485 WeakPolarHBondContact O-CB 3.38Å; I482-K485 PolarHBondContact O-N 2.96Å; Y483-K485 PolarHBondContact O-N 2.91Å; Y483-K485 VanDerWaalsContact O-N 3.11Å; K485-R488 WeakPolarHBondContact O-CB 3.27Å; K485-R488 PolarHBondContact O-N 3.2Å; K485-F618 HydrophobicContact CB-CE2 4.33Å; K485-L627 HydrophobicContact CB-CD2 4.31Å; K485-L627 HydrophobicContact CG-CD2 4.39Å
486L92.9Very high92.3Very high8 Ų834.4 Ų34.44%0.04217%0.166CC..THydrogen-bonded Turntrans-65.4133.2-178.5179.265.5000110.8Q166 F170 H229 Y483 R488 G496 R497 F618Q166-L486 HydrophobicContact CG-CD1 4.24Å; Q166-L486 HydrophobicContact CG-CD2 4.36Å; Q166-L486 HydrophobicContact CG-CG 3.93Å; F170-L486 HydrophobicContact CE1-CD2 4.26Å; F170-L486 WeakPolarHBondContact CE2-O 3.31Å; F170-L486 HydrophobicContact CZ-CB 4.3Å; F170-L486 HydrophobicContact CZ-CD2 3.89Å; F170-L486 HydrophobicContact CZ-CG 3.93Å; H229-L486 HydrophobicContact CB-CD2 3.92Å; Y483-L486 HydrophobicContact CD1-CB 4.49Å; Y483-L486 HydrophobicContact CD1-CD2 3.82Å; Y483-L486 HydrophobicContact CE1-CD2 4.04Å; Y483-L486 VanDerWaalsContact O-CB 3.22Å; Y483-L486 WeakPolarHBondContact O-CB 3.34Å; Y483-L486 PolarHBondContact O-N 2.79Å; L486-R488 VanDerWaalsContact C-N 3.29Å; L486-R488 PolarHBondContact O-N 3.48Å; L486-G496 CarbonylContact O-C 3.55Å; L486-G496 WeakPolarHBondContact O-CA 3.21Å; L486-R497 PolarHBondContact O-N 2.97Å; L486-F618 HydrophobicContact CB-CE1 4.37Å; L486-F618 HydrophobicContact CB-CE2 4.19Å; L486-F618 HydrophobicContact CB-CZ 4.08Å; L486-F618 HydrophobicContact CD1-CB 4.44Å; L486-F618 HydrophobicContact CD1-CD1 3.64Å; L486-F618 HydrophobicContact CD1-CD2 4.41Å; L486-F618 HydrophobicContact CD1-CE1 3.89Å; L486-F618 HydrophobicContact CD1-CG 3.92Å; L486-F618 HydrophobicContact CD1-CZ 4.39Å
487G92.7Very high92.4Very high12 Ų1234.6 Ų34.612%0.12417%0.167CC..THydrogen-bonded Turntrans77.27.1178.400000115N167 N489N167-G487 PolarHBondContact ND2-O 2.85Å; G487-N489 PolarHBondContact O-N 3.23Å
488R92.7Very high92.5Very high89 Ų8934.3 Ų34.334%0.33617%0.167SC..  trans-64.7133.6174.7-172.6178.5-177.8-174.23.3110.6K485 L486 L494 D630K485-R488 WeakPolarHBondContact O-CB 3.27Å; K485-R488 PolarHBondContact O-N 3.2Å; L486-R488 VanDerWaalsContact C-N 3.29Å; L486-R488 PolarHBondContact O-N 3.48Å; R488-L494 WeakPolarHBondContact CA-O 3.09Å; R488-D630 IonicContact CZ-OD2 3.94Å; R488-D630 IonicContact NH1-OD2 3.07Å; R488-D630 PolarHBondContact NH1-OD2 3.12Å; R488-D630 IonicContact NH2-OD1 3.58Å; R488-D630 IonicContact NH2-OD2 3.67Å; R488-D630 PolarHBondContact NH2-OD2 3.22Å
489N92.9Very high92.3Very high17 Ų1738.7 Ų38.79%0.09119%0.185CC..BIsolated β-bridgetrans-146.7115.1177.5-174.6-68.1000110.7D160 A163 G487 N491 M492 K493 L494D160-N489 PolarHBondContact OD1-ND2 2.8Å; A163-N489 HydrophobicContact CB-CB 3.88Å; G487-N489 PolarHBondContact O-N 3.23Å; N489-N491 WeakPolarHBondContact OD1-CB 3.42Å; N489-N491 PolarHBondContact OD1-N 3.39Å; N489-N491 VanDerWaalsContact OD1-N 3.09Å; N489-M492 HydrophobicContact CB-CE 3.94Å; N489-M492 VanDerWaalsContact CG-CE 3.46Å; N489-M492 PolarHBondContact OD1-N 2.99Å; N489-K493 PolarHBondContact O-N 3.36Å; N489-K493 VanDerWaalsContact O-N 3.11Å; N489-L494 HydrophobicContact CB-CB 4.22Å; N489-L494 HydrophobicContact CB-CD1 4.49Å; N489-L494 PolarHBondContact N-O 2.93Å; N489-L494 PolarHBondContact O-N 3.41Å
490K90Very high91.9Very high100 Ų10040.4 Ų40.444%0.43519%0.191SC..THydrogen-bonded Turntrans-70.2-39.1-177.7-68.4177.5-177152.20112.7M492 K493 E625K490-M492 VanDerWaalsContact C-N 3.25Å; K490-M492 PolarHBondContact O-N 3.09Å; K490-K493 PolarHBondContact O-N 3.28Å; K490-K493 VanDerWaalsContact O-N 3.12Å; K490-E625 WeakPolarHBondContact CD-OE2 3.5Å; K490-E625 WeakPolarHBondContact CE-OE2 3.4Å; K490-E625 VanDerWaalsContact NZ-CD 3.28Å; K490-E625 IonicContact NZ-OE1 3.2Å; K490-E625 IonicContact NZ-OE2 3.53Å; K490-E625 PolarHBondContact NZ-OE2 2.91Å
491N91.3Very high91.5Very high128 Ų12841.6 Ų41.668%0.68420%0.196SC*.THydrogen-bonded Turntrans-58.2-39.4-178.9-63.9-26.7000112D160 N489D160-N491 PolarHBondContact OD1-ND2 3.44Å; N489-N491 WeakPolarHBondContact OD1-CB 3.42Å; N489-N491 PolarHBondContact OD1-N 3.39Å; N489-N491 VanDerWaalsContact OD1-N 3.09Å
492M94.4Very high91.5Very high28 Ų2839 Ų3914%0.13819%0.185CC..THydrogen-bonded Turntrans-99.74.3179.8-62.8-173.9-71.300114M93 V96 D160 A163 F164 N489 K490 L494M93-M492 HydrophobicContact CE-SD 3.97Å; V96-M492 HydrophobicContact CG2-CB 4.16Å; D160-M492 HydrophobicContact CB-CE 3.98Å; D160-M492 HydrophobicContact CB-SD 4.41Å; D160-M492 WeakPolarHBondContact O-CE 3.33Å; A163-M492 HydrophobicContact CB-CE 4.14Å; F164-M492 HydrophobicContact CB-CE 4.09Å; F164-M492 HydrophobicContact CB-SD 4.21Å; N489-M492 HydrophobicContact CB-CE 3.94Å; N489-M492 VanDerWaalsContact CG-CE 3.46Å; N489-M492 PolarHBondContact OD1-N 2.99Å; K490-M492 VanDerWaalsContact C-N 3.25Å; K490-M492 PolarHBondContact O-N 3.09Å; M492-L494 HydrophobicContact CB-CD1 4.1Å; M492-L494 HydrophobicContact CB-CG 4.09Å; M492-L494 HydrophobicContact CE-CD1 3.73Å; M492-L494 PolarHBondContact O-N 3.36Å; M492-L494 HydrophobicContact SD-CD1 4.37Å
493K95.3Very high91.4Very high167 Ų16740.3 Ų40.373%0.72620%0.198SC*.THydrogen-bonded Turntrans56.630.9-176.4-54.6177-179.3175.50114.4N489 K490N489-K493 PolarHBondContact O-N 3.36Å; N489-K493 VanDerWaalsContact O-N 3.11Å; K490-K493 PolarHBondContact O-N 3.28Å; K490-K493 VanDerWaalsContact O-N 3.12Å
494L95.4Very high91.4Very high4 Ų440.5 Ų40.52%0.02120%0.199CC..BIsolated β-bridgetrans-85.1125.3176.3-67.4171000110.2V96 E100 F164 N167 R488 N489 M492 G496V96-L494 HydrophobicContact CG2-CD1 4.05Å; V96-L494 HydrophobicContact CG2-CD2 3.63Å; V96-L494 HydrophobicContact CG2-CG 3.88Å; E100-L494 HydrophobicContact CB-CD2 4.28Å; E100-L494 WeakPolarHBondContact OE2-CA 3.45Å; F164-L494 HydrophobicContact CD2-CD1 4.49Å; N167-L494 HydrophobicContact CB-CD1 4.24Å; N167-L494 HydrophobicContact CB-CD2 4.3Å; R488-L494 WeakPolarHBondContact CA-O 3.09Å; N489-L494 HydrophobicContact CB-CB 4.22Å; N489-L494 HydrophobicContact CB-CD1 4.49Å; N489-L494 PolarHBondContact N-O 2.93Å; N489-L494 PolarHBondContact O-N 3.41Å; M492-L494 HydrophobicContact CB-CD1 4.1Å; M492-L494 HydrophobicContact CB-CG 4.09Å; M492-L494 HydrophobicContact CE-CD1 3.73Å; M492-L494 PolarHBondContact O-N 3.36Å; M492-L494 HydrophobicContact SD-CD1 4.37Å; L494-G496 VanDerWaalsContact C-N 3.32Å; L494-G496 PolarHBondContact O-N 3.31Å
495S94.2Very high91.5Very high27 Ų2739.6 Ų39.619%0.18919%0.192CC..  trans-77.4-16.1-177.663.40000114.4E100 K103E100-S495 WeakPolarHBondContact OE1-CB 3.23Å; E100-S495 PolarHBondContact OE1-OG 3.46Å; E100-S495 PolarHBondContact OE2-N 2.96Å; E100-S495 PolarHBondContact OE2-OG 3.12Å; K103-S495 PolarHBondContact NZ-OG 3.29Å
496G93Very high91.7Very high0 Ų037.6 Ų37.60%018%0.183CC..  trans91.7-161.6-17100000113.1K103 L486 L494K103-G496 PolarHBondContact NZ-O 2.97Å; L486-G496 CarbonylContact O-C 3.55Å; L486-G496 WeakPolarHBondContact O-CA 3.21Å; L494-G496 VanDerWaalsContact C-N 3.32Å; L494-G496 PolarHBondContact O-N 3.31Å
497R93.1Very high91.9Very high5 Ų537.2 Ų37.22%0.01918%0.181CC..SBendtrans-65.6131.8179.6-165.6-179.1171.9-103.75.8110.4F170 E173 E234 Y483 A484 L486 R500F170-R497 HydrophobicContact CD1-CB 4.2Å; F170-R497 HydrophobicContact CD1-CG 3.85Å; F170-R497 HydrophobicContact CD2-CB 4.14Å; F170-R497 HydrophobicContact CE1-CB 3.81Å; F170-R497 HydrophobicContact CE1-CG 3.76Å; F170-R497 HydrophobicContact CE2-CB 3.74Å; F170-R497 HydrophobicContact CE2-CG 4.44Å; F170-R497 VanDerWaalsContact CE2-N 3.34Å; F170-R497 HydrophobicContact CG-CB 4.38Å; F170-R497 HydrophobicContact CG-CG 4.26Å; F170-R497 HydrophobicContact CZ-CB 3.56Å; F170-R497 HydrophobicContact CZ-CG 4.07Å; E173-R497 IonicContact OE2-NE 3.08Å; E234-R497 IonicContact OE1-NH2 3.69Å; E234-R497 PolarHBondContact OE1-NH2 3.5Å; Y483-R497 WeakPolarHBondContact O-CB 3.4Å; A484-R497 WeakPolarHBondContact CA-O 3.32Å; L486-R497 PolarHBondContact O-N 2.97Å; R497-R500 PolarHBondContact NH1-O 3.28Å
498P90.4Very high92.1Very high11 Ų1136.7 Ų36.77%0.07118%0.176CC..  trans-57146.3168.7-2435.2000110.9K103 R500K103-P498 HydrophobicContact CB-CG 3.81Å; K103-P498 HydrophobicContact CD-CG 4.41Å; P498-R500 PolarHBondContact O-N 3.3Å
499Y87.1Confident92.2Very high94 Ų9432.6 Ų32.637%0.36916%0.16SC..  trans-61.8115.4174.2-179.3-91.9000109.6H481H481-Y499 AromaticContact CD2-CE2 3.79Å; H481-Y499 AromaticContact CE1-CE2 3.58Å; H481-Y499 AromaticContact CG-CE2 3.89Å; H481-Y499 AromaticContact ND1-CD2 3.95Å; H481-Y499 AromaticContact ND1-CE2 3.76Å; H481-Y499 AromaticContact NE2-CE2 3.61Å
500R84.9Confident92.4Very high36 Ų3632 Ų3214%0.13616%0.157CC..  trans-146.4148.3176.9-60.9178.3-171.9160.910.8108.8K103 E173 S480 R497 P498K103-R500 PolarHBondContact O-NH2 3.31Å; E173-R500 VanDerWaalsContact CD-NH1 3.3Å; E173-R500 IonicContact OE1-CZ 2.64Å; E173-R500 IonicContact OE1-NH1 3.35Å; E173-R500 PolarHBondContact OE1-NH1 2.74Å; E173-R500 IonicContact OE1-NH2 3.69Å; S480-R500 WeakPolarHBondContact CB-O 3.47Å; S480-R500 PolarHBondContact OG-O 3.47Å; S480-R500 VanDerWaalsContact OG-O 3.05Å; R497-R500 PolarHBondContact NH1-O 3.28Å; P498-R500 PolarHBondContact O-N 3.3Å
501H83.6Confident92.7Very high24 Ų2427.2 Ų27.211%0.11114%0.136CC..  trans-63.1153.2178.5-69.1-67.8000111.5S480 E835S480-H501 WeakPolarHBondContact OG-CA 3.08Å; H501-E835 IonicContact CD2-OE2 3.34Å; H501-E835 IonicContact CE1-OE2 3.91Å; H501-E835 WeakPolarHBondContact NE2-CB 3.35Å; H501-E835 VanDerWaalsContact NE2-CG 3.34Å; H501-E835 WeakPolarHBondContact NE2-CG 3.43Å; H501-E835 IonicContact NE2-OE1 3.89Å; H501-E835 IonicContact NE2-OE2 3Å; H501-E835 PolarHBondContact NE2-OE2 3.34Å
502I89.6Confident92.8Very high1 Ų122 Ų221%0.00511%0.109CC..  trans-111.7123.6174.8-66.2169.6000106.6L231 L479 S480 Y483 T507 Q523L231-I502 HydrophobicContact CD1-CG1 4.06Å; L231-I502 HydrophobicContact CD2-CD1 4.24Å; L231-I502 HydrophobicContact CD2-CG1 4.28Å; L231-I502 HydrophobicContact CD2-CG2 4.38Å; L479-I502 HydrophobicContact CB-CD1 4.15Å; L479-I502 HydrophobicContact CD2-CB 4.4Å; L479-I502 HydrophobicContact CD2-CD1 3.94Å; L479-I502 HydrophobicContact CD2-CG2 3.93Å; L479-I502 HydrophobicContact CG-CD1 3.55Å; S480-I502 PolarHBondContact OG-N 3.21Å; Y483-I502 HydrophobicContact CD2-CD1 3.38Å; Y483-I502 HydrophobicContact CE2-CD1 4.04Å; Y483-I502 HydrophobicContact CG-CD1 3.96Å; I502-T507 HydrophobicContact CG2-CG2 4.34Å; I502-Q523 WeakPolarHBondContact O-CG 3.35Å; I502-Q523 PolarHBondContact O-NE2 3.06Å
503G90.4Very high92.6Very high28 Ų2820.7 Ų20.729%0.28910%0.102SC..  trans-75.5-169.1-175.400000113D233 L505 G506 T507D233-G503 WeakPolarHBondContact OD1-CA 3.3Å; D233-G503 PolarHBondContact OD2-N 2.96Å; G503-L505 VanDerWaalsContact C-N 3.31Å; G503-L505 PolarHBondContact O-N 3.26Å; G503-G506 PolarHBondContact O-N 2.89Å; G503-T507 PolarHBondContact O-N 3.5Å; G503-T507 PolarHBondContact O-OG1 3.43Å
504V93.1Very high92.2Very high7 Ų714.8 Ų14.84%0.0428%0.076CC..Hα-helixtrans-69.7-28.7-174.877.50000112.6D233 T507 S508 E546 Y549 L550 L562D233-V504 PolarHBondContact OD1-N 3.04Å; V504-T507 WeakPolarHBondContact CA-OG1 3.4Å; V504-S508 WeakPolarHBondContact O-CB 3.47Å; V504-S508 PolarHBondContact O-N 2.99Å; V504-S508 PolarHBondContact O-OG 3.5Å; V504-E546 WeakPolarHBondContact CB-OE2 3.47Å; V504-E546 WeakPolarHBondContact CG1-OE2 3.47Å; V504-E546 HydrophobicContact CG2-CB 4.22Å; V504-Y549 HydrophobicContact CG1-CD1 3.54Å; V504-Y549 HydrophobicContact CG1-CE1 4Å; V504-L550 HydrophobicContact CB-CD2 4.49Å; V504-L550 HydrophobicContact CG1-CD2 3.88Å; V504-L550 HydrophobicContact CG1-CG 3.95Å; V504-L550 HydrophobicContact CG2-CD1 3.86Å; V504-L550 HydrophobicContact CG2-CD2 4.1Å; V504-L550 HydrophobicContact CG2-CG 3.96Å; V504-L562 HydrophobicContact CG2-CD1 4.09Å
505L94.6Very high91.8Very high3 Ų322.1 Ų22.12%0.01612%0.115CC..Hα-helixtrans-67-40.4177.5-66.1168000110.3P232 D233 E236 G503 Y549 L550 C553 W554P232-L505 HydrophobicContact CB-CB 4.03Å; P232-L505 HydrophobicContact CB-CD1 4.43Å; P232-L505 HydrophobicContact CG-CB 3.7Å; D233-L505 WeakPolarHBondContact OD1-CB 3.34Å; D233-L505 PolarHBondContact OD1-N 3.11Å; D233-L505 VanDerWaalsContact OD1-N 3.09Å; E236-L505 HydrophobicContact CB-CD1 3.73Å; E236-L505 HydrophobicContact CG-CD1 4.13Å; G503-L505 VanDerWaalsContact C-N 3.31Å; G503-L505 PolarHBondContact O-N 3.26Å; L505-Y549 HydrophobicContact CD1-CE1 4.01Å; L505-Y549 HydrophobicContact CG-CE1 3.96Å; L505-L550 HydrophobicContact CD2-CD2 4.07Å; L505-C553 HydrophobicContact CD1-CB 4.47Å; L505-C553 HydrophobicContact CD2-CB 4.26Å; L505-W554 HydrophobicContact CD2-CE3 3.89Å; L505-W554 WeakPolarHBondContact O-CZ3 3.48Å
506G94.8Very high91.7Very high0 Ų024.3 Ų24.30%012%0.122CC..Hα-helixtrans-71.5-44.7173.700000113.3D233 G503 S508 Y511D233-G506 PolarHBondContact OD2-N 3.41Å; G503-G506 PolarHBondContact O-N 2.89Å; G506-S508 VanDerWaalsContact C-N 3.32Å; G506-S508 PolarHBondContact O-N 3.21Å; G506-Y511 WeakPolarHBondContact O-CE2 3.42Å; G506-Y511 PolarHBondContact O-OH 3.33Å
507T96Very high91.8Very high1 Ų126.4 Ų26.41%0.00613%0.133CC..Hα-helixtrans-72.3-22.3-177.150.80000113.8L479 I502 G503 V504 K509 F520L479-T507 HydrophobicContact CD2-CG2 4.36Å; I502-T507 HydrophobicContact CG2-CG2 4.34Å; G503-T507 PolarHBondContact O-N 3.5Å; G503-T507 PolarHBondContact O-OG1 3.43Å; V504-T507 WeakPolarHBondContact CA-OG1 3.4Å; T507-K509 PolarHBondContact O-N 3.22Å; T507-F520 HydrophobicContact CG2-CB 4.33Å
508S97.1Very high92Very high1 Ų126.2 Ų26.21%0.00713%0.132CC..THydrogen-bonded Turntrans-85.122.6179-54.30000114.6V504 G506 L550 W554 T561V504-S508 WeakPolarHBondContact O-CB 3.47Å; V504-S508 PolarHBondContact O-N 2.99Å; V504-S508 PolarHBondContact O-OG 3.5Å; G506-S508 VanDerWaalsContact C-N 3.32Å; G506-S508 PolarHBondContact O-N 3.21Å; S508-L550 WeakPolarHBondContact OG-CD1 3.07Å; S508-W554 WeakPolarHBondContact O-CH2 3.23Å; S508-T561 CarbonylContact C-O 3.44Å; S508-T561 VanDerWaalsContact CA-O 3.25Å; S508-T561 WeakPolarHBondContact CA-O 3.34Å; S508-T561 PolarHBondContact O-N 3.03Å
509K95.6Very high92.3Very high3 Ų325.7 Ų25.71%0.01313%0.129CC..SBendtrans-104.7157.2174-60178179.8-169.80110.5T507 Y511 W554 M556 F612 T614T507-K509 PolarHBondContact O-N 3.22Å; K509-Y511 HydrophobicContact CB-CD2 4.27Å; K509-Y511 HydrophobicContact CB-CE2 3.68Å; K509-W554 HydrophobicContact CG-CH2 3.89Å; K509-W554 HydrophobicContact CG-CZ3 4.49Å; K509-M556 WeakPolarHBondContact CE-SD 2.98Å; K509-M556 PolarHBondContact NZ-SD 2.74Å; K509-M556 VanDerWaalsContact NZ-SD 3.41Å; K509-F612 HydrophobicContact CB-CD1 4.14Å; K509-F612 HydrophobicContact CD-CD1 3.86Å; K509-F612 HydrophobicContact CD-CE1 3.8Å; K509-F612 HydrophobicContact CG-CD1 3.76Å; K509-F612 HydrophobicContact CG-CE1 4.24Å; K509-T614 HydrophobicContact CD-CG2 4.17Å
510L96.4Very high92.8Very high3 Ų321.2 Ų21.22%0.01611%0.111CC..EExtended strand (participates in β ladder)trans-91.2135.4161.2-60.8-177.1000109.5I517 L608 F612 Y613 T614L510-I517 HydrophobicContact CB-CG2 4.34Å; L510-L608 HydrophobicContact CD1-CD2 3.76Å; L510-F612 PolarHBondContact N-O 2.91Å; L510-Y613 HydrophobicContact CB-CD1 3.75Å; L510-Y613 HydrophobicContact CB-CE1 3.76Å; L510-Y613 HydrophobicContact CB-CG 4.29Å; L510-Y613 HydrophobicContact CD1-CE1 3.8Å; L510-Y613 HydrophobicContact CD1-CE2 4.12Å; L510-Y613 HydrophobicContact CG-CE1 4.46Å; L510-Y613 VanDerWaalsContact O-CA 3.3Å; L510-Y613 WeakPolarHBondContact O-CA 3.34Å; L510-T614 PolarHBondContact O-N 3.48Å
511Y95.7Very high93.3Very high0 Ų020.1 Ų20.10%011%0.108CC..EExtended strand (participates in β ladder)trans-112.7130-177.4-70.8-94.4000109.6L479 Y483 G506 K509 I517 F518 F520 T614 L616L479-Y511 HydrophobicContact CD1-CD1 4.14Å; L479-Y511 HydrophobicContact CD1-CE1 3.86Å; L479-Y511 HydrophobicContact CD1-CE2 4.24Å; L479-Y511 HydrophobicContact CD1-CG 4.47Å; L479-Y511 HydrophobicContact CD2-CE1 4.38Å; L479-Y511 HydrophobicContact CD2-CE2 3.77Å; L479-Y511 WeakPolarHBondContact CD2-OH 3.42Å; Y483-Y511 AromaticContact CE2-CE1 3.91Å; Y483-Y511 HydrophobicContact CE2-CE1 3.91Å; G506-Y511 WeakPolarHBondContact O-CE2 3.42Å; G506-Y511 PolarHBondContact O-OH 3.33Å; K509-Y511 HydrophobicContact CB-CD2 4.27Å; K509-Y511 HydrophobicContact CB-CE2 3.68Å; Y511-I517 CarbonylContact O-C 3.59Å; Y511-I517 WeakPolarHBondContact O-CA 3.4Å; Y511-F518 PolarHBondContact N-O 3.37Å; Y511-F518 PolarHBondContact O-N 3.07Å; Y511-F520 AromaticContact CD2-CD2 3.48Å; Y511-F520 HydrophobicContact CD2-CD2 3.48Å; Y511-F520 VanDerWaalsContact CD2-CD2 3.48Å; Y511-F520 AromaticContact CD2-CE2 3.54Å; Y511-F520 HydrophobicContact CD2-CE2 3.54Å; Y511-F520 AromaticContact CE2-CD2 3.79Å; Y511-F520 HydrophobicContact CE2-CD2 3.79Å; Y511-F520 HydrophobicContact CE2-CE2 4.16Å; Y511-F520 HydrophobicContact CG-CD2 4.23Å; Y511-F520 AromaticContact CG-CE2 3.81Å; Y511-F520 HydrophobicContact CG-CE2 3.81Å; Y511-T614 WeakPolarHBondContact CA-O 3.38Å; Y511-T614 HydrophobicContact CD1-CG2 3.26Å; Y511-T614 HydrophobicContact CE1-CG2 3.23Å; Y511-T614 HydrophobicContact CG-CG2 4.02Å; Y511-L616 HydrophobicContact CD1-CD1 3.68Å; Y511-L616 HydrophobicContact CD1-CD2 3.93Å; Y511-L616 HydrophobicContact CD1-CG 3.81Å; Y511-L616 HydrophobicContact CE1-CD1 4.27Å; Y511-L616 HydrophobicContact CE1-CD2 4.19Å; Y511-L616 HydrophobicContact CE1-CG 4.5Å
512V93.9Very high93.7Very high18 Ų1819 Ų1911%0.10910%0.104CC..EExtended strand (participates in β ladder)trans-101.2116.4170.9-173.80000108.5Q516 Y613 T614 Y615 L616V512-Q516 WeakPolarHBondContact CA-O 3.26Å; V512-Y613 HydrophobicContact CG2-CD1 3.76Å; V512-Y613 HydrophobicContact CG2-CE1 4.39Å; V512-T614 PolarHBondContact N-O 3.08Å; V512-Y615 HydrophobicContact CB-CD1 3.56Å; V512-Y615 HydrophobicContact CB-CE1 3.78Å; V512-Y615 HydrophobicContact CB-CG 4.24Å; V512-Y615 HydrophobicContact CG1-CD1 3.85Å; V512-Y615 HydrophobicContact CG1-CE1 3.92Å; V512-Y615 HydrophobicContact CG2-CD1 4.03Å; V512-Y615 HydrophobicContact CG2-CE1 3.77Å; V512-L616 PolarHBondContact O-N 3.5Å
513I90.9Very high93.6Very high1 Ų120.7 Ų20.71%0.00511%0.111CC..EExtended strand (participates in β ladder)trans-128.8122.2179.9-45.4179.9000107.3I482 N515 Q516 F518 L616 L619 L660I482-I513 HydrophobicContact CD1-CD1 4.12Å; I513-N515 PolarHBondContact O-N 2.89Å; I513-N515 VanDerWaalsContact O-N 3.13Å; I513-Q516 PolarHBondContact N-O 3.32Å; I513-Q516 PolarHBondContact O-N 3.39Å; I513-F518 HydrophobicContact CB-CD2 3.94Å; I513-F518 HydrophobicContact CB-CE2 3.81Å; I513-F518 HydrophobicContact CD1-CD2 3.86Å; I513-F518 HydrophobicContact CD1-CE2 4.16Å; I513-F518 HydrophobicContact CD1-CG 4.12Å; I513-F518 HydrophobicContact CG1-CD2 3.87Å; I513-F518 HydrophobicContact CG1-CE2 4.2Å; I513-L616 HydrophobicContact CD1-CD1 3.9Å; I513-L616 HydrophobicContact CG1-CB 4.15Å; I513-L616 HydrophobicContact CG1-CD1 4.12Å; I513-L616 HydrophobicContact CG1-CG 4.28Å; I513-L619 HydrophobicContact CD1-CD1 4.42Å; I513-L619 HydrophobicContact CG2-CB 4.1Å; I513-L619 HydrophobicContact CG2-CD1 3.55Å; I513-L619 HydrophobicContact CG2-CG 4.47Å; I513-L660 HydrophobicContact CG2-CD2 3.58Å
514R86.6Confident93.5Very high44 Ų4421 Ų2117%0.16611%0.105CC..THydrogen-bonded Turntrans48.142.8-178.5-61.1-179178.5-169.9-4.4113.1Q516 L619 D658R514-Q516 PolarHBondContact O-N 3.02Å; R514-L619 PolarHBondContact NE-O 3.21Å; R514-L619 PolarHBondContact NH2-O 2.71Å; R514-D658 IonicContact CZ-OD1 3.54Å; R514-D658 IonicContact NH1-OD1 3.88Å; R514-D658 PolarHBondContact NH1-OD1 3.42Å; R514-D658 IonicContact NH1-OD2 3.53Å
515N86.9Confident93.2Very high157 Ų15721.3 Ų21.384%0.8411%0.107SC*.THydrogen-bonded Turntrans6315.6-177.9-155.149.1000115.7I513I513-N515 PolarHBondContact O-N 2.89Å; I513-N515 VanDerWaalsContact O-N 3.13Å
516Q92.1Very high92.7Very high73 Ų7321.9 Ų21.934%0.34111%0.11SC..EExtended strand (participates in β ladder)trans-107.7145.3170.5-63.1-177.54.500110.4V512 I513 R514 F518V512-Q516 WeakPolarHBondContact CA-O 3.26Å; I513-Q516 PolarHBondContact N-O 3.32Å; I513-Q516 PolarHBondContact O-N 3.39Å; R514-Q516 PolarHBondContact O-N 3.02Å; Q516-F518 HydrophobicContact CB-CD2 4.39Å; Q516-F518 HydrophobicContact CB-CE2 3.84Å
517I95.8Very high91.8Very high44 Ų4423.9 Ų23.923%0.22612%0.119CC..EExtended strand (participates in β ladder)trans-93127.1178.4-56.9174.3000109I471 R472 L510 Y511 L608 Y613I471-I517 WeakPolarHBondContact CA-O 3.36Å; I471-I517 HydrophobicContact CG2-CG2 4.19Å; R472-I517 PolarHBondContact N-O 3.42Å; L510-I517 HydrophobicContact CB-CG2 4.34Å; Y511-I517 CarbonylContact O-C 3.59Å; Y511-I517 WeakPolarHBondContact O-CA 3.4Å; I517-L608 HydrophobicContact CD1-CD2 4.13Å; I517-Y613 HydrophobicContact CD1-CE1 4.24Å; I517-Y613 HydrophobicContact CG2-CE1 4.39Å
518F96.8Very high90.6Very high1 Ų128 Ų280%0.00414%0.138CC..EExtended strand (participates in β ladder)trans-113.4144.3174.1-70.9-104.4000110.3R472 Q474 Y511 I513 Q516 F520 I664R472-F518 HydrophobicContact CB-CD1 3.67Å; R472-F518 HydrophobicContact CB-CE1 3.78Å; R472-F518 HydrophobicContact CB-CG 4.16Å; R472-F518 HydrophobicContact CB-CZ 4.35Å; R472-F518 HydrophobicContact CG-CE1 4.4Å; R472-F518 CarbonylContact O-C 3.54Å; R472-F518 VanDerWaalsContact O-CA 3.28Å; R472-F518 WeakPolarHBondContact O-CA 3.47Å; Q474-F518 HydrophobicContact CG-CD1 4.02Å; Q474-F518 HydrophobicContact CG-CE1 4.27Å; Y511-F518 PolarHBondContact N-O 3.37Å; Y511-F518 PolarHBondContact O-N 3.07Å; I513-F518 HydrophobicContact CB-CD2 3.94Å; I513-F518 HydrophobicContact CB-CE2 3.81Å; I513-F518 HydrophobicContact CD1-CD2 3.86Å; I513-F518 HydrophobicContact CD1-CE2 4.16Å; I513-F518 HydrophobicContact CD1-CG 4.12Å; I513-F518 HydrophobicContact CG1-CD2 3.87Å; I513-F518 HydrophobicContact CG1-CE2 4.2Å; Q516-F518 HydrophobicContact CB-CD2 4.39Å; Q516-F518 HydrophobicContact CB-CE2 3.84Å; F518-F520 HydrophobicContact CB-CE2 3.78Å; F518-F520 HydrophobicContact CB-CZ 4.03Å; F518-F520 HydrophobicContact CD1-CZ 4.35Å; F518-F520 HydrophobicContact CG-CZ 4.49Å; F518-I664 HydrophobicContact CE1-CD1 4.07Å; F518-I664 HydrophobicContact CZ-CD1 4.49Å
519T97.1Very high89.3Confident0 Ų030.3 Ų30.30%015%0.149CC..EExtended strand (participates in β ladder)trans-126.8144.8164.1-175.40000108.7I471 R472 V473 Q474 T563 L604I471-T519 HydrophobicContact CG2-CG2 4.08Å; R472-T519 PolarHBondContact O-N 3.47Å; V473-T519 WeakPolarHBondContact CA-O 3.33Å; V473-T519 HydrophobicContact CB-CG2 4.25Å; V473-T519 HydrophobicContact CG1-CG2 4.31Å; V473-T519 HydrophobicContact CG2-CG2 3.78Å; Q474-T519 PolarHBondContact N-O 2.92Å; T519-T563 HydrophobicContact CG2-CG2 4.17Å; T519-T563 PolarHBondContact OG1-OG1 3.38Å; T519-L604 HydrophobicContact CG2-CD1 3.96Å
520F96.6Very high88.7Confident0 Ų030.8 Ų30.80%015%0.151CC..EExtended strand (participates in β ladder)trans-115.3135.5-176.8-64.2-88.1000110.6Q474 I478 L479 I482 T507 Y511 F518Q474-F520 HydrophobicContact CB-CD1 3.69Å; Q474-F520 HydrophobicContact CB-CE1 3.61Å; Q474-F520 HydrophobicContact CG-CE1 4.39Å; Q474-F520 CarbonylContact O-C 3.51Å; Q474-F520 WeakPolarHBondContact O-CA 3.22Å; I478-F520 HydrophobicContact CB-CE1 4.26Å; I478-F520 HydrophobicContact CG2-CE1 4.3Å; L479-F520 HydrophobicContact CB-CD1 3.69Å; L479-F520 HydrophobicContact CB-CD2 4.22Å; L479-F520 HydrophobicContact CB-CE1 3.81Å; L479-F520 HydrophobicContact CB-CE2 4.36Å; L479-F520 HydrophobicContact CB-CG 3.89Å; L479-F520 HydrophobicContact CB-CZ 4.16Å; L479-F520 HydrophobicContact CD1-CD2 3.96Å; L479-F520 HydrophobicContact CD1-CE1 4.32Å; L479-F520 HydrophobicContact CD1-CE2 3.58Å; L479-F520 HydrophobicContact CD1-CG 4.49Å; L479-F520 HydrophobicContact CD1-CZ 3.78Å; L479-F520 HydrophobicContact CD2-CB 4.36Å; L479-F520 HydrophobicContact CD2-CD2 3.92Å; L479-F520 HydrophobicContact CD2-CE2 4.42Å; L479-F520 HydrophobicContact CD2-CG 4.07Å; L479-F520 HydrophobicContact CG-CD2 4.22Å; L479-F520 HydrophobicContact CG-CE2 4.3Å; L479-F520 HydrophobicContact CG-CG 4.35Å; L479-F520 HydrophobicContact CG-CZ 4.47Å; I482-F520 HydrophobicContact CD1-CE1 4.45Å; I482-F520 HydrophobicContact CD1-CZ 4.12Å; T507-F520 HydrophobicContact CG2-CB 4.33Å; Y511-F520 AromaticContact CD2-CD2 3.48Å; Y511-F520 HydrophobicContact CD2-CD2 3.48Å; Y511-F520 VanDerWaalsContact CD2-CD2 3.48Å; Y511-F520 AromaticContact CD2-CE2 3.54Å; Y511-F520 HydrophobicContact CD2-CE2 3.54Å; Y511-F520 AromaticContact CE2-CD2 3.79Å; Y511-F520 HydrophobicContact CE2-CD2 3.79Å; Y511-F520 HydrophobicContact CE2-CE2 4.16Å; Y511-F520 HydrophobicContact CG-CD2 4.23Å; Y511-F520 AromaticContact CG-CE2 3.81Å; Y511-F520 HydrophobicContact CG-CE2 3.81Å; F518-F520 HydrophobicContact CB-CE2 3.78Å; F518-F520 HydrophobicContact CB-CZ 4.03Å; F518-F520 HydrophobicContact CD1-CZ 4.35Å; F518-F520 HydrophobicContact CG-CZ 4.49Å
521T94.9Very high88.2Confident13 Ų1330.6 Ų30.68%0.0815%0.15CC..EExtended strand (participates in β ladder)trans-73.8147177.267.80000110.2V473 Q474 G476 T563 P565V473-T521 HydrophobicContact CG1-CG2 3.86Å; Q474-T521 PolarHBondContact O-N 2.9Å; G476-T521 WeakPolarHBondContact CA-O 3.36Å; G476-T521 PolarHBondContact N-O 2.83Å; T521-T563 HydrophobicContact CG2-CG2 4.47Å; T521-P565 HydrophobicContact CG2-CB 4.42Å; T521-P565 HydrophobicContact CG2-CG 3.79Å
522P92.7Very high87.9Confident2 Ų231.2 Ų31.21%0.01315%0.153CC..  trans-56.9142.5176.4-26.334.2000112.5F524 T525 L562 T563P522-F524 HydrophobicContact CB-CD1 3.52Å; P522-F524 HydrophobicContact CB-CE1 3.28Å; P522-F524 HydrophobicContact CB-CG 4.42Å; P522-F524 HydrophobicContact CB-CZ 4.04Å; P522-F524 HydrophobicContact CG-CE1 3.9Å; P522-F524 HydrophobicContact CG-CZ 4.34Å; P522-F524 PolarHBondContact O-N 2.95Å; P522-F524 VanDerWaalsContact O-N 3.17Å; P522-T525 PolarHBondContact O-N 3.31Å; P522-T525 PolarHBondContact O-OG1 2.78Å; P522-L562 HydrophobicContact CG-CD1 3.9Å; P522-L562 HydrophobicContact CG-CD2 4.09Å; P522-L562 HydrophobicContact CG-CG 3.74Å; P522-T563 WeakPolarHBondContact CD-O 3.28Å
523Q87.6Confident87.5Confident35 Ų3530.6 Ų30.616%0.16415%0.15CC..G310 helixtrans-58.6-32.7-176.9-62-68.11.300113.4G476 I502 T525 D526G476-Q523 PolarHBondContact O-NE2 2.91Å; G476-Q523 VanDerWaalsContact O-NE2 3.16Å; I502-Q523 WeakPolarHBondContact O-CG 3.35Å; I502-Q523 PolarHBondContact O-NE2 3.06Å; Q523-T525 PolarHBondContact O-N 3.39Å; Q523-T525 VanDerWaalsContact O-N 3.07Å; Q523-D526 WeakPolarHBondContact O-CB 3.28Å; Q523-D526 PolarHBondContact O-N 2.96Å
524F87.6Confident87.4Confident34 Ų3431.4 Ų31.415%0.14915%0.154CC..G310 helixtrans-66-11.2179.974.1-99.8000113.8P522 A533 I539 M542 L543 E546 F564P522-F524 HydrophobicContact CB-CD1 3.52Å; P522-F524 HydrophobicContact CB-CE1 3.28Å; P522-F524 HydrophobicContact CB-CG 4.42Å; P522-F524 HydrophobicContact CB-CZ 4.04Å; P522-F524 HydrophobicContact CG-CE1 3.9Å; P522-F524 HydrophobicContact CG-CZ 4.34Å; P522-F524 PolarHBondContact O-N 2.95Å; P522-F524 VanDerWaalsContact O-N 3.17Å; F524-A533 VanDerWaalsContact O-CB 3.24Å; F524-A533 WeakPolarHBondContact O-CB 3.37Å; F524-I539 HydrophobicContact CD2-CG2 4.49Å; F524-I539 HydrophobicContact CE2-CG2 4.11Å; F524-M542 HydrophobicContact CB-CB 4.38Å; F524-M542 HydrophobicContact CB-SD 3.78Å; F524-M542 HydrophobicContact CD2-CB 3.8Å; F524-M542 HydrophobicContact CD2-SD 4.28Å; F524-M542 HydrophobicContact CE2-CB 4.23Å; F524-M542 HydrophobicContact CG-CB 4.04Å; F524-M542 HydrophobicContact CG-SD 4.34Å; F524-L543 HydrophobicContact CE2-CB 4.2Å; F524-L543 HydrophobicContact CZ-CB 3.93Å; F524-L543 HydrophobicContact CZ-CD1 4.02Å; F524-E546 HydrophobicContact CD1-CG 3.93Å; F524-E546 HydrophobicContact CE1-CB 4.17Å; F524-E546 HydrophobicContact CE1-CG 3.93Å; F524-F564 HydrophobicContact CE2-CE2 4.09Å; F524-F564 HydrophobicContact CZ-CD2 4.45Å; F524-F564 HydrophobicContact CZ-CE2 4.37Å
525T88.7Confident87.6Confident15 Ų1529.8 Ų29.89%0.09215%0.149CC..G310 helixtrans-88.9-8.5174.465.40000113P522 Q523 Q527 F564P522-T525 PolarHBondContact O-N 3.31Å; P522-T525 PolarHBondContact O-OG1 2.78Å; Q523-T525 PolarHBondContact O-N 3.39Å; Q523-T525 VanDerWaalsContact O-N 3.07Å; T525-Q527 PolarHBondContact O-N 3.45Å; T525-F564 HydrophobicContact CG2-CD2 4.14Å; T525-F564 HydrophobicContact CG2-CE2 4.04Å
526D82.6Confident87.8Confident14 Ų1422.5 Ų22.58%0.07511%0.11CC..  trans-81.7106.1-177.4-165.8-34.6000111.6R477 Q523 H528 H529R477-D526 WeakPolarHBondContact CD-OD2 3.31Å; R477-D526 IonicContact CZ-OD2 3.97Å; R477-D526 IonicContact NE-OD2 3.09Å; R477-D526 IonicContact NH1-OD1 3.34Å; R477-D526 IonicContact NH1-OD2 3.85Å; R477-D526 PolarHBondContact NH1-OD2 2.68Å; Q523-D526 WeakPolarHBondContact O-CB 3.28Å; Q523-D526 PolarHBondContact O-N 2.96Å; D526-H528 WeakPolarHBondContact OD1-CB 3.37Å; D526-H528 IonicContact OD1-CD2 3.41Å; D526-H528 PolarHBondContact OD1-CD2 2.96Å; D526-H528 IonicContact OD1-CG 3.84Å; D526-H528 PolarHBondContact OD1-N 3.21Å; D526-H529 IonicContact OD1-ND1 2.93Å; D526-H529 PolarHBondContact OD1-ND1 3.05Å; D526-H529 IonicContact OD2-CE1 2.61Å; D526-H529 IonicContact OD2-ND1 3.98Å
527Q76.1Confident87.9Confident42 Ų4222.6 Ų22.620%0.19611%0.11CC..THydrogen-bonded Turntrans-80.1-13-176.5-65.4171.6-5.500114.2T525 H529 A533 L534 T569T525-Q527 PolarHBondContact O-N 3.45Å; Q527-H529 VanDerWaalsContact C-N 3.31Å; Q527-H529 PolarHBondContact O-N 2.98Å; Q527-A533 HydrophobicContact CG-CB 3.98Å; Q527-A533 PolarHBondContact NE2-O 3.29Å; Q527-L534 HydrophobicContact CB-CD2 4.23Å; Q527-L534 HydrophobicContact CG-CD2 3.96Å; Q527-T569 PolarHBondContact NE2-OG1 2.87Å
528H71.1Confident87.7Confident88 Ų8820.5 Ų20.541%0.40710%0.099SC..THydrogen-bonded Turntrans-72.3-29.4-174.9-66.8-85.3000112.1D526 T671D526-H528 WeakPolarHBondContact OD1-CB 3.37Å; D526-H528 IonicContact OD1-CD2 3.41Å; D526-H528 PolarHBondContact OD1-CD2 2.96Å; D526-H528 IonicContact OD1-CG 3.84Å; D526-H528 PolarHBondContact OD1-N 3.21Å; H528-T671 PolarHBondContact CE1-O 2.81Å; H528-T671 PolarHBondContact ND1-O 2.9Å
529H68.8Low87.5Confident50 Ų5020.4 Ų20.423%0.23110%0.099CC..THydrogen-bonded Turntrans-84.7-56-173.7-6680.6000111.7D526 Q527 E835D526-H529 IonicContact OD1-ND1 2.93Å; D526-H529 PolarHBondContact OD1-ND1 3.05Å; D526-H529 IonicContact OD2-CE1 2.61Å; D526-H529 IonicContact OD2-ND1 3.98Å; Q527-H529 VanDerWaalsContact C-N 3.31Å; Q527-H529 PolarHBondContact O-N 2.98Å; H529-E835 HydrophobicContact CB-CG 4.06Å; H529-E835 IonicContact CD2-OE1 2.73Å; H529-E835 PolarHBondContact CD2-OE1 2.84Å
530F83.1Confident87.3Confident12 Ų1221.1 Ų21.15%0.05310%0.103CC..  trans-148.1151.1-172.6-156.6-93.5000113L532 K832 V834 V889F530-L532 VanDerWaalsContact C-N 3.33Å; F530-L532 HydrophobicContact CD1-CB 4.34Å; F530-L532 HydrophobicContact CD1-CD1 4.04Å; F530-L532 HydrophobicContact CD1-CG 3.66Å; F530-L532 HydrophobicContact CE1-CD1 4.21Å; F530-L532 HydrophobicContact CE1-CD2 4.37Å; F530-L532 HydrophobicContact CE1-CG 3.79Å; F530-L532 PolarHBondContact O-N 3.48Å; F530-K832 HydrophobicContact CD2-CB 4.47Å; F530-V834 HydrophobicContact CD1-CG2 3.85Å; F530-V834 HydrophobicContact CD2-CB 4.46Å; F530-V834 HydrophobicContact CD2-CG2 3.84Å; F530-V834 HydrophobicContact CE1-CG2 3.54Å; F530-V834 HydrophobicContact CE2-CG2 3.52Å; F530-V834 HydrophobicContact CG-CG2 3.99Å; F530-V834 HydrophobicContact CZ-CG2 3.36Å; F530-V889 HydrophobicContact CE2-CG1 4.35Å; F530-V889 HydrophobicContact CZ-CG1 3.88Å
531Y87.4Confident87Confident0 Ų022.3 Ų22.30%011%0.109CC..G310 helixtrans-81.8-2.9-164.558.8-92.7000115A533 L534 Y811 W820 I823 R824 V889 E893 P948Y531-A533 PolarHBondContact O-N 2.86Å; Y531-A533 VanDerWaalsContact O-N 3.14Å; Y531-L534 VanDerWaalsContact O-CB 3.31Å; Y531-L534 WeakPolarHBondContact O-CB 3.3Å; Y531-L534 PolarHBondContact O-N 3.24Å; Y531-Y811 WeakPolarHBondContact CA-OH 3.21Å; Y531-Y811 WeakPolarHBondContact CB-OH 3.42Å; Y531-Y811 HydrophobicContact CD1-CE2 4.06Å; Y531-Y811 PolarHBondContact N-OH 3.35Å; Y531-W820 HydrophobicContact CD2-CE3 4.42Å; Y531-W820 HydrophobicContact CD2-CZ3 4.32Å; Y531-I823 HydrophobicContact CD1-CG2 3.42Å; Y531-I823 VanDerWaalsContact CD1-CG2 3.42Å; Y531-I823 HydrophobicContact CD2-CG2 3.98Å; Y531-I823 HydrophobicContact CE1-CG2 4.01Å; Y531-I823 HydrophobicContact CG-CG2 3.39Å; Y531-R824 WeakPolarHBondContact OH-CG 3.39Å; Y531-V889 HydrophobicContact CE1-CG1 3.9Å; Y531-V889 WeakPolarHBondContact OH-CG1 3.4Å; Y531-E893 PolarHBondContact OH-OE1 3.45Å; Y531-P948 HydrophobicContact CD2-CG 4.33Å; Y531-P948 HydrophobicContact CE2-CG 4.34Å
532L88.3Confident86.9Confident13 Ų1322.7 Ų22.77%0.06811%0.11CC..G310 helixtrans-56-32.3177.7-68.4173.7000111.7F530 L534 D535 M542 E893 Y897 P948F530-L532 VanDerWaalsContact C-N 3.33Å; F530-L532 HydrophobicContact CD1-CB 4.34Å; F530-L532 HydrophobicContact CD1-CD1 4.04Å; F530-L532 HydrophobicContact CD1-CG 3.66Å; F530-L532 HydrophobicContact CE1-CD1 4.21Å; F530-L532 HydrophobicContact CE1-CD2 4.37Å; F530-L532 HydrophobicContact CE1-CG 3.79Å; F530-L532 PolarHBondContact O-N 3.48Å; L532-L534 PolarHBondContact O-N 2.75Å; L532-D535 PolarHBondContact O-N 2.85Å; L532-M542 HydrophobicContact CB-CE 3.74Å; L532-M542 HydrophobicContact CD1-CE 3.9Å; L532-M542 HydrophobicContact CG-CE 4.36Å; L532-E893 HydrophobicContact CD2-CG 4.29Å; L532-Y897 HydrophobicContact CD2-CE1 3.99Å; L532-Y897 WeakPolarHBondContact CD2-OH 3.45Å; L532-P948 HydrophobicContact CD2-CB 3.75Å; L532-P948 HydrophobicContact CD2-CG 4.08Å
533A85.8Confident86.9Confident4 Ų422.6 Ų22.63%0.03311%0.11CC..G310 helixtrans-77.46.2177.300000114.5F524 Q527 Y531 I539F524-A533 VanDerWaalsContact O-CB 3.24Å; F524-A533 WeakPolarHBondContact O-CB 3.37Å; Q527-A533 HydrophobicContact CG-CB 3.98Å; Q527-A533 PolarHBondContact NE2-O 3.29Å; Y531-A533 PolarHBondContact O-N 2.86Å; Y531-A533 VanDerWaalsContact O-N 3.14Å; A533-I539 HydrophobicContact CB-CG1 4.5Å; A533-I539 WeakPolarHBondContact O-CD1 3.34Å
534L88.4Confident87.1Confident18 Ų1825.4 Ų25.49%0.09412%0.119CC..G310 helixtrans-96.9-14.1174.2-59.3179.3000112.5Q527 Y531 L532 G815 W820Q527-L534 HydrophobicContact CB-CD2 4.23Å; Q527-L534 HydrophobicContact CG-CD2 3.96Å; Y531-L534 VanDerWaalsContact O-CB 3.31Å; Y531-L534 WeakPolarHBondContact O-CB 3.3Å; Y531-L534 PolarHBondContact O-N 3.24Å; L532-L534 PolarHBondContact O-N 2.75Å; L534-G815 VanDerWaalsContact CD1-CA 3.42Å; L534-W820 HydrophobicContact CB-CH2 4.3Å; L534-W820 HydrophobicContact CB-CZ3 4.42Å
535D91.1Very high87.3Confident11 Ų1124.5 Ų24.56%0.05912%0.115CC..  trans-91.9111.6173.1179.6-10.1000109.6L532 E537 M538 I539 W820 S947 P948 F949L532-D535 PolarHBondContact O-N 2.85Å; D535-E537 VanDerWaalsContact C-N 3.31Å; D535-E537 PolarHBondContact O-N 3.27Å; D535-E537 PolarHBondContact OD1-N 3.22Å; D535-M538 HydrophobicContact CB-CB 3.74Å; D535-M538 WeakPolarHBondContact O-CB 3.36Å; D535-M538 PolarHBondContact O-N 2.87Å; D535-M538 VanDerWaalsContact O-N 3.16Å; D535-M538 PolarHBondContact OD1-N 3.45Å; D535-I539 WeakPolarHBondContact O-CG1 3.44Å; D535-I539 PolarHBondContact O-N 3.01Å; D535-W820 HydrophobicContact CB-CH2 3.78Å; D535-W820 HydrophobicContact CB-CZ2 4.17Å; D535-S947 WeakPolarHBondContact OD2-CB 3.49Å; D535-S947 PolarHBondContact OD2-OG 3.18Å; D535-P948 HydrophobicContact CB-CB 4.17Å; D535-P948 HydrophobicContact CB-CG 3.96Å; D535-P948 WeakPolarHBondContact OD2-CD 3.25Å; D535-F949 WeakPolarHBondContact OD2-CB 3.2Å; D535-F949 PolarHBondContact OD2-N 3.17Å
536N91.7Very high87.4Confident3 Ų325.4 Ų25.42%0.01612%0.118CC..Hα-helixtrans-64.3-32.1-176-71.2-35.7000113.2V540 T569 M570 H579 V582N536-V540 WeakPolarHBondContact O-CG2 3.27Å; N536-V540 PolarHBondContact O-N 2.89Å; N536-T569 PolarHBondContact ND2-O 3.3Å; N536-T569 PolarHBondContact OD1-O 3.47Å; N536-M570 WeakPolarHBondContact OD1-CA 3.32Å; N536-H579 HydrophobicContact CB-CB 4.38Å; N536-V582 HydrophobicContact CB-CG2 4.2Å
537E92.9Very high87.9Confident75 Ų7524.8 Ų24.835%0.3512%0.115SC..Hα-helixtrans-71.4-39.9175-67.1-71.2173.500110.1D535 V540 E541 A581 F949D535-E537 VanDerWaalsContact C-N 3.31Å; D535-E537 PolarHBondContact O-N 3.27Å; D535-E537 PolarHBondContact OD1-N 3.22Å; E537-V540 PolarHBondContact O-N 3.13Å; E537-E541 VanDerWaalsContact O-CB 3.31Å; E537-E541 WeakPolarHBondContact O-CB 3.45Å; E537-E541 PolarHBondContact O-N 3.19Å; E537-A581 HydrophobicContact CG-CB 4.27Å; E537-A581 WeakPolarHBondContact OE1-CB 3.47Å; E537-F949 HydrophobicContact CB-CB 3.88Å; E537-F949 HydrophobicContact CB-CD1 3.78Å; E537-F949 HydrophobicContact CB-CD2 3.83Å; E537-F949 HydrophobicContact CB-CE1 4.21Å; E537-F949 HydrophobicContact CB-CE2 4.28Å; E537-F949 HydrophobicContact CB-CG 3.55Å; E537-F949 HydrophobicContact CB-CZ 4.45Å; E537-F949 HydrophobicContact CG-CD1 4.33Å
538M91.6Very high88.6Confident0 Ų024 Ų240%012%0.115CC..Hα-helixtrans-64-41.5175.4-171.361.7-17900112.2D535 E541 M542 Y897 M900 P948 F949 K952D535-M538 HydrophobicContact CB-CB 3.74Å; D535-M538 WeakPolarHBondContact O-CB 3.36Å; D535-M538 PolarHBondContact O-N 2.87Å; D535-M538 VanDerWaalsContact O-N 3.16Å; D535-M538 PolarHBondContact OD1-N 3.45Å; M538-E541 PolarHBondContact O-N 2.74Å; M538-M542 HydrophobicContact CE-CE 3.38Å; M538-M542 HydrophobicContact CE-CG 4.18Å; M538-M542 HydrophobicContact CE-SD 4.47Å; M538-M542 HydrophobicContact CG-CE 3.96Å; M538-M542 HydrophobicContact CG-CG 4.49Å; M538-M542 HydrophobicContact CG-SD 4.37Å; M538-M542 WeakPolarHBondContact O-CB 3.44Å; M538-M542 VanDerWaalsContact O-CG 3.29Å; M538-M542 WeakPolarHBondContact O-CG 2.89Å; M538-M542 PolarHBondContact O-N 3.4Å; M538-M542 HydrophobicContact SD-CE 4.49Å; M538-Y897 HydrophobicContact CE-CD1 3.86Å; M538-Y897 HydrophobicContact CE-CE1 3.46Å; M538-Y897 VanDerWaalsContact CE-CE1 3.46Å; M538-Y897 HydrophobicContact SD-CE1 4.49Å; M538-M900 HydrophobicContact CE-CE 3.68Å; M538-M900 HydrophobicContact CE-SD 3.67Å; M538-P948 HydrophobicContact CB-CB 4.22Å; M538-P948 HydrophobicContact CG-CB 4.09Å; M538-F949 HydrophobicContact CB-CB 4.33Å; M538-K952 HydrophobicContact CE-CD 4.05Å; M538-K952 HydrophobicContact SD-CD 3.95Å
539I92.6Very high89.5Confident0 Ų021.9 Ų21.90%010%0.104CC..Hα-helixtrans-61-46.1175.9-69.3165.6000111.3F524 A533 D535 E541 M542 L543 F564 M570F524-I539 HydrophobicContact CD2-CG2 4.49Å; F524-I539 HydrophobicContact CE2-CG2 4.11Å; A533-I539 HydrophobicContact CB-CG1 4.5Å; A533-I539 WeakPolarHBondContact O-CD1 3.34Å; D535-I539 WeakPolarHBondContact O-CG1 3.44Å; D535-I539 PolarHBondContact O-N 3.01Å; I539-E541 VanDerWaalsContact C-N 3.26Å; I539-E541 PolarHBondContact O-N 3.15Å; I539-M542 PolarHBondContact O-N 3.32Å; I539-L543 WeakPolarHBondContact O-CB 3.22Å; I539-L543 PolarHBondContact O-N 2.71Å; I539-F564 HydrophobicContact CG2-CE2 3.9Å; I539-F564 HydrophobicContact CG2-CZ 3.85Å; I539-M570 HydrophobicContact CD1-CE 3.88Å; I539-M570 HydrophobicContact CG2-CE 4.19Å
540V93.4Very high90.7Very high15 Ų1519.5 Ų19.59%0.0919%0.093CC..Hα-helixtrans-59.3-42.4177160.40000110.6N536 E537 L543 R544 A581 V582 T585 F594N536-V540 WeakPolarHBondContact O-CG2 3.27Å; N536-V540 PolarHBondContact O-N 2.89Å; E537-V540 PolarHBondContact O-N 3.13Å; V540-L543 PolarHBondContact O-N 3.4Å; V540-R544 WeakPolarHBondContact O-CB 3.4Å; V540-R544 PolarHBondContact O-N 3.27Å; V540-A581 HydrophobicContact CG2-CB 4.39Å; V540-V582 HydrophobicContact CG2-CG2 4.28Å; V540-T585 HydrophobicContact CG1-CG2 4.11Å; V540-T585 WeakPolarHBondContact CG1-OG1 3.31Å; V540-T585 HydrophobicContact CG2-CG2 4.36Å; V540-T585 WeakPolarHBondContact CG2-OG1 3.42Å; V540-F594 HydrophobicContact CG1-CZ 4.44Å
541E91.1Very high91.1Very high24 Ų2420.2 Ų20.211%0.11210%0.1CC..Hα-helixtrans-68.1-39.5178.617660.8-173.500112.5E537 M538 I539 R544 I545 F949 K952E537-E541 VanDerWaalsContact O-CB 3.31Å; E537-E541 WeakPolarHBondContact O-CB 3.45Å; E537-E541 PolarHBondContact O-N 3.19Å; M538-E541 PolarHBondContact O-N 2.74Å; I539-E541 VanDerWaalsContact C-N 3.26Å; I539-E541 PolarHBondContact O-N 3.15Å; E541-R544 WeakPolarHBondContact O-CB 3.23Å; E541-R544 PolarHBondContact O-N 3.02Å; E541-R544 IonicContact OE1-CZ 2.77Å; E541-R544 IonicContact OE1-NE 3.87Å; E541-R544 IonicContact OE1-NH2 2.66Å; E541-R544 PolarHBondContact OE1-NH2 3.02Å; E541-R544 IonicContact OE2-CZ 3.19Å; E541-R544 IonicContact OE2-NE 3.95Å; E541-R544 PolarHBondContact OE2-NE 3.1Å; E541-R544 IonicContact OE2-NH2 3.9Å; E541-R544 PolarHBondContact OE2-NH2 3.49Å; E541-I545 HydrophobicContact CG-CD1 4.34Å; E541-I545 WeakPolarHBondContact O-CG1 3.41Å; E541-I545 PolarHBondContact O-N 3.3Å; E541-I545 VanDerWaalsContact O-N 3.1Å; E541-F949 HydrophobicContact CB-CD2 4.38Å; E541-F949 HydrophobicContact CB-CE2 4.31Å; E541-K952 VanDerWaalsContact CD-NZ 3.33Å; E541-K952 IonicContact OE1-NZ 2.78Å; E541-K952 PolarHBondContact OE1-NZ 2.73Å
542M91.6Very high91.1Very high21 Ų2124.6 Ų24.610%0.10313%0.126CC..Hα-helixtrans-62.4-46.9171.3-72.6176.3169.800110.8F524 L532 M538 I539 R544 I545 E546 M900F524-M542 HydrophobicContact CB-CB 4.38Å; F524-M542 HydrophobicContact CB-SD 3.78Å; F524-M542 HydrophobicContact CD2-CB 3.8Å; F524-M542 HydrophobicContact CD2-SD 4.28Å; F524-M542 HydrophobicContact CE2-CB 4.23Å; F524-M542 HydrophobicContact CG-CB 4.04Å; F524-M542 HydrophobicContact CG-SD 4.34Å; L532-M542 HydrophobicContact CB-CE 3.74Å; L532-M542 HydrophobicContact CD1-CE 3.9Å; L532-M542 HydrophobicContact CG-CE 4.36Å; M538-M542 HydrophobicContact CE-CE 3.38Å; M538-M542 HydrophobicContact CE-CG 4.18Å; M538-M542 HydrophobicContact CE-SD 4.47Å; M538-M542 HydrophobicContact CG-CE 3.96Å; M538-M542 HydrophobicContact CG-CG 4.49Å; M538-M542 HydrophobicContact CG-SD 4.37Å; M538-M542 WeakPolarHBondContact O-CB 3.44Å; M538-M542 VanDerWaalsContact O-CG 3.29Å; M538-M542 WeakPolarHBondContact O-CG 2.89Å; M538-M542 PolarHBondContact O-N 3.4Å; M538-M542 HydrophobicContact SD-CE 4.49Å; I539-M542 PolarHBondContact O-N 3.32Å; M542-R544 VanDerWaalsContact C-N 3.28Å; M542-R544 PolarHBondContact O-N 2.94Å; M542-I545 PolarHBondContact O-N 3.14Å; M542-I545 VanDerWaalsContact O-N 3.15Å; M542-E546 WeakPolarHBondContact O-CB 3.42Å; M542-E546 VanDerWaalsContact O-CG 3.28Å; M542-E546 WeakPolarHBondContact O-CG 3.3Å; M542-E546 PolarHBondContact O-N 3.41Å; M542-M900 HydrophobicContact CG-CE 4.08Å
543L93.6Very high91.1Very high1 Ų124.6 Ų24.61%0.00513%0.127CC..Hα-helixtrans-56.5-43.4175.3177.564.5000111.3F524 I539 V540 I545 E546 L547 L562 F564 T585 L589F524-L543 HydrophobicContact CE2-CB 4.2Å; F524-L543 HydrophobicContact CZ-CB 3.93Å; F524-L543 HydrophobicContact CZ-CD1 4.02Å; I539-L543 WeakPolarHBondContact O-CB 3.22Å; I539-L543 PolarHBondContact O-N 2.71Å; V540-L543 PolarHBondContact O-N 3.4Å; L543-I545 PolarHBondContact O-N 2.67Å; L543-E546 PolarHBondContact O-N 3.38Å; L543-L547 HydrophobicContact CD1-CD1 3.9Å; L543-L547 HydrophobicContact CD1-CD2 4.44Å; L543-L547 HydrophobicContact CD1-CG 3.96Å; L543-L547 HydrophobicContact CG-CD1 3.87Å; L543-L547 HydrophobicContact CG-CG 4.33Å; L543-L547 WeakPolarHBondContact O-CB 3.18Å; L543-L547 WeakPolarHBondContact O-CG 3.41Å; L543-L547 PolarHBondContact O-N 3.49Å; L543-L562 HydrophobicContact CD1-CD1 4.15Å; L543-L562 HydrophobicContact CD1-CD2 3.86Å; L543-F564 HydrophobicContact CD1-CD2 4.16Å; L543-F564 HydrophobicContact CD2-CD1 4.49Å; L543-F564 HydrophobicContact CD2-CD2 4.21Å; L543-F564 HydrophobicContact CD2-CE1 4.39Å; L543-F564 HydrophobicContact CD2-CE2 4.12Å; L543-F564 HydrophobicContact CD2-CG 4.4Å; L543-F564 HydrophobicContact CD2-CZ 4.22Å; L543-T585 HydrophobicContact CD2-CG2 4.18Å; L543-L589 HydrophobicContact CD2-CD1 4.46Å
544R92.9Very high91.4Very high94 Ų9424.8 Ų24.836%0.35513%0.127SC..Hα-helixtrans-57.7-47.9176.3-170.6-179.268.2113.4-4.5112.1V540 E541 M542 A548 F594 G595V540-R544 WeakPolarHBondContact O-CB 3.4Å; V540-R544 PolarHBondContact O-N 3.27Å; E541-R544 WeakPolarHBondContact O-CB 3.23Å; E541-R544 PolarHBondContact O-N 3.02Å; E541-R544 IonicContact OE1-CZ 2.77Å; E541-R544 IonicContact OE1-NE 3.87Å; E541-R544 IonicContact OE1-NH2 2.66Å; E541-R544 PolarHBondContact OE1-NH2 3.02Å; E541-R544 IonicContact OE2-CZ 3.19Å; E541-R544 IonicContact OE2-NE 3.95Å; E541-R544 PolarHBondContact OE2-NE 3.1Å; E541-R544 IonicContact OE2-NH2 3.9Å; E541-R544 PolarHBondContact OE2-NH2 3.49Å; M542-R544 VanDerWaalsContact C-N 3.28Å; M542-R544 PolarHBondContact O-N 2.94Å; R544-A548 PolarHBondContact O-N 2.95Å; R544-F594 HydrophobicContact CB-CD1 4.36Å; R544-F594 HydrophobicContact CB-CE1 3.55Å; R544-F594 HydrophobicContact CB-CZ 3.99Å; R544-F594 HydrophobicContact CG-CD1 4.3Å; R544-F594 HydrophobicContact CG-CE1 3.82Å; R544-F594 HydrophobicContact CG-CZ 4.11Å; R544-G595 VanDerWaalsContact CG-CA 3.44Å
545I89.9Confident91.2Very high15 Ų1528.7 Ų28.78%0.07714%0.141CC..Hα-helixtrans-67-43.9-179.2-71.4164.7000111E541 M542 L543 A548 Y549 M900 R903E541-I545 HydrophobicContact CG-CD1 4.34Å; E541-I545 WeakPolarHBondContact O-CG1 3.41Å; E541-I545 PolarHBondContact O-N 3.3Å; E541-I545 VanDerWaalsContact O-N 3.1Å; M542-I545 PolarHBondContact O-N 3.14Å; M542-I545 VanDerWaalsContact O-N 3.15Å; L543-I545 PolarHBondContact O-N 2.67Å; I545-A548 PolarHBondContact O-N 3.38Å; I545-Y549 WeakPolarHBondContact O-CB 3.42Å; I545-Y549 PolarHBondContact O-N 2.9Å; I545-M900 HydrophobicContact CD1-CB 4.34Å; I545-M900 HydrophobicContact CD1-CE 3.36Å; I545-R903 VanDerWaalsContact CG2-NH2 3.35Å
546E90.9Very high91Very high34 Ų3429.9 Ų29.916%0.15915%0.146CC..Hα-helixtrans-69.7-35.5-178.3-66.7-56.5128.400112V504 F524 M542 L543 Y549 L550 R903V504-E546 WeakPolarHBondContact CB-OE2 3.47Å; V504-E546 WeakPolarHBondContact CG1-OE2 3.47Å; V504-E546 HydrophobicContact CG2-CB 4.22Å; F524-E546 HydrophobicContact CD1-CG 3.93Å; F524-E546 HydrophobicContact CE1-CB 4.17Å; F524-E546 HydrophobicContact CE1-CG 3.93Å; M542-E546 WeakPolarHBondContact O-CB 3.42Å; M542-E546 VanDerWaalsContact O-CG 3.28Å; M542-E546 WeakPolarHBondContact O-CG 3.3Å; M542-E546 PolarHBondContact O-N 3.41Å; L543-E546 PolarHBondContact O-N 3.38Å; E546-Y549 PolarHBondContact O-N 3.32Å; E546-L550 WeakPolarHBondContact O-CB 3.42Å; E546-L550 WeakPolarHBondContact O-CG 3.34Å; E546-L550 PolarHBondContact O-N 2.6Å; E546-R903 IonicContact OE1-CZ 2.79Å; E546-R903 IonicContact OE1-NH2 3.45Å; E546-R903 PolarHBondContact OE1-NH2 3.49Å
547L94Very high90.8Very high0 Ų036.2 Ų36.20%019%0.185CC..Hα-helixtrans-65.1-42.6172.2-71.2172.3000112.1V440 V442 L543 Y549 L550 C551 L562 L589 F594 A597 V599V440-L547 HydrophobicContact CB-CD2 4.23Å; V440-L547 HydrophobicContact CG1-CD2 3.54Å; V442-L547 HydrophobicContact CG2-CD2 3.71Å; L543-L547 HydrophobicContact CD1-CD1 3.9Å; L543-L547 HydrophobicContact CD1-CD2 4.44Å; L543-L547 HydrophobicContact CD1-CG 3.96Å; L543-L547 HydrophobicContact CG-CD1 3.87Å; L543-L547 HydrophobicContact CG-CG 4.33Å; L543-L547 WeakPolarHBondContact O-CB 3.18Å; L543-L547 WeakPolarHBondContact O-CG 3.41Å; L543-L547 PolarHBondContact O-N 3.49Å; L547-Y549 VanDerWaalsContact C-N 3.32Å; L547-L550 PolarHBondContact O-N 2.64Å; L547-C551 WeakPolarHBondContact O-CB 3.3Å; L547-C551 PolarHBondContact O-N 3.28Å; L547-L562 HydrophobicContact CD2-CD1 4.08Å; L547-L589 HydrophobicContact CD1-CD2 3.82Å; L547-F594 HydrophobicContact CD1-CD1 3.76Å; L547-F594 HydrophobicContact CD1-CE1 4.42Å; L547-A597 HydrophobicContact CB-CB 4.23Å; L547-A597 WeakPolarHBondContact O-CB 3.33Å; L547-V599 HydrophobicContact CD1-CG1 4.29Å; L547-V599 HydrophobicContact CD2-CG1 4.5Å
548A91.5Very high90.8Very high25 Ų2534.1 Ų34.121%0.20718%0.184CC..Hα-helixtrans-61.3-43.2173.700000111.3R544 I545 C551 T552R544-A548 PolarHBondContact O-N 2.95Å; I545-A548 PolarHBondContact O-N 3.38Å; A548-C551 PolarHBondContact O-N 2.89Å; A548-T552 WeakPolarHBondContact O-CB 3.5Å; A548-T552 PolarHBondContact O-N 2.61Å; A548-T552 PolarHBondContact O-OG1 3.3Å
549Y89.4Confident90.9Very high44 Ų4438.7 Ų38.717%0.17320%0.201CC..Hα-helixtrans-62-48.8176.8-176.7-106.5000111.8E236 V504 L505 I545 E546 L547 C551 T552 C553E236-Y549 HydrophobicContact CG-CE2 4.11Å; E236-Y549 WeakPolarHBondContact CG-OH 3.18Å; V504-Y549 HydrophobicContact CG1-CD1 3.54Å; V504-Y549 HydrophobicContact CG1-CE1 4Å; L505-Y549 HydrophobicContact CD1-CE1 4.01Å; L505-Y549 HydrophobicContact CG-CE1 3.96Å; I545-Y549 WeakPolarHBondContact O-CB 3.42Å; I545-Y549 PolarHBondContact O-N 2.9Å; E546-Y549 PolarHBondContact O-N 3.32Å; L547-Y549 VanDerWaalsContact C-N 3.32Å; Y549-C551 VanDerWaalsContact C-N 3.32Å; Y549-C551 PolarHBondContact O-N 3.1Å; Y549-T552 PolarHBondContact O-N 3.31Å; Y549-T552 VanDerWaalsContact O-N 3.08Å; Y549-C553 HydrophobicContact CD2-CB 4.46Å; Y549-C553 VanDerWaalsContact CD2-SG 3.56Å; Y549-C553 HydrophobicContact CE2-CB 4.24Å; Y549-C553 WeakPolarHBondContact CE2-SG 3.35Å; Y549-C553 VanDerWaalsContact O-CB 3.3Å; Y549-C553 WeakPolarHBondContact O-CB 3.43Å; Y549-C553 PolarHBondContact O-N 3.38Å
550L92.8Very high91.2Very high0 Ų038.7 Ų38.70%020%0.201CC..Hα-helixtrans-54.9-46.4173.1-75.8173.4000112.1V440 V504 L505 S508 E546 L547 T552 W554 P560 L562V440-L550 HydrophobicContact CG1-CB 4.37Å; V440-L550 HydrophobicContact CG1-CD1 3.75Å; V440-L550 HydrophobicContact CG2-CB 3.9Å; V504-L550 HydrophobicContact CB-CD2 4.49Å; V504-L550 HydrophobicContact CG1-CD2 3.88Å; V504-L550 HydrophobicContact CG1-CG 3.95Å; V504-L550 HydrophobicContact CG2-CD1 3.86Å; V504-L550 HydrophobicContact CG2-CD2 4.1Å; V504-L550 HydrophobicContact CG2-CG 3.96Å; L505-L550 HydrophobicContact CD2-CD2 4.07Å; S508-L550 WeakPolarHBondContact OG-CD1 3.07Å; E546-L550 WeakPolarHBondContact O-CB 3.42Å; E546-L550 WeakPolarHBondContact O-CG 3.34Å; E546-L550 PolarHBondContact O-N 2.6Å; L547-L550 PolarHBondContact O-N 2.64Å; L550-T552 PolarHBondContact O-N 2.68Å; L550-W554 HydrophobicContact CD2-CE3 4.07Å; L550-W554 HydrophobicContact CD2-CZ3 4.33Å; L550-W554 WeakPolarHBondContact O-CB 3.49Å; L550-W554 PolarHBondContact O-N 2.96Å; L550-P560 HydrophobicContact CD1-CB 4.46Å; L550-P560 HydrophobicContact CD2-CB 4.13Å; L550-L562 HydrophobicContact CD1-CB 4.34Å; L550-L562 HydrophobicContact CD1-CD1 3.89Å
551C91.9Very high91.3Very high28 Ų2838 Ų3819%0.18920%0.197CC..Hα-helixtrans-61.2-34.2179.2-169.70000112.4V440 L547 A548 Y549 A597V440-C551 HydrophobicContact CG2-CB 4.13Å; L547-C551 WeakPolarHBondContact O-CB 3.3Å; L547-C551 PolarHBondContact O-N 3.28Å; A548-C551 PolarHBondContact O-N 2.89Å; Y549-C551 VanDerWaalsContact C-N 3.32Å; Y549-C551 PolarHBondContact O-N 3.1Å; C551-A597 HydrophobicContact CB-CB 3.64Å
552T87.6Confident91.6Very high92 Ų9237 Ų3756%0.56419%0.192SC*.Hα-helixtrans-90.3-31.6-173.6-42.20000112.6A548 Y549 L550 R555A548-T552 WeakPolarHBondContact O-CB 3.5Å; A548-T552 PolarHBondContact O-N 2.61Å; A548-T552 PolarHBondContact O-OG1 3.3Å; Y549-T552 PolarHBondContact O-N 3.31Å; Y549-T552 VanDerWaalsContact O-N 3.08Å; L550-T552 PolarHBondContact O-N 2.68Å; T552-R555 PolarHBondContact O-NH1 3.31Å; T552-R555 PolarHBondContact O-NH2 3.36Å
553C89.2Confident91.9Very high12 Ų1236 Ų368%0.08119%0.187CC..Hα-helixtrans-110.9-10.1-169.3-58.90000113.8E236 L505 Y549 R555E236-C553 VanDerWaalsContact CD-SG 3.55Å; E236-C553 HydrophobicContact CG-CB 3.86Å; E236-C553 PolarHBondContact OE1-SG 3.39Å; L505-C553 HydrophobicContact CD1-CB 4.47Å; L505-C553 HydrophobicContact CD2-CB 4.26Å; Y549-C553 HydrophobicContact CD2-CB 4.46Å; Y549-C553 VanDerWaalsContact CD2-SG 3.56Å; Y549-C553 HydrophobicContact CE2-CB 4.24Å; Y549-C553 WeakPolarHBondContact CE2-SG 3.35Å; Y549-C553 VanDerWaalsContact O-CB 3.3Å; Y549-C553 WeakPolarHBondContact O-CB 3.43Å; Y549-C553 PolarHBondContact O-N 3.38Å; C553-R555 WeakPolarHBondContact O-CG 3.3Å; C553-R555 PolarHBondContact O-N 2.83Å
