A0A087XM02_POEFO 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 A0A087XM02, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,220 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
1M40.1Very low70.4Confident252 Ų25298 Ų98100%1.24150%0.499SS*.  01040-7517016700108.1
2R45.7Very low72.2Confident234 Ų23493 Ų9388%0.88347%0.474SS*.PPolyproline II helixtrans-75.3124.3174.2-78.3-178.5175.3173.9-1.8108.3R67R2-R67 PolarHBondContact O-NH2 3.1Å
3S57.5Low73.7Confident117 Ų11791.9 Ų91.982%0.81847%0.47SS*.PPolyproline II helixtrans-56.8137.4178.959.10000110.5
4R61.8Low75.2Confident61 Ų6187.4 Ų87.423%0.2345%0.445CS..PPolyproline II helixtrans-66.4149.3173.9-151.8179.9-170.2147.610.8108.9V9 D12 D70R4-V9 HydrophobicContact CB-CG2 4.48Å; R4-D12 IonicContact CZ-OD2 3.45Å; R4-D12 IonicContact NE-OD2 3.6Å; R4-D12 IonicContact NH1-OD2 2.77Å; R4-D12 PolarHBondContact NH1-OD2 2.61Å; R4-D12 IonicContact NH2-OD1 2.69Å; R4-D12 IonicContact NH2-OD2 3.3Å; R4-D70 IonicContact CZ-OD1 3.21Å; R4-D70 IonicContact NE-OD1 3.97Å; R4-D70 IonicContact NH2-OD1 2.78Å; R4-D70 PolarHBondContact NH2-OD1 3.06Å
5S69.3Low76.5Confident37 Ų3783.1 Ų83.126%0.25943%0.427SS..PPolyproline II helixtrans-61.8147.3174.249.10000110.4S7 G8 V9 D66S5-S7 WeakPolarHBondContact CB-OG 3.28Å; S5-S7 PolarHBondContact O-N 3.46Å; S5-S7 PolarHBondContact OG-OG 3.08Å; S5-G8 PolarHBondContact O-N 3.27Å; S5-G8 VanDerWaalsContact O-N 3.08Å; S5-V9 PolarHBondContact O-N 2.86Å; S5-D66 WeakPolarHBondContact CB-OD2 3.35Å; S5-D66 PolarHBondContact OG-OD2 3.48Å
6N76.9Confident77.7Confident143 Ų14383.6 Ų83.677%0.76542%0.422SS*.Hα-helixtrans-58.4-29.7177.3-83.1-13.4000112.2K10N6-K10 PolarHBondContact O-N 2.6Å
7S77.8Confident78.7Confident38 Ų3879.8 Ų79.827%0.26640%0.404SS..Hα-helixtrans-62.4-47.8172.844.80000112.1S5 V9 K10 L11S5-S7 WeakPolarHBondContact CB-OG 3.28Å; S5-S7 PolarHBondContact O-N 3.46Å; S5-S7 PolarHBondContact OG-OG 3.08Å; S7-V9 VanDerWaalsContact C-N 3.31Å; S7-V9 PolarHBondContact O-N 3.22Å; S7-K10 PolarHBondContact O-N 2.89Å; S7-L11 WeakPolarHBondContact O-CG 3.45Å; S7-L11 PolarHBondContact O-N 3.2Å
8G81.2Confident79.6Confident4 Ų475.3 Ų75.34%0.04138%0.381CS..Hα-helixtrans-60.5-38178.100000113.3S5 L11 D12S5-G8 PolarHBondContact O-N 3.27Å; S5-G8 VanDerWaalsContact O-N 3.08Å; G8-L11 PolarHBondContact O-N 3.47Å; G8-D12 WeakPolarHBondContact O-CB 3.15Å; G8-D12 VanDerWaalsContact O-CG 3.26Å; G8-D12 PolarHBondContact O-N 3Å
9V85.1Confident80.5Confident84 Ų8476.4 Ų76.451%0.50939%0.385SS..Hα-helixtrans-66.3-41.3176.8179.40000111.7R4 S5 S7 D12 N13R4-V9 HydrophobicContact CB-CG2 4.48Å; S5-V9 PolarHBondContact O-N 2.86Å; S7-V9 VanDerWaalsContact C-N 3.31Å; S7-V9 PolarHBondContact O-N 3.22Å; V9-D12 PolarHBondContact O-N 3.26Å; V9-N13 PolarHBondContact O-N 2.85Å; V9-N13 VanDerWaalsContact O-N 3.17Å
10K88.4Confident81.1Confident106 Ų10675.7 Ų75.746%0.46138%0.38SS..Hα-helixtrans-66-44176.2-78-175.6165-158.60112.2N6 S7 D12 N13 Y14 E415 F417N6-K10 PolarHBondContact O-N 2.6Å; S7-K10 PolarHBondContact O-N 2.89Å; K10-D12 VanDerWaalsContact C-N 3.29Å; K10-D12 PolarHBondContact O-N 3.14Å; K10-N13 WeakPolarHBondContact O-CB 3.49Å; K10-N13 PolarHBondContact O-N 2.83Å; K10-N13 VanDerWaalsContact O-N 3.08Å; K10-Y14 VanDerWaalsContact O-CD2 3.32Å; K10-Y14 WeakPolarHBondContact O-CD2 3.27Å; K10-Y14 PolarHBondContact O-N 2.72Å; K10-E415 IonicContact NZ-OE2 2.65Å; K10-E415 PolarHBondContact NZ-OE2 2.94Å; K10-F417 HydrophobicContact CB-CE2 4.31Å; K10-F417 HydrophobicContact CB-CZ 3.7Å; K10-F417 HydrophobicContact CD-CE2 4.22Å; K10-F417 HydrophobicContact CD-CZ 3.78Å; K10-F417 HydrophobicContact CG-CZ 4.43Å
11L91.2Very high81.7Confident2 Ų272.2 Ų72.21%0.0136%0.363CS..Hα-helixtrans-61.3-39175.9-70.5174.9000111.6S7 G8 N13 Y14 A15 L57 A60 Y61 N64 L412 F417S7-L11 WeakPolarHBondContact O-CG 3.45Å; S7-L11 PolarHBondContact O-N 3.2Å; G8-L11 PolarHBondContact O-N 3.47Å; L11-N13 VanDerWaalsContact C-N 3.28Å; L11-N13 PolarHBondContact O-N 3.18Å; L11-Y14 PolarHBondContact O-N 3.31Å; L11-Y14 VanDerWaalsContact O-N 3.14Å; L11-A15 PolarHBondContact O-N 2.86Å; L11-L57 HydrophobicContact CD2-CD1 4.01Å; L11-A60 HydrophobicContact CD2-CB 3.88Å; L11-Y61 HydrophobicContact CB-CD1 4.37Å; L11-Y61 HydrophobicContact CB-CE1 3.78Å; L11-Y61 HydrophobicContact CB-CE2 4.25Å; L11-Y61 HydrophobicContact CD1-CD1 4.14Å; L11-Y61 HydrophobicContact CD1-CE1 4.33Å; L11-Y61 PolarHBondContact O-OH 3.07Å; L11-N64 HydrophobicContact CD1-CB 4.02Å; L11-L412 HydrophobicContact CD2-CD2 4.2Å; L11-F417 HydrophobicContact CD1-CD1 4.36Å; L11-F417 HydrophobicContact CD1-CE1 4.45Å; L11-F417 HydrophobicContact CD2-CD1 3.79Å; L11-F417 HydrophobicContact CD2-CE1 4.09Å; L11-F417 HydrophobicContact CD2-CG 4.04Å; L11-F417 HydrophobicContact CG-CD1 4.05Å; L11-F417 HydrophobicContact CG-CE1 3.95Å
12D90.9Very high84.4Confident38 Ų3860.2 Ų60.220%0.20330%0.304CS..Hα-helixtrans-62.4-33.9173.7-75-15.8000112.7R4 G8 V9 K10 A15 R16 Y61 K73R4-D12 IonicContact CZ-OD2 3.45Å; R4-D12 IonicContact NE-OD2 3.6Å; R4-D12 IonicContact NH1-OD2 2.77Å; R4-D12 PolarHBondContact NH1-OD2 2.61Å; R4-D12 IonicContact NH2-OD1 2.69Å; R4-D12 IonicContact NH2-OD2 3.3Å; G8-D12 WeakPolarHBondContact O-CB 3.15Å; G8-D12 VanDerWaalsContact O-CG 3.26Å; G8-D12 PolarHBondContact O-N 3Å; V9-D12 PolarHBondContact O-N 3.26Å; K10-D12 VanDerWaalsContact C-N 3.29Å; K10-D12 PolarHBondContact O-N 3.14Å; D12-A15 PolarHBondContact O-N 3.13Å; D12-R16 WeakPolarHBondContact O-CB 3.31Å; D12-R16 PolarHBondContact O-N 2.88Å; D12-Y61 WeakPolarHBondContact CA-OH 3.4Å; D12-Y61 PolarHBondContact N-OH 2.68Å; D12-Y61 PolarHBondContact OD1-OH 3.35Å; D12-K73 IonicContact OD1-NZ 3.78Å; D12-K73 PolarHBondContact OD1-NZ 2.61Å; D12-K73 IonicContact OD2-NZ 2.9Å
13N92.4Very high86.8Confident79 Ų7949.9 Ų49.942%0.42227%0.266SS..Hα-helixtrans-67.7-41.8172.4-172.839.1000111.6V9 K10 L11 R16 V17V9-N13 PolarHBondContact O-N 2.85Å; V9-N13 VanDerWaalsContact O-N 3.17Å; K10-N13 WeakPolarHBondContact O-CB 3.49Å; K10-N13 PolarHBondContact O-N 2.83Å; K10-N13 VanDerWaalsContact O-N 3.08Å; L11-N13 VanDerWaalsContact C-N 3.28Å; L11-N13 PolarHBondContact O-N 3.18Å; N13-R16 WeakPolarHBondContact O-CB 3.49Å; N13-R16 PolarHBondContact O-N 3.02Å; N13-R16 PolarHBondContact OD1-NE 3.11Å; N13-R16 PolarHBondContact OD1-NH2 3.28Å; N13-V17 WeakPolarHBondContact O-CG2 3.31Å; N13-V17 PolarHBondContact O-N 2.91Å
14Y94.9Very high88.5Confident29 Ų2949.7 Ų49.711%0.11425%0.252CS..Hα-helixtrans-62.7-41.7173.2-76.8-64.6000112.1K10 L11 R16 V17 V18 I408 K411 L412 E415 F417K10-Y14 VanDerWaalsContact O-CD2 3.32Å; K10-Y14 WeakPolarHBondContact O-CD2 3.27Å; K10-Y14 PolarHBondContact O-N 2.72Å; L11-Y14 PolarHBondContact O-N 3.31Å; L11-Y14 VanDerWaalsContact O-N 3.14Å; Y14-R16 VanDerWaalsContact C-N 3.31Å; Y14-R16 PolarHBondContact O-N 3.08Å; Y14-V17 PolarHBondContact O-N 3.19Å; Y14-V18 WeakPolarHBondContact O-CB 3.43Å; Y14-V18 WeakPolarHBondContact O-CG2 3.47Å; Y14-V18 PolarHBondContact O-N 2.59Å; Y14-I408 HydrophobicContact CD1-CG2 4.1Å; Y14-K411 HydrophobicContact CE1-CB 4.07Å; Y14-K411 WeakPolarHBondContact OH-CB 3.38Å; Y14-L412 HydrophobicContact CD1-CD2 4.45Å; Y14-L412 HydrophobicContact CD2-CD2 3.74Å; Y14-L412 HydrophobicContact CE2-CD2 4.08Å; Y14-L412 HydrophobicContact CG-CD2 3.97Å; Y14-E415 PolarHBondContact OH-OE1 2.96Å; Y14-F417 HydrophobicContact CE2-CE2 4.21Å
15A94.6Very high90.1Very high22 Ų2249.7 Ų49.718%0.18225%0.254CS..Hα-helixtrans-59.6-41.8173.800000111.9L11 D12 V18 Q19 L57 Y61L11-A15 PolarHBondContact O-N 2.86Å; D12-A15 PolarHBondContact O-N 3.13Å; A15-V18 PolarHBondContact O-N 3.28Å; A15-Q19 VanDerWaalsContact O-CB 3.23Å; A15-Q19 WeakPolarHBondContact O-CB 3.45Å; A15-Q19 PolarHBondContact O-N 3.38Å; A15-L57 HydrophobicContact CB-CD2 3.99Å; A15-Y61 HydrophobicContact CB-CE2 4.13Å; A15-Y61 WeakPolarHBondContact CB-OH 3.15Å
16R94.6Very high91.4Very high91 Ų9149.3 Ų49.334%0.34325%0.249SC..Hα-helixtrans-61-46.4173.8-175.8-172.667.393-5.4111.7D12 N13 Y14 Q19 Q20D12-R16 WeakPolarHBondContact O-CB 3.31Å; D12-R16 PolarHBondContact O-N 2.88Å; N13-R16 WeakPolarHBondContact O-CB 3.49Å; N13-R16 PolarHBondContact O-N 3.02Å; N13-R16 PolarHBondContact OD1-NE 3.11Å; N13-R16 PolarHBondContact OD1-NH2 3.28Å; Y14-R16 VanDerWaalsContact C-N 3.31Å; Y14-R16 PolarHBondContact O-N 3.08Å; R16-Q19 PolarHBondContact O-N 2.78Å; R16-Q20 VanDerWaalsContact CG-OE1 3.28Å; R16-Q20 WeakPolarHBondContact O-CG 3.45Å; R16-Q20 PolarHBondContact O-N 3.46Å
17V94.8Very high92.3Very high19 Ų1943.5 Ų43.512%0.11522%0.218CC..Hα-helixtrans-62-48.4178.21730000110.9N13 Y14 Q19 Q20 T21 I366 I408N13-V17 WeakPolarHBondContact O-CG2 3.31Å; N13-V17 PolarHBondContact O-N 2.91Å; Y14-V17 PolarHBondContact O-N 3.19Å; V17-Q19 VanDerWaalsContact C-N 3.32Å; V17-Q19 PolarHBondContact O-N 3.2Å; V17-Q20 PolarHBondContact O-N 3.21Å; V17-T21 HydrophobicContact CG1-CG2 4.34Å; V17-T21 WeakPolarHBondContact O-CB 3.41Å; V17-T21 WeakPolarHBondContact O-CG2 3.47Å; V17-T21 PolarHBondContact O-N 2.9Å; V17-T21 PolarHBondContact O-OG1 2.97Å; V17-I366 HydrophobicContact CG1-CG2 4.21Å; V17-I366 HydrophobicContact CG2-CG2 4.4Å; V17-I408 HydrophobicContact CG1-CD1 3.9Å; V17-I408 HydrophobicContact CG1-CG1 4.41Å
18V96.3Very high93Very high0 Ų046.5 Ų46.50%024%0.236CC..Hα-helixtrans-60.7-41.9177.5166.70000111.2Y14 A15 I22 L23 V54 L57 I408Y14-V18 WeakPolarHBondContact O-CB 3.43Å; Y14-V18 WeakPolarHBondContact O-CG2 3.47Å; Y14-V18 PolarHBondContact O-N 2.59Å; A15-V18 PolarHBondContact O-N 3.28Å; V18-I22 WeakPolarHBondContact O-CA 3.23Å; V18-I22 WeakPolarHBondContact O-CB 3.39Å; V18-I22 PolarHBondContact O-N 3.07Å; V18-L23 HydrophobicContact CG1-CD1 3.89Å; V18-L23 HydrophobicContact CG1-CG 4Å; V18-L23 PolarHBondContact O-N 3.01Å; V18-V54 HydrophobicContact CG1-CG2 3.69Å; V18-L57 HydrophobicContact CB-CD2 4.26Å; V18-L57 HydrophobicContact CG2-CD2 4.03Å; V18-I408 HydrophobicContact CG2-CD1 3.95Å; V18-I408 HydrophobicContact CG2-CG2 4.22Å
19Q95.6Very high93.6Very high95 Ų9551.8 Ų51.844%0.44427%0.268SS..Hα-helixtrans-61.5-49.3177.5-174.562.227.300111.7A15 R16 V17 Q24A15-Q19 VanDerWaalsContact O-CB 3.23Å; A15-Q19 WeakPolarHBondContact O-CB 3.45Å; A15-Q19 PolarHBondContact O-N 3.38Å; R16-Q19 PolarHBondContact O-N 2.78Å; V17-Q19 VanDerWaalsContact C-N 3.32Å; V17-Q19 PolarHBondContact O-N 3.2Å; Q19-Q24 VanDerWaalsContact O-CB 3.26Å; Q19-Q24 WeakPolarHBondContact O-CB 3.18Å; Q19-Q24 WeakPolarHBondContact O-CG 3.31Å; Q19-Q24 PolarHBondContact O-N 3.49Å
20Q93.6Very high94.1Very high62 Ų6248.6 Ų48.629%0.2925%0.248SC..Hα-helixtrans-76-25-176.2-67.2-176-89.400113.5R16 V17 Q24 D364 I366R16-Q20 VanDerWaalsContact CG-OE1 3.28Å; R16-Q20 WeakPolarHBondContact O-CG 3.45Å; R16-Q20 PolarHBondContact O-N 3.46Å; V17-Q20 PolarHBondContact O-N 3.21Å; Q20-Q24 PolarHBondContact O-NE2 3.31Å; Q20-Q24 PolarHBondContact O-OE1 3.24Å; Q20-D364 PolarHBondContact NE2-OD2 3.41Å; Q20-I366 HydrophobicContact CB-CD1 3.72Å; Q20-I366 HydrophobicContact CG-CD1 4.12Å
21T93.8Very high94.5Very high4 Ų443.6 Ų43.63%0.02523%0.226CC..Hα-helixtrans-99.9-31.8-176.958.60000113.4V17 H25 I366 L368 P399V17-T21 HydrophobicContact CG1-CG2 4.34Å; V17-T21 WeakPolarHBondContact O-CB 3.41Å; V17-T21 WeakPolarHBondContact O-CG2 3.47Å; V17-T21 PolarHBondContact O-N 2.9Å; V17-T21 PolarHBondContact O-OG1 2.97Å; T21-H25 PolarHBondContact O-CE1 2.97Å; T21-H25 PolarHBondContact O-ND1 3.16Å; T21-I366 HydrophobicContact CG2-CG2 4.03Å; T21-L368 HydrophobicContact CG2-CD2 3.76Å; T21-P399 HydrophobicContact CG2-CG 4.45Å
22I95.3Very high94.8Very high0 Ų043.6 Ų43.60%023%0.227CC..THydrogen-bonded Turntrans-120.8-67.2-171.6-60.7167.8000110.9V18 Q24 H25 L33 S53 V54V18-I22 WeakPolarHBondContact O-CA 3.23Å; V18-I22 WeakPolarHBondContact O-CB 3.39Å; V18-I22 PolarHBondContact O-N 3.07Å; I22-Q24 VanDerWaalsContact C-N 3.35Å; I22-Q24 PolarHBondContact O-N 3.44Å; I22-H25 PolarHBondContact O-N 3.27Å; I22-H25 VanDerWaalsContact O-N 3.08Å; I22-L33 HydrophobicContact CG2-CD1 3.9Å; I22-L33 HydrophobicContact CG2-CD2 4.37Å; I22-L33 WeakPolarHBondContact O-CD2 3.25Å; I22-S53 WeakPolarHBondContact CD1-OG 3.39Å; I22-V54 HydrophobicContact CG2-CG2 4.27Å
23L96.3Very high95.1Very high16 Ų1641.9 Ų41.98%0.08422%0.217CC..G310 helixtrans-67.9-27.9-166.4-66.1174.3000114.2V18 H25 Q26 V54 L77V18-L23 HydrophobicContact CG1-CD1 3.89Å; V18-L23 HydrophobicContact CG1-CG 4Å; V18-L23 PolarHBondContact O-N 3.01Å; L23-H25 PolarHBondContact O-N 3.06Å; L23-H25 VanDerWaalsContact O-N 3.11Å; L23-Q26 VanDerWaalsContact O-CB 3.31Å; L23-Q26 WeakPolarHBondContact O-CB 3.48Å; L23-Q26 PolarHBondContact O-N 3.18Å; L23-V54 HydrophobicContact CD1-CG1 4.29Å; L23-V54 HydrophobicContact CD2-CG1 4.13Å; L23-V54 HydrophobicContact CD2-CG2 3.91Å; L23-V54 HydrophobicContact CG-CG2 4.17Å; L23-L77 HydrophobicContact CD1-CD2 3.8Å
24Q94.3Very high95.1Very high113 Ų11339.3 Ų39.353%0.52821%0.205SC..G310 helixtrans-60.9-20.9174.870.5172.919.300113.5Q19 Q20 I22Q19-Q24 VanDerWaalsContact O-CB 3.26Å; Q19-Q24 WeakPolarHBondContact O-CB 3.18Å; Q19-Q24 WeakPolarHBondContact O-CG 3.31Å; Q19-Q24 PolarHBondContact O-N 3.49Å; Q20-Q24 PolarHBondContact O-NE2 3.31Å; Q20-Q24 PolarHBondContact O-OE1 3.24Å; I22-Q24 VanDerWaalsContact C-N 3.35Å; I22-Q24 PolarHBondContact O-N 3.44Å
25H94.2Very high94.6Very high61 Ų6138.3 Ų38.328%0.28220%0.203SC..G310 helixtrans-96.9-3.9178.9-51.3106.6000112.6T21 I22 L23 L33 P34T21-H25 PolarHBondContact O-CE1 2.97Å; T21-H25 PolarHBondContact O-ND1 3.16Å; I22-H25 PolarHBondContact O-N 3.27Å; I22-H25 VanDerWaalsContact O-N 3.08Å; L23-H25 PolarHBondContact O-N 3.06Å; L23-H25 VanDerWaalsContact O-N 3.11Å; H25-L33 HydrophobicContact CB-CD2 4.22Å; H25-P34 WeakPolarHBondContact O-CD 3.49Å
26Q96.3Very high94.2Very high29 Ų2938.4 Ų38.414%0.13620%0.203CC..SBendtrans-72.1128.8-178.2-166.2179.821.300110.1L23 G31 L33 S80L23-Q26 VanDerWaalsContact O-CB 3.31Å; L23-Q26 WeakPolarHBondContact O-CB 3.48Å; L23-Q26 PolarHBondContact O-N 3.18Å; Q26-G31 WeakPolarHBondContact CG-O 3.11Å; Q26-G31 PolarHBondContact NE2-O 3.14Å; Q26-L33 HydrophobicContact CB-CD2 3.87Å; Q26-L33 HydrophobicContact CG-CD2 4.35Å; Q26-S80 PolarHBondContact NE2-O 3.43Å
27D96.2Very high93.4Very high22 Ų2240 Ų4012%0.11822%0.222CC..  trans-65129.3177.2-177.6-88.1000110.8V29 T30 G31 L32 T118D27-V29 PolarHBondContact O-N 2.9Å; D27-V29 WeakPolarHBondContact OD1-CA 3.48Å; D27-V29 WeakPolarHBondContact OD1-CB 3.46Å; D27-V29 PolarHBondContact OD1-N 2.9Å; D27-T30 WeakPolarHBondContact CB-OG1 3.46Å; D27-T30 PolarHBondContact OD1-N 3.1Å; D27-T30 PolarHBondContact OD1-OG1 3.08Å; D27-G31 VanDerWaalsContact O-CA 3.23Å; D27-G31 WeakPolarHBondContact O-CA 3.44Å; D27-G31 PolarHBondContact O-N 3.41Å; D27-L32 PolarHBondContact N-O 3.39Å; D27-T118 HydrophobicContact CB-CG2 3.93Å
28P93.8Very high92.6Very high101 Ų10145.9 Ų45.966%0.65625%0.253SS*.THydrogen-bonded Turntrans-74-4.7-174.130.6-37.3000113.6K83P28-K83 VanDerWaalsContact O-CE 3.31Å; P28-K83 WeakPolarHBondContact O-CE 3.25Å; P28-K83 PolarHBondContact O-NZ 3.25Å
29V93.9Very high91.9Very high115 Ų11549.7 Ų49.770%0.69727%0.271SS*.THydrogen-bonded Turntrans-108.4-59.2177.1-179.40000109.9D27 K83D27-V29 PolarHBondContact O-N 2.9Å; D27-V29 WeakPolarHBondContact OD1-CA 3.48Å; D27-V29 WeakPolarHBondContact OD1-CB 3.46Å; D27-V29 PolarHBondContact OD1-N 2.9Å; V29-K83 WeakPolarHBondContact O-CE 3.26Å
30T95.7Very high91.6Very high17 Ų1749.1 Ų49.110%0.10428%0.276CS..THydrogen-bonded Turntrans-81.7-22.8-174.666.90000112.8D27 L32 G87 T118 K119D27-T30 WeakPolarHBondContact CB-OG1 3.46Å; D27-T30 PolarHBondContact OD1-N 3.1Å; D27-T30 PolarHBondContact OD1-OG1 3.08Å; T30-L32 PolarHBondContact O-N 3.31Å; T30-L32 WeakPolarHBondContact OG1-CB 3.31Å; T30-L32 PolarHBondContact OG1-N 3.43Å; T30-L32 VanDerWaalsContact OG1-N 3.14Å; T30-G87 VanDerWaalsContact O-CA 3.28Å; T30-G87 WeakPolarHBondContact O-CA 3.37Å; T30-T118 WeakPolarHBondContact CB-O 3.4Å; T30-T118 VanDerWaalsContact CG2-O 3.31Å; T30-T118 WeakPolarHBondContact CG2-O 3.45Å; T30-T118 PolarHBondContact OG1-O 3.07Å; T30-K119 VanDerWaalsContact CG2-O 3.28Å; T30-K119 WeakPolarHBondContact CG2-O 3.47Å
31G96.3Very high91.6Very high0 Ų047.7 Ų47.70%027%0.27CS..  trans75.61.3-171.400000114.4Q26 D27 L84Q26-G31 WeakPolarHBondContact CG-O 3.11Å; Q26-G31 PolarHBondContact NE2-O 3.14Å; D27-G31 VanDerWaalsContact O-CA 3.23Å; D27-G31 WeakPolarHBondContact O-CA 3.44Å; D27-G31 PolarHBondContact O-N 3.41Å; G31-L84 WeakPolarHBondContact O-CA 3.42Å; G31-L84 WeakPolarHBondContact O-CB 3.27Å; G31-L84 WeakPolarHBondContact O-CD1 3.4Å; G31-L84 WeakPolarHBondContact O-CG 3.4Å
32L97.4Very high91.7Very high3 Ų347.6 Ų47.62%0.01627%0.27CS..  trans-75.7151.9-179-64.9174.9000111.6D27 T30 A42 N47 V88 T118D27-L32 PolarHBondContact N-O 3.39Å; T30-L32 PolarHBondContact O-N 3.31Å; T30-L32 WeakPolarHBondContact OG1-CB 3.31Å; T30-L32 PolarHBondContact OG1-N 3.43Å; T30-L32 VanDerWaalsContact OG1-N 3.14Å; L32-A42 HydrophobicContact CB-CB 3.97Å; L32-A42 HydrophobicContact CD1-CB 4.15Å; L32-A42 HydrophobicContact CG-CB 4.44Å; L32-N47 WeakPolarHBondContact CA-OD1 3.2Å; L32-V88 HydrophobicContact CD2-CG2 3.92Å; L32-T118 HydrophobicContact CB-CG2 3.86Å; L32-T118 WeakPolarHBondContact O-CG2 3.38Å
33L96.1Very high91.7Very high2 Ų248.5 Ų48.51%0.0127%0.273CS..  trans-106.4130.2175.1-69.5165.9000109.7I22 H25 Q26 A42 N47 L84I22-L33 HydrophobicContact CG2-CD1 3.9Å; I22-L33 HydrophobicContact CG2-CD2 4.37Å; I22-L33 WeakPolarHBondContact O-CD2 3.25Å; H25-L33 HydrophobicContact CB-CD2 4.22Å; Q26-L33 HydrophobicContact CB-CD2 3.87Å; Q26-L33 HydrophobicContact CG-CD2 4.35Å; L33-A42 WeakPolarHBondContact O-CA 3.28Å; L33-A42 WeakPolarHBondContact O-CB 3.22Å; L33-N47 PolarHBondContact N-OD1 3.46Å; L33-N47 PolarHBondContact O-ND2 2.73Å; L33-L84 HydrophobicContact CD1-CD1 3.59Å; L33-L84 HydrophobicContact CG-CD1 3.81Å
34P93.8Very high91.8Very high24 Ų2448.2 Ų48.216%0.15627%0.272CS..  trans-72.6154.4171.531.6-33.8000110.5H25 D41 K401H25-P34 WeakPolarHBondContact O-CD 3.49Å; P34-D41 CarbonylContact C-O 3.39Å; P34-D41 WeakPolarHBondContact CA-O 3.44Å; P34-K401 PolarHBondContact O-NZ 3.15Å
35G84.3Confident91.8Very high8 Ų843.6 Ų43.68%0.08225%0.25CC..SBendtrans-58.6-51.1176.100000112.3Q39 D41 K401G35-Q39 PolarHBondContact N-O 3.04Å; G35-Q39 VanDerWaalsContact N-O 3.17Å; G35-D41 PolarHBondContact N-O 3.03Å; G35-K401 PolarHBondContact O-NZ 2.87Å
36S84.9Confident91.9Very high24 Ų2441.7 Ų41.717%0.16824%0.242CC..  trans-152.9-176.917469.10000110.6D38 Q39S36-D38 PolarHBondContact O-N 3.46Å; S36-D38 PolarHBondContact OG-N 2.91Å; S36-Q39 PolarHBondContact N-O 2.67Å; S36-Q39 VanDerWaalsContact N-O 3.07Å; S36-Q39 CarbonylContact O-C 3.6Å; S36-Q39 PolarHBondContact O-N 3.4Å; S36-Q39 WeakPolarHBondContact OG-CB 3.34Å; S36-Q39 PolarHBondContact OG-N 2.94Å
37T78.1Confident91.9Very high124 Ų12440.5 Ų40.576%0.76124%0.236SC*.SBendtrans-62.2-34.117043.40000112.2
38D78.9Confident92Very high143 Ų14339.4 Ų39.477%0.76523%0.23SC*.SBendtrans-89.8-18.2-178.4-48.9-43.7000112.4S36 P40S36-D38 PolarHBondContact O-N 3.46Å; S36-D38 PolarHBondContact OG-N 2.91Å; D38-P40 WeakPolarHBondContact O-CD 3.34Å
39Q82.1Confident92.2Very high81 Ų8135 Ų3538%0.37920%0.2SC..  trans-116.788.6176.6-66.3-178.6-12.100109.3G35 S36 D41 W43 K397G35-Q39 PolarHBondContact N-O 3.04Å; G35-Q39 VanDerWaalsContact N-O 3.17Å; S36-Q39 PolarHBondContact N-O 2.67Å; S36-Q39 VanDerWaalsContact N-O 3.07Å; S36-Q39 CarbonylContact O-C 3.6Å; S36-Q39 PolarHBondContact O-N 3.4Å; S36-Q39 WeakPolarHBondContact OG-CB 3.34Å; S36-Q39 PolarHBondContact OG-N 2.94Å; Q39-D41 PolarHBondContact O-N 3.35Å; Q39-W43 HydrophobicContact CB-CZ3 4.3Å; Q39-K397 VanDerWaalsContact OE1-CE 3.31Å
40P89.4Confident92.3Very high82 Ų8229.6 Ų29.653%0.53217%0.168SC..  trans-74.2-6.4-17231.3-36.7000113.6D38 T118D38-P40 WeakPolarHBondContact O-CD 3.34Å; P40-T118 WeakPolarHBondContact O-CB 3.47Å; P40-T118 PolarHBondContact O-OG1 2.93Å
41D93.8Very high92.4Very high32 Ų3228.8 Ų28.817%0.17116%0.163CC..EExtended strand (participates in β ladder)trans-80.7150.7-177.8-57.4-30.6000111.8P34 G35 Q39 W43 Y116 V124P34-D41 CarbonylContact C-O 3.39Å; P34-D41 WeakPolarHBondContact CA-O 3.44Å; G35-D41 PolarHBondContact N-O 3.03Å; Q39-D41 PolarHBondContact O-N 3.35Å; D41-W43 HydrophobicContact CB-CE3 4.33Å; D41-W43 HydrophobicContact CB-CH2 4.23Å; D41-W43 HydrophobicContact CB-CZ3 3.77Å; D41-W43 WeakPolarHBondContact O-CZ3 3.43Å; D41-Y116 CarbonylContact C-O 3.58Å; D41-Y116 WeakPolarHBondContact CA-O 3.12Å; D41-V124 HydrophobicContact CB-CG2 4.5Å; D41-V124 WeakPolarHBondContact OD1-CG1 3.45Å
42A95.1Very high92.5Very high2 Ų228.8 Ų28.82%0.01716%0.163CC..EExtended strand (participates in β ladder)trans-101.7112.9179.700000110.5L32 L33 K115 Y116 T118L32-A42 HydrophobicContact CB-CB 3.97Å; L32-A42 HydrophobicContact CD1-CB 4.15Å; L32-A42 HydrophobicContact CG-CB 4.44Å; L33-A42 WeakPolarHBondContact O-CA 3.28Å; L33-A42 WeakPolarHBondContact O-CB 3.22Å; A42-K115 CarbonylContact O-C 3.55Å; A42-K115 VanDerWaalsContact O-CA 3.31Å; A42-K115 WeakPolarHBondContact O-CA 3.13Å; A42-Y116 PolarHBondContact N-O 2.99Å; A42-Y116 PolarHBondContact O-N 3.33Å; A42-T118 PolarHBondContact N-OG1 3.11Å
43W95.9Very high92.5Very high20 Ų2028.6 Ų28.68%0.07616%0.162CC..EExtended strand (participates in β ladder)trans-83.9134.4170-81.8-105.6000110.2Q39 D41 R45 D46 N47 K115 W130 E185Q39-W43 HydrophobicContact CB-CZ3 4.3Å; D41-W43 HydrophobicContact CB-CE3 4.33Å; D41-W43 HydrophobicContact CB-CH2 4.23Å; D41-W43 HydrophobicContact CB-CZ3 3.77Å; D41-W43 WeakPolarHBondContact O-CZ3 3.43Å; W43-R45 PolarHBondContact O-N 3.05Å; W43-D46 HydrophobicContact CB-CB 4.08Å; W43-D46 PolarHBondContact O-N 3.08Å; W43-N47 WeakPolarHBondContact O-CB 3.43Å; W43-N47 PolarHBondContact O-N 2.71Å; W43-N47 PolarHBondContact O-ND2 3.36Å; W43-K115 HydrophobicContact CD2-CB 3.93Å; W43-K115 HydrophobicContact CE3-CB 4.5Å; W43-K115 HydrophobicContact CG-CB 4.07Å; W43-K115 HydrophobicContact CH2-CD 4.15Å; W43-K115 HydrophobicContact CZ2-CB 4.43Å; W43-K115 HydrophobicContact CZ2-CD 3.57Å; W43-W130 HydrophobicContact CZ2-CH2 4.5Å; W43-W130 AromaticContact CZ2-CZ2 3.97Å; W43-W130 HydrophobicContact CZ2-CZ2 3.97Å; W43-E185 PolarHBondContact NE1-OE1 3.29Å; W43-E185 VanDerWaalsContact NE1-OE1 3.07Å; W43-E185 PolarHBondContact NE1-OE2 2.8Å