554W91.7Very high92Very high8 Ų836 Ų363%0.0319%0.188CC..  trans-69.6126.7177.8-169.2-92.2000111.7V438 L505 S508 K509 L550 M556 G558 P560 F612V438-W554 HydrophobicContact CG1-CB 4.08Å; V438-W554 HydrophobicContact CG1-CG 4.47Å; V438-W554 HydrophobicContact CG2-CB 4.31Å; L505-W554 HydrophobicContact CD2-CE3 3.89Å; L505-W554 WeakPolarHBondContact O-CZ3 3.48Å; S508-W554 WeakPolarHBondContact O-CH2 3.23Å; K509-W554 HydrophobicContact CG-CH2 3.89Å; K509-W554 HydrophobicContact CG-CZ3 4.49Å; L550-W554 HydrophobicContact CD2-CE3 4.07Å; L550-W554 HydrophobicContact CD2-CZ3 4.33Å; L550-W554 WeakPolarHBondContact O-CB 3.49Å; L550-W554 PolarHBondContact O-N 2.96Å; W554-M556 HydrophobicContact CD2-CE 3.69Å; W554-M556 HydrophobicContact CE3-CE 3.44Å; W554-M556 VanDerWaalsContact CE3-CE 3.44Å; W554-M556 HydrophobicContact CH2-CE 3.36Å; W554-M556 HydrophobicContact CZ2-CB 4.43Å; W554-M556 HydrophobicContact CZ2-CE 3.57Å; W554-M556 HydrophobicContact CZ3-CE 3.28Å; W554-M556 PolarHBondContact NE1-O 3.33Å; W554-G558 PolarHBondContact NE1-O 2.91Å; W554-P560 HydrophobicContact CB-CG 4.24Å; W554-P560 HydrophobicContact CD2-CB 3.65Å; W554-P560 HydrophobicContact CD2-CG 3.81Å; W554-P560 HydrophobicContact CE3-CB 3.58Å; W554-P560 HydrophobicContact CE3-CG 4.18Å; W554-P560 HydrophobicContact CG-CB 4.25Å; W554-P560 HydrophobicContact CG-CG 3.87Å; W554-P560 HydrophobicContact CH2-CB 3.88Å; W554-P560 HydrophobicContact CZ2-CB 3.98Å; W554-P560 HydrophobicContact CZ3-CB 3.7Å; W554-F612 HydrophobicContact CH2-CB 4.28Å; W554-F612 HydrophobicContact CZ2-CB 3.62Å; W554-F612 HydrophobicContact CZ2-CG 4.17Å
555R83.5Confident92.1Very high101 Ų10132.2 Ų32.238%0.38118%0.175SC..  trans-124.5-8.4-176.8-60.2-56.6-178.8-105.1-3.7114.8E271 T552 C553E271-R555 IonicContact OE1-NE 3.72Å; E271-R555 IonicContact OE2-CZ 3Å; E271-R555 IonicContact OE2-NE 2.69Å; E271-R555 PolarHBondContact OE2-NE 2.64Å; E271-R555 IonicContact OE2-NH2 3.01Å; E271-R555 PolarHBondContact OE2-NH2 3.39Å; T552-R555 PolarHBondContact O-NH1 3.31Å; T552-R555 PolarHBondContact O-NH2 3.36Å; C553-R555 WeakPolarHBondContact O-CG 3.3Å; C553-R555 PolarHBondContact O-N 2.83Å
556M87.7Confident92.4Very high35 Ų3531.5 Ų31.517%0.17217%0.171CC..SBendtrans-82.9154.9-172.5-61.9169.5-72.800111.5P232 K509 W554 G558 F612P232-M556 HydrophobicContact CB-CE 4.3Å; P232-M556 HydrophobicContact CB-SD 4.35Å; P232-M556 HydrophobicContact CG-CE 4.28Å; P232-M556 HydrophobicContact CG-SD 4.45Å; K509-M556 WeakPolarHBondContact CE-SD 2.98Å; K509-M556 PolarHBondContact NZ-SD 2.74Å; K509-M556 VanDerWaalsContact NZ-SD 3.41Å; W554-M556 HydrophobicContact CD2-CE 3.69Å; W554-M556 HydrophobicContact CE3-CE 3.44Å; W554-M556 VanDerWaalsContact CE3-CE 3.44Å; W554-M556 HydrophobicContact CH2-CE 3.36Å; W554-M556 HydrophobicContact CZ2-CB 4.43Å; W554-M556 HydrophobicContact CZ2-CE 3.57Å; W554-M556 HydrophobicContact CZ3-CE 3.28Å; W554-M556 PolarHBondContact NE1-O 3.33Å; M556-G558 PolarHBondContact O-N 3.46Å; M556-F612 HydrophobicContact CB-CD2 3.53Å; M556-F612 HydrophobicContact CB-CE2 3.59Å; M556-F612 HydrophobicContact CB-CG 4.29Å; M556-F612 HydrophobicContact CB-CZ 4.33Å; M556-F612 HydrophobicContact CG-CD2 4.46Å; M556-F612 HydrophobicContact CG-CE2 4.17Å; M556-F612 HydrophobicContact CG-CZ 4.47Å; M556-F612 HydrophobicContact SD-CD1 4.46Å; M556-F612 HydrophobicContact SD-CD2 4.49Å; M556-F612 HydrophobicContact SD-CE1 4.12Å; M556-F612 HydrophobicContact SD-CE2 4.2Å; M556-F612 HydrophobicContact SD-CZ 4Å
557T87.7Confident92.4Very high137 Ų13731 Ų3184%0.8417%0.17SC*.SBendtrans-76.1110.1-180-61.60000111.2F612T557-F612 VanDerWaalsContact O-CD2 3.23Å; T557-F612 WeakPolarHBondContact O-CD2 3.19Å
558G92Very high92.2Very high31 Ų3135.6 Ų35.632%0.3219%0.192SC..SBendtrans123.3161.5-171.100000109.5W554 M556W554-G558 PolarHBondContact NE1-O 2.91Å; M556-G558 PolarHBondContact O-N 3.46Å
559R94.8Very high92Very high95 Ų9535.4 Ų35.436%0.35819%0.188SC..BIsolated β-bridgetrans-88.5142.7-175.6-66.7-179.3-175.6-166.2-0.3111.4Q441 T561 T610 S611 F612Q441-R559 HydrophobicContact CG-CB 3.93Å; Q441-R559 VanDerWaalsContact OE1-CB 3.26Å; R559-T561 PolarHBondContact O-N 2.84Å; R559-T610 PolarHBondContact N-O 3.33Å; R559-S611 WeakPolarHBondContact O-CA 3.16Å; R559-F612 PolarHBondContact O-N 2.91Å
560P97.1Very high92.1Very high1 Ų133.4 Ų33.41%0.00618%0.18CC..  trans-64132.417018.7-20.6000109.6V438 V440 Q441 L550 W554V438-P560 HydrophobicContact CG1-CG 3.73Å; V440-P560 HydrophobicContact CB-CG 4.37Å; V440-P560 HydrophobicContact CG1-CB 4.42Å; V440-P560 HydrophobicContact CG1-CG 4.28Å; V440-P560 HydrophobicContact CG2-CG 4.09Å; Q441-P560 WeakPolarHBondContact CB-O 3.31Å; Q441-P560 PolarHBondContact N-O 3.14Å; L550-P560 HydrophobicContact CD1-CB 4.46Å; L550-P560 HydrophobicContact CD2-CB 4.13Å; W554-P560 HydrophobicContact CB-CG 4.24Å; W554-P560 HydrophobicContact CD2-CB 3.65Å; W554-P560 HydrophobicContact CD2-CG 3.81Å; W554-P560 HydrophobicContact CE3-CB 3.58Å; W554-P560 HydrophobicContact CE3-CG 4.18Å; W554-P560 HydrophobicContact CG-CB 4.25Å; W554-P560 HydrophobicContact CG-CG 3.87Å; W554-P560 HydrophobicContact CH2-CB 3.88Å; W554-P560 HydrophobicContact CZ2-CB 3.98Å; W554-P560 HydrophobicContact CZ3-CB 3.7Å
561T97.4Very high92.1Very high1 Ų134 Ų341%0.00618%0.183CC..EExtended strand (participates in β ladder)trans-120.6102.5179.4-55.30000109.9Q441 S508 R559 L604 F607 S611Q441-T561 HydrophobicContact CB-CG2 4.37Å; Q441-T561 CarbonylContact O-C 3.55Å; Q441-T561 WeakPolarHBondContact O-CA 3.43Å; Q441-T561 PolarHBondContact OE1-OG1 2.9Å; S508-T561 CarbonylContact C-O 3.44Å; S508-T561 VanDerWaalsContact CA-O 3.25Å; S508-T561 WeakPolarHBondContact CA-O 3.34Å; S508-T561 PolarHBondContact O-N 3.03Å; R559-T561 PolarHBondContact O-N 2.84Å; T561-L604 HydrophobicContact CG2-CD2 4.08Å; T561-F607 HydrophobicContact CG2-CB 4.32Å; T561-F607 HydrophobicContact CG2-CD2 4.01Å; T561-S611 VanDerWaalsContact OG1-CB 3.31Å; T561-S611 WeakPolarHBondContact OG1-CB 3.17Å; T561-S611 PolarHBondContact OG1-OG 3.23Å
562L97.4Very high91.9Very high1 Ų134.3 Ų34.31%0.00518%0.184CC..EExtended strand (participates in β ladder)trans-92123.5179.4-175.2149.8000110.1Q441 V442 A443 V504 P522 L543 L547 L550 F564Q441-L562 PolarHBondContact O-N 2.8Å; V442-L562 WeakPolarHBondContact CA-O 3.43Å; V442-L562 HydrophobicContact CG1-CD2 4.22Å; A443-L562 PolarHBondContact N-O 2.83Å; V504-L562 HydrophobicContact CG2-CD1 4.09Å; P522-L562 HydrophobicContact CG-CD1 3.9Å; P522-L562 HydrophobicContact CG-CD2 4.09Å; P522-L562 HydrophobicContact CG-CG 3.74Å; L543-L562 HydrophobicContact CD1-CD1 4.15Å; L543-L562 HydrophobicContact CD1-CD2 3.86Å; L547-L562 HydrophobicContact CD2-CD1 4.08Å; L550-L562 HydrophobicContact CD1-CB 4.34Å; L550-L562 HydrophobicContact CD1-CD1 3.89Å; L562-F564 HydrophobicContact CD2-CB 3.8Å
563T96.9Very high91.5Very high0 Ų036.1 Ų36.10%019%0.191CC..EExtended strand (participates in β ladder)trans-98.2108.9176.1-61.10000109.8L445 V473 T519 T521 P522 P565L445-T563 HydrophobicContact CD1-CG2 3.49Å; L445-T563 VanDerWaalsContact CD1-CG2 3.49Å; L445-T563 HydrophobicContact CG-CG2 4.07Å; V473-T563 HydrophobicContact CG1-CG2 4.06Å; T519-T563 HydrophobicContact CG2-CG2 4.17Å; T519-T563 PolarHBondContact OG1-OG1 3.38Å; T521-T563 HydrophobicContact CG2-CG2 4.47Å; P522-T563 WeakPolarHBondContact CD-O 3.28Å; T563-P565 WeakPolarHBondContact O-CD 3.37Å
564F96.4Very high91.1Very high3 Ų341.2 Ų41.21%0.01322%0.217CC..EExtended strand (participates in β ladder)trans-104.7103.8-175.8-173.7-109.6000111.2A443 V444 L445 F524 T525 I539 L543 L562 V566 M570A443-F564 PolarHBondContact O-N 2.78Å; V444-F564 WeakPolarHBondContact CA-O 3.44Å; V444-F564 HydrophobicContact CG2-CD1 4.4Å; L445-F564 PolarHBondContact N-O 3.22Å; F524-F564 HydrophobicContact CE2-CE2 4.09Å; F524-F564 HydrophobicContact CZ-CD2 4.45Å; F524-F564 HydrophobicContact CZ-CE2 4.37Å; T525-F564 HydrophobicContact CG2-CD2 4.14Å; T525-F564 HydrophobicContact CG2-CE2 4.04Å; I539-F564 HydrophobicContact CG2-CE2 3.9Å; I539-F564 HydrophobicContact CG2-CZ 3.85Å; L543-F564 HydrophobicContact CD1-CD2 4.16Å; L543-F564 HydrophobicContact CD2-CD1 4.49Å; L543-F564 HydrophobicContact CD2-CD2 4.21Å; L543-F564 HydrophobicContact CD2-CE1 4.39Å; L543-F564 HydrophobicContact CD2-CE2 4.12Å; L543-F564 HydrophobicContact CD2-CG 4.4Å; L543-F564 HydrophobicContact CD2-CZ 4.22Å; L562-F564 HydrophobicContact CD2-CB 3.8Å; F564-V566 HydrophobicContact CD1-CG2 4.19Å; F564-V566 HydrophobicContact CE1-CG2 4.07Å; F564-M570 HydrophobicContact CE1-SD 4.47Å; F564-M570 HydrophobicContact CZ-CE 4.29Å; F564-M570 HydrophobicContact CZ-SD 4.21Å
565P95.1Very high90.7Very high13 Ų1342.1 Ų42.18%0.08423%0.229CC..EExtended strand (participates in β ladder)trans-78.5135.1177.433.3-36.2000111.4L445 T521 T563 M570L445-P565 CarbonylContact O-C 3.59Å; L445-P565 WeakPolarHBondContact O-CA 3.5Å; T521-P565 HydrophobicContact CG2-CB 4.42Å; T521-P565 HydrophobicContact CG2-CG 3.79Å; T563-P565 WeakPolarHBondContact O-CD 3.37Å; P565-M570 WeakPolarHBondContact O-CE 3.43Å
566V95.3Very high91Very high0 Ų040.6 Ų40.60%023%0.234CC..EExtended strand (participates in β ladder)trans-104.9113.2169.2-176.20000108.3V444 L445 E447 I451 F455 F564 M570 I586V444-V566 HydrophobicContact CG1-CG2 3.75Å; L445-V566 PolarHBondContact O-N 2.83Å; E447-V566 WeakPolarHBondContact CB-O 3.43Å; E447-V566 PolarHBondContact N-O 3.36Å; I451-V566 WeakPolarHBondContact CD1-O 3.42Å; I451-V566 HydrophobicContact CG2-CB 4.38Å; I451-V566 HydrophobicContact CG2-CG1 4.03Å; F455-V566 HydrophobicContact CE2-CB 3.9Å; F455-V566 HydrophobicContact CE2-CG1 3.76Å; F455-V566 HydrophobicContact CE2-CG2 4.01Å; F455-V566 HydrophobicContact CZ-CB 4.17Å; F455-V566 HydrophobicContact CZ-CG1 3.89Å; F455-V566 HydrophobicContact CZ-CG2 3.85Å; F564-V566 HydrophobicContact CD1-CG2 4.19Å; F564-V566 HydrophobicContact CE1-CG2 4.07Å; V566-M570 HydrophobicContact CB-SD 4.43Å; V566-M570 HydrophobicContact CG1-CB 3.98Å; V566-M570 HydrophobicContact CG1-SD 4.2Å; V566-I586 HydrophobicContact CG2-CD1 4.28Å
567T91.9Very high91.2Very high23 Ų2341.1 Ų41.114%0.14124%0.237CC..  trans-105.2171.4-175.862.80000111.4E447 I451 T569 M570E447-T567 HydrophobicContact CB-CG2 4.33Å; E447-T567 WeakPolarHBondContact OE2-CA 3.25Å; I451-T567 VanDerWaalsContact CD1-C 3.49Å; T567-T569 PolarHBondContact O-N 2.98Å; T567-T569 VanDerWaalsContact O-N 3.16Å; T567-T569 PolarHBondContact OG1-OG1 3.35Å; T567-M570 WeakPolarHBondContact O-CB 3.28Å; T567-M570 PolarHBondContact O-N 3.32Å
568H88.9Confident91.5Very high97 Ų9734.7 Ų34.745%0.44920%0.198SC..G310 helixtrans-57.1-25.9178.766.7-80.9000114.7E447 M570 L571E447-H568 IonicContact OE1-ND1 3.73Å; E447-H568 IonicContact OE2-CG 3.32Å; E447-H568 PolarHBondContact OE2-N 2.73Å; E447-H568 IonicContact OE2-ND1 2.69Å; E447-H568 PolarHBondContact OE2-ND1 2.9Å; H568-M570 PolarHBondContact O-N 3.03Å; H568-L571 WeakPolarHBondContact O-CB 3.47Å; H568-L571 WeakPolarHBondContact O-CG 3.48Å; H568-L571 PolarHBondContact O-N 2.86Å
569T87.4Confident91.6Very high22 Ų2235.3 Ų35.314%0.13519%0.192CC..G310 helixtrans-73.4-15.517763.70000113.2Q527 N536 T567 L571 L816Q527-T569 PolarHBondContact NE2-OG1 2.87Å; N536-T569 PolarHBondContact ND2-O 3.3Å; N536-T569 PolarHBondContact OD1-O 3.47Å; T567-T569 PolarHBondContact O-N 2.98Å; T567-T569 VanDerWaalsContact O-N 3.16Å; T567-T569 PolarHBondContact OG1-OG1 3.35Å; T569-L571 VanDerWaalsContact C-N 3.25Å; T569-L816 HydrophobicContact CG2-CD2 4.15Å
570M92.2Very high91.6Very high2 Ų234.9 Ų34.91%0.0120%0.202CC..G310 helixtrans-91.113.1177.7-59.5-174.2-170.400112.5N536 I539 F564 P565 V566 T567 H568 H579 V582N536-M570 WeakPolarHBondContact OD1-CA 3.32Å; I539-M570 HydrophobicContact CD1-CE 3.88Å; I539-M570 HydrophobicContact CG2-CE 4.19Å; F564-M570 HydrophobicContact CE1-SD 4.47Å; F564-M570 HydrophobicContact CZ-CE 4.29Å; F564-M570 HydrophobicContact CZ-SD 4.21Å; P565-M570 WeakPolarHBondContact O-CE 3.43Å; V566-M570 HydrophobicContact CB-SD 4.43Å; V566-M570 HydrophobicContact CG1-CB 3.98Å; V566-M570 HydrophobicContact CG1-SD 4.2Å; T567-M570 WeakPolarHBondContact O-CB 3.28Å; T567-M570 PolarHBondContact O-N 3.32Å; H568-M570 PolarHBondContact O-N 3.03Å; M570-H579 VanDerWaalsContact O-CB 3.23Å; M570-H579 WeakPolarHBondContact O-CB 3.43Å; M570-H579 PolarHBondContact O-N 3Å; M570-V582 HydrophobicContact CB-CG2 4.32Å
571L91.9Very high91.5Very high12 Ų1235.1 Ų35.16%0.06320%0.204CC..BIsolated β-bridgetrans-95172174.6-56.4-175.3000111I451 L454 H568 T569 D577 I578I451-L571 HydrophobicContact CG1-CD1 4.2Å; I451-L571 HydrophobicContact CG1-CD2 4.31Å; L454-L571 HydrophobicContact CD1-CD1 4.17Å; L454-L571 HydrophobicContact CD1-CD2 3.86Å; H568-L571 WeakPolarHBondContact O-CB 3.47Å; H568-L571 WeakPolarHBondContact O-CG 3.48Å; H568-L571 PolarHBondContact O-N 2.86Å; T569-L571 VanDerWaalsContact C-N 3.25Å; L571-D577 CarbonylContact C-O 3.58Å; L571-D577 VanDerWaalsContact CA-O 3.23Å; L571-D577 WeakPolarHBondContact CA-O 3.47Å; L571-D577 VanDerWaalsContact CB-O 3.3Å; L571-D577 WeakPolarHBondContact CB-O 3Å; L571-I578 HydrophobicContact CD2-CG1 4.04Å
572T88.1Confident91.4Very high34 Ų3435.1 Ų35.121%0.20920%0.204CC..  trans-62.5159.2168.556.30000110.9D574 G575 S576 D577T572-D574 WeakPolarHBondContact CB-OD1 3.22Å; T572-D574 PolarHBondContact O-N 2.83Å; T572-D574 PolarHBondContact OG1-OD1 2.71Å; T572-G575 WeakPolarHBondContact O-CA 2.96Å; T572-G575 PolarHBondContact O-N 3.03Å; T572-S576 PolarHBondContact OG1-N 2.66Å; T572-S576 PolarHBondContact OG1-OG 3.17Å; T572-D577 HydrophobicContact CG2-CB 4.15Å; T572-D577 PolarHBondContact N-O 2.83Å; T572-D577 PolarHBondContact OG1-N 3.13Å; T572-D577 VanDerWaalsContact OG1-N 3.14Å; T572-D577 PolarHBondContact OG1-O 3.19Å
573N78.4Confident91.2Very high131 Ų13135.7 Ų35.770%0.70121%0.207SC*.THydrogen-bonded Turntrans-58.2-24.2-174-68.1-5.7000114.3
574D80.4Confident91.1Very high118 Ų11837.9 Ų37.963%0.63122%0.222SC*.THydrogen-bonded Turntrans-92.8-3.6175.661.5-25.7000113.6T572 S576T572-D574 WeakPolarHBondContact CB-OD1 3.22Å; T572-D574 PolarHBondContact O-N 2.83Å; T572-D574 PolarHBondContact OG1-OD1 2.71Å; D574-S576 PolarHBondContact O-N 2.87Å; D574-S576 PolarHBondContact OD1-OG 3.03Å; D574-S576 VanDerWaalsContact OD1-OG 3.1Å; D574-S576 VanDerWaalsContact OD2-CB 3.23Å; D574-S576 WeakPolarHBondContact OD2-CB 3.48Å; D574-S576 PolarHBondContact OD2-OG 3.08Å
575G83.8Confident91.1Very high27 Ų2738 Ų3828%0.27822%0.223SC..SBendtrans66.814.2-177.500000113.9T572T572-G575 WeakPolarHBondContact O-CA 2.96Å; T572-G575 PolarHBondContact O-N 3.03Å
576S89.4Confident91.1Very high69 Ų6937.4 Ų37.448%0.48322%0.219SC..SBendtrans-79.1-27.3-174.9660000113.1L454 T572 D574L454-S576 WeakPolarHBondContact CD2-O 3.27Å; T572-S576 PolarHBondContact OG1-N 2.66Å; T572-S576 PolarHBondContact OG1-OG 3.17Å; D574-S576 PolarHBondContact O-N 2.87Å; D574-S576 PolarHBondContact OD1-OG 3.03Å; D574-S576 VanDerWaalsContact OD1-OG 3.1Å; D574-S576 VanDerWaalsContact OD2-CB 3.23Å; D574-S576 WeakPolarHBondContact OD2-CB 3.48Å; D574-S576 PolarHBondContact OD2-OG 3.08Å
577D93.7Very high91Very high47 Ų4742.6 Ų42.625%0.25124%0.239SC..SBendtrans-148.4171.2-176.8-156.40.1000112.8H458 L571 T572H458-D577 IonicContact CE1-OD1 3.71Å; H458-D577 PolarHBondContact CE1-OD1 2.86Å; H458-D577 IonicContact CE1-OD2 2.74Å; H458-D577 PolarHBondContact CE1-OD2 3.48Å; H458-D577 IonicContact ND1-OD1 3.12Å; H458-D577 PolarHBondContact ND1-OD1 3.38Å; H458-D577 IonicContact NE2-OD1 2.75Å; H458-D577 IonicContact NE2-OD2 3.75Å; H458-D577 PolarHBondContact NE2-OD2 3.03Å; L571-D577 CarbonylContact C-O 3.58Å; L571-D577 VanDerWaalsContact CA-O 3.23Å; L571-D577 WeakPolarHBondContact CA-O 3.47Å; L571-D577 VanDerWaalsContact CB-O 3.3Å; L571-D577 WeakPolarHBondContact CB-O 3Å; T572-D577 HydrophobicContact CG2-CB 4.15Å; T572-D577 PolarHBondContact N-O 2.83Å; T572-D577 PolarHBondContact OG1-N 3.13Å; T572-D577 VanDerWaalsContact OG1-N 3.14Å; T572-D577 PolarHBondContact OG1-O 3.19Å
578I94.1Very high91.1Very high2 Ų246.5 Ų46.51%0.0125%0.254CS..BIsolated β-bridgetrans-74.7140.1174.5-62.6151.8000109.7L454 F455 L571 V582 L583L454-I578 HydrophobicContact CB-CD1 3.93Å; L454-I578 HydrophobicContact CB-CG1 4.02Å; F455-I578 HydrophobicContact CB-CD1 4.24Å; F455-I578 HydrophobicContact CD1-CD1 3.37Å; F455-I578 HydrophobicContact CD2-CD1 3.77Å; F455-I578 HydrophobicContact CE1-CD1 3.43Å; F455-I578 VanDerWaalsContact CE1-CD1 3.43Å; F455-I578 HydrophobicContact CE1-CG1 4.34Å; F455-I578 HydrophobicContact CE1-CG2 4.35Å; F455-I578 HydrophobicContact CE2-CD1 3.84Å; F455-I578 HydrophobicContact CE2-CG1 4.31Å; F455-I578 HydrophobicContact CG-CD1 3.53Å; F455-I578 HydrophobicContact CZ-CD1 3.66Å; F455-I578 HydrophobicContact CZ-CG1 4.16Å; F455-I578 HydrophobicContact CZ-CG2 4.19Å; L571-I578 HydrophobicContact CD2-CG1 4.04Å; I578-V582 HydrophobicContact CG2-CB 4.22Å; I578-V582 HydrophobicContact CG2-CG1 4.22Å; I578-L583 HydrophobicContact CG2-CB 4.02Å
579H94Very high91.3Very high44 Ų4441.9 Ų41.920%0.20423%0.232CC..  trans-57.4132178.3-168.6-88.8000111.5N536 M570 A581 V582 L583N536-H579 HydrophobicContact CB-CB 4.38Å; M570-H579 VanDerWaalsContact O-CB 3.23Å; M570-H579 WeakPolarHBondContact O-CB 3.43Å; M570-H579 PolarHBondContact O-N 3Å; H579-A581 VanDerWaalsContact C-N 3.28Å; H579-A581 VanDerWaalsContact ND1-CB 3.33Å; H579-A581 WeakPolarHBondContact ND1-CB 3.39Å; H579-A581 PolarHBondContact ND1-N 3.4Å; H579-A581 PolarHBondContact O-N 3.45Å; H579-A581 VanDerWaalsContact O-N 3.15Å; H579-V582 HydrophobicContact CB-CG2 4.22Å; H579-V582 PolarHBondContact O-N 3.25Å; H579-L583 PolarHBondContact O-N 3.3Å
580P94.2Very high91.6Very high86 Ų8645.7 Ų45.756%0.55825%0.249SC*.Hα-helixtrans-55-37.9-174.3-29.435.3000114.5V582 L583 S584P580-V582 PolarHBondContact O-N 3.29Å; P580-L583 PolarHBondContact O-N 3.41Å; P580-S584 VanDerWaalsContact O-CB 3.26Å; P580-S584 WeakPolarHBondContact O-CB 3.35Å; P580-S584 PolarHBondContact O-N 3.45Å; P580-S584 PolarHBondContact O-OG 3.16Å
581A93.9Very high91.6Very high6 Ų652.1 Ų52.15%0.0528%0.283CS..Hα-helixtrans-58.6-47.4176.300000112.4E537 V540 H579 S584 T585E537-A581 HydrophobicContact CG-CB 4.27Å; E537-A581 WeakPolarHBondContact OE1-CB 3.47Å; V540-A581 HydrophobicContact CG2-CB 4.39Å; H579-A581 VanDerWaalsContact C-N 3.28Å; H579-A581 VanDerWaalsContact ND1-CB 3.33Å; H579-A581 WeakPolarHBondContact ND1-CB 3.39Å; H579-A581 PolarHBondContact ND1-N 3.4Å; H579-A581 PolarHBondContact O-N 3.45Å; H579-A581 VanDerWaalsContact O-N 3.15Å; A581-S584 PolarHBondContact O-OG 2.95Å; A581-T585 WeakPolarHBondContact O-CB 3.43Å; A581-T585 PolarHBondContact O-N 3.39Å; A581-T585 PolarHBondContact O-OG1 2.8Å
582V95.4Very high91.5Very high1 Ų153 Ų531%0.00630%0.295CS..Hα-helixtrans-67.9-47.4-179178.20000109.7N536 V540 M570 I578 H579 P580 S584 T585 I586N536-V582 HydrophobicContact CB-CG2 4.2Å; V540-V582 HydrophobicContact CG2-CG2 4.28Å; M570-V582 HydrophobicContact CB-CG2 4.32Å; I578-V582 HydrophobicContact CG2-CB 4.22Å; I578-V582 HydrophobicContact CG2-CG1 4.22Å; H579-V582 HydrophobicContact CB-CG2 4.22Å; H579-V582 PolarHBondContact O-N 3.25Å; P580-V582 PolarHBondContact O-N 3.29Å; V582-S584 PolarHBondContact O-N 3.13Å; V582-T585 WeakPolarHBondContact O-CB 3.1Å; V582-T585 PolarHBondContact O-N 2.73Å; V582-I586 HydrophobicContact CG1-CD1 3.86Å; V582-I586 WeakPolarHBondContact O-CG1 3.47Å; V582-I586 PolarHBondContact O-N 3.45Å
583L95Very high91.7Very high12 Ų1257.9 Ų57.96%0.06331%0.311CS..Hα-helixtrans-60.9-44.9178.1-179.263.7000112.1H458 I578 H579 P580 T585 I586 R587H458-L583 HydrophobicContact CB-CD1 3.91Å; H458-L583 HydrophobicContact CB-CD2 4.44Å; H458-L583 WeakPolarHBondContact CD2-CD2 3.14Å; I578-L583 HydrophobicContact CG2-CB 4.02Å; H579-L583 PolarHBondContact O-N 3.3Å; P580-L583 PolarHBondContact O-N 3.41Å; L583-T585 VanDerWaalsContact C-N 3.27Å; L583-T585 PolarHBondContact O-N 3.5Å; L583-I586 PolarHBondContact O-N 3.47Å; L583-R587 WeakPolarHBondContact O-CG 3.48Å; L583-R587 PolarHBondContact O-N 2.86Å; L583-R587 VanDerWaalsContact O-N 3.09Å
584S94.4Very high92.4Very high46 Ų4652.4 Ų52.432%0.32228%0.281SS..Hα-helixtrans-63.7-35.117877.80000112.2P580 A581 V582 K588P580-S584 VanDerWaalsContact O-CB 3.26Å; P580-S584 WeakPolarHBondContact O-CB 3.35Å; P580-S584 PolarHBondContact O-N 3.45Å; P580-S584 PolarHBondContact O-OG 3.16Å; A581-S584 PolarHBondContact O-OG 2.95Å; V582-S584 PolarHBondContact O-N 3.13Å; S584-K588 WeakPolarHBondContact O-CG 3.26Å; S584-K588 PolarHBondContact O-N 3.5Å
585T95.1Very high92.2Very high5 Ų548.3 Ų48.33%0.03127%0.266CS..Hα-helixtrans-68.6-44.9177.2-63.40000111.3V540 L543 A581 V582 L583 R587 K588 L589 F594V540-T585 HydrophobicContact CG1-CG2 4.11Å; V540-T585 WeakPolarHBondContact CG1-OG1 3.31Å; V540-T585 HydrophobicContact CG2-CG2 4.36Å; V540-T585 WeakPolarHBondContact CG2-OG1 3.42Å; L543-T585 HydrophobicContact CD2-CG2 4.18Å; A581-T585 WeakPolarHBondContact O-CB 3.43Å; A581-T585 PolarHBondContact O-N 3.39Å; A581-T585 PolarHBondContact O-OG1 2.8Å; V582-T585 WeakPolarHBondContact O-CB 3.1Å; V582-T585 PolarHBondContact O-N 2.73Å; L583-T585 VanDerWaalsContact C-N 3.27Å; L583-T585 PolarHBondContact O-N 3.5Å; T585-R587 VanDerWaalsContact C-N 3.31Å; T585-R587 PolarHBondContact O-N 3.46Å; T585-K588 WeakPolarHBondContact O-CB 3.5Å; T585-K588 PolarHBondContact O-N 3.43Å; T585-K588 VanDerWaalsContact O-N 3.1Å; T585-L589 WeakPolarHBondContact O-CG 3.38Å; T585-L589 PolarHBondContact O-N 2.92Å; T585-F594 HydrophobicContact CG2-CE1 3.95Å; T585-F594 HydrophobicContact CG2-CE2 4.03Å; T585-F594 HydrophobicContact CG2-CZ 3.55Å
586I95.1Very high92.2Very high2 Ų249.1 Ų49.11%0.0127%0.274CS..Hα-helixtrans-61.6-41177.7-68.1165000110.9V444 F455 V460 V566 V582 L583 K588 L589 E590V444-I586 HydrophobicContact CG1-CD1 4.01Å; V444-I586 HydrophobicContact CG2-CG1 4.37Å; F455-I586 HydrophobicContact CE1-CD1 3.36Å; F455-I586 HydrophobicContact CZ-CD1 3.46Å; F455-I586 VanDerWaalsContact CZ-CD1 3.46Å; V460-I586 HydrophobicContact CG1-CG2 3.93Å; V566-I586 HydrophobicContact CG2-CD1 4.28Å; V582-I586 HydrophobicContact CG1-CD1 3.86Å; V582-I586 WeakPolarHBondContact O-CG1 3.47Å; V582-I586 PolarHBondContact O-N 3.45Å; L583-I586 PolarHBondContact O-N 3.47Å; I586-K588 PolarHBondContact O-N 2.74Å; I586-L589 WeakPolarHBondContact O-CB 3.48Å; I586-L589 PolarHBondContact O-N 3.29Å; I586-L589 VanDerWaalsContact O-N 3.12Å; I586-E590 PolarHBondContact O-N 3.39Å
587R93.4Very high92.3Very high109 Ų10945.8 Ų45.841%0.41125%0.251SS..Hα-helixtrans-61-41.8172.6-72.3177.1177.1153.5-0.8112.6L583 T585 L589 E590 D591L583-R587 WeakPolarHBondContact O-CG 3.48Å; L583-R587 PolarHBondContact O-N 2.86Å; L583-R587 VanDerWaalsContact O-N 3.09Å; T585-R587 VanDerWaalsContact C-N 3.31Å; T585-R587 PolarHBondContact O-N 3.46Å; R587-L589 VanDerWaalsContact C-N 3.26Å; R587-L589 PolarHBondContact O-N 2.69Å; R587-E590 VanDerWaalsContact O-CB 3.31Å; R587-E590 WeakPolarHBondContact O-CB 3.36Å; R587-E590 PolarHBondContact O-N 2.99Å; R587-E590 VanDerWaalsContact O-N 3.08Å; R587-D591 PolarHBondContact O-N 2.91Å
588K93.5Very high92.4Very high104 Ų10449.3 Ų49.345%0.45226%0.261SS..Hα-helixtrans-64.4-30.5174.3-71.3170.2-178.3171.70112.7S584 T585 I586 E590 D591 F594S584-K588 WeakPolarHBondContact O-CG 3.26Å; S584-K588 PolarHBondContact O-N 3.5Å; T585-K588 WeakPolarHBondContact O-CB 3.5Å; T585-K588 PolarHBondContact O-N 3.43Å; T585-K588 VanDerWaalsContact O-N 3.1Å; I586-K588 PolarHBondContact O-N 2.74Å; K588-E590 VanDerWaalsContact C-N 3.29Å; K588-D591 WeakPolarHBondContact O-CB 3.49Å; K588-D591 PolarHBondContact O-N 2.68Å; K588-F594 HydrophobicContact CB-CD2 3.83Å; K588-F594 HydrophobicContact CB-CE2 4.23Å; K588-F594 HydrophobicContact CD-CD2 4.22Å; K588-F594 HydrophobicContact CD-CE2 3.96Å
589L94.9Very high92.5Very high1 Ų149.6 Ų49.61%0.00526%0.262CS..Hα-helixtrans-68-30.3173.2-65.5172000111.8V442 L543 L547 T585 I586 R587 D591 G592 F594 V599 L601V442-L589 HydrophobicContact CG1-CD1 4.16Å; L543-L589 HydrophobicContact CD2-CD1 4.46Å; L547-L589 HydrophobicContact CD1-CD2 3.82Å; T585-L589 WeakPolarHBondContact O-CG 3.38Å; T585-L589 PolarHBondContact O-N 2.92Å; I586-L589 WeakPolarHBondContact O-CB 3.48Å; I586-L589 PolarHBondContact O-N 3.29Å; I586-L589 VanDerWaalsContact O-N 3.12Å; R587-L589 VanDerWaalsContact C-N 3.26Å; R587-L589 PolarHBondContact O-N 2.69Å; L589-D591 VanDerWaalsContact C-N 3.26Å; L589-D591 PolarHBondContact O-N 3.46Å; L589-G592 PolarHBondContact O-N 3.11Å; L589-F594 HydrophobicContact CD2-CB 3.72Å; L589-F594 HydrophobicContact CD2-CD1 3.97Å; L589-F594 HydrophobicContact CD2-CG 3.94Å; L589-V599 HydrophobicContact CD2-CB 4.34Å; L589-V599 HydrophobicContact CD2-CG1 4.24Å; L589-V599 HydrophobicContact CD2-CG2 3.95Å; L589-L601 HydrophobicContact CB-CD1 4.45Å
590E92.5Very high92.6Very high101 Ų10152.2 Ų52.247%0.47227%0.273SS..Hα-helixtrans-65-29.3173.1-65175.6142.800112.2I586 R587 K588 G592 L601I586-E590 PolarHBondContact O-N 3.39Å; R587-E590 VanDerWaalsContact O-CB 3.31Å; R587-E590 WeakPolarHBondContact O-CB 3.36Å; R587-E590 PolarHBondContact O-N 2.99Å; R587-E590 VanDerWaalsContact O-N 3.08Å; K588-E590 VanDerWaalsContact C-N 3.29Å; E590-G592 PolarHBondContact O-N 3.33Å; E590-L601 HydrophobicContact CG-CD2 3.47Å; E590-L601 VanDerWaalsContact CG-CD2 3.47Å
591D91.6Very high92.7Very high137 Ų13750.3 Ų50.373%0.73326%0.258SS*.THydrogen-bonded Turntrans-69.2-10.8177-62.5-29.9000113.4R587 K588 L589R587-D591 PolarHBondContact O-N 2.91Å; K588-D591 WeakPolarHBondContact O-CB 3.49Å; K588-D591 PolarHBondContact O-N 2.68Å; L589-D591 VanDerWaalsContact C-N 3.26Å; L589-D591 PolarHBondContact O-N 3.46Å
592G91.7Very high92.8Very high30 Ų3050.9 Ų50.931%0.30927%0.265SS..THydrogen-bonded Turntrans84.72.4174.800000115.7L589 E590 V599L589-G592 PolarHBondContact O-N 3.11Å; E590-G592 PolarHBondContact O-N 3.33Å; G592-V599 CarbonylContact C-O 3.57Å; G592-V599 WeakPolarHBondContact CA-O 3.46Å; G592-V599 PolarHBondContact O-N 3.34Å
593Y92.1Very high92.8Very high138 Ų13853.5 Ų53.554%0.54128%0.279SS..EExtended strand (participates in β ladder)trans-145.1128.6174.7-167.9-95.5000111.7G596 A597 R598Y593-G596 VanDerWaalsContact OH-CA 3.26Å; Y593-G596 WeakPolarHBondContact OH-CA 3.22Å; Y593-G596 PolarHBondContact OH-O 3.33Å; Y593-A597 WeakPolarHBondContact CA-O 3.31Å; Y593-A597 VanDerWaalsContact CD2-O 3.3Å; Y593-A597 WeakPolarHBondContact CD2-O 3.32Å; Y593-R598 HydrophobicContact CD2-CG 4.02Å; Y593-R598 HydrophobicContact CE2-CG 4.3Å
594F91.5Very high92.7Very high16 Ų1653 Ų537%0.0728%0.276CS..EExtended strand (participates in β ladder)trans-146.7130.3178.9-174.1-110.1000111.4V540 R544 L547 T585 K588 L589 G596 A597 V599V540-F594 HydrophobicContact CG1-CZ 4.44Å; R544-F594 HydrophobicContact CB-CD1 4.36Å; R544-F594 HydrophobicContact CB-CE1 3.55Å; R544-F594 HydrophobicContact CB-CZ 3.99Å; R544-F594 HydrophobicContact CG-CD1 4.3Å; R544-F594 HydrophobicContact CG-CE1 3.82Å; R544-F594 HydrophobicContact CG-CZ 4.11Å; L547-F594 HydrophobicContact CD1-CD1 3.76Å; L547-F594 HydrophobicContact CD1-CE1 4.42Å; T585-F594 HydrophobicContact CG2-CE1 3.95Å; T585-F594 HydrophobicContact CG2-CE2 4.03Å; T585-F594 HydrophobicContact CG2-CZ 3.55Å; K588-F594 HydrophobicContact CB-CD2 3.83Å; K588-F594 HydrophobicContact CB-CE2 4.23Å; K588-F594 HydrophobicContact CD-CD2 4.22Å; K588-F594 HydrophobicContact CD-CE2 3.96Å; L589-F594 HydrophobicContact CD2-CB 3.72Å; L589-F594 HydrophobicContact CD2-CD1 3.97Å; L589-F594 HydrophobicContact CD2-CG 3.94Å; F594-G596 PolarHBondContact O-N 2.81Å; F594-G596 VanDerWaalsContact O-N 3.13Å; F594-A597 PolarHBondContact N-O 3.47Å; F594-A597 WeakPolarHBondContact O-CB 3.46Å; F594-A597 PolarHBondContact O-N 2.92Å; F594-V599 HydrophobicContact CB-CG1 4.49Å; F594-V599 HydrophobicContact CB-CG2 4.34Å
595G77.2Confident92.7Very high31 Ų3153.9 Ų53.932%0.3229%0.286SS..THydrogen-bonded Turntrans66.316.1170.200000116.7R544R544-G595 VanDerWaalsContact CG-CA 3.44Å
596G84.2Confident92.6Very high44 Ų4458.8 Ų58.845%0.45431%0.309SS..THydrogen-bonded Turntrans99.9-6.8-171.600000113.9Y593 F594Y593-G596 VanDerWaalsContact OH-CA 3.26Å; Y593-G596 WeakPolarHBondContact OH-CA 3.22Å; Y593-G596 PolarHBondContact OH-O 3.33Å; F594-G596 PolarHBondContact O-N 2.81Å; F594-G596 VanDerWaalsContact O-N 3.13Å
597A91.8Very high92.7Very high0 Ų058.8 Ų58.80%031%0.308CS..EExtended strand (participates in β ladder)trans-108.2139.1-178.700000111.8L547 C551 Y593 F594 V599L547-A597 HydrophobicContact CB-CB 4.23Å; L547-A597 WeakPolarHBondContact O-CB 3.33Å; C551-A597 HydrophobicContact CB-CB 3.64Å; Y593-A597 WeakPolarHBondContact CA-O 3.31Å; Y593-A597 VanDerWaalsContact CD2-O 3.3Å; Y593-A597 WeakPolarHBondContact CD2-O 3.32Å; F594-A597 PolarHBondContact N-O 3.47Å; F594-A597 WeakPolarHBondContact O-CB 3.46Å; F594-A597 PolarHBondContact O-N 2.92Å; A597-V599 HydrophobicContact CB-CG1 4.27Å
598R94.8Very high92.7Very high120 Ų12055.8 Ų55.845%0.45330%0.301SS..EExtended strand (participates in β ladder)trans-74.2126.8163.4-67-170.8-16715712.1108.6D437 V439 V440 Y593D437-R598 IonicContact OD2-CZ 3.92Å; D437-R598 IonicContact OD2-NH1 3.24Å; D437-R598 PolarHBondContact OD2-NH1 2.91Å; D437-R598 IonicContact OD2-NH2 3.21Å; D437-R598 PolarHBondContact OD2-NH2 3.08Å; V439-R598 HydrophobicContact CG2-CB 4.34Å; V440-R598 PolarHBondContact N-O 3.11Å; Y593-R598 HydrophobicContact CD2-CG 4.02Å; Y593-R598 HydrophobicContact CE2-CG 4.3Å
599V96.5Very high92.8Very high8 Ų857.2 Ų57.25%0.04832%0.318CS..EExtended strand (participates in β ladder)trans-124.5151.2-175.6-62.50000110.8V440 L547 L589 G592 F594 A597V440-V599 HydrophobicContact CB-CG1 4.45Å; V440-V599 CarbonylContact O-C 3.57Å; V440-V599 VanDerWaalsContact O-CA 3.23Å; V440-V599 WeakPolarHBondContact O-CA 3.32Å; L547-V599 HydrophobicContact CD1-CG1 4.29Å; L547-V599 HydrophobicContact CD2-CG1 4.5Å; L589-V599 HydrophobicContact CD2-CB 4.34Å; L589-V599 HydrophobicContact CD2-CG1 4.24Å; L589-V599 HydrophobicContact CD2-CG2 3.95Å; G592-V599 CarbonylContact C-O 3.57Å; G592-V599 WeakPolarHBondContact CA-O 3.46Å; G592-V599 PolarHBondContact O-N 3.34Å; F594-V599 HydrophobicContact CB-CG1 4.49Å; F594-V599 HydrophobicContact CB-CG2 4.34Å; A597-V599 HydrophobicContact CB-CG1 4.27Å
600K96.4Very high92.8Very high99 Ų9959.7 Ų59.743%0.4333%0.333SS..EExtended strand (participates in β ladder)trans-128.1108.9169.1-176.4177.3179.8-174.90108.4V439 V440 Q441 V442 F607V439-K600 HydrophobicContact CG1-CB 3.94Å; V440-K600 PolarHBondContact O-N 3.13Å; Q441-K600 WeakPolarHBondContact CA-O 3.49Å; V442-K600 PolarHBondContact N-O 2.8Å; K600-F607 HydrophobicContact CD-CE1 4.03Å; K600-F607 HydrophobicContact CG-CE1 4.12Å; K600-F607 HydrophobicContact CG-CZ 4.37Å; K600-F607 VanDerWaalsContact O-CZ 3.3Å; K600-F607 WeakPolarHBondContact O-CZ 3.24Å
601L96.3Very high93Very high47 Ų4755.4 Ų55.425%0.24631%0.314CS..EExtended strand (participates in β ladder)trans-75.6140170.3-169.872.6000109.8V442 V444 L589 E590V442-L601 HydrophobicContact CB-CD1 4.38Å; V442-L601 HydrophobicContact CG1-CD1 4.38Å; V442-L601 WeakPolarHBondContact O-CA 3.32Å; V444-L601 HydrophobicContact CB-CD1 4.4Å; V444-L601 HydrophobicContact CG2-CD1 3.63Å; L589-L601 HydrophobicContact CB-CD1 4.45Å; E590-L601 HydrophobicContact CG-CD2 3.47Å; E590-L601 VanDerWaalsContact CG-CD2 3.47Å
602G95Very high93.1Very high18 Ų1850.3 Ų50.319%0.18629%0.286CS..  trans177.6-179.7179.100000113.7V442 A443 F607V442-G602 PolarHBondContact O-N 3.48Å; V442-G602 VanDerWaalsContact O-N 3.14Å; A443-G602 WeakPolarHBondContact CA-O 3.3Å; G602-F607 VanDerWaalsContact CA-CZ 3.45Å
603N95.1Very high93.2Very high55 Ų5551.8 Ų51.829%0.29428%0.282SS..  trans-81.1149.5179.3-65.2-45.8000111.3Q463 A605 E606 F607Q463-N603 WeakPolarHBondContact CG-OD1 3.42Å; Q463-N603 VanDerWaalsContact OE1-CB 3.28Å; Q463-N603 PolarHBondContact OE1-OD1 3.31Å; N603-A605 VanDerWaalsContact C-N 3.27Å; N603-A605 PolarHBondContact O-N 3.41Å; N603-E606 HydrophobicContact CB-CG 4.1Å; N603-E606 PolarHBondContact ND2-OE1 2.86Å; N603-E606 WeakPolarHBondContact O-CB 3.48Å; N603-E606 PolarHBondContact O-N 3.44Å; N603-F607 PolarHBondContact O-N 3.36Å
604L94.1Very high93.2Very high3 Ų345.2 Ų45.22%0.01626%0.257CS..Hα-helixtrans-58.2-39.8179.5-80.6176000112.6A443 L445 V468 I471 V473 T519 T561 E606 F607 L608A443-L604 HydrophobicContact CB-CD2 3.56Å; A443-L604 HydrophobicContact CB-CG 3.66Å; L445-L604 HydrophobicContact CD1-CD1 4.02Å; L445-L604 HydrophobicContact CD2-CD1 4.49Å; V468-L604 HydrophobicContact CB-CD1 4.26Å; V468-L604 HydrophobicContact CG1-CD1 4.22Å; V468-L604 HydrophobicContact CG2-CD1 4.38Å; I471-L604 HydrophobicContact CD1-CB 3.81Å; I471-L604 HydrophobicContact CG2-CD1 4.33Å; V473-L604 HydrophobicContact CG2-CD1 4.44Å; T519-L604 HydrophobicContact CG2-CD1 3.96Å; T561-L604 HydrophobicContact CG2-CD2 4.08Å; L604-E606 PolarHBondContact O-N 3.17Å; L604-F607 PolarHBondContact O-N 3.13Å; L604-F607 VanDerWaalsContact O-N 3.11Å; L604-L608 PolarHBondContact O-N 2.91Å
605A93.4Very high93.2Very high64 Ų6449.8 Ų49.853%0.52927%0.274SS..Hα-helixtrans-60.9-31.1178.400000113.2N603 F607N603-A605 VanDerWaalsContact C-N 3.27Å; N603-A605 PolarHBondContact O-N 3.41Å; A605-F607 VanDerWaalsContact C-N 3.31Å
606E94.2Very high93.8Very high108 Ų10848.3 Ų48.351%0.50526%0.259SS..Hα-helixtrans-75.3-22.1179-65.4167.5-159.400112.4N603 L604N603-E606 HydrophobicContact CB-CG 4.1Å; N603-E606 PolarHBondContact ND2-OE1 2.86Å; N603-E606 WeakPolarHBondContact O-CB 3.48Å; N603-E606 PolarHBondContact O-N 3.44Å; L604-E606 PolarHBondContact O-N 3.17Å
607F96.1Very high93.7Very high1 Ų146.7 Ų46.70%0.00424%0.24CC..Hα-helixtrans-90-19.5-177.9-61.5-29.5000113.3Q441 A443 T561 K600 G602 N603 L604 A605 T609 T610 S611Q441-F607 HydrophobicContact CB-CD1 4.2Å; Q441-F607 HydrophobicContact CB-CD2 3.78Å; Q441-F607 HydrophobicContact CB-CE1 4.17Å; Q441-F607 HydrophobicContact CB-CE2 3.76Å; Q441-F607 HydrophobicContact CB-CG 4Å; Q441-F607 HydrophobicContact CB-CZ 3.93Å; Q441-F607 HydrophobicContact CG-CD1 4.18Å; Q441-F607 HydrophobicContact CG-CE1 4.25Å; Q441-F607 HydrophobicContact CG-CG 4.32Å; Q441-F607 HydrophobicContact CG-CZ 4.47Å; A443-F607 HydrophobicContact CB-CE2 4.44Å; T561-F607 HydrophobicContact CG2-CB 4.32Å; T561-F607 HydrophobicContact CG2-CD2 4.01Å; K600-F607 HydrophobicContact CD-CE1 4.03Å; K600-F607 HydrophobicContact CG-CE1 4.12Å; K600-F607 HydrophobicContact CG-CZ 4.37Å; K600-F607 VanDerWaalsContact O-CZ 3.3Å; K600-F607 WeakPolarHBondContact O-CZ 3.24Å; G602-F607 VanDerWaalsContact CA-CZ 3.45Å; N603-F607 PolarHBondContact O-N 3.36Å; L604-F607 PolarHBondContact O-N 3.13Å; L604-F607 VanDerWaalsContact O-N 3.11Å; A605-F607 VanDerWaalsContact C-N 3.31Å; F607-T609 PolarHBondContact O-N 3.11Å; F607-T610 PolarHBondContact O-N 3.46Å; F607-T610 PolarHBondContact O-OG1 3.49Å; F607-S611 WeakPolarHBondContact CB-OG 3.29Å; F607-S611 PolarHBondContact O-N 2.95Å; F607-S611 PolarHBondContact O-OG 3.17Å
608L94.6Very high93.4Very high47 Ų4748.8 Ų48.825%0.24625%0.25CC..THydrogen-bonded Turntrans-48.1-33-176.1-67.3-179.8000114.9I471 L510 I517 L604 Y613I471-L608 HydrophobicContact CD1-CD1 4.29Å; I471-L608 HydrophobicContact CD1-CD2 3.82Å; I471-L608 HydrophobicContact CD1-CG 4.33Å; I471-L608 HydrophobicContact CG1-CD2 4.45Å; L510-L608 HydrophobicContact CD1-CD2 3.76Å; I517-L608 HydrophobicContact CD1-CD2 4.13Å; L604-L608 PolarHBondContact O-N 2.91Å; L608-Y613 VanDerWaalsContact CA-OH 3.25Å; L608-Y613 WeakPolarHBondContact CA-OH 3.46Å; L608-Y613 WeakPolarHBondContact CB-OH 3.41Å; L608-Y613 WeakPolarHBondContact CD2-OH 3.46Å; L608-Y613 WeakPolarHBondContact O-CE2 3.46Å; L608-Y613 VanDerWaalsContact O-CZ 3.28Å; L608-Y613 PolarHBondContact O-OH 3.26Å
609T94.6Very high92.8Very high134 Ų13443.1 Ų43.182%0.82223%0.228SC*.THydrogen-bonded Turntrans-86-11.4-179.157.90000114.1F607F607-T609 PolarHBondContact O-N 3.11Å
610T95.2Very high92Very high53 Ų5344.7 Ų44.733%0.32524%0.236SC..THydrogen-bonded Turntrans-119.8-18.9-172.452.20000113.7Q441 R559 F607Q441-T610 PolarHBondContact NE2-OG1 3.1Å; R559-T610 PolarHBondContact N-O 3.33Å; F607-T610 PolarHBondContact O-N 3.46Å; F607-T610 PolarHBondContact O-OG1 3.49Å
611S95.8Very high90.3Very high10 Ų1044.2 Ų44.27%0.0724%0.244CC..BIsolated β-bridgetrans-68.6154.7176.9-57.80000111.8Q441 R559 T561 F607 Y613Q441-S611 PolarHBondContact OE1-OG 2.97Å; R559-S611 WeakPolarHBondContact O-CA 3.16Å; T561-S611 VanDerWaalsContact OG1-CB 3.31Å; T561-S611 WeakPolarHBondContact OG1-CB 3.17Å; T561-S611 PolarHBondContact OG1-OG 3.23Å; F607-S611 WeakPolarHBondContact CB-OG 3.29Å; F607-S611 PolarHBondContact O-N 2.95Å; F607-S611 PolarHBondContact O-OG 3.17Å; S611-Y613 WeakPolarHBondContact O-CD2 3.44Å
612F94.8Very high88.4Confident30 Ų3048.1 Ų48.113%0.13227%0.265CS..  trans-73.8140.1166.7-178.5-86.5000111.3K509 L510 W554 M556 T557 R559K509-F612 HydrophobicContact CB-CD1 4.14Å; K509-F612 HydrophobicContact CD-CD1 3.86Å; K509-F612 HydrophobicContact CD-CE1 3.8Å; K509-F612 HydrophobicContact CG-CD1 3.76Å; K509-F612 HydrophobicContact CG-CE1 4.24Å; L510-F612 PolarHBondContact N-O 2.91Å; W554-F612 HydrophobicContact CH2-CB 4.28Å; W554-F612 HydrophobicContact CZ2-CB 3.62Å; W554-F612 HydrophobicContact CZ2-CG 4.17Å; M556-F612 HydrophobicContact CB-CD2 3.53Å; M556-F612 HydrophobicContact CB-CE2 3.59Å; M556-F612 HydrophobicContact CB-CG 4.29Å; M556-F612 HydrophobicContact CB-CZ 4.33Å; M556-F612 HydrophobicContact CG-CD2 4.46Å; M556-F612 HydrophobicContact CG-CE2 4.17Å; M556-F612 HydrophobicContact CG-CZ 4.47Å; M556-F612 HydrophobicContact SD-CD1 4.46Å; M556-F612 HydrophobicContact SD-CD2 4.49Å; M556-F612 HydrophobicContact SD-CE1 4.12Å; M556-F612 HydrophobicContact SD-CE2 4.2Å; M556-F612 HydrophobicContact SD-CZ 4Å; T557-F612 VanDerWaalsContact O-CD2 3.23Å; T557-F612 WeakPolarHBondContact O-CD2 3.19Å; R559-F612 PolarHBondContact O-N 2.91Å
613Y94.1Very high86.2Confident61 Ų6150.6 Ų50.624%0.23928%0.278CS..EExtended strand (participates in β ladder)trans-118.6141.8173.6-71.5-98.2000111.4L510 V512 I517 L608 S611L510-Y613 HydrophobicContact CB-CD1 3.75Å; L510-Y613 HydrophobicContact CB-CE1 3.76Å; L510-Y613 HydrophobicContact CB-CG 4.29Å; L510-Y613 HydrophobicContact CD1-CE1 3.8Å; L510-Y613 HydrophobicContact CD1-CE2 4.12Å; L510-Y613 HydrophobicContact CG-CE1 4.46Å; L510-Y613 VanDerWaalsContact O-CA 3.3Å; L510-Y613 WeakPolarHBondContact O-CA 3.34Å; V512-Y613 HydrophobicContact CG2-CD1 3.76Å; V512-Y613 HydrophobicContact CG2-CE1 4.39Å; I517-Y613 HydrophobicContact CD1-CE1 4.24Å; I517-Y613 HydrophobicContact CG2-CE1 4.39Å; L608-Y613 VanDerWaalsContact CA-OH 3.25Å; L608-Y613 WeakPolarHBondContact CA-OH 3.46Å; L608-Y613 WeakPolarHBondContact CB-OH 3.41Å; L608-Y613 WeakPolarHBondContact CD2-OH 3.46Å; L608-Y613 WeakPolarHBondContact O-CE2 3.46Å; L608-Y613 VanDerWaalsContact O-CZ 3.28Å; L608-Y613 PolarHBondContact O-OH 3.26Å; S611-Y613 WeakPolarHBondContact O-CD2 3.44Å
614T92.4Very high83.7Confident1 Ų156.8 Ų56.81%0.00631%0.311CS..EExtended strand (participates in β ladder)trans-126.3151.6162.1-179.30000109.7E214 K509 L510 Y511 V512 L616E214-T614 PolarHBondContact OE1-OG1 3.02Å; K509-T614 HydrophobicContact CD-CG2 4.17Å; L510-T614 PolarHBondContact O-N 3.48Å; Y511-T614 WeakPolarHBondContact CA-O 3.38Å; Y511-T614 HydrophobicContact CD1-CG2 3.26Å; Y511-T614 HydrophobicContact CE1-CG2 3.23Å; Y511-T614 HydrophobicContact CG-CG2 4.02Å; V512-T614 PolarHBondContact N-O 3.08Å; T614-L616 HydrophobicContact CG2-CD2 4.45Å
615Y91.3Very high81.9Confident112 Ų11261.7 Ų61.744%0.43933%0.334SS..EExtended strand (participates in β ladder)trans-113.1119.7-175-66.3-99.8000109H229 V512 T617H229-Y615 PolarHBondContact CE1-O 3.45Å; H229-Y615 VanDerWaalsContact CE1-O 3.3Å; V512-Y615 HydrophobicContact CB-CD1 3.56Å; V512-Y615 HydrophobicContact CB-CE1 3.78Å; V512-Y615 HydrophobicContact CB-CG 4.24Å; V512-Y615 HydrophobicContact CG1-CD1 3.85Å; V512-Y615 HydrophobicContact CG1-CE1 3.92Å; V512-Y615 HydrophobicContact CG2-CD1 4.03Å; V512-Y615 HydrophobicContact CG2-CE1 3.77Å; Y615-T617 PolarHBondContact O-N 3.06Å
616L90.1Very high80.2Confident0 Ų064.1 Ų64.10%033%0.333CS..  trans-97.564.8-179.8-52.1-172.1000110.9L479 I482 Y483 Y511 V512 I513 T614 F618 L619L479-L616 HydrophobicContact CD1-CD1 4.39Å; I482-L616 HydrophobicContact CG2-CD1 3.72Å; Y483-L616 HydrophobicContact CE2-CD1 4.42Å; Y483-L616 HydrophobicContact CE2-CD2 4.41Å; Y511-L616 HydrophobicContact CD1-CD1 3.68Å; Y511-L616 HydrophobicContact CD1-CD2 3.93Å; Y511-L616 HydrophobicContact CD1-CG 3.81Å; Y511-L616 HydrophobicContact CE1-CD1 4.27Å; Y511-L616 HydrophobicContact CE1-CD2 4.19Å; Y511-L616 HydrophobicContact CE1-CG 4.5Å; V512-L616 PolarHBondContact O-N 3.5Å; I513-L616 HydrophobicContact CD1-CD1 3.9Å; I513-L616 HydrophobicContact CG1-CB 4.15Å; I513-L616 HydrophobicContact CG1-CD1 4.12Å; I513-L616 HydrophobicContact CG1-CG 4.28Å; T614-L616 HydrophobicContact CG2-CD2 4.45Å; L616-F618 HydrophobicContact CB-CD1 4.28Å; L616-F618 HydrophobicContact CB-CE1 3.79Å; L616-F618 HydrophobicContact CB-CZ 4.34Å; L616-F618 HydrophobicContact CD2-CE1 4Å; L616-F618 HydrophobicContact CG-CE1 4.3Å; L616-F618 PolarHBondContact O-N 3.28Å; L616-L619 HydrophobicContact CB-CD1 4.45Å; L616-L619 PolarHBondContact O-N 3.2Å
617T81.9Confident78.7Confident9 Ų961.3 Ų61.36%0.05532%0.321CS..G310 helixtrans-73-12.7-173.346.10000114.2R224 Y615 L619 D620R224-T617 HydrophobicContact CB-CG2 3.77Å; R224-T617 WeakPolarHBondContact CB-OG1 3.46Å; R224-T617 HydrophobicContact CG-CG2 4.2Å; R224-T617 PolarHBondContact O-OG1 3.18Å; Y615-T617 PolarHBondContact O-N 3.06Å; T617-L619 PolarHBondContact O-N 2.91Å; T617-L619 VanDerWaalsContact O-N 3.14Å; T617-D620 WeakPolarHBondContact O-CB 3.43Å; T617-D620 PolarHBondContact O-N 3.28Å; T617-D620 VanDerWaalsContact O-N 3.1Å
618F84.5Confident77.2Confident45 Ų4562.1 Ų62.120%0.19732%0.324CS..G310 helixtrans-65-9.7170.269.7-93.1000113.2I482 K485 L486 L616I482-F618 HydrophobicContact CG2-CZ 4.06Å; K485-F618 HydrophobicContact CB-CE2 4.33Å; L486-F618 HydrophobicContact CB-CE1 4.37Å; L486-F618 HydrophobicContact CB-CE2 4.19Å; L486-F618 HydrophobicContact CB-CZ 4.08Å; L486-F618 HydrophobicContact CD1-CB 4.44Å; L486-F618 HydrophobicContact CD1-CD1 3.64Å; L486-F618 HydrophobicContact CD1-CD2 4.41Å; L486-F618 HydrophobicContact CD1-CE1 3.89Å; L486-F618 HydrophobicContact CD1-CG 3.92Å; L486-F618 HydrophobicContact CD1-CZ 4.39Å; L616-F618 HydrophobicContact CB-CD1 4.28Å; L616-F618 HydrophobicContact CB-CE1 3.79Å; L616-F618 HydrophobicContact CB-CZ 4.34Å; L616-F618 HydrophobicContact CD2-CE1 4Å; L616-F618 HydrophobicContact CG-CE1 4.3Å; L616-F618 PolarHBondContact O-N 3.28Å
619L82.5Confident75.3Confident1 Ų164.5 Ų64.51%0.00534%0.338CS..G310 helixtrans-96.2-2173.5-63.8179.3000113.9I482 I513 R514 L616 T617 L627 F628 L660I482-L619 HydrophobicContact CG2-CD1 3.71Å; I513-L619 HydrophobicContact CD1-CD1 4.42Å; I513-L619 HydrophobicContact CG2-CB 4.1Å; I513-L619 HydrophobicContact CG2-CD1 3.55Å; I513-L619 HydrophobicContact CG2-CG 4.47Å; R514-L619 PolarHBondContact NE-O 3.21Å; R514-L619 PolarHBondContact NH2-O 2.71Å; L616-L619 HydrophobicContact CB-CD1 4.45Å; L616-L619 PolarHBondContact O-N 3.2Å; T617-L619 PolarHBondContact O-N 2.91Å; T617-L619 VanDerWaalsContact O-N 3.14Å; L619-L627 HydrophobicContact CD2-CD2 3.5Å; L619-L627 VanDerWaalsContact CD2-CD2 3.5Å; L619-F628 HydrophobicContact CD2-CZ 4.25Å; L619-L660 HydrophobicContact CD1-CD1 4.41Å
620D79.1Confident73.2Confident40 Ų4061.5 Ų61.521%0.21432%0.317CS..SBendtrans-69.1142.1-176-69.5-23.3000111.9T617 D622T617-D620 WeakPolarHBondContact O-CB 3.43Å; T617-D620 PolarHBondContact O-N 3.28Å; T617-D620 VanDerWaalsContact O-N 3.1Å; D620-D622 PolarHBondContact O-N 3.35Å
621P61.6Low70.9Confident90 Ų9062.8 Ų62.858%0.58432%0.32SS*.SBendtrans-7210.9-16727.8-35000116.8C623P621-C623 PolarHBondContact O-N 2.87Å
622D56.2Low68.2Low129 Ų12967.4 Ų67.469%0.6935%0.353SS*.  trans-8244.3-177.6-62.8-29.5000113.3K225 D620K225-D622 PolarHBondContact NZ-O 3.33Å; K225-D622 VanDerWaalsContact NZ-O 3.08Å; D620-D622 PolarHBondContact O-N 3.35Å
623C48.2Very low65.4Low70 Ų7072.9 Ų72.947%0.47338%0.384SS..  trans-132.5128.4177.9-73.70000110P621 E625P621-C623 PolarHBondContact O-N 2.87Å; C623-E625 PolarHBondContact O-N 3.27Å
624D44.2Very low62.5Low185 Ų18579.2 Ų79.299%0.98941%0.407SS*.SBendtrans-60.711.6165.5-68.3-50.2000113.4
625E54.8Low59.7Low105 Ų10584 Ų8449%0.49144%0.441SS..SBendtrans-124121.5-179.3-67.6-162.3167.900111.2K490 C623 L627K490-E625 WeakPolarHBondContact CD-OE2 3.5Å; K490-E625 WeakPolarHBondContact CE-OE2 3.4Å; K490-E625 VanDerWaalsContact NZ-CD 3.28Å; K490-E625 IonicContact NZ-OE1 3.2Å; K490-E625 IonicContact NZ-OE2 3.53Å; K490-E625 PolarHBondContact NZ-OE2 2.91Å; C623-E625 PolarHBondContact O-N 3.27Å; E625-L627 PolarHBondContact O-N 3.41Å; E625-L627 VanDerWaalsContact O-N 3.13Å
626K58.7Low56.8Low116 Ų11688.7 Ų88.750%0.50446%0.464SS..  trans-64111.7171.3-63.7173172.4-170.20110.2F628 D629K626-F628 PolarHBondContact O-N 3.24Å; K626-D629 HydrophobicContact CB-CB 3.99Å; K626-D629 HydrophobicContact CD-CB 4.37Å; K626-D629 WeakPolarHBondContact CD-OD1 3.36Å; K626-D629 WeakPolarHBondContact CD-OD2 3.3Å; K626-D629 IonicContact NZ-OD1 3.94Å; K626-D629 PolarHBondContact NZ-OD1 2.65Å; K626-D629 IonicContact NZ-OD2 3.71Å; K626-D629 PolarHBondContact NZ-OD2 2.92Å
627L61.5Low54Low48 Ų4892.7 Ų92.725%0.25149%0.492SS..THydrogen-bonded Turntrans-71-19.6-173.7-155.2107.5000112.8K485 L619 E625K485-L627 HydrophobicContact CB-CD2 4.31Å; K485-L627 HydrophobicContact CG-CD2 4.39Å; L619-L627 HydrophobicContact CD2-CD2 3.5Å; L619-L627 VanDerWaalsContact CD2-CD2 3.5Å; E625-L627 PolarHBondContact O-N 3.41Å; E625-L627 VanDerWaalsContact O-N 3.13Å
628F65.9Low51.7Low18 Ų1897.5 Ų97.58%0.07952%0.523CS..THydrogen-bonded Turntrans-118.19.2-169.2-57.5-74.8000115L619 K626 D630 I631 E659 L660 Y663L619-F628 HydrophobicContact CD2-CZ 4.25Å; K626-F628 PolarHBondContact O-N 3.24Å; F628-D630 PolarHBondContact O-N 3.31Å; F628-I631 WeakPolarHBondContact O-CG1 3.49Å; F628-E659 HydrophobicContact CD2-CB 3.9Å; F628-E659 HydrophobicContact CE2-CB 4.36Å; F628-L660 HydrophobicContact CE1-CD1 4.46Å; F628-L660 HydrophobicContact CE2-CB 4.4Å; F628-L660 HydrophobicContact CZ-CB 4.46Å; F628-L660 HydrophobicContact CZ-CD1 3.82Å; F628-Y663 AromaticContact CD1-CD1 3.78Å; F628-Y663 HydrophobicContact CD1-CD1 3.78Å; F628-Y663 AromaticContact CD1-CD2 3.7Å; F628-Y663 HydrophobicContact CD1-CD2 3.7Å; F628-Y663 HydrophobicContact CD1-CE1 4.2Å; F628-Y663 HydrophobicContact CD1-CE2 4.14Å; F628-Y663 AromaticContact CD1-CG 3.48Å; F628-Y663 HydrophobicContact CD1-CG 3.48Å; F628-Y663 VanDerWaalsContact CD1-CG 3.48Å; F628-Y663 AromaticContact CE1-CD1 3.49Å; F628-Y663 HydrophobicContact CE1-CD1 3.49Å; F628-Y663 VanDerWaalsContact CE1-CD1 3.49Å; F628-Y663 HydrophobicContact CE1-CD2 4.3Å; F628-Y663 AromaticContact CE1-CE1 3.9Å; F628-Y663 HydrophobicContact CE1-CE1 3.9Å; F628-Y663 AromaticContact CE1-CG 3.69Å; F628-Y663 HydrophobicContact CE1-CG 3.69Å; F628-Y663 HydrophobicContact CG-CD2 4.49Å; F628-Y663 HydrophobicContact CG-CG 4.31Å; F628-Y663 HydrophobicContact CZ-CD1 4.42Å
629D53.9Low49.1Very low98 Ų98100.9 Ų100.952%0.52454%0.543SS..G310 helixtrans-73.5-12.9-172.6-109.619.8000115.6K626 I631K626-D629 HydrophobicContact CB-CB 3.99Å; K626-D629 HydrophobicContact CD-CB 4.37Å; K626-D629 WeakPolarHBondContact CD-OD1 3.36Å; K626-D629 WeakPolarHBondContact CD-OD2 3.3Å; K626-D629 IonicContact NZ-OD1 3.94Å; K626-D629 PolarHBondContact NZ-OD1 2.65Å; K626-D629 IonicContact NZ-OD2 3.71Å; K626-D629 PolarHBondContact NZ-OD2 2.92Å; D629-I631 VanDerWaalsContact C-N 3.31Å; D629-I631 PolarHBondContact O-N 3.08Å
630D51.4Low46.7Very low71 Ų71106.4 Ų106.438%0.3858%0.582SS.*G310 helixtrans-85.920.8-174-55.6-76.4000115.6R488 F628 S632 D633R488-D630 IonicContact CZ-OD2 3.94Å; R488-D630 IonicContact NH1-OD2 3.07Å; R488-D630 PolarHBondContact NH1-OD2 3.12Å; R488-D630 IonicContact NH2-OD1 3.58Å; R488-D630 IonicContact NH2-OD2 3.67Å; R488-D630 PolarHBondContact NH2-OD2 3.22Å; F628-D630 PolarHBondContact O-N 3.31Å; D630-S632 PolarHBondContact O-N 3.39Å; D630-D633 PolarHBondContact O-N 3.43Å
631I45.7Very low44.5Very low79 Ų79113.9 Ų113.941%0.40562%0.616SS.*G310 helixtrans-72.2-10.5-175.5-60.6171.4000112F628 D629 Y663F628-I631 WeakPolarHBondContact O-CG1 3.49Å; D629-I631 VanDerWaalsContact C-N 3.31Å; D629-I631 PolarHBondContact O-N 3.08Å; I631-Y663 HydrophobicContact CD1-CD2 3.83Å; I631-Y663 HydrophobicContact CD1-CE2 4.22Å
632S39.9Very low43Very low108 Ų108115 Ų11576%0.75563%0.626SS**G310 helixtrans-77.4-13.3175.662.40000115.3D630D630-S632 PolarHBondContact O-N 3.39Å
633D35.6Very low41.9Very low145 Ų145116.6 Ų116.678%0.77563%0.634SS**SBendtrans-129.46.4-167-102.3-4.1000116.7D630D630-D633 PolarHBondContact O-N 3.43Å
634R34Very low41.1Very low193 Ų193121.6 Ų121.673%0.72866%0.655SS**  trans-138.634.9-178-74.3-161.6-177.2-164.51.3116.7F636R634-F636 PolarHBondContact O-N 2.91Å
635S33.1Very low40.4Very low103 Ų103116.5 Ų116.572%0.7265%0.647SS**  trans-76.5106.7151.2540000107.9S637S635-S637 PolarHBondContact O-N 3.06Å
636F30.4Very low39.1Very low209 Ų209115 Ų11592%0.91766%0.66SS**  trans-66.181.6160-88.4-90.1000108R634R634-F636 PolarHBondContact O-N 2.91Å
637S31Very low37.7Very low84 Ų84120.2 Ų120.259%0.58768%0.678SS**  trans-112.3124.4155-163.20000104.7S635S635-S637 PolarHBondContact O-N 3.06Å
638P33.8Very low36.4Very low110 Ų110125.3 Ų125.371%0.71471%0.705SS**SBendtrans-65.3139.4164.330.5-28.5000106.6
639D29Very low34.6Very low117 Ų117134 Ų13463%0.62675%0.745SS**  trans88.897.2179.1-48.4-22.6000115.1
640S32.1Very low33.5Very low116 Ų116136.9 Ų136.981%0.81176%0.761SS**  167.2112.3100.3-590000110.4
641E32.8Very low32.3Very low197 Ų197138.4 Ų138.492%0.92178%0.777SS**  trans-74.7129.3155.5-75.7-178.1158.800108.8
642S31.8Very low31.6Very low115 Ų115139.7 Ų139.780%0.80479%0.793SS**  trans-173.7121.2135.641.10000111.4
643D32.3Very low31.1Very low162 Ų162143.7 Ų143.787%0.86680%0.799SS**  trans-54.1132.8161.5-91.7-39.4000111.7
644L30.4Very low31Very low174 Ų174142.2 Ų142.291%0.91180%0.798SS**  trans-159.7122.6135.4-143.475.7000111.9
645G31.3Very low31.2Very low79 Ų79142.1 Ų142.181%0.81481%0.805SS**  trans-74.1157.9175.700000114.5
646G26.8Very low31.7Very low74 Ų74143 Ų14376%0.76381%0.812SS**  trans-170.2132.6170.900000111.2
647Y29.4Very low32.8Very low225 Ų225139.8 Ų139.888%0.88280%0.8SS**  trans-73.7148.2-165.4-80.3-103.9000116
648L33.7Very low34.9Very low155 Ų155138.1 Ų138.181%0.81278%0.784SS**  trans6.8130.3149-71.1157.3000119.5
649E28Very low37.2Very low200 Ų200136.7 Ų136.794%0.93577%0.768SS**  trans-147.7140130.9-126.5173.5-164.900112
650D30.9Very low39.9Very low159 Ų159131.2 Ų131.285%0.8574%0.739SS**  trans-95.3125-161.9-169.711.4000110.1
651S27.4Very low42.4Very low102 Ų102127.7 Ų127.771%0.71371%0.71SS**  trans-154104167.167.70000113.4
652S29.4Very low45Very low106 Ų106123 Ų12374%0.74169%0.689SS**  trans49.8100146.259.80000118.5P654S652-P654 WeakPolarHBondContact O-CD 3.43Å
653H29.1Very low47.5Very low192 Ų192118.5 Ų118.589%0.88965%0.654SS**  trans-50.7122.2165.9-71.2-75.1000113.5
654P35.5Very low50.2Low115 Ų115110.9 Ų110.975%0.74761%0.613SS**  trans-79.2144.7147.219.3-3.8000108.9S652 S656S652-P654 WeakPolarHBondContact O-CD 3.43Å; P654-S656 PolarHBondContact O-N 3.39Å
655E36.6Very low52.9Low190 Ų190105.2 Ų105.289%0.88859%0.588SS**SBendtrans-40.5134.1179.3-64.3171.9154.300112.7Q657E655-Q657 PolarHBondContact O-N 3.41Å
656S44.3Very low55.6Low122 Ų122105.6 Ų105.685%0.85357%0.569SS**  trans-43.496.2-173.254.70000113.9P654P654-S656 PolarHBondContact O-N 3.39Å
657Q53.7Low58.3Low142 Ų142103 Ų10366%0.66454%0.537SS*.  trans-64136.5163.4-86.9176.9-19.600109.1E655 E659 Q662E655-Q657 PolarHBondContact O-N 3.41Å; Q657-E659 PolarHBondContact O-N 3.12Å; Q657-Q662 HydrophobicContact CB-CG 4.1Å
658D75.5Confident60.9Low48 Ų4895.1 Ų95.126%0.25751%0.51SS..  trans-54.7129.7179.6-170.818.4000111.1R514 L660 D661 Q662R514-D658 IonicContact CZ-OD1 3.54Å; R514-D658 IonicContact NH1-OD1 3.88Å; R514-D658 PolarHBondContact NH1-OD1 3.42Å; R514-D658 IonicContact NH1-OD2 3.53Å; D658-L660 PolarHBondContact O-N 2.79Å; D658-L660 VanDerWaalsContact O-N 3.16Å; D658-D661 HydrophobicContact CB-CB 4.05Å; D658-D661 WeakPolarHBondContact O-CA 3.23Å; D658-D661 WeakPolarHBondContact O-CB 3.35Å; D658-D661 PolarHBondContact O-N 3.04Å; D658-Q662 PolarHBondContact O-N 2.8Å