44V96.4Very high92.6Very high10 Ų1028.5 Ų28.56%0.06116%0.162CC..Hα-helixtrans-54.7-51.6-178.4173.10000111N47 V48 V88 A114 Y116 A137 F141V44-N47 WeakPolarHBondContact O-CB 3.38Å; V44-N47 PolarHBondContact O-N 2.74Å; V44-V48 HydrophobicContact CG1-CG2 4.45Å; V44-V48 VanDerWaalsContact O-CG2 3.3Å; V44-V48 WeakPolarHBondContact O-CG2 3.32Å; V44-V48 PolarHBondContact O-N 3.33Å; V44-V88 HydrophobicContact CG1-CG1 3.96Å; V44-V88 HydrophobicContact CG2-CG1 4.35Å; V44-A114 PolarHBondContact N-O 3.38Å; V44-A114 VanDerWaalsContact N-O 3.09Å; V44-Y116 HydrophobicContact CG2-CD2 4.05Å; V44-Y116 HydrophobicContact CG2-CE2 3.57Å; V44-A137 HydrophobicContact CB-CB 4.34Å; V44-A137 HydrophobicContact CG1-CB 4.37Å; V44-F141 HydrophobicContact CG1-CB 4.25Å
45R96.1Very high92.8Very high16 Ų1627.4 Ų27.46%0.0615%0.154CC..Hα-helixtrans-62.9-49.4-177.7174.2-178.356.8177.2-17.2112.9W43 N47 V48 Y49 A137 L140 M183 E185 W402W43-R45 PolarHBondContact O-N 3.05Å; R45-N47 PolarHBondContact O-N 2.95Å; R45-V48 PolarHBondContact O-N 3.19Å; R45-Y49 HydrophobicContact CG-CD2 3.59Å; R45-Y49 HydrophobicContact CG-CE2 3.67Å; R45-Y49 WeakPolarHBondContact O-CD2 3.5Å; R45-Y49 PolarHBondContact O-N 3.45Å; R45-A137 HydrophobicContact CB-CB 4.29Å; R45-L140 HydrophobicContact CB-CD2 4.31Å; R45-L140 HydrophobicContact CG-CD2 3.81Å; R45-M183 PolarHBondContact NH1-O 2.85Å; R45-M183 PolarHBondContact NH2-O 3.44Å; R45-E185 IonicContact NH2-OE1 3.71Å; R45-W402 HydrophobicContact CG-CH2 4.4Å; R45-W402 HydrophobicContact CG-CZ3 4.36Å
46D94.6Very high93.5Very high21 Ų2127 Ų2711%0.11215%0.15CC..Hα-helixtrans-59.6-39.6179.1-70.634.8000110.5W43 S50 K397W43-D46 HydrophobicContact CB-CB 4.08Å; W43-D46 PolarHBondContact O-N 3.08Å; D46-S50 WeakPolarHBondContact O-CB 3.37Å; D46-S50 PolarHBondContact O-N 3.36Å; D46-S50 PolarHBondContact O-OG 3.48Å; D46-K397 IonicContact OD2-NZ 2.73Å
47N97.6Very high94.1Very high3 Ų325.9 Ų25.92%0.01614%0.142CC..Hα-helixtrans-61.9-52.1176-89.7-99.4000111.7L32 L33 W43 V44 R45 S50 I51 L84 V88L32-N47 WeakPolarHBondContact CA-OD1 3.2Å; L33-N47 PolarHBondContact N-OD1 3.46Å; L33-N47 PolarHBondContact O-ND2 2.73Å; W43-N47 WeakPolarHBondContact O-CB 3.43Å; W43-N47 PolarHBondContact O-N 2.71Å; W43-N47 PolarHBondContact O-ND2 3.36Å; V44-N47 WeakPolarHBondContact O-CB 3.38Å; V44-N47 PolarHBondContact O-N 2.74Å; R45-N47 PolarHBondContact O-N 2.95Å; N47-S50 PolarHBondContact O-N 3.26Å; N47-I51 PolarHBondContact O-N 3.42Å; N47-I51 VanDerWaalsContact O-N 3.15Å; N47-L84 HydrophobicContact CB-CD1 4.28Å; N47-L84 HydrophobicContact CB-CD2 4.06Å; N47-L84 HydrophobicContact CB-CG 4.44Å; N47-V88 HydrophobicContact CB-CG2 4.41Å
48V97.8Very high94.9Very high0 Ų020 Ų200%011%0.106CC..Hα-helixtrans-62.8-46.3-178.51760000111V44 R45 I51 V52 M85 L140 F141 F144V44-V48 HydrophobicContact CG1-CG2 4.45Å; V44-V48 VanDerWaalsContact O-CG2 3.3Å; V44-V48 WeakPolarHBondContact O-CG2 3.32Å; V44-V48 PolarHBondContact O-N 3.33Å; R45-V48 PolarHBondContact O-N 3.19Å; V48-I51 WeakPolarHBondContact O-CG2 3.36Å; V48-I51 PolarHBondContact O-N 2.9Å; V48-V52 WeakPolarHBondContact O-CG2 3.43Å; V48-M85 HydrophobicContact CG2-SD 4.23Å; V48-L140 HydrophobicContact CB-CD2 4.16Å; V48-L140 HydrophobicContact CB-CG 4.46Å; V48-L140 HydrophobicContact CG1-CD2 4.09Å; V48-L140 HydrophobicContact CG1-CG 3.93Å; V48-F141 HydrophobicContact CG2-CB 4.11Å; V48-F141 HydrophobicContact CG2-CD2 4.27Å; V48-F144 HydrophobicContact CG1-CB 3.81Å; V48-F144 HydrophobicContact CG1-CD2 3.42Å; V48-F144 VanDerWaalsContact CG1-CD2 3.42Å; V48-F144 HydrophobicContact CG1-CE2 4.25Å; V48-F144 HydrophobicContact CG1-CG 3.86Å
49Y97.5Very high95.8Very high7 Ų713.7 Ų13.73%0.0277%0.073CC..Hα-helixtrans-67.1-37.8177-81.8-63000113.3R45 I51 V52 L140 F144 P266 Y334 W402 S405 L406R45-Y49 HydrophobicContact CG-CD2 3.59Å; R45-Y49 HydrophobicContact CG-CE2 3.67Å; R45-Y49 WeakPolarHBondContact O-CD2 3.5Å; R45-Y49 PolarHBondContact O-N 3.45Å; Y49-I51 VanDerWaalsContact C-N 3.29Å; Y49-I51 PolarHBondContact O-N 2.84Å; Y49-V52 WeakPolarHBondContact O-CB 3.23Å; Y49-V52 WeakPolarHBondContact O-CG2 3.26Å; Y49-V52 PolarHBondContact O-N 2.66Å; Y49-L140 HydrophobicContact CD2-CD2 3.47Å; Y49-L140 VanDerWaalsContact CD2-CD2 3.47Å; Y49-L140 HydrophobicContact CE1-CD1 4.1Å; Y49-L140 HydrophobicContact CE1-CD2 4.34Å; Y49-L140 HydrophobicContact CE2-CD1 4.11Å; Y49-L140 HydrophobicContact CE2-CD2 3.19Å; Y49-L140 HydrophobicContact CE2-CG 4.28Å; Y49-L140 HydrophobicContact CG-CD2 4.16Å; Y49-F144 HydrophobicContact CD1-CE2 4.46Å; Y49-F144 HydrophobicContact CE1-CE2 4.33Å; Y49-P266 HydrophobicContact CE1-CG 4.25Å; Y49-Y334 PolarHBondContact OH-OH 3.42Å; Y49-W402 AromaticContact CD1-CD1 3.8Å; Y49-W402 AromaticContact CD1-NE1 3.42Å; Y49-W402 AromaticContact CD2-CD1 3.78Å; Y49-W402 AromaticContact CD2-CD2 3.71Å; Y49-W402 HydrophobicContact CD2-CD2 3.71Å; Y49-W402 AromaticContact CD2-CE2 3.26Å; Y49-W402 HydrophobicContact CD2-CE3 4.38Å; Y49-W402 HydrophobicContact CD2-CG 4.02Å; Y49-W402 HydrophobicContact CD2-CH2 4.29Å; Y49-W402 AromaticContact CD2-CZ2 3.58Å; Y49-W402 HydrophobicContact CD2-CZ2 3.58Å; Y49-W402 AromaticContact CD2-NE1 3.31Å; Y49-W402 VanDerWaalsContact CD2-NE1 3.31Å; Y49-W402 AromaticContact CE1-NE1 3.71Å; Y49-W402 HydrophobicContact CE2-CD2 4.24Å; Y49-W402 AromaticContact CE2-CE2 3.39Å; Y49-W402 AromaticContact CE2-CH2 3.94Å; Y49-W402 HydrophobicContact CE2-CH2 3.94Å; Y49-W402 AromaticContact CE2-CZ2 3.19Å; Y49-W402 HydrophobicContact CE2-CZ2 3.19Å; Y49-W402 AromaticContact CE2-NE1 3.61Å; Y49-W402 AromaticContact CG-CD1 3.38Å; Y49-W402 HydrophobicContact CG-CD2 4.13Å; Y49-W402 AromaticContact CG-CE2 3.71Å; Y49-W402 AromaticContact CG-CG 3.94Å; Y49-W402 HydrophobicContact CG-CG 3.94Å; Y49-W402 HydrophobicContact CG-CZ2 4.39Å; Y49-W402 AromaticContact CG-NE1 3.21Å; Y49-W402 AromaticContact CZ-CE2 3.94Å; Y49-W402 AromaticContact CZ-CZ2 3.74Å; Y49-W402 AromaticContact CZ-NE1 3.81Å; Y49-S405 WeakPolarHBondContact O-CB 3.41Å; Y49-S405 PolarHBondContact O-OG 2.81Å; Y49-L406 HydrophobicContact CD1-CD2 4.35Å
50S97.1Very high96.4Very high2 Ų29.9 Ų9.91%0.0146%0.055CC..Hα-helixtrans-64.5-34.7-178.9-62.40000112.2D46 N47 V52 S53 K401 S405D46-S50 WeakPolarHBondContact O-CB 3.37Å; D46-S50 PolarHBondContact O-N 3.36Å; D46-S50 PolarHBondContact O-OG 3.48Å; N47-S50 PolarHBondContact O-N 3.26Å; S50-V52 VanDerWaalsContact C-N 3.31Å; S50-V52 PolarHBondContact O-N 2.91Å; S50-S53 PolarHBondContact O-OG 2.87Å; S50-K401 WeakPolarHBondContact OG-CB 3.43Å; S50-S405 PolarHBondContact O-OG 2.85Å; S50-S405 VanDerWaalsContact O-OG 3.11Å
51I97.8Very high96.6Very high0 Ų06 Ų60%03%0.03CC..Hα-helixtrans-78.1-14.5-178-150.864.5000113.4N47 V48 Y49 S53 V54 W55 V81 L84 M85 M148N47-I51 PolarHBondContact O-N 3.42Å; N47-I51 VanDerWaalsContact O-N 3.15Å; V48-I51 WeakPolarHBondContact O-CG2 3.36Å; V48-I51 PolarHBondContact O-N 2.9Å; Y49-I51 VanDerWaalsContact C-N 3.29Å; Y49-I51 PolarHBondContact O-N 2.84Å; I51-S53 VanDerWaalsContact C-N 3.33Å; I51-S53 PolarHBondContact O-N 3.17Å; I51-V54 HydrophobicContact CD1-CB 3.94Å; I51-V54 HydrophobicContact CD1-CG1 4.3Å; I51-V54 HydrophobicContact CD1-CG2 3.79Å; I51-V54 HydrophobicContact CG1-CB 4.33Å; I51-V54 WeakPolarHBondContact O-CB 3.44Å; I51-V54 PolarHBondContact O-N 2.75Å; I51-W55 PolarHBondContact O-N 2.9Å; I51-V81 HydrophobicContact CD1-CG2 4.4Å; I51-V81 HydrophobicContact CG1-CB 4.09Å; I51-V81 HydrophobicContact CG1-CG1 4.15Å; I51-V81 HydrophobicContact CG1-CG2 3.9Å; I51-V81 HydrophobicContact CG2-CG1 4.47Å; I51-L84 HydrophobicContact CB-CD1 4.04Å; I51-L84 HydrophobicContact CB-CD2 4.09Å; I51-L84 HydrophobicContact CD1-CB 4.22Å; I51-L84 HydrophobicContact CD1-CD1 3.98Å; I51-L84 HydrophobicContact CG1-CB 4.19Å; I51-L84 HydrophobicContact CG1-CD1 4.17Å; I51-L84 HydrophobicContact CG1-CD2 4.43Å; I51-L84 HydrophobicContact CG2-CD2 3.99Å; I51-M85 HydrophobicContact CG2-SD 4.4Å; I51-M148 HydrophobicContact CG2-CE 3.92Å
52V97.9Very high96.5Very high0 Ų09.3 Ų9.30%04%0.04CC..Hα-helixtrans-57.3-43.4-178.9178.80000112V48 Y49 S50 V54 W55 A56 F144 L409V48-V52 WeakPolarHBondContact O-CG2 3.43Å; Y49-V52 WeakPolarHBondContact O-CB 3.23Å; Y49-V52 WeakPolarHBondContact O-CG2 3.26Å; Y49-V52 PolarHBondContact O-N 2.66Å; S50-V52 VanDerWaalsContact C-N 3.31Å; S50-V52 PolarHBondContact O-N 2.91Å; V52-V54 VanDerWaalsContact C-N 3.3Å; V52-V54 PolarHBondContact O-N 2.96Å; V52-W55 HydrophobicContact CG1-CE3 4.34Å; V52-W55 PolarHBondContact O-N 3.02Å; V52-A56 WeakPolarHBondContact O-CB 3.25Å; V52-A56 PolarHBondContact O-N 3.07Å; V52-F144 HydrophobicContact CG1-CE1 4.18Å; V52-F144 HydrophobicContact CG1-CZ 4.43Å; V52-F144 HydrophobicContact CG2-CD1 4.12Å; V52-F144 HydrophobicContact CG2-CE1 3.53Å; V52-F144 HydrophobicContact CG2-CE2 4.05Å; V52-F144 HydrophobicContact CG2-CZ 3.49Å; V52-F144 VanDerWaalsContact CG2-CZ 3.49Å; V52-L409 HydrophobicContact CG1-CD2 3.89Å
53S97.6Very high96.1Very high0 Ų014 Ų140%06%0.06CC..Hα-helixtrans-64.8-32.6177.358.20000113.3I22 S50 I51 L57 S405I22-S53 WeakPolarHBondContact CD1-OG 3.39Å; S50-S53 PolarHBondContact O-OG 2.87Å; I51-S53 VanDerWaalsContact C-N 3.33Å; I51-S53 PolarHBondContact O-N 3.17Å; S53-L57 WeakPolarHBondContact O-CB 3.31Å; S53-L57 PolarHBondContact O-N 2.99Å; S53-S405 WeakPolarHBondContact CB-O 3.48Å; S53-S405 VanDerWaalsContact CB-OG 3.29Å; S53-S405 WeakPolarHBondContact CB-OG 3.37Å; S53-S405 PolarHBondContact N-OG 3.35Å; S53-S405 PolarHBondContact OG-OG 3.19Å; S53-S405 VanDerWaalsContact OG-OG 3.1Å
54V98.2Very high95.6Very high0 Ų015.4 Ų15.40%07%0.069CC..Hα-helixtrans-67.7-44.9175.4-174.30000109.9V18 I22 L23 I51 V52 L57 S58 L77 V81V18-V54 HydrophobicContact CG1-CG2 3.69Å; I22-V54 HydrophobicContact CG2-CG2 4.27Å; L23-V54 HydrophobicContact CD1-CG1 4.29Å; L23-V54 HydrophobicContact CD2-CG1 4.13Å; L23-V54 HydrophobicContact CD2-CG2 3.91Å; L23-V54 HydrophobicContact CG-CG2 4.17Å; I51-V54 HydrophobicContact CD1-CB 3.94Å; I51-V54 HydrophobicContact CD1-CG1 4.3Å; I51-V54 HydrophobicContact CD1-CG2 3.79Å; I51-V54 HydrophobicContact CG1-CB 4.33Å; I51-V54 WeakPolarHBondContact O-CB 3.44Å; I51-V54 PolarHBondContact O-N 2.75Å; V52-V54 VanDerWaalsContact C-N 3.3Å; V52-V54 PolarHBondContact O-N 2.96Å; V54-L57 PolarHBondContact O-N 3Å; V54-S58 WeakPolarHBondContact O-CB 3.45Å; V54-S58 PolarHBondContact O-N 3.35Å; V54-L77 HydrophobicContact CG1-CB 4.11Å; V54-L77 HydrophobicContact CG1-CD2 3.88Å; V54-V81 HydrophobicContact CB-CG2 4.01Å; V54-V81 HydrophobicContact CG1-CG2 3.81Å
55W98.1Very high94.6Very high0 Ų016.1 Ų16.10%08%0.076CC..Hα-helixtrans-62.6-46.3174.2172.150.2000112I51 V52 L57 S58 L59 V81 F144 Q147 M148 S151 L153 I423I51-W55 PolarHBondContact O-N 2.9Å; V52-W55 HydrophobicContact CG1-CE3 4.34Å; V52-W55 PolarHBondContact O-N 3.02Å; W55-L57 VanDerWaalsContact C-N 3.35Å; W55-L57 PolarHBondContact O-N 3.18Å; W55-S58 PolarHBondContact O-N 2.9Å; W55-S58 PolarHBondContact O-OG 2.71Å; W55-L59 HydrophobicContact CD2-CD1 4.34Å; W55-L59 HydrophobicContact CZ2-CD1 3.96Å; W55-L59 WeakPolarHBondContact O-CG 3.39Å; W55-L59 PolarHBondContact O-N 3.37Å; W55-V81 HydrophobicContact CB-CG1 4.23Å; W55-V81 HydrophobicContact CB-CG2 3.86Å; W55-F144 HydrophobicContact CZ3-CD1 4.27Å; W55-F144 HydrophobicContact CZ3-CE1 4.13Å; W55-Q147 HydrophobicContact CH2-CB 4.08Å; W55-M148 HydrophobicContact CB-CE 4.22Å; W55-M148 HydrophobicContact CD2-CE 4.22Å; W55-M148 HydrophobicContact CD2-CG 3.99Å; W55-M148 HydrophobicContact CE3-CE 4.18Å; W55-M148 HydrophobicContact CE3-CG 4.41Å; W55-M148 HydrophobicContact CG-CE 4.27Å; W55-M148 HydrophobicContact CG-CG 4.29Å; W55-M148 HydrophobicContact CZ2-CG 4.36Å; W55-S151 PolarHBondContact NE1-OG 3.09Å; W55-L153 HydrophobicContact CG-CD1 4.42Å; W55-I423 HydrophobicContact CH2-CB 4.39Å; W55-I423 HydrophobicContact CZ3-CB 4.34Å
56A97.7Very high93.6Very high0 Ų020.6 Ų20.60%010%0.101CC..Hα-helixtrans-60.1-45.5176.600000111.5V52 S58 L59 A60 L409 L412 L418 I423V52-A56 WeakPolarHBondContact O-CB 3.25Å; V52-A56 PolarHBondContact O-N 3.07Å; A56-S58 VanDerWaalsContact C-N 3.32Å; A56-S58 PolarHBondContact O-N 3.28Å; A56-L59 PolarHBondContact O-N 2.85Å; A56-A60 WeakPolarHBondContact O-CB 3.43Å; A56-A60 PolarHBondContact O-N 3.47Å; A56-L409 HydrophobicContact CB-CD1 3.59Å; A56-L412 HydrophobicContact CB-CD1 4.09Å; A56-L418 HydrophobicContact CB-CD1 3.73Å; A56-L418 WeakPolarHBondContact O-CD1 3.26Å; A56-I423 HydrophobicContact CB-CG2 4.36Å
57L97.4Very high92.8Very high0 Ų024 Ų240%011%0.112CC..Hα-helixtrans-63.6-37.7177.1-17761.9000111.9L11 A15 V18 S53 V54 W55 A60 Y61 L77 L412L11-L57 HydrophobicContact CD2-CD1 4.01Å; A15-L57 HydrophobicContact CB-CD2 3.99Å; V18-L57 HydrophobicContact CB-CD2 4.26Å; V18-L57 HydrophobicContact CG2-CD2 4.03Å; S53-L57 WeakPolarHBondContact O-CB 3.31Å; S53-L57 PolarHBondContact O-N 2.99Å; V54-L57 PolarHBondContact O-N 3Å; W55-L57 VanDerWaalsContact C-N 3.35Å; W55-L57 PolarHBondContact O-N 3.18Å; L57-A60 PolarHBondContact O-N 3.04Å; L57-Y61 HydrophobicContact CD1-CD2 3.98Å; L57-Y61 HydrophobicContact CD1-CE2 3.79Å; L57-Y61 HydrophobicContact CD2-CE2 4.21Å; L57-Y61 HydrophobicContact CG-CD2 3.9Å; L57-Y61 HydrophobicContact CG-CE2 3.84Å; L57-Y61 WeakPolarHBondContact O-CD2 3.46Å; L57-Y61 PolarHBondContact O-N 2.82Å; L57-L77 HydrophobicContact CB-CD1 4.38Å; L57-L77 HydrophobicContact CD2-CD1 3.96Å; L57-L77 HydrophobicContact CG-CD1 3.87Å; L57-L412 HydrophobicContact CB-CD1 4.27Å; L57-L412 HydrophobicContact CD1-CD2 4.35Å
58S96.9Very high92Very high0 Ų029.8 Ų29.80%014%0.143CC..Hα-helixtrans-64.7-41.8176.884.40000111.8V54 W55 A56 A60 Y61 R62 E78V54-S58 WeakPolarHBondContact O-CB 3.45Å; V54-S58 PolarHBondContact O-N 3.35Å; W55-S58 PolarHBondContact O-N 2.9Å; W55-S58 PolarHBondContact O-OG 2.71Å; A56-S58 VanDerWaalsContact C-N 3.32Å; A56-S58 PolarHBondContact O-N 3.28Å; S58-A60 VanDerWaalsContact C-N 3.35Å; S58-Y61 PolarHBondContact O-N 2.82Å; S58-R62 WeakPolarHBondContact O-CB 3.43Å; S58-R62 PolarHBondContact O-N 2.99Å; S58-E78 WeakPolarHBondContact OG-CG 3.39Å
59L96.2Very high91.3Very high12 Ų1235.1 Ų35.16%0.06317%0.168CC..Hα-helixtrans-62-41.9172.3-66.4176.6000111.6W55 A56 Y61 R62 K63 L418 E422 I423W55-L59 HydrophobicContact CD2-CD1 4.34Å; W55-L59 HydrophobicContact CZ2-CD1 3.96Å; W55-L59 WeakPolarHBondContact O-CG 3.39Å; W55-L59 PolarHBondContact O-N 3.37Å; A56-L59 PolarHBondContact O-N 2.85Å; L59-Y61 PolarHBondContact O-N 2.83Å; L59-R62 WeakPolarHBondContact O-CB 3.25Å; L59-R62 PolarHBondContact O-N 3.49Å; L59-K63 WeakPolarHBondContact O-CB 3.37Å; L59-K63 PolarHBondContact O-N 2.72Å; L59-L418 HydrophobicContact CB-CD2 3.83Å; L59-E422 WeakPolarHBondContact CD1-O 3.39Å; L59-I423 HydrophobicContact CD1-CG2 4.26Å
60A95.2Very high90.8Very high0 Ų035 Ų350%017%0.168CC..Hα-helixtrans-63.3-42.1178.600000111.7L11 A56 L57 S58 N64 F417 L418L11-A60 HydrophobicContact CD2-CB 3.88Å; A56-A60 WeakPolarHBondContact O-CB 3.43Å; A56-A60 PolarHBondContact O-N 3.47Å; L57-A60 PolarHBondContact O-N 3.04Å; S58-A60 VanDerWaalsContact C-N 3.35Å; A60-N64 WeakPolarHBondContact O-CB 3.47Å; A60-N64 PolarHBondContact O-N 2.72Å; A60-N64 VanDerWaalsContact O-N 3.08Å; A60-N64 PolarHBondContact O-ND2 2.72Å; A60-F417 HydrophobicContact CB-CB 4.23Å; A60-L418 HydrophobicContact CB-CD2 4.01Å; A60-L418 HydrophobicContact CB-CG 4.07Å
61Y94.1Very high90.3Very high2 Ų240.6 Ų40.61%0.00819%0.192CC..Hα-helixtrans-64.1-44.6171.6-86.8-70.5000111.6L11 D12 A15 L57 S58 L59 K63 N64 A65 D70 K73 L77L11-Y61 HydrophobicContact CB-CD1 4.37Å; L11-Y61 HydrophobicContact CB-CE1 3.78Å; L11-Y61 HydrophobicContact CB-CE2 4.25Å; L11-Y61 HydrophobicContact CD1-CD1 4.14Å; L11-Y61 HydrophobicContact CD1-CE1 4.33Å; L11-Y61 PolarHBondContact O-OH 3.07Å; D12-Y61 WeakPolarHBondContact CA-OH 3.4Å; D12-Y61 PolarHBondContact N-OH 2.68Å; D12-Y61 PolarHBondContact OD1-OH 3.35Å; A15-Y61 HydrophobicContact CB-CE2 4.13Å; A15-Y61 WeakPolarHBondContact CB-OH 3.15Å; L57-Y61 HydrophobicContact CD1-CD2 3.98Å; L57-Y61 HydrophobicContact CD1-CE2 3.79Å; L57-Y61 HydrophobicContact CD2-CE2 4.21Å; L57-Y61 HydrophobicContact CG-CD2 3.9Å; L57-Y61 HydrophobicContact CG-CE2 3.84Å; L57-Y61 WeakPolarHBondContact O-CD2 3.46Å; L57-Y61 PolarHBondContact O-N 2.82Å; S58-Y61 PolarHBondContact O-N 2.82Å; L59-Y61 PolarHBondContact O-N 2.83Å; Y61-K63 VanDerWaalsContact C-N 3.28Å; Y61-K63 PolarHBondContact O-N 2.97Å; Y61-N64 CarbonylContact O-C 3.56Å; Y61-N64 PolarHBondContact O-N 3.38Å; Y61-A65 WeakPolarHBondContact O-CA 3.47Å; Y61-A65 WeakPolarHBondContact O-CB 3.25Å; Y61-A65 PolarHBondContact O-N 2.93Å; Y61-D70 HydrophobicContact CD1-CB 4.17Å; Y61-K73 HydrophobicContact CE1-CD 4.14Å; Y61-L77 HydrophobicContact CD2-CD1 3.76Å; Y61-L77 HydrophobicContact CE2-CD1 4.04Å
62R90.6Very high89.9Confident101 Ų10142.9 Ų42.938%0.38121%0.211SC..Hα-helixtrans-57.3-41.6179.1-166.9-168.3-67.6175.1-9.2112S58 L59 A74 E78 S151S58-R62 WeakPolarHBondContact O-CB 3.43Å; S58-R62 PolarHBondContact O-N 2.99Å; L59-R62 WeakPolarHBondContact O-CB 3.25Å; L59-R62 PolarHBondContact O-N 3.49Å; R62-A74 HydrophobicContact CB-CB 4.47Å; R62-E78 IonicContact CZ-OE1 3.48Å; R62-E78 IonicContact NE-OE1 3.48Å; R62-E78 PolarHBondContact NE-OE1 3.31Å; R62-E78 IonicContact NH2-OE1 3.04Å; R62-E78 PolarHBondContact NH2-OE1 3.3Å; R62-E78 IonicContact NH2-OE2 3.18Å; R62-E78 PolarHBondContact NH2-OE2 3.48Å; R62-E78 VanDerWaalsContact NH2-OE2 3.17Å; R62-S151 PolarHBondContact NH1-O 3.09Å; R62-S151 VanDerWaalsContact NH1-O 3.08Å
63K88.3Confident89.6Confident100 Ų10045.9 Ų45.944%0.43522%0.224SC..Hα-helixtrans-71.4-40.3178.8-174.6-171-171.6172.10113.3L59 Y61 F417 E422L59-K63 WeakPolarHBondContact O-CB 3.37Å; L59-K63 PolarHBondContact O-N 2.72Å; Y61-K63 VanDerWaalsContact C-N 3.28Å; Y61-K63 PolarHBondContact O-N 2.97Å; K63-F417 WeakPolarHBondContact CD-O 3.43Å; K63-E422 WeakPolarHBondContact CD-OE1 3.32Å; K63-E422 IonicContact NZ-OE1 3.97Å; K63-E422 IonicContact NZ-OE2 3.61Å; K63-E422 PolarHBondContact NZ-OE2 3.41Å
64N84.1Confident89.5Confident49 Ų4946 Ų4626%0.26223%0.225SC..Hα-helixtrans-103.815.9-172.5-60.5-73.9000113.3L11 A60 Y61 D66L11-N64 HydrophobicContact CD1-CB 4.02Å; A60-N64 WeakPolarHBondContact O-CB 3.47Å; A60-N64 PolarHBondContact O-N 2.72Å; A60-N64 VanDerWaalsContact O-N 3.08Å; A60-N64 PolarHBondContact O-ND2 2.72Å; Y61-N64 CarbonylContact O-C 3.56Å; Y61-N64 PolarHBondContact O-N 3.38Å; N64-D66 PolarHBondContact O-N 3.06Å; N64-D66 VanDerWaalsContact O-N 3.11Å
65A76.9Confident89.3Confident26 Ų2652.7 Ų52.722%0.21525%0.251CS..  trans-69.7106.9-175.400000111.7Y61 D70 K71Y61-A65 WeakPolarHBondContact O-CA 3.47Å; Y61-A65 WeakPolarHBondContact O-CB 3.25Å; Y61-A65 PolarHBondContact O-N 2.93Å; A65-D70 HydrophobicContact CB-CB 3.92Å; A65-K71 HydrophobicContact CB-CG 3.76Å
66D74.2Confident89.2Confident109 Ų10958.7 Ų58.758%0.58328%0.279SS*.  trans-90-20.5174.6-69.1-34.8000112S5 N64 D70S5-D66 WeakPolarHBondContact CB-OD2 3.35Å; S5-D66 PolarHBondContact OG-OD2 3.48Å; N64-D66 PolarHBondContact O-N 3.06Å; N64-D66 VanDerWaalsContact O-N 3.11Å; D66-D70 PolarHBondContact N-OD2 3Å
67R78.2Confident89.2Confident92 Ų9259.5 Ų59.535%0.34728%0.283SS..SBendtrans-133158.7-174.4-59.6-177.7-180-173.1-0.3111.9R2 E69 D70 K71R2-R67 PolarHBondContact O-NH2 3.1Å; R67-E69 HydrophobicContact CB-CB 4.48Å; R67-E69 PolarHBondContact O-N 2.82Å; R67-D70 PolarHBondContact N-OD2 3.26Å; R67-D70 WeakPolarHBondContact O-CB 3.36Å; R67-D70 PolarHBondContact O-N 3.05Å; R67-K71 PolarHBondContact O-N 2.94Å
68D80.6Confident89.2Confident125 Ų12560.7 Ų60.767%0.66829%0.289SS*.Hα-helixtrans-63.3-29.1173.7-65.6-30.2000112.3D70 K71 A72D68-D70 VanDerWaalsContact C-N 3.32Å; D68-D70 PolarHBondContact O-N 2.62Å; D68-K71 PolarHBondContact O-N 3.47Å; D68-K71 IonicContact OD1-NZ 3.85Å; D68-A72 WeakPolarHBondContact O-CB 3Å; D68-A72 PolarHBondContact O-N 3.06Å
69E83.6Confident89.2Confident113 Ų11364.2 Ų64.253%0.52831%0.305SS..Hα-helixtrans-59.2-40.2170.7-68.2175.6-170.800112.4R67 A72 K73R67-E69 HydrophobicContact CB-CB 4.48Å; R67-E69 PolarHBondContact O-N 2.82Å; E69-A72 PolarHBondContact O-N 3.18Å; E69-K73 WeakPolarHBondContact O-CG 3.22Å; E69-K73 PolarHBondContact O-N 3.27Å
70D85.5Confident89.2Confident4 Ų465 Ų652%0.02131%0.312CS..Hα-helixtrans-70.3-36-179.9-59.3-42.3000110.8R4 Y61 A65 D66 R67 D68 K73 A74R4-D70 IonicContact CZ-OD1 3.21Å; R4-D70 IonicContact NE-OD1 3.97Å; R4-D70 IonicContact NH2-OD1 2.78Å; R4-D70 PolarHBondContact NH2-OD1 3.06Å; Y61-D70 HydrophobicContact CD1-CB 4.17Å; A65-D70 HydrophobicContact CB-CB 3.92Å; D66-D70 PolarHBondContact N-OD2 3Å; R67-D70 PolarHBondContact N-OD2 3.26Å; R67-D70 WeakPolarHBondContact O-CB 3.36Å; R67-D70 PolarHBondContact O-N 3.05Å; D68-D70 VanDerWaalsContact C-N 3.32Å; D68-D70 PolarHBondContact O-N 2.62Å; D70-K73 PolarHBondContact O-N 2.66Å; D70-A74 PolarHBondContact O-N 3.22Å
71K87.3Confident89.4Confident120 Ų12065 Ų6552%0.52231%0.312SS..Hα-helixtrans-67.1-40.2173-63.6179.1-174.9162.50112.1A65 R67 D68 A74 Y75A65-K71 HydrophobicContact CB-CG 3.76Å; R67-K71 PolarHBondContact O-N 2.94Å; D68-K71 PolarHBondContact O-N 3.47Å; D68-K71 IonicContact OD1-NZ 3.85Å; K71-A74 PolarHBondContact O-N 3.35Å; K71-Y75 PolarHBondContact O-N 3.36Å
72A90.2Very high89.6Confident47 Ų4765.1 Ų65.139%0.38831%0.313SS..Hα-helixtrans-62-45.5175.500000110.9D68 E69 A74 Y75 E76D68-A72 WeakPolarHBondContact O-CB 3Å; D68-A72 PolarHBondContact O-N 3.06Å; E69-A72 PolarHBondContact O-N 3.18Å; A72-A74 PolarHBondContact O-N 3.21Å; A72-Y75 PolarHBondContact O-N 3.2Å; A72-E76 WeakPolarHBondContact O-CG 3.49Å; A72-E76 PolarHBondContact O-N 3.28Å
73K91.6Very high89.9Confident64 Ų6464.2 Ų64.228%0.27831%0.312SS..Hα-helixtrans-60-44.6173.8-73-177.3-177.3-165.90112.6D12 Y61 E69 D70 Y75 E76 L77D12-K73 IonicContact OD1-NZ 3.78Å; D12-K73 PolarHBondContact OD1-NZ 2.61Å; D12-K73 IonicContact OD2-NZ 2.9Å; Y61-K73 HydrophobicContact CE1-CD 4.14Å; E69-K73 WeakPolarHBondContact O-CG 3.22Å; E69-K73 PolarHBondContact O-N 3.27Å; D70-K73 PolarHBondContact O-N 2.66Å; K73-Y75 VanDerWaalsContact C-N 3.29Å; K73-Y75 PolarHBondContact O-N 3.2Å; K73-E76 PolarHBondContact O-N 2.92Å; K73-L77 VanDerWaalsContact O-CG 3.3Å; K73-L77 WeakPolarHBondContact O-CG 3.43Å; K73-L77 PolarHBondContact O-N 3Å
74A94.1Very high90.4Very high3 Ų359.5 Ų59.53%0.02529%0.291CS..Hα-helixtrans-55.7-48175.500000110.8R62 D70 K71 A72 E76 L77 E78R62-A74 HydrophobicContact CB-CB 4.47Å; D70-A74 PolarHBondContact O-N 3.22Å; K71-A74 PolarHBondContact O-N 3.35Å; A72-A74 PolarHBondContact O-N 3.21Å; A74-E76 PolarHBondContact O-N 2.72Å; A74-L77 PolarHBondContact O-N 2.82Å; A74-E78 VanDerWaalsContact O-CG 3.23Å; A74-E78 WeakPolarHBondContact O-CG 3.48Å; A74-E78 PolarHBondContact O-N 3.38Å
75Y94.6Very high91.1Very high140 Ų14057.1 Ų57.155%0.54928%0.278SS..Hα-helixtrans-62.3-43.3178.6-177.1-100000113K71 A72 K73 L77 E78 Q79K71-Y75 PolarHBondContact O-N 3.36Å; A72-Y75 PolarHBondContact O-N 3.2Å; K73-Y75 VanDerWaalsContact C-N 3.29Å; K73-Y75 PolarHBondContact O-N 3.2Å; Y75-L77 VanDerWaalsContact C-N 3.34Å; Y75-L77 PolarHBondContact O-N 2.91Å; Y75-E78 WeakPolarHBondContact O-CB 3.29Å; Y75-E78 PolarHBondContact O-N 3.3Å; Y75-Q79 HydrophobicContact CD1-CG 4.1Å; Y75-Q79 HydrophobicContact CE1-CG 3.67Å; Y75-Q79 HydrophobicContact CE2-CG 4.24Å; Y75-Q79 WeakPolarHBondContact O-CG 3.31Å; Y75-Q79 PolarHBondContact O-N 2.86Å
76E95.7Very high92.1Very high126 Ų12658.8 Ų58.859%0.58928%0.279SS*.Hα-helixtrans-60.1-43176.4-73.4174.5-175.100112.4A72 K73 A74 Q79 S80A72-E76 WeakPolarHBondContact O-CG 3.49Å; A72-E76 PolarHBondContact O-N 3.28Å; K73-E76 PolarHBondContact O-N 2.92Å; A74-E76 PolarHBondContact O-N 2.72Å; E76-Q79 PolarHBondContact O-N 3.32Å; E76-S80 PolarHBondContact O-N 2.91Å; E76-S80 PolarHBondContact O-OG 3Å
77L97.4Very high93.2Very high16 Ų1653.8 Ų53.88%0.08425%0.254CS..Hα-helixtrans-64.6-43.5175.5-66.4169.5000111L23 V54 L57 Y61 K73 A74 Y75 Q79 S80 V81L23-L77 HydrophobicContact CD1-CD2 3.8Å; V54-L77 HydrophobicContact CG1-CB 4.11Å; V54-L77 HydrophobicContact CG1-CD2 3.88Å; L57-L77 HydrophobicContact CB-CD1 4.38Å; L57-L77 HydrophobicContact CD2-CD1 3.96Å; L57-L77 HydrophobicContact CG-CD1 3.87Å; Y61-L77 HydrophobicContact CD2-CD1 3.76Å; Y61-L77 HydrophobicContact CE2-CD1 4.04Å; K73-L77 VanDerWaalsContact O-CG 3.3Å; K73-L77 WeakPolarHBondContact O-CG 3.43Å; K73-L77 PolarHBondContact O-N 3Å; A74-L77 PolarHBondContact O-N 2.82Å; Y75-L77 VanDerWaalsContact C-N 3.34Å; Y75-L77 PolarHBondContact O-N 2.91Å; L77-Q79 PolarHBondContact O-N 2.92Å; L77-S80 WeakPolarHBondContact O-CB 3.18Å; L77-S80 PolarHBondContact O-N 3.42Å; L77-S80 VanDerWaalsContact O-N 3.15Å; L77-V81 WeakPolarHBondContact O-CG2 3.23Å; L77-V81 PolarHBondContact O-N 3.47Å
78E97.1Very high94.2Very high26 Ų2649.5 Ų49.512%0.12124%0.238CC..Hα-helixtrans-59.6-44.1175.7-71.8170.3-161.700112.2S58 R62 A74 Y75 S80 V81 V82 L153S58-E78 WeakPolarHBondContact OG-CG 3.39Å; R62-E78 IonicContact CZ-OE1 3.48Å; R62-E78 IonicContact NE-OE1 3.48Å; R62-E78 PolarHBondContact NE-OE1 3.31Å; R62-E78 IonicContact NH2-OE1 3.04Å; R62-E78 PolarHBondContact NH2-OE1 3.3Å; R62-E78 IonicContact NH2-OE2 3.18Å; R62-E78 PolarHBondContact NH2-OE2 3.48Å; R62-E78 VanDerWaalsContact NH2-OE2 3.17Å; A74-E78 VanDerWaalsContact O-CG 3.23Å; A74-E78 WeakPolarHBondContact O-CG 3.48Å; A74-E78 PolarHBondContact O-N 3.38Å; Y75-E78 WeakPolarHBondContact O-CB 3.29Å; Y75-E78 PolarHBondContact O-N 3.3Å; E78-S80 VanDerWaalsContact C-N 3.28Å; E78-S80 PolarHBondContact O-N 3.48Å; E78-V81 WeakPolarHBondContact O-CB 3.37Å; E78-V81 PolarHBondContact O-N 3.44Å; E78-V82 WeakPolarHBondContact O-CG2 3.49Å; E78-V82 PolarHBondContact O-N 2.91Å; E78-L153 HydrophobicContact CB-CD2 3.72Å; E78-L153 HydrophobicContact CG-CD2 3.84Å
79Q97.1Very high95Very high73 Ų7343.7 Ų43.734%0.34121%0.206SC..Hα-helixtrans-64.9-34.1176.6-66.6-47.9-55.900112Y75 E76 L77 V81 V82 K83Y75-Q79 HydrophobicContact CD1-CG 4.1Å; Y75-Q79 HydrophobicContact CE1-CG 3.67Å; Y75-Q79 HydrophobicContact CE2-CG 4.24Å; Y75-Q79 WeakPolarHBondContact O-CG 3.31Å; Y75-Q79 PolarHBondContact O-N 2.86Å; E76-Q79 PolarHBondContact O-N 3.32Å; L77-Q79 PolarHBondContact O-N 2.92Å; Q79-V81 VanDerWaalsContact C-N 3.33Å; Q79-V82 PolarHBondContact O-N 3.41Å; Q79-K83 VanDerWaalsContact O-CB 3.25Å; Q79-K83 WeakPolarHBondContact O-CB 3.35Å; Q79-K83 PolarHBondContact O-N 3.43Å
80S97.9Very high95.6Very high29 Ų2942.2 Ų42.220%0.20320%0.2CC..Hα-helixtrans-64.5-38.7174-560000111.7Q26 E76 L77 E78 L84Q26-S80 PolarHBondContact NE2-O 3.43Å; E76-S80 PolarHBondContact O-N 2.91Å; E76-S80 PolarHBondContact O-OG 3Å; L77-S80 WeakPolarHBondContact O-CB 3.18Å; L77-S80 PolarHBondContact O-N 3.42Å; L77-S80 VanDerWaalsContact O-N 3.15Å; E78-S80 VanDerWaalsContact C-N 3.28Å; E78-S80 PolarHBondContact O-N 3.48Å; S80-L84 PolarHBondContact O-N 2.93Å
81V98.3Very high96.2Very high0 Ų042 Ų420%020%0.199CC..Hα-helixtrans-64.9-52.11741780000111.1I51 V54 W55 L77 E78 Q79 K83 L84 M85 M148 L153I51-V81 HydrophobicContact CD1-CG2 4.4Å; I51-V81 HydrophobicContact CG1-CB 4.09Å; I51-V81 HydrophobicContact CG1-CG1 4.15Å; I51-V81 HydrophobicContact CG1-CG2 3.9Å; I51-V81 HydrophobicContact CG2-CG1 4.47Å; V54-V81 HydrophobicContact CB-CG2 4.01Å; V54-V81 HydrophobicContact CG1-CG2 3.81Å; W55-V81 HydrophobicContact CB-CG1 4.23Å; W55-V81 HydrophobicContact CB-CG2 3.86Å; L77-V81 WeakPolarHBondContact O-CG2 3.23Å; L77-V81 PolarHBondContact O-N 3.47Å; E78-V81 WeakPolarHBondContact O-CB 3.37Å; E78-V81 PolarHBondContact O-N 3.44Å; Q79-V81 VanDerWaalsContact C-N 3.33Å; V81-K83 VanDerWaalsContact C-N 3.26Å; V81-K83 PolarHBondContact O-N 2.9Å; V81-L84 PolarHBondContact O-N 3.45Å; V81-M85 HydrophobicContact CG1-CG 4.47Å; V81-M85 WeakPolarHBondContact O-CG 3.36Å; V81-M85 PolarHBondContact O-N 3.33Å; V81-M148 HydrophobicContact CG1-CE 3.92Å; V81-M148 HydrophobicContact CG1-SD 3.6Å; V81-M148 VanDerWaalsContact CG1-SD 3.6Å; V81-L153 HydrophobicContact CG1-CD1 3.96Å
82V98.1Very high96.7Very high4 Ų436.5 Ų36.52%0.02418%0.175CC..Hα-helixtrans-56.8-43.5179.7170.10000110.5E78 Q79 L84 M85 R86 L153 I155 Y157E78-V82 WeakPolarHBondContact O-CG2 3.49Å; E78-V82 PolarHBondContact O-N 2.91Å; Q79-V82 PolarHBondContact O-N 3.41Å; V82-L84 PolarHBondContact O-N 3.15Å; V82-M85 PolarHBondContact O-N 3.05Å; V82-R86 HydrophobicContact CG1-CG 4.25Å; V82-R86 WeakPolarHBondContact O-CB 3.36Å; V82-R86 VanDerWaalsContact O-CG 3.25Å; V82-R86 WeakPolarHBondContact O-CG 3.43Å; V82-R86 PolarHBondContact O-N 3.17Å; V82-L153 HydrophobicContact CG2-CD2 4.03Å; V82-I155 HydrophobicContact CG2-CG1 4.26Å; V82-Y157 VanDerWaalsContact CG1-OH 3.31Å; V82-Y157 WeakPolarHBondContact CG1-OH 3.47Å
83K97.8Very high97Very high83 Ų8336.5 Ų36.536%0.36117%0.167SC..Hα-helixtrans-60.8-45.9179.9-164179.8-172.2157.40112.5P28 V29 Q79 V81 R86 G87P28-K83 VanDerWaalsContact O-CE 3.31Å; P28-K83 WeakPolarHBondContact O-CE 3.25Å; P28-K83 PolarHBondContact O-NZ 3.25Å; V29-K83 WeakPolarHBondContact O-CE 3.26Å; Q79-K83 VanDerWaalsContact O-CB 3.25Å; Q79-K83 WeakPolarHBondContact O-CB 3.35Å; Q79-K83 PolarHBondContact O-N 3.43Å; V81-K83 VanDerWaalsContact C-N 3.26Å; V81-K83 PolarHBondContact O-N 2.9Å; K83-R86 PolarHBondContact O-N 3.46Å; K83-G87 PolarHBondContact O-N 3.41Å
84L98.3Very high97.2Very high0 Ų040.2 Ų40.20%018%0.179CC..Hα-helixtrans-63.6-48.5177.6-176.7147.4000111.8G31 L33 N47 I51 S80 V81 V82 R86 G87 V88G31-L84 WeakPolarHBondContact O-CA 3.42Å; G31-L84 WeakPolarHBondContact O-CB 3.27Å; G31-L84 WeakPolarHBondContact O-CD1 3.4Å; G31-L84 WeakPolarHBondContact O-CG 3.4Å; L33-L84 HydrophobicContact CD1-CD1 3.59Å; L33-L84 HydrophobicContact CG-CD1 3.81Å; N47-L84 HydrophobicContact CB-CD1 4.28Å; N47-L84 HydrophobicContact CB-CD2 4.06Å; N47-L84 HydrophobicContact CB-CG 4.44Å; I51-L84 HydrophobicContact CB-CD1 4.04Å; I51-L84 HydrophobicContact CB-CD2 4.09Å; I51-L84 HydrophobicContact CD1-CB 4.22Å; I51-L84 HydrophobicContact CD1-CD1 3.98Å; I51-L84 HydrophobicContact CG1-CB 4.19Å; I51-L84 HydrophobicContact CG1-CD1 4.17Å; I51-L84 HydrophobicContact CG1-CD2 4.43Å; I51-L84 HydrophobicContact CG2-CD2 3.99Å; S80-L84 PolarHBondContact O-N 2.93Å; V81-L84 PolarHBondContact O-N 3.45Å; V82-L84 PolarHBondContact O-N 3.15Å; L84-R86 VanDerWaalsContact C-N 3.27Å; L84-R86 PolarHBondContact O-N 3.03Å; L84-G87 WeakPolarHBondContact O-CA 3.48Å; L84-G87 PolarHBondContact O-N 3.22Å; L84-V88 HydrophobicContact CD2-CG2 4.37Å; L84-V88 PolarHBondContact O-N 3.35Å
85M98.4Very high97.2Very high0 Ų040.5 Ų40.50%018%0.18CC..Hα-helixtrans-62.1-37.7-179.6-66.9-61-74.200111.5V48 I51 V81 V82 V88 L89 F141 F144 L145 M148 I155V48-M85 HydrophobicContact CG2-SD 4.23Å; I51-M85 HydrophobicContact CG2-SD 4.4Å; V81-M85 HydrophobicContact CG1-CG 4.47Å; V81-M85 WeakPolarHBondContact O-CG 3.36Å; V81-M85 PolarHBondContact O-N 3.33Å; V82-M85 PolarHBondContact O-N 3.05Å; M85-V88 PolarHBondContact O-N 2.96Å; M85-L89 PolarHBondContact O-N 3.48Å; M85-F141 HydrophobicContact CE-CD2 3.54Å; M85-F141 HydrophobicContact CE-CE2 3.64Å; M85-F141 WeakPolarHBondContact O-CE2 3.33Å; M85-F141 HydrophobicContact SD-CD2 4.28Å; M85-F141 HydrophobicContact SD-CE2 4.4Å; M85-F144 HydrophobicContact CE-CB 4.27Å; M85-L145 HydrophobicContact CE-CB 4.3Å; M85-M148 HydrophobicContact CE-SD 4.23Å; M85-M148 HydrophobicContact CG-SD 3.84Å; M85-M148 HydrophobicContact SD-SD 4.23Å; M85-I155 HydrophobicContact CB-CD1 4.19Å; M85-I155 HydrophobicContact CB-CG2 3.94Å; M85-I155 HydrophobicContact CG-CD1 4.26Å
86R97.8Very high97.3Very high60 Ų6034.8 Ų34.823%0.22616%0.159CC..Hα-helixtrans-69-35172.3-71.5-172.763.270.77.5112.9V82 K83 L84 V88 L89 Q90 I155 Y157 E161V82-R86 HydrophobicContact CG1-CG 4.25Å; V82-R86 WeakPolarHBondContact O-CB 3.36Å; V82-R86 VanDerWaalsContact O-CG 3.25Å; V82-R86 WeakPolarHBondContact O-CG 3.43Å; V82-R86 PolarHBondContact O-N 3.17Å; K83-R86 PolarHBondContact O-N 3.46Å; L84-R86 VanDerWaalsContact C-N 3.27Å; L84-R86 PolarHBondContact O-N 3.03Å; R86-V88 VanDerWaalsContact C-N 3.32Å; R86-V88 PolarHBondContact O-N 2.88Å; R86-L89 PolarHBondContact O-N 3.49Å; R86-Q90 WeakPolarHBondContact O-CB 3.23Å; R86-Q90 PolarHBondContact O-N 3.3Å; R86-I155 HydrophobicContact CG-CG2 4.12Å; R86-I155 PolarHBondContact NH1-O 2.94Å; R86-Y157 VanDerWaalsContact CD-CZ 3.48Å; R86-Y157 WeakPolarHBondContact CD-OH 3.5Å; R86-Y157 VanDerWaalsContact NH1-CD2 3.26Å; R86-E161 IonicContact CZ-OE1 3.94Å; R86-E161 IonicContact NH1-OE1 3.43Å; R86-E161 PolarHBondContact NH1-OE1 3.15Å; R86-E161 IonicContact NH1-OE2 2.9Å; R86-E161 IonicContact NH2-OE1 2.78Å; R86-E161 PolarHBondContact NH2-OE1 3.22Å
87G97.8Very high97.3Very high5 Ų532.7 Ų32.75%0.05215%0.152CC..Hα-helixtrans-58.3-43.4171.600000112.2T30 K83 L84 Q90 C91T30-G87 VanDerWaalsContact O-CA 3.28Å; T30-G87 WeakPolarHBondContact O-CA 3.37Å; K83-G87 PolarHBondContact O-N 3.41Å; L84-G87 WeakPolarHBondContact O-CA 3.48Å; L84-G87 PolarHBondContact O-N 3.22Å; G87-Q90 PolarHBondContact O-N 3Å; G87-C91 PolarHBondContact O-N 2.69Å; G87-C91 VanDerWaalsContact O-N 3.14Å; G87-C91 PolarHBondContact O-SG 3.48Å
88V98.1Very high97.2Very high2 Ų232.8 Ų32.81%0.01215%0.152CC..Hα-helixtrans-64.8-46.9174.11760000111.1L32 V44 N47 L84 M85 R86 Q90 C91 I92 F141L32-V88 HydrophobicContact CD2-CG2 3.92Å; V44-V88 HydrophobicContact CG1-CG1 3.96Å; V44-V88 HydrophobicContact CG2-CG1 4.35Å; N47-V88 HydrophobicContact CB-CG2 4.41Å; L84-V88 HydrophobicContact CD2-CG2 4.37Å; L84-V88 PolarHBondContact O-N 3.35Å; M85-V88 PolarHBondContact O-N 2.96Å; R86-V88 VanDerWaalsContact C-N 3.32Å; R86-V88 PolarHBondContact O-N 2.88Å; V88-Q90 VanDerWaalsContact C-N 3.26Å; V88-Q90 PolarHBondContact O-N 3Å; V88-C91 WeakPolarHBondContact O-CB 3.3Å; V88-C91 PolarHBondContact O-N 3.03Å; V88-C91 VanDerWaalsContact O-N 3.07Å; V88-I92 HydrophobicContact CG1-CD1 4.2Å; V88-I92 PolarHBondContact O-N 3.23Å; V88-I92 VanDerWaalsContact O-N 3.14Å; V88-F141 HydrophobicContact CB-CD2 4.01Å; V88-F141 HydrophobicContact CB-CE2 3.95Å; V88-F141 HydrophobicContact CG1-CD2 3.52Å; V88-F141 HydrophobicContact CG1-CE2 3.81Å; V88-F141 HydrophobicContact CG1-CG 3.96Å; V88-F141 HydrophobicContact CG1-CZ 4.48Å
89L98Very high97.2Very high2 Ų231.6 Ų31.61%0.0115%0.146CC..Hα-helixtrans-56-41.9175.6-179.760.2000111.6M85 R86 C91 I92 M93 F141 I156 E161 V164 I165M85-L89 PolarHBondContact O-N 3.48Å; R86-L89 PolarHBondContact O-N 3.49Å; L89-C91 VanDerWaalsContact C-N 3.33Å; L89-C91 PolarHBondContact O-N 3.02Å; L89-I92 WeakPolarHBondContact O-CB 3.4Å; L89-I92 PolarHBondContact O-N 3.42Å; L89-I92 VanDerWaalsContact O-N 3.14Å; L89-M93 HydrophobicContact CD1-CG 4.16Å; L89-M93 HydrophobicContact CD1-SD 4.32Å; L89-M93 HydrophobicContact CD2-SD 4.4Å; L89-M93 HydrophobicContact CG-CG 4.26Å; L89-M93 HydrophobicContact CG-SD 3.95Å; L89-M93 WeakPolarHBondContact O-CG 3.47Å; L89-M93 PolarHBondContact O-N 3.05Å; L89-F141 HydrophobicContact CB-CZ 4.11Å; L89-I156 HydrophobicContact CD2-CD1 3.72Å; L89-E161 HydrophobicContact CD2-CB 4.43Å; L89-E161 HydrophobicContact CD2-CG 4.12Å; L89-V164 HydrophobicContact CD1-CG1 4.3Å; L89-I165 HydrophobicContact CD1-CD1 4Å
90Q97.3Very high97.1Very high83 Ų8329.4 Ų29.439%0.38814%0.136SC..Hα-helixtrans-65.2-34.6178.2-171.664.73.200112.7R86 G87 V88 I92 R94R86-Q90 WeakPolarHBondContact O-CB 3.23Å; R86-Q90 PolarHBondContact O-N 3.3Å; G87-Q90 PolarHBondContact O-N 3Å; V88-Q90 VanDerWaalsContact C-N 3.26Å; V88-Q90 PolarHBondContact O-N 3Å; Q90-I92 VanDerWaalsContact C-N 3.32Å; Q90-R94 WeakPolarHBondContact O-CG 3.5Å; Q90-R94 PolarHBondContact O-N 3.25Å
91C97.4Very high96.9Very high0 Ų032.9 Ų32.90%015%0.148CC..Hα-helixtrans-63.3-40.3172.7-61.80000111.4G87 V88 L89 Q95 Y116 C121G87-C91 PolarHBondContact O-N 2.69Å; G87-C91 VanDerWaalsContact O-N 3.14Å; G87-C91 PolarHBondContact O-SG 3.48Å; V88-C91 WeakPolarHBondContact O-CB 3.3Å; V88-C91 PolarHBondContact O-N 3.03Å; V88-C91 VanDerWaalsContact O-N 3.07Å; L89-C91 VanDerWaalsContact C-N 3.33Å; L89-C91 PolarHBondContact O-N 3.02Å; C91-Q95 PolarHBondContact O-NE2 3.24Å; C91-Q95 VanDerWaalsContact O-NE2 3.08Å; C91-Y116 HydrophobicContact CB-CD1 3.75Å; C91-Y116 HydrophobicContact CB-CD2 3.65Å; C91-Y116 HydrophobicContact CB-CE1 3.82Å; C91-Y116 HydrophobicContact CB-CE2 3.71Å; C91-Y116 HydrophobicContact CB-CG 3.65Å; C91-C121 WeakPolarHBondContact SG-CB 3.37Å
92I96.8Very high96.6Very high4 Ų433 Ų332%0.02115%0.148CC..Hα-helixtrans-70.5-45.4178.5-63.5168.6000111.1V88 L89 Q90 R94 Q95 V99 L112 F141 L168V88-I92 HydrophobicContact CG1-CD1 4.2Å; V88-I92 PolarHBondContact O-N 3.23Å; V88-I92 VanDerWaalsContact O-N 3.14Å; L89-I92 WeakPolarHBondContact O-CB 3.4Å; L89-I92 PolarHBondContact O-N 3.42Å; L89-I92 VanDerWaalsContact O-N 3.14Å; Q90-I92 VanDerWaalsContact C-N 3.32Å; I92-R94 PolarHBondContact O-N 2.94Å; I92-R94 VanDerWaalsContact O-N 3.1Å; I92-Q95 CarbonylContact O-C 3.22Å; I92-Q95 PolarHBondContact O-N 3.14Å; I92-V99 HydrophobicContact CG2-CG2 4.46Å; I92-L112 HydrophobicContact CG2-CD1 4.16Å; I92-L112 HydrophobicContact CG2-CD2 4.4Å; I92-F141 HydrophobicContact CD1-CD1 4.01Å; I92-F141 HydrophobicContact CD1-CE1 4.03Å; I92-L168 HydrophobicContact CD1-CD1 4.17Å; I92-L168 HydrophobicContact CG2-CD1 3.9Å; I92-L168 HydrophobicContact CG2-CD2 3.67Å; I92-L168 HydrophobicContact CG2-CG 4.29Å
93M96.4Very high96.2Very high46 Ų4633 Ų3323%0.22715%0.148CC..Hα-helixtrans-62.4-18.4179.4-72.5-178.673.900113.6L89 Q95 L96 E161 V164L89-M93 HydrophobicContact CD1-CG 4.16Å; L89-M93 HydrophobicContact CD1-SD 4.32Å; L89-M93 HydrophobicContact CD2-SD 4.4Å; L89-M93 HydrophobicContact CG-CG 4.26Å; L89-M93 HydrophobicContact CG-SD 3.95Å; L89-M93 WeakPolarHBondContact O-CG 3.47Å; L89-M93 PolarHBondContact O-N 3.05Å; M93-Q95 VanDerWaalsContact C-N 3.27Å; M93-L96 WeakPolarHBondContact O-CG 3.26Å; M93-E161 HydrophobicContact CE-CG 4.16Å; M93-E161 HydrophobicContact SD-CG 3.96Å; M93-V164 HydrophobicContact CG-CG1 4.2Å; M93-V164 HydrophobicContact CG-CG2 4.43Å
94R95.9Very high95.5Very high142 Ų14235.1 Ų35.154%0.53615%0.154SC..THydrogen-bonded Turntrans-78.8-7.9172.3-75.4174.5169.4-143.75.9114.2Q90 I92 T120 C121Q90-R94 WeakPolarHBondContact O-CG 3.5Å; Q90-R94 PolarHBondContact O-N 3.25Å; I92-R94 PolarHBondContact O-N 2.94Å; I92-R94 VanDerWaalsContact O-N 3.1Å; R94-T120 PolarHBondContact NH1-O 3.47Å; R94-T120 PolarHBondContact NH2-O 2.84Å; R94-C121 WeakPolarHBondContact CD-O 3.44Å
95Q95.7Very high94.9Very high9 Ų937.7 Ų37.74%0.04217%0.172CC..THydrogen-bonded Turntrans-128.533.6-176.8-67.8168.795.300111.6C91 I92 M93 D97 K98 V99 L112 H113 Y116 I123C91-Q95 PolarHBondContact O-NE2 3.24Å; C91-Q95 VanDerWaalsContact O-NE2 3.08Å; I92-Q95 CarbonylContact O-C 3.22Å; I92-Q95 PolarHBondContact O-N 3.14Å; M93-Q95 VanDerWaalsContact C-N 3.27Å; Q95-D97 PolarHBondContact O-N 3.4Å; Q95-K98 HydrophobicContact CB-CB 4.38Å; Q95-K98 HydrophobicContact CB-CD 4.13Å; Q95-K98 HydrophobicContact CG-CD 4.22Å; Q95-K98 WeakPolarHBondContact O-CB 3.38Å; Q95-K98 PolarHBondContact O-N 3.06Å; Q95-V99 PolarHBondContact O-N 2.79Å; Q95-L112 HydrophobicContact CB-CD2 3.79Å; Q95-H113 PolarHBondContact OE1-CD2 3.3Å; Q95-H113 VanDerWaalsContact OE1-CD2 3.29Å; Q95-Y116 VanDerWaalsContact NE2-CZ 3.34Å; Q95-Y116 PolarHBondContact NE2-OH 3.14Å; Q95-I123 HydrophobicContact CG-CG2 4.44Å
96L96.3Very high94.3Very high20 Ų2041.2 Ų41.211%0.10519%0.185CC..Hα-helixtrans-62.4-27.8-178.9-67.6176.6000112.8M93 K98 V99 E100 V164 L492M93-L96 WeakPolarHBondContact O-CG 3.26Å; L96-K98 VanDerWaalsContact C-N 3.28Å; L96-K98 PolarHBondContact O-N 3.23Å; L96-V99 WeakPolarHBondContact O-CB 3.5Å; L96-V99 PolarHBondContact O-N 2.68Å; L96-E100 PolarHBondContact O-N 3.02Å; L96-V164 HydrophobicContact CD1-CG2 4.24Å; L96-V164 HydrophobicContact CD2-CG1 3.89Å; L96-V164 HydrophobicContact CD2-CG2 3.92Å; L96-L492 HydrophobicContact CD1-CB 4.13Å; L96-L492 HydrophobicContact CD1-CD1 4.14Å; L96-L492 HydrophobicContact CD1-CD2 4.21Å; L96-L492 HydrophobicContact CD1-CG 4.4Å
97D95.7Very high93.6Very high82 Ų8240.2 Ų40.244%0.43919%0.188SC..Hα-helixtrans-63.4-34.9174.475.3-61.8000112Q95 K101Q95-D97 PolarHBondContact O-N 3.4Å; D97-K101 WeakPolarHBondContact O-CD 3.44Å; D97-K101 VanDerWaalsContact O-CG 3.26Å; D97-K101 WeakPolarHBondContact O-CG 3.44Å; D97-K101 PolarHBondContact O-N 3Å; D97-K101 IonicContact OD2-NZ 2.89Å; D97-K101 PolarHBondContact OD2-NZ 3.36Å
98K95.8Very high93.1Very high18 Ų1842 Ų428%0.07820%0.198CC..Hα-helixtrans-68.8-44.3172.8-71.9177.9165.6-87.30111.4Q95 L96 E100 K101 F102 K109 D110 S111 D127Q95-K98 HydrophobicContact CB-CB 4.38Å; Q95-K98 HydrophobicContact CB-CD 4.13Å; Q95-K98 HydrophobicContact CG-CD 4.22Å; Q95-K98 WeakPolarHBondContact O-CB 3.38Å; Q95-K98 PolarHBondContact O-N 3.06Å; L96-K98 VanDerWaalsContact C-N 3.28Å; L96-K98 PolarHBondContact O-N 3.23Å; K98-E100 VanDerWaalsContact C-N 3.25Å; K98-E100 PolarHBondContact O-N 3.01Å; K98-K101 PolarHBondContact O-N 3.5Å; K98-F102 VanDerWaalsContact O-CB 3.24Å; K98-F102 WeakPolarHBondContact O-CB 3.33Å; K98-F102 PolarHBondContact O-N 2.82Å; K98-K109 PolarHBondContact NZ-O 3.26Å; K98-D110 WeakPolarHBondContact CB-O 3.48Å; K98-S111 WeakPolarHBondContact CD-O 3.34Å; K98-S111 PolarHBondContact NZ-O 3.02Å; K98-D127 WeakPolarHBondContact CE-OD1 3.49Å; K98-D127 IonicContact NZ-OD1 3.08Å; K98-D127 PolarHBondContact NZ-OD1 3.25Å; K98-D127 IonicContact NZ-OD2 2.67Å; K98-D127 PolarHBondContact NZ-OD2 3.19Å; K98-D127 VanDerWaalsContact NZ-OD2 3.08Å
99V95.8Very high92.7Very high1 Ų147.1 Ų47.11%0.00622%0.22CC..Hα-helixtrans-55.5-45.2174.5-179.20000110.4I92 Q95 L96 K103 L112 N167 L168I92-V99 HydrophobicContact CG2-CG2 4.46Å; Q95-V99 PolarHBondContact O-N 2.79Å; L96-V99 WeakPolarHBondContact O-CB 3.5Å; L96-V99 PolarHBondContact O-N 2.68Å; V99-K103 WeakPolarHBondContact O-CG 3.46Å; V99-K103 PolarHBondContact O-N 2.58Å; V99-L112 HydrophobicContact CG2-CD1 4.17Å; V99-L112 HydrophobicContact CG2-CD2 3.8Å; V99-L112 HydrophobicContact CG2-CG 4.2Å; V99-N167 HydrophobicContact CG1-CB 4.12Å; V99-L168 HydrophobicContact CG1-CD2 4.23Å; V99-L168 HydrophobicContact CG2-CD2 3.94Å
100E95.3Very high92.4Very high28 Ų2849 Ų4913%0.13123%0.23CC..Hα-helixtrans-63.1-51.3178.6-174.457.1-137.400112.4L96 K98 F102 K103 Y104 L494 T495L96-E100 PolarHBondContact O-N 3.02Å; K98-E100 VanDerWaalsContact C-N 3.25Å; K98-E100 PolarHBondContact O-N 3.01Å; E100-F102 PolarHBondContact O-N 2.6Å; E100-K103 VanDerWaalsContact CD-NZ 3.32Å; E100-K103 PolarHBondContact O-N 3.25Å; E100-K103 WeakPolarHBondContact OE1-CE 3.15Å; E100-K103 IonicContact OE1-NZ 3.99Å; E100-K103 PolarHBondContact OE1-NZ 2.97Å; E100-K103 WeakPolarHBondContact OE2-CE 3.39Å; E100-K103 IonicContact OE2-NZ 2.7Å; E100-K103 PolarHBondContact OE2-NZ 3.15Å; E100-Y104 WeakPolarHBondContact O-CD2 3.33Å; E100-L494 WeakPolarHBondContact OE2-CA 3.48Å; E100-T495 WeakPolarHBondContact OE1-CB 3.33Å; E100-T495 VanDerWaalsContact OE1-CG2 3.24Å; E100-T495 WeakPolarHBondContact OE1-CG2 3.3Å; E100-T495 PolarHBondContact OE1-OG1 3.33Å; E100-T495 PolarHBondContact OE2-N 3.47Å; E100-T495 PolarHBondContact OE2-OG1 3.38Å