659E82.4Confident63.1Low80 Ų8094.1 Ų94.137%0.37450%0.501SS..Hα-helixtrans-56.5-35.2-177.5-67.6-175.4169.500112F628 Q657 D661 Q662 Y663F628-E659 HydrophobicContact CD2-CB 3.9Å; F628-E659 HydrophobicContact CE2-CB 4.36Å; Q657-E659 PolarHBondContact O-N 3.12Å; E659-D661 VanDerWaalsContact C-N 3.34Å; E659-Q662 PolarHBondContact O-N 2.92Å; E659-Y663 WeakPolarHBondContact O-CB 3.31Å; E659-Y663 PolarHBondContact O-N 3.31Å
660L84.3Confident65.2Low3 Ų388.5 Ų88.52%0.01648%0.484CS..Hα-helixtrans-65.7-38.3175.6178.564.1000111.4I513 L619 F628 D658 Y663 I664I513-L660 HydrophobicContact CG2-CD2 3.58Å; L619-L660 HydrophobicContact CD1-CD1 4.41Å; F628-L660 HydrophobicContact CE1-CD1 4.46Å; F628-L660 HydrophobicContact CE2-CB 4.4Å; F628-L660 HydrophobicContact CZ-CB 4.46Å; F628-L660 HydrophobicContact CZ-CD1 3.82Å; D658-L660 PolarHBondContact O-N 2.79Å; D658-L660 VanDerWaalsContact O-N 3.16Å; L660-Y663 PolarHBondContact O-N 2.76Å; L660-I664 HydrophobicContact CD1-CD1 4.09Å; L660-I664 HydrophobicContact CD1-CG1 4.31Å; L660-I664 HydrophobicContact CG-CD1 4Å; L660-I664 VanDerWaalsContact O-CG1 3.29Å; L660-I664 WeakPolarHBondContact O-CG1 3.48Å; L660-I664 PolarHBondContact O-N 2.98Å
661D85.8Confident66.8Low41 Ų4183 Ų8322%0.21946%0.457CS..Hα-helixtrans-68.3-39.3177.7-74.7-23.6000112R472 D658 E659 S665R472-D661 IonicContact CZ-OD1 2.72Å; R472-D661 IonicContact NH1-OD1 3.54Å; R472-D661 PolarHBondContact NH1-OD1 2.8Å; R472-D661 IonicContact NH1-OD2 3.5Å; R472-D661 IonicContact NH2-OD1 2.96Å; R472-D661 PolarHBondContact NH2-OD1 3.03Å; D658-D661 HydrophobicContact CB-CB 4.05Å; D658-D661 WeakPolarHBondContact O-CA 3.23Å; D658-D661 WeakPolarHBondContact O-CB 3.35Å; D658-D661 PolarHBondContact O-N 3.04Å; E659-D661 VanDerWaalsContact C-N 3.34Å; D661-S665 WeakPolarHBondContact O-CB 3.44Å; D661-S665 PolarHBondContact O-N 3.45Å; D661-S665 PolarHBondContact O-OG 2.87Å
662Q86.3Confident68.6Low100 Ų10081.8 Ų81.847%0.46745%0.448SS..Hα-helixtrans-63.8-44173.1-66-179.9-0.800110.9Q657 D658 E659 S665 H666Q657-Q662 HydrophobicContact CB-CG 4.1Å; D658-Q662 PolarHBondContact O-N 2.8Å; E659-Q662 PolarHBondContact O-N 2.92Å; Q662-S665 PolarHBondContact O-N 3.04Å; Q662-H666 WeakPolarHBondContact O-CB 3.39Å; Q662-H666 PolarHBondContact O-N 3.1Å
663Y85.4Confident70.1Confident19 Ų1981.5 Ų81.58%0.07544%0.438CS..Hα-helixtrans-61.1-49177.3179.9-113.4000112.4H481 F628 I631 E659 L660 S665 H666 L667H481-Y663 HydrophobicContact CB-CE1 4.38Å; F628-Y663 AromaticContact CD1-CD1 3.78Å; F628-Y663 HydrophobicContact CD1-CD1 3.78Å; F628-Y663 AromaticContact CD1-CD2 3.7Å; F628-Y663 HydrophobicContact CD1-CD2 3.7Å; F628-Y663 HydrophobicContact CD1-CE1 4.2Å; F628-Y663 HydrophobicContact CD1-CE2 4.14Å; F628-Y663 AromaticContact CD1-CG 3.48Å; F628-Y663 HydrophobicContact CD1-CG 3.48Å; F628-Y663 VanDerWaalsContact CD1-CG 3.48Å; F628-Y663 AromaticContact CE1-CD1 3.49Å; F628-Y663 HydrophobicContact CE1-CD1 3.49Å; F628-Y663 VanDerWaalsContact CE1-CD1 3.49Å; F628-Y663 HydrophobicContact CE1-CD2 4.3Å; F628-Y663 AromaticContact CE1-CE1 3.9Å; F628-Y663 HydrophobicContact CE1-CE1 3.9Å; F628-Y663 AromaticContact CE1-CG 3.69Å; F628-Y663 HydrophobicContact CE1-CG 3.69Å; F628-Y663 HydrophobicContact CG-CD2 4.49Å; F628-Y663 HydrophobicContact CG-CG 4.31Å; F628-Y663 HydrophobicContact CZ-CD1 4.42Å; I631-Y663 HydrophobicContact CD1-CD2 3.83Å; I631-Y663 HydrophobicContact CD1-CE2 4.22Å; E659-Y663 WeakPolarHBondContact O-CB 3.31Å; E659-Y663 PolarHBondContact O-N 3.31Å; L660-Y663 PolarHBondContact O-N 2.76Å; Y663-S665 VanDerWaalsContact C-N 3.34Å; Y663-S665 PolarHBondContact O-N 3.48Å; Y663-H666 PolarHBondContact O-N 2.98Å; Y663-L667 HydrophobicContact CD1-CD1 4.01Å; Y663-L667 HydrophobicContact CE1-CD1 3.53Å; Y663-L667 HydrophobicContact CE1-CG 4.47Å; Y663-L667 HydrophobicContact CE2-CD1 4.2Å; Y663-L667 HydrophobicContact CE2-CG 4.34Å; Y663-L667 WeakPolarHBondContact O-CG 3.39Å; Y663-L667 PolarHBondContact O-N 3.04Å
664I88.6Confident71.9Confident2 Ų279 Ų791%0.0142%0.424CS..Hα-helixtrans-61.7-44.3176.9-67.7170.5000110.2I478 F518 L660 H666 L667 L668I478-I664 HydrophobicContact CG2-CD1 4.48Å; I478-I664 HydrophobicContact CG2-CG1 4.01Å; I478-I664 HydrophobicContact CG2-CG2 4.36Å; F518-I664 HydrophobicContact CE1-CD1 4.07Å; F518-I664 HydrophobicContact CZ-CD1 4.49Å; L660-I664 HydrophobicContact CD1-CD1 4.09Å; L660-I664 HydrophobicContact CD1-CG1 4.31Å; L660-I664 HydrophobicContact CG-CD1 4Å; L660-I664 VanDerWaalsContact O-CG1 3.29Å; L660-I664 WeakPolarHBondContact O-CG1 3.48Å; L660-I664 PolarHBondContact O-N 2.98Å; I664-H666 VanDerWaalsContact C-N 3.34Å; I664-H666 PolarHBondContact O-N 2.7Å; I664-L667 PolarHBondContact O-N 2.85Å; I664-L668 HydrophobicContact CG2-CD1 3.92Å; I664-L668 HydrophobicContact CG2-CG 4.38Å; I664-L668 WeakPolarHBondContact O-CG 3.46Å; I664-L668 PolarHBondContact O-N 3.43Å
665S87.3Confident73.5Confident55 Ų5578.7 Ų78.739%0.38542%0.423SS..Hα-helixtrans-61.8-41.7179.1-60.50000111.9D661 Q662 Y663 L668 Q669D661-S665 WeakPolarHBondContact O-CB 3.44Å; D661-S665 PolarHBondContact O-N 3.45Å; D661-S665 PolarHBondContact O-OG 2.87Å; Q662-S665 PolarHBondContact O-N 3.04Å; Y663-S665 VanDerWaalsContact C-N 3.34Å; Y663-S665 PolarHBondContact O-N 3.48Å; S665-L668 PolarHBondContact O-N 2.88Å; S665-Q669 WeakPolarHBondContact O-CB 3.39Å; S665-Q669 VanDerWaalsContact O-CG 3.27Å; S665-Q669 WeakPolarHBondContact O-CG 3.47Å; S665-Q669 PolarHBondContact O-N 3.45Å
666H86.9Confident75.5Confident88 Ų8871.5 Ų71.541%0.40739%0.388SS..Hα-helixtrans-62.7-44.1176-179.3-93.6000112Q662 Y663 I664 L668 Q669 S670Q662-H666 WeakPolarHBondContact O-CB 3.39Å; Q662-H666 PolarHBondContact O-N 3.1Å; Y663-H666 PolarHBondContact O-N 2.98Å; I664-H666 VanDerWaalsContact C-N 3.34Å; I664-H666 PolarHBondContact O-N 2.7Å; H666-L668 VanDerWaalsContact C-N 3.32Å; H666-L668 PolarHBondContact O-N 2.71Å; H666-Q669 PolarHBondContact O-N 3.15Å; H666-S670 WeakPolarHBondContact O-CB 3.42Å; H666-S670 PolarHBondContact O-N 2.67Å; H666-S670 PolarHBondContact O-OG 3.36Å
667L84.8Confident77.1Confident19 Ų1966.2 Ų66.210%0.09935%0.35CS..Hα-helixtrans-64-34.5175.9-69.8176000113.1I478 H481 Y663 I664 S670 T671I478-L667 HydrophobicContact CD1-CB 3.72Å; I478-L667 HydrophobicContact CD1-CD1 4.04Å; H481-L667 HydrophobicContact CB-CD1 3.69Å; Y663-L667 HydrophobicContact CD1-CD1 4.01Å; Y663-L667 HydrophobicContact CE1-CD1 3.53Å; Y663-L667 HydrophobicContact CE1-CG 4.47Å; Y663-L667 HydrophobicContact CE2-CD1 4.2Å; Y663-L667 HydrophobicContact CE2-CG 4.34Å; Y663-L667 WeakPolarHBondContact O-CG 3.39Å; Y663-L667 PolarHBondContact O-N 3.04Å; I664-L667 PolarHBondContact O-N 2.85Å; L667-S670 PolarHBondContact O-OG 2.83Å; L667-S670 VanDerWaalsContact O-OG 3.08Å; L667-T671 PolarHBondContact O-OG1 3.01Å
668L83.9Confident78.1Confident59 Ų5960.5 Ų60.531%0.30933%0.326SS..Hα-helixtrans-73.2-38.6174.9-68.4172.7000111.6P475 I478 I664 S665 H666 T671P475-L668 HydrophobicContact CG-CD2 4.14Å; I478-L668 HydrophobicContact CD1-CD2 4.19Å; I478-L668 HydrophobicContact CD1-CG 4.4Å; I478-L668 HydrophobicContact CG1-CD2 4.39Å; I664-L668 HydrophobicContact CG2-CD1 3.92Å; I664-L668 HydrophobicContact CG2-CG 4.38Å; I664-L668 WeakPolarHBondContact O-CG 3.46Å; I664-L668 PolarHBondContact O-N 3.43Å; S665-L668 PolarHBondContact O-N 2.88Å; H666-L668 VanDerWaalsContact C-N 3.32Å; H666-L668 PolarHBondContact O-N 2.71Å; L668-T671 PolarHBondContact O-N 3.14Å; L668-T671 PolarHBondContact O-OG1 2.69Å
669Q79.8Confident77.7Confident134 Ų13463.6 Ų63.663%0.62635%0.348SS*.Hα-helixtrans-69.8-40.2179.1-75.3174.54.200112.8S665 H666 T671 S672S665-Q669 WeakPolarHBondContact O-CB 3.39Å; S665-Q669 VanDerWaalsContact O-CG 3.27Å; S665-Q669 WeakPolarHBondContact O-CG 3.47Å; S665-Q669 PolarHBondContact O-N 3.45Å; H666-Q669 PolarHBondContact O-N 3.15Å; Q669-T671 PolarHBondContact O-N 3.21Å; Q669-T671 VanDerWaalsContact O-N 3.09Å; Q669-S672 WeakPolarHBondContact O-CB 3.48Å; Q669-S672 PolarHBondContact O-N 3.29Å; Q669-S672 VanDerWaalsContact O-N 3.08Å; Q669-S672 PolarHBondContact O-OG 3.39Å
670S71.1Confident77Confident83 Ų8362.9 Ų62.958%0.5835%0.347SS*.THydrogen-bonded Turntrans-61.8-18.4178.865.90000113.6H666 L667H666-S670 WeakPolarHBondContact O-CB 3.42Å; H666-S670 PolarHBondContact O-N 2.67Å; H666-S670 PolarHBondContact O-OG 3.36Å; L667-S670 PolarHBondContact O-OG 2.83Å; L667-S670 VanDerWaalsContact O-OG 3.08Å
671T64.8Low75.5Confident44 Ų4466.3 Ų66.327%0.2737%0.37SS..THydrogen-bonded Turntrans-99.60.7179.351.40000114.1R477 H528 L667 L668 Q669R477-T671 PolarHBondContact NH2-OG1 2.97Å; H528-T671 PolarHBondContact CE1-O 2.81Å; H528-T671 PolarHBondContact ND1-O 2.9Å; L667-T671 PolarHBondContact O-OG1 3.01Å; L668-T671 PolarHBondContact O-N 3.14Å; L668-T671 PolarHBondContact O-OG1 2.69Å; Q669-T671 PolarHBondContact O-N 3.21Å; Q669-T671 VanDerWaalsContact O-N 3.09Å
672S64.9Low73.5Confident76 Ų7674 Ų7453%0.53140%0.402SS..PPolyproline II helixtrans-73.8130177.764.50000112Q669 K674Q669-S672 WeakPolarHBondContact O-CB 3.48Å; Q669-S672 PolarHBondContact O-N 3.29Å; Q669-S672 VanDerWaalsContact O-N 3.08Å; Q669-S672 PolarHBondContact O-OG 3.39Å; S672-K674 PolarHBondContact O-N 2.78Å
673L61.9Low71.2Confident100 Ų10076.8 Ų76.852%0.52441%0.412SS..PPolyproline II helixtrans-68.7123.2176.7-83.6151.3000109.8
674K66.6Low68.8Low140 Ų14081.8 Ų81.861%0.60945%0.45SS*.PPolyproline II helixtrans-84.9134.7167.5-60.9-175.6-176.6178.40108.5S672 Y676S672-K674 PolarHBondContact O-N 2.78Å; K674-Y676 HydrophobicContact CB-CD2 4.28Å; K674-Y676 HydrophobicContact CB-CE1 4.49Å; K674-Y676 HydrophobicContact CB-CE2 3.47Å; K674-Y676 VanDerWaalsContact CB-CE2 3.47Å; K674-Y676 HydrophobicContact CD-CE2 4.4Å; K674-Y676 WeakPolarHBondContact CD-OH 3.19Å
675C69.8Low66.5Low107 Ų10790.3 Ų90.372%0.72349%0.489SS*.  trans-104.3116.9-177.6-61.40000110.8
676Y77Confident64Low40 Ų4092.3 Ų92.316%0.15750%0.496CS..  trans-125.1-31.5179.9-53.5-73000112.5K674 F796 V801 L806 E809K674-Y676 HydrophobicContact CB-CD2 4.28Å; K674-Y676 HydrophobicContact CB-CE1 4.49Å; K674-Y676 HydrophobicContact CB-CE2 3.47Å; K674-Y676 VanDerWaalsContact CB-CE2 3.47Å; K674-Y676 HydrophobicContact CD-CE2 4.4Å; K674-Y676 WeakPolarHBondContact CD-OH 3.19Å; Y676-F796 VanDerWaalsContact O-CE2 3.3Å; Y676-F796 WeakPolarHBondContact O-CE2 3.48Å; Y676-V801 HydrophobicContact CD1-CG1 4.28Å; Y676-V801 HydrophobicContact CD1-CG2 3.83Å; Y676-V801 HydrophobicContact CD2-CG1 3.99Å; Y676-V801 HydrophobicContact CE1-CG2 3.65Å; Y676-V801 HydrophobicContact CE2-CG1 4.33Å; Y676-V801 HydrophobicContact CE2-CG2 4.42Å; Y676-V801 HydrophobicContact CG-CG1 3.92Å; Y676-V801 HydrophobicContact CG-CG2 4.3Å; Y676-L806 HydrophobicContact CD2-CD2 4.43Å; Y676-L806 HydrophobicContact CG-CD2 4.5Å; Y676-E809 WeakPolarHBondContact CA-OE2 3.37Å; Y676-E809 VanDerWaalsContact N-CD 3.28Å; Y676-E809 PolarHBondContact N-OE1 2.98Å; Y676-E809 PolarHBondContact N-OE2 3.26Å
677L79.2Confident61.7Low11 Ų1193.1 Ų93.16%0.05851%0.511CS..SBendtrans-76149.3179.9-68.3171.1000111.2L767 L780 L806 E809 L810 K813L677-L767 HydrophobicContact CD2-CD1 3.91Å; L677-L767 HydrophobicContact CD2-CD2 3.82Å; L677-L767 HydrophobicContact CD2-CG 3.74Å; L677-L780 HydrophobicContact CD1-CD1 4.47Å; L677-L806 WeakPolarHBondContact CD1-O 3.41Å; L677-L806 HydrophobicContact CD2-CD2 3.97Å; L677-L806 HydrophobicContact CG-CD2 3.95Å; L677-E809 WeakPolarHBondContact CB-OE1 3.35Å; L677-E809 HydrophobicContact CD1-CB 4.35Å; L677-E809 HydrophobicContact CD1-CG 4.43Å; L677-E809 VanDerWaalsContact N-CD 3.29Å; L677-E809 PolarHBondContact N-OE1 3.33Å; L677-E809 PolarHBondContact N-OE2 2.94Å; L677-L810 HydrophobicContact CD1-CB 3.97Å; L677-L810 HydrophobicContact CD1-CD1 4.42Å; L677-K813 PolarHBondContact O-NZ 3Å
678P74.3Confident59.7Low22 Ų2298.4 Ų98.414%0.14354%0.535CS..PPolyproline II helixtrans-61.6151.8-179.725.3-35000113.1K768 C770 K813P678-K768 WeakPolarHBondContact CG-O 3.46Å; P678-C770 VanDerWaalsContact CG-O 3.29Å; P678-C770 WeakPolarHBondContact CG-O 3.41Å; P678-K813 PolarHBondContact O-NZ 3.33Å
679P67Low57.7Low113 Ų11399.8 Ų99.873%0.73455%0.546SS*.PPolyproline II helixtrans-71.2153.1174.628.3-32.5000111.9
680L67.3Low55.9Low65 Ų6594.8 Ų94.834%0.3452%0.522SS..PPolyproline II helixtrans-71.2132.4-179.5-61.5169.8000111.2S771 L773 N817L680-S771 WeakPolarHBondContact CD2-O 3.48Å; L680-L773 HydrophobicContact CD1-CD1 4.32Å; L680-L773 HydrophobicContact CD1-CG 4.48Å; L680-L773 HydrophobicContact CD2-CD1 4.44Å; L680-L773 HydrophobicContact CD2-CD2 3.8Å; L680-L773 HydrophobicContact CD2-CG 3.75Å; L680-N817 WeakPolarHBondContact CD1-ND2 3.29Å
681C52.1Low54.1Low74 Ų7493.3 Ų93.350%0.551%0.512SS..PPolyproline II helixtrans-93.2116.7176.1-155.70000110.2K683C681-K683 VanDerWaalsContact C-N 3.28Å; C681-K683 PolarHBondContact O-N 3.19Å; C681-K683 VanDerWaalsContact O-N 3.14Å
682K44.8Very low52.6Low204 Ų20495.4 Ų95.489%0.88753%0.534SS*.  trans-83.443.4-178.7-68-174.6175.9-177.50113.7
683K38.2Very low51.1Low157 Ų15798.3 Ų98.368%0.68354%0.542SS*.  trans-103.5123.2173.9-72.4-173178.91800110C681 E685C681-K683 VanDerWaalsContact C-N 3.28Å; C681-K683 PolarHBondContact O-N 3.19Å; C681-K683 VanDerWaalsContact O-N 3.14Å; K683-E685 PolarHBondContact O-N 3.42Å
684S34.7Very low49.9Very low124 Ų12495.4 Ų95.487%0.86753%0.526SS*.THydrogen-bonded Turntrans-77.221-169.576.80000115.4
685E39.3Very low48.5Very low181 Ų18189.6 Ų89.685%0.84650%0.503SS*.THydrogen-bonded Turntrans-14329.8-176.2-69-168.6161.400113.1K683K683-E685 PolarHBondContact O-N 3.42Å
686D35.8Very low47Very low98 Ų9885.6 Ų85.652%0.52448%0.475SS..  trans-86.4116.5171-73.5-17.7000109.6H688D686-H688 PolarHBondContact O-N 2.96Å
687S38.7Very low44.9Very low104 Ų10490.7 Ų90.773%0.72749%0.494SS*.  trans-54.9125.3173.958.70000109.8V689S687-V689 PolarHBondContact O-N 3.26Å
688H42.3Very low42.9Very low131 Ų13193 Ų9361%0.60651%0.506SS*.  trans-46115.2165.5-72.3-84.4000108.9D686 F690D686-H688 PolarHBondContact O-N 2.96Å; H688-F690 WeakPolarHBondContact CB-O 3.48Å; H688-F690 PolarHBondContact O-N 2.77Å
689V43.2Very low41.5Very low87 Ų8793 Ų9353%0.52750%0.504SS..SBendtrans-62.4-25.1175.5179.10000109.3S687S687-V689 PolarHBondContact O-N 3.26Å
690F41.8Very low40.1Very low30 Ų3091.1 Ų91.113%0.13249%0.488CS..SBendtrans-118.1103.2173.4-54.6-84.6000109.5H688 A692 W750 D775H688-F690 WeakPolarHBondContact CB-O 3.48Å; H688-F690 PolarHBondContact O-N 2.77Å; F690-A692 PolarHBondContact O-N 2.95Å; F690-W750 AromaticContact CD1-CH2 3.75Å; F690-W750 HydrophobicContact CD1-CH2 3.75Å; F690-W750 HydrophobicContact CD1-CZ3 4.1Å; F690-W750 HydrophobicContact CE1-CE3 4.34Å; F690-W750 AromaticContact CE1-CH2 3.54Å; F690-W750 HydrophobicContact CE1-CH2 3.54Å; F690-W750 AromaticContact CE1-CZ3 3.39Å; F690-W750 HydrophobicContact CE1-CZ3 3.39Å; F690-W750 HydrophobicContact CZ-CH2 4.5Å; F690-W750 HydrophobicContact CZ-CZ3 4.11Å; F690-D775 HydrophobicContact CD2-CB 3.85Å; F690-D775 WeakPolarHBondContact CD2-OD1 3.26Å; F690-D775 HydrophobicContact CE2-CB 4.02Å
691S32.3Very low38.9Very low52 Ų5290.7 Ų90.736%0.36449%0.49SS..  trans-54.5141.8168.2178.60000109.4I693 H694S691-I693 PolarHBondContact O-N 2.92Å; S691-I693 WeakPolarHBondContact OG-CB 3.28Å; S691-I693 WeakPolarHBondContact OG-CD1 3.38Å; S691-I693 WeakPolarHBondContact OG-CG1 3.44Å; S691-H694 PolarHBondContact O-N 3.21Å; S691-H694 VanDerWaalsContact O-N 3.11Å
692A34.2Very low38.5Very low88 Ų8888 Ų8873%0.72747%0.471SS*.THydrogen-bonded Turntrans-56.48172.100000114.8F690F690-A692 PolarHBondContact O-N 2.95Å
693I32.6Very low38.4Very low136 Ų13679.6 Ų79.670%0.69744%0.436SS*.THydrogen-bonded Turntrans-104.1-17.1-175.6-59174.4000111.8S691 S695S691-I693 PolarHBondContact O-N 2.92Å; S691-I693 WeakPolarHBondContact OG-CB 3.28Å; S691-I693 WeakPolarHBondContact OG-CD1 3.38Å; S691-I693 WeakPolarHBondContact OG-CG1 3.44Å; I693-S695 PolarHBondContact O-N 2.96Å
694H36.7Very low38.8Very low40 Ų4074.4 Ų74.419%0.18542%0.422CS..SBendtrans-77.3109.7175.1-63.9-51.8000110.3S691 Y748S691-H694 PolarHBondContact O-N 3.21Å; S691-H694 VanDerWaalsContact O-N 3.11Å; H694-Y748 AromaticContact CE1-CD2 3.78Å; H694-Y748 AromaticContact NE2-CD2 3.49Å; H694-Y748 WeakPolarHBondContact NE2-CD2 3.36Å; H694-Y748 AromaticContact NE2-CG 3.79Å
695S38Very low39.2Very low18 Ų1876.5 Ų76.513%0.12642%0.416CS..  trans-89.1144.2-165.490.40000110.4I693 R697 D698 V722I693-S695 PolarHBondContact O-N 2.96Å; S695-R697 PolarHBondContact O-N 2.92Å; S695-R697 WeakPolarHBondContact OG-CB 3.41Å; S695-R697 PolarHBondContact OG-N 3.17Å; S695-D698 WeakPolarHBondContact O-CB 3.45Å; S695-D698 PolarHBondContact O-N 3.35Å; S695-V722 CarbonylContact C-O 3.54Å
696T36.9Very low39.4Very low22 Ų2269.9 Ų69.914%0.13539%0.392CS..Hα-helixtrans-53.6-15.3173.2-34.10000112.4D698 I699 L700 V722 H726T696-D698 VanDerWaalsContact C-N 3.3Å; T696-D698 PolarHBondContact O-N 3.35Å; T696-I699 PolarHBondContact O-N 2.68Å; T696-L700 HydrophobicContact CG2-CD1 4.45Å; T696-L700 HydrophobicContact CG2-CG 4.41Å; T696-L700 VanDerWaalsContact O-CB 3.3Å; T696-L700 WeakPolarHBondContact O-CB 3.4Å; T696-L700 WeakPolarHBondContact O-CG 3.4Å; T696-L700 PolarHBondContact O-N 3.43Å; T696-V722 WeakPolarHBondContact CB-O 3.24Å; T696-V722 PolarHBondContact N-O 3.47Å; T696-V722 PolarHBondContact OG1-O 3.43Å; T696-V722 VanDerWaalsContact OG1-O 3.05Å; T696-H726 WeakPolarHBondContact CG2-CE1 3.29Å
697R34.2Very low39.6Very low148 Ų14872.5 Ų72.556%0.55840%0.398SS*.Hα-helixtrans-59.6-36.1168.3-157.8174121135.51.1113.1S695 S701 V722S695-R697 PolarHBondContact O-N 2.92Å; S695-R697 WeakPolarHBondContact OG-CB 3.41Å; S695-R697 PolarHBondContact OG-N 3.17Å; R697-S701 WeakPolarHBondContact O-CB 3.36Å; R697-S701 PolarHBondContact O-N 3.32Å; R697-S701 PolarHBondContact O-OG 2.94Å; R697-V722 HydrophobicContact CB-CB 3.72Å; R697-V722 HydrophobicContact CB-CG1 3.7Å; R697-V722 HydrophobicContact CB-CG2 3.84Å; R697-V722 HydrophobicContact CG-CG1 4.46Å; R697-V722 HydrophobicContact CG-CG2 4.12Å
698D37.6Very low39.4Very low58 Ų5870.7 Ų70.731%0.3140%0.396SS..Hα-helixtrans-76.5-35.4-179.1-57.2-39.2000109.5S695 T696 V702S695-D698 WeakPolarHBondContact O-CB 3.45Å; S695-D698 PolarHBondContact O-N 3.35Å; T696-D698 VanDerWaalsContact C-N 3.3Å; T696-D698 PolarHBondContact O-N 3.35Å; D698-V702 VanDerWaalsContact O-CB 3.3Å; D698-V702 WeakPolarHBondContact O-CB 3.49Å; D698-V702 WeakPolarHBondContact O-CG2 3.42Å; D698-V702 PolarHBondContact O-N 2.87Å
699I42.9Very low39.1Very low23 Ų2370.6 Ų70.612%0.11840%0.399CS..Hα-helixtrans-70.6-45173.3-59.3169000111T696 V702 M703 W750 I782T696-I699 PolarHBondContact O-N 2.68Å; I699-V702 PolarHBondContact O-N 3.03Å; I699-M703 HydrophobicContact CG2-SD 4.49Å; I699-M703 WeakPolarHBondContact O-CG 3.37Å; I699-M703 PolarHBondContact O-N 2.72Å; I699-W750 HydrophobicContact CD1-CH2 4.21Å; I699-W750 HydrophobicContact CD1-CZ2 3.66Å; I699-W750 HydrophobicContact CG1-CZ2 3.74Å; I699-I782 HydrophobicContact CD1-CD1 4.14Å; I699-I782 HydrophobicContact CG2-CG1 4.34Å
700L39.3Very low38.4Very low74 Ų7475.8 Ų75.839%0.38742%0.418SS..Hα-helixtrans-73.1-36-180-74.6177.3000113.9T696 V702 M703 A704 H726T696-L700 HydrophobicContact CG2-CD1 4.45Å; T696-L700 HydrophobicContact CG2-CG 4.41Å; T696-L700 VanDerWaalsContact O-CB 3.3Å; T696-L700 WeakPolarHBondContact O-CB 3.4Å; T696-L700 WeakPolarHBondContact O-CG 3.4Å; T696-L700 PolarHBondContact O-N 3.43Å; L700-V702 PolarHBondContact O-N 3.15Å; L700-M703 PolarHBondContact O-N 3.14Å; L700-A704 WeakPolarHBondContact O-CB 3.14Å; L700-A704 PolarHBondContact O-N 3.01Å; L700-H726 WeakPolarHBondContact CD1-CE1 3.49Å
701S41.8Very low37.7Very low55 Ų5579.9 Ų79.939%0.38545%0.446SS..Hα-helixtrans-69-27.5175.183.90000111.9R697 K705R697-S701 WeakPolarHBondContact O-CB 3.36Å; R697-S701 PolarHBondContact O-N 3.32Å; R697-S701 PolarHBondContact O-OG 2.94Å; S701-K705 WeakPolarHBondContact O-CG 3.48Å; S701-K705 PolarHBondContact O-N 3.07Å
702V44.2Very low37.3Very low17 Ų1783.2 Ų83.210%0.10347%0.466CS..Hα-helixtrans-75.6-40.1173.2171.40000111.1D698 I699 L700 K705 A706 R752 M758D698-V702 VanDerWaalsContact O-CB 3.3Å; D698-V702 WeakPolarHBondContact O-CB 3.49Å; D698-V702 WeakPolarHBondContact O-CG2 3.42Å; D698-V702 PolarHBondContact O-N 2.87Å; I699-V702 PolarHBondContact O-N 3.03Å; L700-V702 PolarHBondContact O-N 3.15Å; V702-K705 PolarHBondContact O-N 3.32Å; V702-A706 WeakPolarHBondContact O-CB 3.3Å; V702-A706 PolarHBondContact O-N 2.89Å; V702-R752 VanDerWaalsContact CG1-NH2 3.32Å; V702-M758 HydrophobicContact CG1-CG 4.26Å
703M42.6Very low36.8Very low28 Ų2888.6 Ų88.614%0.13847%0.473CS..Hα-helixtrans-67.7-36.6172.7-77.1-176164.300113.9I699 L700 K705 A706 K707 V785 I786I699-M703 HydrophobicContact CG2-SD 4.49Å; I699-M703 WeakPolarHBondContact O-CG 3.37Å; I699-M703 PolarHBondContact O-N 2.72Å; L700-M703 PolarHBondContact O-N 3.14Å; M703-K705 VanDerWaalsContact C-N 3.31Å; M703-A706 PolarHBondContact O-N 3.43Å; M703-K707 WeakPolarHBondContact O-CB 3.48Å; M703-K707 PolarHBondContact O-N 3.19Å; M703-V785 HydrophobicContact CE-CB 4.01Å; M703-V785 HydrophobicContact CE-CG1 3.54Å; M703-V785 HydrophobicContact SD-CG1 3.92Å; M703-I786 HydrophobicContact CE-CD1 3.94Å; M703-I786 HydrophobicContact CE-CG1 3.5Å; M703-I786 VanDerWaalsContact CE-CG1 3.5Å
704A46.5Very low36.3Very low49 Ų4991.5 Ų91.541%0.40548%0.481SS..Hα-helixtrans-65.7-36.2175.300000111.5L700 G708L700-A704 WeakPolarHBondContact O-CB 3.14Å; L700-A704 PolarHBondContact O-N 3.01Å; A704-G708 PolarHBondContact O-N 2.99Å
705K42.9Very low35.8Very low168 Ų16895 Ų9573%0.7351%0.507SS*.Hα-helixtrans-70.7-38.8172.4-77.2178.5177-179.40112.8S701 V702 M703 K707S701-K705 WeakPolarHBondContact O-CG 3.48Å; S701-K705 PolarHBondContact O-N 3.07Å; V702-K705 PolarHBondContact O-N 3.32Å; M703-K705 VanDerWaalsContact C-N 3.31Å; K705-K707 VanDerWaalsContact C-N 3.34Å; K705-K707 PolarHBondContact O-N 3Å
706A42.8Very low35Very low41 Ų41103.2 Ų103.234%0.33955%0.546SS..Hα-helixtrans-67.5-29.4175.800000113.6V702 M703 E757V702-A706 WeakPolarHBondContact O-CB 3.3Å; V702-A706 PolarHBondContact O-N 2.89Å; M703-A706 PolarHBondContact O-N 3.43Å; A706-E757 WeakPolarHBondContact CA-OE1 3.27Å; A706-E757 WeakPolarHBondContact CB-OE1 3.2Å; A706-E757 WeakPolarHBondContact CB-OE2 3.42Å
707K39.1Very low34.2Very low153 Ų153107.9 Ų107.967%0.66558%0.575SS**THydrogen-bonded Turntrans-93.92.1179.9-71.7-171.5175.7-177.50115.3M703 K705 L709M703-K707 WeakPolarHBondContact O-CB 3.48Å; M703-K707 PolarHBondContact O-N 3.19Å; K705-K707 VanDerWaalsContact C-N 3.34Å; K705-K707 PolarHBondContact O-N 3Å; K707-L709 PolarHBondContact O-N 2.77Å
708G35.2Very low33.7Very low66 Ų66106.7 Ų106.768%0.6858%0.579SS**THydrogen-bonded Turntrans66.528.1172.700000116.3A704A704-G708 PolarHBondContact O-N 2.99Å
709L36.4Very low33.2Very low129 Ų129106 Ų10668%0.67558%0.577SS**  trans-97.3103.2179.6-77158.3000111K707K707-L709 PolarHBondContact O-N 2.77Å
710E28.5Very low32.3Very low197 Ų197108.4 Ų108.492%0.92159%0.593SS**  trans-82.8115.4165.1-72.1-165.5165.800110.1
711T26.3Very low31.8Very low116 Ų116113.2 Ų113.271%0.71261%0.611SS**  trans-118.6133.4166.141.20000110.5
712P25.3Very low31.5Very low121 Ų121112.1 Ų112.179%0.78660%0.601SS**  trans-73.3136.8-173.628.5-33.4000112.6
713F23.2Very low30.9Very low202 Ų202116.4 Ų116.489%0.88662%0.623SS**  trans-77.4134175.5-97-98.8000111.9
714F21.4Very low30.4Very low196 Ų196116 Ų11686%0.8662%0.624SS**  trans-118.6137153.1-85.3-82.3000109.8
715P26.6Very low29.7Very low113 Ų113115.2 Ų115.273%0.73462%0.62SS**  trans-92.5128.1-16634.1-30.5000112.7
716M21.5Very low29.2Very low192 Ų192110.7 Ų110.795%0.94660%0.601SS**  trans-141.1133147.4-90.3-153.2-8000109.4
717V20.7Very low28.7Very low120 Ų120111.7 Ų111.773%0.72760%0.596SS**  trans-82.3128.4-169.8170.50000111.6L739V717-L739 HydrophobicContact CG1-CD2 4.36Å
718L22.4Very low28.4Very low123 Ų123112.1 Ų112.164%0.64460%0.598SS**  trans-158143.7130.4-120.7123.9000111L739L718-L739 HydrophobicContact CD1-CD1 3.73Å; L718-L739 HydrophobicContact CD1-CG 3.91Å; L718-L739 HydrophobicContact CD2-CG 4.31Å; L718-L739 HydrophobicContact CG-CD1 4.29Å; L718-L739 HydrophobicContact CG-CG 3.92Å
719P28.1Very low28.4Very low44 Ų44111.3 Ų111.329%0.28658%0.582SS.*  trans-104.3148.5-166.233.7-21.4000116.2K742P719-K742 HydrophobicContact CB-CD 4.03Å; P719-K742 HydrophobicContact CB-CG 3.69Å; P719-K742 HydrophobicContact CG-CG 3.9Å
720T23.9Very low28.2Very low72 Ų72105.9 Ų105.944%0.44255%0.553SS.*  trans63.499.4154.336.40000120.2
721K28.5Very low28.6Very low176 Ų176101 Ų10177%0.76553%0.533SS*.  trans170.3127.2130.5-89.1167.3-171.5-170.40108S724K721-S724 PolarHBondContact O-OG 3.38Å
722V35Very low29.3Very low31 Ų3196.1 Ų96.119%0.18850%0.503CS..SBendtrans-134.849.8-175-171.60000110.9S695 T696 R697S695-V722 CarbonylContact C-O 3.54Å; T696-V722 WeakPolarHBondContact CB-O 3.24Å; T696-V722 PolarHBondContact N-O 3.47Å; T696-V722 PolarHBondContact OG1-O 3.43Å; T696-V722 VanDerWaalsContact OG1-O 3.05Å; R697-V722 HydrophobicContact CB-CB 3.72Å; R697-V722 HydrophobicContact CB-CG1 3.7Å; R697-V722 HydrophobicContact CB-CG2 3.84Å; R697-V722 HydrophobicContact CG-CG1 4.46Å; R697-V722 HydrophobicContact CG-CG2 4.12Å
723L32.2Very low29.7Very low107 Ų10792.6 Ų92.656%0.5648%0.479SS*.SBendtrans-99.5-13.2138.1-80.5159.2000110.1
724S31.7Very low30Very low21 Ų2190.5 Ų90.515%0.14748%0.477CS..SBendtrans-85.8-1.7170.558.60000114.3K721 R727 K728 E937K721-S724 PolarHBondContact O-OG 3.38Å; S724-R727 PolarHBondContact O-N 3.07Å; S724-K728 PolarHBondContact O-N 3.32Å; S724-E937 WeakPolarHBondContact CB-OE1 3.38Å
725G31.2Very low30.3Very low31 Ų3186 Ų8632%0.3247%0.47SS..SBendtrans-73-32.6179.200000114.7R727G725-R727 VanDerWaalsContact C-N 3.35Å
726H33.1Very low30.3Very low74 Ų7486.1 Ų86.134%0.34347%0.474SS..THydrogen-bonded Turntrans-87.8-8.4175.4-65.975.2000112.3T696 L700T696-H726 WeakPolarHBondContact CG2-CE1 3.29Å; L700-H726 WeakPolarHBondContact CD1-CE1 3.49Å
727R33.3Very low30.5Very low62 Ų6285.3 Ų85.323%0.23447%0.467CS..THydrogen-bonded Turntrans-95.410.3168.3-70.4-166175.6146.12.7113.7S724 G725 S729 L730 E941S724-R727 PolarHBondContact O-N 3.07Å; G725-R727 VanDerWaalsContact C-N 3.35Å; R727-S729 PolarHBondContact O-N 3.44Å; R727-S729 VanDerWaalsContact O-N 3.15Å; R727-L730 HydrophobicContact CB-CB 4.39Å; R727-L730 HydrophobicContact CB-CD1 4.44Å; R727-L730 HydrophobicContact CG-CD1 4.06Å; R727-L730 WeakPolarHBondContact O-CA 3.49Å; R727-L730 WeakPolarHBondContact O-CB 3.48Å; R727-L730 PolarHBondContact O-N 2.95Å; R727-E941 IonicContact CZ-OE2 2.86Å; R727-E941 IonicContact NH1-OE2 3.56Å; R727-E941 PolarHBondContact NH1-OE2 3.02Å; R727-E941 IonicContact NH2-OE2 2.83Å
728K32.9Very low30.7Very low161 Ų16185 Ų8570%0.747%0.466SS*.THydrogen-bonded Turntrans-68.3-8.1175.4-89.6-172.8176.6-1750114.7S724S724-K728 PolarHBondContact O-N 3.32Å
729S33.3Very low30.9Very low49 Ų4984.7 Ų84.734%0.34346%0.464SS..THydrogen-bonded Turntrans-92.6-0.4164.275.50000114.2R727R727-S729 PolarHBondContact O-N 3.44Å; R727-S729 VanDerWaalsContact O-N 3.15Å
730L32.9Very low30.7Very low15 Ų1590 Ų908%0.07949%0.489CS..  trans-105.815.9175.9-71.8168000112.6R727 L732 I887R727-L730 HydrophobicContact CB-CB 4.39Å; R727-L730 HydrophobicContact CB-CD1 4.44Å; R727-L730 HydrophobicContact CG-CD1 4.06Å; R727-L730 WeakPolarHBondContact O-CA 3.49Å; R727-L730 WeakPolarHBondContact O-CB 3.48Å; R727-L730 PolarHBondContact O-N 2.95Å; L730-L732 HydrophobicContact CB-CD1 4.48Å; L730-L732 HydrophobicContact CD2-CD1 3.6Å; L730-L732 HydrophobicContact CD2-CG 4.19Å; L730-L732 PolarHBondContact O-N 3.48Å; L730-I887 HydrophobicContact CD1-CD1 4.38Å; L730-I887 HydrophobicContact CD2-CD1 3.91Å; L730-I887 HydrophobicContact CD2-CG1 4.4Å
731N36.3Very low30.8Very low94 Ų9496 Ų9650%0.50351%0.51SS..  trans-67.572.8156.9-80.2-13000108.4V733N731-V733 PolarHBondContact O-N 3.01Å
732L40.9Very low30.7Very low14 Ų1494.3 Ų94.37%0.07350%0.502CS..  trans-75.7-11.5178.9-73168.3000110.9L730 L855 Q922 A925L730-L732 HydrophobicContact CB-CD1 4.48Å; L730-L732 HydrophobicContact CD2-CD1 3.6Å; L730-L732 HydrophobicContact CD2-CG 4.19Å; L730-L732 PolarHBondContact O-N 3.48Å; L732-L855 HydrophobicContact CD2-CD1 4.14Å; L732-L855 HydrophobicContact CD2-CD2 4.31Å; L732-Q922 HydrophobicContact CB-CG 3.82Å; L732-Q922 HydrophobicContact CD2-CB 3.43Å; L732-Q922 VanDerWaalsContact CD2-CB 3.43Å; L732-Q922 HydrophobicContact CD2-CG 3.41Å; L732-Q922 VanDerWaalsContact CD2-CG 3.41Å; L732-Q922 HydrophobicContact CG-CB 4.32Å; L732-Q922 HydrophobicContact CG-CG 4.08Å; L732-Q922 PolarHBondContact O-NE2 3.29Å; L732-A925 HydrophobicContact CD1-CB 3.52Å
733V34.1Very low30.2Very low48 Ų4898.8 Ų98.829%0.29153%0.53SS..SBendtrans-134.8113.1177.4-166.50000107.7N731 T926N731-V733 PolarHBondContact O-N 3.01Å; V733-T926 HydrophobicContact CG2-CG2 3.74Å; V733-T926 WeakPolarHBondContact CG2-OG1 3.44Å
734D30.7Very low30Very low158 Ų15899.7 Ų99.785%0.84554%0.542SS*.  trans-72.3126.8172.2-128.1-7.6000108.2
735S26.1Very low29.9Very low101 Ų101105.4 Ų105.471%0.70657%0.567SS**  trans-145.2117.6171.1-69.60000110
736S26.7Very low29.8Very low115 Ų115114.4 Ų114.480%0.80459%0.593SS**  trans-71.7124.4173.6-52.30000109.8
737Q26.7Very low29.7Very low175 Ų175117.4 Ų117.482%0.81861%0.611SS**  166142.6123.1-89.7-178.313.100117.2
738T24Very low30Very low114 Ų114122.5 Ų122.570%0.69963%0.631SS**  trans58.8125.4144.350.60000124.2
739L27.1Very low30.8Very low116 Ų116121.9 Ų121.961%0.60763%0.631SS**  trans-54126.4172.1-84.294.9000113.8V717 L718V717-L739 HydrophobicContact CG1-CD2 4.36Å; L718-L739 HydrophobicContact CD1-CD1 3.73Å; L718-L739 HydrophobicContact CD1-CG 3.91Å; L718-L739 HydrophobicContact CD2-CG 4.31Å; L718-L739 HydrophobicContact CG-CD1 4.29Å; L718-L739 HydrophobicContact CG-CG 3.92Å
740L24.3Very low31.8Very low155 Ų155121.2 Ų121.281%0.81262%0.621SS**  trans-128147.7160.4-95158.1000112.1
741K26.6Very low33.2Very low200 Ų200121.4 Ų121.487%0.8762%0.623SS**PPolyproline II helixtrans-60142.9-160.4-75.2166.7170172.20115.8
742K26.1Very low34.3Very low139 Ų139121.1 Ų121.160%0.60462%0.615SS**PPolyproline II helixtrans-66.3137.3168.7-77.5-173.8174.3-169.20112.8P719P719-K742 HydrophobicContact CB-CD 4.03Å; P719-K742 HydrophobicContact CB-CG 3.69Å; P719-K742 HydrophobicContact CG-CG 3.9Å
743T23.5Very low35.4Very low126 Ų126123 Ų12377%0.77363%0.625SS**PPolyproline II helixtrans-99163158.532.70000110.7
744P28.8Very low36.4Very low126 Ų126128.7 Ų128.782%0.81865%0.653SS**PPolyproline II helixtrans-79.6139.4-167.46.88.7000113.6
745E29.5Very low37.4Very low141 Ų141129.2 Ų129.266%0.65965%0.65SS**PPolyproline II helixtrans-77.9136.6177.4-77.2165.5160.900111.9
746Y28.4Very low38.8Very low220 Ų220125.8 Ų125.886%0.86363%0.632SS**  trans-104.4118.3162.8-97.9-92.1000108
747D31.5Very low40.3Very low137 Ų137124.4 Ų124.473%0.73361%0.612SS**  trans-78.6116179.9-90.9-30.5000111.9
748Y38.9Very low42.2Very low168 Ų168117 Ų11766%0.65958%0.578SS**PPolyproline II helixtrans-102.2122160.8-103.4-94.9000109.1H694H694-Y748 AromaticContact CE1-CD2 3.78Å; H694-Y748 AromaticContact NE2-CD2 3.49Å; H694-Y748 WeakPolarHBondContact NE2-CD2 3.36Å; H694-Y748 AromaticContact NE2-CG 3.79Å
749H49.5Very low44.8Very low149 Ų149112.7 Ų112.769%0.6955%0.551SS**PPolyproline II helixtrans-87.8124.6178.8-90-74.2000112
750W56.1Low47.3Very low35 Ų35107.8 Ų107.813%0.13353%0.526CS..PPolyproline II helixtrans-60.7146.3168.5-62.9100.6000111.4F690 I699 R752 M758 I782F690-W750 AromaticContact CD1-CH2 3.75Å; F690-W750 HydrophobicContact CD1-CH2 3.75Å; F690-W750 HydrophobicContact CD1-CZ3 4.1Å; F690-W750 HydrophobicContact CE1-CE3 4.34Å; F690-W750 AromaticContact CE1-CH2 3.54Å; F690-W750 HydrophobicContact CE1-CH2 3.54Å; F690-W750 AromaticContact CE1-CZ3 3.39Å; F690-W750 HydrophobicContact CE1-CZ3 3.39Å; F690-W750 HydrophobicContact CZ-CH2 4.5Å; F690-W750 HydrophobicContact CZ-CZ3 4.11Å; I699-W750 HydrophobicContact CD1-CH2 4.21Å; I699-W750 HydrophobicContact CD1-CZ2 3.66Å; I699-W750 HydrophobicContact CG1-CZ2 3.74Å; W750-R752 PolarHBondContact O-N 3.48Å; W750-M758 HydrophobicContact CB-SD 3.84Å; W750-M758 HydrophobicContact CG-SD 4.31Å; W750-I782 HydrophobicContact CE3-CD1 4.37Å; W750-I782 HydrophobicContact CH2-CD1 4.3Å; W750-I782 HydrophobicContact CZ3-CD1 4.02Å
751P60.6Low49.8Very low18 Ų18108.2 Ų108.212%0.11752%0.524CS..PPolyproline II helixtrans-60.4121.6179.4-16.128.7000110.3D759 K762 L763 K766P751-D759 HydrophobicContact CB-CB 4.24Å; P751-D759 PolarHBondContact O-N 2.87Å; P751-K762 HydrophobicContact CB-CB 3.76Å; P751-K762 HydrophobicContact CB-CD 3.85Å; P751-K762 HydrophobicContact CB-CG 4.47Å; P751-K762 HydrophobicContact CG-CB 4.31Å; P751-L763 HydrophobicContact CG-CD2 4.37Å; P751-K766 HydrophobicContact CG-CD 4.39Å
752R60.1Low52.3Low89 Ų89103.7 Ų103.734%0.33650%0.504SS..BIsolated β-bridgetrans-113150.3173.5-67.3178-172.9-119.310.9110.6V702 W750 G756 E757 K762V702-R752 VanDerWaalsContact CG1-NH2 3.32Å; W750-R752 PolarHBondContact O-N 3.48Å; R752-G756 WeakPolarHBondContact CD-O 3.47Å; R752-G756 PolarHBondContact NH1-O 3.41Å; R752-E757 CarbonylContact C-O 3.56Å; R752-E757 WeakPolarHBondContact CA-O 3.5Å; R752-E757 WeakPolarHBondContact CB-O 3.42Å; R752-K762 PolarHBondContact O-NZ 3.11Å
753D64.9Low54.8Low53 Ų5397.1 Ų97.128%0.28348%0.475SS..  trans-80176.9170.166.616.9000110.7H755 G756 E757 D759D753-H755 PolarHBondContact O-N 2.91Å; D753-H755 WeakPolarHBondContact OD1-CA 3.28Å; D753-H755 WeakPolarHBondContact OD1-CB 3.23Å; D753-H755 PolarHBondContact OD1-N 3.22Å; D753-G756 PolarHBondContact O-N 3.26Å; D753-G756 PolarHBondContact OD1-N 3.4Å; D753-G756 VanDerWaalsContact OD1-N 3.1Å; D753-E757 PolarHBondContact N-O 3.01Å; D753-E757 PolarHBondContact OD1-N 3.48Å; D753-D759 HydrophobicContact CB-CB 4.37Å
754D54.6Low57.6Low167 Ų16791.6 Ų91.689%0.89344%0.441SS*.THydrogen-bonded Turntrans-65.4-8.6-177.8-61.1-27.5000113.1
755H50.8Low60Low169 Ų16986.9 Ų86.978%0.78242%0.416SS*.THydrogen-bonded Turntrans-100.6-2.1176.7-58.5-57.5000113.1D753 E757D753-H755 PolarHBondContact O-N 2.91Å; D753-H755 WeakPolarHBondContact OD1-CA 3.28Å; D753-H755 WeakPolarHBondContact OD1-CB 3.23Å; D753-H755 PolarHBondContact OD1-N 3.22Å; H755-E757 VanDerWaalsContact C-N 3.33Å
756G55.1Low62.4Low30 Ų3084.1 Ų84.131%0.30940%0.401SS..SBendtrans83.46-179.600000114.2R752 D753R752-G756 WeakPolarHBondContact CD-O 3.47Å; R752-G756 PolarHBondContact NH1-O 3.41Å; D753-G756 PolarHBondContact O-N 3.26Å; D753-G756 PolarHBondContact OD1-N 3.4Å; D753-G756 VanDerWaalsContact OD1-N 3.1Å
757E58.5Low65Low85 Ų8573.6 Ų73.640%0.39736%0.36SS..SBendtrans-86.6161.9174.5-71.7-61.3140.300110.9A706 R752 D753 H755 D759A706-E757 WeakPolarHBondContact CA-OE1 3.27Å; A706-E757 WeakPolarHBondContact CB-OE1 3.2Å; A706-E757 WeakPolarHBondContact CB-OE2 3.42Å; R752-E757 CarbonylContact C-O 3.56Å; R752-E757 WeakPolarHBondContact CA-O 3.5Å; R752-E757 WeakPolarHBondContact CB-O 3.42Å; D753-E757 PolarHBondContact N-O 3.01Å; D753-E757 PolarHBondContact OD1-N 3.48Å; H755-E757 VanDerWaalsContact C-N 3.33Å; E757-D759 PolarHBondContact O-N 2.86Å
758M67.7Low67.2Low19 Ų1970.8 Ų70.89%0.09434%0.342CS..BIsolated β-bridgetrans-69.7121.7-179.2-79.5-111.4-72.500111.8V702 W750 C760 L763 I782 I786V702-M758 HydrophobicContact CG1-CG 4.26Å; W750-M758 HydrophobicContact CB-SD 3.84Å; W750-M758 HydrophobicContact CG-SD 4.31Å; M758-C760 PolarHBondContact O-N 2.86Å; M758-L763 HydrophobicContact CE-CD1 4.17Å; M758-I782 HydrophobicContact CE-CB 4.33Å; M758-I782 HydrophobicContact CE-CD1 4.27Å; M758-I782 HydrophobicContact CE-CG1 4.34Å; M758-I782 HydrophobicContact CE-CG2 3.11Å; M758-I786 HydrophobicContact CB-CD1 3.92Å; M758-I786 HydrophobicContact CE-CD1 3.64Å; M758-I786 HydrophobicContact CG-CD1 4.41Å
759D77.9Confident69Low25 Ų2569.7 Ų69.713%0.13435%0.347CS..  trans-7895-177.2-171.2-28000110.8P751 D753 E757 E761 K762 L763P751-D759 HydrophobicContact CB-CB 4.24Å; P751-D759 PolarHBondContact O-N 2.87Å; D753-D759 HydrophobicContact CB-CB 4.37Å; E757-D759 PolarHBondContact O-N 2.86Å; D759-E761 VanDerWaalsContact C-N 3.29Å; D759-E761 PolarHBondContact O-N 2.67Å; D759-E761 PolarHBondContact OD1-N 3.18Å; D759-E761 VanDerWaalsContact OD1-N 3.16Å; D759-K762 HydrophobicContact CB-CB 4.08Å; D759-K762 HydrophobicContact CB-CD 4.15Å; D759-K762 HydrophobicContact CB-CG 4.28Å; D759-K762 PolarHBondContact O-N 3.15Å; D759-K762 PolarHBondContact OD1-N 3.46Å; D759-K762 WeakPolarHBondContact OD2-CD 3.43Å; D759-K762 WeakPolarHBondContact OD2-CE 3.29Å; D759-K762 VanDerWaalsContact OD2-CG 3.23Å; D759-K762 WeakPolarHBondContact OD2-CG 3.35Å; D759-K762 IonicContact OD2-NZ 2.94Å; D759-K762 PolarHBondContact OD2-NZ 3.39Å; D759-L763 WeakPolarHBondContact O-CG 3.04Å; D759-L763 PolarHBondContact O-N 3.42Å; D759-L763 VanDerWaalsContact O-N 3.11Å
760C79.3Confident70.4Confident12 Ų1263.2 Ų63.28%0.08132%0.319CS..Hα-helixtrans-65.3-30.9-177.8-63.40000112.4M758 L763 V764 L783 K787 W791M758-C760 PolarHBondContact O-N 2.86Å; C760-L763 PolarHBondContact O-N 3.43Å; C760-V764 WeakPolarHBondContact O-CG2 3.41Å; C760-V764 PolarHBondContact O-N 3.42Å; C760-L783 HydrophobicContact CB-CD2 4.05Å; C760-K787 WeakPolarHBondContact SG-CE 3.49Å; C760-W791 HydrophobicContact CB-CH2 4.07Å
761E77.4Confident71.3Confident165 Ų16563.6 Ų63.677%0.77133%0.327SS*.Hα-helixtrans-71.6-39.4178-66.1-159.8166.400111.5D759 L763 V764 G765D759-E761 VanDerWaalsContact C-N 3.29Å; D759-E761 PolarHBondContact O-N 2.67Å; D759-E761 PolarHBondContact OD1-N 3.18Å; D759-E761 VanDerWaalsContact OD1-N 3.16Å; E761-L763 VanDerWaalsContact C-N 3.32Å; E761-L763 PolarHBondContact O-N 3.08Å; E761-V764 PolarHBondContact O-N 3.16Å; E761-G765 PolarHBondContact O-N 3.1Å
762K78.4Confident72.3Confident105 Ų10565.3 Ų65.346%0.45733%0.334SS..Hα-helixtrans-65-34.6171.4-75.4-177.7-171.2119.40112.5P751 R752 D759 G765 K766P751-K762 HydrophobicContact CB-CB 3.76Å; P751-K762 HydrophobicContact CB-CD 3.85Å; P751-K762 HydrophobicContact CB-CG 4.47Å; P751-K762 HydrophobicContact CG-CB 4.31Å; R752-K762 PolarHBondContact O-NZ 3.11Å; D759-K762 HydrophobicContact CB-CB 4.08Å; D759-K762 HydrophobicContact CB-CD 4.15Å; D759-K762 HydrophobicContact CB-CG 4.28Å; D759-K762 PolarHBondContact O-N 3.15Å; D759-K762 PolarHBondContact OD1-N 3.46Å; D759-K762 WeakPolarHBondContact OD2-CD 3.43Å; D759-K762 WeakPolarHBondContact OD2-CE 3.29Å; D759-K762 VanDerWaalsContact OD2-CG 3.23Å; D759-K762 WeakPolarHBondContact OD2-CG 3.35Å; D759-K762 IonicContact OD2-NZ 2.94Å; D759-K762 PolarHBondContact OD2-NZ 3.39Å; K762-G765 PolarHBondContact O-N 3.38Å; K762-K766 PolarHBondContact O-N 3.04Å
763L80.1Confident73.2Confident0 Ų061.8 Ų61.80%032%0.322CS..Hα-helixtrans-67-43.3174.3-73.5172.4000112.1P751 M758 D759 C760 E761 G765 K766 L767 I779 I782 L783P751-L763 HydrophobicContact CG-CD2 4.37Å; M758-L763 HydrophobicContact CE-CD1 4.17Å; D759-L763 WeakPolarHBondContact O-CG 3.04Å; D759-L763 PolarHBondContact O-N 3.42Å; D759-L763 VanDerWaalsContact O-N 3.11Å; C760-L763 PolarHBondContact O-N 3.43Å; E761-L763 VanDerWaalsContact C-N 3.32Å; E761-L763 PolarHBondContact O-N 3.08Å; L763-G765 VanDerWaalsContact C-N 3.25Å; L763-G765 PolarHBondContact O-N 3.11Å; L763-K766 PolarHBondContact O-N 2.99Å; L763-L767 PolarHBondContact O-N 3.39Å; L763-I779 HydrophobicContact CB-CG2 4.31Å; L763-I782 HydrophobicContact CD1-CG2 3.66Å; L763-L783 HydrophobicContact CB-CD2 4.3Å; L763-L783 HydrophobicContact CD1-CD2 4.4Å
764V82.4Confident73.7Confident10 Ų1063.2 Ų63.26%0.06133%0.327CS..Hα-helixtrans-61.1-37.8170.8176.40000110.6C760 E761 L767 K768 L783 W791 L795C760-V764 WeakPolarHBondContact O-CG2 3.41Å; C760-V764 PolarHBondContact O-N 3.42Å; E761-V764 PolarHBondContact O-N 3.16Å; V764-L767 WeakPolarHBondContact O-CB 3.31Å; V764-L767 PolarHBondContact O-N 3.43Å; V764-K768 PolarHBondContact O-N 3.41Å; V764-L783 HydrophobicContact CG2-CD1 4.11Å; V764-W791 HydrophobicContact CG2-CH2 3.8Å; V764-W791 HydrophobicContact CG2-CZ3 3.8Å; V764-L795 HydrophobicContact CG1-CD1 3.56Å
765G78.9Confident74.8Confident27 Ų2755.7 Ų55.728%0.27829%0.287SS..Hα-helixtrans-57.3-50.3171.100000112.6E761 K762 L763 L767 K768E761-G765 PolarHBondContact O-N 3.1Å; K762-G765 PolarHBondContact O-N 3.38Å; L763-G765 VanDerWaalsContact C-N 3.25Å; L763-G765 PolarHBondContact O-N 3.11Å; G765-L767 VanDerWaalsContact C-N 3.28Å; G765-L767 PolarHBondContact O-N 3.2Å; G765-K768 WeakPolarHBondContact O-CB 3.29Å; G765-K768 PolarHBondContact O-N 3.14Å
766K79.6Confident76.4Confident83 Ų8347.6 Ų47.636%0.36125%0.25SC..Hα-helixtrans-61.2-34.6176-74.1-172.7174.9-169.20113P751 K762 L763 K768 D769 C770 I779P751-K766 HydrophobicContact CG-CD 4.39Å; K762-K766 PolarHBondContact O-N 3.04Å; L763-K766 PolarHBondContact O-N 2.99Å; K766-K768 PolarHBondContact O-N 3.45Å; K766-D769 PolarHBondContact O-N 3.21Å; K766-C770 WeakPolarHBondContact O-CB 3.47Å; K766-C770 PolarHBondContact O-N 3.05Å; K766-I779 HydrophobicContact CB-CD1 4.2Å
767L82.1Confident77.7Confident0 Ų046.2 Ų46.20%024%0.235CC..Hα-helixtrans-62.4-28.6178.2-168.965.3000112.5L677 L763 V764 G765 D769 Q776 I779 L780 L806L677-L767 HydrophobicContact CD2-CD1 3.91Å; L677-L767 HydrophobicContact CD2-CD2 3.82Å; L677-L767 HydrophobicContact CD2-CG 3.74Å; L763-L767 PolarHBondContact O-N 3.39Å; V764-L767 WeakPolarHBondContact O-CB 3.31Å; V764-L767 PolarHBondContact O-N 3.43Å; G765-L767 VanDerWaalsContact C-N 3.28Å; G765-L767 PolarHBondContact O-N 3.2Å; L767-D769 VanDerWaalsContact C-N 3.32Å; L767-D769 PolarHBondContact O-N 3.46Å; L767-Q776 HydrophobicContact CD1-CB 4.17Å; L767-Q776 HydrophobicContact CD1-CG 4.03Å; L767-I779 HydrophobicContact CB-CG2 4.28Å; L767-I779 HydrophobicContact CD1-CB 4.35Å; L767-I779 HydrophobicContact CD1-CG2 4.2Å; L767-L780 HydrophobicContact CD1-CG 4.36Å; L767-L780 HydrophobicContact CD2-CD2 3.78Å; L767-L780 HydrophobicContact CD2-CG 4.35Å; L767-L806 HydrophobicContact CD2-CD1 3.95Å
768K78.9Confident78.6Confident78 Ų7844.7 Ų44.734%0.33923%0.23SC..Hα-helixtrans-65-35.2178.4-64.9175-178176.10113P678 V764 G765 K766 L795 F796P678-K768 WeakPolarHBondContact CG-O 3.46Å; V764-K768 PolarHBondContact O-N 3.41Å; G765-K768 WeakPolarHBondContact O-CB 3.29Å; G765-K768 PolarHBondContact O-N 3.14Å; K766-K768 PolarHBondContact O-N 3.45Å; K768-L795 HydrophobicContact CG-CD1 3.79Å; K768-F796 HydrophobicContact CB-CE1 4.34Å; K768-F796 HydrophobicContact CB-CZ 4.13Å; K768-F796 HydrophobicContact CD-CE1 4.25Å; K768-F796 HydrophobicContact CG-CE1 4.1Å; K768-F796 HydrophobicContact CG-CZ 3.98Å
769D76.1Confident79.3Confident145 Ų14543.9 Ų43.978%0.77523%0.226SC*.Hα-helixtrans-104.7-0.4-173.4-58.6-36.9000112.6K766 L767 S771K766-D769 PolarHBondContact O-N 3.21Å; L767-D769 VanDerWaalsContact C-N 3.32Å; L767-D769 PolarHBondContact O-N 3.46Å; D769-S771 PolarHBondContact O-N 2.77Å
770C78.5Confident79.6Confident13 Ų1342.7 Ų42.79%0.08822%0.219CC..  trans-82.4114.1-175.2-170.20000111.5P678 K766 D775 Q776P678-C770 VanDerWaalsContact CG-O 3.29Å; P678-C770 WeakPolarHBondContact CG-O 3.41Å; K766-C770 WeakPolarHBondContact O-CB 3.47Å; K766-C770 PolarHBondContact O-N 3.05Å; C770-D775 WeakPolarHBondContact SG-CB 3.39Å; C770-Q776 HydrophobicContact CB-CG 4.14Å; C770-Q776 PolarHBondContact O-NE2 3.48Å
771S75.7Confident79.7Confident43 Ų4344.8 Ų44.830%0.30123%0.226SC..  trans-94.6-11.5-179.358.40000114.5L680 D769L680-S771 WeakPolarHBondContact CD2-O 3.48Å; D769-S771 PolarHBondContact O-N 2.77Å
772N80.4Confident79.9Confident53 Ų5337 Ų3728%0.28319%0.189SC..  trans-93.6133-178.9-175.2-63.5000111.4Q774 D775 Q776N772-Q774 WeakPolarHBondContact OD1-CA 3.49Å; N772-Q774 VanDerWaalsContact OD1-CB 3.27Å; N772-Q774 WeakPolarHBondContact OD1-CB 3.2Å; N772-Q774 PolarHBondContact OD1-N 2.86Å; N772-D775 HydrophobicContact CB-CB 4.06Å; N772-D775 WeakPolarHBondContact CB-OD2 3.48Å; N772-D775 PolarHBondContact OD1-N 2.86Å; N772-Q776 VanDerWaalsContact O-CG 3.29Å; N772-Q776 WeakPolarHBondContact O-CG 3.47Å; N772-Q776 PolarHBondContact O-N 3.3Å
773L79.9Confident80.1Confident15 Ų1532 Ų328%0.07917%0.168CC..Hα-helixtrans-67.3-36.3-177.8-68.2175000113.6L680 Q776 A777 L810 K813 N817 E819 L822L680-L773 HydrophobicContact CD1-CD1 4.32Å; L680-L773 HydrophobicContact CD1-CG 4.48Å; L680-L773 HydrophobicContact CD2-CD1 4.44Å; L680-L773 HydrophobicContact CD2-CD2 3.8Å; L680-L773 HydrophobicContact CD2-CG 3.75Å; L773-Q776 PolarHBondContact O-N 3.39Å; L773-A777 WeakPolarHBondContact O-CB 3.22Å; L773-A777 PolarHBondContact O-N 3.46Å; L773-L810 HydrophobicContact CB-CD1 4.49Å; L773-L810 HydrophobicContact CD2-CD1 3.57Å; L773-K813 HydrophobicContact CD2-CB 3.8Å; L773-K813 HydrophobicContact CD2-CD 4.45Å; L773-N817 HydrophobicContact CD1-CB 4.22Å; L773-E819 HydrophobicContact CD1-CG 4.41Å; L773-L822 HydrophobicContact CB-CD2 3.69Å
774Q75.5Confident80.3Confident84 Ų8434.9 Ų34.939%0.39318%0.179SC..Hα-helixtrans-67.3-45178.4-172.161.745.200110.3N772 Q776 A777 D778N772-Q774 WeakPolarHBondContact OD1-CA 3.49Å; N772-Q774 VanDerWaalsContact OD1-CB 3.27Å; N772-Q774 WeakPolarHBondContact OD1-CB 3.2Å; N772-Q774 PolarHBondContact OD1-N 2.86Å; Q774-Q776 VanDerWaalsContact C-N 3.34Å; Q774-Q776 PolarHBondContact O-N 2.98Å; Q774-A777 WeakPolarHBondContact O-CB 3.3Å; Q774-A777 PolarHBondContact O-N 3.44Å; Q774-A777 VanDerWaalsContact O-N 3.11Å; Q774-D778 PolarHBondContact NE2-OD1 3.43Å; Q774-D778 PolarHBondContact O-N 3.39Å
775D77.9Confident80.2Confident8 Ų837 Ų374%0.04319%0.192CC..Hα-helixtrans-64.5-39.4177.4-63.4-12000111.4F690 C770 N772 A777 D778 I779F690-D775 HydrophobicContact CD2-CB 3.85Å; F690-D775 WeakPolarHBondContact CD2-OD1 3.26Å; F690-D775 HydrophobicContact CE2-CB 4.02Å; C770-D775 WeakPolarHBondContact SG-CB 3.39Å; N772-D775 HydrophobicContact CB-CB 4.06Å; N772-D775 WeakPolarHBondContact CB-OD2 3.48Å; N772-D775 PolarHBondContact OD1-N 2.86Å; D775-A777 VanDerWaalsContact C-N 3.34Å; D775-D778 PolarHBondContact O-N 2.82Å; D775-I779 VanDerWaalsContact O-CG1 3.29Å; D775-I779 WeakPolarHBondContact O-CG1 3.27Å; D775-I779 PolarHBondContact O-N 3.38Å
776Q83.5Confident80.2Confident0 Ų038.9 Ų38.90%020%0.195CC..Hα-helixtrans-60.5-42.9171.4-73.8176.28.100111.4L767 C770 N772 L773 Q774 L780 L810L767-Q776 HydrophobicContact CD1-CB 4.17Å; L767-Q776 HydrophobicContact CD1-CG 4.03Å; C770-Q776 HydrophobicContact CB-CG 4.14Å; C770-Q776 PolarHBondContact O-NE2 3.48Å; N772-Q776 VanDerWaalsContact O-CG 3.29Å; N772-Q776 WeakPolarHBondContact O-CG 3.47Å; N772-Q776 PolarHBondContact O-N 3.3Å; L773-Q776 PolarHBondContact O-N 3.39Å; Q774-Q776 VanDerWaalsContact C-N 3.34Å; Q774-Q776 PolarHBondContact O-N 2.98Å; Q776-L780 WeakPolarHBondContact O-CB 3.43Å; Q776-L780 VanDerWaalsContact O-CG 3.29Å; Q776-L780 WeakPolarHBondContact O-CG 3.22Å; Q776-L780 PolarHBondContact O-N 3.21Å; Q776-L810 HydrophobicContact CB-CD1 3.91Å; Q776-L810 HydrophobicContact CB-CD2 4.3Å; Q776-L810 VanDerWaalsContact OE1-CD1 3.22Å
777A82.8Confident80.5Confident0 Ų039.9 Ų39.90%020%0.199CC..Hα-helixtrans-63.7-43.8177.900000112.1L773 Q774 D775 L780 Y781 L810 L822L773-A777 WeakPolarHBondContact O-CB 3.22Å; L773-A777 PolarHBondContact O-N 3.46Å; Q774-A777 WeakPolarHBondContact O-CB 3.3Å; Q774-A777 PolarHBondContact O-N 3.44Å; Q774-A777 VanDerWaalsContact O-N 3.11Å; D775-A777 VanDerWaalsContact C-N 3.34Å; A777-L780 PolarHBondContact O-N 3.29Å; A777-Y781 VanDerWaalsContact O-CB 3.32Å; A777-Y781 WeakPolarHBondContact O-CB 3.38Å; A777-Y781 PolarHBondContact O-N 3.03Å; A777-L810 HydrophobicContact CB-CD2 3.74Å; A777-L822 HydrophobicContact CB-CD1 3.51Å
778D78.1Confident80.6Confident53 Ų5340.7 Ų40.728%0.28321%0.208SC..Hα-helixtrans-65-42.8-179.4-69.6-13.9000111.3Q774 D775 Y781 I782Q774-D778 PolarHBondContact NE2-OD1 3.43Å; Q774-D778 PolarHBondContact O-N 3.39Å; D775-D778 PolarHBondContact O-N 2.82Å; D778-Y781 PolarHBondContact O-N 3.43Å; D778-I782 WeakPolarHBondContact O-CG1 3.46Å; D778-I782 PolarHBondContact O-N 2.83Å; D778-I782 VanDerWaalsContact O-N 3.08Å
779I82Confident81Confident2 Ų239.4 Ų39.41%0.0121%0.208CC..Hα-helixtrans-62.7-47.7174.9-67.1167.3000110.6L763 K766 L767 D775 Y781 I782 L783L763-I779 HydrophobicContact CB-CG2 4.31Å; K766-I779 HydrophobicContact CB-CD1 4.2Å; L767-I779 HydrophobicContact CB-CG2 4.28Å; L767-I779 HydrophobicContact CD1-CB 4.35Å; L767-I779 HydrophobicContact CD1-CG2 4.2Å; D775-I779 VanDerWaalsContact O-CG1 3.29Å; D775-I779 WeakPolarHBondContact O-CG1 3.27Å; D775-I779 PolarHBondContact O-N 3.38Å; I779-Y781 VanDerWaalsContact C-N 3.33Å; I779-Y781 PolarHBondContact O-N 2.94Å; I779-I782 WeakPolarHBondContact O-CB 3.16Å; I779-I782 PolarHBondContact O-N 3.35Å; I779-L783 HydrophobicContact CG2-CD1 4.16Å; I779-L783 WeakPolarHBondContact O-CG 3.37Å; I779-L783 PolarHBondContact O-N 3.04Å
780L84.8Confident81.6Confident0 Ų036.2 Ų36.20%020%0.196CC..Hα-helixtrans-66.4-34.5-179.8-72.9175.5000112.4L677 L767 Q776 A777 L783 Y784 L806 L807 L810L677-L780 HydrophobicContact CD1-CD1 4.47Å; L767-L780 HydrophobicContact CD1-CG 4.36Å; L767-L780 HydrophobicContact CD2-CD2 3.78Å; L767-L780 HydrophobicContact CD2-CG 4.35Å; Q776-L780 WeakPolarHBondContact O-CB 3.43Å; Q776-L780 VanDerWaalsContact O-CG 3.29Å; Q776-L780 WeakPolarHBondContact O-CG 3.22Å; Q776-L780 PolarHBondContact O-N 3.21Å; A777-L780 PolarHBondContact O-N 3.29Å; L780-L783 HydrophobicContact CD2-CD1 4.43Å; L780-L783 PolarHBondContact O-N 2.73Å; L780-Y784 VanDerWaalsContact O-CB 3.26Å; L780-Y784 WeakPolarHBondContact O-CB 3.3Å; L780-Y784 PolarHBondContact O-N 3.47Å; L780-L806 HydrophobicContact CD1-CB 4Å; L780-L806 HydrophobicContact CD2-CB 3.71Å; L780-L806 HydrophobicContact CD2-CD1 3.87Å; L780-L806 HydrophobicContact CD2-CG 4.46Å; L780-L807 HydrophobicContact CB-CD2 3.71Å; L780-L807 HydrophobicContact CB-CG 4.21Å; L780-L807 HydrophobicContact CD1-CD2 4.02Å; L780-L807 HydrophobicContact CD1-CG 4.3Å; L780-L807 HydrophobicContact CG-CD2 4.5Å; L780-L810 HydrophobicContact CD1-CB 4.33Å; L780-L810 HydrophobicContact CD1-CD2 3.95Å
781Y81.6Confident82.1Confident56 Ų5638.8 Ų38.822%0.2220%0.204CC..Hα-helixtrans-61.7-46.4173.1171.1-109.5000111.6A777 D778 I779 L783 Y784 V785 Y825 L829A777-Y781 VanDerWaalsContact O-CB 3.32Å; A777-Y781 WeakPolarHBondContact O-CB 3.38Å; A777-Y781 PolarHBondContact O-N 3.03Å; D778-Y781 PolarHBondContact O-N 3.43Å; I779-Y781 VanDerWaalsContact C-N 3.33Å; I779-Y781 PolarHBondContact O-N 2.94Å; Y781-L783 VanDerWaalsContact C-N 3.33Å; Y781-L783 PolarHBondContact O-N 3.48Å; Y781-Y784 WeakPolarHBondContact O-CB 3.31Å; Y781-Y784 PolarHBondContact O-N 3.09Å; Y781-V785 HydrophobicContact CD2-CG2 4.05Å; Y781-V785 HydrophobicContact CE1-CG2 4.2Å; Y781-V785 HydrophobicContact CE2-CG2 3.58Å; Y781-V785 WeakPolarHBondContact O-CG2 3.44Å; Y781-V785 PolarHBondContact O-N 3.43Å; Y781-Y825 WeakPolarHBondContact CD2-OH 3.46Å; Y781-L829 HydrophobicContact CD2-CD1 4.25Å; Y781-L829 HydrophobicContact CD2-CD2 3.72Å; Y781-L829 HydrophobicContact CE2-CD2 4.1Å
782I79.8Confident82.7Confident1 Ų138.7 Ų38.71%0.00520%0.201CC..Hα-helixtrans-57.7-48.6175.9-73.4166.8000110.6I699 W750 M758 L763 D778 I779 Y784 V785 I786I699-I782 HydrophobicContact CD1-CD1 4.14Å; I699-I782 HydrophobicContact CG2-CG1 4.34Å; W750-I782 HydrophobicContact CE3-CD1 4.37Å; W750-I782 HydrophobicContact CH2-CD1 4.3Å; W750-I782 HydrophobicContact CZ3-CD1 4.02Å; M758-I782 HydrophobicContact CE-CB 4.33Å; M758-I782 HydrophobicContact CE-CD1 4.27Å; M758-I782 HydrophobicContact CE-CG1 4.34Å; M758-I782 HydrophobicContact CE-CG2 3.11Å; L763-I782 HydrophobicContact CD1-CG2 3.66Å; D778-I782 WeakPolarHBondContact O-CG1 3.46Å; D778-I782 PolarHBondContact O-N 2.83Å; D778-I782 VanDerWaalsContact O-N 3.08Å; I779-I782 WeakPolarHBondContact O-CB 3.16Å; I779-I782 PolarHBondContact O-N 3.35Å; I782-Y784 VanDerWaalsContact C-N 3.33Å; I782-Y784 PolarHBondContact O-N 2.84Å; I782-V785 PolarHBondContact O-N 2.89Å; I782-I786 HydrophobicContact CG2-CD1 3.74Å; I782-I786 WeakPolarHBondContact O-CG1 3.38Å; I782-I786 PolarHBondContact O-N 3.4Å