101K93.5Very high92.2Very high102 Ų10245.1 Ų45.144%0.44321%0.212SC..Hα-helixtrans-61.4-43.3179.1-71165-1731590112.4D97 K98 K103 Y104 S105 D110D97-K101 WeakPolarHBondContact O-CD 3.44Å; D97-K101 VanDerWaalsContact O-CG 3.26Å; D97-K101 WeakPolarHBondContact O-CG 3.44Å; D97-K101 PolarHBondContact O-N 3Å; D97-K101 IonicContact OD2-NZ 2.89Å; D97-K101 PolarHBondContact OD2-NZ 3.36Å; K98-K101 PolarHBondContact O-N 3.5Å; K101-K103 VanDerWaalsContact C-N 3.29Å; K101-K103 PolarHBondContact O-N 3.08Å; K101-Y104 PolarHBondContact O-N 3.48Å; K101-Y104 VanDerWaalsContact O-N 3.12Å; K101-S105 PolarHBondContact O-N 3.44Å; K101-S105 PolarHBondContact O-OG 3Å; K101-D110 HydrophobicContact CB-CB 3.95Å
102F92.4Very high92.2Very high2 Ų245.3 Ų45.31%0.00921%0.213CC..Hα-helixtrans-64.4-30.6-174.3-169.2-95.2000113.4K98 E100 Y104 R106 S107 D110 L133 Y171 V178K98-F102 VanDerWaalsContact O-CB 3.24Å; K98-F102 WeakPolarHBondContact O-CB 3.33Å; K98-F102 PolarHBondContact O-N 2.82Å; E100-F102 PolarHBondContact O-N 2.6Å; F102-Y104 PolarHBondContact O-N 3.43Å; F102-R106 PolarHBondContact O-N 3.38Å; F102-S107 WeakPolarHBondContact CD2-O 3.36Å; F102-S107 WeakPolarHBondContact CE2-O 3.4Å; F102-D110 HydrophobicContact CB-CB 4.44Å; F102-D110 HydrophobicContact CD2-CB 4.44Å; F102-L133 HydrophobicContact CE2-CD1 3.65Å; F102-L133 HydrophobicContact CE2-CD2 4.29Å; F102-L133 HydrophobicContact CZ-CD1 3.52Å; F102-L133 HydrophobicContact CZ-CD2 4.47Å; F102-Y171 HydrophobicContact CB-CD2 3.82Å; F102-Y171 HydrophobicContact CB-CE2 3.55Å; F102-Y171 HydrophobicContact CD1-CD1 4.25Å; F102-Y171 AromaticContact CD1-CD2 3.32Å; F102-Y171 HydrophobicContact CD1-CD2 3.32Å; F102-Y171 HydrophobicContact CD1-CE1 4.13Å; F102-Y171 AromaticContact CD1-CE2 3.18Å; F102-Y171 HydrophobicContact CD1-CE2 3.18Å; F102-Y171 AromaticContact CD1-CG 3.86Å; F102-Y171 HydrophobicContact CD1-CG 3.86Å; F102-Y171 AromaticContact CD1-CZ 3.61Å; F102-Y171 HydrophobicContact CD2-CE2 4.08Å; F102-Y171 HydrophobicContact CE1-CD1 4.26Å; F102-Y171 HydrophobicContact CE1-CD2 4.12Å; F102-Y171 AromaticContact CE1-CE1 3.99Å; F102-Y171 HydrophobicContact CE1-CE1 3.99Å; F102-Y171 AromaticContact CE1-CE2 3.86Å; F102-Y171 HydrophobicContact CE1-CE2 3.86Å; F102-Y171 HydrophobicContact CE1-CG 4.31Å; F102-Y171 AromaticContact CE1-CZ 3.76Å; F102-Y171 AromaticContact CG-CD2 3.79Å; F102-Y171 HydrophobicContact CG-CD2 3.79Å; F102-Y171 AromaticContact CG-CE2 3.31Å; F102-Y171 HydrophobicContact CG-CE2 3.31Å; F102-Y171 AromaticContact CG-CZ 3.91Å; F102-V178 HydrophobicContact CZ-CG1 3.93Å
103K88.9Confident92.1Very high3 Ų345.3 Ų45.31%0.01321%0.213CC..Hα-helixtrans-53.2-27.9174.7-75.9-175.1-58.2-179.60113V99 E100 K101 N167 F170 T495 G496 P498 R500V99-K103 WeakPolarHBondContact O-CG 3.46Å; V99-K103 PolarHBondContact O-N 2.58Å; E100-K103 VanDerWaalsContact CD-NZ 3.32Å; E100-K103 PolarHBondContact O-N 3.25Å; E100-K103 WeakPolarHBondContact OE1-CE 3.15Å; E100-K103 IonicContact OE1-NZ 3.99Å; E100-K103 PolarHBondContact OE1-NZ 2.97Å; E100-K103 WeakPolarHBondContact OE2-CE 3.39Å; E100-K103 IonicContact OE2-NZ 2.7Å; E100-K103 PolarHBondContact OE2-NZ 3.15Å; K101-K103 VanDerWaalsContact C-N 3.29Å; K101-K103 PolarHBondContact O-N 3.08Å; K103-N167 PolarHBondContact NZ-OD1 2.71Å; K103-F170 HydrophobicContact CD-CB 3.98Å; K103-F170 HydrophobicContact CD-CD2 4.32Å; K103-F170 HydrophobicContact CG-CB 4.24Å; K103-T495 PolarHBondContact NZ-OG1 2.81Å; K103-G496 PolarHBondContact NZ-O 2.79Å; K103-P498 HydrophobicContact CB-CG 3.79Å; K103-P498 HydrophobicContact CD-CG 4.32Å; K103-P498 HydrophobicContact CG-CG 4.45Å; K103-R500 PolarHBondContact O-NH2 3.17Å
104Y84.6Confident91.9Very high129 Ų12943.3 Ų43.351%0.50620%0.204SC..Hα-helixtrans-107-48.4-180-58-86.1000112.4E100 K101 F102 T495 P498E100-Y104 WeakPolarHBondContact O-CD2 3.33Å; K101-Y104 PolarHBondContact O-N 3.48Å; K101-Y104 VanDerWaalsContact O-N 3.12Å; F102-Y104 PolarHBondContact O-N 3.43Å; Y104-T495 PolarHBondContact OH-OG1 3.14Å; Y104-P498 HydrophobicContact CD1-CB 4.36Å; Y104-P498 HydrophobicContact CE1-CB 3.75Å; Y104-P498 HydrophobicContact CE1-CG 4.06Å; Y104-P498 HydrophobicContact CE2-CG 4.46Å
105S85.3Confident91.8Very high53 Ų5337.1 Ų37.137%0.37118%0.181SC..Hα-helixtrans-77.2-36.1-171.573.10000113.6K101 S107 D110K101-S105 PolarHBondContact O-N 3.44Å; K101-S105 PolarHBondContact O-OG 3Å; S105-S107 PolarHBondContact O-N 3.49Å; S105-S107 PolarHBondContact OG-N 3.14Å; S105-D110 WeakPolarHBondContact CB-OD2 3.34Å; S105-D110 WeakPolarHBondContact OG-CB 3.46Å; S105-D110 PolarHBondContact OG-OD2 2.66Å
106R85.1Confident91.8Very high74 Ų7436.9 Ų36.928%0.27918%0.179SC..  trans50.725.3-172.4-55.2174.3-169.41496.9113.3F102 V178F102-R106 PolarHBondContact O-N 3.38Å; R106-V178 HydrophobicContact CB-CG2 4.23Å; R106-V178 HydrophobicContact CG-CG2 4.28Å
107S84.7Confident91.8Very high39 Ų3938.5 Ų38.527%0.27319%0.188SC..  trans-86.7149.2-175.8165.80000111F102 S105 K109 D110 S111F102-S107 WeakPolarHBondContact CD2-O 3.36Å; F102-S107 WeakPolarHBondContact CE2-O 3.4Å; S105-S107 PolarHBondContact O-N 3.49Å; S105-S107 PolarHBondContact OG-N 3.14Å; S107-K109 PolarHBondContact O-N 3.29Å; S107-K109 PolarHBondContact OG-N 3.46Å; S107-D110 PolarHBondContact O-N 3.19Å; S107-S111 PolarHBondContact O-N 3.34Å
108T86.8Confident91.8Very high44 Ų4435.1 Ų35.127%0.2717%0.17SC..SBendtrans-57.1-35.4172.250.80000112.3D110 S111 L133 Y181 T195T108-D110 PolarHBondContact O-N 3.28Å; T108-S111 WeakPolarHBondContact O-CB 3.46Å; T108-S111 PolarHBondContact O-N 3.26Å; T108-S111 PolarHBondContact O-OG 3.34Å; T108-L133 HydrophobicContact CG2-CB 4.27Å; T108-L133 HydrophobicContact CG2-CD2 3.84Å; T108-Y181 HydrophobicContact CG2-CE2 4.06Å; T108-T195 HydrophobicContact CG2-CG2 3.79Å
109K88.3Confident91.7Very high109 Ų10941.7 Ų41.747%0.47420%0.199SC..THydrogen-bonded Turntrans-68-34.5-178.4-62-169.1173.8-165.90113.6K98 S107 S111 D128K98-K109 PolarHBondContact NZ-O 3.26Å; S107-K109 PolarHBondContact O-N 3.29Å; S107-K109 PolarHBondContact OG-N 3.46Å; K109-S111 VanDerWaalsContact C-N 3.29Å; K109-D128 WeakPolarHBondContact CE-OD1 3.35Å; K109-D128 IonicContact NZ-OD2 2.71Å
110D91.8Very high91.7Very high40 Ų4044.9 Ų44.921%0.21422%0.219CC..THydrogen-bonded Turntrans-90.11.6-179.7-59.3-48.2000112.1K98 K101 F102 S105 S107 T108K98-D110 WeakPolarHBondContact CB-O 3.48Å; K101-D110 HydrophobicContact CB-CB 3.95Å; F102-D110 HydrophobicContact CB-CB 4.44Å; F102-D110 HydrophobicContact CD2-CB 4.44Å; S105-D110 WeakPolarHBondContact CB-OD2 3.34Å; S105-D110 WeakPolarHBondContact OG-CB 3.46Å; S105-D110 PolarHBondContact OG-OD2 2.66Å; S107-D110 PolarHBondContact O-N 3.19Å; T108-D110 PolarHBondContact O-N 3.28Å
111S94.3Very high91.6Very high2 Ų243.9 Ų43.91%0.01422%0.215CC..SBendtrans-73.4152.3-179.673.30000112.7K98 S107 T108 K109 L133 Y171K98-S111 WeakPolarHBondContact CD-O 3.34Å; K98-S111 PolarHBondContact NZ-O 3.02Å; S107-S111 PolarHBondContact O-N 3.34Å; T108-S111 WeakPolarHBondContact O-CB 3.46Å; T108-S111 PolarHBondContact O-N 3.26Å; T108-S111 PolarHBondContact O-OG 3.34Å; K109-S111 VanDerWaalsContact C-N 3.29Å; S111-L133 PolarHBondContact OG-N 2.8Å; S111-Y171 WeakPolarHBondContact CA-OH 3.44Å; S111-Y171 WeakPolarHBondContact CB-OH 3.5Å
112L96.2Very high91.7Very high4 Ų440.7 Ų40.72%0.02121%0.207CC..PPolyproline II helixtrans-62.6143.8170.7-74.1174.1000110.9I92 Q95 V99 H132 T138 L168 Y171I92-L112 HydrophobicContact CG2-CD1 4.16Å; I92-L112 HydrophobicContact CG2-CD2 4.4Å; Q95-L112 HydrophobicContact CB-CD2 3.79Å; V99-L112 HydrophobicContact CG2-CD1 4.17Å; V99-L112 HydrophobicContact CG2-CD2 3.8Å; V99-L112 HydrophobicContact CG2-CG 4.2Å; L112-H132 VanDerWaalsContact O-O 3.12Å; L112-T138 HydrophobicContact CD1-CG2 4.41Å; L112-L168 HydrophobicContact CD1-CD2 3.94Å; L112-Y171 HydrophobicContact CD1-CE2 4.23Å; L112-Y171 HydrophobicContact CG-CE2 4Å; L112-Y171 PolarHBondContact N-OH 3.09Å
113H95.2Very high91.8Very high4 Ų444.8 Ų44.82%0.01923%0.228CC..PPolyproline II helixtrans-67.4139.2173.1-78.3-133.6000111.3Q95 Y116 I123 V125 D127 H132Q95-H113 PolarHBondContact OE1-CD2 3.3Å; Q95-H113 VanDerWaalsContact OE1-CD2 3.29Å; H113-Y116 HydrophobicContact CB-CE1 3.81Å; H113-Y116 VanDerWaalsContact O-CE2 3.32Å; H113-Y116 WeakPolarHBondContact O-CE2 3.17Å; H113-Y116 PolarHBondContact O-OH 3.42Å; H113-I123 HydrophobicContact CB-CG2 4.28Å; H113-V125 PolarHBondContact CE1-O 2.94Å; H113-D127 IonicContact CD2-OD1 2.65Å; H113-D127 IonicContact CE1-OD1 3.18Å; H113-D127 IonicContact NE2-OD1 3.56Å; H113-D127 PolarHBondContact NE2-OD1 3.09Å; H113-H132 AromaticContact CE1-CD2 3.94Å; H113-H132 AromaticContact CE1-CE1 3.62Å; H113-H132 AromaticContact CE1-NE2 3.36Å; H113-H132 PolarHBondContact CE1-NE2 2.73Å; H113-H132 AromaticContact CG-CE1 3.62Å; H113-H132 AromaticContact CG-ND1 3.73Å; H113-H132 AromaticContact ND1-CE1 3.19Å; H113-H132 PolarHBondContact ND1-CE1 3.34Å; H113-H132 AromaticContact ND1-ND1 3.79Å; H113-H132 AromaticContact ND1-NE2 3.46Å; H113-H132 PolarHBondContact ND1-NE2 3.36Å; H113-H132 AromaticContact NE2-NE2 3.9Å
114A92.5Very high92Very high4 Ų446.8 Ų46.83%0.03324%0.241CC..SBendtrans-80.7-21.117500000114.7V44 H132 Q134V44-A114 PolarHBondContact N-O 3.38Å; V44-A114 VanDerWaalsContact N-O 3.09Å; A114-H132 PolarHBondContact N-ND1 3.37Å; A114-Q134 HydrophobicContact CB-CB 4.45Å; A114-Q134 VanDerWaalsContact CB-CD 3.41Å; A114-Q134 HydrophobicContact CB-CG 4.15Å; A114-Q134 VanDerWaalsContact CB-OE1 3.27Å
115K94Very high92.4Very high12 Ų1242.2 Ų42.25%0.05223%0.226CC..EExtended strand (participates in β ladder)trans-135.3145.9-174.565178-176.9-179.50112.5A42 W43 V124 W130A42-K115 CarbonylContact O-C 3.55Å; A42-K115 VanDerWaalsContact O-CA 3.31Å; A42-K115 WeakPolarHBondContact O-CA 3.13Å; W43-K115 HydrophobicContact CD2-CB 3.93Å; W43-K115 HydrophobicContact CE3-CB 4.5Å; W43-K115 HydrophobicContact CG-CB 4.07Å; W43-K115 HydrophobicContact CH2-CD 4.15Å; W43-K115 HydrophobicContact CZ2-CB 4.43Å; W43-K115 HydrophobicContact CZ2-CD 3.57Å; K115-V124 HydrophobicContact CD-CG2 4.11Å; K115-V124 HydrophobicContact CG-CG2 3.79Å; K115-W130 HydrophobicContact CD-CD2 4.37Å; K115-W130 VanDerWaalsContact NZ-CD2 3.33Å
116Y96.1Very high92.6Very high5 Ų541.1 Ų41.12%0.0222%0.223CC..EExtended strand (participates in β ladder)trans-137.9159.1-170.2-61.9-73000112.8D41 A42 V44 C91 Q95 H113 T118 I123D41-Y116 CarbonylContact C-O 3.58Å; D41-Y116 WeakPolarHBondContact CA-O 3.12Å; A42-Y116 PolarHBondContact N-O 2.99Å; A42-Y116 PolarHBondContact O-N 3.33Å; V44-Y116 HydrophobicContact CG2-CD2 4.05Å; V44-Y116 HydrophobicContact CG2-CE2 3.57Å; C91-Y116 HydrophobicContact CB-CD1 3.75Å; C91-Y116 HydrophobicContact CB-CD2 3.65Å; C91-Y116 HydrophobicContact CB-CE1 3.82Å; C91-Y116 HydrophobicContact CB-CE2 3.71Å; C91-Y116 HydrophobicContact CB-CG 3.65Å; Q95-Y116 VanDerWaalsContact NE2-CZ 3.34Å; Q95-Y116 PolarHBondContact NE2-OH 3.14Å; H113-Y116 HydrophobicContact CB-CE1 3.81Å; H113-Y116 VanDerWaalsContact O-CE2 3.32Å; H113-Y116 WeakPolarHBondContact O-CE2 3.17Å; H113-Y116 PolarHBondContact O-OH 3.42Å; Y116-T118 PolarHBondContact O-N 2.59Å; Y116-I123 HydrophobicContact CE1-CG2 4.5Å
117N96.1Very high92.7Very high53 Ų5340.7 Ų40.728%0.28323%0.226SC..EExtended strand (participates in β ladder)trans-70.5120.3171.5-176.4-85.5000109.6K119 T120 C121 A122 V124N117-K119 PolarHBondContact O-N 3.37Å; N117-K119 VanDerWaalsContact O-N 3.13Å; N117-K119 PolarHBondContact OD1-N 3.34Å; N117-K119 VanDerWaalsContact OD1-N 3.08Å; N117-T120 VanDerWaalsContact CB-OG1 3.27Å; N117-T120 WeakPolarHBondContact CB-OG1 3.04Å; N117-T120 PolarHBondContact O-N 3.1Å; N117-T120 PolarHBondContact OD1-N 2.85Å; N117-T120 PolarHBondContact OD1-OG1 3.08Å; N117-C121 WeakPolarHBondContact O-CA 3.47Å; N117-C121 PolarHBondContact O-N 2.68Å; N117-A122 PolarHBondContact N-O 3.17Å; N117-V124 HydrophobicContact CB-CG1 3.61Å
118T94.8Very high92.7Very high11 Ų1144.4 Ų44.47%0.06724%0.243CC..THydrogen-bonded Turntrans-57.1-32.1-175.5-57.10000113.4D27 T30 L32 P40 A42 Y116D27-T118 HydrophobicContact CB-CG2 3.93Å; T30-T118 WeakPolarHBondContact CB-O 3.4Å; T30-T118 VanDerWaalsContact CG2-O 3.31Å; T30-T118 WeakPolarHBondContact CG2-O 3.45Å; T30-T118 PolarHBondContact OG1-O 3.07Å; L32-T118 HydrophobicContact CB-CG2 3.86Å; L32-T118 WeakPolarHBondContact O-CG2 3.38Å; P40-T118 WeakPolarHBondContact O-CB 3.47Å; P40-T118 PolarHBondContact O-OG1 2.93Å; A42-T118 PolarHBondContact N-OG1 3.11Å; Y116-T118 PolarHBondContact O-N 2.59Å
119K94.4Very high92.6Very high157 Ų15748.9 Ų48.968%0.68326%0.261SS*.THydrogen-bonded Turntrans-91.7-27.4-175.8-63.7-176.6178.2179.30114.2T30 N117T30-K119 VanDerWaalsContact CG2-O 3.28Å; T30-K119 WeakPolarHBondContact CG2-O 3.47Å; N117-K119 PolarHBondContact O-N 3.37Å; N117-K119 VanDerWaalsContact O-N 3.13Å; N117-K119 PolarHBondContact OD1-N 3.34Å; N117-K119 VanDerWaalsContact OD1-N 3.08Å
120T94.4Very high92.5Very high68 Ų6847.3 Ų47.342%0.41725%0.252SS..THydrogen-bonded Turntrans-119.4-11.2-168.962.10000114R94 N117 A122R94-T120 PolarHBondContact NH1-O 3.47Å; R94-T120 PolarHBondContact NH2-O 2.84Å; N117-T120 VanDerWaalsContact CB-OG1 3.27Å; N117-T120 WeakPolarHBondContact CB-OG1 3.04Å; N117-T120 PolarHBondContact O-N 3.1Å; N117-T120 PolarHBondContact OD1-N 2.85Å; N117-T120 PolarHBondContact OD1-OG1 3.08Å; T120-A122 PolarHBondContact O-N 2.78Å; T120-A122 WeakPolarHBondContact OG1-CB 3.41Å; T120-A122 PolarHBondContact OG1-N 2.99Å
121C95.3Very high92.2Very high7 Ų745.9 Ų45.95%0.04725%0.247CC..  trans59.718.3-172.5-55.20000113.9C91 R94 N117C91-C121 WeakPolarHBondContact SG-CB 3.37Å; R94-C121 WeakPolarHBondContact CD-O 3.44Å; N117-C121 WeakPolarHBondContact O-CA 3.47Å; N117-C121 PolarHBondContact O-N 2.68Å
122A94.9Very high92.1Very high35 Ų3546 Ų4629%0.28925%0.247SC..  trans-84.2158.4176.700000111.5N117 T120N117-A122 PolarHBondContact N-O 3.17Å; T120-A122 PolarHBondContact O-N 2.78Å; T120-A122 WeakPolarHBondContact OG1-CB 3.41Å; T120-A122 PolarHBondContact OG1-N 2.99Å
123I94.1Very high92Very high87 Ų8745.9 Ų45.945%0.44625%0.247SC..BIsolated β-bridgetrans-62.4144.6167.361.6174.1000110Q95 H113 Y116Q95-I123 HydrophobicContact CG-CG2 4.44Å; H113-I123 HydrophobicContact CB-CG2 4.28Å; Y116-I123 HydrophobicContact CE1-CG2 4.5Å
124V94.1Very high92Very high46 Ų4646 Ų4628%0.27925%0.247SC..  trans-112.2-14.3-174.1-69.40000113.9D41 K115 N117D41-V124 HydrophobicContact CB-CG2 4.5Å; D41-V124 WeakPolarHBondContact OD1-CG1 3.45Å; K115-V124 HydrophobicContact CD-CG2 4.11Å; K115-V124 HydrophobicContact CG-CG2 3.79Å; N117-V124 HydrophobicContact CB-CG1 3.61Å
125V91.5Very high92.1Very high33 Ų3345.9 Ų45.920%0.225%0.246CC..SBendtrans-140.9167.4179.9-68.20000108.9H113 Q129 W130 H132H113-V125 PolarHBondContact CE1-O 2.94Å; V125-Q129 HydrophobicContact CB-CB 4.27Å; V125-W130 HydrophobicContact CG2-CB 4.04Å; V125-H132 WeakPolarHBondContact CG2-CE1 3.39Å; V125-H132 VanDerWaalsContact CG2-NE2 3.25Å; V125-H132 WeakPolarHBondContact CG2-NE2 3.28Å
126G89.3Confident92.2Very high29 Ų2945.7 Ų45.730%0.29925%0.246SC..  trans-79.8162.317400000113.3D128 Q129 H132G126-D128 VanDerWaalsContact C-N 3.28Å; G126-D128 PolarHBondContact O-N 2.84Å; G126-Q129 WeakPolarHBondContact O-CB 3.47Å; G126-Q129 PolarHBondContact O-N 3.45Å; G126-H132 PolarHBondContact O-NE2 3.36Å
127D87.8Confident92.3Very high65 Ų6545.6 Ų45.635%0.34825%0.246SC..THydrogen-bonded Turntrans-56.8-33.7-173.9-69.4-19.7000115K98 H113K98-D127 WeakPolarHBondContact CE-OD1 3.49Å; K98-D127 IonicContact NZ-OD1 3.08Å; K98-D127 PolarHBondContact NZ-OD1 3.25Å; K98-D127 IonicContact NZ-OD2 2.67Å; K98-D127 PolarHBondContact NZ-OD2 3.19Å; K98-D127 VanDerWaalsContact NZ-OD2 3.08Å; H113-D127 IonicContact CD2-OD1 2.65Å; H113-D127 IonicContact CE1-OD1 3.18Å; H113-D127 IonicContact NE2-OD1 3.56Å; H113-D127 PolarHBondContact NE2-OD1 3.09Å
128D85Confident92.3Very high118 Ų11843.7 Ų43.763%0.63124%0.236SC*.THydrogen-bonded Turntrans-972.7-178.5-65-34.2000112.8K109 G126K109-D128 WeakPolarHBondContact CE-OD1 3.35Å; K109-D128 IonicContact NZ-OD2 2.71Å; G126-D128 VanDerWaalsContact C-N 3.28Å; G126-D128 PolarHBondContact O-N 2.84Å
129Q84.9Confident92.5Very high138 Ų13843.1 Ų43.165%0.64523%0.233SC*.SBendtrans-95.2-8.9-172.8-64.8-175.6-26.900114V125 G126V125-Q129 HydrophobicContact CB-CB 4.27Å; G126-Q129 WeakPolarHBondContact O-CB 3.47Å; G126-Q129 PolarHBondContact O-N 3.45Å
130W85.8Confident92.7Very high75 Ų7535.8 Ų35.828%0.28420%0.201SC..SBendtrans-147.7155.8-179.4-161.5-97.2000111.2W43 K115 V125 H132 E185W43-W130 HydrophobicContact CZ2-CH2 4.5Å; W43-W130 AromaticContact CZ2-CZ2 3.97Å; W43-W130 HydrophobicContact CZ2-CZ2 3.97Å; K115-W130 HydrophobicContact CD-CD2 4.37Å; K115-W130 VanDerWaalsContact NZ-CD2 3.33Å; V125-W130 HydrophobicContact CG2-CB 4.04Å; W130-H132 PolarHBondContact O-CD2 2.96Å; W130-H132 PolarHBondContact O-N 3.31Å; W130-E185 WeakPolarHBondContact CZ2-OE2 3.49Å; W130-E185 PolarHBondContact NE1-OE2 3.07Å
131G85.9Confident92.9Very high11 Ų1132.6 Ų32.611%0.11318%0.181CC..  trans-71.368.1172.200000112Q134G131-Q134 WeakPolarHBondContact O-CG 3.3Å; G131-Q134 PolarHBondContact O-NE2 3.14Å; G131-Q134 VanDerWaalsContact O-NE2 3.08Å
132H91.2Very high93Very high4 Ų432.2 Ų32.22%0.01918%0.179CC..  trans-72.6-35.3-172.7-73.6-58.4000113.9L112 H113 A114 V125 G126 W130 Q134L112-H132 VanDerWaalsContact O-O 3.12Å; H113-H132 AromaticContact CE1-CD2 3.94Å; H113-H132 AromaticContact CE1-CE1 3.62Å; H113-H132 AromaticContact CE1-NE2 3.36Å; H113-H132 PolarHBondContact CE1-NE2 2.73Å; H113-H132 AromaticContact CG-CE1 3.62Å; H113-H132 AromaticContact CG-ND1 3.73Å; H113-H132 AromaticContact ND1-CE1 3.19Å; H113-H132 PolarHBondContact ND1-CE1 3.34Å; H113-H132 AromaticContact ND1-ND1 3.79Å; H113-H132 AromaticContact ND1-NE2 3.46Å; H113-H132 PolarHBondContact ND1-NE2 3.36Å; H113-H132 AromaticContact NE2-NE2 3.9Å; A114-H132 PolarHBondContact N-ND1 3.37Å; V125-H132 WeakPolarHBondContact CG2-CE1 3.39Å; V125-H132 VanDerWaalsContact CG2-NE2 3.25Å; V125-H132 WeakPolarHBondContact CG2-NE2 3.28Å; G126-H132 PolarHBondContact O-NE2 3.36Å; W130-H132 PolarHBondContact O-CD2 2.96Å; W130-H132 PolarHBondContact O-N 3.31Å; H132-Q134 VanDerWaalsContact C-N 3.31Å; H132-Q134 PolarHBondContact O-N 2.87Å
133L94.4Very high93.2Very high2 Ų230.6 Ų30.61%0.0117%0.165CC..  trans-66.493.8178.1-178.852.6000109.3F102 T108 S111 V135 V178 A179 D180 Y181F102-L133 HydrophobicContact CE2-CD1 3.65Å; F102-L133 HydrophobicContact CE2-CD2 4.29Å; F102-L133 HydrophobicContact CZ-CD1 3.52Å; F102-L133 HydrophobicContact CZ-CD2 4.47Å; T108-L133 HydrophobicContact CG2-CB 4.27Å; T108-L133 HydrophobicContact CG2-CD2 3.84Å; S111-L133 PolarHBondContact OG-N 2.8Å; L133-V135 HydrophobicContact CD1-CG2 4.08Å; L133-V178 HydrophobicContact CD1-CG1 4.27Å; L133-V178 HydrophobicContact CD2-CG1 4.11Å; L133-A179 VanDerWaalsContact CD2-O 3.29Å; L133-A179 WeakPolarHBondContact CD2-O 3.43Å; L133-D180 HydrophobicContact CD2-CB 4.46Å; L133-D180 HydrophobicContact CG-CB 3.87Å; L133-D180 WeakPolarHBondContact O-CB 3.48Å; L133-Y181 HydrophobicContact CB-CD2 4.1Å; L133-Y181 HydrophobicContact CB-CE2 4.32Å; L133-Y181 PolarHBondContact O-N 3.16Å
134Q95.4Very high93.4Very high5 Ų526.4 Ų26.42%0.02314%0.144CC..  trans-130.792.5-179.8-68.2-178.39.200108.3A114 G131 H132 D136 A137 E185A114-Q134 HydrophobicContact CB-CB 4.45Å; A114-Q134 VanDerWaalsContact CB-CD 3.41Å; A114-Q134 HydrophobicContact CB-CG 4.15Å; A114-Q134 VanDerWaalsContact CB-OE1 3.27Å; G131-Q134 WeakPolarHBondContact O-CG 3.3Å; G131-Q134 PolarHBondContact O-NE2 3.14Å; G131-Q134 VanDerWaalsContact O-NE2 3.08Å; H132-Q134 VanDerWaalsContact C-N 3.31Å; H132-Q134 PolarHBondContact O-N 2.87Å; Q134-D136 VanDerWaalsContact C-N 3.28Å; Q134-D136 PolarHBondContact O-N 2.93Å; Q134-A137 HydrophobicContact CB-CB 4.05Å; Q134-A137 PolarHBondContact O-N 2.86Å; Q134-E185 PolarHBondContact NE2-OE1 3.19Å
135V95.7Very high93.6Very high3 Ų324.2 Ų24.22%0.01813%0.131CC..Hα-helixtrans-70.8-31.3-176.9177.40000110.2L133 A137 S139 I172 A175 V178 D180 A205L133-V135 HydrophobicContact CD1-CG2 4.08Å; V135-A137 PolarHBondContact O-N 2.89Å; V135-S139 VanDerWaalsContact O-CB 3.25Å; V135-S139 WeakPolarHBondContact O-CB 3.42Å; V135-S139 PolarHBondContact O-N 3.05Å; V135-S139 PolarHBondContact O-OG 3.33Å; V135-I172 HydrophobicContact CG1-CB 4.44Å; V135-I172 HydrophobicContact CG1-CG2 4.27Å; V135-A175 HydrophobicContact CG1-CB 3.82Å; V135-V178 HydrophobicContact CG2-CG1 4.01Å; V135-D180 HydrophobicContact CG2-CB 4.15Å; V135-D180 PolarHBondContact N-OD2 3.45Å; V135-A205 HydrophobicContact CG1-CB 4.3Å
136D96.2Very high93.9Very high8 Ų822.7 Ų22.74%0.04312%0.121CC..Hα-helixtrans-57.8-45.3174.267.2-53.9000112.1Q134 T138 S139 L140 M183Q134-D136 VanDerWaalsContact C-N 3.28Å; Q134-D136 PolarHBondContact O-N 2.93Å; D136-T138 PolarHBondContact O-N 3.08Å; D136-S139 PolarHBondContact O-N 3.2Å; D136-L140 VanDerWaalsContact O-CB 3.27Å; D136-L140 WeakPolarHBondContact O-CB 3.4Å; D136-L140 PolarHBondContact O-N 3.18Å; D136-M183 VanDerWaalsContact OD2-CA 3.29Å; D136-M183 WeakPolarHBondContact OD2-CA 3.34Å; D136-M183 WeakPolarHBondContact OD2-CB 3.38Å
137A96.6Very high94.3Very high2 Ų221.3 Ų21.32%0.01711%0.107CC..Hα-helixtrans-64.5-45-176.200000112.6V44 R45 Q134 V135 L140 F141V44-A137 HydrophobicContact CB-CB 4.34Å; V44-A137 HydrophobicContact CG1-CB 4.37Å; R45-A137 HydrophobicContact CB-CB 4.29Å; Q134-A137 HydrophobicContact CB-CB 4.05Å; Q134-A137 PolarHBondContact O-N 2.86Å; V135-A137 PolarHBondContact O-N 2.89Å; A137-L140 PolarHBondContact O-N 2.62Å; A137-F141 PolarHBondContact O-N 2.78Å