783L83.3Confident82.9Confident0 Ų036.6 Ų36.60%019%0.189CC..Hα-helixtrans-62.2-41.5178.8-67.9174.9000111.5C760 L763 V764 I779 L780 Y781 V785 I786 K787 W791 V803C760-L783 HydrophobicContact CB-CD2 4.05Å; L763-L783 HydrophobicContact CB-CD2 4.3Å; L763-L783 HydrophobicContact CD1-CD2 4.4Å; V764-L783 HydrophobicContact CG2-CD1 4.11Å; I779-L783 HydrophobicContact CG2-CD1 4.16Å; I779-L783 WeakPolarHBondContact O-CG 3.37Å; I779-L783 PolarHBondContact O-N 3.04Å; L780-L783 HydrophobicContact CD2-CD1 4.43Å; L780-L783 PolarHBondContact O-N 2.73Å; Y781-L783 VanDerWaalsContact C-N 3.33Å; Y781-L783 PolarHBondContact O-N 3.48Å; L783-V785 PolarHBondContact O-N 3.45Å; L783-I786 PolarHBondContact O-N 2.91Å; L783-K787 WeakPolarHBondContact O-CB 3.47Å; L783-K787 PolarHBondContact O-N 3.4Å; L783-W791 HydrophobicContact CD1-CZ3 4.38Å; L783-W791 HydrophobicContact CD2-CZ3 3.83Å; L783-V803 HydrophobicContact CB-CG2 4.05Å
784Y84.6Confident83Confident61 Ų6139.2 Ų39.224%0.23920%0.204CC..Hα-helixtrans-58.8-45.9175.5176.6-85.5000111.9L780 Y781 I782 G788 P789 L807 L829L780-Y784 VanDerWaalsContact O-CB 3.26Å; L780-Y784 WeakPolarHBondContact O-CB 3.3Å; L780-Y784 PolarHBondContact O-N 3.47Å; Y781-Y784 WeakPolarHBondContact O-CB 3.31Å; Y781-Y784 PolarHBondContact O-N 3.09Å; I782-Y784 VanDerWaalsContact C-N 3.33Å; I782-Y784 PolarHBondContact O-N 2.84Å; Y784-G788 WeakPolarHBondContact O-CA 3.23Å; Y784-G788 PolarHBondContact O-N 3.01Å; Y784-P789 HydrophobicContact CD2-CB 3.96Å; Y784-P789 HydrophobicContact CE2-CB 3.76Å; Y784-P789 HydrophobicContact CE2-CG 4Å; Y784-L807 HydrophobicContact CD2-CD1 4.03Å; Y784-L829 HydrophobicContact CD1-CD2 4.37Å; Y784-L829 HydrophobicContact CE1-CD2 4.45Å
785V79.6Confident83.3Confident55 Ų5535.2 Ų35.233%0.33319%0.185SC..Hα-helixtrans-71-35.6-178.3174.10000112.4M703 Y781 I782 L783M703-V785 HydrophobicContact CE-CB 4.01Å; M703-V785 HydrophobicContact CE-CG1 3.54Å; M703-V785 HydrophobicContact SD-CG1 3.92Å; Y781-V785 HydrophobicContact CD2-CG2 4.05Å; Y781-V785 HydrophobicContact CE1-CG2 4.2Å; Y781-V785 HydrophobicContact CE2-CG2 3.58Å; Y781-V785 WeakPolarHBondContact O-CG2 3.44Å; Y781-V785 PolarHBondContact O-N 3.43Å; I782-V785 PolarHBondContact O-N 2.89Å; L783-V785 PolarHBondContact O-N 3.45Å
786I80.6Confident83Confident67 Ų6740.1 Ų40.134%0.34421%0.206SC..Hα-helixtrans-83.8-47.5-176.5-63.7173.9000111.8M703 M758 I782 L783M703-I786 HydrophobicContact CE-CD1 3.94Å; M703-I786 HydrophobicContact CE-CG1 3.5Å; M703-I786 VanDerWaalsContact CE-CG1 3.5Å; M758-I786 HydrophobicContact CB-CD1 3.92Å; M758-I786 HydrophobicContact CE-CD1 3.64Å; M758-I786 HydrophobicContact CG-CD1 4.41Å; I782-I786 HydrophobicContact CG2-CD1 3.74Å; I782-I786 WeakPolarHBondContact O-CG1 3.38Å; I782-I786 PolarHBondContact O-N 3.4Å; L783-I786 PolarHBondContact O-N 2.91Å
787K85.4Confident82.3Confident103 Ų10343 Ų4345%0.44824%0.236SC..Hα-helixtrans-108.2-16.8-169.7-62.2-67-175178.10113.7C760 L783 W791C760-K787 WeakPolarHBondContact SG-CE 3.49Å; L783-K787 WeakPolarHBondContact O-CB 3.47Å; L783-K787 PolarHBondContact O-N 3.4Å; K787-W791 HydrophobicContact CB-CB 3.61Å; K787-W791 HydrophobicContact CB-CD2 3.64Å; K787-W791 HydrophobicContact CB-CE3 3.97Å; K787-W791 HydrophobicContact CB-CG 3.47Å; K787-W791 VanDerWaalsContact CB-CG 3.47Å; K787-W791 HydrophobicContact CD-CD2 4.37Å; K787-W791 HydrophobicContact CD-CG 4.46Å; K787-W791 HydrophobicContact CG-CD2 3.75Å; K787-W791 HydrophobicContact CG-CE3 4.02Å; K787-W791 HydrophobicContact CG-CG 4.04Å; K787-W791 HydrophobicContact CG-CZ2 4.49Å; K787-W791 HydrophobicContact CG-CZ3 4.5Å
788G84.5Confident81.8Confident18 Ų1847.9 Ų47.919%0.18626%0.259CS..  trans87.4167.3-176.200000113.6Y784 S790 W791Y784-G788 WeakPolarHBondContact O-CA 3.23Å; Y784-G788 PolarHBondContact O-N 3.01Å; G788-S790 PolarHBondContact O-N 3.37Å; G788-W791 PolarHBondContact O-N 3.11Å
789P86.2Confident81.5Confident51 Ų5153.1 Ų53.133%0.33128%0.281SS..THydrogen-bonded Turntrans-69.5-29.2-175.724-32.6000114.7Y784 W791 V803 H804Y784-P789 HydrophobicContact CD2-CB 3.96Å; Y784-P789 HydrophobicContact CE2-CB 3.76Å; Y784-P789 HydrophobicContact CE2-CG 4Å; P789-W791 VanDerWaalsContact C-N 3.31Å; P789-V803 PolarHBondContact O-N 3.35Å; P789-H804 HydrophobicContact CB-CB 4.21Å; P789-H804 WeakPolarHBondContact O-CB 3.49Å; P789-H804 PolarHBondContact O-N 3.18Å
790S88.6Confident81.4Confident77 Ų7755.3 Ų55.354%0.53830%0.304SS..THydrogen-bonded Turntrans-84.1-3-178.250.10000113.5G788 D792G788-S790 PolarHBondContact O-N 3.37Å; S790-D792 PolarHBondContact O-N 2.95Å
791W90.3Very high81.4Confident67 Ų6755.3 Ų55.325%0.25430%0.304SS..  trans-65.9125.6-179.8-175.763.7000111.6C760 V764 L783 K787 G788 P789 T793 T802 V803C760-W791 HydrophobicContact CB-CH2 4.07Å; V764-W791 HydrophobicContact CG2-CH2 3.8Å; V764-W791 HydrophobicContact CG2-CZ3 3.8Å; L783-W791 HydrophobicContact CD1-CZ3 4.38Å; L783-W791 HydrophobicContact CD2-CZ3 3.83Å; K787-W791 HydrophobicContact CB-CB 3.61Å; K787-W791 HydrophobicContact CB-CD2 3.64Å; K787-W791 HydrophobicContact CB-CE3 3.97Å; K787-W791 HydrophobicContact CB-CG 3.47Å; K787-W791 VanDerWaalsContact CB-CG 3.47Å; K787-W791 HydrophobicContact CD-CD2 4.37Å; K787-W791 HydrophobicContact CD-CG 4.46Å; K787-W791 HydrophobicContact CG-CD2 3.75Å; K787-W791 HydrophobicContact CG-CE3 4.02Å; K787-W791 HydrophobicContact CG-CG 4.04Å; K787-W791 HydrophobicContact CG-CZ2 4.49Å; K787-W791 HydrophobicContact CG-CZ3 4.5Å; G788-W791 PolarHBondContact O-N 3.11Å; P789-W791 VanDerWaalsContact C-N 3.31Å; W791-T793 HydrophobicContact CE3-CG2 3.93Å; W791-T793 HydrophobicContact CZ3-CG2 3.87Å; W791-T802 CarbonylContact O-C 3.46Å; W791-T802 VanDerWaalsContact O-CA 3.23Å; W791-T802 WeakPolarHBondContact O-CA 3.38Å; W791-V803 HydrophobicContact CB-CG2 4.31Å; W791-V803 HydrophobicContact CE3-CG2 3.87Å; W791-V803 PolarHBondContact O-N 2.92Å
792D87.4Confident81.8Confident42 Ų4254.4 Ų54.423%0.22531%0.305CS..BIsolated β-bridgetrans-77.5119.5176.1-168-6.5000110.5S790 N794 G800 V801S790-D792 PolarHBondContact O-N 2.95Å; D792-N794 VanDerWaalsContact C-N 3.33Å; D792-N794 PolarHBondContact OD1-N 3.37Å; D792-G800 PolarHBondContact OD2-N 3.26Å; D792-V801 PolarHBondContact OD1-N 3.39Å; D792-V801 VanDerWaalsContact OD1-N 3.13Å
793T84.9Confident82.2Confident8 Ų854.3 Ų54.35%0.04930%0.304CS..  trans-81.5-15.1-178.2630000112.8W791 L795 V801 V803 L806W791-T793 HydrophobicContact CE3-CG2 3.93Å; W791-T793 HydrophobicContact CZ3-CG2 3.87Å; T793-L795 PolarHBondContact O-N 3.16Å; T793-L795 VanDerWaalsContact O-N 3.11Å; T793-L795 PolarHBondContact OG1-N 3.41Å; T793-V801 WeakPolarHBondContact CB-O 3.38Å; T793-V801 PolarHBondContact N-O 3.5Å; T793-V801 PolarHBondContact OG1-O 3.42Å; T793-V803 HydrophobicContact CG2-CG2 3.94Å; T793-L806 HydrophobicContact CG2-CD1 3.68Å
794N82.4Confident82.4Confident70 Ų7058.6 Ų58.637%0.37432%0.324SS..  trans49.133.6-171.9-69.1-66000113.1D792 F796 G797 Q798 H799D792-N794 VanDerWaalsContact C-N 3.33Å; D792-N794 PolarHBondContact OD1-N 3.37Å; N794-F796 PolarHBondContact O-N 3.05Å; N794-G797 PolarHBondContact O-N 3.25Å; N794-Q798 WeakPolarHBondContact CA-O 3.34Å; N794-H799 PolarHBondContact OD1-CE1 3.41Å; N794-H799 PolarHBondContact OD1-ND1 2.94Å
795L80.1Confident82.5Confident0 Ų057 Ų570%032%0.322CS..G310 helixtrans-58.6128.4-177.2-161.573.9000109.2V764 K768 T793 G797 Q798 V801 L806V764-L795 HydrophobicContact CG1-CD1 3.56Å; K768-L795 HydrophobicContact CG-CD1 3.79Å; T793-L795 PolarHBondContact O-N 3.16Å; T793-L795 VanDerWaalsContact O-N 3.11Å; T793-L795 PolarHBondContact OG1-N 3.41Å; L795-G797 PolarHBondContact O-N 3.44Å; L795-G797 VanDerWaalsContact O-N 3.17Å; L795-Q798 PolarHBondContact O-N 3.29Å; L795-V801 HydrophobicContact CB-CG1 4.13Å; L795-L806 HydrophobicContact CD2-CD2 3.86Å
796F73.1Confident83Confident112 Ų11254.4 Ų54.449%0.49131%0.306SS..G310 helixtrans56.322.6-173-56.4-74.9000115.8Y676 K768 N794 Q798Y676-F796 VanDerWaalsContact O-CE2 3.3Å; Y676-F796 WeakPolarHBondContact O-CE2 3.48Å; K768-F796 HydrophobicContact CB-CE1 4.34Å; K768-F796 HydrophobicContact CB-CZ 4.13Å; K768-F796 HydrophobicContact CD-CE1 4.25Å; K768-F796 HydrophobicContact CG-CE1 4.1Å; K768-F796 HydrophobicContact CG-CZ 3.98Å; N794-F796 PolarHBondContact O-N 3.05Å; F796-Q798 VanDerWaalsContact C-N 3.27Å; F796-Q798 PolarHBondContact O-N 3.46Å
797G68.5Low83.4Confident61 Ų6151.2 Ų51.263%0.62929%0.29SS*.G310 helixtrans76.112.7-179.900000114.1N794 L795N794-G797 PolarHBondContact O-N 3.25Å; L795-G797 PolarHBondContact O-N 3.44Å; L795-G797 VanDerWaalsContact O-N 3.17Å
798Q72.5Confident83.5Confident102 Ų10247.9 Ų47.948%0.47728%0.279SS..  trans-90.9125.2175.3-62.9-177.5-1.600110.1N794 L795 F796 V801N794-Q798 WeakPolarHBondContact CA-O 3.34Å; L795-Q798 PolarHBondContact O-N 3.29Å; F796-Q798 VanDerWaalsContact C-N 3.27Å; F796-Q798 PolarHBondContact O-N 3.46Å; Q798-V801 HydrophobicContact CB-CG2 3.91Å
799H72Confident83.6Confident162 Ų16247.3 Ų47.375%0.7527%0.272SS*.THydrogen-bonded Turntrans-79146174-65.77.6000110.6N794N794-H799 PolarHBondContact OD1-CE1 3.41Å; N794-H799 PolarHBondContact OD1-ND1 2.94Å
800G79.1Confident83.7Confident48 Ų4844.9 Ų44.950%0.49526%0.256SS..THydrogen-bonded Turntrans89.311.9-179.100000115D792 T802D792-G800 PolarHBondContact OD2-N 3.26Å; G800-T802 PolarHBondContact O-N 3.42Å
801V86Confident83.6Confident1 Ų141.9 Ų41.91%0.00623%0.233CC..  trans-92.583.9177.3-174.10000109.2Y676 D792 T793 L795 Q798 L806Y676-V801 HydrophobicContact CD1-CG1 4.28Å; Y676-V801 HydrophobicContact CD1-CG2 3.83Å; Y676-V801 HydrophobicContact CD2-CG1 3.99Å; Y676-V801 HydrophobicContact CE1-CG2 3.65Å; Y676-V801 HydrophobicContact CE2-CG1 4.33Å; Y676-V801 HydrophobicContact CE2-CG2 4.42Å; Y676-V801 HydrophobicContact CG-CG1 3.92Å; Y676-V801 HydrophobicContact CG-CG2 4.3Å; D792-V801 PolarHBondContact OD1-N 3.39Å; D792-V801 VanDerWaalsContact OD1-N 3.13Å; T793-V801 WeakPolarHBondContact CB-O 3.38Å; T793-V801 PolarHBondContact N-O 3.5Å; T793-V801 PolarHBondContact OG1-O 3.42Å; L795-V801 HydrophobicContact CB-CG1 4.13Å; Q798-V801 HydrophobicContact CB-CG2 3.91Å; V801-L806 HydrophobicContact CG1-CD1 4.29Å; V801-L806 HydrophobicContact CG1-CD2 3.67Å; V801-L806 HydrophobicContact CG1-CG 3.91Å
802T89.4Confident83.3Confident36 Ų3639.5 Ų39.522%0.22123%0.229CC..BIsolated β-bridgetrans-77.9157.5-176.965.20000112.8W791 G800 H804 S805 L806W791-T802 CarbonylContact O-C 3.46Å; W791-T802 VanDerWaalsContact O-CA 3.23Å; W791-T802 WeakPolarHBondContact O-CA 3.38Å; G800-T802 PolarHBondContact O-N 3.42Å; T802-H804 PolarHBondContact O-N 3.35Å; T802-S805 PolarHBondContact N-OG 3.27Å; T802-S805 VanDerWaalsContact N-OG 3.11Å; T802-S805 WeakPolarHBondContact O-CB 3.11Å; T802-S805 PolarHBondContact O-N 3.46Å; T802-S805 PolarHBondContact O-OG 3.36Å; T802-S805 PolarHBondContact OG1-N 2.85Å; T802-L806 PolarHBondContact O-N 3.47Å; T802-L806 VanDerWaalsContact O-N 3.1Å
803V87.6Confident83.2Confident0 Ų039 Ų390%023%0.225CC..Hα-helixtrans-52.2-39.81711770000111.3L783 P789 W791 T793 S805 L806 L807L783-V803 HydrophobicContact CB-CG2 4.05Å; P789-V803 PolarHBondContact O-N 3.35Å; W791-V803 HydrophobicContact CB-CG2 4.31Å; W791-V803 HydrophobicContact CE3-CG2 3.87Å; W791-V803 PolarHBondContact O-N 2.92Å; T793-V803 HydrophobicContact CG2-CG2 3.94Å; V803-S805 PolarHBondContact O-N 3.41Å; V803-L806 PolarHBondContact O-N 3.32Å; V803-L807 HydrophobicContact CG1-CD1 4.01Å; V803-L807 HydrophobicContact CG1-CG 4.39Å; V803-L807 WeakPolarHBondContact O-CB 3.46Å; V803-L807 WeakPolarHBondContact O-CG 3.26Å; V803-L807 PolarHBondContact O-N 3.19Å
804H88.3Confident83.2Confident90 Ų9038.6 Ų38.642%0.41722%0.222SC..Hα-helixtrans-60.2-42.9174.5-178.3-83.2000112.9P789 T802 L806 L807 S808P789-H804 HydrophobicContact CB-CB 4.21Å; P789-H804 WeakPolarHBondContact O-CB 3.49Å; P789-H804 PolarHBondContact O-N 3.18Å; T802-H804 PolarHBondContact O-N 3.35Å; H804-L806 VanDerWaalsContact C-N 3.35Å; H804-L807 PolarHBondContact O-N 3.25Å; H804-S808 WeakPolarHBondContact O-CB 3.04Å; H804-S808 PolarHBondContact O-N 2.7Å; H804-S808 PolarHBondContact O-OG 2.95Å
805S87Confident83.3Confident27 Ų2735.3 Ų35.319%0.18921%0.206CC..Hα-helixtrans-64.1-39.7177.875.50000112.1T802 V803 S808 E809T802-S805 PolarHBondContact N-OG 3.27Å; T802-S805 VanDerWaalsContact N-OG 3.11Å; T802-S805 WeakPolarHBondContact O-CB 3.11Å; T802-S805 PolarHBondContact O-N 3.46Å; T802-S805 PolarHBondContact O-OG 3.36Å; T802-S805 PolarHBondContact OG1-N 2.85Å; V803-S805 PolarHBondContact O-N 3.41Å; S805-S808 WeakPolarHBondContact O-CB 3.37Å; S805-S808 PolarHBondContact O-N 3.27Å; S805-E809 PolarHBondContact O-N 2.88Å
806L88.6Confident83.3Confident0 Ų040.6 Ų40.60%023%0.233CC..Hα-helixtrans-69.9-40.7177.2-63.3173.5000112.1Y676 L677 L767 L780 T793 L795 V801 T802 V803 H804 S808 E809 L810Y676-L806 HydrophobicContact CD2-CD2 4.43Å; Y676-L806 HydrophobicContact CG-CD2 4.5Å; L677-L806 WeakPolarHBondContact CD1-O 3.41Å; L677-L806 HydrophobicContact CD2-CD2 3.97Å; L677-L806 HydrophobicContact CG-CD2 3.95Å; L767-L806 HydrophobicContact CD2-CD1 3.95Å; L780-L806 HydrophobicContact CD1-CB 4Å; L780-L806 HydrophobicContact CD2-CB 3.71Å; L780-L806 HydrophobicContact CD2-CD1 3.87Å; L780-L806 HydrophobicContact CD2-CG 4.46Å; T793-L806 HydrophobicContact CG2-CD1 3.68Å; L795-L806 HydrophobicContact CD2-CD2 3.86Å; V801-L806 HydrophobicContact CG1-CD1 4.29Å; V801-L806 HydrophobicContact CG1-CD2 3.67Å; V801-L806 HydrophobicContact CG1-CG 3.91Å; T802-L806 PolarHBondContact O-N 3.47Å; T802-L806 VanDerWaalsContact O-N 3.1Å; V803-L806 PolarHBondContact O-N 3.32Å; H804-L806 VanDerWaalsContact C-N 3.35Å; L806-S808 VanDerWaalsContact C-N 3.3Å; L806-S808 PolarHBondContact O-N 3.35Å; L806-E809 PolarHBondContact O-N 3.34Å; L806-L810 WeakPolarHBondContact O-CB 3.17Å; L806-L810 PolarHBondContact O-N 3.1Å
807L88.6Confident83.7Confident1 Ų138.4 Ų38.41%0.00523%0.226CC..Hα-helixtrans-63.1-37.1172.4-76.4170.5000111.6L780 Y784 V803 H804 L810 Y811 I826 L829 L830L780-L807 HydrophobicContact CB-CD2 3.71Å; L780-L807 HydrophobicContact CB-CG 4.21Å; L780-L807 HydrophobicContact CD1-CD2 4.02Å; L780-L807 HydrophobicContact CD1-CG 4.3Å; L780-L807 HydrophobicContact CG-CD2 4.5Å; Y784-L807 HydrophobicContact CD2-CD1 4.03Å; V803-L807 HydrophobicContact CG1-CD1 4.01Å; V803-L807 HydrophobicContact CG1-CG 4.39Å; V803-L807 WeakPolarHBondContact O-CB 3.46Å; V803-L807 WeakPolarHBondContact O-CG 3.26Å; V803-L807 PolarHBondContact O-N 3.19Å; H804-L807 PolarHBondContact O-N 3.25Å; L807-L810 PolarHBondContact O-N 3.01Å; L807-Y811 WeakPolarHBondContact O-CB 3.45Å; L807-Y811 PolarHBondContact O-N 3Å; L807-I826 HydrophobicContact CD2-CG2 4.41Å; L807-I826 WeakPolarHBondContact O-CG2 3.28Å; L807-L829 HydrophobicContact CD1-CB 4.47Å; L807-L829 HydrophobicContact CD2-CD1 4.17Å; L807-L830 HydrophobicContact CB-CD2 3.64Å; L807-L830 HydrophobicContact CB-CG 4.14Å; L807-L830 HydrophobicContact CD1-CD2 4.43Å
808S87.6Confident84.4Confident32 Ų3238.1 Ų38.122%0.22421%0.209CC..Hα-helixtrans-66.8-38.9176.1-60.90000112.1H804 S805 L806 Y811 G812H804-S808 WeakPolarHBondContact O-CB 3.04Å; H804-S808 PolarHBondContact O-N 2.7Å; H804-S808 PolarHBondContact O-OG 2.95Å; S805-S808 WeakPolarHBondContact O-CB 3.37Å; S805-S808 PolarHBondContact O-N 3.27Å; L806-S808 VanDerWaalsContact C-N 3.3Å; L806-S808 PolarHBondContact O-N 3.35Å; S808-Y811 WeakPolarHBondContact O-CB 3.41Å; S808-G812 PolarHBondContact O-N 3.43Å
809E87.5Confident85Confident7 Ų735.8 Ų35.83%0.03320%0.198CC..Hα-helixtrans-66.3-46171.8-173.6-171.7164.900111.6Y676 L677 S805 L806 Y811 G812 K813Y676-E809 WeakPolarHBondContact CA-OE2 3.37Å; Y676-E809 VanDerWaalsContact N-CD 3.28Å; Y676-E809 PolarHBondContact N-OE1 2.98Å; Y676-E809 PolarHBondContact N-OE2 3.26Å; L677-E809 WeakPolarHBondContact CB-OE1 3.35Å; L677-E809 HydrophobicContact CD1-CB 4.35Å; L677-E809 HydrophobicContact CD1-CG 4.43Å; L677-E809 VanDerWaalsContact N-CD 3.29Å; L677-E809 PolarHBondContact N-OE1 3.33Å; L677-E809 PolarHBondContact N-OE2 2.94Å; S805-E809 PolarHBondContact O-N 2.88Å; L806-E809 PolarHBondContact O-N 3.34Å; E809-Y811 VanDerWaalsContact C-N 3.28Å; E809-Y811 PolarHBondContact O-N 2.94Å; E809-G812 PolarHBondContact O-N 2.8Å; E809-G812 VanDerWaalsContact O-N 3.07Å; E809-K813 PolarHBondContact O-N 2.95Å; E809-K813 WeakPolarHBondContact OE1-CE 3.18Å; E809-K813 IonicContact OE1-NZ 3.21Å; E809-K813 PolarHBondContact OE1-NZ 3.33Å
810L87.6Confident85.8Confident0 Ų029.2 Ų29.20%017%0.167CC..Hα-helixtrans-61.1-38.7178.7-174.466.5000111.6L677 L773 Q776 A777 L780 L806 L807 G812 K813 A814 I826L677-L810 HydrophobicContact CD1-CB 3.97Å; L677-L810 HydrophobicContact CD1-CD1 4.42Å; L773-L810 HydrophobicContact CB-CD1 4.49Å; L773-L810 HydrophobicContact CD2-CD1 3.57Å; Q776-L810 HydrophobicContact CB-CD1 3.91Å; Q776-L810 HydrophobicContact CB-CD2 4.3Å; Q776-L810 VanDerWaalsContact OE1-CD1 3.22Å; A777-L810 HydrophobicContact CB-CD2 3.74Å; L780-L810 HydrophobicContact CD1-CB 4.33Å; L780-L810 HydrophobicContact CD1-CD2 3.95Å; L806-L810 WeakPolarHBondContact O-CB 3.17Å; L806-L810 PolarHBondContact O-N 3.1Å; L807-L810 PolarHBondContact O-N 3.01Å; L810-G812 VanDerWaalsContact C-N 3.32Å; L810-G812 PolarHBondContact O-N 3.5Å; L810-K813 PolarHBondContact O-N 3.21Å; L810-A814 WeakPolarHBondContact O-CB 3.43Å; L810-A814 PolarHBondContact O-N 3.25Å; L810-I826 HydrophobicContact CB-CD1 4.35Å; L810-I826 HydrophobicContact CD2-CD1 3.72Å; L810-I826 HydrophobicContact CD2-CG1 4.31Å; L810-I826 HydrophobicContact CG-CD1 3.64Å
811Y87.9Confident86Confident13 Ų1328.5 Ų28.55%0.05115%0.154CC..Hα-helixtrans-54.7-47.5171.6169.5-94.1000111.7Y531 L807 S808 E809 A814 G815 I823 S827 L830 K832Y531-Y811 WeakPolarHBondContact CA-OH 3.21Å; Y531-Y811 WeakPolarHBondContact CB-OH 3.42Å; Y531-Y811 HydrophobicContact CD1-CE2 4.06Å; Y531-Y811 PolarHBondContact N-OH 3.35Å; L807-Y811 WeakPolarHBondContact O-CB 3.45Å; L807-Y811 PolarHBondContact O-N 3Å; S808-Y811 WeakPolarHBondContact O-CB 3.41Å; E809-Y811 VanDerWaalsContact C-N 3.28Å; E809-Y811 PolarHBondContact O-N 2.94Å; Y811-A814 PolarHBondContact O-N 3.04Å; Y811-G815 PolarHBondContact O-N 2.98Å; Y811-I823 HydrophobicContact CD2-CG2 4.24Å; Y811-I823 HydrophobicContact CE2-CG2 3.79Å; Y811-S827 VanDerWaalsContact CE2-OG 3.28Å; Y811-S827 WeakPolarHBondContact CE2-OG 3.3Å; Y811-L830 HydrophobicContact CG-CD1 4.43Å; Y811-K832 HydrophobicContact CD2-CD 4.34Å; Y811-K832 HydrophobicContact CE1-CD 4.4Å; Y811-K832 HydrophobicContact CE2-CD 3.94Å; Y811-K832 VanDerWaalsContact CZ-NZ 3.34Å
812G83.2Confident85.9Confident17 Ų1728.7 Ų28.718%0.17516%0.155CC..Hα-helixtrans-62.3-43.6176.600000112.4S808 E809 L810 G815 L816S808-G812 PolarHBondContact O-N 3.43Å; E809-G812 PolarHBondContact O-N 2.8Å; E809-G812 VanDerWaalsContact O-N 3.07Å; L810-G812 VanDerWaalsContact C-N 3.32Å; L810-G812 PolarHBondContact O-N 3.5Å; G812-G815 PolarHBondContact O-N 3.43Å; G812-L816 WeakPolarHBondContact O-CG 3.45Å; G812-L816 PolarHBondContact O-N 3.18Å
813K85.1Confident85.9Confident31 Ų3127 Ų2714%0.13514%0.144CC..Hα-helixtrans-64.8-44.7177.2-69-176.8178.9177.40112.7L677 P678 L773 E809 L810 G815 L816 N817L677-K813 PolarHBondContact O-NZ 3Å; P678-K813 PolarHBondContact O-NZ 3.33Å; L773-K813 HydrophobicContact CD2-CB 3.8Å; L773-K813 HydrophobicContact CD2-CD 4.45Å; E809-K813 PolarHBondContact O-N 2.95Å; E809-K813 WeakPolarHBondContact OE1-CE 3.18Å; E809-K813 IonicContact OE1-NZ 3.21Å; E809-K813 PolarHBondContact OE1-NZ 3.33Å; L810-K813 PolarHBondContact O-N 3.21Å; K813-G815 VanDerWaalsContact C-N 3.27Å; K813-G815 PolarHBondContact O-N 3.26Å; K813-L816 PolarHBondContact O-N 3.27Å; K813-N817 PolarHBondContact O-N 3.07Å; K813-N817 PolarHBondContact O-ND2 3.19Å
814A85.6Confident85.9Confident0 Ų027 Ų270%014%0.144CC..Hα-helixtrans-61.1-40.6175.700000110.8L810 Y811 N817 Q818 E819 L822 I823 I826L810-A814 WeakPolarHBondContact O-CB 3.43Å; L810-A814 PolarHBondContact O-N 3.25Å; Y811-A814 PolarHBondContact O-N 3.04Å; A814-N817 CarbonylContact O-C 3.55Å; A814-N817 PolarHBondContact O-N 2.98Å; A814-Q818 PolarHBondContact O-N 3.25Å; A814-E819 PolarHBondContact O-N 3.38Å; A814-E819 VanDerWaalsContact O-N 3.15Å; A814-L822 HydrophobicContact CB-CD2 4.15Å; A814-L822 HydrophobicContact CB-CG 4.31Å; A814-I823 HydrophobicContact CB-CG1 3.65Å; A814-I823 WeakPolarHBondContact O-CD1 3.4Å; A814-I826 HydrophobicContact CB-CD1 4.08Å
815G83.8Confident85.8Confident2 Ų225.1 Ų25.12%0.02113%0.134CC..Hα-helixtrans-55.2-52.1172.600000114L534 Y811 G812 K813 N817 Q818L534-G815 VanDerWaalsContact CD1-CA 3.42Å; Y811-G815 PolarHBondContact O-N 2.98Å; G812-G815 PolarHBondContact O-N 3.43Å; K813-G815 VanDerWaalsContact C-N 3.27Å; K813-G815 PolarHBondContact O-N 3.26Å; G815-N817 PolarHBondContact O-N 3.47Å; G815-Q818 PolarHBondContact O-N 3.12Å
816L80.5Confident85.8Confident111 Ų11123.9 Ų23.958%0.58113%0.125SC*.Hα-helixtrans-62.2-27.6178.7-70.5171.3000113.3T569 G812 K813T569-L816 HydrophobicContact CG2-CD2 4.15Å; G812-L816 WeakPolarHBondContact O-CG 3.45Å; G812-L816 PolarHBondContact O-N 3.18Å; K813-L816 PolarHBondContact O-N 3.27Å
817N81.9Confident85.8Confident65 Ų6523.9 Ų23.935%0.34813%0.125SC..THydrogen-bonded Turntrans-94.2-0.4176.6-66.3-80.1000113.4L680 L773 K813 A814 G815 E819L680-N817 WeakPolarHBondContact CD1-ND2 3.29Å; L773-N817 HydrophobicContact CD1-CB 4.22Å; K813-N817 PolarHBondContact O-N 3.07Å; K813-N817 PolarHBondContact O-ND2 3.19Å; A814-N817 CarbonylContact O-C 3.55Å; A814-N817 PolarHBondContact O-N 2.98Å; G815-N817 PolarHBondContact O-N 3.47Å; N817-E819 VanDerWaalsContact C-N 3.26Å; N817-E819 HydrophobicContact CB-CG 4.11Å; N817-E819 PolarHBondContact O-N 3.08Å
818Q82.9Confident85.7Confident56 Ų5623.9 Ų23.926%0.26213%0.126SC..THydrogen-bonded Turntrans56.335-179.1-59.9-179.9-18.900113.9A814 G815 W820A814-Q818 PolarHBondContact O-N 3.25Å; G815-Q818 PolarHBondContact O-N 3.12Å; Q818-W820 VanDerWaalsContact C-N 3.33Å; Q818-W820 HydrophobicContact CB-CH2 4.37Å; Q818-W820 HydrophobicContact CB-CZ2 3.77Å; Q818-W820 HydrophobicContact CG-CH2 4.22Å; Q818-W820 HydrophobicContact CG-CZ2 3.89Å; Q818-W820 PolarHBondContact O-N 3.45Å; Q818-W820 PolarHBondContact O-NE1 3.34Å
819E84.4Confident85.6Confident52 Ų5222.8 Ų22.824%0.24312%0.117CC..  trans-80.176.8176.4-66.3-66.8173.300110.4L773 A814 N817 S821 L822 I823L773-E819 HydrophobicContact CD1-CG 4.41Å; A814-E819 PolarHBondContact O-N 3.38Å; A814-E819 VanDerWaalsContact O-N 3.15Å; N817-E819 VanDerWaalsContact C-N 3.26Å; N817-E819 HydrophobicContact CB-CG 4.11Å; N817-E819 PolarHBondContact O-N 3.08Å; E819-S821 PolarHBondContact O-N 2.93Å; E819-L822 HydrophobicContact CB-CB 4.03Å; E819-L822 HydrophobicContact CB-CD2 4.49Å; E819-L822 PolarHBondContact O-N 2.93Å; E819-L822 VanDerWaalsContact O-N 3.12Å; E819-I823 VanDerWaalsContact O-CG1 3.27Å; E819-I823 WeakPolarHBondContact O-CG1 3.41Å; E819-I823 PolarHBondContact O-N 3.38Å
820W88.4Confident85.6Confident25 Ų2523.6 Ų23.610%0.09512%0.122CC..Hα-helixtrans-58.5-41-165.2-57.5117.4000115.5Y531 L534 D535 Q818 I823 R824 P948Y531-W820 HydrophobicContact CD2-CE3 4.42Å; Y531-W820 HydrophobicContact CD2-CZ3 4.32Å; L534-W820 HydrophobicContact CB-CH2 4.3Å; L534-W820 HydrophobicContact CB-CZ3 4.42Å; D535-W820 HydrophobicContact CB-CH2 3.78Å; D535-W820 HydrophobicContact CB-CZ2 4.17Å; Q818-W820 VanDerWaalsContact C-N 3.33Å; Q818-W820 HydrophobicContact CB-CH2 4.37Å; Q818-W820 HydrophobicContact CB-CZ2 3.77Å; Q818-W820 HydrophobicContact CG-CH2 4.22Å; Q818-W820 HydrophobicContact CG-CZ2 3.89Å; Q818-W820 PolarHBondContact O-N 3.45Å; Q818-W820 PolarHBondContact O-NE1 3.34Å; W820-I823 HydrophobicContact CE3-CD1 3.78Å; W820-I823 HydrophobicContact CZ3-CD1 4.06Å; W820-I823 PolarHBondContact O-N 3.01Å; W820-R824 WeakPolarHBondContact O-CG 3.38Å; W820-R824 PolarHBondContact O-N 3.39Å; W820-P948 HydrophobicContact CE3-CG 4.25Å; W820-P948 HydrophobicContact CH2-CG 4.43Å; W820-P948 HydrophobicContact CZ3-CG 4.03Å
821S84.9Confident85.5Confident32 Ų3231.5 Ų31.522%0.22415%0.152CC..Hα-helixtrans-65.6-41.4177.154.60000111.8E819 R824 Y825 M944 N945E819-S821 PolarHBondContact O-N 2.93Å; S821-R824 PolarHBondContact O-N 3.29Å; S821-Y825 WeakPolarHBondContact O-CB 3.47Å; S821-Y825 PolarHBondContact O-N 3.47Å; S821-M944 VanDerWaalsContact CA-O 3.27Å; S821-M944 WeakPolarHBondContact CA-O 3.1Å; S821-M944 PolarHBondContact N-O 2.95Å; S821-N945 WeakPolarHBondContact CB-OD1 3.41Å; S821-N945 PolarHBondContact OG-OD1 2.9Å
822L84Confident85.4Confident6 Ų632.8 Ų32.83%0.03116%0.157CC..Hα-helixtrans-67.4-41177.8-172.260.6000111.5L773 A777 A814 E819 Y825 I826L773-L822 HydrophobicContact CB-CD2 3.69Å; A777-L822 HydrophobicContact CB-CD1 3.51Å; A814-L822 HydrophobicContact CB-CD2 4.15Å; A814-L822 HydrophobicContact CB-CG 4.31Å; E819-L822 HydrophobicContact CB-CB 4.03Å; E819-L822 HydrophobicContact CB-CD2 4.49Å; E819-L822 PolarHBondContact O-N 2.93Å; E819-L822 VanDerWaalsContact O-N 3.12Å; L822-Y825 HydrophobicContact CD1-CD1 4.39Å; L822-Y825 PolarHBondContact O-N 3.42Å; L822-I826 HydrophobicContact CD1-CD1 4.13Å; L822-I826 HydrophobicContact CD1-CG1 4.33Å; L822-I826 HydrophobicContact CD2-CD1 4.45Å; L822-I826 HydrophobicContact CG-CD1 3.8Å; L822-I826 HydrophobicContact CG-CG1 4.43Å; L822-I826 VanDerWaalsContact O-CG1 3.27Å; L822-I826 WeakPolarHBondContact O-CG1 3.38Å; L822-I826 PolarHBondContact O-N 2.98Å
823I88.4Confident85.6Confident0 Ų034.4 Ų34.40%016%0.159CC..Hα-helixtrans-60.9-46.1175-64.2162000110.7Y531 Y811 A814 E819 W820 Y825 S827Y531-I823 HydrophobicContact CD1-CG2 3.42Å; Y531-I823 VanDerWaalsContact CD1-CG2 3.42Å; Y531-I823 HydrophobicContact CD2-CG2 3.98Å; Y531-I823 HydrophobicContact CE1-CG2 4.01Å; Y531-I823 HydrophobicContact CG-CG2 3.39Å; Y811-I823 HydrophobicContact CD2-CG2 4.24Å; Y811-I823 HydrophobicContact CE2-CG2 3.79Å; A814-I823 HydrophobicContact CB-CG1 3.65Å; A814-I823 WeakPolarHBondContact O-CD1 3.4Å; E819-I823 VanDerWaalsContact O-CG1 3.27Å; E819-I823 WeakPolarHBondContact O-CG1 3.41Å; E819-I823 PolarHBondContact O-N 3.38Å; W820-I823 HydrophobicContact CE3-CD1 3.78Å; W820-I823 HydrophobicContact CZ3-CD1 4.06Å; W820-I823 PolarHBondContact O-N 3.01Å; I823-Y825 VanDerWaalsContact C-N 3.32Å; I823-Y825 PolarHBondContact O-N 3.16Å; I823-S827 VanDerWaalsContact O-CB 3.23Å; I823-S827 WeakPolarHBondContact O-CB 3.41Å; I823-S827 PolarHBondContact O-N 3.13Å; I823-S827 PolarHBondContact O-OG 3.19Å
824R88.6Confident85.6Confident0 Ų033.1 Ų33.10%015%0.154CC..Hα-helixtrans-59.8-43.7175.9-77.8175.5180110.95.3111.5Y531 W820 S821 S827 G828 V889 E893 M944 L946Y531-R824 WeakPolarHBondContact OH-CG 3.39Å; W820-R824 WeakPolarHBondContact O-CG 3.38Å; W820-R824 PolarHBondContact O-N 3.39Å; S821-R824 PolarHBondContact O-N 3.29Å; R824-S827 WeakPolarHBondContact O-CB 3.41Å; R824-S827 PolarHBondContact O-N 3.26Å; R824-G828 PolarHBondContact O-N 2.84Å; R824-V889 HydrophobicContact CG-CG1 4.42Å; R824-E893 IonicContact CZ-OE1 3.8Å; R824-E893 IonicContact CZ-OE2 2.73Å; R824-E893 IonicContact NE-OE1 2.95Å; R824-E893 PolarHBondContact NE-OE1 3.14Å; R824-E893 IonicContact NE-OE2 2.69Å; R824-E893 IonicContact NH2-OE1 3.87Å; R824-E893 PolarHBondContact NH2-OE1 2.72Å; R824-E893 VanDerWaalsContact NH2-OE1 3.16Å; R824-E893 IonicContact NH2-OE2 3.65Å; R824-E893 PolarHBondContact NH2-OE2 2.68Å; R824-M944 HydrophobicContact CB-CE 3.98Å; R824-M944 HydrophobicContact CG-CE 4.48Å; R824-M944 PolarHBondContact NH1-O 3.06Å; R824-L946 PolarHBondContact NH1-O 3.28Å; R824-L946 PolarHBondContact NH2-O 3.03Å
825Y84.8Confident85.2Confident51 Ų5135.6 Ų35.620%0.217%0.166CC..Hα-helixtrans-63-51.6178.6178.8-112.5000112.5Y781 S821 L822 I823 S827 G828 L829 I885Y781-Y825 WeakPolarHBondContact CD2-OH 3.46Å; S821-Y825 WeakPolarHBondContact O-CB 3.47Å; S821-Y825 PolarHBondContact O-N 3.47Å; L822-Y825 HydrophobicContact CD1-CD1 4.39Å; L822-Y825 PolarHBondContact O-N 3.42Å; I823-Y825 VanDerWaalsContact C-N 3.32Å; I823-Y825 PolarHBondContact O-N 3.16Å; Y825-S827 VanDerWaalsContact C-N 3.29Å; Y825-S827 PolarHBondContact O-N 3.39Å; Y825-G828 PolarHBondContact O-N 3.3Å; Y825-G828 VanDerWaalsContact O-N 3.11Å; Y825-L829 HydrophobicContact CD1-CD1 4.26Å; Y825-L829 HydrophobicContact CE1-CD1 3.75Å; Y825-L829 PolarHBondContact O-N 3.1Å; Y825-L829 VanDerWaalsContact O-N 3.1Å; Y825-I885 HydrophobicContact CD2-CD1 4.14Å; Y825-I885 HydrophobicContact CD2-CG1 4.39Å; Y825-I885 HydrophobicContact CE2-CD1 3.91Å; Y825-I885 HydrophobicContact CE2-CG1 4.42Å
826I87.6Confident85.1Confident0 Ų038.6 Ų38.60%018%0.184CC..Hα-helixtrans-63.2-38177.9-61.5161.3000110.7L807 L810 A814 L822 G828 L829 L830L807-I826 HydrophobicContact CD2-CG2 4.41Å; L807-I826 WeakPolarHBondContact O-CG2 3.28Å; L810-I826 HydrophobicContact CB-CD1 4.35Å; L810-I826 HydrophobicContact CD2-CD1 3.72Å; L810-I826 HydrophobicContact CD2-CG1 4.31Å; L810-I826 HydrophobicContact CG-CD1 3.64Å; A814-I826 HydrophobicContact CB-CD1 4.08Å; L822-I826 HydrophobicContact CD1-CD1 4.13Å; L822-I826 HydrophobicContact CD1-CG1 4.33Å; L822-I826 HydrophobicContact CD2-CD1 4.45Å; L822-I826 HydrophobicContact CG-CD1 3.8Å; L822-I826 HydrophobicContact CG-CG1 4.43Å; L822-I826 VanDerWaalsContact O-CG1 3.27Å; L822-I826 WeakPolarHBondContact O-CG1 3.38Å; L822-I826 PolarHBondContact O-N 2.98Å; I826-G828 VanDerWaalsContact C-N 3.27Å; I826-G828 PolarHBondContact O-N 2.91Å; I826-L829 PolarHBondContact O-N 3.38Å; I826-L829 VanDerWaalsContact O-N 3.16Å; I826-L830 HydrophobicContact CG2-CD1 3.9Å; I826-L830 HydrophobicContact CG2-CG 4.26Å; I826-L830 WeakPolarHBondContact O-CB 3.26Å; I826-L830 WeakPolarHBondContact O-CG 3.41Å; I826-L830 PolarHBondContact O-N 2.92Å
827S89.1Confident85.5Confident0 Ų033.4 Ų33.40%016%0.156CC..Hα-helixtrans-59.1-40.2174.7-62.10000111.8Y811 I823 R824 Y825 R831 K832Y811-S827 VanDerWaalsContact CE2-OG 3.28Å; Y811-S827 WeakPolarHBondContact CE2-OG 3.3Å; I823-S827 VanDerWaalsContact O-CB 3.23Å; I823-S827 WeakPolarHBondContact O-CB 3.41Å; I823-S827 PolarHBondContact O-N 3.13Å; I823-S827 PolarHBondContact O-OG 3.19Å; R824-S827 WeakPolarHBondContact O-CB 3.41Å; R824-S827 PolarHBondContact O-N 3.26Å; Y825-S827 VanDerWaalsContact C-N 3.29Å; Y825-S827 PolarHBondContact O-N 3.39Å; S827-R831 PolarHBondContact O-N 2.82Å; S827-K832 PolarHBondContact O-N 3.28Å
828G86.6Confident85.6Confident2 Ų230.7 Ų30.72%0.02114%0.143CC..Hα-helixtrans-64.9-39.917500000112.7R824 Y825 I826 R831R824-G828 PolarHBondContact O-N 2.84Å; Y825-G828 PolarHBondContact O-N 3.3Å; Y825-G828 VanDerWaalsContact O-N 3.11Å; I826-G828 VanDerWaalsContact C-N 3.27Å; I826-G828 PolarHBondContact O-N 2.91Å; G828-R831 PolarHBondContact O-N 3.16Å
829L84.8Confident85.6Confident9 Ų930 Ų305%0.04714%0.14CC..Hα-helixtrans-66.3-43.1176.7-69.7175.4000112.1Y781 Y784 L807 Y825 I826 R831 I885Y781-L829 HydrophobicContact CD2-CD1 4.25Å; Y781-L829 HydrophobicContact CD2-CD2 3.72Å; Y781-L829 HydrophobicContact CE2-CD2 4.1Å; Y784-L829 HydrophobicContact CD1-CD2 4.37Å; Y784-L829 HydrophobicContact CE1-CD2 4.45Å; L807-L829 HydrophobicContact CD1-CB 4.47Å; L807-L829 HydrophobicContact CD2-CD1 4.17Å; Y825-L829 HydrophobicContact CD1-CD1 4.26Å; Y825-L829 HydrophobicContact CE1-CD1 3.75Å; Y825-L829 PolarHBondContact O-N 3.1Å; Y825-L829 VanDerWaalsContact O-N 3.1Å; I826-L829 PolarHBondContact O-N 3.38Å; I826-L829 VanDerWaalsContact O-N 3.16Å; L829-R831 PolarHBondContact O-N 3.48Å; L829-I885 HydrophobicContact CB-CD1 4.44Å; L829-I885 HydrophobicContact CD2-CD1 3.32Å; L829-I885 HydrophobicContact CG-CD1 3.58Å
830L86.8Confident85.8Confident23 Ų2327.8 Ų27.812%0.1213%0.131CC..THydrogen-bonded Turntrans-73.7-3.8175-69.6175.4000113L807 Y811 I826 K832L807-L830 HydrophobicContact CB-CD2 3.64Å; L807-L830 HydrophobicContact CB-CG 4.14Å; L807-L830 HydrophobicContact CD1-CD2 4.43Å; Y811-L830 HydrophobicContact CG-CD1 4.43Å; I826-L830 HydrophobicContact CG2-CD1 3.9Å; I826-L830 HydrophobicContact CG2-CG 4.26Å; I826-L830 WeakPolarHBondContact O-CB 3.26Å; I826-L830 WeakPolarHBondContact O-CG 3.41Å; I826-L830 PolarHBondContact O-N 2.92Å; L830-K832 HydrophobicContact CB-CG 3.95Å; L830-K832 PolarHBondContact O-N 3.39Å
831R87.1Confident85.9Confident167 Ų16726.7 Ų26.763%0.6313%0.127SC*.THydrogen-bonded Turntrans48.939.6-172-64.7-172.2169.5-153.5-3.4112.9S827 G828 L829 Y878S827-R831 PolarHBondContact O-N 2.82Å; G828-R831 PolarHBondContact O-N 3.16Å; L829-R831 PolarHBondContact O-N 3.48Å; R831-Y878 WeakPolarHBondContact CA-OH 3.46Å; R831-Y878 HydrophobicContact CG-CE1 4.42Å
832K85.7Confident85.8Confident40 Ų4025.4 Ų25.417%0.17412%0.118CC..  trans-60.7142.5177.9-75.6-161.6166-156.60110.5F530 Y811 S827 L830 Y878 Q892F530-K832 HydrophobicContact CD2-CB 4.47Å; Y811-K832 HydrophobicContact CD2-CD 4.34Å; Y811-K832 HydrophobicContact CE1-CD 4.4Å; Y811-K832 HydrophobicContact CE2-CD 3.94Å; Y811-K832 VanDerWaalsContact CZ-NZ 3.34Å; S827-K832 PolarHBondContact O-N 3.28Å; L830-K832 HydrophobicContact CB-CG 3.95Å; L830-K832 PolarHBondContact O-N 3.39Å; K832-Y878 PolarHBondContact O-OH 2.93Å; K832-Q892 PolarHBondContact O-NE2 2.73Å
833K85.8Confident85.7Confident50 Ų5025.7 Ų25.722%0.21712%0.12CC..  trans-112.4137.3178.3163.5-172.3163.7-1300108.8E835 P870 T874K833-E835 IonicContact NZ-OE2 3.16Å; K833-E835 PolarHBondContact NZ-OE2 2.98Å; K833-E835 PolarHBondContact O-N 2.78Å; K833-P870 HydrophobicContact CD-CB 4.46Å; K833-T874 HydrophobicContact CB-CG2 4.43Å
834V86.1Confident85.8Confident5 Ų525.7 Ų25.73%0.0312%0.12CC..  trans-70.8121.8163-175.60000108F530 V836 L837 Q892 V896F530-V834 HydrophobicContact CD1-CG2 3.85Å; F530-V834 HydrophobicContact CD2-CB 4.46Å; F530-V834 HydrophobicContact CD2-CG2 3.84Å; F530-V834 HydrophobicContact CE1-CG2 3.54Å; F530-V834 HydrophobicContact CE2-CG2 3.52Å; F530-V834 HydrophobicContact CG-CG2 3.99Å; F530-V834 HydrophobicContact CZ-CG2 3.36Å; V834-V836 VanDerWaalsContact C-N 3.32Å; V834-V836 HydrophobicContact CG1-CG2 3.88Å; V834-V836 PolarHBondContact O-N 3.45Å; V834-L837 HydrophobicContact CB-CB 4.2Å; V834-L837 WeakPolarHBondContact O-CB 3.42Å; V834-L837 PolarHBondContact O-N 3.07Å; V834-L837 VanDerWaalsContact O-N 3.11Å; V834-Q892 HydrophobicContact CG2-CB 3.82Å; V834-V896 HydrophobicContact CB-CG2 4.38Å; V834-V896 HydrophobicContact CG1-CG2 3.74Å
835E77.4Confident85.6Confident51 Ų5126.6 Ų26.624%0.23812%0.124CC..THydrogen-bonded Turntrans-59.8-41.7-172.4-75.8-60.1172.100113.9H501 H529 K833 L837H501-E835 IonicContact CD2-OE2 3.34Å; H501-E835 IonicContact CE1-OE2 3.91Å; H501-E835 WeakPolarHBondContact NE2-CB 3.35Å; H501-E835 VanDerWaalsContact NE2-CG 3.34Å; H501-E835 WeakPolarHBondContact NE2-CG 3.43Å; H501-E835 IonicContact NE2-OE1 3.89Å; H501-E835 IonicContact NE2-OE2 3Å; H501-E835 PolarHBondContact NE2-OE2 3.34Å; H529-E835 HydrophobicContact CB-CG 4.06Å; H529-E835 IonicContact CD2-OE1 2.73Å; H529-E835 PolarHBondContact CD2-OE1 2.84Å; K833-E835 IonicContact NZ-OE2 3.16Å; K833-E835 PolarHBondContact NZ-OE2 2.98Å; K833-E835 PolarHBondContact O-N 2.78Å; E835-L837 PolarHBondContact O-N 3.41Å
836V81.7Confident85.1Confident66 Ų6624.4 Ų24.440%0.412%0.116SC..THydrogen-bonded Turntrans-82.412.3-179.9-61.40000113.9V834 A838 E839 A840 V896V834-V836 VanDerWaalsContact C-N 3.32Å; V834-V836 HydrophobicContact CG1-CG2 3.88Å; V834-V836 PolarHBondContact O-N 3.45Å; V836-A838 PolarHBondContact O-N 3.32Å; V836-E839 WeakPolarHBondContact CA-OE2 3.41Å; V836-E839 PolarHBondContact O-N 3.03Å; V836-A840 VanDerWaalsContact O-CB 3.28Å; V836-A840 WeakPolarHBondContact O-CB 2.95Å; V836-A840 PolarHBondContact O-N 3.26Å; V836-V896 HydrophobicContact CG2-CG2 4.47Å
837L88.4Confident84.8Confident1 Ų126 Ų261%0.00512%0.124CC..Hα-helixtrans-65.1-40.3-174.2-178.765.6000112.7V834 E835 A840 C841 L873 I877 Q892 V895V834-L837 HydrophobicContact CB-CB 4.2Å; V834-L837 WeakPolarHBondContact O-CB 3.42Å; V834-L837 PolarHBondContact O-N 3.07Å; V834-L837 VanDerWaalsContact O-N 3.11Å; E835-L837 PolarHBondContact O-N 3.41Å; L837-A840 PolarHBondContact O-N 3.27Å; L837-C841 WeakPolarHBondContact O-CB 3.41Å; L837-C841 PolarHBondContact O-N 3.15Å; L837-L873 HydrophobicContact CD2-CD2 4.14Å; L837-L873 HydrophobicContact CD2-CG 4.23Å; L837-L873 HydrophobicContact CG-CD2 3.81Å; L837-L873 HydrophobicContact CG-CG 4.41Å; L837-I877 HydrophobicContact CD2-CD1 3.79Å; L837-Q892 HydrophobicContact CD1-CB 4.06Å; L837-Q892 HydrophobicContact CD1-CG 4.23Å; L837-Q892 HydrophobicContact CD2-CB 4.38Å; L837-Q892 HydrophobicContact CD2-CG 3.73Å; L837-V895 HydrophobicContact CD1-CB 4.03Å; L837-V895 HydrophobicContact CD1-CG1 3.85Å
838A84.8Confident84.4Confident9 Ų927.7 Ų27.77%0.07413%0.132CC..Hα-helixtrans-69.2-39.3-178.800000110.7V836 C841 A842 P870 L873V836-A838 PolarHBondContact O-N 3.32Å; A838-C841 PolarHBondContact O-N 2.81Å; A838-A842 WeakPolarHBondContact O-CB 3.46Å; A838-A842 PolarHBondContact O-N 3.22Å; A838-P870 HydrophobicContact CB-CB 4.19Å; A838-P870 HydrophobicContact CB-CG 3.83Å; A838-L873 HydrophobicContact CB-CD2 4.42Å
839E82.4Confident84.5Confident41 Ų4128.9 Ų28.919%0.19214%0.136CC..Hα-helixtrans-64.2-46.8173.4-62.580.7178.200110.6V836 C841 A842 D843V836-E839 WeakPolarHBondContact CA-OE2 3.41Å; V836-E839 PolarHBondContact O-N 3.03Å; E839-C841 VanDerWaalsContact C-N 3.33Å; E839-C841 PolarHBondContact O-N 2.78Å; E839-A842 CarbonylContact O-C 3.51Å; E839-A842 WeakPolarHBondContact O-CB 3.43Å; E839-A842 PolarHBondContact O-N 3.22Å; E839-A842 VanDerWaalsContact O-N 3.13Å; E839-D843 WeakPolarHBondContact O-CB 3.49Å; E839-D843 PolarHBondContact O-N 3.05Å
840A88.8Confident84.7Confident6 Ų629.9 Ų29.95%0.0514%0.141CC..Hα-helixtrans-60-41.6175.500000112.4V836 L837 D843 L844 V895 V896 A899V836-A840 VanDerWaalsContact O-CB 3.28Å; V836-A840 WeakPolarHBondContact O-CB 2.95Å; V836-A840 PolarHBondContact O-N 3.26Å; L837-A840 PolarHBondContact O-N 3.27Å; A840-D843 PolarHBondContact O-N 3.21Å; A840-L844 WeakPolarHBondContact O-CG 3.4Å; A840-L844 PolarHBondContact O-N 2.67Å; A840-L844 VanDerWaalsContact O-N 3.13Å; A840-V895 HydrophobicContact CB-CG1 4.33Å; A840-V896 HydrophobicContact CB-CG2 4.25Å; A840-A899 HydrophobicContact CB-CB 3.54Å; A840-A899 WeakPolarHBondContact O-CB 3.12Å
841C89.9Confident85Confident1 Ų128.9 Ų28.91%0.00714%0.136CC..Hα-helixtrans-65-42.9174.1-1740000111.4L837 A838 E839 L844 L845 L851 L873L837-C841 WeakPolarHBondContact O-CB 3.41Å; L837-C841 PolarHBondContact O-N 3.15Å; A838-C841 PolarHBondContact O-N 2.81Å; E839-C841 VanDerWaalsContact C-N 3.33Å; E839-C841 PolarHBondContact O-N 2.78Å; C841-L844 PolarHBondContact O-N 3.3Å; C841-L845 VanDerWaalsContact O-CG 3.26Å; C841-L845 WeakPolarHBondContact O-CG 3.31Å; C841-L845 PolarHBondContact O-N 2.89Å; C841-L845 VanDerWaalsContact O-N 3.08Å; C841-L851 HydrophobicContact CB-CD1 4.43Å; C841-L873 HydrophobicContact CB-CD2 3.82Å
842A83.3Confident85.2Confident5 Ų520.9 Ų20.94%0.04111%0.106CC..Hα-helixtrans-61.9-43.2176.300000111.2Y176 A838 E839 L844 L845 S846 P867Y176-A842 HydrophobicContact CD2-CB 4.49Å; Y176-A842 HydrophobicContact CE2-CB 4.11Å; A838-A842 WeakPolarHBondContact O-CB 3.46Å; A838-A842 PolarHBondContact O-N 3.22Å; E839-A842 CarbonylContact O-C 3.51Å; E839-A842 WeakPolarHBondContact O-CB 3.43Å; E839-A842 PolarHBondContact O-N 3.22Å; E839-A842 VanDerWaalsContact O-N 3.13Å; A842-L844 VanDerWaalsContact C-N 3.33Å; A842-L844 PolarHBondContact O-N 2.97Å; A842-L845 PolarHBondContact O-N 3.49Å; A842-S846 WeakPolarHBondContact O-CA 3.29Å; A842-S846 WeakPolarHBondContact O-CB 3.35Å; A842-S846 PolarHBondContact O-N 3.11Å; A842-P867 HydrophobicContact CB-CB 4.23Å; A842-P867 HydrophobicContact CB-CG 4.31Å
843D82.7Confident85.4Confident13 Ų1319 Ų197%0.0710%0.097CC..Hα-helixtrans-60.2-37.7176.5-78-8.6000112.3H237 E839 A840 S846 H847 A899 R903H237-D843 IonicContact CE1-OD1 2.71Å; H237-D843 IonicContact ND1-OD1 2.99Å; E839-D843 WeakPolarHBondContact O-CB 3.49Å; E839-D843 PolarHBondContact O-N 3.05Å; A840-D843 PolarHBondContact O-N 3.21Å; D843-S846 VanDerWaalsContact O-CB 3.22Å; D843-S846 WeakPolarHBondContact O-CB 3.45Å; D843-S846 PolarHBondContact O-OG 2.95Å; D843-H847 PolarHBondContact O-N 2.83Å; D843-H847 PolarHBondContact O-ND1 3.06Å; D843-A899 HydrophobicContact CB-CB 4.42Å; D843-R903 WeakPolarHBondContact OD2-CD 3.45Å
844L89.2Confident85.4Confident0 Ų017 Ų170%09%0.091CC..Hα-helixtrans-70.7-46.3176.1-72.1163.7000112A840 C841 A842 S846 H847 K849 L851 V895 L898 A899 V902 L915A840-L844 WeakPolarHBondContact O-CG 3.4Å; A840-L844 PolarHBondContact O-N 2.67Å; A840-L844 VanDerWaalsContact O-N 3.13Å; C841-L844 PolarHBondContact O-N 3.3Å; A842-L844 VanDerWaalsContact C-N 3.33Å; A842-L844 PolarHBondContact O-N 2.97Å; L844-S846 VanDerWaalsContact C-N 3.33Å; L844-S846 PolarHBondContact O-N 2.74Å; L844-H847 CarbonylContact O-C 3.51Å; L844-H847 PolarHBondContact O-N 3.02Å; L844-H847 VanDerWaalsContact O-N 3.13Å; L844-K849 CarbonylContact C-O 3.55Å; L844-K849 HydrophobicContact CB-CB 4.48Å; L844-K849 VanDerWaalsContact O-CB 3.27Å; L844-K849 WeakPolarHBondContact O-CB 3.34Å; L844-K849 PolarHBondContact O-N 2.99Å; L844-L851 HydrophobicContact CB-CD1 4.22Å; L844-L851 HydrophobicContact CB-CD2 4.06Å; L844-L851 HydrophobicContact CB-CG 4.45Å; L844-L851 HydrophobicContact CD1-CD1 3.83Å; L844-L851 HydrophobicContact CD1-CD2 3.88Å; L844-L851 HydrophobicContact CD1-CG 4.48Å; L844-L851 HydrophobicContact CG-CD2 4.46Å; L844-V895 HydrophobicContact CD1-CG1 4.09Å; L844-L898 HydrophobicContact CD1-CB 3.96Å; L844-L898 HydrophobicContact CD2-CB 3.94Å; L844-A899 HydrophobicContact CD1-CB 4.34Å; L844-A899 HydrophobicContact CG-CB 4.21Å; L844-V902 HydrophobicContact CD2-CB 4.1Å; L844-V902 HydrophobicContact CD2-CG1 3.94Å; L844-L915 HydrophobicContact CD2-CD1 3.91Å
845L84.9Confident85.1Confident18 Ų1818.3 Ų18.39%0.09410%0.098CC..Hα-helixtrans-65-39.4179.1-67169.6000112C841 A842 H847 Q848 I864 P867C841-L845 VanDerWaalsContact O-CG 3.26Å; C841-L845 WeakPolarHBondContact O-CG 3.31Å; C841-L845 PolarHBondContact O-N 2.89Å; C841-L845 VanDerWaalsContact O-N 3.08Å; A842-L845 PolarHBondContact O-N 3.49Å; L845-H847 VanDerWaalsContact C-N 3.27Å; L845-H847 PolarHBondContact O-N 3.42Å; L845-Q848 VanDerWaalsContact O-CA 3.31Å; L845-Q848 WeakPolarHBondContact O-CA 3.37Å; L845-Q848 PolarHBondContact O-N 3.48Å; L845-I864 HydrophobicContact CD1-CG2 4.26Å; L845-I864 WeakPolarHBondContact CD2-O 3.44Å; L845-P867 HydrophobicContact CD1-CB 4.31Å; L845-P867 HydrophobicContact CD1-CG 3.88Å; L845-P867 VanDerWaalsContact CD1-N 3.3Å
846S74.6Confident84.8Confident5 Ų517 Ų174%0.0359%0.094CC..Hα-helixtrans-45.8-47.3166.9147.30000112.7I241 S244 A842 D843 L844 Q848I241-S846 WeakPolarHBondContact CD1-OG 3.44Å; S244-S846 WeakPolarHBondContact CB-O 3.39Å; S244-S846 PolarHBondContact OG-O 3.29Å; A842-S846 WeakPolarHBondContact O-CA 3.29Å; A842-S846 WeakPolarHBondContact O-CB 3.35Å; A842-S846 PolarHBondContact O-N 3.11Å; D843-S846 VanDerWaalsContact O-CB 3.22Å; D843-S846 WeakPolarHBondContact O-CB 3.45Å; D843-S846 PolarHBondContact O-OG 2.95Å; L844-S846 VanDerWaalsContact C-N 3.33Å; L844-S846 PolarHBondContact O-N 2.74Å; S846-Q848 PolarHBondContact O-N 2.88Å; S846-Q848 PolarHBondContact O-NE2 3.48Å
847H81.1Confident84.1Confident35 Ų3517.8 Ų17.816%0.16210%0.1CC..THydrogen-bonded Turntrans-8217.3177-70.979.3000113.2D843 L844 L845 K849 V902D843-H847 PolarHBondContact O-N 2.83Å; D843-H847 PolarHBondContact O-ND1 3.06Å; L844-H847 CarbonylContact O-C 3.51Å; L844-H847 PolarHBondContact O-N 3.02Å; L844-H847 VanDerWaalsContact O-N 3.13Å; L845-H847 VanDerWaalsContact C-N 3.27Å; L845-H847 PolarHBondContact O-N 3.42Å; H847-K849 VanDerWaalsContact C-N 3.29Å; H847-K849 HydrophobicContact CB-CG 4.23Å; H847-K849 WeakPolarHBondContact O-CE 3.48Å; H847-K849 PolarHBondContact O-N 2.89Å; H847-V902 HydrophobicContact CB-CG2 3.69Å
848Q79.8Confident83Confident35 Ų3524.6 Ų24.616%0.16413%0.132CC..THydrogen-bonded Turntrans6136.5-179.7-50.6-61.7-48.200112.6L845 S846L845-Q848 VanDerWaalsContact O-CA 3.31Å; L845-Q848 WeakPolarHBondContact O-CA 3.37Å; L845-Q848 PolarHBondContact O-N 3.48Å; S846-Q848 PolarHBondContact O-N 2.88Å; S846-Q848 PolarHBondContact O-NE2 3.48Å
849K88.4Confident82.3Confident26 Ų2629 Ų2911%0.11316%0.159CC..  trans-110.498.2175.6-46.1-57.5170-167.20109.3L844 H847 F909 M912 L915L844-K849 CarbonylContact C-O 3.55Å; L844-K849 HydrophobicContact CB-CB 4.48Å; L844-K849 VanDerWaalsContact O-CB 3.27Å; L844-K849 WeakPolarHBondContact O-CB 3.34Å; L844-K849 PolarHBondContact O-N 2.99Å; H847-K849 VanDerWaalsContact C-N 3.29Å; H847-K849 HydrophobicContact CB-CG 4.23Å; H847-K849 WeakPolarHBondContact O-CE 3.48Å; H847-K849 PolarHBondContact O-N 2.89Å; K849-F909 HydrophobicContact CD-CB 4.27Å; K849-F909 PolarHBondContact NZ-O 2.85Å; K849-M912 WeakPolarHBondContact CD-O 3.17Å; K849-M912 WeakPolarHBondContact CE-O 3.45Å; K849-M912 PolarHBondContact NZ-O 2.46Å; K849-L915 HydrophobicContact CB-CD1 3.98Å; K849-L915 HydrophobicContact CB-CG 4.17Å
850Q90.1Very high82Confident31 Ų3133.2 Ų33.215%0.14517%0.174CC..EExtended strand (participates in β ladder)trans-64.3148.8170.9-67.6-174.5-12.800110.1L913 R914 L915Q850-L913 PolarHBondContact N-O 3.48Å; Q850-R914 HydrophobicContact CB-CB 4.23Å; Q850-R914 HydrophobicContact CB-CG 4.14Å; Q850-R914 CarbonylContact O-C 3.54Å; Q850-R914 WeakPolarHBondContact O-CA 3.13Å; Q850-L915 PolarHBondContact O-N 3Å
851L91.9Very high81.9Confident1 Ų133.6 Ų33.61%0.00517%0.174CC..EExtended strand (participates in β ladder)trans-115148.3179.9-51.7178.9000110C841 L844 I864 V895 L915C841-L851 HydrophobicContact CB-CD1 4.43Å; L844-L851 HydrophobicContact CB-CD1 4.22Å; L844-L851 HydrophobicContact CB-CD2 4.06Å; L844-L851 HydrophobicContact CB-CG 4.45Å; L844-L851 HydrophobicContact CD1-CD1 3.83Å; L844-L851 HydrophobicContact CD1-CD2 3.88Å; L844-L851 HydrophobicContact CD1-CG 4.48Å; L844-L851 HydrophobicContact CG-CD2 4.46Å; L851-I864 HydrophobicContact CB-CB 4.31Å; L851-I864 PolarHBondContact N-O 3.16Å; L851-I864 PolarHBondContact O-N 3.23Å; L851-V895 HydrophobicContact CD1-CG1 4.38Å; L851-L915 WeakPolarHBondContact CA-O 3.42Å; L851-L915 HydrophobicContact CD2-CB 3.84Å; L851-L915 HydrophobicContact CD2-CD1 3.83Å; L851-L915 HydrophobicContact CD2-CG 4.14Å
852T91.6Very high81.9Confident0 Ų037.2 Ų37.20%019%0.19CC..EExtended strand (participates in β ladder)trans-127.4141160.9680000110.4E861 K862 T863 R914 L915 R916 I917T852-E861 VanDerWaalsContact CB-OE1 3.27Å; T852-E861 WeakPolarHBondContact CB-OE1 3.42Å; T852-E861 HydrophobicContact CG2-CG 4.25Å; T852-E861 PolarHBondContact OG1-OE1 3.37Å; T852-K862 CarbonylContact C-O 3.37Å; T852-K862 WeakPolarHBondContact CA-O 3.5Å; T852-K862 WeakPolarHBondContact CB-O 3.29Å; T852-T863 HydrophobicContact CG2-CG2 4.47Å; T852-R914 HydrophobicContact CG2-CG 4.16Å; T852-L915 PolarHBondContact N-O 3.34Å; T852-R916 VanDerWaalsContact OG1-CA 3.26Å; T852-R916 WeakPolarHBondContact OG1-CA 3.43Å; T852-R916 WeakPolarHBondContact OG1-CB 3.45Å; T852-R916 WeakPolarHBondContact OG1-CG 3.48Å; T852-I917 VanDerWaalsContact O-CB 3.3Å; T852-I917 WeakPolarHBondContact O-CB 3.43Å; T852-I917 VanDerWaalsContact O-CG1 3.24Å; T852-I917 WeakPolarHBondContact O-CG1 3.4Å; T852-I917 PolarHBondContact O-N 2.71Å
853V91.6Very high82.2Confident0 Ų039.4 Ų39.40%020%0.203CC..EExtended strand (participates in β ladder)trans-118.2150.9177.1-62.30000109.7E861 K862 I864 L876 I877 A880 T891 I917V853-E861 CarbonylContact O-C 3.47Å; V853-E861 WeakPolarHBondContact O-CA 3.46Å; V853-K862 HydrophobicContact CG2-CB 4.14Å; V853-K862 PolarHBondContact N-O 2.93Å; V853-K862 PolarHBondContact O-N 3.44Å; V853-I864 HydrophobicContact CG1-CD1 4.09Å; V853-I864 HydrophobicContact CG2-CD1 4.34Å; V853-L876 HydrophobicContact CG2-CD2 3.23Å; V853-I877 HydrophobicContact CG1-CG1 4.22Å; V853-I877 HydrophobicContact CG2-CG1 4.39Å; V853-A880 HydrophobicContact CB-CB 4.35Å; V853-A880 HydrophobicContact CG2-CB 3.71Å; V853-T891 HydrophobicContact CB-CG2 4.09Å; V853-T891 HydrophobicContact CG1-CG2 3.66Å; V853-I917 HydrophobicContact CG1-CG1 4.35Å
854G85.3Confident82.5Confident9 Ų939 Ų399%0.09320%0.201CC..SBendtrans84.6174.7-16700000113.1G918G854-G918 WeakPolarHBondContact O-CA 3.31Å
855L79.4Confident82.2Confident32 Ų3242.1 Ų42.117%0.16822%0.223CC..  trans-100.3143.6178.3-72.3168.3000110.7L732 R860 E861 G918 L919 Q922L732-L855 HydrophobicContact CD2-CD1 4.14Å; L732-L855 HydrophobicContact CD2-CD2 4.31Å; L855-R860 WeakPolarHBondContact O-CB 3.13Å; L855-E861 PolarHBondContact O-N 2.87Å; L855-G918 WeakPolarHBondContact CD2-O 3.5Å; L855-L919 HydrophobicContact CD2-CD2 4.45Å; L855-Q922 HydrophobicContact CD2-CB 4.47Å
856P70.5Confident81.8Confident24 Ų2444.8 Ų44.816%0.15624%0.24CC..SBendtrans-66.9162.1175.625.6-32.1000113.6R916 L919P856-R916 VanDerWaalsContact CB-NH2 3.32Å; P856-L919 HydrophobicContact CG-CD1 4.26Å; P856-L919 HydrophobicContact CG-CD2 3.69Å; P856-L919 HydrophobicContact CG-CG 4.08Å
857P66.9Low82Confident82 Ų8246.1 Ų46.153%0.53225%0.248SC..SBendcis-83.5175.5-5.633.4-35000113.4R860P857-R860 PolarHBondContact O-N 3.07Å
858E66.5Low82Confident144 Ų14446.3 Ų46.367%0.67325%0.25SS*.THydrogen-bonded Turntrans-53.8143168.3-67.5-173168.400110.6
859P69.4Low81.9Confident100 Ų10046.8 Ų46.865%0.64926%0.257SS*.THydrogen-bonded Turncis-93.9515.137-37.3000115.5K862P859-K862 WeakPolarHBondContact O-CE 3.37Å; P859-K862 PolarHBondContact O-NZ 3.25Å
860R76.9Confident81.6Confident131 Ų13148 Ų4849%0.49427%0.267SS..THydrogen-bonded Turntrans-72.1-38.3-178.9-68.6179.171.3-1680.1112L855 P857L855-R860 WeakPolarHBondContact O-CB 3.13Å; P857-R860 PolarHBondContact O-N 3.07Å
861E86.4Confident81.2Confident13 Ų1354.6 Ų54.66%0.06130%0.298CS..SBendtrans-77.6132.8169.3-172.8175.3-154.800110.5T852 V853 L855 R916T852-E861 VanDerWaalsContact CB-OE1 3.27Å; T852-E861 WeakPolarHBondContact CB-OE1 3.42Å; T852-E861 HydrophobicContact CG2-CG 4.25Å; T852-E861 PolarHBondContact OG1-OE1 3.37Å; V853-E861 CarbonylContact O-C 3.47Å; V853-E861 WeakPolarHBondContact O-CA 3.46Å; L855-E861 PolarHBondContact O-N 2.87Å; E861-R916 IonicContact OE1-CZ 2.84Å; E861-R916 IonicContact OE1-NE 2.92Å; E861-R916 PolarHBondContact OE1-NE 3.44Å; E861-R916 IonicContact OE1-NH2 3.85Å; E861-R916 PolarHBondContact OE1-NH2 3.24Å; E861-R916 IonicContact OE2-CZ 3.31Å; E861-R916 IonicContact OE2-NE 2.79Å; E861-R916 IonicContact OE2-NH2 2.8Å; E861-R916 PolarHBondContact OE2-NH2 2.82Å
862K89.1Confident80.9Confident78 Ų7859.8 Ų59.834%0.33932%0.322SS..EExtended strand (participates in β ladder)trans-121.1130.6177.4-60.9-60.9-173.2-168.80110.1T852 V853 P859 L876 A880T852-K862 CarbonylContact C-O 3.37Å; T852-K862 WeakPolarHBondContact CA-O 3.5Å; T852-K862 WeakPolarHBondContact CB-O 3.29Å; V853-K862 HydrophobicContact CG2-CB 4.14Å; V853-K862 PolarHBondContact N-O 2.93Å; V853-K862 PolarHBondContact O-N 3.44Å; P859-K862 WeakPolarHBondContact O-CE 3.37Å; P859-K862 PolarHBondContact O-NZ 3.25Å; K862-L876 HydrophobicContact CB-CD2 3.75Å; K862-L876 HydrophobicContact CB-CG 4.3Å; K862-L876 HydrophobicContact CG-CD2 4.37Å; K862-A880 HydrophobicContact CB-CB 4.36Å; K862-A880 HydrophobicContact CG-CB 3.89Å
863T89Confident80.8Confident50 Ų5059.9 Ų59.931%0.30732%0.323SS..EExtended strand (participates in β ladder)trans-88.7133.9177.7-60.20000111T852 R914T852-T863 HydrophobicContact CG2-CG2 4.47Å; T863-R914 PolarHBondContact OG1-NH1 2.77Å
864I90.3Very high80.6Confident5 Ų560.8 Ų60.83%0.02633%0.328CS..EExtended strand (participates in β ladder)trans-113.5106.3169.2-53.9164000106.8L845 L851 V853 T866 L868 L873 L876L845-I864 HydrophobicContact CD1-CG2 4.26Å; L845-I864 WeakPolarHBondContact CD2-O 3.44Å; L851-I864 HydrophobicContact CB-CB 4.31Å; L851-I864 PolarHBondContact N-O 3.16Å; L851-I864 PolarHBondContact O-N 3.23Å; V853-I864 HydrophobicContact CG1-CD1 4.09Å; V853-I864 HydrophobicContact CG2-CD1 4.34Å; I864-T866 WeakPolarHBondContact CG2-O 3.27Å; I864-L868 HydrophobicContact CG1-CD1 4.46Å; I864-L868 HydrophobicContact CG2-CD1 4.17Å; I864-L868 HydrophobicContact CG2-CG 4.36Å; I864-L873 HydrophobicContact CD1-CD1 3.6Å; I864-L876 HydrophobicContact CD1-CD2 4.13Å; I864-L876 HydrophobicContact CG1-CD1 4.32Å; I864-L876 HydrophobicContact CG1-CD2 4.09Å
865S83.1Confident80.8Confident66 Ų6666.9 Ų66.946%0.46235%0.352SS..  trans-109.2-12-178.854.20000113.7