138T97.3Very high94.7Very high13 Ų1318.2 Ų18.28%0.089%0.09CC..Hα-helixtrans-66.2-42.4176.3-55.40000110.6L112 D136 L140 F141 L142 L168 Y171 I172L112-T138 HydrophobicContact CD1-CG2 4.41Å; D136-T138 PolarHBondContact O-N 3.08Å; T138-L140 VanDerWaalsContact C-N 3.34Å; T138-L140 PolarHBondContact O-N 2.85Å; T138-F141 PolarHBondContact O-N 3.09Å; T138-L142 HydrophobicContact CG2-CD1 4.5Å; T138-L142 WeakPolarHBondContact O-CG 3.3Å; T138-L142 PolarHBondContact O-N 3.22Å; T138-L142 VanDerWaalsContact O-N 3.13Å; T138-L168 HydrophobicContact CG2-CD2 4.47Å; T138-Y171 HydrophobicContact CG2-CD1 4.4Å; T138-I172 HydrophobicContact CG2-CG2 4.09Å
139S98.2Very high95.3Very high0 Ų012.8 Ų12.80%06%0.062CC..Hα-helixtrans-64.8-38.2178.4-57.80000112.2V135 D136 L142 L143 A205 A208V135-S139 VanDerWaalsContact O-CB 3.25Å; V135-S139 WeakPolarHBondContact O-CB 3.42Å; V135-S139 PolarHBondContact O-N 3.05Å; V135-S139 PolarHBondContact O-OG 3.33Å; D136-S139 PolarHBondContact O-N 3.2Å; S139-L142 PolarHBondContact O-N 3.23Å; S139-L143 WeakPolarHBondContact O-CB 3.42Å; S139-L143 PolarHBondContact O-N 2.85Å; S139-A205 VanDerWaalsContact OG-CA 3.29Å; S139-A205 WeakPolarHBondContact OG-CA 3.46Å; S139-A205 WeakPolarHBondContact OG-CB 3.31Å; S139-A208 VanDerWaalsContact O-CB 3.28Å; S139-A208 WeakPolarHBondContact O-CB 3.38Å
140L98.3Very high95.8Very high3 Ų38.2 Ų8.22%0.0165%0.047CC..Hα-helixtrans-64.4-43.6177.5-175.272.5000111.6R45 V48 Y49 D136 A137 T138 L142 L143 F144 T204 P266R45-L140 HydrophobicContact CB-CD2 4.31Å; R45-L140 HydrophobicContact CG-CD2 3.81Å; V48-L140 HydrophobicContact CB-CD2 4.16Å; V48-L140 HydrophobicContact CB-CG 4.46Å; V48-L140 HydrophobicContact CG1-CD2 4.09Å; V48-L140 HydrophobicContact CG1-CG 3.93Å; Y49-L140 HydrophobicContact CD2-CD2 3.47Å; Y49-L140 VanDerWaalsContact CD2-CD2 3.47Å; Y49-L140 HydrophobicContact CE1-CD1 4.1Å; Y49-L140 HydrophobicContact CE1-CD2 4.34Å; Y49-L140 HydrophobicContact CE2-CD1 4.11Å; Y49-L140 HydrophobicContact CE2-CD2 3.19Å; Y49-L140 HydrophobicContact CE2-CG 4.28Å; Y49-L140 HydrophobicContact CG-CD2 4.16Å; D136-L140 VanDerWaalsContact O-CB 3.27Å; D136-L140 WeakPolarHBondContact O-CB 3.4Å; D136-L140 PolarHBondContact O-N 3.18Å; A137-L140 PolarHBondContact O-N 2.62Å; T138-L140 VanDerWaalsContact C-N 3.34Å; T138-L140 PolarHBondContact O-N 2.85Å; L140-L142 VanDerWaalsContact C-N 3.3Å; L140-L142 PolarHBondContact O-N 3.04Å; L140-L143 PolarHBondContact O-N 3.42Å; L140-F144 HydrophobicContact CD1-CD2 3.81Å; L140-F144 HydrophobicContact CD1-CE2 3.67Å; L140-F144 HydrophobicContact CG-CD2 4.04Å; L140-F144 HydrophobicContact CG-CE2 4.28Å; L140-F144 PolarHBondContact O-N 3.4Å; L140-T204 HydrophobicContact CB-CG2 4.08Å; L140-T204 HydrophobicContact CD1-CG2 4.4Å; L140-P266 HydrophobicContact CD1-CG 4.29Å
141F98.5Very high96.2Very high0 Ų05.6 Ų5.60%04%0.04CC..Hα-helixtrans-56.5-46.9173.4166.3-103.5000110.9V44 V48 M85 V88 L89 I92 A137 T138 F144 L145 I165V44-F141 HydrophobicContact CG1-CB 4.25Å; V48-F141 HydrophobicContact CG2-CB 4.11Å; V48-F141 HydrophobicContact CG2-CD2 4.27Å; M85-F141 HydrophobicContact CE-CD2 3.54Å; M85-F141 HydrophobicContact CE-CE2 3.64Å; M85-F141 WeakPolarHBondContact O-CE2 3.33Å; M85-F141 HydrophobicContact SD-CD2 4.28Å; M85-F141 HydrophobicContact SD-CE2 4.4Å; V88-F141 HydrophobicContact CB-CD2 4.01Å; V88-F141 HydrophobicContact CB-CE2 3.95Å; V88-F141 HydrophobicContact CG1-CD2 3.52Å; V88-F141 HydrophobicContact CG1-CE2 3.81Å; V88-F141 HydrophobicContact CG1-CG 3.96Å; V88-F141 HydrophobicContact CG1-CZ 4.48Å; L89-F141 HydrophobicContact CB-CZ 4.11Å; I92-F141 HydrophobicContact CD1-CD1 4.01Å; I92-F141 HydrophobicContact CD1-CE1 4.03Å; A137-F141 PolarHBondContact O-N 2.78Å; T138-F141 PolarHBondContact O-N 3.09Å; F141-F144 PolarHBondContact O-N 3.4Å; F141-L145 HydrophobicContact CE1-CD2 4.43Å; F141-L145 WeakPolarHBondContact O-CB 3.46Å; F141-L145 PolarHBondContact O-N 2.91Å; F141-I165 HydrophobicContact CE1-CD1 4.25Å
142L98.6Very high96.5Very high0 Ų07.8 Ų7.80%06%0.064CC..Hα-helixtrans-65.1-41.4178.6-72.7178.8000113T138 S139 L140 L145 A146 I165 L168 I172 A208 L212T138-L142 HydrophobicContact CG2-CD1 4.5Å; T138-L142 WeakPolarHBondContact O-CG 3.3Å; T138-L142 PolarHBondContact O-N 3.22Å; T138-L142 VanDerWaalsContact O-N 3.13Å; S139-L142 PolarHBondContact O-N 3.23Å; L140-L142 VanDerWaalsContact C-N 3.3Å; L140-L142 PolarHBondContact O-N 3.04Å; L142-L145 HydrophobicContact CD2-CD2 4.37Å; L142-L145 WeakPolarHBondContact O-CB 3.33Å; L142-L145 PolarHBondContact O-N 2.93Å; L142-A146 PolarHBondContact O-N 3.05Å; L142-I165 HydrophobicContact CD2-CD1 4.2Å; L142-I165 HydrophobicContact CD2-CG2 4.03Å; L142-L168 HydrophobicContact CD1-CB 4.07Å; L142-L168 HydrophobicContact CD2-CB 4.21Å; L142-L168 HydrophobicContact CD2-CD1 4.31Å; L142-I172 HydrophobicContact CD1-CD1 3.7Å; L142-I172 HydrophobicContact CD1-CG1 4.17Å; L142-I172 HydrophobicContact CD1-CG2 4.47Å; L142-A208 HydrophobicContact CB-CB 4Å; L142-L212 HydrophobicContact CB-CD1 3.8Å; L142-L212 HydrophobicContact CD1-CD1 4.26Å; L142-L212 HydrophobicContact CD2-CD1 4.01Å; L142-L212 HydrophobicContact CG-CD1 4.23Å
143L98.4Very high96.7Very high0 Ų08 Ų80%07%0.065CC..Hα-helixtrans-61.4-48176.5175.961.1000111.5S139 L140 A146 Q147 A207 A208 A211 P266 A267S139-L143 WeakPolarHBondContact O-CB 3.42Å; S139-L143 PolarHBondContact O-N 2.85Å; L140-L143 PolarHBondContact O-N 3.42Å; L143-A146 WeakPolarHBondContact O-CB 3.23Å; L143-A146 PolarHBondContact O-N 2.82Å; L143-Q147 PolarHBondContact O-N 3.18Å; L143-A207 HydrophobicContact CD1-CB 4.3Å; L143-A207 HydrophobicContact CD2-CB 4.23Å; L143-A208 HydrophobicContact CB-CB 4.17Å; L143-A211 HydrophobicContact CD1-CB 3.74Å; L143-P266 HydrophobicContact CD2-CB 4.33Å; L143-P266 HydrophobicContact CD2-CG 4.33Å; L143-A267 HydrophobicContact CD2-CB 4.21Å
144F98.5Very high96.7Very high0 Ų012.4 Ų12.40%09%0.085CC..Hα-helixtrans-73.2-32178.4-85.6-71.6000112.7V48 Y49 V52 W55 M85 L140 F141 A146 Q147 M148 P266V48-F144 HydrophobicContact CG1-CB 3.81Å; V48-F144 HydrophobicContact CG1-CD2 3.42Å; V48-F144 VanDerWaalsContact CG1-CD2 3.42Å; V48-F144 HydrophobicContact CG1-CE2 4.25Å; V48-F144 HydrophobicContact CG1-CG 3.86Å; Y49-F144 HydrophobicContact CD1-CE2 4.46Å; Y49-F144 HydrophobicContact CE1-CE2 4.33Å; V52-F144 HydrophobicContact CG1-CE1 4.18Å; V52-F144 HydrophobicContact CG1-CZ 4.43Å; V52-F144 HydrophobicContact CG2-CD1 4.12Å; V52-F144 HydrophobicContact CG2-CE1 3.53Å; V52-F144 HydrophobicContact CG2-CE2 4.05Å; V52-F144 HydrophobicContact CG2-CZ 3.49Å; V52-F144 VanDerWaalsContact CG2-CZ 3.49Å; W55-F144 HydrophobicContact CZ3-CD1 4.27Å; W55-F144 HydrophobicContact CZ3-CE1 4.13Å; M85-F144 HydrophobicContact CE-CB 4.27Å; L140-F144 HydrophobicContact CD1-CD2 3.81Å; L140-F144 HydrophobicContact CD1-CE2 3.67Å; L140-F144 HydrophobicContact CG-CD2 4.04Å; L140-F144 HydrophobicContact CG-CE2 4.28Å; L140-F144 PolarHBondContact O-N 3.4Å; F141-F144 PolarHBondContact O-N 3.4Å; F144-A146 VanDerWaalsContact C-N 3.26Å; F144-A146 PolarHBondContact O-N 3.13Å; F144-Q147 PolarHBondContact O-N 3.47Å; F144-M148 HydrophobicContact CB-CE 4.24Å; F144-M148 HydrophobicContact CD1-CE 4.12Å; F144-M148 HydrophobicContact CG-CE 4.49Å; F144-M148 WeakPolarHBondContact O-CB 3.29Å; F144-M148 WeakPolarHBondContact O-CG 3.38Å; F144-M148 PolarHBondContact O-N 2.54Å; F144-P266 HydrophobicContact CE2-CB 4.08Å; F144-P266 HydrophobicContact CE2-CG 3.96Å; F144-P266 HydrophobicContact CZ-CB 3.74Å; F144-P266 HydrophobicContact CZ-CG 4.06Å
145L98.3Very high96.7Very high0 Ų012.2 Ų12.20%08%0.084CC..Hα-helixtrans-55.6-46.2169.1176.368000110.4M85 F141 L142 T149 I155 I156 I165M85-L145 HydrophobicContact CE-CB 4.3Å; F141-L145 HydrophobicContact CE1-CD2 4.43Å; F141-L145 WeakPolarHBondContact O-CB 3.46Å; F141-L145 PolarHBondContact O-N 2.91Å; L142-L145 HydrophobicContact CD2-CD2 4.37Å; L142-L145 WeakPolarHBondContact O-CB 3.33Å; L142-L145 PolarHBondContact O-N 2.93Å; L145-T149 VanDerWaalsContact O-CB 3.24Å; L145-T149 WeakPolarHBondContact O-CB 3.49Å; L145-T149 PolarHBondContact O-N 3.34Å; L145-T149 PolarHBondContact O-OG1 3.44Å; L145-I155 HydrophobicContact CD1-CB 3.8Å; L145-I155 HydrophobicContact CD1-CD1 3.94Å; L145-I155 HydrophobicContact CD1-CG1 4.47Å; L145-I155 HydrophobicContact CD1-CG2 3.58Å; L145-I156 HydrophobicContact CD1-CD1 4.07Å; L145-I156 HydrophobicContact CD1-CG1 4.13Å; L145-I156 HydrophobicContact CD2-CD1 4.21Å; L145-I156 HydrophobicContact CD2-CG1 4.46Å; L145-I165 HydrophobicContact CD2-CD1 3.57Å; L145-I165 HydrophobicContact CD2-CG1 3.95Å; L145-I165 HydrophobicContact CD2-CG2 4.23Å
146A97.9Very high96.8Very high0 Ų012 Ų120%08%0.083CC..Hα-helixtrans-63.2-51.3177.800000112.2L142 L143 F144 M148 T149 A150 A211 L212 L215 L426L142-A146 PolarHBondContact O-N 3.05Å; L143-A146 WeakPolarHBondContact O-CB 3.23Å; L143-A146 PolarHBondContact O-N 2.82Å; F144-A146 VanDerWaalsContact C-N 3.26Å; F144-A146 PolarHBondContact O-N 3.13Å; A146-M148 PolarHBondContact O-N 2.86Å; A146-T149 PolarHBondContact O-N 3.07Å; A146-A150 WeakPolarHBondContact O-CB 3.48Å; A146-A150 PolarHBondContact O-N 3.18Å; A146-A211 HydrophobicContact CB-CB 3.78Å; A146-L212 HydrophobicContact CB-CD2 3.9Å; A146-L212 HydrophobicContact CB-CG 4.15Å; A146-L215 HydrophobicContact CB-CD2 3.69Å; A146-L426 HydrophobicContact CB-CD1 3.93Å
147Q97.2Very high96.7Very high0 Ų016.4 Ų16.40%010%0.1CC..Hα-helixtrans-61.4-44.6179.2-70.8-173.5-3.700112.5W55 L143 F144 A150 S151 I423 P425 L426W55-Q147 HydrophobicContact CH2-CB 4.08Å; L143-Q147 PolarHBondContact O-N 3.18Å; F144-Q147 PolarHBondContact O-N 3.47Å; Q147-A150 PolarHBondContact O-N 3.17Å; Q147-S151 PolarHBondContact O-N 2.76Å; Q147-I423 PolarHBondContact OE1-O 3.31Å; Q147-P425 HydrophobicContact CB-CG 4.41Å; Q147-P425 VanDerWaalsContact O-CG 3.31Å; Q147-P425 WeakPolarHBondContact O-CG 3.35Å; Q147-L426 HydrophobicContact CG-CD1 4.39Å
148M97.6Very high96.7Very high0 Ų019.1 Ų19.10%012%0.116CC..Hα-helixtrans-65.5-42.1179.1-72.9176.4-174.800111.3I51 W55 V81 M85 F144 A146 S151 G152 L153 I155I51-M148 HydrophobicContact CG2-CE 3.92Å; W55-M148 HydrophobicContact CB-CE 4.22Å; W55-M148 HydrophobicContact CD2-CE 4.22Å; W55-M148 HydrophobicContact CD2-CG 3.99Å; W55-M148 HydrophobicContact CE3-CE 4.18Å; W55-M148 HydrophobicContact CE3-CG 4.41Å; W55-M148 HydrophobicContact CG-CE 4.27Å; W55-M148 HydrophobicContact CG-CG 4.29Å; W55-M148 HydrophobicContact CZ2-CG 4.36Å; V81-M148 HydrophobicContact CG1-CE 3.92Å; V81-M148 HydrophobicContact CG1-SD 3.6Å; V81-M148 VanDerWaalsContact CG1-SD 3.6Å; M85-M148 HydrophobicContact CE-SD 4.23Å; M85-M148 HydrophobicContact CG-SD 3.84Å; M85-M148 HydrophobicContact SD-SD 4.23Å; F144-M148 HydrophobicContact CB-CE 4.24Å; F144-M148 HydrophobicContact CD1-CE 4.12Å; F144-M148 HydrophobicContact CG-CE 4.49Å; F144-M148 WeakPolarHBondContact O-CB 3.29Å; F144-M148 WeakPolarHBondContact O-CG 3.38Å; F144-M148 PolarHBondContact O-N 2.54Å; A146-M148 PolarHBondContact O-N 2.86Å; M148-S151 PolarHBondContact O-N 3.29Å; M148-S151 PolarHBondContact O-OG 2.77Å; M148-G152 PolarHBondContact O-N 3.35Å; M148-L153 HydrophobicContact CB-CB 4.34Å; M148-L153 HydrophobicContact CB-CD1 3.75Å; M148-L153 HydrophobicContact CG-CD1 3.97Å; M148-L153 WeakPolarHBondContact O-CB 3.49Å; M148-L153 PolarHBondContact O-N 2.83Å; M148-L153 HydrophobicContact SD-CD1 4.42Å; M148-I155 HydrophobicContact CB-CD1 3.73Å; M148-I155 HydrophobicContact SD-CD1 4.18Å
149T96.8Very high96.4Very high4 Ų421.6 Ų21.63%0.02513%0.127CC..Hα-helixtrans-63-44.4175.7-56.30000111.3L145 A146 S151 G152 L153L145-T149 VanDerWaalsContact O-CB 3.24Å; L145-T149 WeakPolarHBondContact O-CB 3.49Å; L145-T149 PolarHBondContact O-N 3.34Å; L145-T149 PolarHBondContact O-OG1 3.44Å; A146-T149 PolarHBondContact O-N 3.07Å; T149-S151 PolarHBondContact O-N 3.31Å; T149-G152 PolarHBondContact O-N 3.37Å; T149-L153 WeakPolarHBondContact CA-O 3.41Å
150A95.3Very high96.3Very high42 Ų4223.1 Ų23.135%0.34714%0.135SC..Hα-helixtrans-63-28.8175.200000113A146 Q147 G152 P425 L426A146-A150 WeakPolarHBondContact O-CB 3.48Å; A146-A150 PolarHBondContact O-N 3.18Å; Q147-A150 PolarHBondContact O-N 3.17Å; A150-G152 PolarHBondContact O-N 3.47Å; A150-P425 HydrophobicContact CB-CB 4.16Å; A150-P425 HydrophobicContact CB-CG 3.91Å; A150-L426 HydrophobicContact CB-CD2 3.72Å; A150-L426 HydrophobicContact CB-CG 3.98Å
151S93.9Very high96.3Very high20 Ų2023.5 Ų23.514%0.1414%0.137CC..THydrogen-bonded Turntrans-77.6-1.9173810000114.7W55 R62 Q147 M148 T149W55-S151 PolarHBondContact NE1-OG 3.09Å; R62-S151 PolarHBondContact NH1-O 3.09Å; R62-S151 VanDerWaalsContact NH1-O 3.08Å; Q147-S151 PolarHBondContact O-N 2.76Å; M148-S151 PolarHBondContact O-N 3.29Å; M148-S151 PolarHBondContact O-OG 2.77Å; T149-S151 PolarHBondContact O-N 3.31Å
152G93Very high96.2Very high58 Ų5823.7 Ų23.760%0.59814%0.138SC*.THydrogen-bonded Turntrans97.88.717700000115.6M148 T149 A150M148-G152 PolarHBondContact O-N 3.35Å; T149-G152 PolarHBondContact O-N 3.37Å; A150-G152 PolarHBondContact O-N 3.47Å
153L94.8Very high96Very high8 Ų824.3 Ų24.34%0.04214%0.141CC..  trans-75.9134.6172.8-71.6170000110.7W55 E78 V81 V82 M148 T149 I155W55-L153 HydrophobicContact CG-CD1 4.42Å; E78-L153 HydrophobicContact CB-CD2 3.72Å; E78-L153 HydrophobicContact CG-CD2 3.84Å; V81-L153 HydrophobicContact CG1-CD1 3.96Å; V82-L153 HydrophobicContact CG2-CD2 4.03Å; M148-L153 HydrophobicContact CB-CB 4.34Å; M148-L153 HydrophobicContact CB-CD1 3.75Å; M148-L153 HydrophobicContact CG-CD1 3.97Å; M148-L153 WeakPolarHBondContact O-CB 3.49Å; M148-L153 PolarHBondContact O-N 2.83Å; M148-L153 HydrophobicContact SD-CD1 4.42Å; T149-L153 WeakPolarHBondContact CA-O 3.41Å; L153-I155 HydrophobicContact CB-CD1 4.4Å; L153-I155 HydrophobicContact CB-CG1 4.3Å
154H93.8Very high96Very high95 Ų9524.4 Ų24.444%0.4414%0.142SC..  trans-96.4102.5175.1-169.6-107000109.1I156 Y157H154-I156 PolarHBondContact CE1-O 2.97Å; H154-I156 PolarHBondContact NE2-O 3.42Å; H154-Y157 AromaticContact CE1-CD1 3.28Å; H154-Y157 WeakPolarHBondContact CE1-CD1 3.43Å; H154-Y157 AromaticContact CE1-CE1 3.76Å; H154-Y157 AromaticContact ND1-CD1 3.23Å; H154-Y157 WeakPolarHBondContact ND1-CD1 3.29Å; H154-Y157 AromaticContact ND1-CE1 3.18Å; H154-Y157 WeakPolarHBondContact ND1-CE1 3.38Å; H154-Y157 WeakPolarHBondContact O-CE1 3.44Å
155I96.6Very high96Very high0 Ų024.4 Ų24.40%014%0.142CC..  trans-107.7-42.3-176.5-61.2170000111.6V82 M85 R86 L145 M148 L153V82-I155 HydrophobicContact CG2-CG1 4.26Å; M85-I155 HydrophobicContact CB-CD1 4.19Å; M85-I155 HydrophobicContact CB-CG2 3.94Å; M85-I155 HydrophobicContact CG-CD1 4.26Å; R86-I155 HydrophobicContact CG-CG2 4.12Å; R86-I155 PolarHBondContact NH1-O 2.94Å; L145-I155 HydrophobicContact CD1-CB 3.8Å; L145-I155 HydrophobicContact CD1-CD1 3.94Å; L145-I155 HydrophobicContact CD1-CG1 4.47Å; L145-I155 HydrophobicContact CD1-CG2 3.58Å; M148-I155 HydrophobicContact CB-CD1 3.73Å; M148-I155 HydrophobicContact SD-CD1 4.18Å; L153-I155 HydrophobicContact CB-CD1 4.4Å; L153-I155 HydrophobicContact CB-CG1 4.3Å
156I97.2Very high95.9Very high0 Ų024.6 Ų24.60%014%0.143CC..  trans-92130.5178.4-54.2-56000109.1L89 L145 H154 E161 V162 I165 L217 F218L89-I156 HydrophobicContact CD2-CD1 3.72Å; L145-I156 HydrophobicContact CD1-CD1 4.07Å; L145-I156 HydrophobicContact CD1-CG1 4.13Å; L145-I156 HydrophobicContact CD2-CD1 4.21Å; L145-I156 HydrophobicContact CD2-CG1 4.46Å; H154-I156 PolarHBondContact CE1-O 2.97Å; H154-I156 PolarHBondContact NE2-O 3.42Å; I156-E161 HydrophobicContact CG2-CB 3.69Å; I156-V162 HydrophobicContact CG2-CG2 3.96Å; I156-I165 HydrophobicContact CD1-CD1 4.14Å; I156-I165 HydrophobicContact CD1-CG1 3.9Å; I156-I165 HydrophobicContact CG1-CG1 4.41Å; I156-L217 HydrophobicContact CB-CB 4.22Å; I156-L217 HydrophobicContact CG1-CB 4.2Å; I156-L217 HydrophobicContact CG1-CD1 4.43Å; I156-L217 HydrophobicContact CG2-CB 4.35Å; I156-F218 HydrophobicContact CG2-CD1 4.49Å; I156-F218 HydrophobicContact CG2-CE1 3.99Å; I156-F218 WeakPolarHBondContact O-CD1 3.32Å; I156-F218 WeakPolarHBondContact O-CE1 3.29Å
157Y95Very high95.9Very high99 Ų9924.6 Ų24.639%0.38814%0.143SC..  trans-115.5-25-169.8-64.6-10.8000113.8V82 R86 H154 E161V82-Y157 VanDerWaalsContact CG1-OH 3.31Å; V82-Y157 WeakPolarHBondContact CG1-OH 3.47Å; R86-Y157 VanDerWaalsContact CD-CZ 3.48Å; R86-Y157 WeakPolarHBondContact CD-OH 3.5Å; R86-Y157 VanDerWaalsContact NH1-CD2 3.26Å; H154-Y157 AromaticContact CE1-CD1 3.28Å; H154-Y157 WeakPolarHBondContact CE1-CD1 3.43Å; H154-Y157 AromaticContact CE1-CE1 3.76Å; H154-Y157 AromaticContact ND1-CD1 3.23Å; H154-Y157 WeakPolarHBondContact ND1-CD1 3.29Å; H154-Y157 AromaticContact ND1-CE1 3.18Å; H154-Y157 WeakPolarHBondContact ND1-CE1 3.38Å; H154-Y157 WeakPolarHBondContact O-CE1 3.44Å; Y157-E161 WeakPolarHBondContact CA-OE2 3.4Å; Y157-E161 WeakPolarHBondContact CB-OE2 3.48Å; Y157-E161 PolarHBondContact N-OE2 3.31Å
158T95.3Very high95.9Very high60 Ų6024.6 Ų24.637%0.36814%0.143SC..SBendtrans-129.4156.1-172.967.10000112.2D160 E161 V162T158-D160 PolarHBondContact O-N 3.21Å; T158-E161 PolarHBondContact N-OE2 3.05Å; T158-E161 PolarHBondContact O-N 3.32Å; T158-E161 VanDerWaalsContact OG1-CG 3.29Å; T158-E161 WeakPolarHBondContact OG1-CG 3.4Å; T158-E161 PolarHBondContact OG1-N 3.35Å; T158-E161 PolarHBondContact OG1-OE2 2.89Å; T158-V162 PolarHBondContact O-N 3.01Å; T158-V162 VanDerWaalsContact O-N 3.15Å
159Q92.4Very high95.9Very high64 Ų6424.7 Ų24.730%0.29914%0.143SC..Hα-helixtrans-64.2-28.3174.8-170.660.449.500112.3V162 D163 G225Q159-V162 WeakPolarHBondContact O-CB 3.32Å; Q159-V162 PolarHBondContact O-N 3.43Å; Q159-D163 PolarHBondContact O-N 3.11Å; Q159-D163 VanDerWaalsContact O-N 3.1Å; Q159-G225 PolarHBondContact NE2-O 3.28Å; Q159-G225 PolarHBondContact OE1-O 3.15Å
160D95.4Very high95.9Very high33 Ų3324.7 Ų24.718%0.17614%0.143CC..Hα-helixtrans-65.9-43.1174.1-71-39.3000111.6T158 V162 D163 V164 N489 R491 L492T158-D160 PolarHBondContact O-N 3.21Å; D160-V162 VanDerWaalsContact C-N 3.28Å; D160-V162 PolarHBondContact O-N 3.1Å; D160-D163 PolarHBondContact O-N 3.39Å; D160-V164 WeakPolarHBondContact O-CG2 3.28Å; D160-V164 PolarHBondContact O-N 2.99Å; D160-N489 PolarHBondContact OD1-ND2 3.43Å; D160-R491 IonicContact OD1-CZ 3.61Å; D160-R491 IonicContact OD1-NE 2.72Å; D160-R491 IonicContact OD1-NH2 2.72Å; D160-R491 PolarHBondContact OD1-NH2 3.19Å; D160-R491 IonicContact OD2-CZ 2.71Å; D160-R491 IonicContact OD2-NH1 3.9Å; D160-R491 IonicContact OD2-NH2 3.59Å; D160-R491 PolarHBondContact OD2-NH2 3.38Å; D160-L492 HydrophobicContact CB-CD1 4.03Å
161E96.9Very high95.9Very high11 Ų1122.9 Ų22.95%0.05113%0.127CC..Hα-helixtrans-64.2-33.8174.3-69.9165.8150.600111.3R86 L89 M93 I156 Y157 T158 V164 I165R86-E161 IonicContact CZ-OE1 3.94Å; R86-E161 IonicContact NH1-OE1 3.43Å; R86-E161 PolarHBondContact NH1-OE1 3.15Å; R86-E161 IonicContact NH1-OE2 2.9Å; R86-E161 IonicContact NH2-OE1 2.78Å; R86-E161 PolarHBondContact NH2-OE1 3.22Å; L89-E161 HydrophobicContact CD2-CB 4.43Å; L89-E161 HydrophobicContact CD2-CG 4.12Å; M93-E161 HydrophobicContact CE-CG 4.16Å; M93-E161 HydrophobicContact SD-CG 3.96Å; I156-E161 HydrophobicContact CG2-CB 3.69Å; Y157-E161 WeakPolarHBondContact CA-OE2 3.4Å; Y157-E161 WeakPolarHBondContact CB-OE2 3.48Å; Y157-E161 PolarHBondContact N-OE2 3.31Å; T158-E161 PolarHBondContact N-OE2 3.05Å; T158-E161 PolarHBondContact O-N 3.32Å; T158-E161 VanDerWaalsContact OG1-CG 3.29Å; T158-E161 WeakPolarHBondContact OG1-CG 3.4Å; T158-E161 PolarHBondContact OG1-N 3.35Å; T158-E161 PolarHBondContact OG1-OE2 2.89Å; E161-V164 WeakPolarHBondContact O-CB 3.24Å; E161-V164 PolarHBondContact O-N 2.92Å; E161-I165 WeakPolarHBondContact O-CG1 3.47Å; E161-I165 PolarHBondContact O-N 2.65Å
162V96.6Very high95.9Very high4 Ų421.9 Ų21.92%0.02412%0.12CC..Hα-helixtrans-59.4-48.1171.41730000110.9I156 T158 Q159 D160 V164 I165 Q166 L217 F218 V228I156-V162 HydrophobicContact CG2-CG2 3.96Å; T158-V162 PolarHBondContact O-N 3.01Å; T158-V162 VanDerWaalsContact O-N 3.15Å; Q159-V162 WeakPolarHBondContact O-CB 3.32Å; Q159-V162 PolarHBondContact O-N 3.43Å; D160-V162 VanDerWaalsContact C-N 3.28Å; D160-V162 PolarHBondContact O-N 3.1Å; V162-V164 VanDerWaalsContact C-N 3.26Å; V162-V164 PolarHBondContact O-N 2.67Å; V162-I165 PolarHBondContact O-N 2.55Å; V162-Q166 PolarHBondContact O-N 3.29Å; V162-L217 HydrophobicContact CB-CD1 4.35Å; V162-L217 HydrophobicContact CG1-CD1 4.21Å; V162-L217 HydrophobicContact CG2-CB 4.3Å; V162-L217 HydrophobicContact CG2-CD1 4.19Å; V162-F218 HydrophobicContact CG2-CE1 4.15Å; V162-F218 HydrophobicContact CG2-CZ 4.03Å; V162-V228 HydrophobicContact CG1-CG1 4.02Å
163D96Very high95.8Very high13 Ų1319.3 Ų19.37%0.079%0.093CC..Hα-helixtrans-63.1-34178-65.4-30.7000111.4Q159 D160 Q166 N167 N489 K622Q159-D163 PolarHBondContact O-N 3.11Å; Q159-D163 VanDerWaalsContact O-N 3.1Å; D160-D163 PolarHBondContact O-N 3.39Å; D163-Q166 PolarHBondContact O-N 2.9Å; D163-N167 PolarHBondContact O-N 3.32Å; D163-N167 PolarHBondContact O-ND2 3.47Å; D163-N489 HydrophobicContact CB-CB 3.95Å; D163-N489 PolarHBondContact OD2-ND2 2.94Å; D163-K622 IonicContact OD1-NZ 3.61Å; D163-K622 IonicContact OD2-NZ 3.73Å; D163-K622 PolarHBondContact OD2-NZ 3.33Å
164V97.7Very high95.4Very high1 Ų119.1 Ų19.11%0.0069%0.092CC..Hα-helixtrans-62.8-49.7172.4172.40000110.9L89 M93 L96 D160 E161 V162 Q166 N167 L168 L492 L494L89-V164 HydrophobicContact CD1-CG1 4.3Å; M93-V164 HydrophobicContact CG-CG1 4.2Å; M93-V164 HydrophobicContact CG-CG2 4.43Å; L96-V164 HydrophobicContact CD1-CG2 4.24Å; L96-V164 HydrophobicContact CD2-CG1 3.89Å; L96-V164 HydrophobicContact CD2-CG2 3.92Å; D160-V164 WeakPolarHBondContact O-CG2 3.28Å; D160-V164 PolarHBondContact O-N 2.99Å; E161-V164 WeakPolarHBondContact O-CB 3.24Å; E161-V164 PolarHBondContact O-N 2.92Å; V162-V164 VanDerWaalsContact C-N 3.26Å; V162-V164 PolarHBondContact O-N 2.67Å; V164-Q166 VanDerWaalsContact C-N 3.3Å; V164-Q166 PolarHBondContact O-N 3.25Å; V164-N167 PolarHBondContact O-N 2.95Å; V164-N167 VanDerWaalsContact O-N 3.11Å; V164-L168 HydrophobicContact CG1-CD1 4.29Å; V164-L168 HydrophobicContact CG1-CG 4.48Å; V164-L168 WeakPolarHBondContact O-CG 3.2Å; V164-L168 PolarHBondContact O-N 3.17Å; V164-L492 HydrophobicContact CG2-CD1 3.61Å; V164-L494 HydrophobicContact CG2-CD1 4.17Å