866T76.5Confident81.4Confident74 Ų7467 Ų6745%0.45435%0.353SS..SBendtrans-135149.417853.70000108.7I864 L868I864-T866 WeakPolarHBondContact CG2-O 3.27Å; T866-L868 PolarHBondContact O-N 2.89Å
867P78.1Confident82.4Confident33 Ų3365.9 Ų65.921%0.21435%0.346CS..  trans-60.2137175.2-2234.1000109.7K177 A842 L845K177-P867 HydrophobicContact CB-CB 3.65Å; K177-P867 HydrophobicContact CB-CG 3.61Å; K177-P867 HydrophobicContact CD-CB 4.42Å; A842-P867 HydrophobicContact CB-CB 4.23Å; A842-P867 HydrophobicContact CB-CG 4.31Å; L845-P867 HydrophobicContact CD1-CB 4.31Å; L845-P867 HydrophobicContact CD1-CG 3.88Å; L845-P867 VanDerWaalsContact CD1-N 3.3Å
868L81.3Confident83.4Confident39 Ų3963.1 Ų63.120%0.20432%0.324CS..  trans-110.5151-178.8-65.1175.4000110.2I864 T866 L873 L876I864-L868 HydrophobicContact CG1-CD1 4.46Å; I864-L868 HydrophobicContact CG2-CD1 4.17Å; I864-L868 HydrophobicContact CG2-CG 4.36Å; T866-L868 PolarHBondContact O-N 2.89Å; L868-L873 HydrophobicContact CB-CB 4.12Å; L868-L873 HydrophobicContact CD1-CD1 4.45Å; L868-L876 HydrophobicContact CD1-CD1 3.78Å
869P78.1Confident84.5Confident45 Ų4561.8 Ų61.829%0.29232%0.318SS..  trans-52.4146.2167.2-25.134.3000111.3E871 E872 L873P869-E871 VanDerWaalsContact C-N 3.25Å; P869-E871 PolarHBondContact O-N 2.71Å; P869-E871 VanDerWaalsContact O-N 3.15Å; P869-E872 HydrophobicContact CB-CB 4.45Å; P869-E872 HydrophobicContact CB-CG 4.3Å; P869-E872 WeakPolarHBondContact CD-OE2 3.33Å; P869-E872 HydrophobicContact CG-CG 4.35Å; P869-E872 PolarHBondContact O-N 3.2Å; P869-E872 VanDerWaalsContact O-N 3.14Å; P869-L873 PolarHBondContact O-N 3.28Å
870P80.7Confident85.3Confident52 Ų5257.5 Ų57.534%0.33829%0.291SS..Hα-helixtrans-55.5-36.9-174.1-2531.5000114.7K833 A838 T874K833-P870 HydrophobicContact CD-CB 4.46Å; A838-P870 HydrophobicContact CB-CB 4.19Å; A838-P870 HydrophobicContact CB-CG 3.83Å; P870-T874 WeakPolarHBondContact O-CB 3.38Å; P870-T874 PolarHBondContact O-N 3.44Å; P870-T874 VanDerWaalsContact O-N 3.1Å; P870-T874 PolarHBondContact O-OG1 3.3Å
871E81.6Confident85.6Confident168 Ų16852 Ų5279%0.78527%0.273SS*.Hα-helixtrans-69.9-45.6179.2-65.9174.1-171.900111.9P869 T874 K875P869-E871 VanDerWaalsContact C-N 3.25Å; P869-E871 PolarHBondContact O-N 2.71Å; P869-E871 VanDerWaalsContact O-N 3.15Å; E871-T874 PolarHBondContact O-N 3.29Å; E871-K875 WeakPolarHBondContact O-CB 3.41Å; E871-K875 PolarHBondContact O-N 2.96Å
872E86.1Confident85Confident110 Ų11054 Ų5451%0.51430%0.297SS..Hα-helixtrans-64.1-42.9177.2-66.9-172.6-178.300111.5P869 T874 K875 L876P869-E872 HydrophobicContact CB-CB 4.45Å; P869-E872 HydrophobicContact CB-CG 4.3Å; P869-E872 WeakPolarHBondContact CD-OE2 3.33Å; P869-E872 HydrophobicContact CG-CG 4.35Å; P869-E872 PolarHBondContact O-N 3.2Å; P869-E872 VanDerWaalsContact O-N 3.14Å; E872-T874 PolarHBondContact O-N 3.17Å; E872-K875 PolarHBondContact O-N 2.95Å; E872-L876 VanDerWaalsContact O-CB 3.3Å; E872-L876 WeakPolarHBondContact O-CB 3.11Å; E872-L876 PolarHBondContact O-N 3.46Å
873L89.5Confident84Confident3 Ų359 Ų592%0.01632%0.321CS..Hα-helixtrans-60.4-46.3176.9-179.156.9000111.6L837 A838 C841 I864 L868 P869 L876 I877L837-L873 HydrophobicContact CD2-CD2 4.14Å; L837-L873 HydrophobicContact CD2-CG 4.23Å; L837-L873 HydrophobicContact CG-CD2 3.81Å; L837-L873 HydrophobicContact CG-CG 4.41Å; A838-L873 HydrophobicContact CB-CD2 4.42Å; C841-L873 HydrophobicContact CB-CD2 3.82Å; I864-L873 HydrophobicContact CD1-CD1 3.6Å; L868-L873 HydrophobicContact CB-CB 4.12Å; L868-L873 HydrophobicContact CD1-CD1 4.45Å; P869-L873 PolarHBondContact O-N 3.28Å; L873-L876 PolarHBondContact O-N 3.49Å; L873-I877 HydrophobicContact CD1-CD1 4.14Å; L873-I877 HydrophobicContact CG-CD1 4.15Å; L873-I877 WeakPolarHBondContact O-CG1 3.36Å; L873-I877 PolarHBondContact O-N 2.88Å
874T88.5Confident83Confident19 Ų1957.9 Ų57.912%0.11731%0.314CS..Hα-helixtrans-62.5-48.7178.7-56.70000110.3K833 P870 E871 E872 L876 I877 Y878K833-T874 HydrophobicContact CB-CG2 4.43Å; P870-T874 WeakPolarHBondContact O-CB 3.38Å; P870-T874 PolarHBondContact O-N 3.44Å; P870-T874 VanDerWaalsContact O-N 3.1Å; P870-T874 PolarHBondContact O-OG1 3.3Å; E871-T874 PolarHBondContact O-N 3.29Å; E872-T874 PolarHBondContact O-N 3.17Å; T874-L876 VanDerWaalsContact C-N 3.33Å; T874-L876 PolarHBondContact O-N 3.42Å; T874-I877 PolarHBondContact O-N 3.36Å; T874-Y878 HydrophobicContact CG2-CD2 3.79Å; T874-Y878 HydrophobicContact CG2-CE2 3.7Å; T874-Y878 VanDerWaalsContact O-CD2 3.31Å; T874-Y878 WeakPolarHBondContact O-CD2 3.29Å; T874-Y878 PolarHBondContact O-N 3.48Å; T874-Y878 VanDerWaalsContact O-N 3.08Å
875K89.6Confident82.5Confident136 Ų13659.7 Ų59.759%0.59132%0.323SS*.Hα-helixtrans-56.2-46.9177.3-178.7178.8172.7-177.30111.7E871 E872 I877 Y878 E879E871-K875 WeakPolarHBondContact O-CB 3.41Å; E871-K875 PolarHBondContact O-N 2.96Å; E872-K875 PolarHBondContact O-N 2.95Å; K875-I877 PolarHBondContact O-N 3.11Å; K875-Y878 PolarHBondContact O-N 2.98Å; K875-E879 WeakPolarHBondContact CE-OE1 3.4Å; K875-E879 HydrophobicContact CG-CG 4.45Å; K875-E879 WeakPolarHBondContact CG-OE1 3.41Å; K875-E879 WeakPolarHBondContact O-CB 3.33Å; K875-E879 WeakPolarHBondContact O-CG 3.18Å; K875-E879 PolarHBondContact O-N 3.01Å
876L91.5Very high82.5Confident35 Ų3557.2 Ų57.218%0.18331%0.306CS..Hα-helixtrans-60.4-42.2179-173.1159.7000112V853 K862 I864 L868 E872 L873 T874 E879 A880V853-L876 HydrophobicContact CG2-CD2 3.23Å; K862-L876 HydrophobicContact CB-CD2 3.75Å; K862-L876 HydrophobicContact CB-CG 4.3Å; K862-L876 HydrophobicContact CG-CD2 4.37Å; I864-L876 HydrophobicContact CD1-CD2 4.13Å; I864-L876 HydrophobicContact CG1-CD1 4.32Å; I864-L876 HydrophobicContact CG1-CD2 4.09Å; L868-L876 HydrophobicContact CD1-CD1 3.78Å; E872-L876 VanDerWaalsContact O-CB 3.3Å; E872-L876 WeakPolarHBondContact O-CB 3.11Å; E872-L876 PolarHBondContact O-N 3.46Å; L873-L876 PolarHBondContact O-N 3.49Å; T874-L876 VanDerWaalsContact C-N 3.33Å; T874-L876 PolarHBondContact O-N 3.42Å; L876-E879 PolarHBondContact O-N 3.46Å; L876-A880 WeakPolarHBondContact O-CB 3.43Å; L876-A880 PolarHBondContact O-N 3.02Å
877I91.4Very high82.9Confident1 Ų155 Ų551%0.00529%0.291CS..Hα-helixtrans-63.9-46.1177.5-70.4165.7000111.5L837 V853 L873 T874 K875 A880 S881 A888 T891 Q892L837-I877 HydrophobicContact CD2-CD1 3.79Å; V853-I877 HydrophobicContact CG1-CG1 4.22Å; V853-I877 HydrophobicContact CG2-CG1 4.39Å; L873-I877 HydrophobicContact CD1-CD1 4.14Å; L873-I877 HydrophobicContact CG-CD1 4.15Å; L873-I877 WeakPolarHBondContact O-CG1 3.36Å; L873-I877 PolarHBondContact O-N 2.88Å; T874-I877 PolarHBondContact O-N 3.36Å; K875-I877 PolarHBondContact O-N 3.11Å; I877-A880 PolarHBondContact O-N 3.28Å; I877-S881 WeakPolarHBondContact O-CB 3.45Å; I877-S881 PolarHBondContact O-N 2.97Å; I877-S881 PolarHBondContact O-OG 3.39Å; I877-A888 HydrophobicContact CG2-CB 4.13Å; I877-A888 WeakPolarHBondContact CG2-O 3.24Å; I877-T891 HydrophobicContact CG1-CG2 4.46Å; I877-T891 HydrophobicContact CG2-CG2 3.95Å; I877-Q892 HydrophobicContact CD1-CG 4.08Å; I877-Q892 HydrophobicContact CG2-CG 4.34Å
878Y88.4Confident83.4Confident23 Ų2353.5 Ų53.59%0.0928%0.281CS..Hα-helixtrans-65.4-39177.6-82.7-82.4000111.7R831 K832 T874 K875 S881 G882 A888R831-Y878 WeakPolarHBondContact CA-OH 3.46Å; R831-Y878 HydrophobicContact CG-CE1 4.42Å; K832-Y878 PolarHBondContact O-OH 2.93Å; T874-Y878 HydrophobicContact CG2-CD2 3.79Å; T874-Y878 HydrophobicContact CG2-CE2 3.7Å; T874-Y878 VanDerWaalsContact O-CD2 3.31Å; T874-Y878 WeakPolarHBondContact O-CD2 3.29Å; T874-Y878 PolarHBondContact O-N 3.48Å; T874-Y878 VanDerWaalsContact O-N 3.08Å; K875-Y878 PolarHBondContact O-N 2.98Å; Y878-S881 PolarHBondContact O-N 3.38Å; Y878-G882 PolarHBondContact O-N 3.47Å; Y878-A888 HydrophobicContact CD1-CB 3.56Å; Y878-A888 HydrophobicContact CD2-CB 4.49Å; Y878-A888 HydrophobicContact CE1-CB 3.63Å; Y878-A888 HydrophobicContact CG-CB 4.01Å
879E88.3Confident83.9Confident117 Ų11751.6 Ų51.655%0.54727%0.271SS..Hα-helixtrans-63.9-44.4175.2-74.7176.1-177.300112.4K875 L876 S881 G882K875-E879 WeakPolarHBondContact CE-OE1 3.4Å; K875-E879 HydrophobicContact CG-CG 4.45Å; K875-E879 WeakPolarHBondContact CG-OE1 3.41Å; K875-E879 WeakPolarHBondContact O-CB 3.33Å; K875-E879 WeakPolarHBondContact O-CG 3.18Å; K875-E879 PolarHBondContact O-N 3.01Å; L876-E879 PolarHBondContact O-N 3.46Å; E879-S881 VanDerWaalsContact C-N 3.29Å; E879-S881 PolarHBondContact O-N 2.81Å; E879-G882 PolarHBondContact O-N 3.01Å
880A87.3Confident84.6Confident9 Ų949.5 Ų49.57%0.07426%0.257CS..Hα-helixtrans-68-28.3178.900000113.2V853 K862 L876 I877 G882V853-A880 HydrophobicContact CB-CB 4.35Å; V853-A880 HydrophobicContact CG2-CB 3.71Å; K862-A880 HydrophobicContact CB-CB 4.36Å; K862-A880 HydrophobicContact CG-CB 3.89Å; L876-A880 WeakPolarHBondContact O-CB 3.43Å; L876-A880 PolarHBondContact O-N 3.02Å; I877-A880 PolarHBondContact O-N 3.28Å; A880-G882 VanDerWaalsContact C-N 3.28Å; A880-G882 PolarHBondContact O-N 3.36Å
881S82.4Confident85.2Confident16 Ų1647.1 Ų47.111%0.11224%0.242CC..Hα-helixtrans-78.8-11.7178-54.40000112.9I877 Y878 E879 Q883 D884 A888I877-S881 WeakPolarHBondContact O-CB 3.45Å; I877-S881 PolarHBondContact O-N 2.97Å; I877-S881 PolarHBondContact O-OG 3.39Å; Y878-S881 PolarHBondContact O-N 3.38Å; E879-S881 VanDerWaalsContact C-N 3.29Å; E879-S881 PolarHBondContact O-N 2.81Å; S881-Q883 PolarHBondContact O-N 2.95Å; S881-D884 PolarHBondContact O-N 3.37Å; S881-A888 VanDerWaalsContact OG-CA 3.3Å; S881-A888 WeakPolarHBondContact OG-CA 3.39Å; S881-A888 PolarHBondContact OG-N 3.28Å
882G75.1Confident85.8Confident55 Ų5539.1 Ų39.157%0.56720%0.204SC*.THydrogen-bonded Turntrans66.2-125.1175.700000112.8Y878 E879 A880Y878-G882 PolarHBondContact O-N 3.47Å; E879-G882 PolarHBondContact O-N 3.01Å; A880-G882 VanDerWaalsContact C-N 3.28Å; A880-G882 PolarHBondContact O-N 3.36Å
883Q66.9Low86.2Confident182 Ų18233.9 Ų33.985%0.8518%0.18SC*.THydrogen-bonded Turntrans-84.3-12-179.8-67.2-175.8-14.300113.4S881 I885S881-Q883 PolarHBondContact O-N 2.95Å; Q883-I885 PolarHBondContact O-N 3.44Å
884D68.4Low86.4Confident28 Ų2833.7 Ų33.715%0.1518%0.179CC..  trans-92.190.1-178.8-164-25.5000111.1S881 S886 I887 A888S881-D884 PolarHBondContact O-N 3.37Å; D884-S886 PolarHBondContact O-N 3.18Å; D884-S886 PolarHBondContact OD1-N 3.47Å; D884-I887 HydrophobicContact CB-CB 4.2Å; D884-I887 HydrophobicContact CB-CG1 4.13Å; D884-I887 VanDerWaalsContact CG-CG1 3.48Å; D884-I887 PolarHBondContact O-N 3.08Å; D884-I887 PolarHBondContact OD1-N 3.43Å; D884-I887 WeakPolarHBondContact OD2-CG1 3.36Å; D884-A888 PolarHBondContact O-N 3.48Å
885I79.6Confident86.8Confident43 Ų4333 Ų3322%0.22118%0.175CC..Hα-helixtrans-63.2-23.4178.359.6177.9000113.2Y825 L829 Q883 A888Y825-I885 HydrophobicContact CD2-CD1 4.14Å; Y825-I885 HydrophobicContact CD2-CG1 4.39Å; Y825-I885 HydrophobicContact CE2-CD1 3.91Å; Y825-I885 HydrophobicContact CE2-CG1 4.42Å; L829-I885 HydrophobicContact CB-CD1 4.44Å; L829-I885 HydrophobicContact CD2-CD1 3.32Å; L829-I885 HydrophobicContact CG-CD1 3.58Å; Q883-I885 PolarHBondContact O-N 3.44Å; I885-A888 WeakPolarHBondContact O-CB 3.27Å
886S83.4Confident86.9Confident14 Ų1427 Ų2710%0.09815%0.149CC..Hα-helixtrans-81-33.7-177.4-43.60000111D884 A888 V889 L890D884-S886 PolarHBondContact O-N 3.18Å; D884-S886 PolarHBondContact OD1-N 3.47Å; S886-A888 VanDerWaalsContact C-N 3.28Å; S886-A888 PolarHBondContact O-N 2.9Å; S886-V889 PolarHBondContact O-N 3.02Å; S886-L890 PolarHBondContact O-N 3.07Å
887I85.1Confident87.1Confident28 Ų2825.3 Ų25.314%0.14414%0.141CC..Hα-helixtrans-65.7-31.9171.8-68.8-66.8000111.6L730 D884 V889 L890 T891 I921L730-I887 HydrophobicContact CD1-CD1 4.38Å; L730-I887 HydrophobicContact CD2-CD1 3.91Å; L730-I887 HydrophobicContact CD2-CG1 4.4Å; D884-I887 HydrophobicContact CB-CB 4.2Å; D884-I887 HydrophobicContact CB-CG1 4.13Å; D884-I887 VanDerWaalsContact CG-CG1 3.48Å; D884-I887 PolarHBondContact O-N 3.08Å; D884-I887 PolarHBondContact OD1-N 3.43Å; D884-I887 WeakPolarHBondContact OD2-CG1 3.36Å; I887-V889 VanDerWaalsContact C-N 3.3Å; I887-V889 PolarHBondContact O-N 3.28Å; I887-L890 HydrophobicContact CD1-CD2 4.26Å; I887-L890 PolarHBondContact O-N 3.29Å; I887-T891 VanDerWaalsContact O-CB 3.29Å; I887-T891 WeakPolarHBondContact O-CB 3.38Å; I887-T891 PolarHBondContact O-N 3.45Å; I887-T891 PolarHBondContact O-OG1 3.2Å; I887-I921 HydrophobicContact CD1-CG2 4.46Å
888A89.1Confident87.2Confident0 Ų025.3 Ų25.30%014%0.14CC..Hα-helixtrans-60.4-42.5172.400000111.4I877 Y878 S881 D884 I885 S886 T891 Q892I877-A888 HydrophobicContact CG2-CB 4.13Å; I877-A888 WeakPolarHBondContact CG2-O 3.24Å; Y878-A888 HydrophobicContact CD1-CB 3.56Å; Y878-A888 HydrophobicContact CD2-CB 4.49Å; Y878-A888 HydrophobicContact CE1-CB 3.63Å; Y878-A888 HydrophobicContact CG-CB 4.01Å; S881-A888 VanDerWaalsContact OG-CA 3.3Å; S881-A888 WeakPolarHBondContact OG-CA 3.39Å; S881-A888 PolarHBondContact OG-N 3.28Å; D884-A888 PolarHBondContact O-N 3.48Å; I885-A888 WeakPolarHBondContact O-CB 3.27Å; S886-A888 VanDerWaalsContact C-N 3.28Å; S886-A888 PolarHBondContact O-N 2.9Å; A888-T891 PolarHBondContact O-N 3.39Å; A888-Q892 WeakPolarHBondContact O-CG 3.33Å; A888-Q892 PolarHBondContact O-N 3.28Å
889V91.4Very high87.4Confident0 Ų024.4 Ų24.40%014%0.138CC..Hα-helixtrans-68.6-44.8177.3-1760000111.2F530 Y531 R824 S886 I887 T891 Q892 E893F530-V889 HydrophobicContact CE2-CG1 4.35Å; F530-V889 HydrophobicContact CZ-CG1 3.88Å; Y531-V889 HydrophobicContact CE1-CG1 3.9Å; Y531-V889 WeakPolarHBondContact OH-CG1 3.4Å; R824-V889 HydrophobicContact CG-CG1 4.42Å; S886-V889 PolarHBondContact O-N 3.02Å; I887-V889 VanDerWaalsContact C-N 3.3Å; I887-V889 PolarHBondContact O-N 3.28Å; V889-T891 VanDerWaalsContact C-N 3.29Å; V889-T891 PolarHBondContact O-N 2.74Å; V889-Q892 WeakPolarHBondContact O-CB 3.3Å; V889-Q892 PolarHBondContact O-N 2.95Å; V889-Q892 VanDerWaalsContact O-N 3.14Å; V889-E893 PolarHBondContact O-N 2.96Å; V889-E893 VanDerWaalsContact O-N 3.08Å
890L92.1Very high87.4Confident0 Ų019.7 Ų19.70%012%0.116CC..Hα-helixtrans-61.3-38.4175.7-177.561.7000111.8S886 I887 Q892 E893 I894 I921 L943 M944 M951S886-L890 PolarHBondContact O-N 3.07Å; I887-L890 HydrophobicContact CD1-CD2 4.26Å; I887-L890 PolarHBondContact O-N 3.29Å; L890-Q892 VanDerWaalsContact C-N 3.3Å; L890-Q892 PolarHBondContact O-N 3.07Å; L890-E893 WeakPolarHBondContact O-CB 3.29Å; L890-E893 PolarHBondContact O-N 2.69Å; L890-I894 HydrophobicContact CD1-CD1 4.47Å; L890-I894 HydrophobicContact CD1-CG1 4.31Å; L890-I894 HydrophobicContact CG-CG1 4.35Å; L890-I894 WeakPolarHBondContact O-CG1 3.05Å; L890-I894 PolarHBondContact O-N 3.15Å; L890-I921 HydrophobicContact CD2-CD1 4.22Å; L890-I921 HydrophobicContact CD2-CG1 4.34Å; L890-I921 HydrophobicContact CD2-CG2 3.97Å; L890-I921 HydrophobicContact CG-CD1 4.19Å; L890-L943 HydrophobicContact CD2-CD2 4.22Å; L890-M944 HydrophobicContact CD2-SD 4.01Å; L890-M951 HydrophobicContact CD1-CG 4.1Å; L890-M951 HydrophobicContact CD1-SD 3.85Å
891T93.6Very high87.6Confident2 Ų219.9 Ų19.91%0.01212%0.115CC..Hα-helixtrans-59.2-42.8175.2-62.50000110.9V853 I877 I887 A888 V889 I894 V895 I917V853-T891 HydrophobicContact CB-CG2 4.09Å; V853-T891 HydrophobicContact CG1-CG2 3.66Å; I877-T891 HydrophobicContact CG1-CG2 4.46Å; I877-T891 HydrophobicContact CG2-CG2 3.95Å; I887-T891 VanDerWaalsContact O-CB 3.29Å; I887-T891 WeakPolarHBondContact O-CB 3.38Å; I887-T891 PolarHBondContact O-N 3.45Å; I887-T891 PolarHBondContact O-OG1 3.2Å; A888-T891 PolarHBondContact O-N 3.39Å; V889-T891 VanDerWaalsContact C-N 3.29Å; V889-T891 PolarHBondContact O-N 2.74Å; T891-I894 PolarHBondContact O-N 2.91Å; T891-V895 VanDerWaalsContact O-CG2 3.31Å; T891-V895 WeakPolarHBondContact O-CG2 3.32Å; T891-V895 PolarHBondContact O-N 3.47Å; T891-V895 VanDerWaalsContact O-N 3.07Å; T891-I917 HydrophobicContact CG2-CB 4.5Å; T891-I917 HydrophobicContact CG2-CG2 3.9Å
892Q94.3Very high87.8Confident0 Ų019.2 Ų19.20%011%0.11CC..Hα-helixtrans-62.3-43.9174.9-64.6-179.960.500111.8K832 V834 L837 I877 A888 V889 L890 V895 V896K832-Q892 PolarHBondContact O-NE2 2.73Å; V834-Q892 HydrophobicContact CG2-CB 3.82Å; L837-Q892 HydrophobicContact CD1-CB 4.06Å; L837-Q892 HydrophobicContact CD1-CG 4.23Å; L837-Q892 HydrophobicContact CD2-CB 4.38Å; L837-Q892 HydrophobicContact CD2-CG 3.73Å; I877-Q892 HydrophobicContact CD1-CG 4.08Å; I877-Q892 HydrophobicContact CG2-CG 4.34Å; A888-Q892 WeakPolarHBondContact O-CG 3.33Å; A888-Q892 PolarHBondContact O-N 3.28Å; V889-Q892 WeakPolarHBondContact O-CB 3.3Å; V889-Q892 PolarHBondContact O-N 2.95Å; V889-Q892 VanDerWaalsContact O-N 3.14Å; L890-Q892 VanDerWaalsContact C-N 3.3Å; L890-Q892 PolarHBondContact O-N 3.07Å; Q892-V895 PolarHBondContact O-N 2.61Å; Q892-V896 WeakPolarHBondContact O-CG2 3.43Å; Q892-V896 PolarHBondContact O-N 3.14Å; Q892-V896 VanDerWaalsContact O-N 3.15Å
893E93.9Very high88Confident0 Ų020.6 Ų20.60%010%0.098CC..Hα-helixtrans-57.4-51175.1-74.3-174.4-131.800112Y531 L532 R824 V889 L890 V895 V896 Y897Y531-E893 PolarHBondContact OH-OE1 3.45Å; L532-E893 HydrophobicContact CD2-CG 4.29Å; R824-E893 IonicContact CZ-OE1 3.8Å; R824-E893 IonicContact CZ-OE2 2.73Å; R824-E893 IonicContact NE-OE1 2.95Å; R824-E893 PolarHBondContact NE-OE1 3.14Å; R824-E893 IonicContact NE-OE2 2.69Å; R824-E893 IonicContact NH2-OE1 3.87Å; R824-E893 PolarHBondContact NH2-OE1 2.72Å; R824-E893 VanDerWaalsContact NH2-OE1 3.16Å; R824-E893 IonicContact NH2-OE2 3.65Å; R824-E893 PolarHBondContact NH2-OE2 2.68Å; V889-E893 PolarHBondContact O-N 2.96Å; V889-E893 VanDerWaalsContact O-N 3.08Å; L890-E893 WeakPolarHBondContact O-CB 3.29Å; L890-E893 PolarHBondContact O-N 2.69Å; E893-V895 VanDerWaalsContact C-N 3.31Å; E893-V895 PolarHBondContact O-N 3.44Å; E893-V896 WeakPolarHBondContact O-CB 3.42Å; E893-V896 PolarHBondContact O-N 3.08Å; E893-V896 VanDerWaalsContact O-N 3.11Å; E893-Y897 HydrophobicContact CB-CD2 4.48Å; E893-Y897 HydrophobicContact CB-CE2 3.78Å; E893-Y897 WeakPolarHBondContact O-CD1 3.32Å; E893-Y897 WeakPolarHBondContact O-CD2 3.41Å; E893-Y897 PolarHBondContact O-N 3.34Å; E893-Y897 PolarHBondContact OE2-OH 3.45Å
894I95.2Very high88.7Confident0 Ų014.6 Ų14.60%08%0.08CC..Hα-helixtrans-62.1-39.8-177.2-63.1-60.4000110.8L890 T891 V896 Y897 L898 I917 I920 I921 M924 M951 L955L890-I894 HydrophobicContact CD1-CD1 4.47Å; L890-I894 HydrophobicContact CD1-CG1 4.31Å; L890-I894 HydrophobicContact CG-CG1 4.35Å; L890-I894 WeakPolarHBondContact O-CG1 3.05Å; L890-I894 PolarHBondContact O-N 3.15Å; T891-I894 PolarHBondContact O-N 2.91Å; I894-V896 VanDerWaalsContact C-N 3.34Å; I894-V896 PolarHBondContact O-N 3.25Å; I894-Y897 HydrophobicContact CD1-CD2 4.17Å; I894-Y897 PolarHBondContact O-N 3.34Å; I894-L898 HydrophobicContact CG2-CD1 3.83Å; I894-L898 HydrophobicContact CG2-CG 4.17Å; I894-L898 WeakPolarHBondContact O-CB 3.32Å; I894-L898 WeakPolarHBondContact O-CG 3.32Å; I894-L898 PolarHBondContact O-N 3.11Å; I894-I917 HydrophobicContact CB-CG2 4.09Å; I894-I917 HydrophobicContact CG2-CD1 4.45Å; I894-I917 HydrophobicContact CG2-CG2 3.88Å; I894-I920 HydrophobicContact CG2-CG2 4.45Å; I894-I921 HydrophobicContact CG1-CD1 4.4Å; I894-I921 HydrophobicContact CG1-CG1 4.13Å; I894-M924 HydrophobicContact CD1-CE 4.1Å; I894-M924 HydrophobicContact CD1-SD 4Å; I894-M951 HydrophobicContact CD1-CG 4.14Å; I894-M951 HydrophobicContact CD1-SD 4.16Å; I894-L955 HydrophobicContact CD1-CD2 4.31Å; I894-L955 HydrophobicContact CG2-CD2 4.2Å
895V95.3Very high89.4Confident5 Ų517.1 Ų17.13%0.039%0.091CC..Hα-helixtrans-59.6-44.8174.7170.80000111.2L837 A840 L844 L851 T891 Q892 E893 L898 A899 I917L837-V895 HydrophobicContact CD1-CB 4.03Å; L837-V895 HydrophobicContact CD1-CG1 3.85Å; A840-V895 HydrophobicContact CB-CG1 4.33Å; L844-V895 HydrophobicContact CD1-CG1 4.09Å; L851-V895 HydrophobicContact CD1-CG1 4.38Å; T891-V895 VanDerWaalsContact O-CG2 3.31Å; T891-V895 WeakPolarHBondContact O-CG2 3.32Å; T891-V895 PolarHBondContact O-N 3.47Å; T891-V895 VanDerWaalsContact O-N 3.07Å; Q892-V895 PolarHBondContact O-N 2.61Å; E893-V895 VanDerWaalsContact C-N 3.31Å; E893-V895 PolarHBondContact O-N 3.44Å; V895-L898 PolarHBondContact O-N 2.92Å; V895-A899 PolarHBondContact O-N 2.69Å; V895-I917 HydrophobicContact CG2-CD1 4.29Å; V895-I917 HydrophobicContact CG2-CG1 4.17Å
896V93.2Very high89.6Confident9 Ų918.3 Ų18.36%0.05510%0.102CC..Hα-helixtrans-63.3-44.6176.81750000111.1V834 V836 A840 Q892 E893 I894 L898 A899 M900V834-V896 HydrophobicContact CB-CG2 4.38Å; V834-V896 HydrophobicContact CG1-CG2 3.74Å; V836-V896 HydrophobicContact CG2-CG2 4.47Å; A840-V896 HydrophobicContact CB-CG2 4.25Å; Q892-V896 WeakPolarHBondContact O-CG2 3.43Å; Q892-V896 PolarHBondContact O-N 3.14Å; Q892-V896 VanDerWaalsContact O-N 3.15Å; E893-V896 WeakPolarHBondContact O-CB 3.42Å; E893-V896 PolarHBondContact O-N 3.08Å; E893-V896 VanDerWaalsContact O-N 3.11Å; I894-V896 VanDerWaalsContact C-N 3.34Å; I894-V896 PolarHBondContact O-N 3.25Å; V896-L898 PolarHBondContact O-N 3.27Å; V896-A899 WeakPolarHBondContact O-CB 3.26Å; V896-A899 PolarHBondContact O-N 3.18Å; V896-M900 HydrophobicContact CG1-SD 4.18Å; V896-M900 VanDerWaalsContact O-CG 3.29Å; V896-M900 WeakPolarHBondContact O-CG 3.13Å; V896-M900 PolarHBondContact O-N 3.45Å
897Y94.7Very high89.6Confident0 Ų021.4 Ų21.40%012%0.123CC..Hα-helixtrans-65.2-40179.2-56.9-22.1000112.3L532 M538 E893 I894 A899 M900 Y901 P948 M951 K952 L955L532-Y897 HydrophobicContact CD2-CE1 3.99Å; L532-Y897 WeakPolarHBondContact CD2-OH 3.45Å; M538-Y897 HydrophobicContact CE-CD1 3.86Å; M538-Y897 HydrophobicContact CE-CE1 3.46Å; M538-Y897 VanDerWaalsContact CE-CE1 3.46Å; M538-Y897 HydrophobicContact SD-CE1 4.49Å; E893-Y897 HydrophobicContact CB-CD2 4.48Å; E893-Y897 HydrophobicContact CB-CE2 3.78Å; E893-Y897 WeakPolarHBondContact O-CD1 3.32Å; E893-Y897 WeakPolarHBondContact O-CD2 3.41Å; E893-Y897 PolarHBondContact O-N 3.34Å; E893-Y897 PolarHBondContact OE2-OH 3.45Å; I894-Y897 HydrophobicContact CD1-CD2 4.17Å; I894-Y897 PolarHBondContact O-N 3.34Å; Y897-A899 VanDerWaalsContact C-N 3.32Å; Y897-A899 PolarHBondContact O-N 3.32Å; Y897-M900 HydrophobicContact CD1-SD 4.07Å; Y897-M900 WeakPolarHBondContact O-CB 3.35Å; Y897-M900 PolarHBondContact O-N 2.97Å; Y897-Y901 WeakPolarHBondContact O-CD2 3.48Å; Y897-Y901 PolarHBondContact O-N 2.88Å; Y897-P948 WeakPolarHBondContact OH-CA 3.46Å; Y897-P948 WeakPolarHBondContact OH-CB 3.35Å; Y897-M951 HydrophobicContact CD2-CG 4.42Å; Y897-M951 HydrophobicContact CE2-CB 4.07Å; Y897-M951 HydrophobicContact CE2-CG 3.76Å; Y897-K952 HydrophobicContact CD1-CB 4.21Å; Y897-K952 HydrophobicContact CD1-CD 4.29Å; Y897-K952 HydrophobicContact CD1-CG 4.39Å; Y897-K952 HydrophobicContact CD2-CB 3.9Å; Y897-K952 HydrophobicContact CE1-CB 4.43Å; Y897-K952 HydrophobicContact CE2-CB 4.14Å; Y897-K952 HydrophobicContact CG-CB 3.96Å; Y897-K952 HydrophobicContact CG-CG 4.18Å; Y897-L955 HydrophobicContact CD2-CD2 4.5Å
898L94.4Very high89.7Confident0 Ų021 Ų210%012%0.121CC..Hα-helixtrans-61.3-42.3173.8-70168.1000111L844 I894 V895 V896 Y901 V902 F909 L915 I917 I920 L955 L959L844-L898 HydrophobicContact CD1-CB 3.96Å; L844-L898 HydrophobicContact CD2-CB 3.94Å; I894-L898 HydrophobicContact CG2-CD1 3.83Å; I894-L898 HydrophobicContact CG2-CG 4.17Å; I894-L898 WeakPolarHBondContact O-CB 3.32Å; I894-L898 WeakPolarHBondContact O-CG 3.32Å; I894-L898 PolarHBondContact O-N 3.11Å; V895-L898 PolarHBondContact O-N 2.92Å; V896-L898 PolarHBondContact O-N 3.27Å; L898-Y901 PolarHBondContact O-N 3.26Å; L898-V902 PolarHBondContact O-N 3.41Å; L898-F909 HydrophobicContact CB-CE1 4.48Å; L898-F909 HydrophobicContact CB-CZ 4.43Å; L898-F909 HydrophobicContact CD2-CE1 3.78Å; L898-F909 HydrophobicContact CD2-CZ 3.95Å; L898-F909 WeakPolarHBondContact O-CZ 3.18Å; L898-L915 HydrophobicContact CD1-CD1 4.16Å; L898-I917 HydrophobicContact CD1-CD1 3.23Å; L898-I920 HydrophobicContact CD1-CD1 4.39Å; L898-L955 HydrophobicContact CD2-CD1 4.25Å; L898-L955 HydrophobicContact CD2-CD2 3.98Å; L898-L955 HydrophobicContact CD2-CG 4.43Å; L898-L955 HydrophobicContact CG-CD2 4.05Å; L898-L959 HydrophobicContact CD2-CD1 3.69Å; L898-L959 HydrophobicContact CD2-CD2 4.27Å
899A90.9Very high89.7Confident5 Ų521 Ų214%0.04112%0.121CC..Hα-helixtrans-63.4-40.8175.500000112A840 D843 L844 V895 V896 Y897 Y901 V902 R903A840-A899 HydrophobicContact CB-CB 3.54Å; A840-A899 WeakPolarHBondContact O-CB 3.12Å; D843-A899 HydrophobicContact CB-CB 4.42Å; L844-A899 HydrophobicContact CD1-CB 4.34Å; L844-A899 HydrophobicContact CG-CB 4.21Å; V895-A899 PolarHBondContact O-N 2.69Å; V896-A899 WeakPolarHBondContact O-CB 3.26Å; V896-A899 PolarHBondContact O-N 3.18Å; Y897-A899 VanDerWaalsContact C-N 3.32Å; Y897-A899 PolarHBondContact O-N 3.32Å; A899-Y901 VanDerWaalsContact C-N 3.31Å; A899-Y901 PolarHBondContact O-N 2.79Å; A899-V902 WeakPolarHBondContact O-CG1 3.35Å; A899-V902 PolarHBondContact O-N 2.83Å; A899-R903 WeakPolarHBondContact O-CG 3.3Å; A899-R903 PolarHBondContact O-N 3.26Å
900M89.3Confident89.2Confident17 Ų1723 Ų238%0.08414%0.138CC..Hα-helixtrans-59.6-42.1173.1-66.5168.777.200111.5M538 M542 I545 V896 Y897 A904 K952M538-M900 HydrophobicContact CE-CE 3.68Å; M538-M900 HydrophobicContact CE-SD 3.67Å; M542-M900 HydrophobicContact CG-CE 4.08Å; I545-M900 HydrophobicContact CD1-CB 4.34Å; I545-M900 HydrophobicContact CD1-CE 3.36Å; V896-M900 HydrophobicContact CG1-SD 4.18Å; V896-M900 VanDerWaalsContact O-CG 3.29Å; V896-M900 WeakPolarHBondContact O-CG 3.13Å; V896-M900 PolarHBondContact O-N 3.45Å; Y897-M900 HydrophobicContact CD1-SD 4.07Å; Y897-M900 WeakPolarHBondContact O-CB 3.35Å; Y897-M900 PolarHBondContact O-N 2.97Å; M900-A904 WeakPolarHBondContact O-CB 3.38Å; M900-A904 PolarHBondContact O-N 3Å; M900-A904 VanDerWaalsContact O-N 3.07Å; M900-K952 HydrophobicContact CE-CD 4.23Å; M900-K952 HydrophobicContact SD-CD 4.44Å
901Y90.6Very high88.7Confident14 Ų1426.1 Ų26.16%0.05515%0.152CC..Hα-helixtrans-73.4-37.1178.9-74.3-54.1000113.7Y897 L898 A899 R903 A904 Q905 L908 K952 L955 H956 L959Y897-Y901 WeakPolarHBondContact O-CD2 3.48Å; Y897-Y901 PolarHBondContact O-N 2.88Å; L898-Y901 PolarHBondContact O-N 3.26Å; A899-Y901 VanDerWaalsContact C-N 3.31Å; A899-Y901 PolarHBondContact O-N 2.79Å; Y901-R903 VanDerWaalsContact C-N 3.26Å; Y901-R903 PolarHBondContact O-N 3.07Å; Y901-A904 PolarHBondContact O-N 3.06Å; Y901-Q905 CarbonylContact O-C 3.54Å; Y901-Q905 VanDerWaalsContact O-C 3.23Å; Y901-Q905 WeakPolarHBondContact O-CA 3.3Å; Y901-Q905 PolarHBondContact O-N 3.39Å; Y901-L908 HydrophobicContact CD1-CD1 4.28Å; Y901-L908 HydrophobicContact CG-CD1 4.46Å; Y901-K952 HydrophobicContact CE2-CG 3.84Å; Y901-K952 WeakPolarHBondContact OH-CE 3.41Å; Y901-K952 WeakPolarHBondContact OH-CG 3.37Å; Y901-K952 PolarHBondContact OH-O 3.3Å; Y901-L955 HydrophobicContact CD2-CD2 4.39Å; Y901-L955 HydrophobicContact CE2-CD2 4.35Å; Y901-H956 AromaticContact CD1-CD2 3.94Å; Y901-H956 HydrophobicContact CE1-CB 4.12Å; Y901-H956 AromaticContact CE1-CD2 3.48Å; Y901-H956 VanDerWaalsContact CE1-CD2 3.48Å; Y901-H956 WeakPolarHBondContact CE1-CD2 3.42Å; Y901-H956 HydrophobicContact CE2-CB 4.2Å; Y901-H956 AromaticContact CZ-CD2 3.95Å; Y901-H956 WeakPolarHBondContact OH-CB 3.38Å; Y901-L959 HydrophobicContact CD2-CD1 4.32Å
902V86.8Confident88.4Confident2 Ų226 Ų261%0.01215%0.152CC..Hα-helixtrans-65.8-35.7179.483.10000110.6L844 H847 L898 A899 P906 F909L844-V902 HydrophobicContact CD2-CB 4.1Å; L844-V902 HydrophobicContact CD2-CG1 3.94Å; H847-V902 HydrophobicContact CB-CG2 3.69Å; L898-V902 PolarHBondContact O-N 3.41Å; A899-V902 WeakPolarHBondContact O-CG1 3.35Å; A899-V902 PolarHBondContact O-N 2.83Å; V902-P906 WeakPolarHBondContact O-CA 3.34Å; V902-P906 WeakPolarHBondContact O-CD 3.29Å; V902-P906 WeakPolarHBondContact O-CG 3.32Å; V902-F909 HydrophobicContact CB-CD2 4.06Å; V902-F909 HydrophobicContact CB-CE2 3.85Å; V902-F909 HydrophobicContact CB-CZ 4.19Å; V902-F909 HydrophobicContact CG2-CD2 3.92Å; V902-F909 HydrophobicContact CG2-CE2 4.24Å; V902-F909 HydrophobicContact CG2-CG 4.19Å
903R79.3Confident88.1Confident83 Ų8327 Ų2731%0.31316%0.157SC..Hα-helixtrans-67.5-50.4172.7-7616732.8170.4-7.4112.7I545 E546 D843 A899 Y901I545-R903 VanDerWaalsContact CG2-NH2 3.35Å; E546-R903 IonicContact OE1-CZ 2.79Å; E546-R903 IonicContact OE1-NH2 3.45Å; E546-R903 PolarHBondContact OE1-NH2 3.49Å; D843-R903 WeakPolarHBondContact OD2-CD 3.45Å; A899-R903 WeakPolarHBondContact O-CG 3.3Å; A899-R903 PolarHBondContact O-N 3.26Å; Y901-R903 VanDerWaalsContact C-N 3.26Å; Y901-R903 PolarHBondContact O-N 3.07Å
904A81.6Confident87.8Confident57 Ų5728 Ų2847%0.47116%0.161SC..Hα-helixtrans-81.1-33.7-172.400000113.9M900 Y901M900-A904 WeakPolarHBondContact O-CB 3.38Å; M900-A904 PolarHBondContact O-N 3Å; M900-A904 VanDerWaalsContact O-N 3.07Å; Y901-A904 PolarHBondContact O-N 3.06Å
905Q84.6Confident87.6Confident80 Ų8028 Ų2837%0.37416%0.161SC..  trans-142.766.4-175.8-61.9-176.52.400111.5Y901 S907 L908 H956Y901-Q905 CarbonylContact O-C 3.54Å; Y901-Q905 VanDerWaalsContact O-C 3.23Å; Y901-Q905 WeakPolarHBondContact O-CA 3.3Å; Y901-Q905 PolarHBondContact O-N 3.39Å; Q905-S907 PolarHBondContact O-N 3.36Å; Q905-L908 HydrophobicContact CB-CD1 3.85Å; Q905-L908 HydrophobicContact CB-CG 4.01Å; Q905-L908 WeakPolarHBondContact O-CB 3.36Å; Q905-L908 PolarHBondContact O-N 2.92Å; Q905-H956 PolarHBondContact OE1-NE2 3.41Å
906P83.5Confident87.3Confident69 Ų6928 Ų2845%0.44816%0.16SC..G310 helixtrans-53-30.9-176.8-19.822.5000114V902 L908 F909V902-P906 WeakPolarHBondContact O-CA 3.34Å; V902-P906 WeakPolarHBondContact O-CD 3.29Å; V902-P906 WeakPolarHBondContact O-CG 3.32Å; P906-L908 PolarHBondContact O-N 3.46Å; P906-L908 VanDerWaalsContact O-N 3.11Å; P906-F909 PolarHBondContact O-N 2.96Å
907S82.9Confident87.2Confident78 Ų7827.6 Ų27.655%0.54516%0.158SC..G310 helixtrans-59.3-18.7179.673.50000115.5Q905 F909 K994Q905-S907 PolarHBondContact O-N 3.36Å; S907-F909 VanDerWaalsContact C-N 3.25Å; S907-F909 PolarHBondContact O-N 3.44Å; S907-K994 PolarHBondContact O-NZ 3.19Å
908L86.4Confident86.9Confident20 Ų2027.9 Ų27.911%0.10516%0.16CC..G310 helixtrans-66.5-28.2172.9-69177.6000112.4Y901 Q905 P906 R1079Y901-L908 HydrophobicContact CD1-CD1 4.28Å; Y901-L908 HydrophobicContact CG-CD1 4.46Å; Q905-L908 HydrophobicContact CB-CD1 3.85Å; Q905-L908 HydrophobicContact CB-CG 4.01Å; Q905-L908 WeakPolarHBondContact O-CB 3.36Å; Q905-L908 PolarHBondContact O-N 2.92Å; P906-L908 PolarHBondContact O-N 3.46Å; P906-L908 VanDerWaalsContact O-N 3.11Å; L908-R1079 PolarHBondContact O-NH2 2.77Å
909F89.1Confident86.5Confident1 Ų128 Ų280%0.00416%0.161CC..G310 helixtrans-101.112.2-175.7-58.7-98.1000113.1K849 L898 V902 P906 S907 E911 M912 L915 L959K849-F909 HydrophobicContact CD-CB 4.27Å; K849-F909 PolarHBondContact NZ-O 2.85Å; L898-F909 HydrophobicContact CB-CE1 4.48Å; L898-F909 HydrophobicContact CB-CZ 4.43Å; L898-F909 HydrophobicContact CD2-CE1 3.78Å; L898-F909 HydrophobicContact CD2-CZ 3.95Å; L898-F909 WeakPolarHBondContact O-CZ 3.18Å; V902-F909 HydrophobicContact CB-CD2 4.06Å; V902-F909 HydrophobicContact CB-CE2 3.85Å; V902-F909 HydrophobicContact CB-CZ 4.19Å; V902-F909 HydrophobicContact CG2-CD2 3.92Å; V902-F909 HydrophobicContact CG2-CE2 4.24Å; V902-F909 HydrophobicContact CG2-CG 4.19Å; P906-F909 PolarHBondContact O-N 2.96Å; S907-F909 VanDerWaalsContact C-N 3.25Å; S907-F909 PolarHBondContact O-N 3.44Å; F909-E911 PolarHBondContact O-N 3.15Å; F909-M912 HydrophobicContact CD1-CE 4.37Å; F909-M912 PolarHBondContact O-N 3.34Å; F909-L915 HydrophobicContact CD1-CD1 3.98Å; F909-L915 HydrophobicContact CD1-CD2 3.99Å; F909-L915 HydrophobicContact CE1-CD1 3.75Å; F909-L915 HydrophobicContact CE1-CD2 4.28Å; F909-L959 HydrophobicContact CE1-CD1 4.46Å; F909-L959 HydrophobicContact CZ-CD1 4.06Å
910A81.6Confident86.5Confident42 Ų4227.8 Ų27.835%0.34716%0.159SC..THydrogen-bonded Turntrans-58.2135.8176.600000110.5M912A910-M912 PolarHBondContact O-N 2.86Å
911E81.8Confident86.5Confident65 Ų6527.2 Ų27.230%0.30416%0.157SC..THydrogen-bonded Turntrans56.926-177.8-48.8-56.2123.900115.6F909 V1080 V1082F909-E911 PolarHBondContact O-N 3.15Å; E911-V1080 HydrophobicContact CB-CG2 4.46Å; E911-V1080 WeakPolarHBondContact CB-O 3.27Å; E911-V1080 PolarHBondContact O-N 2.86Å; E911-V1080 VanDerWaalsContact O-N 3.15Å; E911-V1082 HydrophobicContact CG-CB 4.46Å; E911-V1082 HydrophobicContact CG-CG2 3.71Å; E911-V1082 WeakPolarHBondContact OE2-CA 3.34Å
912M88.1Confident86.2Confident0 Ų029.2 Ų29.20%017%0.167CC..BIsolated β-bridgetrans-115.1115.6171.2-63.9164.455.700107.9K849 F909 A910 L915 L959 I1077 R1079K849-M912 WeakPolarHBondContact CD-O 3.17Å; K849-M912 WeakPolarHBondContact CE-O 3.45Å; K849-M912 PolarHBondContact NZ-O 2.46Å; F909-M912 HydrophobicContact CD1-CE 4.37Å; F909-M912 PolarHBondContact O-N 3.34Å; A910-M912 PolarHBondContact O-N 2.86Å; M912-L915 HydrophobicContact CB-CD2 4.39Å; M912-L915 HydrophobicContact CE-CD2 3.33Å; M912-L959 HydrophobicContact CE-CD2 4.2Å; M912-I1077 HydrophobicContact CE-CB 3.75Å; M912-I1077 HydrophobicContact CE-CD1 4.41Å; M912-I1077 HydrophobicContact CE-CG1 4.16Å; M912-I1077 HydrophobicContact SD-CD1 4.22Å; M912-I1077 HydrophobicContact SD-CG1 4.3Å; M912-R1079 HydrophobicContact CG-CB 3.97Å; M912-R1079 HydrophobicContact CG-CG 4.24Å
913L86Confident86.1Confident21 Ų2129.8 Ų29.811%0.1117%0.17CC..  trans-96.2-23.3177.2-68.2-175000113.1Q850 Y1085 A1121 E1125Q850-L913 PolarHBondContact N-O 3.48Å; L913-Y1085 HydrophobicContact CD1-CD2 4.14Å; L913-Y1085 HydrophobicContact CD1-CE1 4.23Å; L913-Y1085 HydrophobicContact CD1-CE2 3.41Å; L913-Y1085 VanDerWaalsContact CD1-CE2 3.41Å; L913-Y1085 VanDerWaalsContact CD1-CZ 3.46Å; L913-Y1085 WeakPolarHBondContact CD1-OH 3.49Å; L913-Y1085 HydrophobicContact CG-CE2 3.98Å; L913-A1121 HydrophobicContact CD1-CB 3.53Å; L913-E1125 HydrophobicContact CB-CG 4.46Å
914R88.8Confident86.5Confident20 Ų2025.9 Ų25.98%0.07516%0.155CC..EExtended strand (participates in β ladder)trans-136.8135.7-179.4-176.6178.3-74.6-144-1.5110.9Q850 T852 T863 R916 E1125 N1129Q850-R914 HydrophobicContact CB-CB 4.23Å; Q850-R914 HydrophobicContact CB-CG 4.14Å; Q850-R914 CarbonylContact O-C 3.54Å; Q850-R914 WeakPolarHBondContact O-CA 3.13Å; T852-R914 HydrophobicContact CG2-CG 4.16Å; T863-R914 PolarHBondContact OG1-NH1 2.77Å; R914-R916 HydrophobicContact CG-CG 4.4Å; R914-E1125 HydrophobicContact CB-CG 4.47Å; R914-N1129 VanDerWaalsContact CD-ND2 3.3Å; R914-N1129 WeakPolarHBondContact CD-ND2 3.49Å; R914-N1129 PolarHBondContact NE-ND2 2.78Å
915L90.8Very high86.8Confident0 Ų023.3 Ų23.30%013%0.134CC..EExtended strand (participates in β ladder)trans-108.8111.8177.1-50.4177.7000108.5L844 K849 Q850 L851 T852 L898 F909 M912 I917 I920L844-L915 HydrophobicContact CD2-CD1 3.91Å; K849-L915 HydrophobicContact CB-CD1 3.98Å; K849-L915 HydrophobicContact CB-CG 4.17Å; Q850-L915 PolarHBondContact O-N 3Å; L851-L915 WeakPolarHBondContact CA-O 3.42Å; L851-L915 HydrophobicContact CD2-CB 3.84Å; L851-L915 HydrophobicContact CD2-CD1 3.83Å; L851-L915 HydrophobicContact CD2-CG 4.14Å; T852-L915 PolarHBondContact N-O 3.34Å; L898-L915 HydrophobicContact CD1-CD1 4.16Å; F909-L915 HydrophobicContact CD1-CD1 3.98Å; F909-L915 HydrophobicContact CD1-CD2 3.99Å; F909-L915 HydrophobicContact CE1-CD1 3.75Å; F909-L915 HydrophobicContact CE1-CD2 4.28Å; M912-L915 HydrophobicContact CB-CD2 4.39Å; M912-L915 HydrophobicContact CE-CD2 3.33Å; L915-I917 HydrophobicContact CB-CD1 4.25Å; L915-I917 PolarHBondContact O-N 3.39Å; L915-I920 HydrophobicContact CB-CD1 4.37Å
916R89.4Confident86.6Confident5 Ų520.9 Ų20.92%0.01913%0.125CC..EExtended strand (participates in β ladder)trans-91.891.8-179.5-59.1-179.674.9175.214.5109.5T852 P856 E861 R914 G918 L919 I920 N1129T852-R916 VanDerWaalsContact OG1-CA 3.26Å; T852-R916 WeakPolarHBondContact OG1-CA 3.43Å; T852-R916 WeakPolarHBondContact OG1-CB 3.45Å; T852-R916 WeakPolarHBondContact OG1-CG 3.48Å; P856-R916 VanDerWaalsContact CB-NH2 3.32Å; E861-R916 IonicContact OE1-CZ 2.84Å; E861-R916 IonicContact OE1-NE 2.92Å; E861-R916 PolarHBondContact OE1-NE 3.44Å; E861-R916 IonicContact OE1-NH2 3.85Å; E861-R916 PolarHBondContact OE1-NH2 3.24Å; E861-R916 IonicContact OE2-CZ 3.31Å; E861-R916 IonicContact OE2-NE 2.79Å; E861-R916 IonicContact OE2-NH2 2.8Å; E861-R916 PolarHBondContact OE2-NH2 2.82Å; R914-R916 HydrophobicContact CG-CG 4.4Å; R916-G918 VanDerWaalsContact C-N 3.3Å; R916-G918 PolarHBondContact O-N 3.27Å; R916-L919 HydrophobicContact CB-CB 4.09Å; R916-L919 HydrophobicContact CB-CD1 4.17Å; R916-L919 HydrophobicContact CB-CG 4.22Å; R916-L919 PolarHBondContact O-N 2.93Å; R916-L919 VanDerWaalsContact O-N 3.07Å; R916-I920 WeakPolarHBondContact O-CG1 3.45Å; R916-I920 PolarHBondContact O-N 3.31Å; R916-N1129 PolarHBondContact NH1-O 3.27Å; R916-N1129 PolarHBondContact NH2-O 2.83Å
917I91.8Very high86.4Confident0 Ų018.1 Ų18.10%011%0.106CC..Hα-helixtrans-59.8-40.7-167.9-52.8-56.9000111.5T852 V853 T891 I894 V895 L898 L915 L919 I920 I921T852-I917 VanDerWaalsContact O-CB 3.3Å; T852-I917 WeakPolarHBondContact O-CB 3.43Å; T852-I917 VanDerWaalsContact O-CG1 3.24Å; T852-I917 WeakPolarHBondContact O-CG1 3.4Å; T852-I917 PolarHBondContact O-N 2.71Å; V853-I917 HydrophobicContact CG1-CG1 4.35Å; T891-I917 HydrophobicContact CG2-CB 4.5Å; T891-I917 HydrophobicContact CG2-CG2 3.9Å; I894-I917 HydrophobicContact CB-CG2 4.09Å; I894-I917 HydrophobicContact CG2-CD1 4.45Å; I894-I917 HydrophobicContact CG2-CG2 3.88Å; V895-I917 HydrophobicContact CG2-CD1 4.29Å; V895-I917 HydrophobicContact CG2-CG1 4.17Å; L898-I917 HydrophobicContact CD1-CD1 3.23Å; L915-I917 HydrophobicContact CB-CD1 4.25Å; L915-I917 PolarHBondContact O-N 3.39Å; I917-L919 PolarHBondContact O-N 3.17Å; I917-I920 HydrophobicContact CD1-CD1 4.43Å; I917-I920 PolarHBondContact O-N 2.98Å; I917-I921 HydrophobicContact CG2-CD1 4.17Å; I917-I921 WeakPolarHBondContact O-CG1 3.45Å; I917-I921 PolarHBondContact O-N 3.26Å
918G88.3Confident86.4Confident6 Ų614.4 Ų14.46%0.0628%0.08CC..Hα-helixtrans-61.4-42.7175.800000113.4G854 L855 R916 I921 Q922G854-G918 WeakPolarHBondContact O-CA 3.31Å; L855-G918 WeakPolarHBondContact CD2-O 3.5Å; R916-G918 VanDerWaalsContact C-N 3.3Å; R916-G918 PolarHBondContact O-N 3.27Å; G918-I921 PolarHBondContact O-N 2.97Å; G918-Q922 PolarHBondContact O-N 3.26Å
919L86.1Confident86.2Confident4 Ų414 Ų142%0.0218%0.08CC..Hα-helixtrans-70.7-31.8177.1-68.2-173.7000112.5L855 P856 R916 I917 Q922 V923 A1076L855-L919 HydrophobicContact CD2-CD2 4.45Å; P856-L919 HydrophobicContact CG-CD1 4.26Å; P856-L919 HydrophobicContact CG-CD2 3.69Å; P856-L919 HydrophobicContact CG-CG 4.08Å; R916-L919 HydrophobicContact CB-CB 4.09Å; R916-L919 HydrophobicContact CB-CD1 4.17Å; R916-L919 HydrophobicContact CB-CG 4.22Å; R916-L919 PolarHBondContact O-N 2.93Å; R916-L919 VanDerWaalsContact O-N 3.07Å; I917-L919 PolarHBondContact O-N 3.17Å; L919-Q922 WeakPolarHBondContact O-CB 3.44Å; L919-Q922 PolarHBondContact O-N 3.36Å; L919-V923 WeakPolarHBondContact O-CB 3.3Å; L919-V923 WeakPolarHBondContact O-CG2 3.33Å; L919-V923 PolarHBondContact O-N 2.81Å; L919-A1076 HydrophobicContact CB-CB 4.15Å
920I89.6Confident85.7Confident0 Ų020.1 Ų20.10%010%0.102CC..Hα-helixtrans-62.8-46.9172.5-68.7168.1000109.8I894 L898 L915 R916 I917 Q922 V923 M924 L955 I1077I894-I920 HydrophobicContact CG2-CG2 4.45Å; L898-I920 HydrophobicContact CD1-CD1 4.39Å; L915-I920 HydrophobicContact CB-CD1 4.37Å; R916-I920 WeakPolarHBondContact O-CG1 3.45Å; R916-I920 PolarHBondContact O-N 3.31Å; I917-I920 HydrophobicContact CD1-CD1 4.43Å; I917-I920 PolarHBondContact O-N 2.98Å; I920-Q922 VanDerWaalsContact C-N 3.29Å; I920-Q922 PolarHBondContact O-N 2.96Å; I920-V923 PolarHBondContact O-N 3.33Å; I920-M924 HydrophobicContact CG2-SD 4.06Å; I920-M924 VanDerWaalsContact O-CG 3.28Å; I920-M924 WeakPolarHBondContact O-CG 3.48Å; I920-M924 PolarHBondContact O-N 2.86Å; I920-L955 HydrophobicContact CG2-CD1 3.48Å; I920-L955 VanDerWaalsContact CG2-CD1 3.48Å; I920-I1077 HydrophobicContact CG1-CG2 4.25Å
921I89.4Confident85.6Confident5 Ų519.5 Ų19.53%0.02610%0.096CC..Hα-helixtrans-60.1-41.5175-66.6167.7000110.6I887 L890 I894 I917 G918 V923 M924 A925 L943I887-I921 HydrophobicContact CD1-CG2 4.46Å; L890-I921 HydrophobicContact CD2-CD1 4.22Å; L890-I921 HydrophobicContact CD2-CG1 4.34Å; L890-I921 HydrophobicContact CD2-CG2 3.97Å; L890-I921 HydrophobicContact CG-CD1 4.19Å; I894-I921 HydrophobicContact CG1-CD1 4.4Å; I894-I921 HydrophobicContact CG1-CG1 4.13Å; I917-I921 HydrophobicContact CG2-CD1 4.17Å; I917-I921 WeakPolarHBondContact O-CG1 3.45Å; I917-I921 PolarHBondContact O-N 3.26Å; G918-I921 PolarHBondContact O-N 2.97Å; I921-V923 PolarHBondContact O-N 3.16Å; I921-M924 PolarHBondContact O-N 3.45Å; I921-A925 PolarHBondContact O-N 3.37Å; I921-L943 HydrophobicContact CG2-CD2 4.1Å
922Q85.3Confident85.5Confident56 Ų5617.5 Ų17.526%0.2629%0.087SC..Hα-helixtrans-56.9-48.5175.2-179.7158.78.500112.8L732 L855 G918 L919 I920 A925 T926L732-Q922 HydrophobicContact CB-CG 3.82Å; L732-Q922 HydrophobicContact CD2-CB 3.43Å; L732-Q922 VanDerWaalsContact CD2-CB 3.43Å; L732-Q922 HydrophobicContact CD2-CG 3.41Å; L732-Q922 VanDerWaalsContact CD2-CG 3.41Å; L732-Q922 HydrophobicContact CG-CB 4.32Å; L732-Q922 HydrophobicContact CG-CG 4.08Å; L732-Q922 PolarHBondContact O-NE2 3.29Å; L855-Q922 HydrophobicContact CD2-CB 4.47Å; G918-Q922 PolarHBondContact O-N 3.26Å; L919-Q922 WeakPolarHBondContact O-CB 3.44Å; L919-Q922 PolarHBondContact O-N 3.36Å; I920-Q922 VanDerWaalsContact C-N 3.29Å; I920-Q922 PolarHBondContact O-N 2.96Å; Q922-A925 PolarHBondContact O-N 3.23Å; Q922-T926 WeakPolarHBondContact O-CB 3.34Å; Q922-T926 PolarHBondContact O-N 3.47Å; Q922-T926 PolarHBondContact O-OG1 3.01Å
923V84.9Confident85.1Confident14 Ų1424.8 Ų24.89%0.08513%0.126CC..Hα-helixtrans-63-42.7177.6160.80000111.2L919 I920 I921 A925 T926 E927 I958 L1073 A1076L919-V923 WeakPolarHBondContact O-CB 3.3Å; L919-V923 WeakPolarHBondContact O-CG2 3.33Å; L919-V923 PolarHBondContact O-N 2.81Å; I920-V923 PolarHBondContact O-N 3.33Å; I921-V923 PolarHBondContact O-N 3.16Å; V923-A925 PolarHBondContact O-N 3.08Å; V923-T926 PolarHBondContact O-N 3.05Å; V923-E927 HydrophobicContact CG1-CG 4.4Å; V923-E927 WeakPolarHBondContact O-CB 3.23Å; V923-E927 WeakPolarHBondContact O-CG 3.38Å; V923-E927 PolarHBondContact O-N 3.03Å; V923-I958 HydrophobicContact CG1-CD1 3.85Å; V923-I958 HydrophobicContact CG1-CG1 4.31Å; V923-I958 HydrophobicContact CG1-CG2 3.78Å; V923-L1073 HydrophobicContact CG1-CD2 3.23Å; V923-A1076 HydrophobicContact CG2-CB 3.51Å
924M87.4Confident84.8Confident1 Ų124.9 Ų24.91%0.00513%0.128CC..Hα-helixtrans-59.6-46.3177.3-70171.575.400111.5I894 I920 I921 E927 L928 L943 M951 L954 L955 I958I894-M924 HydrophobicContact CD1-CE 4.1Å; I894-M924 HydrophobicContact CD1-SD 4Å; I920-M924 HydrophobicContact CG2-SD 4.06Å; I920-M924 VanDerWaalsContact O-CG 3.28Å; I920-M924 WeakPolarHBondContact O-CG 3.48Å; I920-M924 PolarHBondContact O-N 2.86Å; I921-M924 PolarHBondContact O-N 3.45Å; M924-E927 PolarHBondContact O-N 2.98Å; M924-L928 WeakPolarHBondContact O-CG 3.41Å; M924-L928 PolarHBondContact O-N 3.32Å; M924-L943 HydrophobicContact CB-CD1 3.96Å; M924-L943 HydrophobicContact CE-CD1 4.36Å; M924-M951 HydrophobicContact CE-CG 4.4Å; M924-M951 WeakPolarHBondContact CE-O 3.33Å; M924-M951 HydrophobicContact CE-SD 3.35Å; M924-M951 WeakPolarHBondContact CE-SD 3.43Å; M924-L954 HydrophobicContact CB-CD2 4.01Å; M924-L954 HydrophobicContact CB-CG 4.44Å; M924-L954 HydrophobicContact CE-CB 3.94Å; M924-L954 HydrophobicContact CE-CD2 3.77Å; M924-L954 HydrophobicContact CE-CG 3.77Å; M924-L954 HydrophobicContact CG-CD2 4.37Å; M924-L954 HydrophobicContact CG-CG 4.3Å; M924-L955 HydrophobicContact CE-CB 4.06Å; M924-L955 HydrophobicContact SD-CB 4.36Å; M924-L955 HydrophobicContact SD-CD1 4.1Å; M924-I958 HydrophobicContact CG-CG1 3.92Å
925A86.3Confident84.3Confident3 Ų326.4 Ų26.43%0.02514%0.142CC..Hα-helixtrans-63.5-42.6176.200000112.3L732 I921 Q922 V923 E927 L928 A929 A939 L943L732-A925 HydrophobicContact CD1-CB 3.52Å; I921-A925 PolarHBondContact O-N 3.37Å; Q922-A925 PolarHBondContact O-N 3.23Å; V923-A925 PolarHBondContact O-N 3.08Å; A925-E927 PolarHBondContact O-N 3.37Å; A925-L928 PolarHBondContact O-N 2.86Å; A925-A929 PolarHBondContact O-N 3.41Å; A925-A939 WeakPolarHBondContact O-CB 3.23Å; A925-L943 HydrophobicContact CB-CD2 4.16Å
926T80.7Confident83.3Confident29 Ų2927.5 Ų27.518%0.17815%0.153CC..Hα-helixtrans-64.9-39.7-179.9-54.70000111.6V733 Q922 V923 A929 R930V733-T926 HydrophobicContact CG2-CG2 3.74Å; V733-T926 WeakPolarHBondContact CG2-OG1 3.44Å; Q922-T926 WeakPolarHBondContact O-CB 3.34Å; Q922-T926 PolarHBondContact O-N 3.47Å; Q922-T926 PolarHBondContact O-OG1 3.01Å; V923-T926 PolarHBondContact O-N 3.05Å; T926-A929 PolarHBondContact O-N 2.96Å; T926-R930 PolarHBondContact O-N 3.1Å
927E80.8Confident82.5Confident11 Ų1131.4 Ų31.45%0.05117%0.172CC..Hα-helixtrans-69.3-34.1176.2-76.1-60.2138.200112.9V923 M924 A925 R930 S931 I958 F964 R1069V923-E927 HydrophobicContact CG1-CG 4.4Å; V923-E927 WeakPolarHBondContact O-CB 3.23Å; V923-E927 WeakPolarHBondContact O-CG 3.38Å; V923-E927 PolarHBondContact O-N 3.03Å; M924-E927 PolarHBondContact O-N 2.98Å; A925-E927 PolarHBondContact O-N 3.37Å; E927-R930 IonicContact OE1-NE 3.06Å; E927-R930 IonicContact OE2-CZ 3.22Å; E927-R930 IonicContact OE2-NE 3.65Å; E927-R930 PolarHBondContact OE2-NE 3.3Å; E927-R930 IonicContact OE2-NH2 3.9Å; E927-R930 PolarHBondContact OE2-NH2 3.46Å; E927-S931 VanDerWaalsContact O-CB 3.3Å; E927-S931 WeakPolarHBondContact O-CB 3.33Å; E927-S931 PolarHBondContact O-N 3.43Å; E927-S931 PolarHBondContact O-OG 3.06Å; E927-I958 HydrophobicContact CB-CD1 4.13Å; E927-I958 HydrophobicContact CG-CD1 3.7Å; E927-F964 HydrophobicContact CB-CZ 4.1Å; E927-F964 HydrophobicContact CG-CZ 4.38Å; E927-R1069 VanDerWaalsContact CD-NH2 3.31Å; E927-R1069 WeakPolarHBondContact OE1-CD 3.39Å; E927-R1069 WeakPolarHBondContact OE1-CG 3.03Å; E927-R1069 IonicContact OE1-CZ 3.74Å; E927-R1069 IonicContact OE1-NE 3.64Å; E927-R1069 PolarHBondContact OE1-NE 3.42Å; E927-R1069 IonicContact OE1-NH2 2.7Å; E927-R1069 IonicContact OE2-CZ 3.84Å; E927-R1069 VanDerWaalsContact OE2-CZ 3.22Å; E927-R1069 IonicContact OE2-NE 3.98Å; E927-R1069 PolarHBondContact OE2-NE 3.19Å; E927-R1069 IonicContact OE2-NH2 3.62Å; E927-R1069 PolarHBondContact OE2-NH2 3.1Å
928L83.2Confident81.6Confident0 Ų035.8 Ų35.80%019%0.192CC..Hα-helixtrans-66.3-44.5170.3-74.1175.3000111.4M924 A925 R930 S931 L932 A939 L943 L946 L954 V966M924-L928 WeakPolarHBondContact O-CG 3.41Å; M924-L928 PolarHBondContact O-N 3.32Å; A925-L928 PolarHBondContact O-N 2.86Å; L928-R930 VanDerWaalsContact C-N 3.3Å; L928-R930 PolarHBondContact O-N 3.09Å; L928-S931 PolarHBondContact O-N 3.36Å; L928-L932 VanDerWaalsContact O-CB 3.27Å; L928-L932 WeakPolarHBondContact O-CB 3.18Å; L928-L932 WeakPolarHBondContact O-CG 3.31Å; L928-L932 PolarHBondContact O-N 3.4Å; L928-A939 HydrophobicContact CB-CB 4.33Å; L928-L943 HydrophobicContact CD1-CB 3.85Å; L928-L943 HydrophobicContact CD1-CD1 3.58Å; L928-L943 HydrophobicContact CD1-CG 4.33Å; L928-L946 HydrophobicContact CD1-CD1 4.16Å; L928-L954 HydrophobicContact CD1-CD2 3.8Å; L928-L954 HydrophobicContact CD2-CD2 4.13Å; L928-L954 HydrophobicContact CG-CD2 3.87Å; L928-V966 HydrophobicContact CD2-CG1 3.92Å; L928-V966 HydrophobicContact CD2-CG2 4.29Å
929A81.1Confident81.2Confident12 Ų1235.5 Ų35.510%0.09919%0.189CC..Hα-helixtrans-56.5-46.6177.900000111.3A925 T926 N933 C934 A939A925-A929 PolarHBondContact O-N 3.41Å; T926-A929 PolarHBondContact O-N 2.96Å; A929-N933 WeakPolarHBondContact O-CA 3.36Å; A929-N933 PolarHBondContact O-N 2.8Å; A929-C934 PolarHBondContact O-N 3.21Å; A929-A939 HydrophobicContact CB-CB 3.55Å
930R78.1Confident80.8Confident128 Ų12835.5 Ų35.548%0.48319%0.19SC..Hα-helixtrans-65.5-50.9177.8-171.7-16963.269.57.4111.9T926 E927 L928 L932 N933T926-R930 PolarHBondContact O-N 3.1Å; E927-R930 IonicContact OE1-NE 3.06Å; E927-R930 IonicContact OE2-CZ 3.22Å; E927-R930 IonicContact OE2-NE 3.65Å; E927-R930 PolarHBondContact OE2-NE 3.3Å; E927-R930 IonicContact OE2-NH2 3.9Å; E927-R930 PolarHBondContact OE2-NH2 3.46Å; L928-R930 VanDerWaalsContact C-N 3.3Å; L928-R930 PolarHBondContact O-N 3.09Å; R930-L932 VanDerWaalsContact C-N 3.35Å; R930-L932 PolarHBondContact O-N 3.05Å; R930-N933 PolarHBondContact O-N 3.33Å
931S80.5Confident80.3Confident30 Ų3040.1 Ų40.121%0.2121%0.211CC..Hα-helixtrans-68.3-34.4-174.7-59.30000112.6E927 L928E927-S931 VanDerWaalsContact O-CB 3.3Å; E927-S931 WeakPolarHBondContact O-CB 3.33Å; E927-S931 PolarHBondContact O-N 3.43Å; E927-S931 PolarHBondContact O-OG 3.06Å; L928-S931 PolarHBondContact O-N 3.36Å
932L79.1Confident80Confident22 Ų2240.8 Ų40.812%0.11522%0.216CC..THydrogen-bonded Turntrans-88.9-2.9176.9-63.4177.3000113.6L928 R930 C934 V966 R968 I982L928-L932 VanDerWaalsContact O-CB 3.27Å; L928-L932 WeakPolarHBondContact O-CB 3.18Å; L928-L932 WeakPolarHBondContact O-CG 3.31Å; L928-L932 PolarHBondContact O-N 3.4Å; R930-L932 VanDerWaalsContact C-N 3.35Å; R930-L932 PolarHBondContact O-N 3.05Å; L932-C934 VanDerWaalsContact C-N 3.3Å; L932-C934 HydrophobicContact CB-CB 4.37Å; L932-C934 PolarHBondContact O-N 3.3Å; L932-V966 HydrophobicContact CD2-CB 4.41Å; L932-V966 HydrophobicContact CD2-CG1 3.83Å; L932-V966 HydrophobicContact CG-CG1 4.15Å; L932-R968 HydrophobicContact CD2-CG 3.93Å; L932-I982 HydrophobicContact CD1-CD1 4.07Å
933N79.1Confident80Confident154 Ų15438.4 Ų38.482%0.82421%0.205SC*.THydrogen-bonded Turntrans47.150.4-173.6-165.937.3000112.6A929 R930A929-N933 WeakPolarHBondContact O-CA 3.36Å; A929-N933 PolarHBondContact O-N 2.8Å; R930-N933 PolarHBondContact O-N 3.33Å
934C79.6Confident80Confident22 Ų2238.4 Ų38.415%0.14920%0.204CC..  trans-125.1168.6-174.769.40000112.2A929 L932 E938A929-C934 PolarHBondContact O-N 3.21Å; L932-C934 VanDerWaalsContact C-N 3.3Å; L932-C934 HydrophobicContact CB-CB 4.37Å; L932-C934 PolarHBondContact O-N 3.3Å; C934-E938 HydrophobicContact CB-CB 4.04Å; C934-E938 WeakPolarHBondContact CB-OE2 3.4Å
935S79.4Confident80Confident53 Ų5340.2 Ų40.237%0.37121%0.214SC..  trans-66.6156176.968.10000111.7E937 E938 A939S935-E937 PolarHBondContact O-N 3.14Å; S935-E938 PolarHBondContact O-N 2.76Å; S935-E938 WeakPolarHBondContact OG-CG 3.43Å; S935-E938 PolarHBondContact OG-N 2.97Å; S935-E938 PolarHBondContact OG-OE1 3.01Å; S935-A939 WeakPolarHBondContact O-CB 3.19Å; S935-A939 PolarHBondContact O-N 3.48Å
936G70.4Confident80.2Confident23 Ų2340.3 Ų40.324%0.23722%0.215CC..Hα-helixtrans-59.2-30.5176.700000113.6S940G936-S940 WeakPolarHBondContact O-CB 3.13Å; G936-S940 PolarHBondContact O-N 3.02Å; G936-S940 PolarHBondContact O-OG 2.81Å
937E70.8Confident80.7Confident87 Ų8739.6 Ų39.641%0.40721%0.21SC..Hα-helixtrans-67.9-46.9174.9-65.3-173172.700111.6S724 S935 A939 S940 E941S724-E937 WeakPolarHBondContact CB-OE1 3.38Å; S935-E937 PolarHBondContact O-N 3.14Å; E937-A939 VanDerWaalsContact C-N 3.32Å; E937-A939 PolarHBondContact O-N 3.3Å; E937-S940 PolarHBondContact O-N 3.49Å; E937-E941 PolarHBondContact O-N 2.93Å
938E74.5Confident81.3Confident92 Ų9239 Ų3943%0.4321%0.208SC..Hα-helixtrans-63.6-38.1175.9-75.7171.1-133.200112C934 S935 E941 S942 R968C934-E938 HydrophobicContact CB-CB 4.04Å; C934-E938 WeakPolarHBondContact CB-OE2 3.4Å; S935-E938 PolarHBondContact O-N 2.76Å; S935-E938 WeakPolarHBondContact OG-CG 3.43Å; S935-E938 PolarHBondContact OG-N 2.97Å; S935-E938 PolarHBondContact OG-OE1 3.01Å; E938-E941 PolarHBondContact O-N 3.4Å; E938-S942 VanDerWaalsContact O-CB 3.3Å; E938-S942 WeakPolarHBondContact O-CB 3.18Å; E938-S942 PolarHBondContact O-N 3.37Å; E938-S942 PolarHBondContact O-OG 2.69Å; E938-R968 IonicContact OE2-NH2 3.77Å
939A78.3Confident81.7Confident0 Ų041.3 Ų41.30%022%0.218CC..Hα-helixtrans-66.7-39.9176.900000112.2A925 L928 A929 S935 E937 S942 L943A925-A939 WeakPolarHBondContact O-CB 3.23Å; L928-A939 HydrophobicContact CB-CB 4.33Å; A929-A939 HydrophobicContact CB-CB 3.55Å; S935-A939 WeakPolarHBondContact O-CB 3.19Å; S935-A939 PolarHBondContact O-N 3.48Å; E937-A939 VanDerWaalsContact C-N 3.32Å; E937-A939 PolarHBondContact O-N 3.3Å; A939-S942 WeakPolarHBondContact O-CB 3.48Å; A939-S942 PolarHBondContact O-N 2.94Å; A939-L943 WeakPolarHBondContact O-CB 3.31Å; A939-L943 PolarHBondContact O-N 3.5Å