165I98.2Very high95.1Very high0 Ų014.8 Ų14.80%07%0.072CC..Hα-helixtrans-59.8-41.8177.5-62.6-52.5000110.9L89 F141 L142 L145 I156 E161 V162 N167 L168 M169 L212 L217L89-I165 HydrophobicContact CD1-CD1 4Å; F141-I165 HydrophobicContact CE1-CD1 4.25Å; L142-I165 HydrophobicContact CD2-CD1 4.2Å; L142-I165 HydrophobicContact CD2-CG2 4.03Å; L145-I165 HydrophobicContact CD2-CD1 3.57Å; L145-I165 HydrophobicContact CD2-CG1 3.95Å; L145-I165 HydrophobicContact CD2-CG2 4.23Å; I156-I165 HydrophobicContact CD1-CD1 4.14Å; I156-I165 HydrophobicContact CD1-CG1 3.9Å; I156-I165 HydrophobicContact CG1-CG1 4.41Å; E161-I165 WeakPolarHBondContact O-CG1 3.47Å; E161-I165 PolarHBondContact O-N 2.65Å; V162-I165 PolarHBondContact O-N 2.55Å; I165-N167 VanDerWaalsContact C-N 3.31Å; I165-N167 PolarHBondContact O-N 3.25Å; I165-L168 HydrophobicContact CD1-CD1 4.05Å; I165-L168 WeakPolarHBondContact O-CB 3.39Å; I165-L168 PolarHBondContact O-N 2.96Å; I165-L168 VanDerWaalsContact O-N 3.12Å; I165-M169 WeakPolarHBondContact O-CG 3.4Å; I165-M169 PolarHBondContact O-N 3.19Å; I165-L212 HydrophobicContact CG2-CD2 4.43Å; I165-L217 HydrophobicContact CB-CD1 3.69Å; I165-L217 HydrophobicContact CG1-CD1 3.92Å; I165-L217 HydrophobicContact CG2-CD1 3.73Å; I165-L217 HydrophobicContact CG2-CD2 4.4Å
166Q97.2Very high94.6Very high4 Ų415.2 Ų15.22%0.0197%0.074CC..Hα-helixtrans-60.2-38.6175.6-1756274.900112.4V162 D163 V164 M169 F170 V228 H229 L486V162-Q166 PolarHBondContact O-N 3.29Å; D163-Q166 PolarHBondContact O-N 2.9Å; V164-Q166 VanDerWaalsContact C-N 3.3Å; V164-Q166 PolarHBondContact O-N 3.25Å; Q166-M169 WeakPolarHBondContact O-CB 3.41Å; Q166-M169 PolarHBondContact O-N 2.9Å; Q166-F170 HydrophobicContact CG-CE1 4.48Å; Q166-F170 HydrophobicContact CG-CE2 3.98Å; Q166-F170 HydrophobicContact CG-CZ 3.72Å; Q166-F170 VanDerWaalsContact NE2-CE1 3.3Å; Q166-F170 WeakPolarHBondContact O-CD2 3.39Å; Q166-F170 WeakPolarHBondContact O-CG 3.43Å; Q166-F170 PolarHBondContact O-N 3.27Å; Q166-V228 HydrophobicContact CB-CG1 4.25Å; Q166-H229 PolarHBondContact NE2-O 3.12Å; Q166-L486 HydrophobicContact CG-CD1 4.18Å; Q166-L486 HydrophobicContact CG-CD2 4.36Å; Q166-L486 HydrophobicContact CG-CG 3.84Å
167N97.6Very high93.8Very high1 Ų116.3 Ų16.31%0.0058%0.079CC..Hα-helixtrans-73.1-30.3174.8-80-92.9000112.9V99 K103 D163 V164 I165 M169 F170 Y171 G487 L494V99-N167 HydrophobicContact CG1-CB 4.12Å; K103-N167 PolarHBondContact NZ-OD1 2.71Å; D163-N167 PolarHBondContact O-N 3.32Å; D163-N167 PolarHBondContact O-ND2 3.47Å; V164-N167 PolarHBondContact O-N 2.95Å; V164-N167 VanDerWaalsContact O-N 3.11Å; I165-N167 VanDerWaalsContact C-N 3.31Å; I165-N167 PolarHBondContact O-N 3.25Å; N167-M169 VanDerWaalsContact C-N 3.29Å; N167-F170 HydrophobicContact CB-CD2 4.47Å; N167-F170 WeakPolarHBondContact O-CB 3.21Å; N167-F170 PolarHBondContact O-N 3.46Å; N167-Y171 PolarHBondContact O-N 3.33Å; N167-G487 PolarHBondContact ND2-O 3.02Å; N167-L494 HydrophobicContact CB-CD1 4.39Å; N167-L494 HydrophobicContact CB-CD2 4.35Å
168L97.7Very high93.4Very high0 Ų012 Ų120%06%0.063CC..Hα-helixtrans-67.5-30.9170.9-65.8174.2000112I92 V99 L112 T138 L142 V164 I165 F170 Y171 I172I92-L168 HydrophobicContact CD1-CD1 4.17Å; I92-L168 HydrophobicContact CG2-CD1 3.9Å; I92-L168 HydrophobicContact CG2-CD2 3.67Å; I92-L168 HydrophobicContact CG2-CG 4.29Å; V99-L168 HydrophobicContact CG1-CD2 4.23Å; V99-L168 HydrophobicContact CG2-CD2 3.94Å; L112-L168 HydrophobicContact CD1-CD2 3.94Å; T138-L168 HydrophobicContact CG2-CD2 4.47Å; L142-L168 HydrophobicContact CD1-CB 4.07Å; L142-L168 HydrophobicContact CD2-CB 4.21Å; L142-L168 HydrophobicContact CD2-CD1 4.31Å; V164-L168 HydrophobicContact CG1-CD1 4.29Å; V164-L168 HydrophobicContact CG1-CG 4.48Å; V164-L168 WeakPolarHBondContact O-CG 3.2Å; V164-L168 PolarHBondContact O-N 3.17Å; I165-L168 HydrophobicContact CD1-CD1 4.05Å; I165-L168 WeakPolarHBondContact O-CB 3.39Å; I165-L168 PolarHBondContact O-N 2.96Å; I165-L168 VanDerWaalsContact O-N 3.12Å; L168-F170 VanDerWaalsContact C-N 3.34Å; L168-Y171 VanDerWaalsContact O-CB 3.28Å; L168-Y171 WeakPolarHBondContact O-CB 3.4Å; L168-Y171 PolarHBondContact O-N 3.45Å; L168-I172 PolarHBondContact O-N 3.11Å; L168-I172 VanDerWaalsContact O-N 3.17Å
169M97.4Very high93.1Very high1 Ų110.7 Ų10.71%0.0056%0.058CC..Hα-helixtrans-61.9-43.3169.1-66.1172.968.600110.8I165 Q166 N167 Y171 I172 E173 L209 L212 V228 H229 A230I165-M169 WeakPolarHBondContact O-CG 3.4Å; I165-M169 PolarHBondContact O-N 3.19Å; Q166-M169 WeakPolarHBondContact O-CB 3.41Å; Q166-M169 PolarHBondContact O-N 2.9Å; N167-M169 VanDerWaalsContact C-N 3.29Å; M169-Y171 PolarHBondContact O-N 2.84Å; M169-I172 WeakPolarHBondContact O-CG1 3.37Å; M169-I172 PolarHBondContact O-N 3.31Å; M169-I172 VanDerWaalsContact O-N 3.13Å; M169-E173 WeakPolarHBondContact O-CB 3.42Å; M169-E173 PolarHBondContact O-N 3.5Å; M169-L209 HydrophobicContact CB-CD2 4.21Å; M169-L209 HydrophobicContact CE-CD2 4.4Å; M169-L212 HydrophobicContact CE-CB 3.79Å; M169-L212 HydrophobicContact CG-CD1 3.74Å; M169-L212 HydrophobicContact SD-CB 3.9Å; M169-L212 HydrophobicContact SD-CD1 3.97Å; M169-V228 HydrophobicContact CE-CG2 4.5Å; M169-V228 HydrophobicContact SD-CB 3.74Å; M169-V228 HydrophobicContact SD-CG2 3.69Å; M169-H229 VanDerWaalsContact CE-C 3.48Å; M169-H229 WeakPolarHBondContact CE-O 3.39Å; M169-A230 HydrophobicContact CE-CB 3.64Å
170F95.4Very high93.1Very high4 Ų47.7 Ų7.72%0.0184%0.044CC..Hα-helixtrans-66.1-26.6174.9-52.3-34.3000113.6K103 Q166 N167 L168 E173 L486 R497K103-F170 HydrophobicContact CD-CB 3.98Å; K103-F170 HydrophobicContact CD-CD2 4.32Å; K103-F170 HydrophobicContact CG-CB 4.24Å; Q166-F170 HydrophobicContact CG-CE1 4.48Å; Q166-F170 HydrophobicContact CG-CE2 3.98Å; Q166-F170 HydrophobicContact CG-CZ 3.72Å; Q166-F170 VanDerWaalsContact NE2-CE1 3.3Å; Q166-F170 WeakPolarHBondContact O-CD2 3.39Å; Q166-F170 WeakPolarHBondContact O-CG 3.43Å; Q166-F170 PolarHBondContact O-N 3.27Å; N167-F170 HydrophobicContact CB-CD2 4.47Å; N167-F170 WeakPolarHBondContact O-CB 3.21Å; N167-F170 PolarHBondContact O-N 3.46Å; L168-F170 VanDerWaalsContact C-N 3.34Å; F170-E173 WeakPolarHBondContact CD1-OE2 3.48Å; F170-L486 HydrophobicContact CE1-CD2 4.17Å; F170-L486 VanDerWaalsContact CE2-O 3.29Å; F170-L486 WeakPolarHBondContact CE2-O 3.47Å; F170-L486 HydrophobicContact CZ-CB 4.14Å; F170-L486 HydrophobicContact CZ-CD2 3.87Å; F170-L486 HydrophobicContact CZ-CG 3.85Å; F170-R497 HydrophobicContact CD1-CB 4.25Å; F170-R497 HydrophobicContact CD1-CG 3.91Å; F170-R497 HydrophobicContact CD2-CB 4.16Å; F170-R497 HydrophobicContact CE1-CB 3.81Å; F170-R497 HydrophobicContact CE1-CG 3.77Å; F170-R497 HydrophobicContact CE2-CB 3.73Å; F170-R497 HydrophobicContact CE2-CG 4.44Å; F170-R497 VanDerWaalsContact CE2-N 3.34Å; F170-R497 HydrophobicContact CG-CB 4.41Å; F170-R497 HydrophobicContact CG-CG 4.3Å; F170-R497 HydrophobicContact CZ-CB 3.53Å; F170-R497 HydrophobicContact CZ-CG 4.06Å
171Y95Very high93Very high4 Ų47.7 Ų7.72%0.0164%0.042CC..Hα-helixtrans-65.7-40172.8-175.5-80.2000111.1F102 S111 L112 T138 N167 L168 M169F102-Y171 HydrophobicContact CB-CD2 3.82Å; F102-Y171 HydrophobicContact CB-CE2 3.55Å; F102-Y171 HydrophobicContact CD1-CD1 4.25Å; F102-Y171 AromaticContact CD1-CD2 3.32Å; F102-Y171 HydrophobicContact CD1-CD2 3.32Å; F102-Y171 HydrophobicContact CD1-CE1 4.13Å; F102-Y171 AromaticContact CD1-CE2 3.18Å; F102-Y171 HydrophobicContact CD1-CE2 3.18Å; F102-Y171 AromaticContact CD1-CG 3.86Å; F102-Y171 HydrophobicContact CD1-CG 3.86Å; F102-Y171 AromaticContact CD1-CZ 3.61Å; F102-Y171 HydrophobicContact CD2-CE2 4.08Å; F102-Y171 HydrophobicContact CE1-CD1 4.26Å; F102-Y171 HydrophobicContact CE1-CD2 4.12Å; F102-Y171 AromaticContact CE1-CE1 3.99Å; F102-Y171 HydrophobicContact CE1-CE1 3.99Å; F102-Y171 AromaticContact CE1-CE2 3.86Å; F102-Y171 HydrophobicContact CE1-CE2 3.86Å; F102-Y171 HydrophobicContact CE1-CG 4.31Å; F102-Y171 AromaticContact CE1-CZ 3.76Å; F102-Y171 AromaticContact CG-CD2 3.79Å; F102-Y171 HydrophobicContact CG-CD2 3.79Å; F102-Y171 AromaticContact CG-CE2 3.31Å; F102-Y171 HydrophobicContact CG-CE2 3.31Å; F102-Y171 AromaticContact CG-CZ 3.91Å; S111-Y171 WeakPolarHBondContact CA-OH 3.44Å; S111-Y171 WeakPolarHBondContact CB-OH 3.5Å; L112-Y171 HydrophobicContact CD1-CE2 4.23Å; L112-Y171 HydrophobicContact CG-CE2 4Å; L112-Y171 PolarHBondContact N-OH 3.09Å; T138-Y171 HydrophobicContact CG2-CD1 4.4Å; N167-Y171 PolarHBondContact O-N 3.33Å; L168-Y171 VanDerWaalsContact O-CB 3.28Å; L168-Y171 WeakPolarHBondContact O-CB 3.4Å; L168-Y171 PolarHBondContact O-N 3.45Å; M169-Y171 PolarHBondContact O-N 2.84Å
172I95.8Very high92.8Very high0 Ų07.2 Ų7.20%04%0.04CC..Hα-helixtrans-95.9-15.9-177.567.7160000114.8V135 T138 L142 L168 M169 A174 A175 A205 A208 L209V135-I172 HydrophobicContact CG1-CB 4.44Å; V135-I172 HydrophobicContact CG1-CG2 4.27Å; T138-I172 HydrophobicContact CG2-CG2 4.09Å; L142-I172 HydrophobicContact CD1-CD1 3.7Å; L142-I172 HydrophobicContact CD1-CG1 4.17Å; L142-I172 HydrophobicContact CD1-CG2 4.47Å; L168-I172 PolarHBondContact O-N 3.11Å; L168-I172 VanDerWaalsContact O-N 3.17Å; M169-I172 WeakPolarHBondContact O-CG1 3.37Å; M169-I172 PolarHBondContact O-N 3.31Å; M169-I172 VanDerWaalsContact O-N 3.13Å; I172-A174 PolarHBondContact O-N 3.43Å; I172-A175 VanDerWaalsContact O-CB 3.27Å; I172-A175 WeakPolarHBondContact O-CB 3.49Å; I172-A175 PolarHBondContact O-N 3.5Å; I172-A205 HydrophobicContact CB-CB 4.34Å; I172-A205 HydrophobicContact CD1-CB 4.43Å; I172-A208 HydrophobicContact CD1-CB 3.79Å; I172-L209 HydrophobicContact CD1-CD2 4.03Å; I172-L209 HydrophobicContact CD1-CG 3.92Å; I172-L209 HydrophobicContact CG1-CD2 3.98Å; I172-L209 HydrophobicContact CG1-CG 4.23Å
173E90.9Very high92.5Very high4 Ų47.4 Ų7.42%0.0194%0.041CC..THydrogen-bonded Turntrans-60.1-24.3-176.877.1-178.2-165.700113.3M169 F170 Y176 L209 D234 R497 R500M169-E173 WeakPolarHBondContact O-CB 3.42Å; M169-E173 PolarHBondContact O-N 3.5Å; F170-E173 WeakPolarHBondContact CD1-OE2 3.48Å; E173-Y176 WeakPolarHBondContact O-CE1 3.22Å; E173-L209 HydrophobicContact CB-CD1 4.46Å; E173-L209 HydrophobicContact CB-CD2 4.38Å; E173-D234 HydrophobicContact CB-CB 4.26Å; E173-R497 IonicContact OE1-NE 2.98Å; E173-R497 IonicContact OE2-NE 3.7Å; E173-R500 VanDerWaalsContact CG-NH1 3.33Å; E173-R500 IonicContact OE1-CZ 2.69Å; E173-R500 IonicContact OE1-NE 3.9Å; E173-R500 IonicContact OE1-NH1 3.54Å; E173-R500 PolarHBondContact OE1-NH1 2.88Å
174A84.6Confident92.4Very high3 Ų37.8 Ų7.83%0.0254%0.041CC..THydrogen-bonded Turntrans-91.112.2177.200000114.2I172 Y176 K177 V178I172-A174 PolarHBondContact O-N 3.43Å; A174-Y176 PolarHBondContact O-N 3.01Å; A174-K177 HydrophobicContact CB-CD 4.36Å; A174-K177 HydrophobicContact CB-CG 4.01Å; A174-K177 WeakPolarHBondContact O-CG 3.41Å; A174-K177 PolarHBondContact O-N 3.2Å; A174-V178 HydrophobicContact CB-CG2 4.19Å; A174-V178 WeakPolarHBondContact O-CG2 3.4Å; A174-V178 PolarHBondContact O-N 2.92Å
175A89.2Confident92Very high4 Ų49.3 Ų9.33%0.0335%0.049CC..G310 helixtrans-53-34.2-175.100000113.8V135 I172 K177 V178 A205V135-A175 HydrophobicContact CG1-CB 3.82Å; I172-A175 VanDerWaalsContact O-CB 3.27Å; I172-A175 WeakPolarHBondContact O-CB 3.49Å; I172-A175 PolarHBondContact O-N 3.5Å; A175-K177 PolarHBondContact O-N 3.43Å; A175-K177 VanDerWaalsContact O-N 3.08Å; A175-V178 PolarHBondContact O-N 3.4Å; A175-A205 HydrophobicContact CB-CB 3.47Å; A175-A205 VanDerWaalsContact CB-CB 3.47Å
176Y84.2Confident91.4Very high10 Ų1010.2 Ų10.24%0.0395%0.052CC..G310 helixtrans-63.4-12.7178.368.6-89.3000114.8E173 A174 H237E173-Y176 WeakPolarHBondContact O-CE1 3.22Å; A174-Y176 PolarHBondContact O-N 3.01Å; Y176-H237 HydrophobicContact CD1-CB 3.89Å; Y176-H237 HydrophobicContact CD2-CB 4.04Å; Y176-H237 HydrophobicContact CE1-CB 3.94Å; Y176-H237 HydrophobicContact CE2-CB 4.05Å; Y176-H237 HydrophobicContact CG-CB 3.96Å
177K82.3Confident90.9Very high23 Ų2310.1 Ų10.110%0.15%0.052CC..G310 helixtrans-127.26.3-179.858.3-179.4172.7-153.50113.9A174 A175 P868A174-K177 HydrophobicContact CB-CD 4.36Å; A174-K177 HydrophobicContact CB-CG 4.01Å; A174-K177 WeakPolarHBondContact O-CG 3.41Å; A174-K177 PolarHBondContact O-N 3.2Å; A175-K177 PolarHBondContact O-N 3.43Å; A175-K177 VanDerWaalsContact O-N 3.08Å; K177-P868 HydrophobicContact CB-CB 4.03Å; K177-P868 HydrophobicContact CB-CG 3.72Å
178V86.4Confident90.5Very high8 Ų810.1 Ų10.15%0.0485%0.052CC..  trans-108.2110.4-179.2173.10000108.8F102 R106 L133 V135 A174 A175 I197F102-V178 HydrophobicContact CZ-CG1 3.93Å; R106-V178 HydrophobicContact CB-CG2 4.23Å; R106-V178 HydrophobicContact CG-CG2 4.28Å; L133-V178 HydrophobicContact CD1-CG1 4.27Å; L133-V178 HydrophobicContact CD2-CG1 4.11Å; V135-V178 HydrophobicContact CG2-CG1 4.01Å; A174-V178 HydrophobicContact CB-CG2 4.19Å; A174-V178 WeakPolarHBondContact O-CG2 3.4Å; A174-V178 PolarHBondContact O-N 2.92Å; A175-V178 PolarHBondContact O-N 3.4Å; V178-I197 VanDerWaalsContact C-CD1 3.47Å; V178-I197 WeakPolarHBondContact O-CD1 3.35Å
179A88.4Confident90.1Very high32 Ų3210.4 Ų10.426%0.2645%0.053SC..  trans-73.1131.7170.200000109.1L133 E196 I197L133-A179 VanDerWaalsContact CD2-O 3.29Å; L133-A179 WeakPolarHBondContact CD2-O 3.43Å; A179-E196 CarbonylContact C-O 3.6Å; A179-E196 WeakPolarHBondContact CA-O 3.41Å; A179-I197 HydrophobicContact CB-CD1 4.24Å
180D92.9Very high89.5Confident1 Ų110.7 Ų10.71%0.0056%0.055CC..BIsolated β-bridgetrans-133.4178.2-175.380.4-13000111.5L133 V135 G182 T195 E196 N198 S201L133-D180 HydrophobicContact CD2-CB 4.46Å; L133-D180 HydrophobicContact CG-CB 3.87Å; L133-D180 WeakPolarHBondContact O-CB 3.48Å; V135-D180 HydrophobicContact CG2-CB 4.15Å; V135-D180 PolarHBondContact N-OD2 3.45Å; D180-G182 PolarHBondContact O-N 3.38Å; D180-G182 WeakPolarHBondContact OD1-CA 3.43Å; D180-G182 PolarHBondContact OD1-N 2.95Å; D180-T195 WeakPolarHBondContact O-CA 3.32Å; D180-E196 PolarHBondContact N-O 2.92Å; D180-E196 PolarHBondContact O-N 3.48Å; D180-N198 PolarHBondContact O-ND2 3.3Å; D180-N198 PolarHBondContact OD1-ND2 3.43Å; D180-S201 PolarHBondContact OD1-OG 3.25Å; D180-S201 VanDerWaalsContact OD2-CB 3.25Å; D180-S201 WeakPolarHBondContact OD2-CB 3.24Å; D180-S201 PolarHBondContact OD2-OG 3.08Å
181Y93.4Very high89Confident33 Ų3311.5 Ų11.513%0.1296%0.059CC..  trans-80.1-3.3177.3-69.1-72.2000113T108 L133 E185 R186 G187 G193 T195T108-Y181 HydrophobicContact CG2-CE2 4.06Å; L133-Y181 HydrophobicContact CB-CD2 4.1Å; L133-Y181 HydrophobicContact CB-CE2 4.32Å; L133-Y181 PolarHBondContact O-N 3.16Å; Y181-E185 PolarHBondContact O-N 3.21Å; Y181-R186 PolarHBondContact O-N 3.31Å; Y181-G187 PolarHBondContact O-N 3.02Å; Y181-G193 WeakPolarHBondContact CE1-O 3.47Å; Y181-G193 PolarHBondContact OH-O 3.34Å; Y181-T195 HydrophobicContact CD1-CG2 4.19Å; Y181-T195 HydrophobicContact CD2-CG2 4.12Å; Y181-T195 HydrophobicContact CE1-CG2 3.86Å; Y181-T195 HydrophobicContact CE2-CG2 3.81Å; Y181-T195 HydrophobicContact CG-CG2 4.3Å
182G91.6Very high88.5Confident2 Ų216.4 Ų16.42%0.0218%0.082CC..THydrogen-bonded Turntrans58-177.4-17400000112.7D180 W184 E185 N198D180-G182 PolarHBondContact O-N 3.38Å; D180-G182 WeakPolarHBondContact OD1-CA 3.43Å; D180-G182 PolarHBondContact OD1-N 2.95Å; G182-W184 PolarHBondContact O-N 2.87Å; G182-W184 VanDerWaalsContact O-N 3.15Å; G182-E185 PolarHBondContact O-N 3.12Å; G182-E185 VanDerWaalsContact O-N 3.08Å; G182-N198 WeakPolarHBondContact CA-ND2 3.3Å; G182-N198 PolarHBondContact N-ND2 3.29Å
183M91.7Very high87.9Confident8 Ų818.1 Ų18.14%0.03910%0.1CC..THydrogen-bonded Turntrans-62.6-27.3-177.281.8-172-7300112R45 D136 E185 G258 W402R45-M183 PolarHBondContact NH1-O 2.85Å; R45-M183 PolarHBondContact NH2-O 3.44Å; D136-M183 VanDerWaalsContact OD2-CA 3.29Å; D136-M183 WeakPolarHBondContact OD2-CA 3.34Å; D136-M183 WeakPolarHBondContact OD2-CB 3.38Å; M183-E185 PolarHBondContact O-N 3.37Å; M183-G258 WeakPolarHBondContact SD-CA 3.39Å; M183-W402 HydrophobicContact CE-CH2 3.61Å; M183-W402 HydrophobicContact CE-CZ2 4.25Å
184W92.6Very high87.8Confident21 Ų2122 Ų228%0.0812%0.12CC..THydrogen-bonded Turntrans-85.43.8-179.6-52.6123.2000114.3G182 R186 D256 R295 F296 F331G182-W184 PolarHBondContact O-N 2.87Å; G182-W184 VanDerWaalsContact O-N 3.15Å; W184-R186 WeakPolarHBondContact O-CG 3.41Å; W184-R186 PolarHBondContact O-N 3.13Å; W184-D256 PolarHBondContact NE1-OD1 3.19Å; W184-D256 PolarHBondContact NE1-OD2 3.47Å; W184-D256 VanDerWaalsContact NE1-OD2 3.09Å; W184-R295 HydrophobicContact CD2-CG 4.45Å; W184-R295 HydrophobicContact CH2-CG 4.1Å; W184-R295 HydrophobicContact CZ2-CB 4.13Å; W184-R295 HydrophobicContact CZ2-CG 3.98Å; W184-R295 HydrophobicContact CZ3-CG 4.39Å; W184-F296 HydrophobicContact CB-CE1 4.49Å; W184-F296 AromaticContact CD1-CD1 3.84Å; W184-F296 AromaticContact CD1-CE1 3.7Å; W184-F296 HydrophobicContact CG-CE1 4.21Å; W184-F331 HydrophobicContact CH2-CE1 4.3Å; W184-F331 AromaticContact CH2-CZ 3.77Å; W184-F331 HydrophobicContact CH2-CZ 3.77Å; W184-F331 HydrophobicContact CZ2-CE1 4.22Å; W184-F331 AromaticContact CZ2-CZ 3.71Å; W184-F331 HydrophobicContact CZ2-CZ 3.71Å
185E90.3Very high88Confident33 Ų3323.9 Ų23.915%0.15413%0.131CC..THydrogen-bonded Turntrans62.626.8176.8-30-161.8143.600113.3W43 R45 W130 Q134 Y181 G182 M183W43-E185 PolarHBondContact NE1-OE1 3.29Å; W43-E185 VanDerWaalsContact NE1-OE1 3.07Å; W43-E185 PolarHBondContact NE1-OE2 2.8Å; R45-E185 IonicContact NH2-OE1 3.71Å; W130-E185 WeakPolarHBondContact CZ2-OE2 3.49Å; W130-E185 PolarHBondContact NE1-OE2 3.07Å; Q134-E185 PolarHBondContact NE2-OE1 3.19Å; Y181-E185 PolarHBondContact O-N 3.21Å; G182-E185 PolarHBondContact O-N 3.12Å; G182-E185 VanDerWaalsContact O-N 3.08Å; M183-E185 PolarHBondContact O-N 3.37Å
186R85.7Confident88Confident19 Ų1924 Ų247%0.07213%0.131CC..  trans-120-28.1-170.9-73.1173.3171.6-111.33.7114.5Y181 W184 D188 N191 H301 E306 Y313Y181-R186 PolarHBondContact O-N 3.31Å; W184-R186 WeakPolarHBondContact O-CG 3.41Å; W184-R186 PolarHBondContact O-N 3.13Å; R186-D188 PolarHBondContact O-N 3.33Å; R186-N191 VanDerWaalsContact CA-OD1 3.26Å; R186-N191 WeakPolarHBondContact CA-OD1 3.46Å; R186-N191 HydrophobicContact CB-CB 4.11Å; R186-N191 HydrophobicContact CG-CB 3.98Å; R186-N191 PolarHBondContact O-OD1 3.36Å; R186-H301 PolarHBondContact NH2-ND1 3.31Å; R186-E306 IonicContact NH2-OE1 3.9Å; R186-Y313 VanDerWaalsContact CZ-OH 3.28Å; R186-Y313 PolarHBondContact NH1-OH 3.47Å; R186-Y313 PolarHBondContact NH2-OH 3.45Å
187G86.8Confident88.2Confident1 Ų125.2 Ų25.21%0.0114%0.138CC..SBendtrans67.2-116.1-168.200000109Y181 I194 K253Y181-G187 PolarHBondContact O-N 3.02Å; G187-I194 CarbonylContact C-O 3.55Å; G187-I194 VanDerWaalsContact CA-O 3.31Å; G187-I194 WeakPolarHBondContact CA-O 3.38Å; G187-K253 WeakPolarHBondContact O-CE 3.22Å; G187-K253 PolarHBondContact O-NZ 3.06Å
188D88.6Confident88.7Confident1 Ų124.5 Ų24.51%0.00514%0.135CC..SBendtrans-65.1159.2176.195.9-60000113.4R186 T190 N191 Q192 I194 E196 K1103R186-D188 PolarHBondContact O-N 3.33Å; D188-T190 PolarHBondContact O-N 2.82Å; D188-T190 VanDerWaalsContact O-N 3.15Å; D188-T190 PolarHBondContact OD1-OG1 3.29Å; D188-T190 VanDerWaalsContact OD1-OG1 3.1Å; D188-T190 WeakPolarHBondContact OD2-CB 3.4Å; D188-T190 PolarHBondContact OD2-N 2.89Å; D188-T190 PolarHBondContact OD2-OG1 2.93Å; D188-N191 PolarHBondContact O-N 3.22Å; D188-N191 PolarHBondContact OD1-N 3.41Å; D188-Q192 PolarHBondContact OD1-N 3.04Å; D188-I194 HydrophobicContact CB-CB 4.17Å; D188-I194 HydrophobicContact CB-CG2 4.44Å; D188-I194 PolarHBondContact N-O 3.44Å; D188-E196 HydrophobicContact CB-CG 4.09Å; D188-E196 VanDerWaalsContact CB-OE1 3.31Å; D188-E196 WeakPolarHBondContact CB-OE1 3.35Å; D188-K1103 IonicContact OD2-NZ 3.22Å; D188-K1103 PolarHBondContact OD2-NZ 3.06Å
189K88.1Confident89Confident6 Ų624.1 Ų24.13%0.02613%0.133CC..THydrogen-bonded Turntrans-57.4-28.7-179.3-77-171.4173.1174.90114.6N191 S252 K253 F296 L297 L318 E1101K189-N191 VanDerWaalsContact C-N 3.26Å; K189-N191 PolarHBondContact O-N 3.23Å; K189-S252 WeakPolarHBondContact CD-O 3.33Å; K189-S252 WeakPolarHBondContact CE-O 3.49Å; K189-S252 PolarHBondContact N-OG 2.96Å; K189-S252 PolarHBondContact NZ-O 3.42Å; K189-K253 HydrophobicContact CD-CG 4.35Å; K189-K253 HydrophobicContact CG-CG 3.8Å; K189-F296 HydrophobicContact CD-CD2 4.33Å; K189-F296 HydrophobicContact CD-CE2 4.46Å; K189-F296 HydrophobicContact CG-CD2 4.21Å; K189-F296 HydrophobicContact CG-CE2 4Å; K189-L297 WeakPolarHBondContact CE-O 3.34Å; K189-L297 PolarHBondContact NZ-O 3.49Å; K189-L297 VanDerWaalsContact NZ-O 3.11Å; K189-L318 HydrophobicContact CB-CD1 4.42Å; K189-E1101 IonicContact NZ-OE1 3.81Å; K189-E1101 PolarHBondContact NZ-OE1 3.24Å
190T85.7Confident89.3Confident7 Ų723.1 Ų23.14%0.04312%0.124CC..THydrogen-bonded Turntrans-77.9-13.5-179.670.50000112.8D188 Q192 Y312 Y313 L318D188-T190 PolarHBondContact O-N 2.82Å; D188-T190 VanDerWaalsContact O-N 3.15Å; D188-T190 PolarHBondContact OD1-OG1 3.29Å; D188-T190 VanDerWaalsContact OD1-OG1 3.1Å; D188-T190 WeakPolarHBondContact OD2-CB 3.4Å; D188-T190 PolarHBondContact OD2-N 2.89Å; D188-T190 PolarHBondContact OD2-OG1 2.93Å; T190-Q192 VanDerWaalsContact C-N 3.25Å; T190-Q192 PolarHBondContact O-N 3.01Å; T190-Q192 VanDerWaalsContact OG1-CG 3.28Å; T190-Q192 WeakPolarHBondContact OG1-CG 3.32Å; T190-Y312 WeakPolarHBondContact O-CA 3.37Å; T190-Y313 PolarHBondContact O-N 3.19Å; T190-L318 HydrophobicContact CG2-CD1 4.05Å