940S79.2Confident82.2Confident4 Ų443 Ų433%0.02823%0.225CC..Hα-helixtrans-66.5-37.8176.2-60.70000111.8G936 E937 L943 M944G936-S940 WeakPolarHBondContact O-CB 3.13Å; G936-S940 PolarHBondContact O-N 3.02Å; G936-S940 PolarHBondContact O-OG 2.81Å; E937-S940 PolarHBondContact O-N 3.49Å; S940-L943 PolarHBondContact O-N 3.15Å; S940-M944 WeakPolarHBondContact O-CG 3.4Å; S940-M944 PolarHBondContact O-N 2.83Å; S940-M944 VanDerWaalsContact O-N 3.1Å
941E78.6Confident82.9Confident96 Ų9636.9 Ų36.945%0.44920%0.202SC..Hα-helixtrans-64.3-46.5172.9-164.8160.7146.900112.4R727 E937 E938 L943 M944 N945R727-E941 IonicContact CZ-OE2 2.86Å; R727-E941 IonicContact NH1-OE2 3.56Å; R727-E941 PolarHBondContact NH1-OE2 3.02Å; R727-E941 IonicContact NH2-OE2 2.83Å; E937-E941 PolarHBondContact O-N 2.93Å; E938-E941 PolarHBondContact O-N 3.4Å; E941-L943 VanDerWaalsContact C-N 3.29Å; E941-L943 PolarHBondContact O-N 3.03Å; E941-M944 PolarHBondContact O-N 3.33Å; E941-N945 PolarHBondContact O-N 3.31Å; E941-N945 PolarHBondContact O-ND2 3.49Å
942S82.1Confident83.4Confident20 Ų2035.5 Ų35.514%0.1419%0.192CC..Hα-helixtrans-56.7-45.3176.1-64.80000110.8E938 A939 M944 N945 L946E938-S942 VanDerWaalsContact O-CB 3.3Å; E938-S942 WeakPolarHBondContact O-CB 3.18Å; E938-S942 PolarHBondContact O-N 3.37Å; E938-S942 PolarHBondContact O-OG 2.69Å; A939-S942 WeakPolarHBondContact O-CB 3.48Å; A939-S942 PolarHBondContact O-N 2.94Å; S942-M944 PolarHBondContact O-N 2.73Å; S942-N945 PolarHBondContact O-N 3.01Å; S942-L946 WeakPolarHBondContact O-CG 3.34Å; S942-L946 PolarHBondContact O-N 2.94Å
943L86.1Confident83.9Confident6 Ų636.6 Ų36.63%0.03120%0.198CC..Hα-helixtrans-58.5-47.7176-171.874.8000111.7L890 I921 M924 A925 L928 A939 S940 E941 N945 L946 M951 L954L890-L943 HydrophobicContact CD2-CD2 4.22Å; I921-L943 HydrophobicContact CG2-CD2 4.1Å; M924-L943 HydrophobicContact CB-CD1 3.96Å; M924-L943 HydrophobicContact CE-CD1 4.36Å; A925-L943 HydrophobicContact CB-CD2 4.16Å; L928-L943 HydrophobicContact CD1-CB 3.85Å; L928-L943 HydrophobicContact CD1-CD1 3.58Å; L928-L943 HydrophobicContact CD1-CG 4.33Å; A939-L943 WeakPolarHBondContact O-CB 3.31Å; A939-L943 PolarHBondContact O-N 3.5Å; S940-L943 PolarHBondContact O-N 3.15Å; E941-L943 VanDerWaalsContact C-N 3.29Å; E941-L943 PolarHBondContact O-N 3.03Å; L943-N945 PolarHBondContact O-N 3.41Å; L943-L946 HydrophobicContact CD1-CD1 4.3Å; L943-L946 PolarHBondContact O-N 3.31Å; L943-M951 HydrophobicContact CD1-CE 3.58Å; L943-M951 HydrophobicContact CD1-SD 3.91Å; L943-M951 HydrophobicContact CG-CE 3.91Å; L943-M951 HydrophobicContact CG-SD 4.45Å; L943-M951 WeakPolarHBondContact O-CE 3.27Å; L943-L954 HydrophobicContact CD1-CD2 3.82Å
944M85.6Confident84.5Confident13 Ų1329.3 Ų29.36%0.06416%0.159CC..Hα-helixtrans-68-19.9-180-69-59-67.100113.6S821 R824 L890 S940 E941 S942S821-M944 VanDerWaalsContact CA-O 3.27Å; S821-M944 WeakPolarHBondContact CA-O 3.1Å; S821-M944 PolarHBondContact N-O 2.95Å; R824-M944 HydrophobicContact CB-CE 3.98Å; R824-M944 HydrophobicContact CG-CE 4.48Å; R824-M944 PolarHBondContact NH1-O 3.06Å; L890-M944 HydrophobicContact CD2-SD 4.01Å; S940-M944 WeakPolarHBondContact O-CG 3.4Å; S940-M944 PolarHBondContact O-N 2.83Å; S940-M944 VanDerWaalsContact O-N 3.1Å; E941-M944 PolarHBondContact O-N 3.33Å; S942-M944 PolarHBondContact O-N 2.73Å
945N87.1Confident85.1Confident39 Ų3928.2 Ų28.221%0.20915%0.152CC..Hα-helixtrans-91.6-7.5176.9-81.1-31.7000114.1S821 E941 S942 L943S821-N945 WeakPolarHBondContact CB-OD1 3.41Å; S821-N945 PolarHBondContact OG-OD1 2.9Å; E941-N945 PolarHBondContact O-N 3.31Å; E941-N945 PolarHBondContact O-ND2 3.49Å; S942-N945 PolarHBondContact O-N 3.01Å; L943-N945 PolarHBondContact O-N 3.41Å
946L89.4Confident85.6Confident6 Ų627.7 Ų27.73%0.03114%0.144CC..SBendtrans-66141.1177.3-71.9178.3000111.1R824 L928 S942 L943 D950 M951 L954 I982R824-L946 PolarHBondContact NH1-O 3.28Å; R824-L946 PolarHBondContact NH2-O 3.03Å; L928-L946 HydrophobicContact CD1-CD1 4.16Å; S942-L946 WeakPolarHBondContact O-CG 3.34Å; S942-L946 PolarHBondContact O-N 2.94Å; L943-L946 HydrophobicContact CD1-CD1 4.3Å; L943-L946 PolarHBondContact O-N 3.31Å; L946-D950 HydrophobicContact CB-CB 4.29Å; L946-D950 HydrophobicContact CD2-CB 4.01Å; L946-M951 HydrophobicContact CB-CB 4.5Å; L946-M951 HydrophobicContact CB-CE 3.5Å; L946-M951 VanDerWaalsContact CB-CE 3.5Å; L946-M951 HydrophobicContact CD1-CE 3.53Å; L946-M951 HydrophobicContact CG-CE 4.01Å; L946-L954 HydrophobicContact CD1-CD2 3.98Å; L946-I982 HydrophobicContact CD2-CB 3.88Å; L946-I982 HydrophobicContact CD2-CD1 4.05Å; L946-I982 HydrophobicContact CD2-CG1 4.5Å; L946-I982 HydrophobicContact CD2-CG2 4.22Å
947S91.8Very high86.3Confident13 Ų1327.8 Ų27.89%0.09114%0.138CC..  trans-61156.6170.671.10000110.8D535 F949 D950 M951D535-S947 WeakPolarHBondContact OD2-CB 3.49Å; D535-S947 PolarHBondContact OD2-OG 3.18Å; S947-F949 PolarHBondContact O-N 2.99Å; S947-D950 PolarHBondContact O-N 3.24Å; S947-D950 WeakPolarHBondContact OG-CB 3.07Å; S947-D950 PolarHBondContact OG-N 3.32Å; S947-D950 PolarHBondContact OG-OD2 3.26Å; S947-M951 VanDerWaalsContact O-CB 3.31Å; S947-M951 WeakPolarHBondContact O-CB 3.27Å; S947-M951 PolarHBondContact O-N 3.23Å
948P92.9Very high87Confident0 Ų023.8 Ų23.80%012%0.119CC..Hα-helixtrans-47.2-44.4170.3-32.137.6000114.1Y531 L532 D535 M538 W820 Y897 K952Y531-P948 HydrophobicContact CD2-CG 4.33Å; Y531-P948 HydrophobicContact CE2-CG 4.34Å; L532-P948 HydrophobicContact CD2-CB 3.75Å; L532-P948 HydrophobicContact CD2-CG 4.08Å; D535-P948 HydrophobicContact CB-CB 4.17Å; D535-P948 HydrophobicContact CB-CG 3.96Å; D535-P948 WeakPolarHBondContact OD2-CD 3.25Å; M538-P948 HydrophobicContact CB-CB 4.22Å; M538-P948 HydrophobicContact CG-CB 4.09Å; W820-P948 HydrophobicContact CE3-CG 4.25Å; W820-P948 HydrophobicContact CH2-CG 4.43Å; W820-P948 HydrophobicContact CZ3-CG 4.03Å; Y897-P948 WeakPolarHBondContact OH-CA 3.46Å; Y897-P948 WeakPolarHBondContact OH-CB 3.35Å; P948-K952 WeakPolarHBondContact O-CB 3.5Å; P948-K952 PolarHBondContact O-N 3.05Å
949F92.3Very high87.5Confident47 Ų4719.4 Ų19.421%0.20610%0.099CC..Hα-helixtrans-65.5-46.5178.7-179.2-104.4000112.5D535 E537 M538 E541 S947 M951 K952 N953D535-F949 WeakPolarHBondContact OD2-CB 3.2Å; D535-F949 PolarHBondContact OD2-N 3.17Å; E537-F949 HydrophobicContact CB-CB 3.88Å; E537-F949 HydrophobicContact CB-CD1 3.78Å; E537-F949 HydrophobicContact CB-CD2 3.83Å; E537-F949 HydrophobicContact CB-CE1 4.21Å; E537-F949 HydrophobicContact CB-CE2 4.28Å; E537-F949 HydrophobicContact CB-CG 3.55Å; E537-F949 HydrophobicContact CB-CZ 4.45Å; E537-F949 HydrophobicContact CG-CD1 4.33Å; M538-F949 HydrophobicContact CB-CB 4.33Å; E541-F949 HydrophobicContact CB-CD2 4.38Å; E541-F949 HydrophobicContact CB-CE2 4.31Å; S947-F949 PolarHBondContact O-N 2.99Å; F949-M951 PolarHBondContact O-N 3.46Å; F949-K952 PolarHBondContact O-N 3.15Å; F949-N953 VanDerWaalsContact CD1-ND2 3.33Å; F949-N953 WeakPolarHBondContact CD1-ND2 3.34Å; F949-N953 WeakPolarHBondContact CE1-ND2 3.05Å; F949-N953 VanDerWaalsContact CZ-ND2 3.26Å; F949-N953 WeakPolarHBondContact CZ-ND2 3.28Å; F949-N953 PolarHBondContact O-N 3.43Å; F949-N953 PolarHBondContact O-ND2 3.26Å
950D90.8Very high87.7Confident47 Ų4720.4 Ų20.425%0.25111%0.106SC..Hα-helixtrans-67-37.8179.5-63.4-43.4000111.9L946 S947 N953 L954L946-D950 HydrophobicContact CB-CB 4.29Å; L946-D950 HydrophobicContact CD2-CB 4.01Å; S947-D950 PolarHBondContact O-N 3.24Å; S947-D950 WeakPolarHBondContact OG-CB 3.07Å; S947-D950 PolarHBondContact OG-N 3.32Å; S947-D950 PolarHBondContact OG-OD2 3.26Å; D950-N953 PolarHBondContact O-N 2.75Å; D950-L954 WeakPolarHBondContact O-CB 3.5Å; D950-L954 PolarHBondContact O-N 2.96Å
951M93Very high87.2Confident1 Ų121.1 Ų21.11%0.00511%0.114CC..Hα-helixtrans-59.4-47173.6-175.158.539.800111.4L890 I894 Y897 M924 L943 L946 S947 F949 L954 L955L890-M951 HydrophobicContact CD1-CG 4.1Å; L890-M951 HydrophobicContact CD1-SD 3.85Å; I894-M951 HydrophobicContact CD1-CG 4.14Å; I894-M951 HydrophobicContact CD1-SD 4.16Å; Y897-M951 HydrophobicContact CD2-CG 4.42Å; Y897-M951 HydrophobicContact CE2-CB 4.07Å; Y897-M951 HydrophobicContact CE2-CG 3.76Å; M924-M951 HydrophobicContact CE-CG 4.4Å; M924-M951 WeakPolarHBondContact CE-O 3.33Å; M924-M951 HydrophobicContact CE-SD 3.35Å; M924-M951 WeakPolarHBondContact CE-SD 3.43Å; L943-M951 HydrophobicContact CD1-CE 3.58Å; L943-M951 HydrophobicContact CD1-SD 3.91Å; L943-M951 HydrophobicContact CG-CE 3.91Å; L943-M951 HydrophobicContact CG-SD 4.45Å; L943-M951 WeakPolarHBondContact O-CE 3.27Å; L946-M951 HydrophobicContact CB-CB 4.5Å; L946-M951 HydrophobicContact CB-CE 3.5Å; L946-M951 VanDerWaalsContact CB-CE 3.5Å; L946-M951 HydrophobicContact CD1-CE 3.53Å; L946-M951 HydrophobicContact CG-CE 4.01Å; S947-M951 VanDerWaalsContact O-CB 3.31Å; S947-M951 WeakPolarHBondContact O-CB 3.27Å; S947-M951 PolarHBondContact O-N 3.23Å; F949-M951 PolarHBondContact O-N 3.46Å; M951-L954 PolarHBondContact O-N 3.23Å; M951-L955 PolarHBondContact O-N 3.3Å; M951-L955 VanDerWaalsContact O-N 3.11Å
952K92.3Very high86.8Confident1 Ų120.7 Ų20.70%0.00411%0.11CC..Hα-helixtrans-61.9-43.7176.2174.2176.8-179.8-143.70111.6M538 E541 Y897 M900 Y901 P948 F949 L955 H956M538-K952 HydrophobicContact CE-CD 4.05Å; M538-K952 HydrophobicContact SD-CD 3.95Å; E541-K952 VanDerWaalsContact CD-NZ 3.33Å; E541-K952 IonicContact OE1-NZ 2.78Å; E541-K952 PolarHBondContact OE1-NZ 2.73Å; Y897-K952 HydrophobicContact CD1-CB 4.21Å; Y897-K952 HydrophobicContact CD1-CD 4.29Å; Y897-K952 HydrophobicContact CD1-CG 4.39Å; Y897-K952 HydrophobicContact CD2-CB 3.9Å; Y897-K952 HydrophobicContact CE1-CB 4.43Å; Y897-K952 HydrophobicContact CE2-CB 4.14Å; Y897-K952 HydrophobicContact CG-CB 3.96Å; Y897-K952 HydrophobicContact CG-CG 4.18Å; M900-K952 HydrophobicContact CE-CD 4.23Å; M900-K952 HydrophobicContact SD-CD 4.44Å; Y901-K952 HydrophobicContact CE2-CG 3.84Å; Y901-K952 WeakPolarHBondContact OH-CE 3.41Å; Y901-K952 WeakPolarHBondContact OH-CG 3.37Å; Y901-K952 PolarHBondContact OH-O 3.3Å; P948-K952 WeakPolarHBondContact O-CB 3.5Å; P948-K952 PolarHBondContact O-N 3.05Å; F949-K952 PolarHBondContact O-N 3.15Å; K952-L955 WeakPolarHBondContact O-CB 3.46Å; K952-L955 PolarHBondContact O-N 3.12Å; K952-H956 PolarHBondContact O-N 3.07Å
953N89.7Confident86.2Confident45 Ų4522.6 Ų22.624%0.24112%0.117CC..Hα-helixtrans-65-42.5177.6-73-28.6000112.7F949 D950 L955 H956 H957F949-N953 VanDerWaalsContact CD1-ND2 3.33Å; F949-N953 WeakPolarHBondContact CD1-ND2 3.34Å; F949-N953 WeakPolarHBondContact CE1-ND2 3.05Å; F949-N953 VanDerWaalsContact CZ-ND2 3.26Å; F949-N953 WeakPolarHBondContact CZ-ND2 3.28Å; F949-N953 PolarHBondContact O-N 3.43Å; F949-N953 PolarHBondContact O-ND2 3.26Å; D950-N953 PolarHBondContact O-N 2.75Å; N953-L955 VanDerWaalsContact C-N 3.26Å; N953-L955 PolarHBondContact O-N 3.11Å; N953-H956 WeakPolarHBondContact O-CB 3.1Å; N953-H956 PolarHBondContact O-N 2.9Å; N953-H956 VanDerWaalsContact O-N 3.15Å; N953-H957 PolarHBondContact O-CD2 3.15Å; N953-H957 PolarHBondContact O-N 3.12Å; N953-H957 VanDerWaalsContact O-N 3.1Å
954L90.3Very high85.4Confident0 Ų022.8 Ų22.80%012%0.118CC..Hα-helixtrans-55.7-45.8173.6-179.257.5000110.7M924 L928 L943 L946 D950 M951 H956 H957 I958 F964 I984M924-L954 HydrophobicContact CB-CD2 4.01Å; M924-L954 HydrophobicContact CB-CG 4.44Å; M924-L954 HydrophobicContact CE-CB 3.94Å; M924-L954 HydrophobicContact CE-CD2 3.77Å; M924-L954 HydrophobicContact CE-CG 3.77Å; M924-L954 HydrophobicContact CG-CD2 4.37Å; M924-L954 HydrophobicContact CG-CG 4.3Å; L928-L954 HydrophobicContact CD1-CD2 3.8Å; L928-L954 HydrophobicContact CD2-CD2 4.13Å; L928-L954 HydrophobicContact CG-CD2 3.87Å; L943-L954 HydrophobicContact CD1-CD2 3.82Å; L946-L954 HydrophobicContact CD1-CD2 3.98Å; D950-L954 WeakPolarHBondContact O-CB 3.5Å; D950-L954 PolarHBondContact O-N 2.96Å; M951-L954 PolarHBondContact O-N 3.23Å; L954-H956 PolarHBondContact O-N 2.83Å; L954-H957 PolarHBondContact O-N 3.24Å; L954-I958 WeakPolarHBondContact O-CG1 3.37Å; L954-I958 PolarHBondContact O-N 3.05Å; L954-I958 VanDerWaalsContact O-N 3.07Å; L954-F964 HydrophobicContact CD1-CE2 3.66Å; L954-F964 HydrophobicContact CD1-CZ 3.92Å; L954-I984 HydrophobicContact CB-CD1 3.72Å; L954-I984 HydrophobicContact CD1-CD1 4.21Å; L954-I984 HydrophobicContact CG-CD1 4.45Å
955L92.3Very high84.4Confident0 Ų023.2 Ų23.20%013%0.126CC..Hα-helixtrans-59.7-42.5177.1178.964.4000112.4I894 Y897 L898 Y901 I920 M924 M951 K952 N953 H957 I958 L959I894-L955 HydrophobicContact CD1-CD2 4.31Å; I894-L955 HydrophobicContact CG2-CD2 4.2Å; Y897-L955 HydrophobicContact CD2-CD2 4.5Å; L898-L955 HydrophobicContact CD2-CD1 4.25Å; L898-L955 HydrophobicContact CD2-CD2 3.98Å; L898-L955 HydrophobicContact CD2-CG 4.43Å; L898-L955 HydrophobicContact CG-CD2 4.05Å; Y901-L955 HydrophobicContact CD2-CD2 4.39Å; Y901-L955 HydrophobicContact CE2-CD2 4.35Å; I920-L955 HydrophobicContact CG2-CD1 3.48Å; I920-L955 VanDerWaalsContact CG2-CD1 3.48Å; M924-L955 HydrophobicContact CE-CB 4.06Å; M924-L955 HydrophobicContact SD-CB 4.36Å; M924-L955 HydrophobicContact SD-CD1 4.1Å; M951-L955 PolarHBondContact O-N 3.3Å; M951-L955 VanDerWaalsContact O-N 3.11Å; K952-L955 WeakPolarHBondContact O-CB 3.46Å; K952-L955 PolarHBondContact O-N 3.12Å; N953-L955 VanDerWaalsContact C-N 3.26Å; N953-L955 PolarHBondContact O-N 3.11Å; L955-H957 VanDerWaalsContact C-N 3.33Å; L955-H957 PolarHBondContact O-N 2.93Å; L955-I958 PolarHBondContact O-N 2.86Å; L955-L959 HydrophobicContact CD1-CD1 4.21Å; L955-L959 HydrophobicContact CD1-CG 4.21Å; L955-L959 HydrophobicContact CG-CD1 4.01Å; L955-L959 HydrophobicContact CG-CG 4.41Å; L955-L959 WeakPolarHBondContact O-CG 3.28Å; L955-L959 PolarHBondContact O-N 3.28Å
956H90.1Very high83.7Confident42 Ų4221.9 Ų21.919%0.19412%0.118CC..Hα-helixtrans-58.1-45175.4-175.3-96.4000112.6Y901 Q905 K952 N953 L954 I958 L959 S960Y901-H956 AromaticContact CD1-CD2 3.94Å; Y901-H956 HydrophobicContact CE1-CB 4.12Å; Y901-H956 AromaticContact CE1-CD2 3.48Å; Y901-H956 VanDerWaalsContact CE1-CD2 3.48Å; Y901-H956 WeakPolarHBondContact CE1-CD2 3.42Å; Y901-H956 HydrophobicContact CE2-CB 4.2Å; Y901-H956 AromaticContact CZ-CD2 3.95Å; Y901-H956 WeakPolarHBondContact OH-CB 3.38Å; Q905-H956 PolarHBondContact OE1-NE2 3.41Å; K952-H956 PolarHBondContact O-N 3.07Å; N953-H956 WeakPolarHBondContact O-CB 3.1Å; N953-H956 PolarHBondContact O-N 2.9Å; N953-H956 VanDerWaalsContact O-N 3.15Å; L954-H956 PolarHBondContact O-N 2.83Å; H956-I958 VanDerWaalsContact C-N 3.33Å; H956-I958 PolarHBondContact O-N 3.29Å; H956-L959 PolarHBondContact O-N 3.36Å; H956-S960 VanDerWaalsContact O-CB 3.31Å; H956-S960 WeakPolarHBondContact O-CB 3.35Å; H956-S960 PolarHBondContact O-N 3.25Å; H956-S960 PolarHBondContact O-OG 2.94Å
957H85.2Confident82.7Confident25 Ų2527.7 Ų27.712%0.11615%0.145CC..Hα-helixtrans-62.9-40.3178.7-71.1-61.3000111.8N953 L954 L955 S960 G961 F964N953-H957 PolarHBondContact O-CD2 3.15Å; N953-H957 PolarHBondContact O-N 3.12Å; N953-H957 VanDerWaalsContact O-N 3.1Å; L954-H957 PolarHBondContact O-N 3.24Å; L955-H957 VanDerWaalsContact C-N 3.33Å; L955-H957 PolarHBondContact O-N 2.93Å; H957-S960 PolarHBondContact O-OG 2.95Å; H957-S960 VanDerWaalsContact O-OG 3.05Å; H957-G961 PolarHBondContact O-N 3.31Å; H957-F964 HydrophobicContact CB-CB 4.27Å; H957-F964 HydrophobicContact CB-CD1 3.5Å; H957-F964 HydrophobicContact CB-CD2 4.33Å; H957-F964 HydrophobicContact CB-CE1 3.77Å; H957-F964 HydrophobicContact CB-CG 3.79Å; H957-F964 HydrophobicContact CB-CZ 4.31Å
958I85.1Confident81.5Confident2 Ų232.9 Ų32.91%0.0116%0.163CC..Hα-helixtrans-60.4-49.9172.8-63.6-53.4000111.6V923 M924 E927 L954 L955 H956 S960 G961 F964 L1073V923-I958 HydrophobicContact CG1-CD1 3.85Å; V923-I958 HydrophobicContact CG1-CG1 4.31Å; V923-I958 HydrophobicContact CG1-CG2 3.78Å; M924-I958 HydrophobicContact CG-CG1 3.92Å; E927-I958 HydrophobicContact CB-CD1 4.13Å; E927-I958 HydrophobicContact CG-CD1 3.7Å; L954-I958 WeakPolarHBondContact O-CG1 3.37Å; L954-I958 PolarHBondContact O-N 3.05Å; L954-I958 VanDerWaalsContact O-N 3.07Å; L955-I958 PolarHBondContact O-N 2.86Å; H956-I958 VanDerWaalsContact C-N 3.33Å; H956-I958 PolarHBondContact O-N 3.29Å; I958-S960 PolarHBondContact O-N 3.31Å; I958-G961 PolarHBondContact O-N 2.91Å; I958-F964 HydrophobicContact CD1-CE1 4Å; I958-F964 HydrophobicContact CD1-CZ 3.79Å; I958-L1073 HydrophobicContact CD1-CD2 4.22Å; I958-L1073 HydrophobicContact CG2-CD2 4.31Å
959L85.3Confident79.6Confident1 Ų135.2 Ų35.21%0.00518%0.18CC..Hα-helixtrans-67.3-38.7-177.1-66172.8000112.8L898 Y901 F909 M912 L955 H956 G961 R1079L898-L959 HydrophobicContact CD2-CD1 3.69Å; L898-L959 HydrophobicContact CD2-CD2 4.27Å; Y901-L959 HydrophobicContact CD2-CD1 4.32Å; F909-L959 HydrophobicContact CE1-CD1 4.46Å; F909-L959 HydrophobicContact CZ-CD1 4.06Å; M912-L959 HydrophobicContact CE-CD2 4.2Å; L955-L959 HydrophobicContact CD1-CD1 4.21Å; L955-L959 HydrophobicContact CD1-CG 4.21Å; L955-L959 HydrophobicContact CG-CD1 4.01Å; L955-L959 HydrophobicContact CG-CG 4.41Å; L955-L959 WeakPolarHBondContact O-CG 3.28Å; L955-L959 PolarHBondContact O-N 3.28Å; H956-L959 PolarHBondContact O-N 3.36Å; L959-G961 VanDerWaalsContact C-N 3.26Å; L959-G961 PolarHBondContact O-N 2.96Å; L959-R1079 PolarHBondContact O-NH2 2.96Å
960S82.1Confident77.2Confident21 Ų2139.6 Ų39.615%0.14721%0.21CC..Hα-helixtrans-68.9-25.1179.771.20000112.9H956 H957 I958 K962H956-S960 VanDerWaalsContact O-CB 3.31Å; H956-S960 WeakPolarHBondContact O-CB 3.35Å; H956-S960 PolarHBondContact O-N 3.25Å; H956-S960 PolarHBondContact O-OG 2.94Å; H957-S960 PolarHBondContact O-OG 2.95Å; H957-S960 VanDerWaalsContact O-OG 3.05Å; I958-S960 PolarHBondContact O-N 3.31Å; S960-K962 PolarHBondContact O-N 2.9Å; S960-K962 PolarHBondContact OG-N 2.95Å
961G70.3Confident74.6Confident19 Ų1943.7 Ų43.720%0.19622%0.222CC..THydrogen-bonded Turntrans65.217.5-176.200000113.6H957 I958 L959H957-G961 PolarHBondContact O-N 3.31Å; I958-G961 PolarHBondContact O-N 2.91Å; L959-G961 VanDerWaalsContact C-N 3.26Å; L959-G961 PolarHBondContact O-N 2.96Å
962K70.2Confident71.7Confident86 Ų8648.8 Ų48.837%0.37426%0.255SS..  trans-76.7154171.6-68.5-177.2170.5-170.90110.3S960 F964 E986S960-K962 PolarHBondContact O-N 2.9Å; S960-K962 PolarHBondContact OG-N 2.95Å; K962-F964 WeakPolarHBondContact O-CD1 3.36Å; K962-E986 VanDerWaalsContact CD-OE1 3.31Å; K962-E986 WeakPolarHBondContact CD-OE1 3.38Å; K962-E986 IonicContact NZ-OE1 3.28Å; K962-E986 PolarHBondContact NZ-OE1 3.32Å
963E67.6Low68.8Low61 Ų6156.7 Ų56.729%0.28530%0.295SS..  trans-74.3139.4171.8-68.5179.7173.800109.6V987 T990 Q1066E963-V987 PolarHBondContact O-N 3.35Å; E963-T990 PolarHBondContact OE2-OG1 3.15Å; E963-T990 VanDerWaalsContact OE2-OG1 3.06Å; E963-Q1066 PolarHBondContact OE1-NE2 3.17Å
964F70.4Confident66Low10 Ų1063.2 Ų63.24%0.04432%0.324CS..EExtended strand (participates in β ladder)trans-144.6148.1-179.162.9-86000109.5E927 L954 H957 I958 K962 V966 I984 H985E927-F964 HydrophobicContact CB-CZ 4.1Å; E927-F964 HydrophobicContact CG-CZ 4.38Å; L954-F964 HydrophobicContact CD1-CE2 3.66Å; L954-F964 HydrophobicContact CD1-CZ 3.92Å; H957-F964 HydrophobicContact CB-CB 4.27Å; H957-F964 HydrophobicContact CB-CD1 3.5Å; H957-F964 HydrophobicContact CB-CD2 4.33Å; H957-F964 HydrophobicContact CB-CE1 3.77Å; H957-F964 HydrophobicContact CB-CG 3.79Å; H957-F964 HydrophobicContact CB-CZ 4.31Å; I958-F964 HydrophobicContact CD1-CE1 4Å; I958-F964 HydrophobicContact CD1-CZ 3.79Å; K962-F964 WeakPolarHBondContact O-CD1 3.36Å; F964-V966 HydrophobicContact CD2-CG2 3.9Å; F964-V966 HydrophobicContact CE2-CG2 3.89Å; F964-I984 HydrophobicContact CD2-CG2 4.02Å; F964-H985 WeakPolarHBondContact CA-O 3.49Å
965G64.8Low63.2Low22 Ų2265.3 Ų65.323%0.22734%0.339CS..EExtended strand (participates in β ladder)trans-103.5148176.300000110H985G965-H985 PolarHBondContact N-O 3.42Å; G965-H985 PolarHBondContact O-N 3.05Å
966V72.3Confident60.5Low10 Ų1071.3 Ų71.36%0.06138%0.381CS..EExtended strand (participates in β ladder)trans-128.2123.2175-173.40000107.6L928 L932 F964 I982 S983 I984L928-V966 HydrophobicContact CD2-CG1 3.92Å; L928-V966 HydrophobicContact CD2-CG2 4.29Å; L932-V966 HydrophobicContact CD2-CB 4.41Å; L932-V966 HydrophobicContact CD2-CG1 3.83Å; L932-V966 HydrophobicContact CG-CG1 4.15Å; F964-V966 HydrophobicContact CD2-CG2 3.9Å; F964-V966 HydrophobicContact CE2-CG2 3.89Å; V966-I982 HydrophobicContact CG1-CG2 3.22Å; V966-S983 WeakPolarHBondContact CA-O 3.46Å; V966-I984 HydrophobicContact CG1-CG1 4.48Å; V966-I984 HydrophobicContact CG2-CG1 4.42Å
967E68.8Low58.1Low128 Ų12871.7 Ų71.760%0.59839%0.386SS*.EExtended strand (participates in β ladder)trans-122148.4-179.4-66.7-177.2-178.500110.8S969 S983E967-S969 PolarHBondContact O-N 3.42Å; E967-S983 PolarHBondContact N-O 3.07Å; E967-S983 PolarHBondContact O-N 3.43Å
968R66.1Low55.8Low123 Ų12375.9 Ų75.946%0.46442%0.418SS..EExtended strand (participates in β ladder)trans-80.1109.2168.1-69.1-174.6176.4169.4-0.2107.9L932 E938 V970 P980L932-R968 HydrophobicContact CD2-CG 3.93Å; E938-R968 IonicContact OE2-NH2 3.77Å; R968-V970 PolarHBondContact O-N 3.5Å; R968-P980 HydrophobicContact CB-CB 4.45Å
969S53.6Low53.5Low49 Ų4978.3 Ų78.334%0.34344%0.435SS..EExtended strand (participates in β ladder)trans-70.6125.9174.1-176.10000110.4E967 R971 A981E967-S969 PolarHBondContact O-N 3.42Å; S969-R971 PolarHBondContact O-N 3.14Å; S969-A981 WeakPolarHBondContact CA-O 3.47Å; S969-A981 WeakPolarHBondContact CB-O 3.03Å; S969-A981 PolarHBondContact N-O 3.29Å
970V41.5Very low51.5Low139 Ų13981.9 Ų81.984%0.84246%0.459SS*.  trans-85.6100.6170.9-173.70000107.7R968R968-V970 PolarHBondContact O-N 3.5Å
971R36.7Very low50.3Low133 Ų13382.1 Ų82.150%0.50246%0.462SS..  trans-70.9149.3171.1-74.8-173.6178.3173.3-0.3110.6S969S969-R971 PolarHBondContact O-N 3.14Å
972P30.8Very low50Low107 Ų10782.2 Ų82.270%0.69546%0.457SS*.  trans-59.5149.9166.6-15.228.2000110.6H974P972-H974 PolarHBondContact O-N 2.7Å
973I31.3Very low49.8Very low167 Ų16779.4 Ų79.486%0.85645%0.449SS*.THydrogen-bonded Turntrans-56.47.1-166.4-66.2158.7000116.4
974H30.5Very low49.8Very low183 Ų18377.7 Ų77.785%0.84744%0.441SS*.THydrogen-bonded Turntrans-110.38.6-172-63-59.5000116.4P972P972-H974 PolarHBondContact O-N 2.7Å
975S31.7Very low49.6Very low44 Ų4482.2 Ų82.231%0.30846%0.462SS..  trans-100.3122.1169.960.10000111.7T977S975-T977 PolarHBondContact O-N 2.81Å
976S36.7Very low49.1Very low126 Ų12686 Ų8688%0.88147%0.474SS*.  trans-75.18.7-177.152.40000115.9
977T39Very low48.1Very low50 Ų5089.2 Ų89.231%0.30749%0.494SS..  trans-82.7123.7175.839.30000110.5S975 S979S975-T977 PolarHBondContact O-N 2.81Å; T977-S979 PolarHBondContact O-N 3.25Å; T977-S979 VanDerWaalsContact O-N 3.14Å
978S36.3Very low46.9Very low113 Ų11385.6 Ų85.679%0.7949%0.491SS*.SBendtrans-76.311.9-173.648.60000115.9
979S38.4Very low45.5Very low52 Ų5288.2 Ų88.236%0.36451%0.508SS..SBendtrans-127.9137.7-178.1-56.90000112.4T977 A981T977-S979 PolarHBondContact O-N 3.25Å; T977-S979 VanDerWaalsContact O-N 3.14Å; S979-A981 PolarHBondContact O-N 3.03Å
980P42.9Very low44.9Very low77 Ų7790.3 Ų90.350%0.552%0.519SS..PPolyproline II helixtrans-64.2130.517826-31.9000110R968 I982R968-P980 HydrophobicContact CB-CB 4.45Å; P980-I982 PolarHBondContact O-N 3.34Å
981A55.5Low45Very low26 Ų2686.4 Ų86.422%0.21551%0.506CS..EExtended strand (participates in β ladder)trans-66.3134.7175.100000109.3S969 S979S969-A981 WeakPolarHBondContact CA-O 3.47Å; S969-A981 WeakPolarHBondContact CB-O 3.03Å; S969-A981 PolarHBondContact N-O 3.29Å; S979-A981 PolarHBondContact O-N 3.03Å
982I64.3Low45.2Very low20 Ų2082.8 Ų82.810%0.10350%0.499CS..EExtended strand (participates in β ladder)trans-96.3126.4178.3-66.9169.7000107.7L932 L946 V966 P980 I984L932-I982 HydrophobicContact CD1-CD1 4.07Å; L946-I982 HydrophobicContact CD2-CB 3.88Å; L946-I982 HydrophobicContact CD2-CD1 4.05Å; L946-I982 HydrophobicContact CD2-CG1 4.5Å; L946-I982 HydrophobicContact CD2-CG2 4.22Å; V966-I982 HydrophobicContact CG1-CG2 3.22Å; P980-I982 PolarHBondContact O-N 3.34Å; I982-I984 HydrophobicContact CG2-CG1 4.47Å
983S66.1Low45.7Very low27 Ų2781.2 Ų81.219%0.18949%0.488CS..EExtended strand (participates in β ladder)trans-107.2133.7172.763.20000110.6V966 E967 H985V966-S983 WeakPolarHBondContact CA-O 3.46Å; E967-S983 PolarHBondContact N-O 3.07Å; E967-S983 PolarHBondContact O-N 3.43Å; S983-H985 WeakPolarHBondContact CB-NE2 3.4Å; S983-H985 PolarHBondContact OG-NE2 2.84Å; S983-H985 VanDerWaalsContact OG-NE2 3.15Å
984I68.6Low46.5Very low26 Ų2679.7 Ų79.713%0.13348%0.475CS..EExtended strand (participates in β ladder)trans-110124.8179.4-54173.6000108L954 F964 V966 I982L954-I984 HydrophobicContact CB-CD1 3.72Å; L954-I984 HydrophobicContact CD1-CD1 4.21Å; L954-I984 HydrophobicContact CG-CD1 4.45Å; F964-I984 HydrophobicContact CD2-CG2 4.02Å; V966-I984 HydrophobicContact CG1-CG1 4.48Å; V966-I984 HydrophobicContact CG2-CG1 4.42Å; I982-I984 HydrophobicContact CG2-CG1 4.47Å
985H64.9Low47Very low105 Ų10576.1 Ų76.149%0.48647%0.466SS..EExtended strand (participates in β ladder)trans-129.7142.7-178.1-59-56.9000111.5F964 G965 S983 V987F964-H985 WeakPolarHBondContact CA-O 3.49Å; G965-H985 PolarHBondContact N-O 3.42Å; G965-H985 PolarHBondContact O-N 3.05Å; S983-H985 WeakPolarHBondContact CB-NE2 3.4Å; S983-H985 PolarHBondContact OG-NE2 2.84Å; S983-H985 VanDerWaalsContact OG-NE2 3.15Å; H985-V987 PolarHBondContact O-N 2.89Å
986E54.8Low47.6Very low101 Ų10179.3 Ų79.347%0.47248%0.476SS..EExtended strand (participates in β ladder)trans-71.3126.5174.3-171.4171.8-173.400109.6K962K962-E986 VanDerWaalsContact CD-OE1 3.31Å; K962-E986 WeakPolarHBondContact CD-OE1 3.38Å; K962-E986 IonicContact NZ-OE1 3.28Å; K962-E986 PolarHBondContact NZ-OE1 3.32Å
987V50.9Low48.4Very low78 Ų7876.3 Ų76.347%0.47345%0.445SS..PPolyproline II helixtrans-89.9136.3170.4-173.90000106.3E963 H985E963-V987 PolarHBondContact O-N 3.35Å; H985-V987 PolarHBondContact O-N 2.89Å
988G43.8Very low49.1Very low52 Ų5275.7 Ų75.754%0.53644%0.443SS..PPolyproline II helixtrans-50.6170.7-164.300000117.5T990G988-T990 PolarHBondContact O-N 3.24Å; G988-T990 PolarHBondContact O-OG1 3.4Å
989H38.4Very low49.9Very low177 Ų17770.6 Ų70.682%0.81941%0.408SS*.SBendtrans-61.985.1-173.7-64.4-45.2000114.7
990T39.9Very low50.8Low94 Ų9469.2 Ų69.258%0.57740%0.396SS*.  trans-111.95.3172.551.20000113.3E963 G988E963-T990 PolarHBondContact OE2-OG1 3.15Å; E963-T990 VanDerWaalsContact OE2-OG1 3.06Å; G988-T990 PolarHBondContact O-N 3.24Å; G988-T990 PolarHBondContact O-OG1 3.4Å
991G43.1Very low51.6Low56 Ų5670.4 Ų70.458%0.57740%0.402SS*.PPolyproline II helixtrans-80.3124.3-174.400000115
992V42Very low51.9Low57 Ų5775.9 Ų75.935%0.34542%0.417SS..PPolyproline II helixtrans-61.2136168.4176.40000111.1E996 R997V992-E996 HydrophobicContact CG1-CB 3.16Å; V992-E996 HydrophobicContact CG1-CG 4.19Å; V992-E996 WeakPolarHBondContact CG1-OE2 3.42Å; V992-R997 PolarHBondContact O-NE 2.99Å
993T41.4Very low51.6Low75 Ų7575.7 Ų75.746%0.4642%0.416SS..PPolyproline II helixtrans-63.7155.1-173.560.60000112.7T995 E996 R997T993-T995 PolarHBondContact O-N 2.88Å; T993-T995 PolarHBondContact OG1-OG1 3.45Å; T993-E996 PolarHBondContact N-OE2 2.98Å; T993-E996 PolarHBondContact O-N 2.74Å; T993-E996 WeakPolarHBondContact OG1-CG 3.46Å; T993-E996 PolarHBondContact OG1-OE2 3.41Å; T993-R997 WeakPolarHBondContact O-CG 3.39Å; T993-R997 PolarHBondContact O-N 2.98Å
994K48.3Very low51.4Low135 Ų13580 Ų8059%0.58743%0.428SS*.THydrogen-bonded Turntrans-49.5-34-177.5-76.2-175.5176.9-177.90113.5S907S907-K994 PolarHBondContact O-NZ 3.19Å
995T40.2Very low51Low107 Ų10781.5 Ų81.566%0.65644%0.441SS*.THydrogen-bonded Turntrans-78-29179.937.90000114.5T993 R997T993-T995 PolarHBondContact O-N 2.88Å; T993-T995 PolarHBondContact OG1-OG1 3.45Å; T995-R997 VanDerWaalsContact C-N 3.34Å
996E43.5Very low50.7Low112 Ų11279.9 Ų79.952%0.52343%0.434SS..G310 helixtrans-80-19.6178.9-72.1167.7143.800112.1V992 T993 S998 G999V992-E996 HydrophobicContact CG1-CB 3.16Å; V992-E996 HydrophobicContact CG1-CG 4.19Å; V992-E996 WeakPolarHBondContact CG1-OE2 3.42Å; T993-E996 PolarHBondContact N-OE2 2.98Å; T993-E996 PolarHBondContact O-N 2.74Å; T993-E996 WeakPolarHBondContact OG1-CG 3.46Å; T993-E996 PolarHBondContact OG1-OE2 3.41Å; E996-S998 VanDerWaalsContact C-N 3.26Å; E996-S998 PolarHBondContact O-N 3.4Å; E996-G999 PolarHBondContact O-N 2.81Å
997R53.4Low50.7Low63 Ų6379.3 Ų79.324%0.23843%0.433CS..G310 helixtrans-63.9-23.8179.5-66.6176.2-169.3-171.1-3.4114.6V992 T993 T995V992-R997 PolarHBondContact O-NE 2.99Å; T993-R997 WeakPolarHBondContact O-CG 3.39Å; T993-R997 PolarHBondContact O-N 2.98Å; T995-R997 VanDerWaalsContact C-N 3.34Å
998S53.5Low50.8Low37 Ų3781.2 Ų81.226%0.25943%0.434SS..G310 helixtrans-88.6-19.5-176.2174.50000113.9E996 I1000E996-S998 VanDerWaalsContact C-N 3.26Å; E996-S998 PolarHBondContact O-N 3.4Å; S998-I1000 PolarHBondContact O-N 3.49Å; S998-I1000 VanDerWaalsContact OG-CD1 3.23Å; S998-I1000 WeakPolarHBondContact OG-CD1 3.39Å; S998-I1000 WeakPolarHBondContact OG-CG1 3.26Å
999G54.5Low51.1Low5 Ų584.7 Ų84.75%0.05244%0.437CS..  trans64.2-13.2-177.500000116.5E996 T1001 R1002 L1003E996-G999 PolarHBondContact O-N 2.81Å; G999-T1001 PolarHBondContact O-N 3.41Å; G999-R1002 PolarHBondContact O-N 2.82Å; G999-L1003 PolarHBondContact O-N 2.88Å; G999-L1003 VanDerWaalsContact O-N 3.11Å
1000I57.3Low51.3Low23 Ų2383.2 Ų83.212%0.11843%0.432CS..Hα-helixtrans-67.2-36.9-171.9-75.7172.7000113.7S998 R1002 L1003 R1004 M1145 M1212S998-I1000 PolarHBondContact O-N 3.49Å; S998-I1000 VanDerWaalsContact OG-CD1 3.23Å; S998-I1000 WeakPolarHBondContact OG-CD1 3.39Å; S998-I1000 WeakPolarHBondContact OG-CG1 3.26Å; I1000-R1002 VanDerWaalsContact C-N 3.27Å; I1000-R1002 PolarHBondContact O-N 2.73Å; I1000-L1003 PolarHBondContact O-N 3.47Å; I1000-R1004 WeakPolarHBondContact O-CB 3.2Å; I1000-R1004 PolarHBondContact O-N 2.8Å; I1000-M1145 HydrophobicContact CD1-CB 3.73Å; I1000-M1145 HydrophobicContact CD1-CE 3.23Å; I1000-M1145 HydrophobicContact CD1-CG 4.09Å; I1000-M1145 HydrophobicContact CD1-SD 4.46Å; I1000-M1212 HydrophobicContact CD1-CE 3.94Å; I1000-M1212 HydrophobicContact CG1-CE 3.45Å; I1000-M1212 VanDerWaalsContact CG1-CE 3.45Å
1001T60Low51.2Low102 Ų10283 Ų8363%0.62643%0.431SS*.Hα-helixtrans-61.7-40.117839.40000111.2G999 S1005G999-T1001 PolarHBondContact O-N 3.41Å; T1001-S1005 PolarHBondContact O-N 3.25Å
1002R61.2Low51.1Low142 Ų14289.6 Ų89.654%0.53644%0.438SS..Hα-helixtrans-68-47.1175.2-170174.5175.7165.15.1111.3G999 I1000 R1004 S1005 E1006G999-R1002 PolarHBondContact O-N 2.82Å; I1000-R1002 VanDerWaalsContact C-N 3.27Å; I1000-R1002 PolarHBondContact O-N 2.73Å; R1002-R1004 PolarHBondContact O-N 3.42Å; R1002-S1005 WeakPolarHBondContact CA-OG 3.33Å; R1002-S1005 WeakPolarHBondContact O-CB 3.5Å; R1002-S1005 PolarHBondContact O-N 3.4Å; R1002-S1005 VanDerWaalsContact O-N 3.08Å; R1002-S1005 PolarHBondContact O-OG 2.85Å; R1002-E1006 WeakPolarHBondContact CG-OE1 3.48Å; R1002-E1006 IonicContact NE-OE1 3.2Å; R1002-E1006 PolarHBondContact NE-OE1 3.46Å; R1002-E1006 WeakPolarHBondContact O-CG 3.13Å; R1002-E1006 PolarHBondContact O-N 2.67Å
1003L58.5Low51Low15 Ų1596.3 Ų96.38%0.07946%0.457CS..Hα-helixtrans-58.6-43.6175.2-172.6127.9000112.3G999 I1000 S1005 E1006 M1007 L1149 M1212G999-L1003 PolarHBondContact O-N 2.88Å; G999-L1003 VanDerWaalsContact O-N 3.11Å; I1000-L1003 PolarHBondContact O-N 3.47Å; L1003-S1005 VanDerWaalsContact C-N 3.3Å; L1003-S1005 PolarHBondContact O-N 3.14Å; L1003-E1006 PolarHBondContact O-N 3.1Å; L1003-M1007 HydrophobicContact CD2-CG 4.35Å; L1003-M1007 HydrophobicContact CD2-SD 3.57Å; L1003-M1007 VanDerWaalsContact CD2-SD 3.57Å; L1003-M1007 HydrophobicContact CG-SD 4.37Å; L1003-M1007 WeakPolarHBondContact O-CB 3.32Å; L1003-M1007 VanDerWaalsContact O-CG 3.3Å; L1003-M1007 WeakPolarHBondContact O-CG 3.38Å; L1003-M1007 PolarHBondContact O-N 2.59Å; L1003-L1149 HydrophobicContact CD2-CD1 3.57Å; L1003-M1212 HydrophobicContact CD1-CB 4.06Å
1004R60.9Low50.8Low117 Ų11796.7 Ų96.744%0.44247%0.468SS..Hα-helixtrans-62.6-36.5175.3-165.1177.5-165.9165.313.1112I1000 R1002 K1008 D1152I1000-R1004 WeakPolarHBondContact O-CB 3.2Å; I1000-R1004 PolarHBondContact O-N 2.8Å; R1002-R1004 PolarHBondContact O-N 3.42Å; R1004-K1008 WeakPolarHBondContact O-CB 3.4Å; R1004-K1008 VanDerWaalsContact O-CG 3.27Å; R1004-K1008 WeakPolarHBondContact O-CG 3.46Å; R1004-K1008 PolarHBondContact O-N 2.9Å; R1004-D1152 IonicContact CZ-OD2 2.93Å; R1004-D1152 IonicContact NH2-OD2 3.65Å; R1004-D1152 PolarHBondContact NH2-OD2 3.3Å
1005S60.8Low50.2Low58 Ų5894.9 Ų94.941%0.40647%0.472SS..Hα-helixtrans-70-39.6175.574.80000112.5T1001 R1002 L1003 K1008 Q1009T1001-S1005 PolarHBondContact O-N 3.25Å; R1002-S1005 WeakPolarHBondContact CA-OG 3.33Å; R1002-S1005 WeakPolarHBondContact O-CB 3.5Å; R1002-S1005 PolarHBondContact O-N 3.4Å; R1002-S1005 VanDerWaalsContact O-N 3.08Å; R1002-S1005 PolarHBondContact O-OG 2.85Å; L1003-S1005 VanDerWaalsContact C-N 3.3Å; L1003-S1005 PolarHBondContact O-N 3.14Å; S1005-K1008 PolarHBondContact O-N 3.33Å; S1005-Q1009 WeakPolarHBondContact O-CB 2.98Å; S1005-Q1009 PolarHBondContact O-N 2.65Å
1006E57.3Low50.2Low71 Ų7193.4 Ų93.433%0.33247%0.471SS..Hα-helixtrans-67.6-43.1176.5-72.1171.4-176.800110.7R1002 L1003 Q1009 M1010R1002-E1006 WeakPolarHBondContact CG-OE1 3.48Å; R1002-E1006 IonicContact NE-OE1 3.2Å; R1002-E1006 PolarHBondContact NE-OE1 3.46Å; R1002-E1006 WeakPolarHBondContact O-CG 3.13Å; R1002-E1006 PolarHBondContact O-N 2.67Å; L1003-E1006 PolarHBondContact O-N 3.1Å; E1006-Q1009 PolarHBondContact O-N 3.07Å; E1006-M1010 WeakPolarHBondContact O-CB 3.26Å; E1006-M1010 PolarHBondContact O-N 3.1Å
1007M55.4Low49.7Very low90 Ų9095.4 Ų95.444%0.44349%0.485SS..Hα-helixtrans-60.6-47172.7-71.6178.67800111.8L1003 Q1009 M1010 T1011 L1149L1003-M1007 HydrophobicContact CD2-CG 4.35Å; L1003-M1007 HydrophobicContact CD2-SD 3.57Å; L1003-M1007 VanDerWaalsContact CD2-SD 3.57Å; L1003-M1007 HydrophobicContact CG-SD 4.37Å; L1003-M1007 WeakPolarHBondContact O-CB 3.32Å; L1003-M1007 VanDerWaalsContact O-CG 3.3Å; L1003-M1007 WeakPolarHBondContact O-CG 3.38Å; L1003-M1007 PolarHBondContact O-N 2.59Å; M1007-Q1009 VanDerWaalsContact C-N 3.3Å; M1007-Q1009 PolarHBondContact O-N 2.91Å; M1007-M1010 WeakPolarHBondContact O-CB 3.23Å; M1007-M1010 PolarHBondContact O-N 3.23Å; M1007-M1010 VanDerWaalsContact O-N 3.11Å; M1007-T1011 PolarHBondContact O-N 3.32Å; M1007-T1011 PolarHBondContact O-OG1 3.29Å; M1007-L1149 HydrophobicContact SD-CD1 4.26Å
1008K53.1Low48.8Very low117 Ų117100.8 Ų100.851%0.50951%0.513SS..Hα-helixtrans-62.7-34.7176.6-77.9179.5178.3-173.40112.7R1004 S1005 R1012R1004-K1008 WeakPolarHBondContact O-CB 3.4Å; R1004-K1008 VanDerWaalsContact O-CG 3.27Å; R1004-K1008 WeakPolarHBondContact O-CG 3.46Å; R1004-K1008 PolarHBondContact O-N 2.9Å; S1005-K1008 PolarHBondContact O-N 3.33Å; K1008-R1012 WeakPolarHBondContact O-CG 3.19Å; K1008-R1012 PolarHBondContact O-N 3.14Å
1009Q50Low47.7Very low125 Ų125108.6 Ų108.658%0.58455%0.546SS*.Hα-helixtrans-67.9-37.3173.1-93.8-177.5-14.600112S1005 E1006 M1007 R1012 R1013S1005-Q1009 WeakPolarHBondContact O-CB 2.98Å; S1005-Q1009 PolarHBondContact O-N 2.65Å; E1006-Q1009 PolarHBondContact O-N 3.07Å; M1007-Q1009 VanDerWaalsContact C-N 3.3Å; M1007-Q1009 PolarHBondContact O-N 2.91Å; Q1009-R1012 PolarHBondContact O-N 3.44Å; Q1009-R1013 PolarHBondContact O-N 3.07Å
1010M41.9Very low46.4Very low146 Ų146116.6 Ų116.672%0.71958%0.579SS**Hα-helixtrans-68.7-40.2177.7-152.5174.3-90.700111.3E1006 M1007 R1012 R1013 A1014E1006-M1010 WeakPolarHBondContact O-CB 3.26Å; E1006-M1010 PolarHBondContact O-N 3.1Å; M1007-M1010 WeakPolarHBondContact O-CB 3.23Å; M1007-M1010 PolarHBondContact O-N 3.23Å; M1007-M1010 VanDerWaalsContact O-N 3.11Å; M1010-R1012 PolarHBondContact O-N 3.4Å; M1010-R1013 PolarHBondContact O-N 3.43Å; M1010-A1014 PolarHBondContact O-N 3.45Å
1011T39.4Very low45Very low91 Ų91123.6 Ų123.656%0.55861%0.609SS**Hα-helixtrans-62.1-40.3173.5-41.70000112.2M1007 R1013 A1014 S1015M1007-T1011 PolarHBondContact O-N 3.32Å; M1007-T1011 PolarHBondContact O-OG1 3.29Å; T1011-R1013 VanDerWaalsContact C-N 3.33Å; T1011-R1013 PolarHBondContact O-N 3.28Å; T1011-A1014 PolarHBondContact O-N 3.17Å; T1011-S1015 PolarHBondContact O-N 2.86Å; T1011-S1015 PolarHBondContact O-OG 3.36Å
1012R40.3Very low43.8Very low193 Ų193124 Ų12473%0.72861%0.613SS**Hα-helixtrans-69-26.8177.3-73-175.7-158.9-178.94.1114.1K1008 Q1009 M1010K1008-R1012 WeakPolarHBondContact O-CG 3.19Å; K1008-R1012 PolarHBondContact O-N 3.14Å; Q1009-R1012 PolarHBondContact O-N 3.44Å; M1010-R1012 PolarHBondContact O-N 3.4Å
1013R39.8Very low42.1Very low199 Ų199124.4 Ų124.475%0.75163%0.631SS**Hα-helixtrans-74.3-36.2174.9-78.5-177.8175.7171.7-0.3111.8Q1009 M1010 T1011 S1015 A1016Q1009-R1013 PolarHBondContact O-N 3.07Å; M1010-R1013 PolarHBondContact O-N 3.43Å; T1011-R1013 VanDerWaalsContact C-N 3.33Å; T1011-R1013 PolarHBondContact O-N 3.28Å; R1013-S1015 VanDerWaalsContact C-N 3.33Å; R1013-S1015 PolarHBondContact O-N 3.05Å; R1013-A1016 PolarHBondContact O-N 3.5Å
1014A36.6Very low40.5Very low82 Ų82127 Ų12768%0.67866%0.662SS**Hα-helixtrans-68.9-29.2176.100000113.1M1010 T1011 A1016M1010-A1014 PolarHBondContact O-N 3.45Å; T1011-A1014 PolarHBondContact O-N 3.17Å; A1014-A1016 VanDerWaalsContact C-N 3.29Å; A1014-A1016 PolarHBondContact O-N 3.29Å
1015S37Very low38.9Very low98 Ų98131 Ų13169%0.68569%0.685SS**THydrogen-bonded Turntrans-77.7-7.1177.9-40.70000114.9T1011 R1013T1011-S1015 PolarHBondContact O-N 2.86Å; T1011-S1015 PolarHBondContact O-OG 3.36Å; R1013-S1015 VanDerWaalsContact C-N 3.33Å; R1013-S1015 PolarHBondContact O-N 3.05Å
1016A39.3Very low37.2Very low76 Ų76132.6 Ų132.663%0.62870%0.702SS**THydrogen-bonded Turntrans-103.8-5.1-17200000114.4R1013 A1014R1013-A1016 PolarHBondContact O-N 3.5Å; A1014-A1016 VanDerWaalsContact C-N 3.29Å; A1014-A1016 PolarHBondContact O-N 3.29Å
1017D34.2Very low35.7Very low153 Ų153135.7 Ų135.782%0.81873%0.726SS**SBendtrans-98.414.1-174.9-94.6-13.3000114.8
1018E33.5Very low34.3Very low177 Ų177136.9 Ų136.983%0.82774%0.743SS**  trans-11381.7168.3-76.2-166.6159.400111.7
1019Q30.8Very low33Very low201 Ų201139 Ų13994%0.93976%0.76SS**  trans-167.1138.3145.8-106.2161.238.400113
1020F27.5Very low31.8Very low172 Ų172139.2 Ų139.275%0.75478%0.775SS**  trans-89.9148.1-160.9-101.7-78.4000116.3
1021F27.2Very low31Very low171 Ų171139.2 Ų139.275%0.7578%0.777SS**  trans70.4161.3145.3-70.6-51.2000122.3
1022P35.2Very low30.3Very low110 Ų110142.2 Ų142.271%0.71478%0.784SS**  cis-140.9163.7-28.334.7-14.6000117.2
1023V25.9Very low29.6Very low151 Ų151138.4 Ų138.492%0.91579%0.787SS**  trans30.2127.6142.2-173.20000122.6
1024G25.4Very low28.9Very low69 Ų69138.4 Ų138.471%0.71179%0.793SS**  trans160.294.2148.400000119.9
1025Q25.9Very low28.3Very low201 Ų201143.9 Ų143.994%0.93980%0.801SS**  trans43.8120.9144.6-77.5178.2-22.700124.3
1026A26.3Very low27.8Very low92 Ų92145.1 Ų145.176%0.7681%0.81SS**  139.4111.7108.200000117.7
1027V25.8Very low27.1Very low136 Ų136145.9 Ų145.982%0.82482%0.816SS**  trans57.9107.8133.2-161.90000121.6
1028S25.9Very low26.7Very low115 Ų115150.6 Ų150.680%0.80482%0.823SS**  159.2138.1105.949.40000113
1029N25.3Very low26.3Very low161 Ų161148 Ų14886%0.86182%0.824SS**  trans-69.4140.4176.8-76.4-27000112.7
1030S25.5Very low26Very low129 Ų129143.9 Ų143.990%0.90282%0.818SS**  trans-159141.7134.3-90.60000113
1031L24.4Very low26Very low146 Ų146142.1 Ų142.176%0.76482%0.821SS**  trans-80.3139.8-170.3-146.973.3000111.2
1032H24.9Very low26Very low155 Ų155140.2 Ų140.272%0.71883%0.826SS**  trans127.4116.8145.5-72.6-65000117.6
1033S26.1Very low25.6Very low113 Ų113140.4 Ų140.479%0.7983%0.83SS**  trans57.897.8136.4-159.10000118.3
1034F23.7Very low25.4Very low199 Ų199138.9 Ų138.987%0.87383%0.826SS**  trans-120.4109.5165.6-83.1-80.9000112.6
1035K24.7Very low25.7Very low196 Ų196141.1 Ų141.185%0.85283%0.828SS**  trans-8.1121143.2-64.3168.6178.1175.20115
1036S26.1Very low25.8Very low125 Ų125138.2 Ų138.287%0.87482%0.824SS**PPolyproline II helixtrans-77.6122.7164.7-175.30000110.2
1037A25Very low25.7Very low91 Ų91137.5 Ų137.575%0.75283%0.825SS**PPolyproline II helixtrans-76.4130.2179.900000111.1
1038R24.8Very low25.6Very low252 Ų252138 Ų13895%0.95183%0.829SS**PPolyproline II helixtrans-61.1132.2164.6-77.1172.5163.7175-6.2109.9
1039S25.1Very low25.5Very low122 Ų122137.8 Ų137.885%0.85383%0.828SS**  trans-109133.3155.251.40000108.8
1040S25.5Very low25.5Very low116 Ų116135.8 Ų135.881%0.81183%0.826SS**PPolyproline II helixtrans-90.8136.3-162.444.80000113.2
1041T26.5Very low25.6Very low135 Ų135135.9 Ų135.983%0.82882%0.822SS**PPolyproline II helixtrans-87.2147.1157.839.70000110.2
1042P27.8Very low25.6Very low130 Ų130136.8 Ų136.884%0.84483%0.827SS**PPolyproline II helixtrans-84.4142.5172.225-15.1000111.5
1043S26.7Very low25.7Very low114 Ų114134.8 Ų134.880%0.79783%0.831SS**PPolyproline II helixtrans-87.7159.1-178.233.50000113.3
1044S23.2Very low25.6Very low119 Ų119133.5 Ų133.583%0.83284%0.835SS**  trans-149.3156.2165-83.30000109.2
1045P31.3Very low25.6Very low116 Ų116127.8 Ų127.875%0.75383%0.832SS**  -104.6150.7-115.732.4-27.2000117
1046T26.8Very low25.8Very low141 Ų141127.5 Ų127.587%0.86583%0.834SS**  trans13.7113148.45.90000120.2
1047G23.8Very low25.7Very low76 Ų76130.5 Ų130.578%0.78483%0.833SS**  trans-126.6128.5148.800000108.7
1048T24.9Very low25.9Very low146 Ų146135 Ų13590%0.89684%0.841SS**PPolyproline II helixtrans-67.4123.8-169.346.90000113.4
1049S24.4Very low25.9Very low112 Ų112125.7 Ų125.778%0.78382%0.824SS**PPolyproline II helixtrans-92.3127.9169.555.40000111.3
1050S24.5Very low25.9Very low119 Ų119131.9 Ų131.983%0.83283%0.829SS**PPolyproline II helixtrans-73.2130.4160.549.30000109.9
1051T26.6Very low26Very low131 Ų131129.1 Ų129.180%0.80482%0.818SS**PPolyproline II helixtrans-60.8130175.142.70000112.5
1052D25Very low26.6Very low165 Ų165131.9 Ų131.988%0.88282%0.822SS**  trans-146147.9137.9-140.1-9000112
1053S27Very low27.5Very low113 Ų113133.5 Ų133.579%0.7982%0.818SS**  trans-108.5139-157-510000111.7
1054G24.4Very low28.9Very low86 Ų86134.8 Ų134.889%0.88781%0.811SS**  trans123.6113.5150.300000116
1055G24.3Very low31.1Very low78 Ų78130.3 Ų130.380%0.80479%0.785SS**  trans132.491.316000000114.2H1057G1055-H1057 PolarHBondContact O-N 2.63Å; G1055-H1057 VanDerWaalsContact O-N 3.15Å
1056H28.4Very low33.3Very low191 Ų191128.1 Ų128.188%0.88476%0.764SS**  trans-62.7109.4167.9-80.3-77000111.2
1057H23.9Very low36Very low187 Ų187124 Ų12487%0.86673%0.733SS**  trans-142.498145.4-96.5-73.3000107.6G1055 G1059G1055-H1057 PolarHBondContact O-N 2.63Å; G1055-H1057 VanDerWaalsContact O-N 3.15Å; H1057-G1059 VanDerWaalsContact C-N 3.3Å; H1057-G1059 PolarHBondContact O-N 3.24Å
1058M29.8Very low38.8Very low186 Ų186121.7 Ų121.792%0.91670%0.702SS**  trans-67.795.3159.3-92.2-161.5173.100107W1060M1058-W1060 PolarHBondContact O-N 3.22Å
1059G24Very low41.5Very low57 Ų57116.6 Ų116.659%0.58867%0.667SS**  trans-85.6104.9175.300000110.7H1057 G1061H1057-G1059 VanDerWaalsContact C-N 3.3Å; H1057-G1059 PolarHBondContact O-N 3.24Å; G1059-G1061 PolarHBondContact O-N 3.21Å
1060W25.6Very low44.2Very low252 Ų252113 Ų11396%0.95564%0.636SS**THydrogen-bonded Turntrans-5815.1165-90.226.7000114.7M1058M1058-W1060 PolarHBondContact O-N 3.22Å
1061G26.4Very low47.2Very low58 Ų58107.5 Ų107.560%0.59860%0.597SS**THydrogen-bonded Turntrans-97-15.9-172.100000116.1G1059G1059-G1061 PolarHBondContact O-N 3.21Å
1062E38.8Very low49.9Very low193 Ų193105.4 Ų105.490%0.90257%0.574SS**SBendtrans-85.5-11.1-173.4-73.5-177.7166.200114.7
1063Q47.1Very low52.6Low164 Ų16498.1 Ų98.177%0.76654%0.535SS*.SBendtrans-102.1-6.3-176.5-70.1-176.6-3.600114.7
1064Q57Low55.3Low140 Ų14093.7 Ų93.765%0.65450%0.503SS*.THydrogen-bonded Turntrans-77.9127.8-178.8-165.8171.41.700110.6
1065G70.1Confident58.3Low26 Ų2689.6 Ų89.627%0.26846%0.461SS..THydrogen-bonded Turntrans94.4-1.6178.700000115.5R1069 D1202G1065-R1069 WeakPolarHBondContact O-CB 3.4Å; G1065-R1069 PolarHBondContact O-N 3.35Å; G1065-D1202 VanDerWaalsContact CA-CG 3.47Å; G1065-D1202 WeakPolarHBondContact CA-OD1 3.33Å; G1065-D1202 WeakPolarHBondContact CA-OD2 2.98Å; G1065-D1202 VanDerWaalsContact N-CG 3.29Å; G1065-D1202 PolarHBondContact N-OD1 3.04Å; G1065-D1202 PolarHBondContact N-OD2 3.04Å
1066Q77.5Confident61Low69 Ų6985.9 Ų85.932%0.32242%0.422SS..Hα-helixtrans-66.4-40.6-174.7-165.1-174.129.500112.7E963 R1070 D1202E963-Q1066 PolarHBondContact OE1-NE2 3.17Å; Q1066-R1070 PolarHBondContact O-N 2.93Å; Q1066-R1070 VanDerWaalsContact O-N 3.13Å; Q1066-D1202 PolarHBondContact N-OD1 3.27Å
1067W83.4Confident63.7Low55 Ų5576.9 Ų76.921%0.20838%0.38CS..Hα-helixtrans-81.7-36.8-178.4-70.1106.8000111.7R1069 R1070 R1071 D1202 A1204 P1205W1067-R1069 VanDerWaalsContact C-N 3.31Å; W1067-R1069 PolarHBondContact O-N 3.49Å; W1067-R1070 PolarHBondContact O-N 3.38Å; W1067-R1070 VanDerWaalsContact O-N 3.16Å; W1067-R1071 WeakPolarHBondContact O-CG 3.31Å; W1067-R1071 PolarHBondContact O-N 3.02Å; W1067-D1202 WeakPolarHBondContact CB-O 3.33Å; W1067-D1202 PolarHBondContact N-OD1 2.97Å; W1067-A1204 HydrophobicContact CD2-CB 4.41Å; W1067-A1204 HydrophobicContact CZ2-CB 4Å; W1067-P1205 VanDerWaalsContact CE3-CD 3.42Å; W1067-P1205 HydrophobicContact CE3-CG 4.04Å; W1067-P1205 HydrophobicContact CH2-CG 4.3Å; W1067-P1205 HydrophobicContact CZ3-CG 3.75Å
1068L82.4Confident66.7Low27 Ų2768 Ų6814%0.14134%0.339CS..Hα-helixtrans-57.8-47.6171.6170.362.2000110.3R1070 R1071 R1072 E1135 Y1201 D1202L1068-R1070 VanDerWaalsContact C-N 3.34Å; L1068-R1070 PolarHBondContact O-N 3.41Å; L1068-R1071 PolarHBondContact O-N 3.41Å; L1068-R1072 HydrophobicContact CD1-CG 4.37Å; L1068-R1072 WeakPolarHBondContact O-CG 3.41Å; L1068-R1072 PolarHBondContact O-N 3.46Å; L1068-E1135 HydrophobicContact CD1-CB 3.96Å; L1068-E1135 HydrophobicContact CD1-CG 4.07Å; L1068-Y1201 WeakPolarHBondContact CA-O 3.26Å; L1068-Y1201 HydrophobicContact CD1-CG 4.23Å; L1068-Y1201 PolarHBondContact N-O 3.07Å; L1068-D1202 HydrophobicContact CB-CB 4.09Å; L1068-D1202 PolarHBondContact N-OD1 2.89Å
1069R80.8Confident69.5Low40 Ų4060.8 Ų60.815%0.15130%0.302CS..Hα-helixtrans-55.1-48.6173.8179.7-178.2-179.7-96.6-1.1111.5E927 G1065 W1067 R1071 R1072 L1073E927-R1069 VanDerWaalsContact CD-NH2 3.31Å; E927-R1069 WeakPolarHBondContact OE1-CD 3.39Å; E927-R1069 WeakPolarHBondContact OE1-CG 3.03Å; E927-R1069 IonicContact OE1-CZ 3.74Å; E927-R1069 IonicContact OE1-NE 3.64Å; E927-R1069 PolarHBondContact OE1-NE 3.42Å; E927-R1069 IonicContact OE1-NH2 2.7Å; E927-R1069 IonicContact OE2-CZ 3.84Å; E927-R1069 VanDerWaalsContact OE2-CZ 3.22Å; E927-R1069 IonicContact OE2-NE 3.98Å; E927-R1069 PolarHBondContact OE2-NE 3.19Å; E927-R1069 IonicContact OE2-NH2 3.62Å; E927-R1069 PolarHBondContact OE2-NH2 3.1Å; G1065-R1069 WeakPolarHBondContact O-CB 3.4Å; G1065-R1069 PolarHBondContact O-N 3.35Å; W1067-R1069 VanDerWaalsContact C-N 3.31Å; W1067-R1069 PolarHBondContact O-N 3.49Å; R1069-R1071 PolarHBondContact O-N 3.23Å; R1069-R1072 WeakPolarHBondContact O-CB 3.5Å; R1069-R1072 PolarHBondContact O-N 3.19Å; R1069-L1073 HydrophobicContact CG-CD1 4.35Å; R1069-L1073 WeakPolarHBondContact O-CG 3.5Å; R1069-L1073 PolarHBondContact O-N 2.97Å
1070R81.3Confident72.6Confident35 Ų3558.4 Ų58.413%0.13228%0.276CS..Hα-helixtrans-62-43.6-179.5-175.8168.4-71.7144.72112.4Q1066 W1067 L1068 R1072 L1073 D1074Q1066-R1070 PolarHBondContact O-N 2.93Å; Q1066-R1070 VanDerWaalsContact O-N 3.13Å; W1067-R1070 PolarHBondContact O-N 3.38Å; W1067-R1070 VanDerWaalsContact O-N 3.16Å; L1068-R1070 VanDerWaalsContact C-N 3.34Å; L1068-R1070 PolarHBondContact O-N 3.41Å; R1070-R1072 VanDerWaalsContact C-N 3.33Å; R1070-R1072 PolarHBondContact O-N 3.47Å; R1070-L1073 PolarHBondContact O-N 2.88Å; R1070-D1074 PolarHBondContact O-N 3.27Å
1071R87.2Confident75.4Confident5 Ų547.8 Ų47.82%0.01924%0.24CC..Hα-helixtrans-63.5-38.5175.9-70.6-169.8176.1101.6-1.1112.1W1067 L1068 R1069 G1075 E1135 Q1138 E1142 Y1201 S1203 T1211W1067-R1071 WeakPolarHBondContact O-CG 3.31Å; W1067-R1071 PolarHBondContact O-N 3.02Å; L1068-R1071 PolarHBondContact O-N 3.41Å; R1069-R1071 PolarHBondContact O-N 3.23Å; R1071-G1075 WeakPolarHBondContact O-CA 3.41Å; R1071-G1075 PolarHBondContact O-N 3.25Å; R1071-E1135 HydrophobicContact CB-CB 4.18Å; R1071-Q1138 HydrophobicContact CB-CB 4.01Å; R1071-Q1138 HydrophobicContact CB-CG 4.19Å; R1071-Q1138 HydrophobicContact CG-CB 4.15Å; R1071-Q1138 HydrophobicContact CG-CG 3.92Å; R1071-E1142 IonicContact CZ-OE1 3.27Å; R1071-E1142 IonicContact CZ-OE2 3.56Å; R1071-E1142 IonicContact NE-OE1 2.79Å; R1071-E1142 PolarHBondContact NE-OE1 3.33Å; R1071-E1142 IonicContact NE-OE2 2.93Å; R1071-E1142 IonicContact NH2-OE1 2.84Å; R1071-E1142 PolarHBondContact NH2-OE1 3.47Å; R1071-E1142 IonicContact NH2-OE2 3.33Å; R1071-E1142 PolarHBondContact NH2-OE2 2.79Å; R1071-Y1201 PolarHBondContact NH1-O 3.41Å; R1071-S1203 PolarHBondContact NH1-O 2.94Å; R1071-S1203 PolarHBondContact NH2-O 3.47Å; R1071-S1203 VanDerWaalsContact NH2-O 3.07Å; R1071-T1211 VanDerWaalsContact NH2-CG2 3.31Å; R1071-T1211 PolarHBondContact NH2-OG1 3.06Å
1072R83.3Confident78.2Confident87 Ų8750.1 Ų50.133%0.32824%0.242SC..Hα-helixtrans-60.3-47.1172.5-77.1179.8173172.10.9112.2L1068 R1069 R1070 A1076 P1134 E1135L1068-R1072 HydrophobicContact CD1-CG 4.37Å; L1068-R1072 WeakPolarHBondContact O-CG 3.41Å; L1068-R1072 PolarHBondContact O-N 3.46Å; R1069-R1072 WeakPolarHBondContact O-CB 3.5Å; R1069-R1072 PolarHBondContact O-N 3.19Å; R1070-R1072 VanDerWaalsContact C-N 3.33Å; R1070-R1072 PolarHBondContact O-N 3.47Å; R1072-A1076 WeakPolarHBondContact O-CB 3.41Å; R1072-A1076 PolarHBondContact O-N 3.21Å; R1072-P1134 WeakPolarHBondContact O-CB 3.37Å; R1072-E1135 HydrophobicContact CG-CB 4.09Å; R1072-E1135 HydrophobicContact CG-CG 4.5Å; R1072-E1135 WeakPolarHBondContact CG-OE2 2.99Å; R1072-E1135 IonicContact CZ-OE1 2.85Å; R1072-E1135 VanDerWaalsContact CZ-OE1 3.27Å; R1072-E1135 IonicContact NE-OE1 3.75Å; R1072-E1135 PolarHBondContact NE-OE1 3.39Å; R1072-E1135 IonicContact NE-OE2 2.92Å; R1072-E1135 IonicContact NH2-OE1 3.99Å; R1072-E1135 PolarHBondContact NH2-OE1 3.26Å
1073L81.8Confident80.5Confident11 Ų1141.7 Ų41.76%0.05821%0.207CC..Hα-helixtrans-61.6-57.7178-68177.8000111.5V923 I958 R1069 R1070 G1075 A1076 I1077V923-L1073 HydrophobicContact CG1-CD2 3.23Å; I958-L1073 HydrophobicContact CD1-CD2 4.22Å; I958-L1073 HydrophobicContact CG2-CD2 4.31Å; R1069-L1073 HydrophobicContact CG-CD1 4.35Å; R1069-L1073 WeakPolarHBondContact O-CG 3.5Å; R1069-L1073 PolarHBondContact O-N 2.97Å; R1070-L1073 PolarHBondContact O-N 2.88Å; L1073-G1075 VanDerWaalsContact C-N 3.31Å; L1073-G1075 PolarHBondContact O-N 3.47Å; L1073-A1076 PolarHBondContact O-N 2.87Å; L1073-I1077 VanDerWaalsContact O-CG1 3.28Å; L1073-I1077 WeakPolarHBondContact O-CG1 3.44Å; L1073-I1077 PolarHBondContact O-N 3.49Å; L1073-I1077 VanDerWaalsContact O-N 3.12Å
1074D84.4Confident82.6Confident21 Ų2133.9 Ų33.911%0.11217%0.17CC..Hα-helixtrans-64.9-36-176.1-73.9-35000111.6R1070 N1078 R1079R1070-D1074 PolarHBondContact O-N 3.27Å; D1074-N1078 PolarHBondContact O-N 2.93Å; D1074-N1078 VanDerWaalsContact O-N 3.14Å; D1074-R1079 HydrophobicContact CB-CB 4.46Å; D1074-R1079 PolarHBondContact O-N 2.83Å; D1074-R1079 IonicContact OD1-NH1 2.73Å; D1074-R1079 PolarHBondContact OD1-NH1 3.33Å
1075G86.1Confident84.3Confident0 Ų027.9 Ų27.90%014%0.142CC..Hα-helixtrans-68.5-37.1174.900000113.8R1071 L1073 N1078 P1134R1071-G1075 WeakPolarHBondContact O-CA 3.41Å; R1071-G1075 PolarHBondContact O-N 3.25Å; L1073-G1075 VanDerWaalsContact C-N 3.31Å; L1073-G1075 PolarHBondContact O-N 3.47Å; G1075-N1078 PolarHBondContact O-N 3.4Å; G1075-N1078 PolarHBondContact O-OD1 2.91Å; G1075-P1134 WeakPolarHBondContact CA-O 3.39Å
1076A82.3Confident85.3Confident0 Ų030.4 Ų30.40%015%0.147CC..Hα-helixtrans-74.5-31.8-179.500000112.3L919 V923 R1072 L1073 N1078 P1134L919-A1076 HydrophobicContact CB-CB 4.15Å; V923-A1076 HydrophobicContact CG2-CB 3.51Å; R1072-A1076 WeakPolarHBondContact O-CB 3.41Å; R1072-A1076 PolarHBondContact O-N 3.21Å; L1073-A1076 PolarHBondContact O-N 2.87Å; A1076-N1078 VanDerWaalsContact C-N 3.34Å; A1076-P1134 HydrophobicContact CB-CB 4.2Å; A1076-P1134 HydrophobicContact CB-CG 4.15Å