191N85.1Confident89.5Confident22 Ų2223.2 Ų23.212%0.11813%0.125CC..  trans54.440-176.8-166.928.2000112.9R186 D188 K189 G193 L311 Y312R186-N191 VanDerWaalsContact CA-OD1 3.26Å; R186-N191 WeakPolarHBondContact CA-OD1 3.46Å; R186-N191 HydrophobicContact CB-CB 4.11Å; R186-N191 HydrophobicContact CG-CB 3.98Å; R186-N191 PolarHBondContact O-OD1 3.36Å; D188-N191 PolarHBondContact O-N 3.22Å; D188-N191 PolarHBondContact OD1-N 3.41Å; K189-N191 VanDerWaalsContact C-N 3.26Å; K189-N191 PolarHBondContact O-N 3.23Å; N191-G193 PolarHBondContact O-N 3.5Å; N191-L311 PolarHBondContact ND2-O 3.09Å; N191-Y312 WeakPolarHBondContact O-CB 3.46Å
192Q84.9Confident89.6Confident106 Ų10621.7 Ų21.750%0.49512%0.119SC..SBendtrans-85.413.4177.4-73.1179.23.900112.9D188 T190 I194D188-Q192 PolarHBondContact OD1-N 3.04Å; T190-Q192 VanDerWaalsContact C-N 3.25Å; T190-Q192 PolarHBondContact O-N 3.01Å; T190-Q192 VanDerWaalsContact OG1-CG 3.28Å; T190-Q192 WeakPolarHBondContact OG1-CG 3.32Å; Q192-I194 HydrophobicContact CB-CD1 4.26Å; Q192-I194 HydrophobicContact CB-CG1 4.32Å
193G83.3Confident89.8Confident37 Ų3721.6 Ų21.638%0.38112%0.118SC..SBendtrans8311.7-175.100000113.9Y181 N191Y181-G193 WeakPolarHBondContact CE1-O 3.47Å; Y181-G193 PolarHBondContact OH-O 3.34Å; N191-G193 PolarHBondContact O-N 3.5Å
194I87.3Confident90.1Very high86 Ų8621.7 Ų21.744%0.44112%0.119SC..  trans-86.2115.9179.9-56.9171.6000109.1G187 D188 Q192G187-I194 CarbonylContact C-O 3.55Å; G187-I194 VanDerWaalsContact CA-O 3.31Å; G187-I194 WeakPolarHBondContact CA-O 3.38Å; D188-I194 HydrophobicContact CB-CB 4.17Å; D188-I194 HydrophobicContact CB-CG2 4.44Å; D188-I194 PolarHBondContact N-O 3.44Å; Q192-I194 HydrophobicContact CB-CD1 4.26Å; Q192-I194 HydrophobicContact CB-CG1 4.32Å
195T89.5Confident90.4Very high41 Ų4120.7 Ų20.725%0.25212%0.115SC..  trans-75.3148.5176.553.10000112.1T108 D180 Y181T108-T195 HydrophobicContact CG2-CG2 3.79Å; D180-T195 WeakPolarHBondContact O-CA 3.32Å; Y181-T195 HydrophobicContact CD1-CG2 4.19Å; Y181-T195 HydrophobicContact CD2-CG2 4.12Å; Y181-T195 HydrophobicContact CE1-CG2 3.86Å; Y181-T195 HydrophobicContact CE2-CG2 3.81Å; Y181-T195 HydrophobicContact CG-CG2 4.3Å
196E88.6Confident90.7Very high7 Ų719.1 Ų19.13%0.03311%0.108CC..BIsolated β-bridgetrans-133.3159.7176.9-65.4-174.3154.600111A179 D180 D188 N198 S250 I251 S252 K253A179-E196 CarbonylContact C-O 3.6Å; A179-E196 WeakPolarHBondContact CA-O 3.41Å; D180-E196 PolarHBondContact N-O 2.92Å; D180-E196 PolarHBondContact O-N 3.48Å; D188-E196 HydrophobicContact CB-CG 4.09Å; D188-E196 VanDerWaalsContact CB-OE1 3.31Å; D188-E196 WeakPolarHBondContact CB-OE1 3.35Å; E196-N198 PolarHBondContact O-N 3.47Å; E196-N198 PolarHBondContact O-ND2 2.92Å; E196-S250 WeakPolarHBondContact OE2-CB 3.22Å; E196-S250 PolarHBondContact OE2-OG 3.17Å; E196-I251 VanDerWaalsContact CD-CG1 3.48Å; E196-I251 HydrophobicContact CG-CD1 4.24Å; E196-I251 HydrophobicContact CG-CG1 4.04Å; E196-I251 WeakPolarHBondContact OE1-CG1 3.47Å; E196-S252 WeakPolarHBondContact OE1-CB 3.29Å; E196-S252 PolarHBondContact OE1-OG 3.5Å; E196-S252 PolarHBondContact OE2-OG 3.26Å; E196-K253 IonicContact OE2-NZ 3Å; E196-K253 PolarHBondContact OE2-NZ 3.42Å
197I88.6Confident91.2Very high36 Ų3618.2 Ų18.219%0.18510%0.104CC..  trans-72113.4167.4-59.8-68.6000107.7V178 A179 I202 M245 S250V178-I197 VanDerWaalsContact C-CD1 3.47Å; V178-I197 WeakPolarHBondContact O-CD1 3.35Å; A179-I197 HydrophobicContact CB-CD1 4.24Å; I197-I202 HydrophobicContact CG2-CD1 3.38Å; I197-I202 HydrophobicContact CG2-CG1 4.44Å; I197-M245 HydrophobicContact CG2-CE 4.01Å; I197-M245 HydrophobicContact CG2-SD 3.84Å; I197-M245 WeakPolarHBondContact O-CE 3.32Å; I197-S250 WeakPolarHBondContact O-CB 3.4Å
198N92.4Very high91.8Very high7 Ų718.1 Ų18.14%0.03710%0.104CC..  trans-103.9127.3-179.4-67.7-74.4000111.3D180 G182 E196 S200 S201 I202 K253D180-N198 PolarHBondContact O-ND2 3.3Å; D180-N198 PolarHBondContact OD1-ND2 3.43Å; G182-N198 WeakPolarHBondContact CA-ND2 3.3Å; G182-N198 PolarHBondContact N-ND2 3.29Å; E196-N198 PolarHBondContact O-N 3.47Å; E196-N198 PolarHBondContact O-ND2 2.92Å; N198-S200 VanDerWaalsContact C-N 3.3Å; N198-S200 PolarHBondContact O-N 2.95Å; N198-S201 PolarHBondContact O-N 3.42Å; N198-I202 PolarHBondContact O-N 3.3Å; N198-I202 VanDerWaalsContact O-N 3.17Å; N198-K253 PolarHBondContact OD1-NZ 2.68Å
199A94.3Very high92.2Very high1 Ų118.2 Ų18.21%0.00810%0.104CC..Hα-helixtrans-60.2-38.9-179.800000112.2S201 I202 G203 L242 M245 L246 A249 V259 I262A199-S201 PolarHBondContact O-N 3.48Å; A199-I202 PolarHBondContact O-N 3.45Å; A199-G203 PolarHBondContact O-N 2.93Å; A199-L242 HydrophobicContact CB-CD1 4.12Å; A199-M245 HydrophobicContact CB-CE 4.19Å; A199-L246 HydrophobicContact CB-CD2 4.19Å; A199-A249 WeakPolarHBondContact CB-O 3.23Å; A199-A249 PolarHBondContact N-O 2.73Å; A199-V259 HydrophobicContact CB-CG2 4.4Å; A199-I262 WeakPolarHBondContact O-CD1 3.23Å
200S95Very high92.5Very high10 Ų1020.8 Ų20.87%0.0712%0.116CC..Hα-helixtrans-59.2-46176.850.10000111.8N198 G203 T204 I262N198-S200 VanDerWaalsContact C-N 3.3Å; N198-S200 PolarHBondContact O-N 2.95Å; S200-G203 PolarHBondContact O-N 3.27Å; S200-T204 PolarHBondContact O-N 2.55Å; S200-T204 PolarHBondContact O-OG1 3.03Å; S200-I262 WeakPolarHBondContact O-CG2 3.44Å
201S95.9Very high93Very high4 Ų420.7 Ų20.73%0.02812%0.117CC..Hα-helixtrans-61.4-45.9176.1-58.30000112.8D180 N198 A199 A205D180-S201 PolarHBondContact OD1-OG 3.25Å; D180-S201 VanDerWaalsContact OD2-CB 3.25Å; D180-S201 WeakPolarHBondContact OD2-CB 3.24Å; D180-S201 PolarHBondContact OD2-OG 3.08Å; N198-S201 PolarHBondContact O-N 3.42Å; A199-S201 PolarHBondContact O-N 3.48Å; S201-A205 VanDerWaalsContact O-CB 3.26Å; S201-A205 WeakPolarHBondContact O-CB 3.29Å; S201-A205 PolarHBondContact O-N 3.22Å
202I95.6Very high93.6Very high1 Ų119.7 Ų19.71%0.00511%0.111CC..Hα-helixtrans-63-46.1177.2-65.3168.3000110.9I197 N198 A199 A205 K206 C238 I241 L242 M245I197-I202 HydrophobicContact CG2-CD1 3.38Å; I197-I202 HydrophobicContact CG2-CG1 4.44Å; N198-I202 PolarHBondContact O-N 3.3Å; N198-I202 VanDerWaalsContact O-N 3.17Å; A199-I202 PolarHBondContact O-N 3.45Å; I202-A205 PolarHBondContact O-N 3.42Å; I202-K206 WeakPolarHBondContact O-CB 3.26Å; I202-K206 PolarHBondContact O-N 3.15Å; I202-C238 HydrophobicContact CG2-CB 3.89Å; I202-I241 HydrophobicContact CD1-CG2 3.89Å; I202-L242 HydrophobicContact CG2-CB 4.36Å; I202-M245 HydrophobicContact CD1-SD 3.83Å
203G96.6Very high94Very high0 Ų017 Ų170%010%0.1CC..Hα-helixtrans-64-43.2-178.400000112.5A199 S200 A207 A269A199-G203 PolarHBondContact O-N 2.93Å; S200-G203 PolarHBondContact O-N 3.27Å; G203-A207 WeakPolarHBondContact O-CB 3.44Å; G203-A207 PolarHBondContact O-N 2.6Å; G203-A269 VanDerWaalsContact O-CB 3.24Å; G203-A269 WeakPolarHBondContact O-CB 3.42Å
204T97.6Very high94.4Very high9 Ų920.9 Ų20.96%0.05511%0.108CC..Hα-helixtrans-68-40.2176-50.50000111.5L140 S200 A207 A208L140-T204 HydrophobicContact CB-CG2 4.08Å; L140-T204 HydrophobicContact CD1-CG2 4.4Å; S200-T204 PolarHBondContact O-N 2.55Å; S200-T204 PolarHBondContact O-OG1 3.03Å; T204-A207 PolarHBondContact O-N 3.12Å; T204-A208 WeakPolarHBondContact O-CB 3.21Å; T204-A208 PolarHBondContact O-N 3.21Å
205A97.8Very high94.7Very high0 Ų017.9 Ų17.90%09%0.093CC..Hα-helixtrans-61.8-47.4175.900000112V135 S139 I172 A175 S201 I202 A207 A208 L209V135-A205 HydrophobicContact CG1-CB 4.3Å; S139-A205 VanDerWaalsContact OG-CA 3.29Å; S139-A205 WeakPolarHBondContact OG-CA 3.46Å; S139-A205 WeakPolarHBondContact OG-CB 3.31Å; I172-A205 HydrophobicContact CB-CB 4.34Å; I172-A205 HydrophobicContact CD1-CB 4.43Å; A175-A205 HydrophobicContact CB-CB 3.47Å; A175-A205 VanDerWaalsContact CB-CB 3.47Å; S201-A205 VanDerWaalsContact O-CB 3.26Å; S201-A205 WeakPolarHBondContact O-CB 3.29Å; S201-A205 PolarHBondContact O-N 3.22Å; I202-A205 PolarHBondContact O-N 3.42Å; A205-A207 VanDerWaalsContact C-N 3.29Å; A205-A207 PolarHBondContact O-N 2.94Å; A205-A208 PolarHBondContact O-N 3.08Å; A205-L209 VanDerWaalsContact O-CG 3.28Å; A205-L209 WeakPolarHBondContact O-CG 3.22Å; A205-L209 PolarHBondContact O-N 2.88Å
206K96.9Very high95Very high0 Ų017.4 Ų17.40%09%0.089CC..Hα-helixtrans-53.3-49.8173.5-170-152.3172.9-152.60110.6I202 A208 L209 E210 I235 C238 Q239 A269 E271I202-K206 WeakPolarHBondContact O-CB 3.26Å; I202-K206 PolarHBondContact O-N 3.15Å; K206-A208 VanDerWaalsContact C-N 3.34Å; K206-A208 PolarHBondContact O-N 3.03Å; K206-L209 PolarHBondContact O-N 3.32Å; K206-E210 WeakPolarHBondContact CE-OE1 3.44Å; K206-E210 IonicContact NZ-OE1 2.7Å; K206-E210 PolarHBondContact NZ-OE1 2.87Å; K206-E210 WeakPolarHBondContact O-CG 3.37Å; K206-E210 PolarHBondContact O-N 2.97Å; K206-I235 HydrophobicContact CG-CG2 4.08Å; K206-C238 HydrophobicContact CB-CB 3.89Å; K206-C238 HydrophobicContact CG-CB 4.04Å; K206-Q239 HydrophobicContact CD-CB 4.38Å; K206-A269 HydrophobicContact CD-CB 4.37Å; K206-A269 WeakPolarHBondContact CD-O 3.29Å; K206-A269 PolarHBondContact NZ-O 2.95Å; K206-E271 IonicContact NZ-OE1 2.86Å; K206-E271 PolarHBondContact NZ-OE1 3.37Å
207A97.4Very high95.3Very high0 Ų017 Ų170%09%0.087CC..Hα-helixtrans-64.2-38.9-178.200000113.1L143 G203 T204 A205 A211 A267 A269 R428L143-A207 HydrophobicContact CD1-CB 4.3Å; L143-A207 HydrophobicContact CD2-CB 4.23Å; G203-A207 WeakPolarHBondContact O-CB 3.44Å; G203-A207 PolarHBondContact O-N 2.6Å; T204-A207 PolarHBondContact O-N 3.12Å; A205-A207 VanDerWaalsContact C-N 3.29Å; A205-A207 PolarHBondContact O-N 2.94Å; A207-A211 WeakPolarHBondContact O-CB 3.37Å; A207-A211 PolarHBondContact O-N 2.81Å; A207-A267 HydrophobicContact CB-CB 3.62Å; A207-A267 WeakPolarHBondContact CB-O 3.37Å; A207-A269 HydrophobicContact CB-CB 4.46Å; A207-R428 VanDerWaalsContact CA-CZ 3.44Å; A207-R428 VanDerWaalsContact CB-NH2 3.26Å; A207-R428 PolarHBondContact O-NH1 3.14Å
208A98.2Very high95.6Very high0 Ų017.5 Ų17.50%09%0.088CC..Hα-helixtrans-65.6-44.5176.400000112S139 L142 L143 I172 T204 A205 K206 A211 L212S139-A208 VanDerWaalsContact O-CB 3.28Å; S139-A208 WeakPolarHBondContact O-CB 3.38Å; L142-A208 HydrophobicContact CB-CB 4Å; L143-A208 HydrophobicContact CB-CB 4.17Å; I172-A208 HydrophobicContact CD1-CB 3.79Å; T204-A208 WeakPolarHBondContact O-CB 3.21Å; T204-A208 PolarHBondContact O-N 3.21Å; A205-A208 PolarHBondContact O-N 3.08Å; K206-A208 VanDerWaalsContact C-N 3.34Å; K206-A208 PolarHBondContact O-N 3.03Å; A208-A211 PolarHBondContact O-N 3.45Å; A208-L212 WeakPolarHBondContact O-CB 3.31Å; A208-L212 WeakPolarHBondContact O-CG 3.26Å; A208-L212 PolarHBondContact O-N 3Å
209L97.5Very high95.5Very high2 Ų218.3 Ų18.31%0.0110%0.098CC..Hα-helixtrans-62.2-47.3178.4-68.7165.4000111.5M169 I172 E173 A205 K206 A211 L212 D213 A230 I235M169-L209 HydrophobicContact CB-CD2 4.21Å; M169-L209 HydrophobicContact CE-CD2 4.4Å; I172-L209 HydrophobicContact CD1-CD2 4.03Å; I172-L209 HydrophobicContact CD1-CG 3.92Å; I172-L209 HydrophobicContact CG1-CD2 3.98Å; I172-L209 HydrophobicContact CG1-CG 4.23Å; E173-L209 HydrophobicContact CB-CD1 4.46Å; E173-L209 HydrophobicContact CB-CD2 4.38Å; A205-L209 VanDerWaalsContact O-CG 3.28Å; A205-L209 WeakPolarHBondContact O-CG 3.22Å; A205-L209 PolarHBondContact O-N 2.88Å; K206-L209 PolarHBondContact O-N 3.32Å; L209-A211 VanDerWaalsContact C-N 3.3Å; L209-A211 PolarHBondContact O-N 3.4Å; L209-L212 PolarHBondContact O-N 3.41Å; L209-D213 PolarHBondContact O-N 3Å; L209-A230 HydrophobicContact CB-CB 4.32Å; L209-A230 HydrophobicContact CD2-CB 4.29Å; L209-I235 HydrophobicContact CB-CD1 4.08Å; L209-I235 HydrophobicContact CB-CG1 3.77Å; L209-I235 HydrophobicContact CD1-CG1 4.36Å
210E95.4Very high95Very high60 Ų6023.8 Ų23.828%0.2814%0.144SC..Hα-helixtrans-63.4-34175.2-75.4176.7159.700113K206 I235 R428K206-E210 WeakPolarHBondContact CE-OE1 3.44Å; K206-E210 IonicContact NZ-OE1 2.7Å; K206-E210 PolarHBondContact NZ-OE1 2.87Å; K206-E210 WeakPolarHBondContact O-CG 3.37Å; K206-E210 PolarHBondContact O-N 2.97Å; E210-I235 HydrophobicContact CG-CD1 4.11Å; E210-I235 HydrophobicContact CG-CG2 3.6Å; E210-R428 IonicContact OE2-CZ 3.73Å; E210-R428 VanDerWaalsContact OE2-CZ 3.3Å; E210-R428 IonicContact OE2-NH1 3.68Å; E210-R428 PolarHBondContact OE2-NH1 2.87Å; E210-R428 IonicContact OE2-NH2 3.97Å; E210-R428 PolarHBondContact OE2-NH2 3.3Å
211A96.2Very high94.3Very high6 Ų633 Ų335%0.0518%0.182CC..Hα-helixtrans-75.3-29179.400000112.9L143 A146 A207 A208 L209 L426L143-A211 HydrophobicContact CD1-CB 3.74Å; A146-A211 HydrophobicContact CB-CB 3.78Å; A207-A211 WeakPolarHBondContact O-CB 3.37Å; A207-A211 PolarHBondContact O-N 2.81Å; A208-A211 PolarHBondContact O-N 3.45Å; L209-A211 VanDerWaalsContact C-N 3.3Å; L209-A211 PolarHBondContact O-N 3.4Å; A211-L426 HydrophobicContact CB-CD1 3.72Å; A211-L426 WeakPolarHBondContact O-CD1 3.44Å
212L96.2Very high93.8Very high0 Ų033.9 Ų33.90%019%0.192CC..Hα-helixtrans-90.5-27.4-178.8-76.7170.1000113.4L142 A146 I165 M169 A208 L209 E214 L215 L217 V228L142-L212 HydrophobicContact CB-CD1 3.8Å; L142-L212 HydrophobicContact CD1-CD1 4.26Å; L142-L212 HydrophobicContact CD2-CD1 4.01Å; L142-L212 HydrophobicContact CG-CD1 4.23Å; A146-L212 HydrophobicContact CB-CD2 3.9Å; A146-L212 HydrophobicContact CB-CG 4.15Å; I165-L212 HydrophobicContact CG2-CD2 4.43Å; M169-L212 HydrophobicContact CE-CB 3.79Å; M169-L212 HydrophobicContact CG-CD1 3.74Å; M169-L212 HydrophobicContact SD-CB 3.9Å; M169-L212 HydrophobicContact SD-CD1 3.97Å; A208-L212 WeakPolarHBondContact O-CB 3.31Å; A208-L212 WeakPolarHBondContact O-CG 3.26Å; A208-L212 PolarHBondContact O-N 3Å; L209-L212 PolarHBondContact O-N 3.41Å; L212-E214 PolarHBondContact O-N 3.18Å; L212-L215 HydrophobicContact CD2-CD2 4.09Å; L212-L215 WeakPolarHBondContact O-CB 3.46Å; L212-L215 PolarHBondContact O-N 3.35Å; L212-L217 HydrophobicContact CD2-CD2 4.09Å; L212-V228 HydrophobicContact CB-CG2 4.17Å; L212-V228 HydrophobicContact CD2-CG2 4.29Å; L212-V228 VanDerWaalsContact O-CG2 3.32Å; L212-V228 WeakPolarHBondContact O-CG2 3.23Å
213D94.1Very high93.4Very high51 Ų5135.7 Ų35.727%0.27321%0.211SC..THydrogen-bonded Turntrans-56.9127.5-178.2-165.533.5000111.4L209 L215 A230L209-D213 PolarHBondContact O-N 3Å; D213-L215 PolarHBondContact O-N 3.12Å; D213-L215 VanDerWaalsContact O-N 3.13Å; D213-A230 HydrophobicContact CB-CB 3.95Å; D213-A230 PolarHBondContact OD1-N 3.37Å
214E91.3Very high92.8Very high117 Ų11739.7 Ų39.755%0.54724%0.237SC..THydrogen-bonded Turntrans60.912.8-175.3-53.5-171.6156.200115L212 V228L212-E214 PolarHBondContact O-N 3.18Å; E214-V228 PolarHBondContact N-O 2.81Å
215L94.3Very high92.3Very high23 Ų2341 Ų4112%0.1225%0.253CS..  trans-78.5131.9175.6-17371.9000111.2A146 L212 D213 L217 V227 V228 L426A146-L215 HydrophobicContact CB-CD2 3.69Å; L212-L215 HydrophobicContact CD2-CD2 4.09Å; L212-L215 WeakPolarHBondContact O-CB 3.46Å; L212-L215 PolarHBondContact O-N 3.35Å; D213-L215 PolarHBondContact O-N 3.12Å; D213-L215 VanDerWaalsContact O-N 3.13Å; L215-L217 HydrophobicContact CD2-CD2 4.24Å; L215-V227 WeakPolarHBondContact O-CA 3.29Å; L215-V228 PolarHBondContact O-N 2.81Å; L215-L426 HydrophobicContact CD1-CD2 4.47Å
216N94.8Very high92Very high31 Ų3141.1 Ų41.117%0.16625%0.253CS..BIsolated β-bridgetrans-83.5113.9168.3-162.7-44.6000111.2F218 G219 G222 G223 S226 V227N216-F218 VanDerWaalsContact C-N 3.26Å; N216-F218 PolarHBondContact O-N 3.13Å; N216-F218 PolarHBondContact OD1-N 3.16Å; N216-G219 WeakPolarHBondContact O-CA 3.38Å; N216-G219 PolarHBondContact O-N 3.39Å; N216-G222 WeakPolarHBondContact ND2-CA 3.31Å; N216-G222 PolarHBondContact ND2-O 3.1Å; N216-G222 WeakPolarHBondContact OD1-CA 3.39Å; N216-G223 PolarHBondContact ND2-O 3.21Å; N216-S226 VanDerWaalsContact CG-OG 3.29Å; N216-S226 PolarHBondContact ND2-OG 2.78Å; N216-S226 WeakPolarHBondContact OD1-CB 3.42Å; N216-S226 PolarHBondContact OD1-OG 2.65Å; N216-V227 HydrophobicContact CB-CG2 4.26Å
217L95.4Very high91.8Very high0 Ų042.7 Ų42.70%026%0.263CS..THydrogen-bonded Turntrans-70.7-15.7-176.3-66.5-179.1000114.6I156 V162 I165 L212 L215 G219 S226 V228I156-L217 HydrophobicContact CB-CB 4.22Å; I156-L217 HydrophobicContact CG1-CB 4.2Å; I156-L217 HydrophobicContact CG1-CD1 4.43Å; I156-L217 HydrophobicContact CG2-CB 4.35Å; V162-L217 HydrophobicContact CB-CD1 4.35Å; V162-L217 HydrophobicContact CG1-CD1 4.21Å; V162-L217 HydrophobicContact CG2-CB 4.3Å; V162-L217 HydrophobicContact CG2-CD1 4.19Å; I165-L217 HydrophobicContact CB-CD1 3.69Å; I165-L217 HydrophobicContact CG1-CD1 3.92Å; I165-L217 HydrophobicContact CG2-CD1 3.73Å; I165-L217 HydrophobicContact CG2-CD2 4.4Å; L212-L217 HydrophobicContact CD2-CD2 4.09Å; L215-L217 HydrophobicContact CD2-CD2 4.24Å; L217-G219 VanDerWaalsContact C-N 3.3Å; L217-S226 PolarHBondContact N-O 2.69Å; L217-V228 HydrophobicContact CD1-CG1 3.58Å; L217-V228 HydrophobicContact CD1-CG2 4.47Å; L217-V228 HydrophobicContact CD2-CG2 4.48Å; L217-V228 HydrophobicContact CG-CG1 4.14Å; L217-V228 HydrophobicContact CG-CG2 4.36Å
218F94.8Very high91.6Very high45 Ų4542.7 Ų42.720%0.19726%0.263CS..THydrogen-bonded Turntrans-92.19169.5-61.2-29.1000112.5I156 V162 N216 S226I156-F218 HydrophobicContact CG2-CD1 4.49Å; I156-F218 HydrophobicContact CG2-CE1 3.99Å; I156-F218 WeakPolarHBondContact O-CD1 3.32Å; I156-F218 WeakPolarHBondContact O-CE1 3.29Å; V162-F218 HydrophobicContact CG2-CE1 4.15Å; V162-F218 HydrophobicContact CG2-CZ 4.03Å; N216-F218 VanDerWaalsContact C-N 3.26Å; N216-F218 PolarHBondContact O-N 3.13Å; N216-F218 PolarHBondContact OD1-N 3.16Å; F218-S226 WeakPolarHBondContact CD2-OG 3.48Å
219G90.2Very high91.4Very high24 Ų2443.5 Ų43.525%0.24727%0.266CS..G310 helixtrans63.7-148.6-176.300000112.2N216 L217 K221 G222N216-G219 WeakPolarHBondContact O-CA 3.38Å; N216-G219 PolarHBondContact O-N 3.39Å; L217-G219 VanDerWaalsContact C-N 3.3Å; G219-K221 PolarHBondContact O-N 2.6Å; G219-G222 PolarHBondContact O-N 3.17Å; G219-G222 VanDerWaalsContact O-N 3.12Å
220A84.1Confident91.2Very high117 Ų11743.7 Ų43.797%0.96727%0.269SS*.G310 helixtrans-62.4-12.5-175.100000115.2
221K81.1Confident90.9Very high203 Ų20341.2 Ų41.288%0.88326%0.257SS*.G310 helixtrans-99.1-3.7-179.3-63.2-178.6-178.2176.50113.3G219G219-K221 PolarHBondContact O-N 2.6Å
222G84.8Confident90.6Very high22 Ų2241.8 Ų41.823%0.22726%0.262CS..  trans-78.2152.3-176.700000114.2N216 G219N216-G222 WeakPolarHBondContact ND2-CA 3.31Å; N216-G222 PolarHBondContact ND2-O 3.1Å; N216-G222 WeakPolarHBondContact OD1-CA 3.39Å; G219-G222 PolarHBondContact O-N 3.17Å; G219-G222 VanDerWaalsContact O-N 3.12Å
223G86.6Confident90.2Very high39 Ų3942.4 Ų42.440%0.40227%0.265SS..  trans-89.8-179.3171.800000112.7N216 G225 S226N216-G223 PolarHBondContact ND2-O 3.21Å; G223-G225 PolarHBondContact O-N 3.48Å; G223-G225 VanDerWaalsContact O-N 3.16Å; G223-S226 PolarHBondContact N-OG 2.78Å; G223-S226 PolarHBondContact O-N 3.29Å; G223-S226 VanDerWaalsContact O-N 3.17Å; G223-S226 PolarHBondContact O-OG 3.22Å
224P85Confident89.9Confident84 Ų8440.6 Ų40.655%0.54526%0.255SS..G310 helixtrans-62.8-19.3178.7-23.734.6000114.9S617P224-S617 WeakPolarHBondContact CB-OG 3.45Å; P224-S617 PolarHBondContact O-OG 3.04Å
225G85.3Confident89.9Confident38 Ų3835.9 Ų35.939%0.39223%0.234SC..G310 helixtrans-75.9-19.3176.800000114.2Q159 G223Q159-G225 PolarHBondContact NE2-O 3.28Å; Q159-G225 PolarHBondContact OE1-O 3.15Å; G223-G225 PolarHBondContact O-N 3.48Å; G223-G225 VanDerWaalsContact O-N 3.16Å
226S91.6Very high89.6Confident1 Ų135.1 Ų35.11%0.00723%0.23CC..G310 helixtrans-96.79.9179.856.60000113.7N216 L217 F218 G223N216-S226 VanDerWaalsContact CG-OG 3.29Å; N216-S226 PolarHBondContact ND2-OG 2.78Å; N216-S226 WeakPolarHBondContact OD1-CB 3.42Å; N216-S226 PolarHBondContact OD1-OG 2.65Å; L217-S226 PolarHBondContact N-O 2.69Å; F218-S226 WeakPolarHBondContact CD2-OG 3.48Å; G223-S226 PolarHBondContact N-OG 2.78Å; G223-S226 PolarHBondContact O-N 3.29Å; G223-S226 VanDerWaalsContact O-N 3.17Å; G223-S226 PolarHBondContact O-OG 3.22Å
227V93.2Very high89.1Confident33 Ų3335 Ų3520%0.223%0.228CC..BIsolated β-bridgetrans-87.7131.8174.3-178.70000109L215 N216L215-V227 WeakPolarHBondContact O-CA 3.29Å; N216-V227 HydrophobicContact CB-CG2 4.26Å
228V94.6Very high88.8Confident0 Ų035 Ų350%023%0.228CC..  trans-104.7154.9174.6-640000110.8V162 Q166 M169 L212 E214 L215 L217V162-V228 HydrophobicContact CG1-CG1 4.02Å; Q166-V228 HydrophobicContact CB-CG1 4.25Å; M169-V228 HydrophobicContact CE-CG2 4.5Å; M169-V228 HydrophobicContact SD-CB 3.74Å; M169-V228 HydrophobicContact SD-CG2 3.69Å; L212-V228 HydrophobicContact CB-CG2 4.17Å; L212-V228 HydrophobicContact CD2-CG2 4.29Å; L212-V228 VanDerWaalsContact O-CG2 3.32Å; L212-V228 WeakPolarHBondContact O-CG2 3.23Å; E214-V228 PolarHBondContact N-O 2.81Å; L215-V228 PolarHBondContact O-N 2.81Å; L217-V228 HydrophobicContact CD1-CG1 3.58Å; L217-V228 HydrophobicContact CD1-CG2 4.47Å; L217-V228 HydrophobicContact CD2-CG2 4.48Å; L217-V228 HydrophobicContact CG-CG1 4.14Å; L217-V228 HydrophobicContact CG-CG2 4.36Å
229H92.9Very high88.6Confident17 Ų1733.1 Ų33.18%0.07922%0.22CC..  trans-130.8136.4-173-56.9-78.7000111.7Q166 M169 L486Q166-H229 PolarHBondContact NE2-O 3.12Å; M169-H229 VanDerWaalsContact CE-C 3.48Å; M169-H229 WeakPolarHBondContact CE-O 3.39Å; H229-L486 HydrophobicContact CB-CD2 3.97Å
230A92.8Very high88.3Confident7 Ų732.9 Ų32.96%0.05821%0.214CC..  trans-108.5158.8165.700000109.8M169 L209 D213 I235M169-A230 HydrophobicContact CE-CB 3.64Å; L209-A230 HydrophobicContact CB-CB 4.32Å; L209-A230 HydrophobicContact CD2-CB 4.29Å; D213-A230 HydrophobicContact CB-CB 3.95Å; D213-A230 PolarHBondContact OD1-N 3.37Å; A230-I235 HydrophobicContact CB-CD1 4Å
231L90Very high88.2Confident8 Ų827.3 Ų27.34%0.04217%0.168CC..  trans-94.5132.7170.8-69.5173.3000110.3D233 D234 I235 Y483 I502L231-D233 PolarHBondContact O-N 3.32Å; L231-D234 PolarHBondContact O-N 3.41Å; L231-I235 PolarHBondContact O-N 3.13Å; L231-Y483 HydrophobicContact CD2-CD1 4.09Å; L231-Y483 HydrophobicContact CD2-CD2 4.34Å; L231-Y483 HydrophobicContact CD2-CE1 3.73Å; L231-Y483 HydrophobicContact CD2-CE2 3.99Å; L231-Y483 HydrophobicContact CD2-CG 4.37Å; L231-I502 HydrophobicContact CD1-CG1 4.27Å