1077I84.5Confident86Confident1 Ų131.7 Ų31.71%0.00515%0.148CC..THydrogen-bonded Turntrans-92.77.4176.173.4-171.5000112.9M912 I920 L1073 R1079M912-I1077 HydrophobicContact CE-CB 3.75Å; M912-I1077 HydrophobicContact CE-CD1 4.41Å; M912-I1077 HydrophobicContact CE-CG1 4.16Å; M912-I1077 HydrophobicContact SD-CD1 4.22Å; M912-I1077 HydrophobicContact SD-CG1 4.3Å; I920-I1077 HydrophobicContact CG1-CG2 4.25Å; L1073-I1077 VanDerWaalsContact O-CG1 3.28Å; L1073-I1077 WeakPolarHBondContact O-CG1 3.44Å; L1073-I1077 PolarHBondContact O-N 3.49Å; L1073-I1077 VanDerWaalsContact O-N 3.12Å; I1077-R1079 VanDerWaalsContact C-N 3.28Å; I1077-R1079 HydrophobicContact CD1-CB 4.26Å; I1077-R1079 VanDerWaalsContact CD1-CZ 3.5Å; I1077-R1079 HydrophobicContact CG1-CB 3.94Å; I1077-R1079 PolarHBondContact O-N 3.01Å
1078N87.9Confident86.5Confident0 Ų029.1 Ų29.10%014%0.139CC..THydrogen-bonded Turntrans52.338.8178.8-71.2-2000114.6D1074 G1075 A1076 E1125 N1129 R1137D1074-N1078 PolarHBondContact O-N 2.93Å; D1074-N1078 VanDerWaalsContact O-N 3.14Å; G1075-N1078 PolarHBondContact O-N 3.4Å; G1075-N1078 PolarHBondContact O-OD1 2.91Å; A1076-N1078 VanDerWaalsContact C-N 3.34Å; N1078-E1125 VanDerWaalsContact CB-OE1 3.32Å; N1078-E1125 WeakPolarHBondContact CB-OE1 3.49Å; N1078-E1125 VanDerWaalsContact CG-OE1 3.3Å; N1078-E1125 PolarHBondContact ND2-OE1 3.35Å; N1078-N1129 PolarHBondContact ND2-OD1 3.06Å; N1078-R1137 PolarHBondContact OD1-NE 3.23Å
1079R87.3Confident87Confident35 Ų3529.2 Ų29.213%0.13214%0.137CC..BIsolated β-bridgetrans-83.1129.2-179.7-174.6178.5-73.1155.9-7.2110.7L908 M912 L959 D1074 I1077L908-R1079 PolarHBondContact O-NH2 2.77Å; M912-R1079 HydrophobicContact CG-CB 3.97Å; M912-R1079 HydrophobicContact CG-CG 4.24Å; L959-R1079 PolarHBondContact O-NH2 2.96Å; D1074-R1079 HydrophobicContact CB-CB 4.46Å; D1074-R1079 PolarHBondContact O-N 2.83Å; D1074-R1079 IonicContact OD1-NH1 2.73Å; D1074-R1079 PolarHBondContact OD1-NH1 3.33Å; I1077-R1079 VanDerWaalsContact C-N 3.28Å; I1077-R1079 HydrophobicContact CD1-CB 4.26Å; I1077-R1079 VanDerWaalsContact CD1-CZ 3.5Å; I1077-R1079 HydrophobicContact CG1-CB 3.94Å; I1077-R1079 PolarHBondContact O-N 3.01Å
1080V88.9Confident87.5Confident7 Ų732.2 Ų32.24%0.04215%0.151CC..  trans-116.4163.9175.6-62.50000112.1E911 F1084 Y1085 V1141E911-V1080 HydrophobicContact CB-CG2 4.46Å; E911-V1080 WeakPolarHBondContact CB-O 3.27Å; E911-V1080 PolarHBondContact O-N 2.86Å; E911-V1080 VanDerWaalsContact O-N 3.15Å; V1080-F1084 HydrophobicContact CB-CB 4.02Å; V1080-F1084 HydrophobicContact CB-CD1 4.03Å; V1080-F1084 HydrophobicContact CB-CG 3.98Å; V1080-F1084 HydrophobicContact CG1-CD1 4.07Å; V1080-F1084 HydrophobicContact CG1-CE1 4.29Å; V1080-F1084 HydrophobicContact CG1-CG 4.42Å; V1080-F1084 HydrophobicContact CG2-CB 3.93Å; V1080-F1084 HydrophobicContact CG2-CD1 4.09Å; V1080-F1084 HydrophobicContact CG2-CG 4.22Å; V1080-Y1085 HydrophobicContact CG2-CD2 4.46Å; V1080-Y1085 HydrophobicContact CG2-CE2 3.63Å; V1080-V1141 HydrophobicContact CG1-CG1 4.29Å; V1080-V1141 HydrophobicContact CG1-CG2 4.27Å
1081P85.8Confident88Confident30 Ų3030.5 Ų30.520%0.19515%0.145CC..  trans-67.3151173.9-23.536000113.2G1083 F1084 V1141 M1145P1081-G1083 PolarHBondContact O-N 3.42Å; P1081-F1084 WeakPolarHBondContact O-CB 3.4Å; P1081-F1084 PolarHBondContact O-N 3.01Å; P1081-V1141 HydrophobicContact CG-CG1 4.48Å; P1081-M1145 HydrophobicContact CB-SD 4.25Å; P1081-M1145 HydrophobicContact CG-CG 4.02Å; P1081-M1145 HydrophobicContact CG-SD 4.19Å
1082V84.8Confident88.2Confident106 Ų10630.3 Ų30.364%0.64214%0.144SC*.THydrogen-bonded Turntrans-56.3130.2177.1-177.90000111.3E911 F1084 R1087E911-V1082 HydrophobicContact CG-CB 4.46Å; E911-V1082 HydrophobicContact CG-CG2 3.71Å; E911-V1082 WeakPolarHBondContact OE2-CA 3.34Å; V1082-F1084 VanDerWaalsContact C-N 3.31Å; V1082-R1087 PolarHBondContact O-NH1 2.93Å
1083G86.5Confident88.5Confident16 Ų1630.8 Ų30.817%0.16515%0.15CC..THydrogen-bonded Turntrans80.58.1179.400000114.4P1081 Y1085 Q1086 R1087P1081-G1083 PolarHBondContact O-N 3.42Å; G1083-Y1085 PolarHBondContact O-N 3.32Å; G1083-Q1086 PolarHBondContact O-N 3.15Å; G1083-Q1086 PolarHBondContact O-OE1 3.45Å; G1083-R1087 WeakPolarHBondContact O-CG 3.41Å; G1083-R1087 PolarHBondContact O-N 3.2Å
1084F91.3Very high88.8Confident0 Ų031.9 Ų31.90%016%0.155CC..Hα-helixtrans-53.7-53.7-176.7173.9-100000112V1080 P1081 V1082 Q1086 R1087 V1088 V1124 L1128 V1141 I1144 M1145V1080-F1084 HydrophobicContact CB-CB 4.02Å; V1080-F1084 HydrophobicContact CB-CD1 4.03Å; V1080-F1084 HydrophobicContact CB-CG 3.98Å; V1080-F1084 HydrophobicContact CG1-CD1 4.07Å; V1080-F1084 HydrophobicContact CG1-CE1 4.29Å; V1080-F1084 HydrophobicContact CG1-CG 4.42Å; V1080-F1084 HydrophobicContact CG2-CB 3.93Å; V1080-F1084 HydrophobicContact CG2-CD1 4.09Å; V1080-F1084 HydrophobicContact CG2-CG 4.22Å; P1081-F1084 WeakPolarHBondContact O-CB 3.4Å; P1081-F1084 PolarHBondContact O-N 3.01Å; V1082-F1084 VanDerWaalsContact C-N 3.31Å; F1084-Q1086 PolarHBondContact O-N 2.71Å; F1084-R1087 WeakPolarHBondContact O-CB 3.42Å; F1084-R1087 PolarHBondContact O-N 3.11Å; F1084-R1087 VanDerWaalsContact O-N 3.11Å; F1084-V1088 HydrophobicContact CD1-CG2 4.18Å; F1084-V1088 HydrophobicContact CD2-CG2 4.42Å; F1084-V1088 HydrophobicContact CE1-CG2 3.81Å; F1084-V1088 HydrophobicContact CE2-CG2 4.08Å; F1084-V1088 HydrophobicContact CG-CG2 4.46Å; F1084-V1088 HydrophobicContact CZ-CG2 3.75Å; F1084-V1088 WeakPolarHBondContact O-CG2 3.43Å; F1084-V1088 PolarHBondContact O-N 2.69Å; F1084-V1124 HydrophobicContact CE1-CG1 3.98Å; F1084-L1128 HydrophobicContact CE1-CD1 3.83Å; F1084-L1128 HydrophobicContact CZ-CD1 3.99Å; F1084-V1141 HydrophobicContact CD2-CG1 4.27Å; F1084-V1141 HydrophobicContact CE2-CG1 3.94Å; F1084-V1141 HydrophobicContact CZ-CG1 4.47Å; F1084-I1144 HydrophobicContact CE2-CB 3.98Å; F1084-I1144 HydrophobicContact CE2-CG2 3.58Å; F1084-I1144 HydrophobicContact CZ-CB 4.26Å; F1084-I1144 HydrophobicContact CZ-CD1 4.19Å; F1084-I1144 HydrophobicContact CZ-CG2 3.79Å; F1084-M1145 HydrophobicContact CD2-CG 4.06Å; F1084-M1145 HydrophobicContact CD2-SD 3.61Å; F1084-M1145 HydrophobicContact CE2-CG 4.36Å; F1084-M1145 HydrophobicContact CE2-SD 4.37Å
1085Y92.4Very high89.1Confident15 Ų1531.3 Ų31.36%0.05915%0.152CC..Hα-helixtrans-63.9-42.6-175.8-55.3-73000112.7L913 V1080 G1083 R1087 V1088 W1089 F1120 A1121 V1124 E1125L913-Y1085 HydrophobicContact CD1-CD2 4.14Å; L913-Y1085 HydrophobicContact CD1-CE1 4.23Å; L913-Y1085 HydrophobicContact CD1-CE2 3.41Å; L913-Y1085 VanDerWaalsContact CD1-CE2 3.41Å; L913-Y1085 VanDerWaalsContact CD1-CZ 3.46Å; L913-Y1085 WeakPolarHBondContact CD1-OH 3.49Å; L913-Y1085 HydrophobicContact CG-CE2 3.98Å; V1080-Y1085 HydrophobicContact CG2-CD2 4.46Å; V1080-Y1085 HydrophobicContact CG2-CE2 3.63Å; G1083-Y1085 PolarHBondContact O-N 3.32Å; Y1085-R1087 PolarHBondContact O-N 3.35Å; Y1085-V1088 PolarHBondContact O-N 3.23Å; Y1085-V1088 VanDerWaalsContact O-N 3.14Å; Y1085-W1089 PolarHBondContact O-N 3.42Å; Y1085-F1120 VanDerWaalsContact O-CE1 3.31Å; Y1085-F1120 WeakPolarHBondContact O-CE1 3.22Å; Y1085-A1121 HydrophobicContact CD1-CB 3.81Å; Y1085-A1121 HydrophobicContact CD2-CB 3.75Å; Y1085-A1121 HydrophobicContact CE1-CB 4.28Å; Y1085-A1121 WeakPolarHBondContact CE1-O 3.42Å; Y1085-A1121 HydrophobicContact CE2-CB 4.22Å; Y1085-A1121 HydrophobicContact CG-CB 3.52Å; Y1085-V1124 HydrophobicContact CD1-CB 3.85Å; Y1085-V1124 HydrophobicContact CD1-CG1 3.91Å; Y1085-V1124 HydrophobicContact CD1-CG2 4.33Å; Y1085-V1124 HydrophobicContact CE1-CB 4.09Å; Y1085-V1124 HydrophobicContact CE1-CG1 4.05Å; Y1085-E1125 HydrophobicContact CE1-CB 4.35Å; Y1085-E1125 PolarHBondContact OH-OE2 3.48Å
1086Q91.7Very high89.2Confident78 Ų7837 Ų3736%0.36418%0.179SC..Hα-helixtrans-60.1-36.9175.5-65.287.1-400111.7G1083 F1084 W1089 K1090G1083-Q1086 PolarHBondContact O-N 3.15Å; G1083-Q1086 PolarHBondContact O-OE1 3.45Å; F1084-Q1086 PolarHBondContact O-N 2.71Å; Q1086-W1089 WeakPolarHBondContact O-CB 3.23Å; Q1086-W1089 PolarHBondContact O-N 3.44Å; Q1086-K1090 WeakPolarHBondContact O-CG 3.45Å; Q1086-K1090 PolarHBondContact O-N 2.84Å
1087R91.7Very high89.7Confident96 Ų9637 Ų3736%0.36218%0.179SC..Hα-helixtrans-70.5-38.5176.8-68.6-179.8-173122.85.9112.1V1082 G1083 F1084 Y1085 W1089 K1090 I1091 M1145 T1148V1082-R1087 PolarHBondContact O-NH1 2.93Å; G1083-R1087 WeakPolarHBondContact O-CG 3.41Å; G1083-R1087 PolarHBondContact O-N 3.2Å; F1084-R1087 WeakPolarHBondContact O-CB 3.42Å; F1084-R1087 PolarHBondContact O-N 3.11Å; F1084-R1087 VanDerWaalsContact O-N 3.11Å; Y1085-R1087 PolarHBondContact O-N 3.35Å; R1087-W1089 VanDerWaalsContact C-N 3.29Å; R1087-W1089 PolarHBondContact O-N 3.05Å; R1087-K1090 PolarHBondContact O-N 3.03Å; R1087-I1091 PolarHBondContact O-N 3.26Å; R1087-I1091 VanDerWaalsContact O-N 3.08Å; R1087-M1145 VanDerWaalsContact NH1-CE 3.33Å; R1087-T1148 HydrophobicContact CB-CG2 3.7Å
1088V93.4Very high90.2Very high1 Ų137 Ų371%0.00618%0.179CC..Hα-helixtrans-60-41.7172.3175.70000110.8F1084 Y1085 K1090 I1091 L1092 L1098 L1105 F1120 V1124 I1144F1084-V1088 HydrophobicContact CD1-CG2 4.18Å; F1084-V1088 HydrophobicContact CD2-CG2 4.42Å; F1084-V1088 HydrophobicContact CE1-CG2 3.81Å; F1084-V1088 HydrophobicContact CE2-CG2 4.08Å; F1084-V1088 HydrophobicContact CG-CG2 4.46Å; F1084-V1088 HydrophobicContact CZ-CG2 3.75Å; F1084-V1088 WeakPolarHBondContact O-CG2 3.43Å; F1084-V1088 PolarHBondContact O-N 2.69Å; Y1085-V1088 PolarHBondContact O-N 3.23Å; Y1085-V1088 VanDerWaalsContact O-N 3.14Å; V1088-K1090 PolarHBondContact O-N 3.27Å; V1088-I1091 WeakPolarHBondContact O-CG2 3.44Å; V1088-I1091 PolarHBondContact O-N 3.15Å; V1088-L1092 HydrophobicContact CG1-CD1 4.15Å; V1088-L1092 HydrophobicContact CG1-CG 4.47Å; V1088-L1092 WeakPolarHBondContact O-CG 3.44Å; V1088-L1092 PolarHBondContact O-N 3.23Å; V1088-L1098 HydrophobicContact CG1-CD1 4.05Å; V1088-L1105 HydrophobicContact CG1-CD2 4.12Å; V1088-F1120 HydrophobicContact CG1-CZ 4.18Å; V1088-V1124 HydrophobicContact CG1-CG1 4.19Å; V1088-V1124 HydrophobicContact CG1-CG2 3.93Å; V1088-I1144 HydrophobicContact CG2-CG2 3.62Å
1089W94Very high90.4Very high29 Ų2937.2 Ų37.211%0.1118%0.18CC..Hα-helixtrans-59.1-46.3175.4-170.796.1000111.7Y1085 Q1086 R1087 I1091 L1092 Q1093 T1110 M1113 A1115 F1120Y1085-W1089 PolarHBondContact O-N 3.42Å; Q1086-W1089 WeakPolarHBondContact O-CB 3.23Å; Q1086-W1089 PolarHBondContact O-N 3.44Å; R1087-W1089 VanDerWaalsContact C-N 3.29Å; R1087-W1089 PolarHBondContact O-N 3.05Å; W1089-I1091 PolarHBondContact O-N 3.08Å; W1089-L1092 PolarHBondContact O-N 3.48Å; W1089-Q1093 HydrophobicContact CD2-CG 4.5Å; W1089-Q1093 HydrophobicContact CE3-CG 4.11Å; W1089-Q1093 HydrophobicContact CH2-CG 4.19Å; W1089-Q1093 HydrophobicContact CZ3-CG 3.98Å; W1089-Q1093 PolarHBondContact O-N 3.33Å; W1089-T1110 HydrophobicContact CD2-CG2 4.4Å; W1089-T1110 HydrophobicContact CG-CG2 4.29Å; W1089-M1113 PolarHBondContact NE1-O 3.2Å; W1089-A1115 HydrophobicContact CB-CB 4.05Å; W1089-A1115 HydrophobicContact CD2-CB 3.65Å; W1089-A1115 HydrophobicContact CE3-CB 3.77Å; W1089-A1115 HydrophobicContact CG-CB 3.77Å; W1089-A1115 HydrophobicContact CZ3-CB 4.37Å; W1089-F1120 HydrophobicContact CB-CD1 4.24Å; W1089-F1120 HydrophobicContact CB-CE1 3.59Å; W1089-F1120 HydrophobicContact CB-CE2 4.36Å; W1089-F1120 HydrophobicContact CB-CZ 3.65Å; W1089-F1120 AromaticContact CD1-CD2 3.8Å; W1089-F1120 AromaticContact CD1-CE2 3.69Å; W1089-F1120 AromaticContact CD1-CZ 3.87Å; W1089-F1120 HydrophobicContact CG-CE1 4.3Å; W1089-F1120 HydrophobicContact CG-CE2 4.39Å; W1089-F1120 HydrophobicContact CG-CZ 4.15Å
1090K91.3Very high90.7Very high103 Ų10335.7 Ų35.745%0.44817%0.174SC..Hα-helixtrans-62.5-41.3178.9-70.6179.4179.2-172.20113.3Q1086 R1087 V1088 Q1093Q1086-K1090 WeakPolarHBondContact O-CG 3.45Å; Q1086-K1090 PolarHBondContact O-N 2.84Å; R1087-K1090 PolarHBondContact O-N 3.03Å; V1088-K1090 PolarHBondContact O-N 3.27Å; K1090-Q1093 WeakPolarHBondContact O-CB 3.41Å; K1090-Q1093 PolarHBondContact O-N 3.3Å
1091I90.9Very high90.5Very high0 Ų039.1 Ų39.10%019%0.192CC..Hα-helixtrans-70.1-35.7178.7-169.965.6000111.6R1087 V1088 W1089 Q1093 K1094 C1095 L1098 T1148 L1150 I1158R1087-I1091 PolarHBondContact O-N 3.26Å; R1087-I1091 VanDerWaalsContact O-N 3.08Å; V1088-I1091 WeakPolarHBondContact O-CG2 3.44Å; V1088-I1091 PolarHBondContact O-N 3.15Å; W1089-I1091 PolarHBondContact O-N 3.08Å; I1091-Q1093 PolarHBondContact O-N 2.96Å; I1091-K1094 PolarHBondContact O-N 3.04Å; I1091-C1095 PolarHBondContact O-N 3.48Å; I1091-L1098 HydrophobicContact CG2-CD1 4.12Å; I1091-T1148 HydrophobicContact CG2-CG2 4.45Å; I1091-L1150 HydrophobicContact CD1-CB 4.14Å; I1091-I1158 HydrophobicContact CD1-CD1 3.43Å; I1091-I1158 VanDerWaalsContact CD1-CD1 3.43Å
1092L92.2Very high90.4Very high0 Ų040.8 Ų40.80%022%0.215CC..Hα-helixtrans-62.3-26.6174.6-77.2172.1000113.2V1088 W1089 K1094 C1095 L1098 L1105 S1107 T1110 F1120V1088-L1092 HydrophobicContact CG1-CD1 4.15Å; V1088-L1092 HydrophobicContact CG1-CG 4.47Å; V1088-L1092 WeakPolarHBondContact O-CG 3.44Å; V1088-L1092 PolarHBondContact O-N 3.23Å; W1089-L1092 PolarHBondContact O-N 3.48Å; L1092-K1094 PolarHBondContact O-N 2.88Å; L1092-C1095 VanDerWaalsContact O-O 3.11Å; L1092-L1098 HydrophobicContact CD2-CB 4.4Å; L1092-L1098 HydrophobicContact CD2-CD1 4.26Å; L1092-L1098 HydrophobicContact CD2-CG 3.82Å; L1092-L1098 HydrophobicContact CG-CD1 4.43Å; L1092-L1098 HydrophobicContact CG-CG 4.48Å; L1092-L1105 HydrophobicContact CD1-CD2 3.68Å; L1092-L1105 HydrophobicContact CD1-CG 3.83Å; L1092-L1105 HydrophobicContact CD2-CD2 4.41Å; L1092-L1105 HydrophobicContact CD2-CG 4.19Å; L1092-L1105 WeakPolarHBondContact CD2-O 3.47Å; L1092-S1107 WeakPolarHBondContact O-CB 3.45Å; L1092-T1110 HydrophobicContact CB-CG2 3.71Å; L1092-T1110 HydrophobicContact CD1-CG2 4.45Å; L1092-F1120 HydrophobicContact CD1-CE2 3.87Å; L1092-F1120 HydrophobicContact CD1-CZ 3.79Å
1093Q89.9Confident90.6Very high98 Ų9841.1 Ų41.146%0.45821%0.206SC..THydrogen-bonded Turntrans-67.3-19.9172.3-64.2-168.9-65.700113.1W1089 K1090 I1091 T1110W1089-Q1093 HydrophobicContact CD2-CG 4.5Å; W1089-Q1093 HydrophobicContact CE3-CG 4.11Å; W1089-Q1093 HydrophobicContact CH2-CG 4.19Å; W1089-Q1093 HydrophobicContact CZ3-CG 3.98Å; W1089-Q1093 PolarHBondContact O-N 3.33Å; K1090-Q1093 WeakPolarHBondContact O-CB 3.41Å; K1090-Q1093 PolarHBondContact O-N 3.3Å; I1091-Q1093 PolarHBondContact O-N 2.96Å; Q1093-T1110 HydrophobicContact CG-CG2 4.19Å
1094K88.2Confident90.9Very high34 Ų3443.5 Ų43.515%0.14822%0.217CC..THydrogen-bonded Turntrans-102.3-11.8-176.2-61-167.9177-162.60114I1091 L1092 L1150 S1151 T1153 M1155 I1158 G1159I1091-K1094 PolarHBondContact O-N 3.04Å; L1092-K1094 PolarHBondContact O-N 2.88Å; K1094-L1150 PolarHBondContact NZ-O 3.47Å; K1094-S1151 WeakPolarHBondContact CE-O 3.45Å; K1094-S1151 PolarHBondContact NZ-O 2.98Å; K1094-T1153 PolarHBondContact NZ-O 3.4Å; K1094-M1155 WeakPolarHBondContact CE-O 3.14Å; K1094-M1155 PolarHBondContact NZ-O 2.97Å; K1094-I1158 HydrophobicContact CB-CD1 4.24Å; K1094-I1158 HydrophobicContact CB-CG1 4.29Å; K1094-I1158 PolarHBondContact O-N 3.28Å; K1094-G1159 PolarHBondContact O-N 3.43Å
1095C89.3Confident91Very high9 Ų943.5 Ų43.56%0.06122%0.217CC..SBendtrans-125.3174.6178.7670000112.2I1091 L1092 S1107 I1162I1091-C1095 PolarHBondContact O-N 3.48Å; L1092-C1095 VanDerWaalsContact O-O 3.11Å; C1095-S1107 WeakPolarHBondContact O-CB 3.48Å; C1095-I1162 HydrophobicContact CB-CD1 3.92Å; C1095-I1162 HydrophobicContact CB-CG1 4.22Å
1096H90.1Very high91Very high120 Ų12045 Ų4556%0.55623%0.228SC*.SBendtrans-79.7-22.6173.8-62.889.9000112.4S1107 G1160 I1161H1096-S1107 PolarHBondContact O-N 3.39Å; H1096-S1107 PolarHBondContact O-OG 2.88Å; H1096-G1160 VanDerWaalsContact CB-O 3.29Å; H1096-G1160 WeakPolarHBondContact CB-O 3.43Å; H1096-G1160 PolarHBondContact N-O 3.43Å; H1096-G1160 WeakPolarHBondContact ND1-CA 3.36Å; H1096-G1160 PolarHBondContact ND1-N 2.73Å; H1096-G1160 PolarHBondContact ND1-O 3.15Å; H1096-I1161 HydrophobicContact CB-CG1 4.25Å
1097G92.2Very high90.9Very high0 Ų042.9 Ų42.90%022%0.222CC..EExtended strand (participates in β ladder)trans169.6169.3175.300000112.8L1105 I1161 I1162G1097-L1105 CarbonylContact C-O 3.6Å; G1097-L1105 WeakPolarHBondContact CA-O 3.26Å; G1097-I1161 WeakPolarHBondContact O-CA 3.4Å; G1097-I1162 PolarHBondContact O-N 2.9Å
1098L93.7Very high90.8Very high1 Ų140.3 Ų40.31%0.00522%0.219CC..EExtended strand (participates in β ladder)trans-108.4122.5171.3-61178.4000108.8V1088 I1091 L1092 L1105 I1162V1088-L1098 HydrophobicContact CG1-CD1 4.05Å; I1091-L1098 HydrophobicContact CG2-CD1 4.12Å; L1092-L1098 HydrophobicContact CD2-CB 4.4Å; L1092-L1098 HydrophobicContact CD2-CD1 4.26Å; L1092-L1098 HydrophobicContact CD2-CG 3.82Å; L1092-L1098 HydrophobicContact CG-CD1 4.43Å; L1092-L1098 HydrophobicContact CG-CG 4.48Å; L1098-L1105 HydrophobicContact CB-CB 4.48Å; L1098-L1105 PolarHBondContact N-O 3.19Å; L1098-L1105 PolarHBondContact O-N 3.11Å; L1098-I1162 HydrophobicContact CD2-CB 3.94Å; L1098-I1162 HydrophobicContact CD2-CD1 4.18Å; L1098-I1162 HydrophobicContact CD2-CG1 4.5Å; L1098-I1162 HydrophobicContact CD2-CG2 4.48Å
1099S93.4Very high90.6Very high4 Ų440.5 Ų40.53%0.02822%0.22CC..EExtended strand (participates in β ladder)trans-95.1123.5173.8179.10000110Y1103 I1162 H1163 V1164S1099-Y1103 CarbonylContact C-O 3.57Å; S1099-Y1103 VanDerWaalsContact CA-O 3.27Å; S1099-Y1103 WeakPolarHBondContact CA-O 3.44Å; S1099-I1162 PolarHBondContact N-O 3.29Å; S1099-H1163 VanDerWaalsContact CB-ND1 3.34Å; S1099-H1163 WeakPolarHBondContact CB-ND1 3.47Å; S1099-H1163 PolarHBondContact OG-ND1 3.06Å; S1099-V1164 WeakPolarHBondContact O-CG2 3.48Å; S1099-V1164 PolarHBondContact O-N 3.49Å
1100I92.6Very high90.4Very high2 Ų239.7 Ų39.71%0.0122%0.219CC..EExtended strand (participates in β ladder)trans-130.8120.2178.7-55.8170.8000107.1G1102 Y1103 V1127 L1128 V1131 L1140 I1144 V1164 D1165I1100-G1102 PolarHBondContact O-N 3.18Å; I1100-Y1103 PolarHBondContact N-O 2.97Å; I1100-Y1103 PolarHBondContact O-N 2.72Å; I1100-V1127 HydrophobicContact CB-CG1 3.89Å; I1100-V1127 HydrophobicContact CD1-CG1 4.01Å; I1100-V1127 HydrophobicContact CG1-CG1 4.36Å; I1100-L1128 HydrophobicContact CD1-CD2 3.83Å; I1100-L1128 HydrophobicContact CD1-CG 4.26Å; I1100-L1128 HydrophobicContact CG2-CD2 4.3Å; I1100-V1131 HydrophobicContact CG2-CG2 4.22Å; I1100-L1140 HydrophobicContact CG2-CD1 4.02Å; I1100-I1144 HydrophobicContact CD1-CD1 3.72Å; I1100-I1144 HydrophobicContact CG1-CD1 4.49Å; I1100-V1164 HydrophobicContact CG1-CB 4.27Å; I1100-V1164 HydrophobicContact CG1-CG2 4Å; I1100-D1165 WeakPolarHBondContact CA-OD2 3.34Å
1101D85.2Confident90.2Very high79 Ų7938.6 Ų38.642%0.42222%0.215SC..THydrogen-bonded Turntrans49.744.9-177.9-163.430.3000112.6Y1103 V1131 D1165D1101-Y1103 VanDerWaalsContact O-CD2 3.29Å; D1101-Y1103 WeakPolarHBondContact O-CD2 3.39Å; D1101-Y1103 PolarHBondContact O-N 2.85Å; D1101-Y1103 VanDerWaalsContact O-N 3.17Å; D1101-V1131 HydrophobicContact CB-CG2 4.36Å; D1101-D1165 PolarHBondContact N-OD2 2.8Å
1102G84.1Confident89.9Confident66 Ų6641.1 Ų41.168%0.6823%0.227SC*.THydrogen-bonded Turntrans77.2-8.1-179.200000115.6I1100I1100-G1102 PolarHBondContact O-N 3.18Å
1103Y89.3Confident89.9Confident113 Ų11341.8 Ų41.844%0.44323%0.23SC..EExtended strand (participates in β ladder)trans-96.4133.6176.5-69.1-81.4000111.9S1099 I1100 D1101S1099-Y1103 CarbonylContact C-O 3.57Å; S1099-Y1103 VanDerWaalsContact CA-O 3.27Å; S1099-Y1103 WeakPolarHBondContact CA-O 3.44Å; I1100-Y1103 PolarHBondContact N-O 2.97Å; I1100-Y1103 PolarHBondContact O-N 2.72Å; D1101-Y1103 VanDerWaalsContact O-CD2 3.29Å; D1101-Y1103 WeakPolarHBondContact O-CD2 3.39Å; D1101-Y1103 PolarHBondContact O-N 2.85Å; D1101-Y1103 VanDerWaalsContact O-N 3.17Å
1104V92Very high89.9Confident65 Ų6537.7 Ų37.739%0.39421%0.212SC..EExtended strand (participates in β ladder)trans-97.6123.9-178.2-176.80000109.4P1106 I1161V1104-P1106 VanDerWaalsContact O-CD 3.28Å; V1104-P1106 WeakPolarHBondContact O-CD 3.49Å; V1104-I1161 HydrophobicContact CG1-CD1 4.23Å; V1104-I1161 HydrophobicContact CG1-CG1 4.5Å; V1104-I1161 HydrophobicContact CG1-CG2 4.3Å; V1104-I1161 HydrophobicContact CG2-CD1 4.28Å; V1104-I1161 HydrophobicContact CG2-CG2 4.31Å
1105L93.3Very high89.9Confident1 Ų137.1 Ų37.11%0.00521%0.213CC..EExtended strand (participates in β ladder)trans-86.6101.7162.317962.6000107.8V1088 L1092 G1097 L1098 T1109 H1123 V1124V1088-L1105 HydrophobicContact CG1-CD2 4.12Å; L1092-L1105 HydrophobicContact CD1-CD2 3.68Å; L1092-L1105 HydrophobicContact CD1-CG 3.83Å; L1092-L1105 HydrophobicContact CD2-CD2 4.41Å; L1092-L1105 HydrophobicContact CD2-CG 4.19Å; L1092-L1105 WeakPolarHBondContact CD2-O 3.47Å; G1097-L1105 CarbonylContact C-O 3.6Å; G1097-L1105 WeakPolarHBondContact CA-O 3.26Å; L1098-L1105 HydrophobicContact CB-CB 4.48Å; L1098-L1105 PolarHBondContact N-O 3.19Å; L1098-L1105 PolarHBondContact O-N 3.11Å; L1105-T1109 HydrophobicContact CD1-CG2 4.48Å; L1105-H1123 WeakPolarHBondContact CD1-CD2 3.3Å; L1105-V1124 HydrophobicContact CD2-CG2 3.89Å
1106P92.4Very high89.9Confident45 Ų4539.5 Ų39.529%0.29223%0.229SC..EExtended strand (participates in β ladder)trans-77.9154.3-170.932.6-35.7000111.6V1104 S1108 T1109V1104-P1106 VanDerWaalsContact O-CD 3.28Å; V1104-P1106 WeakPolarHBondContact O-CD 3.49Å; P1106-S1108 WeakPolarHBondContact CG-OG 3.44Å; P1106-S1108 PolarHBondContact O-N 3.45Å; P1106-T1109 WeakPolarHBondContact O-CB 3.44Å; P1106-T1109 PolarHBondContact O-N 3.33Å; P1106-T1109 PolarHBondContact O-OG1 3.41Å
1107S90.1Very high89.9Confident34 Ų3434 Ų3424%0.23820%0.204CC..THydrogen-bonded Turntrans-65.8-21.9174.762.90000113.5L1092 C1095 H1096 T1109 T1110L1092-S1107 WeakPolarHBondContact O-CB 3.45Å; C1095-S1107 WeakPolarHBondContact O-CB 3.48Å; H1096-S1107 PolarHBondContact O-N 3.39Å; H1096-S1107 PolarHBondContact O-OG 2.88Å; S1107-T1109 PolarHBondContact O-N 3.25Å; S1107-T1109 VanDerWaalsContact O-N 3.15Å; S1107-T1110 WeakPolarHBondContact O-CB 3.44Å; S1107-T1110 PolarHBondContact O-N 3.46Å; S1107-T1110 PolarHBondContact O-OG1 3.34Å
1108S88.8Confident89.7Confident43 Ų4335.3 Ų35.330%0.30121%0.211SC..THydrogen-bonded Turntrans-56.1-27.5172.759.90000112.8P1106 T1110 Q1111 E1112P1106-S1108 WeakPolarHBondContact CG-OG 3.44Å; P1106-S1108 PolarHBondContact O-N 3.45Å; S1108-T1110 PolarHBondContact O-N 3.29Å; S1108-T1110 VanDerWaalsContact O-N 3.1Å; S1108-Q1111 WeakPolarHBondContact O-CA 3.49Å; S1108-Q1111 VanDerWaalsContact O-CB 3.23Å; S1108-Q1111 WeakPolarHBondContact O-CB 3.5Å; S1108-Q1111 PolarHBondContact O-N 3.47Å; S1108-E1112 PolarHBondContact O-N 3.13Å
1109T88.9Confident89.5Confident4 Ų437.8 Ų37.83%0.02522%0.222CC..Hα-helixtrans-54.9-31.5174-420000112.2L1105 P1106 S1107 Q1111 E1112 M1113 F1120L1105-T1109 HydrophobicContact CD1-CG2 4.48Å; P1106-T1109 WeakPolarHBondContact O-CB 3.44Å; P1106-T1109 PolarHBondContact O-N 3.33Å; P1106-T1109 PolarHBondContact O-OG1 3.41Å; S1107-T1109 PolarHBondContact O-N 3.25Å; S1107-T1109 VanDerWaalsContact O-N 3.15Å; T1109-Q1111 VanDerWaalsContact C-N 3.28Å; T1109-Q1111 PolarHBondContact O-N 3.3Å; T1109-E1112 PolarHBondContact O-N 3.27Å; T1109-M1113 HydrophobicContact CG2-CE 4.43Å; T1109-M1113 HydrophobicContact CG2-SD 4.19Å; T1109-M1113 WeakPolarHBondContact O-CB 3.45Å; T1109-M1113 PolarHBondContact O-N 3.49Å; T1109-F1120 HydrophobicContact CG2-CD2 3.85Å; T1109-F1120 HydrophobicContact CG2-CE2 4.01Å
1110T89.9Confident89.4Confident13 Ų1337.6 Ų37.68%0.0822%0.22CC..Hα-helixtrans-74.9-17.9177.968.90000113.4R298 W1089 L1092 Q1093 S1107 S1108 M1113R298-T1110 PolarHBondContact NH1-O 3Å; W1089-T1110 HydrophobicContact CD2-CG2 4.4Å; W1089-T1110 HydrophobicContact CG-CG2 4.29Å; L1092-T1110 HydrophobicContact CB-CG2 3.71Å; L1092-T1110 HydrophobicContact CD1-CG2 4.45Å; Q1093-T1110 HydrophobicContact CG-CG2 4.19Å; S1107-T1110 WeakPolarHBondContact O-CB 3.44Å; S1107-T1110 PolarHBondContact O-N 3.46Å; S1107-T1110 PolarHBondContact O-OG1 3.34Å; S1108-T1110 PolarHBondContact O-N 3.29Å; S1108-T1110 VanDerWaalsContact O-N 3.1Å; T1110-M1113 CarbonylContact C-O 3.54Å
1111Q87.7Confident89.3Confident80 Ų8037.9 Ų37.937%0.37422%0.223SC..Hα-helixtrans-78.1-39.4172.2-55.6177.9000110.1R298 K319 S1108 T1109R298-Q1111 PolarHBondContact NH1-O 3Å; K319-Q1111 HydrophobicContact CB-CB 3.9Å; K319-Q1111 HydrophobicContact CB-CG 4.46Å; K319-Q1111 HydrophobicContact CG-CB 4.43Å; K319-Q1111 PolarHBondContact N-O 3.46Å; S1108-Q1111 WeakPolarHBondContact O-CA 3.49Å; S1108-Q1111 VanDerWaalsContact O-CB 3.23Å; S1108-Q1111 WeakPolarHBondContact O-CB 3.5Å; S1108-Q1111 PolarHBondContact O-N 3.47Å; T1109-Q1111 VanDerWaalsContact C-N 3.28Å; T1109-Q1111 PolarHBondContact O-N 3.3Å
1112E85.8Confident89.5Confident53 Ų5335.4 Ų35.425%0.24821%0.211CC..Hα-helixtrans-75.2-36.7177.3-69.6172-146.200112.6K189 P315 L318 S1108 T1109K189-E1112 WeakPolarHBondContact CE-O 3.41Å; K189-E1112 PolarHBondContact NZ-O 3.23Å; P315-E1112 HydrophobicContact CB-CG 3.74Å; P315-E1112 WeakPolarHBondContact CB-OE1 3.4Å; P315-E1112 VanDerWaalsContact O-CG 3.22Å; P315-E1112 WeakPolarHBondContact O-CG 3.03Å; L318-E1112 WeakPolarHBondContact CD1-O 3.38Å; S1108-E1112 PolarHBondContact O-N 3.13Å; T1109-E1112 PolarHBondContact O-N 3.27Å
1113M90.6Very high89.8Confident13 Ų1335.8 Ų35.86%0.06419%0.194CC..  trans-127.8149-167.3-53.7-177.6-162.400114.2R298 W1089 T1109 T1110 E1117 K1119 F1120R298-M1113 PolarHBondContact NH1-O 3.28Å; W1089-M1113 PolarHBondContact NE1-O 3.2Å; T1109-M1113 HydrophobicContact CG2-CE 4.43Å; T1109-M1113 HydrophobicContact CG2-SD 4.19Å; T1109-M1113 WeakPolarHBondContact O-CB 3.45Å; T1109-M1113 PolarHBondContact O-N 3.49Å; T1110-M1113 CarbonylContact C-O 3.54Å; M1113-E1117 VanDerWaalsContact CA-OE2 3.24Å; M1113-E1117 WeakPolarHBondContact CA-OE2 3.35Å; M1113-E1117 VanDerWaalsContact CB-OE2 3.29Å; M1113-E1117 WeakPolarHBondContact CB-OE2 3.49Å; M1113-K1119 HydrophobicContact CE-CD 3.94Å; M1113-K1119 HydrophobicContact CE-CG 3.85Å; M1113-K1119 HydrophobicContact SD-CB 4.08Å; M1113-K1119 HydrophobicContact SD-CD 4.25Å; M1113-K1119 HydrophobicContact SD-CG 3.84Å; M1113-F1120 HydrophobicContact CB-CB 3.93Å; M1113-F1120 HydrophobicContact CB-CD2 4.26Å; M1113-F1120 VanDerWaalsContact SD-CA 3.51Å; M1113-F1120 HydrophobicContact SD-CB 3.99Å; M1113-F1120 PolarHBondContact SD-N 2.72Å
1114T90.3Very high89.9Confident12 Ų1230.5 Ų30.57%0.07417%0.174CC..  trans-89.8166.6173.372.60000111.2E254 C1116 E1117E254-T1114 WeakPolarHBondContact OE2-CB 3.47Å; E254-T1114 PolarHBondContact OE2-OG1 2.76Å; T1114-C1116 VanDerWaalsContact C-N 3.3Å; T1114-C1116 PolarHBondContact O-N 3.02Å; T1114-E1117 WeakPolarHBondContact CG2-OE1 3.3Å; T1114-E1117 PolarHBondContact N-OE2 2.74Å; T1114-E1117 VanDerWaalsContact OG1-CD 3.23Å; T1114-E1117 VanDerWaalsContact OG1-CG 3.22Å; T1114-E1117 WeakPolarHBondContact OG1-CG 3.42Å; T1114-E1117 PolarHBondContact OG1-OE1 2.74Å
1115A89.4Confident89.8Confident22 Ų2227.5 Ų27.518%0.18216%0.155CC..THydrogen-bonded Turntrans-67.3-27.5-177.300000113.9W1089W1089-A1115 HydrophobicContact CB-CB 4.05Å; W1089-A1115 HydrophobicContact CD2-CB 3.65Å; W1089-A1115 HydrophobicContact CE3-CB 3.77Å; W1089-A1115 HydrophobicContact CG-CB 3.77Å; W1089-A1115 HydrophobicContact CZ3-CB 4.37Å
1116C89Confident89.6Confident59 Ų5929.8 Ų29.840%0.39917%0.172SC..THydrogen-bonded Turntrans-101.43.4-175-53.10000113.6E254 T1114E254-C1116 HydrophobicContact CB-CB 4.37Å; E254-C1116 WeakPolarHBondContact OE2-CB 3.46Å; T1114-C1116 VanDerWaalsContact C-N 3.3Å; T1114-C1116 PolarHBondContact O-N 3.02Å
1117E90Very high89.4Confident6 Ų628 Ų283%0.02816%0.16CC..  trans-74.6135.2174.7-82.4163.6-166.300112.4K189 S252 E254 M1113 T1114 K1119 F1120 A1121K189-E1117 WeakPolarHBondContact CE-OE1 3.3Å; K189-E1117 VanDerWaalsContact CE-OE2 3.25Å; K189-E1117 WeakPolarHBondContact CE-OE2 3.34Å; K189-E1117 IonicContact NZ-OE1 2.71Å; K189-E1117 PolarHBondContact NZ-OE1 3.5Å; K189-E1117 IonicContact NZ-OE2 3.33Å; K189-E1117 PolarHBondContact NZ-OE2 2.64Å; S252-E1117 VanDerWaalsContact O-CD 3.24Å; E254-E1117 HydrophobicContact CB-CG 4.32Å; M1113-E1117 VanDerWaalsContact CA-OE2 3.24Å; M1113-E1117 WeakPolarHBondContact CA-OE2 3.35Å; M1113-E1117 VanDerWaalsContact CB-OE2 3.29Å; M1113-E1117 WeakPolarHBondContact CB-OE2 3.49Å; T1114-E1117 WeakPolarHBondContact CG2-OE1 3.3Å; T1114-E1117 PolarHBondContact N-OE2 2.74Å; T1114-E1117 VanDerWaalsContact OG1-CD 3.23Å; T1114-E1117 VanDerWaalsContact OG1-CG 3.22Å; T1114-E1117 WeakPolarHBondContact OG1-CG 3.42Å; T1114-E1117 PolarHBondContact OG1-OE1 2.74Å; E1117-K1119 PolarHBondContact O-N 3.14Å; E1117-F1120 PolarHBondContact O-N 3.19Å; E1117-A1121 PolarHBondContact O-N 3.41Å
1118I87.6Confident89.4Confident26 Ų2626.3 Ų26.313%0.13315%0.148CC..Hα-helixtrans-65.6-32.7173.5-59.4-62.9000110.3T251 F1120 A1121 V1122T251-I1118 HydrophobicContact CG2-CB 4.08Å; T251-I1118 HydrophobicContact CG2-CG2 4.02Å; T251-I1118 PolarHBondContact O-N 2.94Å; I1118-F1120 VanDerWaalsContact C-N 3.27Å; I1118-F1120 PolarHBondContact O-N 2.97Å; I1118-A1121 PolarHBondContact O-N 2.94Å; I1118-A1121 VanDerWaalsContact O-N 3.12Å; I1118-V1122 HydrophobicContact CG2-CG2 3.83Å; I1118-V1122 WeakPolarHBondContact O-CB 3.37Å; I1118-V1122 VanDerWaalsContact O-CG2 3.3Å; I1118-V1122 WeakPolarHBondContact O-CG2 3.49Å; I1118-V1122 PolarHBondContact O-N 3.2Å
1119K88.4Confident89.3Confident54 Ų5424.9 Ų24.924%0.23514%0.137CC..Hα-helixtrans-54.6-43.1175.1-164.3178.3-176.3179.10111.7D188 T251 M1113 E1117 H1123D188-K1119 IonicContact OD2-NZ 3.95Å; D188-K1119 PolarHBondContact OD2-NZ 3.27Å; T251-K1119 HydrophobicContact CG2-CB 4.19Å; T251-K1119 PolarHBondContact O-N 3.2Å; M1113-K1119 HydrophobicContact CE-CD 3.94Å; M1113-K1119 HydrophobicContact CE-CG 3.85Å; M1113-K1119 HydrophobicContact SD-CB 4.08Å; M1113-K1119 HydrophobicContact SD-CD 4.25Å; M1113-K1119 HydrophobicContact SD-CG 3.84Å; E1117-K1119 PolarHBondContact O-N 3.14Å; K1119-H1123 WeakPolarHBondContact O-CB 3.34Å; K1119-H1123 PolarHBondContact O-N 3.35Å
1120F91.8Very high89.1Confident0 Ų029.8 Ų29.80%016%0.155CC..Hα-helixtrans-64.8-48.9175.5177.6-97.1000111.4Y1085 V1088 W1089 L1092 T1109 M1113 E1117 I1118 V1122 H1123 V1124Y1085-F1120 VanDerWaalsContact O-CE1 3.31Å; Y1085-F1120 WeakPolarHBondContact O-CE1 3.22Å; V1088-F1120 HydrophobicContact CG1-CZ 4.18Å; W1089-F1120 HydrophobicContact CB-CD1 4.24Å; W1089-F1120 HydrophobicContact CB-CE1 3.59Å; W1089-F1120 HydrophobicContact CB-CE2 4.36Å; W1089-F1120 HydrophobicContact CB-CZ 3.65Å; W1089-F1120 AromaticContact CD1-CD2 3.8Å; W1089-F1120 AromaticContact CD1-CE2 3.69Å; W1089-F1120 AromaticContact CD1-CZ 3.87Å; W1089-F1120 HydrophobicContact CG-CE1 4.3Å; W1089-F1120 HydrophobicContact CG-CE2 4.39Å; W1089-F1120 HydrophobicContact CG-CZ 4.15Å; L1092-F1120 HydrophobicContact CD1-CE2 3.87Å; L1092-F1120 HydrophobicContact CD1-CZ 3.79Å; T1109-F1120 HydrophobicContact CG2-CD2 3.85Å; T1109-F1120 HydrophobicContact CG2-CE2 4.01Å; M1113-F1120 HydrophobicContact CB-CB 3.93Å; M1113-F1120 HydrophobicContact CB-CD2 4.26Å; M1113-F1120 VanDerWaalsContact SD-CA 3.51Å; M1113-F1120 HydrophobicContact SD-CB 3.99Å; M1113-F1120 PolarHBondContact SD-N 2.72Å; E1117-F1120 PolarHBondContact O-N 3.19Å; I1118-F1120 VanDerWaalsContact C-N 3.27Å; I1118-F1120 PolarHBondContact O-N 2.97Å; F1120-V1122 VanDerWaalsContact C-N 3.34Å; F1120-V1122 PolarHBondContact O-N 3.01Å; F1120-H1123 WeakPolarHBondContact O-CB 3.48Å; F1120-H1123 PolarHBondContact O-N 3.32Å; F1120-H1123 VanDerWaalsContact O-N 3.09Å; F1120-V1124 HydrophobicContact CD1-CG2 4.14Å; F1120-V1124 HydrophobicContact CE1-CG2 3.56Å; F1120-V1124 HydrophobicContact CE2-CG2 4.21Å; F1120-V1124 HydrophobicContact CZ-CG2 3.61Å; F1120-V1124 WeakPolarHBondContact O-CG2 3.31Å; F1120-V1124 PolarHBondContact O-N 2.75Å
1121A90.7Very high88.9Confident8 Ų829.3 Ų29.37%0.06615%0.152CC..Hα-helixtrans-60.4-42.8-179.700000112.2L913 Y1085 E1117 I1118 H1123 V1124 E1125L913-A1121 HydrophobicContact CD1-CB 3.53Å; Y1085-A1121 HydrophobicContact CD1-CB 3.81Å; Y1085-A1121 HydrophobicContact CD2-CB 3.75Å; Y1085-A1121 HydrophobicContact CE1-CB 4.28Å; Y1085-A1121 WeakPolarHBondContact CE1-O 3.42Å; Y1085-A1121 HydrophobicContact CE2-CB 4.22Å; Y1085-A1121 HydrophobicContact CG-CB 3.52Å; E1117-A1121 PolarHBondContact O-N 3.41Å; I1118-A1121 PolarHBondContact O-N 2.94Å; I1118-A1121 VanDerWaalsContact O-N 3.12Å; A1121-H1123 VanDerWaalsContact C-N 3.32Å; A1121-H1123 PolarHBondContact O-N 2.77Å; A1121-V1124 PolarHBondContact O-N 3.37Å; A1121-E1125 VanDerWaalsContact O-CB 3.22Å; A1121-E1125 WeakPolarHBondContact O-CB 3.47Å; A1121-E1125 PolarHBondContact O-N 2.97Å
1122V88.9Confident88.5Confident27 Ų2727.5 Ų27.516%0.16415%0.149CC..Hα-helixtrans-62.7-36.7174.3169.50000111.6I1118 F1120 E1125 S1126I1118-V1122 HydrophobicContact CG2-CG2 3.83Å; I1118-V1122 WeakPolarHBondContact O-CB 3.37Å; I1118-V1122 VanDerWaalsContact O-CG2 3.3Å; I1118-V1122 WeakPolarHBondContact O-CG2 3.49Å; I1118-V1122 PolarHBondContact O-N 3.2Å; F1120-V1122 VanDerWaalsContact C-N 3.34Å; F1120-V1122 PolarHBondContact O-N 3.01Å; V1122-E1125 PolarHBondContact O-N 3.47Å; V1122-S1126 WeakPolarHBondContact O-CB 3.49Å; V1122-S1126 PolarHBondContact O-N 3.27Å
1123H90.1Very high88.5Confident73 Ų7327.8 Ų27.834%0.33815%0.15SC..Hα-helixtrans-67.4-46.3177-170.259.6000111.9L1105 K1119 F1120 A1121 E1125 S1126 V1127L1105-H1123 WeakPolarHBondContact CD1-CD2 3.3Å; K1119-H1123 WeakPolarHBondContact O-CB 3.34Å; K1119-H1123 PolarHBondContact O-N 3.35Å; F1120-H1123 WeakPolarHBondContact O-CB 3.48Å; F1120-H1123 PolarHBondContact O-N 3.32Å; F1120-H1123 VanDerWaalsContact O-N 3.09Å; A1121-H1123 VanDerWaalsContact C-N 3.32Å; A1121-H1123 PolarHBondContact O-N 2.77Å; H1123-E1125 VanDerWaalsContact C-N 3.29Å; H1123-E1125 PolarHBondContact O-N 3.43Å; H1123-S1126 WeakPolarHBondContact O-CB 3.43Å; H1123-S1126 PolarHBondContact O-N 2.83Å; H1123-V1127 PolarHBondContact O-N 3.28Å
1124V92.1Very high88.4Confident2 Ų228.2 Ų28.21%0.01215%0.154CC..Hα-helixtrans-56.9-46.1172.4177.30000110.6F1084 Y1085 V1088 L1105 F1120 A1121 S1126 V1127 L1128F1084-V1124 HydrophobicContact CE1-CG1 3.98Å; Y1085-V1124 HydrophobicContact CD1-CB 3.85Å; Y1085-V1124 HydrophobicContact CD1-CG1 3.91Å; Y1085-V1124 HydrophobicContact CD1-CG2 4.33Å; Y1085-V1124 HydrophobicContact CE1-CB 4.09Å; Y1085-V1124 HydrophobicContact CE1-CG1 4.05Å; V1088-V1124 HydrophobicContact CG1-CG1 4.19Å; V1088-V1124 HydrophobicContact CG1-CG2 3.93Å; L1105-V1124 HydrophobicContact CD2-CG2 3.89Å; F1120-V1124 HydrophobicContact CD1-CG2 4.14Å; F1120-V1124 HydrophobicContact CE1-CG2 3.56Å; F1120-V1124 HydrophobicContact CE2-CG2 4.21Å; F1120-V1124 HydrophobicContact CZ-CG2 3.61Å; F1120-V1124 WeakPolarHBondContact O-CG2 3.31Å; F1120-V1124 PolarHBondContact O-N 2.75Å; A1121-V1124 PolarHBondContact O-N 3.37Å; V1124-S1126 VanDerWaalsContact C-N 3.34Å; V1124-S1126 PolarHBondContact O-N 2.92Å; V1124-V1127 PolarHBondContact O-N 3.42Å; V1124-L1128 HydrophobicContact CG1-CD1 4.12Å; V1124-L1128 PolarHBondContact O-N 3.16Å; V1124-L1128 VanDerWaalsContact O-N 3.07Å
1125E90.1Very high88.3Confident2 Ų228.3 Ų28.31%0.00915%0.153CC..Hα-helixtrans-61.8-41.8179.7-171.656.3-148.100111.8L913 R914 N1078 Y1085 A1121 V1122 H1123 V1127 L1128 N1129 R1137L913-E1125 HydrophobicContact CB-CG 4.46Å; R914-E1125 HydrophobicContact CB-CG 4.47Å; N1078-E1125 VanDerWaalsContact CB-OE1 3.32Å; N1078-E1125 WeakPolarHBondContact CB-OE1 3.49Å; N1078-E1125 VanDerWaalsContact CG-OE1 3.3Å; N1078-E1125 PolarHBondContact ND2-OE1 3.35Å; Y1085-E1125 HydrophobicContact CE1-CB 4.35Å; Y1085-E1125 PolarHBondContact OH-OE2 3.48Å; A1121-E1125 VanDerWaalsContact O-CB 3.22Å; A1121-E1125 WeakPolarHBondContact O-CB 3.47Å; A1121-E1125 PolarHBondContact O-N 2.97Å; V1122-E1125 PolarHBondContact O-N 3.47Å; H1123-E1125 VanDerWaalsContact C-N 3.29Å; H1123-E1125 PolarHBondContact O-N 3.43Å; E1125-V1127 VanDerWaalsContact C-N 3.27Å; E1125-V1127 PolarHBondContact O-N 3.13Å; E1125-L1128 PolarHBondContact O-N 2.89Å; E1125-N1129 WeakPolarHBondContact O-CB 3.33Å; E1125-N1129 PolarHBondContact O-N 3.47Å; E1125-N1129 PolarHBondContact O-ND2 3.32Å; E1125-N1129 PolarHBondContact OE1-OD1 3.29Å; E1125-N1129 VanDerWaalsContact OE1-OD1 3.14Å; E1125-R1137 VanDerWaalsContact CD-NH2 3.25Å; E1125-R1137 IonicContact OE1-CZ 3.4Å; E1125-R1137 IonicContact OE1-NH1 3.8Å; E1125-R1137 IonicContact OE1-NH2 3.14Å; E1125-R1137 PolarHBondContact OE1-NH2 2.96Å; E1125-R1137 IonicContact OE2-NH2 2.85Å; E1125-R1137 PolarHBondContact OE2-NH2 2.86Å; E1125-R1137 VanDerWaalsContact OE2-NH2 3.15Å
1126S88.4Confident88.4Confident49 Ų4927.9 Ų27.934%0.34315%0.147SC..Hα-helixtrans-60.8-34.7175.8-172.80000112.7V1122 H1123 V1124V1122-S1126 WeakPolarHBondContact O-CB 3.49Å; V1122-S1126 PolarHBondContact O-N 3.27Å; H1123-S1126 WeakPolarHBondContact O-CB 3.43Å; H1123-S1126 PolarHBondContact O-N 2.83Å; V1124-S1126 VanDerWaalsContact C-N 3.34Å; V1124-S1126 PolarHBondContact O-N 2.92Å
1127V90.1Very high88.6Confident7 Ų725.1 Ų25.14%0.04213%0.128CC..Hα-helixtrans-70.8-48175.41770000110.1I1100 H1123 V1124 E1125 N1129 R1130I1100-V1127 HydrophobicContact CB-CG1 3.89Å; I1100-V1127 HydrophobicContact CD1-CG1 4.01Å; I1100-V1127 HydrophobicContact CG1-CG1 4.36Å; H1123-V1127 PolarHBondContact O-N 3.28Å; V1124-V1127 PolarHBondContact O-N 3.42Å; E1125-V1127 VanDerWaalsContact C-N 3.27Å; E1125-V1127 PolarHBondContact O-N 3.13Å; V1127-N1129 PolarHBondContact O-N 3.49Å; V1127-R1130 PolarHBondContact O-N 3.48Å
1128L90.1Very high88.7Confident0 Ų025.8 Ų25.80%013%0.131CC..Hα-helixtrans-63.1-27.8177.9-71.4166.9000112.9F1084 I1100 V1124 E1125 R1130 V1131 R1137 V1141 I1144F1084-L1128 HydrophobicContact CE1-CD1 3.83Å; F1084-L1128 HydrophobicContact CZ-CD1 3.99Å; I1100-L1128 HydrophobicContact CD1-CD2 3.83Å; I1100-L1128 HydrophobicContact CD1-CG 4.26Å; I1100-L1128 HydrophobicContact CG2-CD2 4.3Å; V1124-L1128 HydrophobicContact CG1-CD1 4.12Å; V1124-L1128 PolarHBondContact O-N 3.16Å; V1124-L1128 VanDerWaalsContact O-N 3.07Å; E1125-L1128 PolarHBondContact O-N 2.89Å; L1128-R1130 PolarHBondContact O-N 3.25Å; L1128-V1131 WeakPolarHBondContact O-CB 3.37Å; L1128-V1131 WeakPolarHBondContact O-CG2 3.44Å; L1128-V1131 PolarHBondContact O-N 2.96Å; L1128-R1137 PolarHBondContact O-NH1 2.94Å; L1128-V1141 HydrophobicContact CD1-CG2 4.35Å; L1128-V1141 HydrophobicContact CD2-CG2 4.42Å; L1128-I1144 HydrophobicContact CD2-CD1 3.99Å
1129N85.9Confident88.9Confident12 Ų1224.6 Ų24.66%0.06413%0.125CC..THydrogen-bonded Turntrans-71.8-15.7-177.6-76.2-26000114.8R914 R916 N1078 E1125 V1127 V1131 R1137R914-N1129 VanDerWaalsContact CD-ND2 3.3Å; R914-N1129 WeakPolarHBondContact CD-ND2 3.49Å; R914-N1129 PolarHBondContact NE-ND2 2.78Å; R916-N1129 PolarHBondContact NH1-O 3.27Å; R916-N1129 PolarHBondContact NH2-O 2.83Å; N1078-N1129 PolarHBondContact ND2-OD1 3.06Å; E1125-N1129 WeakPolarHBondContact O-CB 3.33Å; E1125-N1129 PolarHBondContact O-N 3.47Å; E1125-N1129 PolarHBondContact O-ND2 3.32Å; E1125-N1129 PolarHBondContact OE1-OD1 3.29Å; E1125-N1129 VanDerWaalsContact OE1-OD1 3.14Å; V1127-N1129 PolarHBondContact O-N 3.49Å; N1129-V1131 PolarHBondContact O-N 3.41Å; N1129-R1137 VanDerWaalsContact N-NH1 3.2Å; N1129-R1137 PolarHBondContact OD1-NH1 3.32Å
1130R83.8Confident89.2Confident108 Ų10822 Ų2241%0.40811%0.114SC..THydrogen-bonded Turntrans-67.3-25.9174.5-65.1-170.9163.1145.6-6.6112.2V1127 L1128 S1132V1127-R1130 PolarHBondContact O-N 3.48Å; L1128-R1130 PolarHBondContact O-N 3.25Å; R1130-S1132 PolarHBondContact O-N 3.32Å; R1130-S1132 VanDerWaalsContact O-N 3.15Å
1131V86.1Confident89.3Confident2 Ų222 Ų221%0.01211%0.114CC..  trans-64.4115.5172.8-173.80000109I1100 D1101 L1128 N1129 Y1136 R1137 L1140I1100-V1131 HydrophobicContact CG2-CG2 4.22Å; D1101-V1131 HydrophobicContact CB-CG2 4.36Å; L1128-V1131 WeakPolarHBondContact O-CB 3.37Å; L1128-V1131 WeakPolarHBondContact O-CG2 3.44Å; L1128-V1131 PolarHBondContact O-N 2.96Å; N1129-V1131 PolarHBondContact O-N 3.41Å; V1131-Y1136 HydrophobicContact CG1-CD1 3.65Å; V1131-Y1136 HydrophobicContact CG1-CE1 4.47Å; V1131-Y1136 HydrophobicContact CG1-CG 4.47Å; V1131-R1137 HydrophobicContact CB-CB 4.04Å; V1131-R1137 HydrophobicContact CB-CG 4.4Å; V1131-R1137 HydrophobicContact CG1-CB 3.77Å; V1131-L1140 HydrophobicContact CG1-CD1 4.26Å; V1131-L1140 HydrophobicContact CG2-CD1 3.54Å
1132S80.4Confident89.4Confident43 Ų4322.6 Ų22.630%0.30112%0.116SC..  trans-78.8-36-173.5-63.90000112.3R1130 P1134R1130-S1132 PolarHBondContact O-N 3.32Å; R1130-S1132 VanDerWaalsContact O-N 3.15Å; S1132-P1134 WeakPolarHBondContact O-CD 3.27Å
1133Q85.4Confident89.6Confident58 Ų5821.3 Ų21.327%0.27111%0.108SC..  trans-86.9116.2-177.3-59.379.3300110.7E1135 Y1136 R1137 T1194Q1133-E1135 PolarHBondContact O-N 3.02Å; Q1133-Y1136 PolarHBondContact O-N 2.8Å; Q1133-R1137 PolarHBondContact O-N 3.11Å; Q1133-T1194 HydrophobicContact CG-CG2 4.24Å
1134P87.3Confident89.7Confident23 Ų2318 Ų1815%0.1499%0.092CC..Hα-helixtrans-54.5-44.7-179.6-31.639.8000114.7R1072 G1075 A1076 S1132 Y1136 R1137 Q1138R1072-P1134 WeakPolarHBondContact O-CB 3.37Å; G1075-P1134 WeakPolarHBondContact CA-O 3.39Å; A1076-P1134 HydrophobicContact CB-CB 4.2Å; A1076-P1134 HydrophobicContact CB-CG 4.15Å; S1132-P1134 WeakPolarHBondContact O-CD 3.27Å; P1134-Y1136 PolarHBondContact O-N 3.04Å; P1134-R1137 WeakPolarHBondContact O-CB 3.49Å; P1134-R1137 PolarHBondContact O-N 2.93Å; P1134-Q1138 PolarHBondContact O-N 2.88Å; P1134-Q1138 VanDerWaalsContact O-N 3.15Å
1135E88.8Confident89.7Confident13 Ų1318 Ų186%0.0619%0.092CC..Hα-helixtrans-66-36.5-178.954.2-94.2-120.700113.2L1068 R1071 R1072 Q1133 Q1138 L1139 Y1201L1068-E1135 HydrophobicContact CD1-CB 3.96Å; L1068-E1135 HydrophobicContact CD1-CG 4.07Å; R1071-E1135 HydrophobicContact CB-CB 4.18Å; R1072-E1135 HydrophobicContact CG-CB 4.09Å; R1072-E1135 HydrophobicContact CG-CG 4.5Å; R1072-E1135 WeakPolarHBondContact CG-OE2 2.99Å; R1072-E1135 IonicContact CZ-OE1 2.85Å; R1072-E1135 VanDerWaalsContact CZ-OE1 3.27Å; R1072-E1135 IonicContact NE-OE1 3.75Å; R1072-E1135 PolarHBondContact NE-OE1 3.39Å; R1072-E1135 IonicContact NE-OE2 2.92Å; R1072-E1135 IonicContact NH2-OE1 3.99Å; R1072-E1135 PolarHBondContact NH2-OE1 3.26Å; Q1133-E1135 PolarHBondContact O-N 3.02Å; E1135-Q1138 PolarHBondContact O-N 3.46Å; E1135-L1139 PolarHBondContact O-N 3.33Å; E1135-Y1201 HydrophobicContact CB-CD1 3.89Å; E1135-Y1201 HydrophobicContact CB-CE1 4.04Å; E1135-Y1201 HydrophobicContact CB-CG 4.49Å; E1135-Y1201 HydrophobicContact CG-CD1 3.97Å; E1135-Y1201 HydrophobicContact CG-CE1 3.83Å; E1135-Y1201 HydrophobicContact CG-CE2 4.39Å; E1135-Y1201 HydrophobicContact CG-CG 4.34Å
1136Y92.4Very high89.6Confident13 Ų1318.2 Ų18.25%0.0519%0.093CC..Hα-helixtrans-72-42.4177-174.1-117.2000111.6V1131 Q1133 P1134 Q1138 L1139 L1140 D1165 V1168 T1194 I1196 Y1201V1131-Y1136 HydrophobicContact CG1-CD1 3.65Å; V1131-Y1136 HydrophobicContact CG1-CE1 4.47Å; V1131-Y1136 HydrophobicContact CG1-CG 4.47Å; Q1133-Y1136 PolarHBondContact O-N 2.8Å; P1134-Y1136 PolarHBondContact O-N 3.04Å; Y1136-Q1138 PolarHBondContact O-N 3.06Å; Y1136-L1139 PolarHBondContact O-N 3.32Å; Y1136-L1139 VanDerWaalsContact O-N 3.08Å; Y1136-L1140 HydrophobicContact CD1-CD1 3.95Å; Y1136-L1140 HydrophobicContact CE1-CD1 3.65Å; Y1136-L1140 HydrophobicContact CE1-CD2 4.41Å; Y1136-L1140 HydrophobicContact CE1-CG 4.16Å; Y1136-L1140 PolarHBondContact O-N 3.17Å; Y1136-D1165 WeakPolarHBondContact OH-CB 3.48Å; Y1136-D1165 PolarHBondContact OH-OD1 3.48Å; Y1136-V1168 HydrophobicContact CE2-CG1 3.87Å; Y1136-T1194 HydrophobicContact CD1-CG2 4.01Å; Y1136-T1194 HydrophobicContact CD2-CG2 4.05Å; Y1136-T1194 HydrophobicContact CG-CG2 3.72Å; Y1136-I1196 HydrophobicContact CD2-CG1 3.97Å; Y1136-I1196 HydrophobicContact CE2-CD1 4.34Å; Y1136-I1196 HydrophobicContact CE2-CG1 3.94Å; Y1136-Y1201 WeakPolarHBondContact CB-OH 3.43Å; Y1136-Y1201 HydrophobicContact CD2-CE1 4.5Å; Y1136-Y1201 WeakPolarHBondContact CD2-OH 3.34Å
1137R92.2Very high89.7Confident1 Ų115.9 Ų15.90%0.0048%0.077CC..Hα-helixtrans-51.5-43.6171.6-178.2-165158.792.71.6111N1078 E1125 L1128 N1129 V1131 Q1133 P1134 L1140 V1141N1078-R1137 PolarHBondContact OD1-NE 3.23Å; E1125-R1137 VanDerWaalsContact CD-NH2 3.25Å; E1125-R1137 IonicContact OE1-CZ 3.4Å; E1125-R1137 IonicContact OE1-NH1 3.8Å; E1125-R1137 IonicContact OE1-NH2 3.14Å; E1125-R1137 PolarHBondContact OE1-NH2 2.96Å; E1125-R1137 IonicContact OE2-NH2 2.85Å; E1125-R1137 PolarHBondContact OE2-NH2 2.86Å; E1125-R1137 VanDerWaalsContact OE2-NH2 3.15Å; L1128-R1137 PolarHBondContact O-NH1 2.94Å; N1129-R1137 VanDerWaalsContact N-NH1 3.2Å; N1129-R1137 PolarHBondContact OD1-NH1 3.32Å; V1131-R1137 HydrophobicContact CB-CB 4.04Å; V1131-R1137 HydrophobicContact CB-CG 4.4Å; V1131-R1137 HydrophobicContact CG1-CB 3.77Å; Q1133-R1137 PolarHBondContact O-N 3.11Å; P1134-R1137 WeakPolarHBondContact O-CB 3.49Å; P1134-R1137 PolarHBondContact O-N 2.93Å; R1137-L1140 WeakPolarHBondContact O-CB 3.44Å; R1137-L1140 PolarHBondContact O-N 3.07Å; R1137-V1141 WeakPolarHBondContact O-CG2 3.38Å; R1137-V1141 PolarHBondContact O-N 2.84Å
1138Q91.6Very high89.4Confident21 Ų2115.8 Ų15.810%0.0988%0.077CC..Hα-helixtrans-68.1-36-179.3-167.16113.200113.1R1071 P1134 E1135 Y1136 L1140 V1141 E1142R1071-Q1138 HydrophobicContact CB-CB 4.01Å; R1071-Q1138 HydrophobicContact CB-CG 4.19Å; R1071-Q1138 HydrophobicContact CG-CB 4.15Å; R1071-Q1138 HydrophobicContact CG-CG 3.92Å; P1134-Q1138 PolarHBondContact O-N 2.88Å; P1134-Q1138 VanDerWaalsContact O-N 3.15Å; E1135-Q1138 PolarHBondContact O-N 3.46Å; Y1136-Q1138 PolarHBondContact O-N 3.06Å; Q1138-L1140 VanDerWaalsContact C-N 3.32Å; Q1138-L1140 PolarHBondContact O-N 3.19Å; Q1138-V1141 PolarHBondContact O-N 2.79Å; Q1138-E1142 WeakPolarHBondContact O-CG 3.43Å; Q1138-E1142 PolarHBondContact O-N 3.11Å
1139L92.9Very high89Confident0 Ų017.3 Ų17.30%09%0.085CC..Hα-helixtrans-63.6-36.7171.8-71.6-176.7000112.4E1135 Y1136 E1142 A1143 V1168 I1196 F1200 Y1201 T1211E1135-L1139 PolarHBondContact O-N 3.33Å; Y1136-L1139 PolarHBondContact O-N 3.32Å; Y1136-L1139 VanDerWaalsContact O-N 3.08Å; L1139-E1142 PolarHBondContact O-N 2.93Å; L1139-A1143 WeakPolarHBondContact O-CB 3.37Å; L1139-A1143 PolarHBondContact O-N 2.93Å; L1139-V1168 HydrophobicContact CB-CG1 4.14Å; L1139-V1168 HydrophobicContact CD1-CG1 4.2Å; L1139-I1196 HydrophobicContact CD1-CG2 4.08Å; L1139-F1200 HydrophobicContact CD1-CD1 3.96Å; L1139-F1200 HydrophobicContact CD1-CE1 4.08Å; L1139-F1200 HydrophobicContact CD2-CE1 4.4Å; L1139-Y1201 HydrophobicContact CD1-CD1 3.54Å; L1139-Y1201 HydrophobicContact CD1-CE1 3.39Å; L1139-Y1201 HydrophobicContact CG-CD1 4.12Å; L1139-Y1201 HydrophobicContact CG-CE1 4.11Å; L1139-T1211 HydrophobicContact CD2-CG2 4.21Å
1140L94.4Very high88.7Confident0 Ų018.1 Ų18.10%09%0.089CC..Hα-helixtrans-64.9-40.5174.1-66.7166.8000111.5I1100 V1131 Y1136 R1137 Q1138 A1143 I1144 V1164 V1168I1100-L1140 HydrophobicContact CG2-CD1 4.02Å; V1131-L1140 HydrophobicContact CG1-CD1 4.26Å; V1131-L1140 HydrophobicContact CG2-CD1 3.54Å; Y1136-L1140 HydrophobicContact CD1-CD1 3.95Å; Y1136-L1140 HydrophobicContact CE1-CD1 3.65Å; Y1136-L1140 HydrophobicContact CE1-CD2 4.41Å; Y1136-L1140 HydrophobicContact CE1-CG 4.16Å; Y1136-L1140 PolarHBondContact O-N 3.17Å; R1137-L1140 WeakPolarHBondContact O-CB 3.44Å; R1137-L1140 PolarHBondContact O-N 3.07Å; Q1138-L1140 VanDerWaalsContact C-N 3.32Å; Q1138-L1140 PolarHBondContact O-N 3.19Å; L1140-A1143 PolarHBondContact O-N 2.79Å; L1140-I1144 VanDerWaalsContact O-CG1 3.26Å; L1140-I1144 WeakPolarHBondContact O-CG1 3.15Å; L1140-I1144 PolarHBondContact O-N 2.82Å; L1140-V1164 HydrophobicContact CB-CG1 4.41Å; L1140-V1164 HydrophobicContact CD2-CB 4.2Å; L1140-V1164 HydrophobicContact CD2-CG1 3.66Å; L1140-V1168 HydrophobicContact CD2-CG2 3.86Å
1141V93.3Very high88.2Confident1 Ų113.7 Ų13.71%0.0068%0.075CC..Hα-helixtrans-60.9-44.9173.1172.30000110.9V1080 P1081 F1084 L1128 R1137 Q1138 I1144 M1145V1080-V1141 HydrophobicContact CG1-CG1 4.29Å; V1080-V1141 HydrophobicContact CG1-CG2 4.27Å; P1081-V1141 HydrophobicContact CG-CG1 4.48Å; F1084-V1141 HydrophobicContact CD2-CG1 4.27Å; F1084-V1141 HydrophobicContact CE2-CG1 3.94Å; F1084-V1141 HydrophobicContact CZ-CG1 4.47Å; L1128-V1141 HydrophobicContact CD1-CG2 4.35Å; L1128-V1141 HydrophobicContact CD2-CG2 4.42Å; R1137-V1141 WeakPolarHBondContact O-CG2 3.38Å; R1137-V1141 PolarHBondContact O-N 2.84Å; Q1138-V1141 PolarHBondContact O-N 2.79Å; V1141-I1144 PolarHBondContact O-N 2.91Å; V1141-M1145 WeakPolarHBondContact O-CB 3.14Å; V1141-M1145 WeakPolarHBondContact O-CG 3.45Å; V1141-M1145 PolarHBondContact O-N 2.7Å
1142E92.6Very high87.5Confident20 Ų2018 Ų189%0.09310%0.098CC..Hα-helixtrans-60.1-43.5174.9-73173.3-149.300111.6R1071 Q1138 L1139 M1145 V1146 T1211 M1212 L1215R1071-E1142 IonicContact CZ-OE1 3.27Å; R1071-E1142 IonicContact CZ-OE2 3.56Å; R1071-E1142 IonicContact NE-OE1 2.79Å; R1071-E1142 PolarHBondContact NE-OE1 3.33Å; R1071-E1142 IonicContact NE-OE2 2.93Å; R1071-E1142 IonicContact NH2-OE1 2.84Å; R1071-E1142 PolarHBondContact NH2-OE1 3.47Å; R1071-E1142 IonicContact NH2-OE2 3.33Å; R1071-E1142 PolarHBondContact NH2-OE2 2.79Å; Q1138-E1142 WeakPolarHBondContact O-CG 3.43Å; Q1138-E1142 PolarHBondContact O-N 3.11Å; L1139-E1142 PolarHBondContact O-N 2.93Å; E1142-M1145 WeakPolarHBondContact O-CB 3.3Å; E1142-M1145 PolarHBondContact O-N 2.92Å; E1142-V1146 WeakPolarHBondContact O-CG2 3.46Å; E1142-V1146 PolarHBondContact O-N 2.89Å; E1142-T1211 PolarHBondContact OE2-OG1 2.95Å; E1142-T1211 VanDerWaalsContact OE2-OG1 3.11Å; E1142-M1212 HydrophobicContact CB-SD 3.84Å; E1142-M1212 HydrophobicContact CG-SD 4.25Å; E1142-L1215 HydrophobicContact CB-CD1 3.8Å
1143A93.8Very high87.2Confident0 Ų018.7 Ų18.70%010%0.1CC..Hα-helixtrans-63.3-45.7177.200000112.4L1139 L1140 M1145 V1146 L1147 V1164 I1167 V1168 L1215L1139-A1143 WeakPolarHBondContact O-CB 3.37Å; L1139-A1143 PolarHBondContact O-N 2.93Å; L1140-A1143 PolarHBondContact O-N 2.79Å; A1143-M1145 VanDerWaalsContact C-N 3.29Å; A1143-M1145 PolarHBondContact O-N 3.25Å; A1143-V1146 WeakPolarHBondContact O-CB 3.3Å; A1143-V1146 PolarHBondContact O-N 2.86Å; A1143-L1147 PolarHBondContact O-N 3.43Å; A1143-V1164 HydrophobicContact CB-CG1 3.88Å; A1143-I1167 HydrophobicContact CB-CG2 4.43Å; A1143-V1168 HydrophobicContact CB-CG2 3.75Å; A1143-L1215 HydrophobicContact CB-CD1 4.43Å; A1143-L1215 HydrophobicContact CB-CD2 3.8Å
1144I93.1Very high86.2Confident2 Ų225.3 Ų25.31%0.0113%0.131CC..Hα-helixtrans-61.5-40.9175.7-68.4165.1000110.2F1084 V1088 I1100 L1128 L1140 V1141 V1146 L1147 T1148 V1164F1084-I1144 HydrophobicContact CE2-CB 3.98Å; F1084-I1144 HydrophobicContact CE2-CG2 3.58Å; F1084-I1144 HydrophobicContact CZ-CB 4.26Å; F1084-I1144 HydrophobicContact CZ-CD1 4.19Å; F1084-I1144 HydrophobicContact CZ-CG2 3.79Å; V1088-I1144 HydrophobicContact CG2-CG2 3.62Å; I1100-I1144 HydrophobicContact CD1-CD1 3.72Å; I1100-I1144 HydrophobicContact CG1-CD1 4.49Å; L1128-I1144 HydrophobicContact CD2-CD1 3.99Å; L1140-I1144 VanDerWaalsContact O-CG1 3.26Å; L1140-I1144 WeakPolarHBondContact O-CG1 3.15Å; L1140-I1144 PolarHBondContact O-N 2.82Å; V1141-I1144 PolarHBondContact O-N 2.91Å; I1144-V1146 VanDerWaalsContact C-N 3.32Å; I1144-V1146 PolarHBondContact O-N 2.94Å; I1144-L1147 WeakPolarHBondContact O-CB 3.49Å; I1144-L1147 PolarHBondContact O-N 3.36Å; I1144-L1147 VanDerWaalsContact O-N 3.15Å; I1144-T1148 HydrophobicContact CG2-CG2 4.25Å; I1144-T1148 WeakPolarHBondContact O-CG2 3.45Å; I1144-T1148 PolarHBondContact O-N 2.88Å; I1144-V1164 HydrophobicContact CD1-CG1 4.39Å; I1144-V1164 HydrophobicContact CG1-CG1 3.83Å; I1144-V1164 HydrophobicContact CG1-CG2 4.05Å
1145M90.3Very high85.3Confident4 Ų428.2 Ų28.22%0.0214%0.143CC..Hα-helixtrans-59.5-41.2175.5-81.5-56.3-51.100112.6I1000 P1081 F1084 R1087 V1141 E1142 A1143 T1148I1000-M1145 HydrophobicContact CD1-CB 3.73Å; I1000-M1145 HydrophobicContact CD1-CE 3.23Å; I1000-M1145 HydrophobicContact CD1-CG 4.09Å; I1000-M1145 HydrophobicContact CD1-SD 4.46Å; P1081-M1145 HydrophobicContact CB-SD 4.25Å; P1081-M1145 HydrophobicContact CG-CG 4.02Å; P1081-M1145 HydrophobicContact CG-SD 4.19Å; F1084-M1145 HydrophobicContact CD2-CG 4.06Å; F1084-M1145 HydrophobicContact CD2-SD 3.61Å; F1084-M1145 HydrophobicContact CE2-CG 4.36Å; F1084-M1145 HydrophobicContact CE2-SD 4.37Å; R1087-M1145 VanDerWaalsContact NH1-CE 3.33Å; V1141-M1145 WeakPolarHBondContact O-CB 3.14Å; V1141-M1145 WeakPolarHBondContact O-CG 3.45Å; V1141-M1145 PolarHBondContact O-N 2.7Å; E1142-M1145 WeakPolarHBondContact O-CB 3.3Å; E1142-M1145 PolarHBondContact O-N 2.92Å; A1143-M1145 VanDerWaalsContact C-N 3.29Å; A1143-M1145 PolarHBondContact O-N 3.25Å; M1145-T1148 PolarHBondContact O-N 3.43Å; M1145-T1148 PolarHBondContact O-OG1 3Å
1146V89.8Confident84.2Confident5 Ų534.7 Ų34.73%0.0318%0.178CC..Hα-helixtrans-63.2-45.7172.8176.50000111E1142 A1143 I1144 T1148 L1149 M1212 L1215 V1219E1142-V1146 WeakPolarHBondContact O-CG2 3.46Å; E1142-V1146 PolarHBondContact O-N 2.89Å; A1143-V1146 WeakPolarHBondContact O-CB 3.3Å; A1143-V1146 PolarHBondContact O-N 2.86Å; I1144-V1146 VanDerWaalsContact C-N 3.32Å; I1144-V1146 PolarHBondContact O-N 2.94Å; V1146-T1148 PolarHBondContact O-N 3.25Å; V1146-L1149 VanDerWaalsContact O-CB 3.26Å; V1146-L1149 WeakPolarHBondContact O-CB 3.46Å; V1146-L1149 WeakPolarHBondContact O-CG 3.35Å; V1146-L1149 PolarHBondContact O-N 3.5Å; V1146-M1212 HydrophobicContact CG2-CE 3.36Å; V1146-M1212 HydrophobicContact CG2-SD 3.79Å; V1146-L1215 HydrophobicContact CG2-CB 4.07Å; V1146-V1219 HydrophobicContact CB-CG2 4.47Å; V1146-V1219 HydrophobicContact CG1-CB 4.25Å; V1146-V1219 HydrophobicContact CG1-CG2 3.89Å
1147L88.7Confident83.2Confident1 Ų144.2 Ų44.21%0.00521%0.214CC..Hα-helixtrans-57-36.1176-74.6169.9000112.2A1143 I1144 L1149 L1150 I1162 V1164 I1167 V1219A1143-L1147 PolarHBondContact O-N 3.43Å; I1144-L1147 WeakPolarHBondContact O-CB 3.49Å; I1144-L1147 PolarHBondContact O-N 3.36Å; I1144-L1147 VanDerWaalsContact O-N 3.15Å; L1147-L1149 PolarHBondContact O-N 3.3Å; L1147-L1150 HydrophobicContact CD2-CD1 3.99Å; L1147-L1150 WeakPolarHBondContact O-CB 3.47Å; L1147-L1150 WeakPolarHBondContact O-CG 3.34Å; L1147-L1150 PolarHBondContact O-N 3.32Å; L1147-I1162 HydrophobicContact CD1-CG2 3.87Å; L1147-I1162 HydrophobicContact CD2-CG2 4.12Å; L1147-V1164 HydrophobicContact CD1-CG2 4.28Å; L1147-I1167 HydrophobicContact CD1-CD1 3.88Å; L1147-I1167 HydrophobicContact CD2-CD1 3.94Å; L1147-I1167 HydrophobicContact CG-CD1 4.21Å; L1147-V1219 HydrophobicContact CD2-CB 4.46Å; L1147-V1219 HydrophobicContact CD2-CG1 3.79Å; L1147-V1219 HydrophobicContact CD2-CG2 3.83Å; L1147-V1219 HydrophobicContact CG-CG2 4.07Å
1148T84.6Confident82.4Confident5 Ų545 Ų453%0.03122%0.218CC..Hα-helixtrans-66.9-17.5179.173.60000113.6R1087 I1091 I1144 M1145 V1146 L1150 S1151R1087-T1148 HydrophobicContact CB-CG2 3.7Å; I1091-T1148 HydrophobicContact CG2-CG2 4.45Å; I1144-T1148 HydrophobicContact CG2-CG2 4.25Å; I1144-T1148 WeakPolarHBondContact O-CG2 3.45Å; I1144-T1148 PolarHBondContact O-N 2.88Å; M1145-T1148 PolarHBondContact O-N 3.43Å; M1145-T1148 PolarHBondContact O-OG1 3Å; V1146-T1148 PolarHBondContact O-N 3.25Å; T1148-L1150 PolarHBondContact O-N 2.98Å; T1148-S1151 WeakPolarHBondContact O-CB 3.45Å; T1148-S1151 PolarHBondContact O-N 3.28Å; T1148-S1151 PolarHBondContact O-OG 3.36Å
1149L82.6Confident81.5Confident32 Ų3245 Ų4517%0.16822%0.224CC..G310 helixtrans-63.9-23.8171.1-59.9173.9000111.8L1003 M1007 V1146 L1147 S1151 D1152L1003-L1149 HydrophobicContact CD2-CD1 3.57Å; M1007-L1149 HydrophobicContact SD-CD1 4.26Å; V1146-L1149 VanDerWaalsContact O-CB 3.26Å; V1146-L1149 WeakPolarHBondContact O-CB 3.46Å; V1146-L1149 WeakPolarHBondContact O-CG 3.35Å; V1146-L1149 PolarHBondContact O-N 3.5Å; L1147-L1149 PolarHBondContact O-N 3.3Å; L1149-S1151 VanDerWaalsContact C-N 3.3Å; L1149-D1152 PolarHBondContact O-N 3.35Å
1150L78.6Confident81Confident28 Ų2846 Ų4615%0.14724%0.235CC..G310 helixtrans-74.2-19.2174-53.1168.8000112.6I1091 K1094 L1147 T1148 D1152 T1153 I1158 V1219 L1223I1091-L1150 HydrophobicContact CD1-CB 4.14Å; K1094-L1150 PolarHBondContact NZ-O 3.47Å; L1147-L1150 HydrophobicContact CD2-CD1 3.99Å; L1147-L1150 WeakPolarHBondContact O-CB 3.47Å; L1147-L1150 WeakPolarHBondContact O-CG 3.34Å; L1147-L1150 PolarHBondContact O-N 3.32Å; T1148-L1150 PolarHBondContact O-N 2.98Å; L1150-D1152 PolarHBondContact O-N 2.81Å; L1150-T1153 PolarHBondContact O-N 2.89Å; L1150-T1153 PolarHBondContact O-OG1 2.89Å; L1150-I1158 HydrophobicContact CB-CD1 4.21Å; L1150-I1158 HydrophobicContact CD1-CD1 4.14Å; L1150-V1219 HydrophobicContact CD1-CG1 3.95Å; L1150-L1223 HydrophobicContact CD1-CD1 3.45Å; L1150-L1223 VanDerWaalsContact CD1-CD1 3.45Å; L1150-L1223 HydrophobicContact CD1-CD2 4.1Å; L1150-L1223 HydrophobicContact CD1-CG 4.25Å; L1150-L1223 HydrophobicContact CD2-CD1 3.6Å; L1150-L1223 HydrophobicContact CG-CD1 4.16Å
1151S73.3Confident80.8Confident16 Ų1649 Ų4911%0.11225%0.25CS..G310 helixtrans-67.5-25.6175.373.50000111.8K1094 T1148 L1149 T1153K1094-S1151 WeakPolarHBondContact CE-O 3.45Å; K1094-S1151 PolarHBondContact NZ-O 2.98Å; T1148-S1151 WeakPolarHBondContact O-CB 3.45Å; T1148-S1151 PolarHBondContact O-N 3.28Å; T1148-S1151 PolarHBondContact O-OG 3.36Å; L1149-S1151 VanDerWaalsContact C-N 3.3Å; S1151-T1153 VanDerWaalsContact C-N 3.34Å
1152D72.2Confident80.7Confident93 Ų9349 Ų4950%0.49725%0.25SS..G310 helixtrans-83.5-4.6179.4-720.9000113R1004 L1149 L1150R1004-D1152 IonicContact CZ-OD2 2.93Å; R1004-D1152 IonicContact NH2-OD2 3.65Å; R1004-D1152 PolarHBondContact NH2-OD2 3.3Å; L1149-D1152 PolarHBondContact O-N 3.35Å; L1150-D1152 PolarHBondContact O-N 2.81Å
1153T72.5Confident80.7Confident57 Ų5751.2 Ų51.235%0.3526%0.26SS..SBendtrans-88.9155.5177.766.40000111.7K1094 L1150 S1151 M1155K1094-T1153 PolarHBondContact NZ-O 3.4Å; L1150-T1153 PolarHBondContact O-N 2.89Å; L1150-T1153 PolarHBondContact O-OG1 2.89Å; S1151-T1153 VanDerWaalsContact C-N 3.34Å; T1153-M1155 PolarHBondContact O-N 2.85Å
1154E64.8Low80.7Confident197 Ų19751.2 Ų51.292%0.92126%0.26SS*.SBendtrans-70.711.9-179.8-64.3-174.4168.800114.4D1156E1154-D1156 PolarHBondContact O-N 3.36Å
1155M67.9Low80.7Confident83 Ų8352.1 Ų52.141%0.40927%0.265SS..  trans-75.5124.7176.5-63.9-175.872.600110.9K1094 T1153 L1227K1094-M1155 WeakPolarHBondContact CE-O 3.14Å; K1094-M1155 PolarHBondContact NZ-O 2.97Å; T1153-M1155 PolarHBondContact O-N 2.85Å; M1155-L1227 HydrophobicContact CE-CD2 4.47Å
1156D65.8Low80.8Confident149 Ų14956.5 Ų56.580%0.79729%0.286SS*.SBendtrans-72.4-38.3-179.7-70.4-33.6000113E1154E1154-D1156 PolarHBondContact O-N 3.36Å
1157R72.1Confident81Confident214 Ų21456.3 Ų56.381%0.80828%0.284SS*.  trans-147.2132.8178-65.3-174.6-177.8175.51111.3
1158I76.3Confident81.2Confident16 Ų1656.2 Ų56.28%0.08228%0.284CS..  trans-81.8-34.9169.7-62.8170.5000110I1091 K1094 L1150 I1162 L1223I1091-I1158 HydrophobicContact CD1-CD1 3.43Å; I1091-I1158 VanDerWaalsContact CD1-CD1 3.43Å; K1094-I1158 HydrophobicContact CB-CD1 4.24Å; K1094-I1158 HydrophobicContact CB-CG1 4.29Å; K1094-I1158 PolarHBondContact O-N 3.28Å; L1150-I1158 HydrophobicContact CB-CD1 4.21Å; L1150-I1158 HydrophobicContact CD1-CD1 4.14Å; I1158-I1162 HydrophobicContact CD1-CD1 4.45Å; I1158-I1162 HydrophobicContact CG2-CD1 4.09Å; I1158-L1223 HydrophobicContact CG2-CD2 3.55Å
1159G71.6Confident81.7Confident21 Ų2160.2 Ų60.222%0.21630%0.302CS..  trans75.6172.2-175.600000113.1K1094K1094-G1159 PolarHBondContact O-N 3.43Å
1160G83.9Confident82.2Confident22 Ų2261 Ų6123%0.22731%0.307CS..SBendtrans61.2177.1179.600000117.1H1096H1096-G1160 VanDerWaalsContact CB-O 3.29Å; H1096-G1160 WeakPolarHBondContact CB-O 3.43Å; H1096-G1160 PolarHBondContact N-O 3.43Å; H1096-G1160 WeakPolarHBondContact ND1-CA 3.36Å; H1096-G1160 PolarHBondContact ND1-N 2.73Å; H1096-G1160 PolarHBondContact ND1-O 3.15Å
1161I89.9Confident83Confident64 Ų6459.7 Ų59.733%0.32830%0.3SS..EExtended strand (participates in β ladder)trans-93.1127.8163-66170.5000106.4H1096 G1097 V1104H1096-I1161 HydrophobicContact CB-CG1 4.25Å; G1097-I1161 WeakPolarHBondContact O-CA 3.4Å; V1104-I1161 HydrophobicContact CG1-CD1 4.23Å; V1104-I1161 HydrophobicContact CG1-CG1 4.5Å; V1104-I1161 HydrophobicContact CG1-CG2 4.3Å; V1104-I1161 HydrophobicContact CG2-CD1 4.28Å; V1104-I1161 HydrophobicContact CG2-CG2 4.31Å
1162I91.2Very high83.9Confident1 Ų159.2 Ų59.21%0.00530%0.296CS..EExtended strand (participates in β ladder)trans-89.8118179.2-56.9174.1000108.4C1095 G1097 L1098 S1099 L1147 I1158 V1164 I1167C1095-I1162 HydrophobicContact CB-CD1 3.92Å; C1095-I1162 HydrophobicContact CB-CG1 4.22Å; G1097-I1162 PolarHBondContact O-N 2.9Å; L1098-I1162 HydrophobicContact CD2-CB 3.94Å; L1098-I1162 HydrophobicContact CD2-CD1 4.18Å; L1098-I1162 HydrophobicContact CD2-CG1 4.5Å; L1098-I1162 HydrophobicContact CD2-CG2 4.48Å; S1099-I1162 PolarHBondContact N-O 3.29Å; L1147-I1162 HydrophobicContact CD1-CG2 3.87Å; L1147-I1162 HydrophobicContact CD2-CG2 4.12Å; I1158-I1162 HydrophobicContact CD1-CD1 4.45Å; I1158-I1162 HydrophobicContact CG2-CD1 4.09Å; I1162-V1164 PolarHBondContact O-N 3.38Å; I1162-I1167 HydrophobicContact CG2-CD1 3.69Å
1163H92.4Very high84.9Confident66 Ų6659.5 Ų59.531%0.30629%0.294SS..EExtended strand (participates in β ladder)trans-88.8101.3179.2-66.6-84.8000110.5S1099 D1165 Q1166 I1167S1099-H1163 VanDerWaalsContact CB-ND1 3.34Å; S1099-H1163 WeakPolarHBondContact CB-ND1 3.47Å; S1099-H1163 PolarHBondContact OG-ND1 3.06Å; H1163-D1165 VanDerWaalsContact C-N 3.33Å; H1163-D1165 PolarHBondContact O-N 2.85Å; H1163-Q1166 HydrophobicContact CB-CB 4.02Å; H1163-Q1166 HydrophobicContact CB-CG 3.76Å; H1163-Q1166 PolarHBondContact O-N 2.88Å; H1163-I1167 PolarHBondContact O-N 2.98Å
1164V93.8Very high85.8Confident0 Ų058.6 Ų58.60%029%0.287CS..Hα-helixtrans-65.3-37.8-174.7-173.60000111.2S1099 I1100 L1140 A1143 I1144 L1147 I1162 Q1166 I1167 V1168S1099-V1164 WeakPolarHBondContact O-CG2 3.48Å; S1099-V1164 PolarHBondContact O-N 3.49Å; I1100-V1164 HydrophobicContact CG1-CB 4.27Å; I1100-V1164 HydrophobicContact CG1-CG2 4Å; L1140-V1164 HydrophobicContact CB-CG1 4.41Å; L1140-V1164 HydrophobicContact CD2-CB 4.2Å; L1140-V1164 HydrophobicContact CD2-CG1 3.66Å; A1143-V1164 HydrophobicContact CB-CG1 3.88Å; I1144-V1164 HydrophobicContact CD1-CG1 4.39Å; I1144-V1164 HydrophobicContact CG1-CG1 3.83Å; I1144-V1164 HydrophobicContact CG1-CG2 4.05Å; L1147-V1164 HydrophobicContact CD1-CG2 4.28Å; I1162-V1164 PolarHBondContact O-N 3.38Å; V1164-Q1166 VanDerWaalsContact C-N 3.31Å; V1164-Q1166 PolarHBondContact O-N 2.96Å; V1164-I1167 WeakPolarHBondContact O-CB 3.25Å; V1164-I1167 PolarHBondContact O-N 3.48Å; V1164-V1168 PolarHBondContact O-N 3.43Å; V1164-V1168 VanDerWaalsContact O-N 3.11Å
1165D92Very high87.1Confident21 Ų2149.4 Ų49.411%0.11224%0.244CC..Hα-helixtrans-60.8-39.7176.7-57-82.7000112.5I1100 D1101 Y1136 H1163 I1167 V1168 Q1169I1100-D1165 WeakPolarHBondContact CA-OD2 3.34Å; D1101-D1165 PolarHBondContact N-OD2 2.8Å; Y1136-D1165 WeakPolarHBondContact OH-CB 3.48Å; Y1136-D1165 PolarHBondContact OH-OD1 3.48Å; H1163-D1165 VanDerWaalsContact C-N 3.33Å; H1163-D1165 PolarHBondContact O-N 2.85Å; D1165-I1167 VanDerWaalsContact C-N 3.31Å; D1165-I1167 PolarHBondContact O-N 3.42Å; D1165-V1168 PolarHBondContact O-N 3.02Å; D1165-Q1169 WeakPolarHBondContact O-CB 3.38Å; D1165-Q1169 WeakPolarHBondContact O-CG 3.49Å; D1165-Q1169 PolarHBondContact O-N 3.06Å
1166Q92.1Very high88Confident96 Ų9646.5 Ų46.545%0.44923%0.23SC..Hα-helixtrans-65.4-37.2178.3-67.4178.6-1.300111.3H1163 V1164 Q1169 L1170H1163-Q1166 HydrophobicContact CB-CB 4.02Å; H1163-Q1166 HydrophobicContact CB-CG 3.76Å; H1163-Q1166 PolarHBondContact O-N 2.88Å; V1164-Q1166 VanDerWaalsContact C-N 3.31Å; V1164-Q1166 PolarHBondContact O-N 2.96Å; Q1166-Q1169 PolarHBondContact O-N 3.47Å; Q1166-L1170 VanDerWaalsContact O-CB 3.3Å; Q1166-L1170 WeakPolarHBondContact O-CB 3.43Å; Q1166-L1170 PolarHBondContact O-N 3.38Å
1167I93.8Very high89.1Confident0 Ų045.3 Ų45.30%022%0.22CC..Hα-helixtrans-62.9-45.3174.7-67.5164.8000110.5A1143 L1147 I1162 H1163 V1164 D1165 L1170 A1171 L1215 A1218 V1219 H1222A1143-I1167 HydrophobicContact CB-CG2 4.43Å; L1147-I1167 HydrophobicContact CD1-CD1 3.88Å; L1147-I1167 HydrophobicContact CD2-CD1 3.94Å; L1147-I1167 HydrophobicContact CG-CD1 4.21Å; I1162-I1167 HydrophobicContact CG2-CD1 3.69Å; H1163-I1167 PolarHBondContact O-N 2.98Å; V1164-I1167 WeakPolarHBondContact O-CB 3.25Å; V1164-I1167 PolarHBondContact O-N 3.48Å; D1165-I1167 VanDerWaalsContact C-N 3.31Å; D1165-I1167 PolarHBondContact O-N 3.42Å; I1167-L1170 PolarHBondContact O-N 3.26Å; I1167-A1171 WeakPolarHBondContact O-CB 3.42Å; I1167-A1171 PolarHBondContact O-N 3.03Å; I1167-L1215 HydrophobicContact CG2-CD2 4.32Å; I1167-A1218 HydrophobicContact CG2-CB 4.05Å; I1167-A1218 WeakPolarHBondContact O-CB 3.34Å; I1167-V1219 HydrophobicContact CD1-CG2 4.21Å; I1167-V1219 HydrophobicContact CG2-CG2 3.68Å; I1167-H1222 HydrophobicContact CG1-CB 4.33Å
1168V94.8Very high89.9Confident0 Ų037.3 Ų37.30%019%0.193CC..Hα-helixtrans-65-42.1177.8177.30000111Y1136 L1139 L1140 A1143 V1164 D1165 A1171 N1172 I1196 L1215Y1136-V1168 HydrophobicContact CE2-CG1 3.87Å; L1139-V1168 HydrophobicContact CB-CG1 4.14Å; L1139-V1168 HydrophobicContact CD1-CG1 4.2Å; L1140-V1168 HydrophobicContact CD2-CG2 3.86Å; A1143-V1168 HydrophobicContact CB-CG2 3.75Å; V1164-V1168 PolarHBondContact O-N 3.43Å; V1164-V1168 VanDerWaalsContact O-N 3.11Å; D1165-V1168 PolarHBondContact O-N 3.02Å; V1168-A1171 PolarHBondContact O-N 3.34Å; V1168-N1172 WeakPolarHBondContact O-CB 3.3Å; V1168-N1172 PolarHBondContact O-N 2.89Å; V1168-I1196 HydrophobicContact CG1-CD1 3.93Å; V1168-L1215 HydrophobicContact CG2-CD2 4.1Å
1169Q93.4Very high90.3Very high89 Ų8938.7 Ų38.742%0.41620%0.199SC..Hα-helixtrans-63.5-43.8176.5-73.7-174.52.900112.2D1165 Q1166 N1172 Q1173D1165-Q1169 WeakPolarHBondContact O-CB 3.38Å; D1165-Q1169 WeakPolarHBondContact O-CG 3.49Å; D1165-Q1169 PolarHBondContact O-N 3.06Å; Q1166-Q1169 PolarHBondContact O-N 3.47Å; Q1169-N1172 PolarHBondContact O-N 3.24Å; Q1169-Q1173 WeakPolarHBondContact O-CG 3.38Å; Q1169-Q1173 PolarHBondContact O-N 3.34Å
1170L93.4Very high90.8Very high49 Ų4941.4 Ų41.426%0.25721%0.211SC..Hα-helixtrans-63.4-42.6176-179.860.6000111.2Q1166 I1167 N1172 Q1173 L1174 A1218Q1166-L1170 VanDerWaalsContact O-CB 3.3Å; Q1166-L1170 WeakPolarHBondContact O-CB 3.43Å; Q1166-L1170 PolarHBondContact O-N 3.38Å; I1167-L1170 PolarHBondContact O-N 3.26Å; L1170-N1172 VanDerWaalsContact C-N 3.33Å; L1170-N1172 PolarHBondContact O-N 2.64Å; L1170-Q1173 WeakPolarHBondContact O-CB 3.41Å; L1170-Q1173 PolarHBondContact O-N 3.38Å; L1170-Q1173 VanDerWaalsContact O-N 3.15Å; L1170-L1174 HydrophobicContact CG-CD1 4.49Å; L1170-L1174 WeakPolarHBondContact O-CG 3.44Å; L1170-L1174 PolarHBondContact O-N 2.95Å; L1170-A1218 HydrophobicContact CB-CB 4.05Å; L1170-A1218 HydrophobicContact CD2-CB 3.97Å; L1170-A1218 HydrophobicContact CG-CB 3.94Å
1171A94.9Very high90.6Very high0 Ų044.4 Ų44.40%023%0.228CC..Hα-helixtrans-60-43.1174.900000112I1167 V1168 L1174 F1175 F1200 L1215 A1218I1167-A1171 WeakPolarHBondContact O-CB 3.42Å; I1167-A1171 PolarHBondContact O-N 3.03Å; V1168-A1171 PolarHBondContact O-N 3.34Å; A1171-L1174 PolarHBondContact O-N 2.99Å; A1171-F1175 WeakPolarHBondContact O-CB 3.43Å; A1171-F1175 PolarHBondContact O-N 2.87Å; A1171-F1200 HydrophobicContact CB-CZ 4.11Å; A1171-L1215 HydrophobicContact CB-CD2 3.74Å; A1171-L1215 HydrophobicContact CB-CG 4.18Å; A1171-A1218 HydrophobicContact CB-CB 3.92Å
1172N94.1Very high90.1Very high6 Ų647.3 Ų47.33%0.03224%0.239CC..Hα-helixtrans-64-37.7174.2175.569.5000112.1V1168 Q1169 L1170 F1175 L1176 G1195 I1196 C1197 F1200V1168-N1172 WeakPolarHBondContact O-CB 3.3Å; V1168-N1172 PolarHBondContact O-N 2.89Å; Q1169-N1172 PolarHBondContact O-N 3.24Å; L1170-N1172 VanDerWaalsContact C-N 3.33Å; L1170-N1172 PolarHBondContact O-N 2.64Å; N1172-F1175 PolarHBondContact O-N 3.44Å; N1172-L1176 WeakPolarHBondContact O-CB 3.3Å; N1172-L1176 VanDerWaalsContact O-CG 3.24Å; N1172-L1176 WeakPolarHBondContact O-CG 3.49Å; N1172-L1176 PolarHBondContact O-N 3.08Å; N1172-G1195 PolarHBondContact ND2-O 3.26Å; N1172-I1196 HydrophobicContact CB-CD1 3.74Å; N1172-C1197 WeakPolarHBondContact OD1-CB 3.13Å; N1172-C1197 PolarHBondContact OD1-N 3.3Å; N1172-F1200 HydrophobicContact CB-CD1 4.19Å; N1172-F1200 HydrophobicContact CB-CE1 4.37Å
1173Q92.1Very high89.1Confident99 Ų9950 Ų5046%0.46327%0.267SS..Hα-helixtrans-64.4-45.3174.4-72.3173.51200112.1Q1169 L1170 F1175 L1176 Q1177Q1169-Q1173 WeakPolarHBondContact O-CG 3.38Å; Q1169-Q1173 PolarHBondContact O-N 3.34Å; L1170-Q1173 WeakPolarHBondContact O-CB 3.41Å; L1170-Q1173 PolarHBondContact O-N 3.38Å; L1170-Q1173 VanDerWaalsContact O-N 3.15Å; Q1173-F1175 VanDerWaalsContact C-N 3.3Å; Q1173-F1175 PolarHBondContact O-N 3.24Å; Q1173-L1176 PolarHBondContact O-N 3Å; Q1173-Q1177 WeakPolarHBondContact O-CG 3.34Å; Q1173-Q1177 PolarHBondContact O-N 3.13Å
1174L91.3Very high87.8Confident38 Ų3848.5 Ų48.520%0.19927%0.266CS..Hα-helixtrans-60.9-41.1175.3-67.8173.2000111.3L1170 A1171 Q1177 D1178 Y1214 K1217L1170-L1174 HydrophobicContact CG-CD1 4.49Å; L1170-L1174 WeakPolarHBondContact O-CG 3.44Å; L1170-L1174 PolarHBondContact O-N 2.95Å; A1171-L1174 PolarHBondContact O-N 2.99Å; L1174-Q1177 PolarHBondContact O-N 3.38Å; L1174-D1178 PolarHBondContact O-N 3.27Å; L1174-D1178 VanDerWaalsContact O-N 3.09Å; L1174-Y1214 HydrophobicContact CB-CD1 3.81Å; L1174-Y1214 HydrophobicContact CB-CE1 4.34Å; L1174-K1217 HydrophobicContact CD1-CB 3.84Å
1175F91.4Very high85.9Confident4 Ų453.4 Ų53.42%0.01830%0.296CS..Hα-helixtrans-61.3-48173.8173.1-96.6000111.8A1171 N1172 Q1173 Q1177 D1178 Q1179 F1199 F1200 Y1214A1171-F1175 WeakPolarHBondContact O-CB 3.43Å; A1171-F1175 PolarHBondContact O-N 2.87Å; N1172-F1175 PolarHBondContact O-N 3.44Å; Q1173-F1175 VanDerWaalsContact C-N 3.3Å; Q1173-F1175 PolarHBondContact O-N 3.24Å; F1175-Q1177 VanDerWaalsContact C-N 3.33Å; F1175-Q1177 PolarHBondContact O-N 3.25Å; F1175-D1178 PolarHBondContact O-N 2.98Å; F1175-Q1179 HydrophobicContact CD1-CG 4.03Å; F1175-Q1179 HydrophobicContact CD2-CG 4.45Å; F1175-Q1179 HydrophobicContact CE1-CG 3.58Å; F1175-Q1179 HydrophobicContact CE2-CG 4.07Å; F1175-Q1179 HydrophobicContact CG-CG 4.45Å; F1175-Q1179 HydrophobicContact CZ-CG 3.61Å; F1175-Q1179 WeakPolarHBondContact O-CG 3.27Å; F1175-Q1179 PolarHBondContact O-N 3.17Å; F1175-F1199 HydrophobicContact CE1-CB 4.15Å; F1175-F1199 HydrophobicContact CZ-CB 4.08Å; F1175-F1200 HydrophobicContact CB-CD2 3.68Å; F1175-F1200 HydrophobicContact CB-CE2 3.88Å; F1175-F1200 HydrophobicContact CD1-CB 3.91Å; F1175-F1200 AromaticContact CD1-CD2 3.83Å; F1175-F1200 HydrophobicContact CD1-CD2 3.83Å; F1175-F1200 HydrophobicContact CD1-CG 4.24Å; F1175-F1200 AromaticContact CD2-CD2 3.7Å; F1175-F1200 HydrophobicContact CD2-CD2 3.7Å; F1175-F1200 HydrophobicContact CD2-CE2 4.23Å; F1175-F1200 HydrophobicContact CE1-CB 4Å; F1175-F1200 HydrophobicContact CE1-CD2 4.38Å; F1175-F1200 HydrophobicContact CE2-CD2 4.25Å; F1175-F1200 HydrophobicContact CG-CB 4.42Å; F1175-F1200 AromaticContact CG-CD2 3.45Å; F1175-F1200 HydrophobicContact CG-CD2 3.45Å; F1175-F1200 VanDerWaalsContact CG-CD2 3.45Å; F1175-F1200 HydrophobicContact CG-CE2 4.08Å; F1175-F1200 HydrophobicContact CG-CG 4.29Å; F1175-Y1214 HydrophobicContact CB-CD1 4.23Å; F1175-Y1214 HydrophobicContact CB-CD2 4.26Å; F1175-Y1214 HydrophobicContact CB-CE1 4.24Å; F1175-Y1214 HydrophobicContact CB-CE2 4.27Å; F1175-Y1214 HydrophobicContact CB-CG 4.24Å; F1175-Y1214 HydrophobicContact CD2-CD2 4.14Å; F1175-Y1214 AromaticContact CD2-CE2 3.64Å; F1175-Y1214 HydrophobicContact CD2-CE2 3.64Å; F1175-Y1214 HydrophobicContact CG-CE2 4.46Å
1176L88.6Confident84Confident21 Ų2159.9 Ų59.911%0.1133%0.331CS..Hα-helixtrans-61-40.9178.5-73.6169.6000112N1172 Q1173 D1178 Q1179 V1180 L1188 C1197N1172-L1176 WeakPolarHBondContact O-CB 3.3Å; N1172-L1176 VanDerWaalsContact O-CG 3.24Å; N1172-L1176 WeakPolarHBondContact O-CG 3.49Å; N1172-L1176 PolarHBondContact O-N 3.08Å; Q1173-L1176 PolarHBondContact O-N 3Å; L1176-D1178 VanDerWaalsContact C-N 3.35Å; L1176-Q1179 PolarHBondContact O-N 3.32Å; L1176-V1180 VanDerWaalsContact O-CG2 3.29Å; L1176-V1180 WeakPolarHBondContact O-CG2 3.45Å; L1176-V1180 PolarHBondContact O-N 2.68Å; L1176-L1188 HydrophobicContact CD2-CB 4.15Å; L1176-L1188 HydrophobicContact CD2-CD1 3.79Å; L1176-L1188 HydrophobicContact CD2-CD2 4.39Å; L1176-L1188 HydrophobicContact CD2-CG 4.33Å; L1176-C1197 HydrophobicContact CD2-CB 3.87Å; L1176-C1197 HydrophobicContact CG-CB 4.46Å
1177Q88.1Confident82.4Confident125 Ų12561.2 Ų61.258%0.58434%0.339SS*.Hα-helixtrans-59.9-45.3175.3-741744.500111.5Q1173 L1174 F1175 V1180 S1181Q1173-Q1177 WeakPolarHBondContact O-CG 3.34Å; Q1173-Q1177 PolarHBondContact O-N 3.13Å; L1174-Q1177 PolarHBondContact O-N 3.38Å; F1175-Q1177 VanDerWaalsContact C-N 3.33Å; F1175-Q1177 PolarHBondContact O-N 3.25Å; Q1177-V1180 PolarHBondContact O-N 3.02Å; Q1177-S1181 WeakPolarHBondContact O-CB 3.49Å; Q1177-S1181 PolarHBondContact O-N 2.73Å
1178D88Confident81.3Confident45 Ų4563 Ų6324%0.24135%0.349CS..Hα-helixtrans-61.6-47.2174.9-80.1-1.5000110.7L1174 F1175 L1176 V1180 S1181 F1182 Y1214L1174-D1178 PolarHBondContact O-N 3.27Å; L1174-D1178 VanDerWaalsContact O-N 3.09Å; F1175-D1178 PolarHBondContact O-N 2.98Å; L1176-D1178 VanDerWaalsContact C-N 3.35Å; D1178-V1180 PolarHBondContact O-N 3.01Å; D1178-S1181 WeakPolarHBondContact O-CB 3.21Å; D1178-S1181 PolarHBondContact O-N 3Å; D1178-S1181 VanDerWaalsContact O-N 3.1Å; D1178-S1181 PolarHBondContact O-OG 2.82Å; D1178-F1182 HydrophobicContact CB-CE2 4.16Å; D1178-F1182 WeakPolarHBondContact O-CD2 3.4Å; D1178-F1182 PolarHBondContact O-N 3.31Å; D1178-F1182 VanDerWaalsContact O-N 3.07Å; D1178-Y1214 HydrophobicContact CB-CE1 4.42Å; D1178-Y1214 WeakPolarHBondContact CB-OH 3.37Å; D1178-Y1214 WeakPolarHBondContact OD2-CE1 3.39Å; D1178-Y1214 VanDerWaalsContact OD2-CZ 3.28Å; D1178-Y1214 PolarHBondContact OD2-OH 3.42Å
1179Q84.5Confident80.4Confident46 Ų4670 Ų7022%0.21538%0.381CS..Hα-helixtrans-60.1-41.5178.6-67.4-53.3-52.300113.1F1175 L1176 S1181 F1182 G1183 A1184 L1188F1175-Q1179 HydrophobicContact CD1-CG 4.03Å; F1175-Q1179 HydrophobicContact CD2-CG 4.45Å; F1175-Q1179 HydrophobicContact CE1-CG 3.58Å; F1175-Q1179 HydrophobicContact CE2-CG 4.07Å; F1175-Q1179 HydrophobicContact CG-CG 4.45Å; F1175-Q1179 HydrophobicContact CZ-CG 3.61Å; F1175-Q1179 WeakPolarHBondContact O-CG 3.27Å; F1175-Q1179 PolarHBondContact O-N 3.17Å; L1176-Q1179 PolarHBondContact O-N 3.32Å; Q1179-S1181 VanDerWaalsContact C-N 3.33Å; Q1179-F1182 PolarHBondContact O-N 3.28Å; Q1179-G1183 PolarHBondContact O-N 2.94Å; Q1179-A1184 PolarHBondContact O-N 2.79Å; Q1179-L1188 HydrophobicContact CB-CD1 4.12Å; Q1179-L1188 HydrophobicContact CB-CD2 4.26Å; Q1179-L1188 HydrophobicContact CG-CD2 4.43Å
1180V82.8Confident79.8Confident77 Ų7771.3 Ų71.347%0.46739%0.386SS..Hα-helixtrans-64.2-40.5175.1171.20000110.6L1176 Q1177 D1178 F1182 G1183 L1188L1176-V1180 VanDerWaalsContact O-CG2 3.29Å; L1176-V1180 WeakPolarHBondContact O-CG2 3.45Å; L1176-V1180 PolarHBondContact O-N 2.68Å; Q1177-V1180 PolarHBondContact O-N 3.02Å; D1178-V1180 PolarHBondContact O-N 3.01Å; V1180-F1182 PolarHBondContact O-N 3.11Å; V1180-G1183 PolarHBondContact O-N 2.95Å; V1180-L1188 HydrophobicContact CG2-CD1 4.21Å
1181S80.6Confident79.2Confident85 Ų8570.1 Ų70.159%0.59438%0.38SS*.Hα-helixtrans-63.7-25.9176.580.50000113.3Q1177 D1178 Q1179Q1177-S1181 WeakPolarHBondContact O-CB 3.49Å; Q1177-S1181 PolarHBondContact O-N 2.73Å; D1178-S1181 WeakPolarHBondContact O-CB 3.21Å; D1178-S1181 PolarHBondContact O-N 3Å; D1178-S1181 VanDerWaalsContact O-N 3.1Å; D1178-S1181 PolarHBondContact O-OG 2.82Å; Q1179-S1181 VanDerWaalsContact C-N 3.33Å
1182F78.7Confident78.4Confident125 Ų12579.5 Ų79.555%0.54842%0.424SS..THydrogen-bonded Turntrans-89.15.3174.3-64.3-59.4000114.2D1178 Q1179 V1180 Y1209D1178-F1182 HydrophobicContact CB-CE2 4.16Å; D1178-F1182 WeakPolarHBondContact O-CD2 3.4Å; D1178-F1182 PolarHBondContact O-N 3.31Å; D1178-F1182 VanDerWaalsContact O-N 3.07Å; Q1179-F1182 PolarHBondContact O-N 3.28Å; V1180-F1182 PolarHBondContact O-N 3.11Å; F1182-Y1209 HydrophobicContact CE2-CD1 4.4Å; F1182-Y1209 AromaticContact CE2-CE1 3.6Å; F1182-Y1209 HydrophobicContact CE2-CE1 3.6Å; F1182-Y1209 AromaticContact CZ-CE1 3.83Å; F1182-Y1209 HydrophobicContact CZ-CE1 3.83Å; F1182-Y1209 AromaticContact CZ-CZ 3.99Å; F1182-Y1209 WeakPolarHBondContact CZ-OH 3.36Å
1183G70.1Confident77.7Confident58 Ų5882.7 Ų82.760%0.59845%0.451SS*.THydrogen-bonded Turntrans92.214.8171.300000116.1Q1179 V1180 T1185Q1179-G1183 PolarHBondContact O-N 2.94Å; V1180-G1183 PolarHBondContact O-N 2.95Å; G1183-T1185 PolarHBondContact O-N 2.96Å
1184A64.6Low77.3Confident34 Ų3478.7 Ų78.728%0.28143%0.434SS..  trans-9180.3176.900000111.6Q1179 L1188Q1179-A1184 PolarHBondContact O-N 2.79Å; A1184-L1188 WeakPolarHBondContact O-CD1 3.46Å
1185T54.8Low77Confident103 Ų10378.6 Ų78.663%0.63244%0.441SS*.  trans-94-20.3-175.441.30000115.9G1183G1183-T1185 PolarHBondContact O-N 2.96Å
1186D51.7Low77Confident158 Ų15878.4 Ų78.485%0.84544%0.44SS*.SBendtrans-116.93.7-169.2-75-25.8000116.5
1187I59.1Low77Confident123 Ų12377.4 Ų77.463%0.63144%0.435SS*.  trans-123.51.4-171.3-48.4177.6000113.4E1189 F1199I1187-E1189 VanDerWaalsContact C-N 3.33Å; I1187-E1189 PolarHBondContact O-N 2.95Å; I1187-F1199 HydrophobicContact CG2-CE2 3.98Å; I1187-F1199 HydrophobicContact CG2-CZ 3.96Å; I1187-F1199 WeakPolarHBondContact O-CE2 3.5Å
1188L69.4Low76.9Confident39 Ų3974.2 Ų74.220%0.20442%0.42CS..  trans-82.570.3-173-60.5172.5000112.9L1176 Q1179 V1180 A1184 F1199L1176-L1188 HydrophobicContact CD2-CB 4.15Å; L1176-L1188 HydrophobicContact CD2-CD1 3.79Å; L1176-L1188 HydrophobicContact CD2-CD2 4.39Å; L1176-L1188 HydrophobicContact CD2-CG 4.33Å; Q1179-L1188 HydrophobicContact CB-CD1 4.12Å; Q1179-L1188 HydrophobicContact CB-CD2 4.26Å; Q1179-L1188 HydrophobicContact CG-CD2 4.43Å; V1180-L1188 HydrophobicContact CG2-CD1 4.21Å; A1184-L1188 WeakPolarHBondContact O-CD1 3.46Å; L1188-F1199 HydrophobicContact CD2-CD2 3.84Å; L1188-F1199 HydrophobicContact CD2-CE2 4.34Å
1189E76.9Confident76.8Confident145 Ų14575.5 Ų75.568%0.67842%0.424SS*.  trans-63.2134.8172.8-69.4-173.6170.700111.2I1187 H1198I1187-E1189 VanDerWaalsContact C-N 3.33Å; I1187-E1189 PolarHBondContact O-N 2.95Å; E1189-H1198 PolarHBondContact O-N 3.25Å
1190K81.7Confident77.1Confident117 Ų11773.3 Ų73.351%0.50941%0.414SS..BIsolated β-bridgetrans-108.9139.4177-64.4-179.3-177.7-177.30109.6Q1192 I1196K1190-Q1192 PolarHBondContact O-N 3.3Å; K1190-I1196 WeakPolarHBondContact CA-O 3.31Å
1191D79.2Confident77.3Confident25 Ų2569.7 Ų69.713%0.13439%0.392CS..  trans-61126168.8177.2-78.2000109.4A1193 T1194 G1195 I1196 Y1201D1191-A1193 VanDerWaalsContact C-N 3.27Å; D1191-A1193 PolarHBondContact O-N 3.24Å; D1191-A1193 WeakPolarHBondContact OD1-CA 3.12Å; D1191-A1193 WeakPolarHBondContact OD1-CB 3.46Å; D1191-A1193 PolarHBondContact OD1-N 3.37Å; D1191-T1194 WeakPolarHBondContact CB-OG1 3.34Å; D1191-T1194 PolarHBondContact OD1-N 3.44Å; D1191-T1194 PolarHBondContact OD1-OG1 2.96Å; D1191-G1195 VanDerWaalsContact O-CA 3.25Å; D1191-G1195 WeakPolarHBondContact O-CA 3.38Å; D1191-G1195 PolarHBondContact O-N 3.46Å; D1191-I1196 PolarHBondContact N-O 3.15Å; D1191-Y1201 HydrophobicContact CB-CE2 4.06Å
1192Q78.3Confident77.7Confident196 Ų19666.9 Ų66.992%0.91637%0.37SS*.THydrogen-bonded Turntrans-69.3-25.7-173.1-65.9-177.53.200113K1190K1190-Q1192 PolarHBondContact O-N 3.3Å
1193A79.1Confident78.1Confident74 Ų7462 Ų6261%0.61235%0.351SS*.THydrogen-bonded Turntrans-84-37.8-177.600000112D1191D1191-A1193 VanDerWaalsContact C-N 3.27Å; D1191-A1193 PolarHBondContact O-N 3.24Å; D1191-A1193 WeakPolarHBondContact OD1-CA 3.12Å; D1191-A1193 WeakPolarHBondContact OD1-CB 3.46Å; D1191-A1193 PolarHBondContact OD1-N 3.37Å
1194T84.3Confident78.9Confident15 Ų1560.7 Ų60.79%0.09234%0.335CS..THydrogen-bonded Turntrans-109.2-19.1-171.559.60000113.5Q1133 Y1136 D1191 I1196 Y1201Q1133-T1194 HydrophobicContact CG-CG2 4.24Å; Y1136-T1194 HydrophobicContact CD1-CG2 4.01Å; Y1136-T1194 HydrophobicContact CD2-CG2 4.05Å; Y1136-T1194 HydrophobicContact CG-CG2 3.72Å; D1191-T1194 WeakPolarHBondContact CB-OG1 3.34Å; D1191-T1194 PolarHBondContact OD1-N 3.44Å; D1191-T1194 PolarHBondContact OD1-OG1 2.96Å; T1194-I1196 PolarHBondContact O-N 3.49Å; T1194-Y1201 WeakPolarHBondContact CB-OH 3.4Å; T1194-Y1201 PolarHBondContact OG1-OH 3.25Å
1195G85.1Confident79.8Confident35 Ų3559.4 Ų59.436%0.36132%0.324SS..  trans72.36.2-17600000114.6N1172 D1191N1172-G1195 PolarHBondContact ND2-O 3.26Å; D1191-G1195 VanDerWaalsContact O-CA 3.25Å; D1191-G1195 WeakPolarHBondContact O-CA 3.38Å; D1191-G1195 PolarHBondContact O-N 3.46Å
1196I91.1Very high81Confident0 Ų056.5 Ų56.50%031%0.308CS..  trans-84141.2-179.9-56.9-58.8000110.3Y1136 L1139 V1168 N1172 K1190 D1191 T1194 F1200 Y1201Y1136-I1196 HydrophobicContact CD2-CG1 3.97Å; Y1136-I1196 HydrophobicContact CE2-CD1 4.34Å; Y1136-I1196 HydrophobicContact CE2-CG1 3.94Å; L1139-I1196 HydrophobicContact CD1-CG2 4.08Å; V1168-I1196 HydrophobicContact CG1-CD1 3.93Å; N1172-I1196 HydrophobicContact CB-CD1 3.74Å; K1190-I1196 WeakPolarHBondContact CA-O 3.31Å; D1191-I1196 PolarHBondContact N-O 3.15Å; T1194-I1196 PolarHBondContact O-N 3.49Å; I1196-F1200 HydrophobicContact CG2-CB 4.25Å; I1196-F1200 HydrophobicContact CG2-CD1 3.88Å; I1196-Y1201 HydrophobicContact CB-CD2 4.38Å; I1196-Y1201 HydrophobicContact CB-CE1 4.36Å; I1196-Y1201 HydrophobicContact CB-CE2 3.59Å; I1196-Y1201 WeakPolarHBondContact CB-OH 3.43Å; I1196-Y1201 HydrophobicContact CG2-CD1 4.29Å; I1196-Y1201 HydrophobicContact CG2-CD2 3.95Å; I1196-Y1201 HydrophobicContact CG2-CE1 3.96Å; I1196-Y1201 HydrophobicContact CG2-CE2 3.61Å; I1196-Y1201 HydrophobicContact CG2-CG 4.27Å
1197C89Confident82.4Confident0 Ų050 Ų500%028%0.277CS..BIsolated β-bridgetrans-70.2135.8177.8-175.90000111.5N1172 L1176 F1199 F1200 Y1201N1172-C1197 WeakPolarHBondContact OD1-CB 3.13Å; N1172-C1197 PolarHBondContact OD1-N 3.3Å; L1176-C1197 HydrophobicContact CD2-CB 3.87Å; L1176-C1197 HydrophobicContact CG-CB 4.46Å; C1197-F1199 PolarHBondContact O-N 3.32Å; C1197-F1200 HydrophobicContact CB-CB 4.19Å; C1197-F1200 WeakPolarHBondContact O-CB 3.47Å; C1197-F1200 PolarHBondContact O-N 3.45Å; C1197-Y1201 PolarHBondContact O-N 3.29Å
1198H85.4Confident83.1Confident59 Ų5947.7 Ų47.727%0.27328%0.277SS..Hα-helixtrans-58.4-34.4177.7-76.9-66.7000113.2E1189 F1200 Y1201 D1202E1189-H1198 PolarHBondContact O-N 3.25Å; H1198-F1200 VanDerWaalsContact C-N 3.31Å; H1198-F1200 PolarHBondContact O-N 2.94Å; H1198-Y1201 WeakPolarHBondContact O-CB 3.48Å; H1198-Y1201 PolarHBondContact O-N 3.21Å; H1198-D1202 PolarHBondContact O-N 3.45Å; H1198-D1202 VanDerWaalsContact O-N 3.15Å
1199F87Confident83.7Confident71 Ų7152 Ų5231%0.31129%0.292SS..Hα-helixtrans-69.2-27.7174.4-67.5-69.4000113.5F1175 I1187 L1188 C1197 D1202 S1203F1175-F1199 HydrophobicContact CE1-CB 4.15Å; F1175-F1199 HydrophobicContact CZ-CB 4.08Å; I1187-F1199 HydrophobicContact CG2-CE2 3.98Å; I1187-F1199 HydrophobicContact CG2-CZ 3.96Å; I1187-F1199 WeakPolarHBondContact O-CE2 3.5Å; L1188-F1199 HydrophobicContact CD2-CD2 3.84Å; L1188-F1199 HydrophobicContact CD2-CE2 4.34Å; C1197-F1199 PolarHBondContact O-N 3.32Å; F1199-D1202 CarbonylContact O-C 3.51Å; F1199-D1202 PolarHBondContact O-N 3.07Å; F1199-S1203 PolarHBondContact O-N 3.43Å; F1199-S1203 PolarHBondContact O-OG 3.2Å
1200F90.2Very high84.1Confident0 Ų045.3 Ų45.30%026%0.261CS..Hα-helixtrans-70.2-41174.1-167.7-116.9000110.5L1139 A1171 N1172 F1175 I1196 C1197 H1198 D1202 S1203 T1211 Y1214L1139-F1200 HydrophobicContact CD1-CD1 3.96Å; L1139-F1200 HydrophobicContact CD1-CE1 4.08Å; L1139-F1200 HydrophobicContact CD2-CE1 4.4Å; A1171-F1200 HydrophobicContact CB-CZ 4.11Å; N1172-F1200 HydrophobicContact CB-CD1 4.19Å; N1172-F1200 HydrophobicContact CB-CE1 4.37Å; F1175-F1200 HydrophobicContact CB-CD2 3.68Å; F1175-F1200 HydrophobicContact CB-CE2 3.88Å; F1175-F1200 HydrophobicContact CD1-CB 3.91Å; F1175-F1200 AromaticContact CD1-CD2 3.83Å; F1175-F1200 HydrophobicContact CD1-CD2 3.83Å; F1175-F1200 HydrophobicContact CD1-CG 4.24Å; F1175-F1200 AromaticContact CD2-CD2 3.7Å; F1175-F1200 HydrophobicContact CD2-CD2 3.7Å; F1175-F1200 HydrophobicContact CD2-CE2 4.23Å; F1175-F1200 HydrophobicContact CE1-CB 4Å; F1175-F1200 HydrophobicContact CE1-CD2 4.38Å; F1175-F1200 HydrophobicContact CE2-CD2 4.25Å; F1175-F1200 HydrophobicContact CG-CB 4.42Å; F1175-F1200 AromaticContact CG-CD2 3.45Å; F1175-F1200 HydrophobicContact CG-CD2 3.45Å; F1175-F1200 VanDerWaalsContact CG-CD2 3.45Å; F1175-F1200 HydrophobicContact CG-CE2 4.08Å; F1175-F1200 HydrophobicContact CG-CG 4.29Å; I1196-F1200 HydrophobicContact CG2-CB 4.25Å; I1196-F1200 HydrophobicContact CG2-CD1 3.88Å; C1197-F1200 HydrophobicContact CB-CB 4.19Å; C1197-F1200 WeakPolarHBondContact O-CB 3.47Å; C1197-F1200 PolarHBondContact O-N 3.45Å; H1198-F1200 VanDerWaalsContact C-N 3.31Å; H1198-F1200 PolarHBondContact O-N 2.94Å; F1200-D1202 PolarHBondContact O-N 3.03Å; F1200-S1203 WeakPolarHBondContact O-CB 3.49Å; F1200-S1203 PolarHBondContact O-N 3.29Å; F1200-S1203 VanDerWaalsContact O-N 3.13Å; F1200-T1211 HydrophobicContact CD2-CG2 4.05Å; F1200-T1211 HydrophobicContact CE1-CG2 4.29Å; F1200-T1211 HydrophobicContact CE2-CG2 3.76Å; F1200-T1211 HydrophobicContact CG-CG2 4.45Å; F1200-T1211 HydrophobicContact CZ-CG2 3.89Å; F1200-T1211 WeakPolarHBondContact O-CG2 3.44Å; F1200-Y1214 HydrophobicContact CE2-CD2 4.06Å; F1200-Y1214 HydrophobicContact CE2-CG 4.33Å
1201Y87.9Confident84.6Confident1 Ų139.7 Ų39.70%0.00424%0.236CC..Hα-helixtrans-60.9-26.5171.1-73.8-57.4000113.8L1068 R1071 E1135 Y1136 L1139 D1191 T1194 I1196 C1197 H1198L1068-Y1201 WeakPolarHBondContact CA-O 3.26Å; L1068-Y1201 HydrophobicContact CD1-CG 4.23Å; L1068-Y1201 PolarHBondContact N-O 3.07Å; R1071-Y1201 PolarHBondContact NH1-O 3.41Å; E1135-Y1201 HydrophobicContact CB-CD1 3.89Å; E1135-Y1201 HydrophobicContact CB-CE1 4.04Å; E1135-Y1201 HydrophobicContact CB-CG 4.49Å; E1135-Y1201 HydrophobicContact CG-CD1 3.97Å; E1135-Y1201 HydrophobicContact CG-CE1 3.83Å; E1135-Y1201 HydrophobicContact CG-CE2 4.39Å; E1135-Y1201 HydrophobicContact CG-CG 4.34Å; Y1136-Y1201 WeakPolarHBondContact CB-OH 3.43Å; Y1136-Y1201 HydrophobicContact CD2-CE1 4.5Å; Y1136-Y1201 WeakPolarHBondContact CD2-OH 3.34Å; L1139-Y1201 HydrophobicContact CD1-CD1 3.54Å; L1139-Y1201 HydrophobicContact CD1-CE1 3.39Å; L1139-Y1201 HydrophobicContact CG-CD1 4.12Å; L1139-Y1201 HydrophobicContact CG-CE1 4.11Å; D1191-Y1201 HydrophobicContact CB-CE2 4.06Å; T1194-Y1201 WeakPolarHBondContact CB-OH 3.4Å; T1194-Y1201 PolarHBondContact OG1-OH 3.25Å; I1196-Y1201 HydrophobicContact CB-CD2 4.38Å; I1196-Y1201 HydrophobicContact CB-CE1 4.36Å; I1196-Y1201 HydrophobicContact CB-CE2 3.59Å; I1196-Y1201 WeakPolarHBondContact CB-OH 3.43Å; I1196-Y1201 HydrophobicContact CG2-CD1 4.29Å; I1196-Y1201 HydrophobicContact CG2-CD2 3.95Å; I1196-Y1201 HydrophobicContact CG2-CE1 3.96Å; I1196-Y1201 HydrophobicContact CG2-CE2 3.61Å; I1196-Y1201 HydrophobicContact CG2-CG 4.27Å; C1197-Y1201 PolarHBondContact O-N 3.29Å; H1198-Y1201 WeakPolarHBondContact O-CB 3.48Å; H1198-Y1201 PolarHBondContact O-N 3.21Å
1202D87.4Confident85Confident27 Ų2738.7 Ų38.714%0.14423%0.231CC..THydrogen-bonded Turntrans-98.73.9178.2-160.442.1000114.1G1065 Q1066 W1067 L1068 H1198 F1199 F1200G1065-D1202 VanDerWaalsContact CA-CG 3.47Å; G1065-D1202 WeakPolarHBondContact CA-OD1 3.33Å; G1065-D1202 WeakPolarHBondContact CA-OD2 2.98Å; G1065-D1202 VanDerWaalsContact N-CG 3.29Å; G1065-D1202 PolarHBondContact N-OD1 3.04Å; G1065-D1202 PolarHBondContact N-OD2 3.04Å; Q1066-D1202 PolarHBondContact N-OD1 3.27Å; W1067-D1202 WeakPolarHBondContact CB-O 3.33Å; W1067-D1202 PolarHBondContact N-OD1 2.97Å; L1068-D1202 HydrophobicContact CB-CB 4.09Å; L1068-D1202 PolarHBondContact N-OD1 2.89Å; H1198-D1202 PolarHBondContact O-N 3.45Å; H1198-D1202 VanDerWaalsContact O-N 3.15Å; F1199-D1202 CarbonylContact O-C 3.51Å; F1199-D1202 PolarHBondContact O-N 3.07Å; F1200-D1202 PolarHBondContact O-N 3.03Å
1203S88.3Confident85.6Confident21 Ų2130.8 Ų30.815%0.14720%0.196CC..SBendtrans-79.3139.2176.6-69.30000111.2R1071 F1199 F1200R1071-S1203 PolarHBondContact NH1-O 2.94Å; R1071-S1203 PolarHBondContact NH2-O 3.47Å; R1071-S1203 VanDerWaalsContact NH2-O 3.07Å; F1199-S1203 PolarHBondContact O-N 3.43Å; F1199-S1203 PolarHBondContact O-OG 3.2Å; F1200-S1203 WeakPolarHBondContact O-CB 3.49Å; F1200-S1203 PolarHBondContact O-N 3.29Å; F1200-S1203 VanDerWaalsContact O-N 3.13Å
1204A87.1Confident86.3Confident31 Ų3127.3 Ų27.326%0.25617%0.167SC..  trans-57.8149.8177.500000111.9W1067 G1210 T1211W1067-A1204 HydrophobicContact CD2-CB 4.41Å; W1067-A1204 HydrophobicContact CZ2-CB 4Å; A1204-G1210 CarbonylContact O-C 3.56Å; A1204-G1210 WeakPolarHBondContact O-CA 3.37Å; A1204-T1211 PolarHBondContact O-N 3.38Å; A1204-T1211 PolarHBondContact O-OG1 3.45Å
1205P83.8Confident86.7Confident8 Ų826.6 Ų26.65%0.05216%0.163CC..SBendtrans-57.8-47.1174-28.736.5000113.1W1067 T1211 M1212W1067-P1205 VanDerWaalsContact CE3-CD 3.42Å; W1067-P1205 HydrophobicContact CE3-CG 4.04Å; W1067-P1205 HydrophobicContact CH2-CG 4.3Å; W1067-P1205 HydrophobicContact CZ3-CG 3.75Å; P1205-T1211 VanDerWaalsContact CA-OG1 3.31Å; P1205-T1211 WeakPolarHBondContact CA-OG1 3.47Å; P1205-M1212 HydrophobicContact CB-CG 4.28Å; P1205-M1212 WeakPolarHBondContact O-CB 3.24Å; P1205-M1212 WeakPolarHBondContact O-CG 3.45Å; P1205-M1212 PolarHBondContact O-N 3.31Å
1206S79.9Confident87Confident42 Ų4226.9 Ų26.929%0.29416%0.158SC..SBendtrans-104.8155.7-17660.80000113.4
1207G79.9Confident86.9Confident20 Ų2031.4 Ų31.421%0.20618%0.177CC..SBendtrans121.4168.7175.500000112.5Y1209 G1210 T1213G1207-Y1209 PolarHBondContact O-N 3.33Å; G1207-G1210 PolarHBondContact O-N 3.15Å; G1207-T1213 PolarHBondContact O-OG1 3.18Å
1208A74.3Confident87.1Confident75 Ų7531.4 Ų31.462%0.6218%0.177SC*.THydrogen-bonded Turntrans-59-30.9-176.700000113.4
1209Y80.9Confident87.3Confident131 Ų13128.9 Ų28.951%0.51417%0.166SC..THydrogen-bonded Turntrans-11319.1175.3-55-78.2000112.1F1182 G1207 Y1214F1182-Y1209 HydrophobicContact CE2-CD1 4.4Å; F1182-Y1209 AromaticContact CE2-CE1 3.6Å; F1182-Y1209 HydrophobicContact CE2-CE1 3.6Å; F1182-Y1209 AromaticContact CZ-CE1 3.83Å; F1182-Y1209 HydrophobicContact CZ-CE1 3.83Å; F1182-Y1209 AromaticContact CZ-CZ 3.99Å; F1182-Y1209 WeakPolarHBondContact CZ-OH 3.36Å; G1207-Y1209 PolarHBondContact O-N 3.33Å; Y1209-Y1214 WeakPolarHBondContact CD1-OH 3.44Å
1210G87Confident87.2Confident3 Ų328 Ų283%0.03117%0.172CC..SBendtrans-78.4154.2177.600000112.3A1204 G1207 M1212 T1213 Y1214A1204-G1210 CarbonylContact O-C 3.56Å; A1204-G1210 WeakPolarHBondContact O-CA 3.37Å; G1207-G1210 PolarHBondContact O-N 3.15Å; G1210-M1212 VanDerWaalsContact C-N 3.32Å; G1210-M1212 PolarHBondContact O-N 2.71Å; G1210-T1213 WeakPolarHBondContact O-CB 3.42Å; G1210-T1213 PolarHBondContact O-N 2.9Å; G1210-Y1214 WeakPolarHBondContact O-CD2 3.37Å; G1210-Y1214 PolarHBondContact O-N 2.92Å
1211T90.6Very high87Confident0 Ų030.5 Ų30.50%019%0.19CC..Hα-helixtrans-53.9-42.3-179.747.90000113.4R1071 L1139 E1142 F1200 A1204 P1205 T1213 Y1214 L1215R1071-T1211 VanDerWaalsContact NH2-CG2 3.31Å; R1071-T1211 PolarHBondContact NH2-OG1 3.06Å; L1139-T1211 HydrophobicContact CD2-CG2 4.21Å; E1142-T1211 PolarHBondContact OE2-OG1 2.95Å; E1142-T1211 VanDerWaalsContact OE2-OG1 3.11Å; F1200-T1211 HydrophobicContact CD2-CG2 4.05Å; F1200-T1211 HydrophobicContact CE1-CG2 4.29Å; F1200-T1211 HydrophobicContact CE2-CG2 3.76Å; F1200-T1211 HydrophobicContact CG-CG2 4.45Å; F1200-T1211 HydrophobicContact CZ-CG2 3.89Å; F1200-T1211 WeakPolarHBondContact O-CG2 3.44Å; A1204-T1211 PolarHBondContact O-N 3.38Å; A1204-T1211 PolarHBondContact O-OG1 3.45Å; P1205-T1211 VanDerWaalsContact CA-OG1 3.31Å; P1205-T1211 WeakPolarHBondContact CA-OG1 3.47Å; T1211-T1213 PolarHBondContact O-N 3.2Å; T1211-Y1214 PolarHBondContact O-N 3.22Å; T1211-L1215 WeakPolarHBondContact O-CB 3.43Å; T1211-L1215 VanDerWaalsContact O-CG 3.3Å; T1211-L1215 WeakPolarHBondContact O-CG 3.16Å; T1211-L1215 PolarHBondContact O-N 3.42Å
1212M89Confident86.6Confident3 Ų331.1 Ų31.12%0.01519%0.192CC..Hα-helixtrans-63.1-29.5179.3-64.9-71.3-7400113.1I1000 L1003 E1142 V1146 P1205 G1210 L1215 T1216I1000-M1212 HydrophobicContact CD1-CE 3.94Å; I1000-M1212 HydrophobicContact CG1-CE 3.45Å; I1000-M1212 VanDerWaalsContact CG1-CE 3.45Å; L1003-M1212 HydrophobicContact CD1-CB 4.06Å; E1142-M1212 HydrophobicContact CB-SD 3.84Å; E1142-M1212 HydrophobicContact CG-SD 4.25Å; V1146-M1212 HydrophobicContact CG2-CE 3.36Å; V1146-M1212 HydrophobicContact CG2-SD 3.79Å; P1205-M1212 HydrophobicContact CB-CG 4.28Å; P1205-M1212 WeakPolarHBondContact O-CB 3.24Å; P1205-M1212 WeakPolarHBondContact O-CG 3.45Å; P1205-M1212 PolarHBondContact O-N 3.31Å; G1210-M1212 VanDerWaalsContact C-N 3.32Å; G1210-M1212 PolarHBondContact O-N 2.71Å; M1212-L1215 HydrophobicContact SD-CD1 4.28Å; M1212-T1216 WeakPolarHBondContact O-CB 3.34Å; M1212-T1216 PolarHBondContact O-N 2.72Å; M1212-T1216 PolarHBondContact O-OG1 3.22Å
1213T89.6Confident86Confident31 Ų3131.5 Ų31.519%0.1919%0.194CC..Hα-helixtrans-69.1-45.5177-60.20000110.7G1207 G1210 T1211 T1216 K1217G1207-T1213 PolarHBondContact O-OG1 3.18Å; G1210-T1213 WeakPolarHBondContact O-CB 3.42Å; G1210-T1213 PolarHBondContact O-N 2.9Å; T1211-T1213 PolarHBondContact O-N 3.2Å; T1213-T1216 PolarHBondContact O-N 3.24Å; T1213-K1217 WeakPolarHBondContact O-CG 3.46Å; T1213-K1217 PolarHBondContact O-N 2.96Å
1214Y93.6Very high85Confident0 Ų035.5 Ų35.50%021%0.211CC..Hα-helixtrans-67.1-39.8175.7-69.3-74.4000112.3L1174 F1175 D1178 F1200 Y1209 G1210 T1211 T1216 K1217 A1218L1174-Y1214 HydrophobicContact CB-CD1 3.81Å; L1174-Y1214 HydrophobicContact CB-CE1 4.34Å; F1175-Y1214 HydrophobicContact CB-CD1 4.23Å; F1175-Y1214 HydrophobicContact CB-CD2 4.26Å; F1175-Y1214 HydrophobicContact CB-CE1 4.24Å; F1175-Y1214 HydrophobicContact CB-CE2 4.27Å; F1175-Y1214 HydrophobicContact CB-CG 4.24Å; F1175-Y1214 HydrophobicContact CD2-CD2 4.14Å; F1175-Y1214 AromaticContact CD2-CE2 3.64Å; F1175-Y1214 HydrophobicContact CD2-CE2 3.64Å; F1175-Y1214 HydrophobicContact CG-CE2 4.46Å; D1178-Y1214 HydrophobicContact CB-CE1 4.42Å; D1178-Y1214 WeakPolarHBondContact CB-OH 3.37Å; D1178-Y1214 WeakPolarHBondContact OD2-CE1 3.39Å; D1178-Y1214 VanDerWaalsContact OD2-CZ 3.28Å; D1178-Y1214 PolarHBondContact OD2-OH 3.42Å; F1200-Y1214 HydrophobicContact CE2-CD2 4.06Å; F1200-Y1214 HydrophobicContact CE2-CG 4.33Å; Y1209-Y1214 WeakPolarHBondContact CD1-OH 3.44Å; G1210-Y1214 WeakPolarHBondContact O-CD2 3.37Å; G1210-Y1214 PolarHBondContact O-N 2.92Å; T1211-Y1214 PolarHBondContact O-N 3.22Å; Y1214-T1216 VanDerWaalsContact C-N 3.32Å; Y1214-T1216 PolarHBondContact O-N 2.9Å; Y1214-K1217 PolarHBondContact O-N 3.43Å; Y1214-A1218 WeakPolarHBondContact O-CB 3.44Å; Y1214-A1218 PolarHBondContact O-N 3.09Å
1215L93.5Very high83.9Confident0 Ų041.1 Ų41.10%023%0.232CC..Hα-helixtrans-61.1-40.9173.1-70.7169.7000111.5E1142 A1143 V1146 I1167 V1168 A1171 T1211 M1212 A1218 V1219E1142-L1215 HydrophobicContact CB-CD1 3.8Å; A1143-L1215 HydrophobicContact CB-CD1 4.43Å; A1143-L1215 HydrophobicContact CB-CD2 3.8Å; V1146-L1215 HydrophobicContact CG2-CB 4.07Å; I1167-L1215 HydrophobicContact CG2-CD2 4.32Å; V1168-L1215 HydrophobicContact CG2-CD2 4.1Å; A1171-L1215 HydrophobicContact CB-CD2 3.74Å; A1171-L1215 HydrophobicContact CB-CG 4.18Å; T1211-L1215 WeakPolarHBondContact O-CB 3.43Å; T1211-L1215 VanDerWaalsContact O-CG 3.3Å; T1211-L1215 WeakPolarHBondContact O-CG 3.16Å; T1211-L1215 PolarHBondContact O-N 3.42Å; M1212-L1215 HydrophobicContact SD-CD1 4.28Å; L1215-A1218 PolarHBondContact O-N 3.45Å; L1215-V1219 WeakPolarHBondContact O-CB 3.47Å; L1215-V1219 VanDerWaalsContact O-CG2 3.3Å; L1215-V1219 WeakPolarHBondContact O-CG2 3.35Å; L1215-V1219 PolarHBondContact O-N 2.89Å
1216T90.6Very high82.8Confident41 Ų4144.3 Ų44.325%0.25225%0.245SC..Hα-helixtrans-63.2-44.8175.8-58.20000111.9M1212 T1213 Y1214 V1219 A1220M1212-T1216 WeakPolarHBondContact O-CB 3.34Å; M1212-T1216 PolarHBondContact O-N 2.72Å; M1212-T1216 PolarHBondContact O-OG1 3.22Å; T1213-T1216 PolarHBondContact O-N 3.24Å; Y1214-T1216 VanDerWaalsContact C-N 3.32Å; Y1214-T1216 PolarHBondContact O-N 2.9Å; T1216-V1219 PolarHBondContact O-N 3.19Å; T1216-A1220 WeakPolarHBondContact O-CB 2.92Å; T1216-A1220 PolarHBondContact O-N 2.64Å
1217K90.4Very high81.6Confident95 Ų9546.9 Ų46.941%0.41326%0.255SS..Hα-helixtrans-59.6-46.2174.2-70.3175.9-179.3178.30111.2L1174 T1213 Y1214 A1220 S1221L1174-K1217 HydrophobicContact CD1-CB 3.84Å; T1213-K1217 WeakPolarHBondContact O-CG 3.46Å; T1213-K1217 PolarHBondContact O-N 2.96Å; Y1214-K1217 PolarHBondContact O-N 3.43Å; K1217-A1220 PolarHBondContact O-N 2.59Å; K1217-S1221 PolarHBondContact O-N 3.46Å; K1217-S1221 PolarHBondContact O-OG 3.39Å
1218A92.3Very high80.1Confident0 Ų050.8 Ų50.80%028%0.276CS..Hα-helixtrans-62.8-43.7179.300000112.5I1167 L1170 A1171 Y1214 L1215 A1220 S1221 H1222I1167-A1218 HydrophobicContact CG2-CB 4.05Å; I1167-A1218 WeakPolarHBondContact O-CB 3.34Å; L1170-A1218 HydrophobicContact CB-CB 4.05Å; L1170-A1218 HydrophobicContact CD2-CB 3.97Å; L1170-A1218 HydrophobicContact CG-CB 3.94Å; A1171-A1218 HydrophobicContact CB-CB 3.92Å; Y1214-A1218 WeakPolarHBondContact O-CB 3.44Å; Y1214-A1218 PolarHBondContact O-N 3.09Å; L1215-A1218 PolarHBondContact O-N 3.45Å; A1218-A1220 PolarHBondContact O-N 3.07Å; A1218-S1221 PolarHBondContact O-N 3.25Å; A1218-H1222 WeakPolarHBondContact O-CB 3.46Å; A1218-H1222 PolarHBondContact O-N 2.92Å
1219V89.1Confident78.5Confident7 Ų753.6 Ų53.64%0.04229%0.292CS..Hα-helixtrans-59.7-46174.2167.70000110.8V1146 L1147 L1150 I1167 L1215 T1216 S1221 H1222 L1223V1146-V1219 HydrophobicContact CB-CG2 4.47Å; V1146-V1219 HydrophobicContact CG1-CB 4.25Å; V1146-V1219 HydrophobicContact CG1-CG2 3.89Å; L1147-V1219 HydrophobicContact CD2-CB 4.46Å; L1147-V1219 HydrophobicContact CD2-CG1 3.79Å; L1147-V1219 HydrophobicContact CD2-CG2 3.83Å; L1147-V1219 HydrophobicContact CG-CG2 4.07Å; L1150-V1219 HydrophobicContact CD1-CG1 3.95Å; I1167-V1219 HydrophobicContact CD1-CG2 4.21Å; I1167-V1219 HydrophobicContact CG2-CG2 3.68Å; L1215-V1219 WeakPolarHBondContact O-CB 3.47Å; L1215-V1219 VanDerWaalsContact O-CG2 3.3Å; L1215-V1219 WeakPolarHBondContact O-CG2 3.35Å; L1215-V1219 PolarHBondContact O-N 2.89Å; T1216-V1219 PolarHBondContact O-N 3.19Å; V1219-S1221 PolarHBondContact O-N 3.35Å; V1219-H1222 PolarHBondContact O-N 3.21Å; V1219-L1223 HydrophobicContact CG1-CD1 4.01Å; V1219-L1223 HydrophobicContact CG1-CG 4.39Å; V1219-L1223 VanDerWaalsContact O-CG 3.3Å; V1219-L1223 WeakPolarHBondContact O-CG 3.29Å; V1219-L1223 PolarHBondContact O-N 3.29Å
1220A85.8Confident76.6Confident52 Ų5252.1 Ų52.143%0.4330%0.3SS..Hα-helixtrans-61.5-43.2178.700000112.3T1216 K1217 A1218 Q1224T1216-A1220 WeakPolarHBondContact O-CB 2.92Å; T1216-A1220 PolarHBondContact O-N 2.64Å; K1217-A1220 PolarHBondContact O-N 2.59Å; A1218-A1220 PolarHBondContact O-N 3.07Å; A1220-Q1224 PolarHBondContact O-N 2.84Å
1221S85.3Confident74.2Confident53 Ų5355.7 Ų55.737%0.37134%0.337SS..Hα-helixtrans-64.2-42.7175-64.50000112.4K1217 A1218 V1219 L1223 Q1224K1217-S1221 PolarHBondContact O-N 3.46Å; K1217-S1221 PolarHBondContact O-OG 3.39Å; A1218-S1221 PolarHBondContact O-N 3.25Å; V1219-S1221 PolarHBondContact O-N 3.35Å; S1221-L1223 PolarHBondContact O-N 3.37Å; S1221-Q1224 PolarHBondContact O-N 3.49Å
1222H80.5Confident71.5Confident14 Ų1461.7 Ų61.77%0.06538%0.377CS..Hα-helixtrans-66-36.8179.8-167.562.9000112.2I1167 A1218 V1219 Q1224 E1225 F1226I1167-H1222 HydrophobicContact CG1-CB 4.33Å; A1218-H1222 WeakPolarHBondContact O-CB 3.46Å; A1218-H1222 PolarHBondContact O-N 2.92Å; V1219-H1222 PolarHBondContact O-N 3.21Å; H1222-Q1224 VanDerWaalsContact C-N 3.33Å; H1222-Q1224 PolarHBondContact O-N 3.03Å; H1222-E1225 IonicContact ND1-OE2 3.4Å; H1222-E1225 WeakPolarHBondContact O-CB 3.37Å; H1222-E1225 PolarHBondContact O-N 3.1Å; H1222-F1226 AromaticContact CD2-CE2 3.93Å; H1222-F1226 AromaticContact NE2-CE2 3.67Å; H1222-F1226 VanDerWaalsContact O-CD2 3.32Å; H1222-F1226 WeakPolarHBondContact O-CD2 3.48Å
1223L73.4Confident69Low34 Ų3471 Ų7118%0.17842%0.421CS..Hα-helixtrans-68.9-28.1176.4-69.4173.5000113.6L1150 I1158 V1219 S1221 E1225 F1226 L1227L1150-L1223 HydrophobicContact CD1-CD1 3.45Å; L1150-L1223 VanDerWaalsContact CD1-CD1 3.45Å; L1150-L1223 HydrophobicContact CD1-CD2 4.1Å; L1150-L1223 HydrophobicContact CD1-CG 4.25Å; L1150-L1223 HydrophobicContact CD2-CD1 3.6Å; L1150-L1223 HydrophobicContact CG-CD1 4.16Å; I1158-L1223 HydrophobicContact CG2-CD2 3.55Å; V1219-L1223 HydrophobicContact CG1-CD1 4.01Å; V1219-L1223 HydrophobicContact CG1-CG 4.39Å; V1219-L1223 VanDerWaalsContact O-CG 3.3Å; V1219-L1223 WeakPolarHBondContact O-CG 3.29Å; V1219-L1223 PolarHBondContact O-N 3.29Å; S1221-L1223 PolarHBondContact O-N 3.37Å; L1223-E1225 PolarHBondContact O-N 2.91Å; L1223-F1226 PolarHBondContact O-N 3.43Å; L1223-F1226 VanDerWaalsContact O-N 3.13Å; L1223-L1227 PolarHBondContact O-N 2.97Å
1224Q69.3Low66.3Low106 Ų10678.1 Ų78.150%0.49545%0.454SS..Hα-helixtrans-62.1-26.4175.5-75.3178.1-8.700112.3A1220 S1221 H1222 F1226 Q1235A1220-Q1224 PolarHBondContact O-N 2.84Å; S1221-Q1224 PolarHBondContact O-N 3.49Å; H1222-Q1224 VanDerWaalsContact C-N 3.33Å; H1222-Q1224 PolarHBondContact O-N 3.03Å; Q1224-F1226 VanDerWaalsContact C-N 3.31Å; Q1224-F1226 PolarHBondContact O-N 3.28Å; Q1224-Q1235 VanDerWaalsContact NE2-NE2 3.12Å
1225E63.4Low63.3Low149 Ų14988.9 Ų88.970%0.69651%0.505SS*.THydrogen-bonded Turntrans-73.2-20.9177.2-61.2-178.9160.700113.2H1222 L1223H1222-E1225 IonicContact ND1-OE2 3.4Å; H1222-E1225 WeakPolarHBondContact O-CB 3.37Å; H1222-E1225 PolarHBondContact O-N 3.1Å; L1223-E1225 PolarHBondContact O-N 2.91Å
1226F59.8Low61.8Low74 Ų7493.4 Ų93.433%0.32553%0.53SS..THydrogen-bonded Turntrans-97.3-9.3-179.6-68.6-77.5000114.1H1222 L1223 Q1224H1222-F1226 AromaticContact CD2-CE2 3.93Å; H1222-F1226 AromaticContact NE2-CE2 3.67Å; H1222-F1226 VanDerWaalsContact O-CD2 3.32Å; H1222-F1226 WeakPolarHBondContact O-CD2 3.48Å; L1223-F1226 PolarHBondContact O-N 3.43Å; L1223-F1226 VanDerWaalsContact O-N 3.13Å; Q1224-F1226 VanDerWaalsContact C-N 3.31Å; Q1224-F1226 PolarHBondContact O-N 3.28Å
1227L55.9Low60.3Low97 Ų9796.1 Ų96.151%0.50855%0.545SS..SBendtrans-72133.4173.9-70.5169.8000109.4M1155 L1223 S1229M1155-L1227 HydrophobicContact CE-CD2 4.47Å; L1223-L1227 PolarHBondContact O-N 2.97Å; L1227-S1229 PolarHBondContact O-N 3.36Å
1228P47.2Very low58.6Low101 Ų10196.2 Ų96.266%0.65655%0.552SS**  trans-57.7128.3175.422-29.7000108.9S1230P1228-S1230 PolarHBondContact O-N 3.15Å
1229S41.3Very low56.7Low135 Ų135101.8 Ų101.894%0.94458%0.584SS**SBendtrans-67.123.5179.541.30000113.9L1227L1227-S1229 PolarHBondContact O-N 3.36Å
1230S40.9Very low54.6Low100 Ų100107.8 Ų107.870%0.69962%0.618SS**SBendtrans-132.398.5178.221.90000110.9P1228P1228-S1230 PolarHBondContact O-N 3.15Å
1231G37.2Very low52.6Low78 Ų78111.5 Ų111.580%0.80463%0.631SS**SBendtrans99.884.9150.100000117
1232C33.7Very low50.2Low125 Ų125115.6 Ų115.685%0.84565%0.649SS**  168.3126.696.8-1470000109.2M1234C1232-M1234 VanDerWaalsContact C-N 3.31Å; C1232-M1234 PolarHBondContact O-N 3.02Å
1233Q36.4Very low47.9Very low198 Ų198123.5 Ų123.593%0.92569%0.694SS**  trans-71.681.1172-72.8175.1-40.500110
1234M32.9Very low45.8Very low181 Ų181130.9 Ų130.989%0.89274%0.737SS**  trans-14186.5152.6-77.3-145.780.900107.3C1232C1232-M1234 VanDerWaalsContact C-N 3.31Å; C1232-M1234 PolarHBondContact O-N 3.02Å
1235Q31.3Very low43.6Very low227 Ų227133.2 Ų133.2100%1.06176%0.759SS**  trans-1140172.1-129.1-178.48.600108.1Q1224Q1224-Q1235 VanDerWaalsContact NE2-NE2 3.12Å

Retrieved 1,235 of 1,235 residues in 500.9 ms (Link to these results)

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