232A89.8Confident88.6Confident18 Ų1817.7 Ų17.715%0.14913%0.127CC..Hα-helixtrans-61.6-33.1179.800000112.6I235 Q236 L505 I556A232-I235 PolarHBondContact O-N 3.43Å; A232-Q236 WeakPolarHBondContact O-CB 3.31Å; A232-Q236 PolarHBondContact O-N 3.35Å; A232-L505 HydrophobicContact CB-CB 3.9Å; A232-I556 HydrophobicContact CB-CD1 3.75Å
233D87.6Confident88.7Confident12 Ų1218.7 Ų18.76%0.06413%0.128CC..Hα-helixtrans-60.8-47.4176.6-59.5-75.4000111.5L231 I235 Q236 H237 G503 V504 L505 G506L231-D233 PolarHBondContact O-N 3.32Å; D233-I235 PolarHBondContact O-N 3.41Å; D233-Q236 PolarHBondContact O-N 3.37Å; D233-Q236 VanDerWaalsContact O-N 3.15Å; D233-H237 PolarHBondContact O-CD2 2.68Å; D233-H237 PolarHBondContact O-N 3.42Å; D233-G503 VanDerWaalsContact OD1-C 3.25Å; D233-G503 VanDerWaalsContact OD1-CA 3.27Å; D233-G503 WeakPolarHBondContact OD1-CA 3.43Å; D233-G503 PolarHBondContact OD2-N 3.26Å; D233-V504 PolarHBondContact OD1-N 3.46Å; D233-L505 VanDerWaalsContact OD1-CB 3.29Å; D233-L505 WeakPolarHBondContact OD1-CB 3.47Å; D233-L505 PolarHBondContact OD1-N 3.47Å; D233-G506 PolarHBondContact OD2-N 2.9Å
234D87.6Confident88.5Confident13 Ų1318.2 Ų18.27%0.0712%0.119CC..Hα-helixtrans-64-40.2-180-68.2-52.2000111.9E173 L231 Q236 H237 C238 R497E173-D234 HydrophobicContact CB-CB 4.26Å; L231-D234 PolarHBondContact O-N 3.41Å; D234-Q236 VanDerWaalsContact C-N 3.34Å; D234-Q236 PolarHBondContact O-N 2.71Å; D234-H237 PolarHBondContact O-N 2.56Å; D234-C238 PolarHBondContact O-N 3.24Å; D234-R497 IonicContact OD2-NH2 2.68Å
235I91.9Very high88.6Confident19 Ų1914.5 Ų14.510%0.0979%0.094CC..Hα-helixtrans-61.7-43.4173.6-65170.8000110.7K206 L209 E210 A230 L231 A232 D233 C238 Q239K206-I235 HydrophobicContact CG-CG2 4.08Å; L209-I235 HydrophobicContact CB-CD1 4.08Å; L209-I235 HydrophobicContact CB-CG1 3.77Å; L209-I235 HydrophobicContact CD1-CG1 4.36Å; E210-I235 HydrophobicContact CG-CD1 4.11Å; E210-I235 HydrophobicContact CG-CG2 3.6Å; A230-I235 HydrophobicContact CB-CD1 4Å; L231-I235 PolarHBondContact O-N 3.13Å; A232-I235 PolarHBondContact O-N 3.43Å; D233-I235 PolarHBondContact O-N 3.41Å; I235-C238 WeakPolarHBondContact O-CB 3.45Å; I235-C238 PolarHBondContact O-N 2.77Å; I235-Q239 PolarHBondContact O-N 3.5Å
236Q87.7Confident88.9Confident7 Ų713.1 Ų13.13%0.0338%0.078CC..Hα-helixtrans-70.9-30.7-178.5-173.65647.900112.7A232 D233 D234 Q239 S240 L505 Y549 R553A232-Q236 WeakPolarHBondContact O-CB 3.31Å; A232-Q236 PolarHBondContact O-N 3.35Å; D233-Q236 PolarHBondContact O-N 3.37Å; D233-Q236 VanDerWaalsContact O-N 3.15Å; D234-Q236 VanDerWaalsContact C-N 3.34Å; D234-Q236 PolarHBondContact O-N 2.71Å; Q236-Q239 PolarHBondContact O-N 3.24Å; Q236-S240 PolarHBondContact NE2-OG 3.16Å; Q236-S240 WeakPolarHBondContact O-CB 2.85Å; Q236-S240 PolarHBondContact O-N 2.97Å; Q236-S240 PolarHBondContact O-OG 3.5Å; Q236-L505 HydrophobicContact CB-CD1 3.56Å; Q236-L505 HydrophobicContact CG-CD1 3.87Å; Q236-Y549 WeakPolarHBondContact CG-OH 3.48Å; Q236-R553 HydrophobicContact CG-CB 3.96Å; Q236-R553 HydrophobicContact CG-CG 4.11Å; Q236-R553 VanDerWaalsContact NE2-CD 3.29Å
237H84.9Confident88.8Confident29 Ų2914 Ų1413%0.1348%0.084CC..Hα-helixtrans-60.4-53168.2-73.8-68.2000110.1Y176 D233 D234 Q239 S240 I241 D844Y176-H237 HydrophobicContact CD1-CB 3.89Å; Y176-H237 HydrophobicContact CD2-CB 4.04Å; Y176-H237 HydrophobicContact CE1-CB 3.94Å; Y176-H237 HydrophobicContact CE2-CB 4.05Å; Y176-H237 HydrophobicContact CG-CB 3.96Å; D233-H237 PolarHBondContact O-CD2 2.68Å; D233-H237 PolarHBondContact O-N 3.42Å; D234-H237 PolarHBondContact O-N 2.56Å; H237-Q239 VanDerWaalsContact C-N 3.28Å; H237-Q239 PolarHBondContact O-N 3.14Å; H237-S240 PolarHBondContact O-N 3.37Å; H237-S240 VanDerWaalsContact O-N 3.08Å; H237-I241 WeakPolarHBondContact O-CG1 3.36Å; H237-I241 PolarHBondContact O-N 3.1Å; H237-D844 IonicContact CE1-OD1 2.74Å; H237-D844 PolarHBondContact CE1-OD1 3.27Å; H237-D844 IonicContact ND1-OD1 3.55Å; H237-D844 PolarHBondContact ND1-OD1 2.87Å
238C89.5Confident88.7Confident0 Ų016.4 Ų16.40%09%0.089CC..Hα-helixtrans-52.4-43.7175.2-70.80000112.7I202 K206 D234 I235 L242I202-C238 HydrophobicContact CG2-CB 3.89Å; K206-C238 HydrophobicContact CB-CB 3.89Å; K206-C238 HydrophobicContact CG-CB 4.04Å; D234-C238 PolarHBondContact O-N 3.24Å; I235-C238 WeakPolarHBondContact O-CB 3.45Å; I235-C238 PolarHBondContact O-N 2.77Å; C238-L242 VanDerWaalsContact O-CB 3.24Å; C238-L242 WeakPolarHBondContact O-CB 3.43Å; C238-L242 PolarHBondContact O-N 3.29Å
239Q89.2Confident88.5Confident4 Ų416.5 Ų16.52%0.0199%0.09CC..Hα-helixtrans-61-46.4176.6-179.552.326.200113.1K206 I235 Q236 H237 I241 L242 T243 A269K206-Q239 HydrophobicContact CD-CB 4.38Å; I235-Q239 PolarHBondContact O-N 3.5Å; Q236-Q239 PolarHBondContact O-N 3.24Å; H237-Q239 VanDerWaalsContact C-N 3.28Å; H237-Q239 PolarHBondContact O-N 3.14Å; Q239-I241 VanDerWaalsContact C-N 3.31Å; Q239-I241 PolarHBondContact O-N 3.33Å; Q239-L242 PolarHBondContact O-N 2.76Å; Q239-T243 PolarHBondContact NE2-OG1 3.19Å; Q239-T243 WeakPolarHBondContact O-CB 3.49Å; Q239-T243 PolarHBondContact O-N 3.5Å; Q239-T243 PolarHBondContact O-OG1 2.64Å; Q239-A269 PolarHBondContact OE1-O 3.06Å
240S83.4Confident88.4Confident19 Ų1915.9 Ų15.913%0.1339%0.088CC..Hα-helixtrans-64.7-40.7-175.7-55.10000110.7Q236 H237 S244Q236-S240 PolarHBondContact NE2-OG 3.16Å; Q236-S240 WeakPolarHBondContact O-CB 2.85Å; Q236-S240 PolarHBondContact O-N 2.97Å; Q236-S240 PolarHBondContact O-OG 3.5Å; H237-S240 PolarHBondContact O-N 3.37Å; H237-S240 VanDerWaalsContact O-N 3.08Å; S240-S244 PolarHBondContact O-N 3.46Å
241I83.8Confident88.1Confident1 Ų118.2 Ų18.21%0.00510%0.098CC..Hα-helixtrans-69.4-46.9178-57.6-38.3000110.7I202 H237 Q239 T243 S244 M245 A847I202-I241 HydrophobicContact CD1-CG2 3.89Å; H237-I241 WeakPolarHBondContact O-CG1 3.36Å; H237-I241 PolarHBondContact O-N 3.1Å; Q239-I241 VanDerWaalsContact C-N 3.31Å; Q239-I241 PolarHBondContact O-N 3.33Å; I241-T243 VanDerWaalsContact C-N 3.29Å; I241-T243 PolarHBondContact O-N 3.33Å; I241-S244 PolarHBondContact O-N 3.48Å; I241-S244 PolarHBondContact O-OG 2.92Å; I241-M245 HydrophobicContact CG2-CG 4.1Å; I241-M245 HydrophobicContact CG2-SD 3.73Å; I241-M245 WeakPolarHBondContact O-CG 3.28Å; I241-M245 PolarHBondContact O-N 2.81Å; I241-A847 HydrophobicContact CB-CB 4.38Å; I241-A847 HydrophobicContact CD1-CB 3.1Å; I241-A847 HydrophobicContact CG1-CB 3.47Å; I241-A847 VanDerWaalsContact CG1-CB 3.47Å; I241-A847 HydrophobicContact CG2-CB 4.02Å
242L89.1Confident88.1Confident1 Ų117.9 Ų17.91%0.00510%0.097CC..Hα-helixtrans-58.1-42.6178.5-17462.3000112A199 I202 C238 Q239 S244 M245 L246 I262 A269 V270A199-L242 HydrophobicContact CB-CD1 4.12Å; I202-L242 HydrophobicContact CG2-CB 4.36Å; C238-L242 VanDerWaalsContact O-CB 3.24Å; C238-L242 WeakPolarHBondContact O-CB 3.43Å; C238-L242 PolarHBondContact O-N 3.29Å; Q239-L242 PolarHBondContact O-N 2.76Å; L242-S244 VanDerWaalsContact C-N 3.29Å; L242-S244 PolarHBondContact O-N 3.06Å; L242-M245 PolarHBondContact O-N 3.32Å; L242-L246 HydrophobicContact CD1-CD1 3.88Å; L242-L246 HydrophobicContact CD1-CD2 4.41Å; L242-L246 HydrophobicContact CD1-CG 3.97Å; L242-L246 HydrophobicContact CG-CD1 3.95Å; L242-L246 HydrophobicContact CG-CG 4.38Å; L242-L246 WeakPolarHBondContact O-CG 3.31Å; L242-L246 PolarHBondContact O-N 3.27Å; L242-L246 VanDerWaalsContact O-N 3.09Å; L242-I262 HydrophobicContact CD1-CD1 3.61Å; L242-I262 HydrophobicContact CD2-CD1 4.33Å; L242-A269 HydrophobicContact CD2-CB 4.02Å; L242-V270 HydrophobicContact CD2-CG2 3.74Å; L242-V270 HydrophobicContact CG-CG2 4.18Å
243T87.1Confident88.2Confident42 Ų4217.2 Ų17.226%0.2589%0.091SC..Hα-helixtrans-62.7-34.1175.5-64.80000112.4Q239 I241 I275Q239-T243 PolarHBondContact NE2-OG1 3.19Å; Q239-T243 WeakPolarHBondContact O-CB 3.49Å; Q239-T243 PolarHBondContact O-N 3.5Å; Q239-T243 PolarHBondContact O-OG1 2.64Å; I241-T243 VanDerWaalsContact C-N 3.29Å; I241-T243 PolarHBondContact O-N 3.33Å; T243-I275 HydrophobicContact CG2-CD1 3.61Å
244S82.8Confident88.4Confident30 Ų3017.7 Ų17.721%0.219%0.092CC..Hα-helixtrans-81.2-28.9178.580.30000113.9S240 I241 L242 R248S240-S244 PolarHBondContact O-N 3.46Å; I241-S244 PolarHBondContact O-N 3.48Å; I241-S244 PolarHBondContact O-OG 2.92Å; L242-S244 VanDerWaalsContact C-N 3.29Å; L242-S244 PolarHBondContact O-N 3.06Å; S244-R248 PolarHBondContact O-NH2 3.02Å
245M85.9Confident88.7Confident6 Ų617.1 Ų17.13%0.039%0.089CC..Hα-helixtrans-78-49.1-178.4-74.7-176.671.500111.4I197 A199 I202 I241 L242 R248 A249I197-M245 HydrophobicContact CG2-CE 4.01Å; I197-M245 HydrophobicContact CG2-SD 3.84Å; I197-M245 WeakPolarHBondContact O-CE 3.32Å; A199-M245 HydrophobicContact CB-CE 4.19Å; I202-M245 HydrophobicContact CD1-SD 3.83Å; I241-M245 HydrophobicContact CG2-CG 4.1Å; I241-M245 HydrophobicContact CG2-SD 3.73Å; I241-M245 WeakPolarHBondContact O-CG 3.28Å; I241-M245 PolarHBondContact O-N 2.81Å; L242-M245 PolarHBondContact O-N 3.32Å; M245-R248 CarbonylContact C-O 3.34Å; M245-R248 WeakPolarHBondContact O-CA 3.47Å; M245-R248 VanDerWaalsContact O-CB 3.3Å; M245-R248 WeakPolarHBondContact O-CB 3.43Å; M245-R248 PolarHBondContact O-N 3.37Å; M245-R248 PolarHBondContact O-NE 3.49Å; M245-R248 PolarHBondContact O-NH2 3.13Å; M245-A249 WeakPolarHBondContact CE-O 3.4Å
246L91.3Very high88.9Confident8 Ų816.4 Ų16.44%0.0429%0.086CC..THydrogen-bonded Turntrans-61.2141.6-174.6-68.2179.8000112A199 L242 R248 V259 I263 V270 I275 T279A199-L246 HydrophobicContact CB-CD2 4.19Å; L242-L246 HydrophobicContact CD1-CD1 3.88Å; L242-L246 HydrophobicContact CD1-CD2 4.41Å; L242-L246 HydrophobicContact CD1-CG 3.97Å; L242-L246 HydrophobicContact CG-CD1 3.95Å; L242-L246 HydrophobicContact CG-CG 4.38Å; L242-L246 WeakPolarHBondContact O-CG 3.31Å; L242-L246 PolarHBondContact O-N 3.27Å; L242-L246 VanDerWaalsContact O-N 3.09Å; L246-R248 VanDerWaalsContact C-N 3.34Å; L246-V259 HydrophobicContact CD2-CG1 3.54Å; L246-V259 HydrophobicContact CD2-CG2 4.42Å; L246-I263 HydrophobicContact CD1-CG2 4.24Å; L246-V270 HydrophobicContact CD1-CG2 3.48Å; L246-V270 VanDerWaalsContact CD1-CG2 3.48Å; L246-I275 HydrophobicContact CB-CG2 3.65Å; L246-I275 HydrophobicContact CD1-CG2 4.04Å; L246-T279 HydrophobicContact CD2-CG2 4.16Å
247P90.8Very high89.3Confident20 Ų2016.1 Ų16.113%0.138%0.084CC..THydrogen-bonded Turncis-82-1.51234.9-36.3000114.8M278 T279 E282P247-M278 HydrophobicContact CG-CE 4.37Å; P247-T279 HydrophobicContact CB-CG2 4.15Å; P247-E282 HydrophobicContact CB-CB 4.29Å; P247-E282 HydrophobicContact CB-CG 4.14Å; P247-E282 HydrophobicContact CG-CG 4.12Å
248R90.3Very high89.8Confident83 Ų8314.8 Ų14.831%0.3138%0.079SC..  trans-73.6145.4179.9-56.5168.7-68.6-85.7-8.1111.5S244 M245 L246 E254S244-R248 PolarHBondContact O-NH2 3.02Å; M245-R248 CarbonylContact C-O 3.34Å; M245-R248 WeakPolarHBondContact O-CA 3.47Å; M245-R248 VanDerWaalsContact O-CB 3.3Å; M245-R248 WeakPolarHBondContact O-CB 3.43Å; M245-R248 PolarHBondContact O-N 3.37Å; M245-R248 PolarHBondContact O-NE 3.49Å; M245-R248 PolarHBondContact O-NH2 3.13Å; L246-R248 VanDerWaalsContact C-N 3.34Å; R248-E254 VanDerWaalsContact CA-O 3.3Å; R248-E254 WeakPolarHBondContact CA-O 3.27Å
249A90.6Very high90.2Very high3 Ų314.8 Ų14.83%0.0258%0.079CC..  trans-93.3-34.8-178.400000113.3A199 M245 K253 D256 V259A199-A249 WeakPolarHBondContact CB-O 3.23Å; A199-A249 PolarHBondContact N-O 2.73Å; M245-A249 WeakPolarHBondContact CE-O 3.4Å; A249-K253 HydrophobicContact CB-CB 4.2Å; A249-K253 PolarHBondContact N-O 3.12Å; A249-D256 HydrophobicContact CB-CB 3.31Å; A249-V259 HydrophobicContact CB-CG2 4Å
250S90.5Very high90.5Very high4 Ų414.7 Ų14.73%0.0288%0.078CC..SBendtrans-162.7179.8178.256.40000110.3E196 I197 S252 K253E196-S250 WeakPolarHBondContact OE2-CB 3.22Å; E196-S250 PolarHBondContact OE2-OG 3.17Å; I197-S250 WeakPolarHBondContact O-CB 3.4Å; S250-S252 VanDerWaalsContact C-N 3.27Å; S250-S252 PolarHBondContact O-N 2.93Å; S250-K253 PolarHBondContact N-O 2.99Å; S250-K253 CarbonylContact O-C 3.56Å; S250-K253 PolarHBondContact O-N 2.63Å; S250-K253 VanDerWaalsContact O-O 3.11Å; S250-K253 VanDerWaalsContact OG-CB 3.26Å; S250-K253 WeakPolarHBondContact OG-CB 3.36Å; S250-K253 VanDerWaalsContact OG-CG 3.28Å; S250-K253 WeakPolarHBondContact OG-CG 3.27Å; S250-K253 PolarHBondContact OG-N 3.41Å; S250-K253 PolarHBondContact OG-NZ 3.25Å; S250-K253 VanDerWaalsContact OG-NZ 3.14Å
251I86.6Confident91.1Very high55 Ų5514 Ų1428%0.2827%0.074SC..SBendtrans-62.6-33.6179.563.9174.6000112.9E196 I1102 K1103E196-I251 VanDerWaalsContact CD-CG1 3.48Å; E196-I251 HydrophobicContact CG-CD1 4.24Å; E196-I251 HydrophobicContact CG-CG1 4.04Å; E196-I251 WeakPolarHBondContact OE1-CG1 3.47Å; I251-I1102 PolarHBondContact O-N 2.77Å; I251-K1103 WeakPolarHBondContact O-CB 3.46Å; I251-K1103 PolarHBondContact O-N 3.3Å
252S89.3Confident91.8Very high1 Ų114 Ų141%0.0077%0.074CC..SBendtrans-95.1-12.8178.769.80000113.1K189 E196 S250 E1101K189-S252 WeakPolarHBondContact CD-O 3.33Å; K189-S252 WeakPolarHBondContact CE-O 3.49Å; K189-S252 PolarHBondContact N-OG 2.96Å; K189-S252 PolarHBondContact NZ-O 3.42Å; E196-S252 WeakPolarHBondContact OE1-CB 3.29Å; E196-S252 PolarHBondContact OE1-OG 3.5Å; E196-S252 PolarHBondContact OE2-OG 3.26Å; S250-S252 VanDerWaalsContact C-N 3.27Å; S250-S252 PolarHBondContact O-N 2.93Å; S252-E1101 VanDerWaalsContact O-CG 3.28Å; S252-E1101 WeakPolarHBondContact O-CG 3.49Å
253K91.7Very high92.1Very high4 Ų414.3 Ų14.32%0.0178%0.076CC..  trans-119.8100.5-178.1-50.8175.1-155.3800110.9G187 K189 E196 N198 A249 S250 V255 D256 F296G187-K253 WeakPolarHBondContact O-CE 3.22Å; G187-K253 PolarHBondContact O-NZ 3.06Å; K189-K253 HydrophobicContact CD-CG 4.35Å; K189-K253 HydrophobicContact CG-CG 3.8Å; E196-K253 IonicContact OE2-NZ 3Å; E196-K253 PolarHBondContact OE2-NZ 3.42Å; N198-K253 PolarHBondContact OD1-NZ 2.68Å; A249-K253 HydrophobicContact CB-CB 4.2Å; A249-K253 PolarHBondContact N-O 3.12Å; S250-K253 PolarHBondContact N-O 2.99Å; S250-K253 CarbonylContact O-C 3.56Å; S250-K253 PolarHBondContact O-N 2.63Å; S250-K253 VanDerWaalsContact O-O 3.11Å; S250-K253 VanDerWaalsContact OG-CB 3.26Å; S250-K253 WeakPolarHBondContact OG-CB 3.36Å; S250-K253 VanDerWaalsContact OG-CG 3.28Å; S250-K253 WeakPolarHBondContact OG-CG 3.27Å; S250-K253 PolarHBondContact OG-N 3.41Å; S250-K253 PolarHBondContact OG-NZ 3.25Å; S250-K253 VanDerWaalsContact OG-NZ 3.14Å; K253-V255 PolarHBondContact O-N 3.41Å; K253-D256 WeakPolarHBondContact CD-OD2 3.44Å; K253-F296 HydrophobicContact CD-CB 4.49Å; K253-F296 HydrophobicContact CD-CD1 4Å; K253-F296 HydrophobicContact CD-CE1 4.41Å; K253-F296 HydrophobicContact CD-CG 4.12Å; K253-F296 HydrophobicContact CG-CG 4.46Å
254E92.1Very high92.5Very high22 Ų2212.4 Ų12.410%0.1036%0.064CC..SBendtrans-64.8-24.5176.571.5171.8122.100113.6R248 K286 L297 T1098 G1100 E1101R248-E254 VanDerWaalsContact CA-O 3.3Å; R248-E254 WeakPolarHBondContact CA-O 3.27Å; E254-K286 IonicContact OE2-NZ 2.94Å; E254-K286 PolarHBondContact OE2-NZ 2.77Å; E254-K286 VanDerWaalsContact OE2-NZ 3.08Å; E254-L297 HydrophobicContact CG-CD1 4.07Å; E254-L297 WeakPolarHBondContact OE1-CD1 3.27Å; E254-T1098 WeakPolarHBondContact OE1-CB 3.4Å; E254-T1098 PolarHBondContact OE1-OG1 3.31Å; E254-G1100 WeakPolarHBondContact OE2-CA 3.27Å; E254-E1101 HydrophobicContact CB-CG 4.44Å
255V94.2Very high93.1Very high1 Ų111 Ų111%0.0065%0.054CC..  trans-152.7142.6175.765.10000108.9K253 E282 I283 K286 L287 F296 L297K253-V255 PolarHBondContact O-N 3.41Å; V255-E282 HydrophobicContact CG2-CB 4.45Å; V255-I283 HydrophobicContact CG2-CB 4.47Å; V255-I283 HydrophobicContact CG2-CG1 3.77Å; V255-K286 HydrophobicContact CG1-CB 4.21Å; V255-K286 HydrophobicContact CG1-CD 4.07Å; V255-L287 HydrophobicContact CB-CD1 4.48Å; V255-L287 HydrophobicContact CG1-CD1 4.05Å; V255-L287 HydrophobicContact CG1-CD2 3.92Å; V255-L287 HydrophobicContact CG1-CG 3.95Å; V255-L287 HydrophobicContact CG2-CD1 3.85Å; V255-L287 HydrophobicContact CG2-CG 4.23Å; V255-F296 VanDerWaalsContact O-CB 3.31Å; V255-F296 WeakPolarHBondContact O-CB 3.45Å; V255-L297 HydrophobicContact CG1-CD1 4.04Å; V255-L297 HydrophobicContact CG1-CG 3.98Å
256D96.2Very high93.5Very high5 Ų510.8 Ų10.83%0.0275%0.053CC..BIsolated β-bridgetrans-147.2127.2177.3-168.6-50000109.4W184 A249 K253 G258 V259 R295 F296W184-D256 PolarHBondContact NE1-OD1 3.19Å; W184-D256 PolarHBondContact NE1-OD2 3.47Å; W184-D256 VanDerWaalsContact NE1-OD2 3.09Å; A249-D256 HydrophobicContact CB-CB 3.31Å; K253-D256 WeakPolarHBondContact CD-OD2 3.44Å; D256-G258 PolarHBondContact O-N 2.93Å; D256-G258 WeakPolarHBondContact OD1-CA 3.47Å; D256-G258 PolarHBondContact OD1-N 3.05Å; D256-V259 HydrophobicContact CB-CG2 4.44Å; D256-V259 WeakPolarHBondContact O-CB 3.44Å; D256-V259 WeakPolarHBondContact O-CG2 3.43Å; D256-V259 PolarHBondContact O-N 2.94Å; D256-R295 CarbonylContact C-O 3.58Å; D256-R295 VanDerWaalsContact CA-O 3.31Å; D256-R295 WeakPolarHBondContact CA-O 3.4Å; D256-F296 HydrophobicContact CB-CB 4.4Å
257A96.8Very high93.8Very high0 Ų010.4 Ų10.40%05%0.051CC..G310 helixtrans-67.8-19.2-178.700000112.7V259 L260 I283 L287 C293 C294 R295 F331A257-V259 PolarHBondContact O-N 2.93Å; A257-L260 VanDerWaalsContact O-CB 3.28Å; A257-L260 WeakPolarHBondContact O-CB 3.21Å; A257-L260 VanDerWaalsContact O-CG 3.31Å; A257-L260 WeakPolarHBondContact O-CG 3.27Å; A257-L260 PolarHBondContact O-N 3.36Å; A257-I283 HydrophobicContact CB-CG2 4.1Å; A257-L287 HydrophobicContact CB-CD1 3.92Å; A257-C293 HydrophobicContact CB-CB 4.19Å; A257-C294 WeakPolarHBondContact CB-O 3.28Å; A257-R295 PolarHBondContact N-O 2.88Å; A257-F331 VanDerWaalsContact C-CE1 3.44Å; A257-F331 HydrophobicContact CB-CD1 3.63Å; A257-F331 HydrophobicContact CB-CD2 3.83Å; A257-F331 HydrophobicContact CB-CE1 3.5Å; A257-F331 VanDerWaalsContact CB-CE1 3.5Å; A257-F331 HydrophobicContact CB-CE2 3.67Å; A257-F331 HydrophobicContact CB-CG 3.79Å; A257-F331 HydrophobicContact CB-CZ 3.51Å; A257-F331 WeakPolarHBondContact O-CE1 3.28Å
258G95.3Very high94.1Very high1 Ų110.1 Ų10.11%0.015%0.048CC..G310 helixtrans-58.3-23.9171.600000114.5M183 D256 L260 A261M183-G258 WeakPolarHBondContact SD-CA 3.39Å; D256-G258 PolarHBondContact O-N 2.93Å; D256-G258 WeakPolarHBondContact OD1-CA 3.47Å; D256-G258 PolarHBondContact OD1-N 3.05Å; G258-L260 PolarHBondContact O-N 3.28Å; G258-A261 WeakPolarHBondContact O-CB 3.45Å; G258-A261 PolarHBondContact O-N 3.02Å
259V96.6Very high94.3Very high1 Ų16.2 Ų6.21%0.0063%0.033CC..G310 helixtrans-65.3-19.5175.3174.20000112.2A199 L246 A249 D256 A257 A261 I262 I263 T279 I283A199-V259 HydrophobicContact CB-CG2 4.4Å; L246-V259 HydrophobicContact CD2-CG1 3.54Å; L246-V259 HydrophobicContact CD2-CG2 4.42Å; A249-V259 HydrophobicContact CB-CG2 4Å; D256-V259 HydrophobicContact CB-CG2 4.44Å; D256-V259 WeakPolarHBondContact O-CB 3.44Å; D256-V259 WeakPolarHBondContact O-CG2 3.43Å; D256-V259 PolarHBondContact O-N 2.94Å; A257-V259 PolarHBondContact O-N 2.93Å; V259-A261 PolarHBondContact O-N 3.41Å; V259-I262 HydrophobicContact CB-CG1 4.49Å; V259-I262 HydrophobicContact CG1-CD1 4.14Å; V259-I262 HydrophobicContact CG1-CG1 3.94Å; V259-I262 WeakPolarHBondContact O-CG1 3.44Å; V259-I262 PolarHBondContact O-N 3.24Å; V259-I263 HydrophobicContact CG1-CG2 3.86Å; V259-I263 PolarHBondContact O-N 2.73Å; V259-I263 VanDerWaalsContact O-N 3.09Å; V259-T279 HydrophobicContact CG1-CG2 3.65Å; V259-I283 HydrophobicContact CB-CD1 4.22Å
260L97.2Very high94.5Very high1 Ų16.1 Ų6.11%0.0053%0.032CC..Hα-helixtrans-53.5-40.3171.3-70.9173.7000111.6A257 G258 I262 I263 T264 I283 F331 Y334 L335A257-L260 VanDerWaalsContact O-CB 3.28Å; A257-L260 WeakPolarHBondContact O-CB 3.21Å; A257-L260 VanDerWaalsContact O-CG 3.31Å; A257-L260 WeakPolarHBondContact O-CG 3.27Å; A257-L260 PolarHBondContact O-N 3.36Å; G258-L260 PolarHBondContact O-N 3.28Å; L260-I262 PolarHBondContact O-N 3.37Å; L260-I263 HydrophobicContact CD2-CD1 4.14Å; L260-I263 HydrophobicContact CD2-CG1 4.47Å; L260-I263 PolarHBondContact O-N 2.92Å; L260-T264 WeakPolarHBondContact O-CG2 3.4Å; L260-T264 PolarHBondContact O-N 2.81Å; L260-I283 HydrophobicContact CD1-CG2 4.29Å; L260-I283 HydrophobicContact CD2-CD1 4.1Å; L260-I283 HydrophobicContact CG-CD1 4.05Å; L260-I283 HydrophobicContact CG-CG2 4.38Å; L260-F331 HydrophobicContact CD1-CB 4.01Å; L260-F331 HydrophobicContact CD1-CD1 4.07Å; L260-F331 HydrophobicContact CD1-CG 4.42Å; L260-Y334 HydrophobicContact CB-CG 4.23Å; L260-L335 HydrophobicContact CD1-CD2 4.39Å; L260-L335 HydrophobicContact CD1-CG 4.43Å; L260-L335 HydrophobicContact CD2-CD2 4.02Å
261A95.9Very high94.5Very high5 Ų57.5 Ų7.54%0.0414%0.038CC..Hα-helixtrans-62.8-17.4-179.200000114G258 V259 P266 A267 Y334G258-A261 WeakPolarHBondContact O-CB 3.45Å; G258-A261 PolarHBondContact O-N 3.02Å; V259-A261 PolarHBondContact O-N 3.41Å; A261-P266 WeakPolarHBondContact O-CD 3.5Å; A261-A267 WeakPolarHBondContact O-CB 3.49Å; A261-A267 PolarHBondContact O-N 3.35Å; A261-Y334 HydrophobicContact CB-CE1 3.9Å
262I96.9Very high94.6Very high0 Ų08.2 Ų8.20%04%0.043CC..Hα-helixtrans-108-29.3179.765.4161.1000114.4A199 S200 L242 V259 L260 A267 F268 A269A199-I262 WeakPolarHBondContact O-CD1 3.23Å; S200-I262 WeakPolarHBondContact O-CG2 3.44Å; L242-I262 HydrophobicContact CD1-CD1 3.61Å; L242-I262 HydrophobicContact CD2-CD1 4.33Å; V259-I262 HydrophobicContact CB-CG1 4.49Å; V259-I262 HydrophobicContact CG1-CD1 4.14Å; V259-I262 HydrophobicContact CG1-CG1 3.94Å; V259-I262 WeakPolarHBondContact O-CG1 3.44Å; V259-I262 PolarHBondContact O-N 3.24Å; L260-I262 PolarHBondContact O-N 3.37Å; I262-A267 HydrophobicContact CB-CB 4.34Å; I262-A267 HydrophobicContact CG2-CB 4.27Å; I262-F268 CarbonylContact O-C 3.5Å; I262-F268 PolarHBondContact O-N 2.96Å; I262-A269 HydrophobicContact CB-CB 4.28Å; I262-A269 PolarHBondContact O-N 2.68Å
263I96.3Very high94.8Very high9 Ų912.2 Ų12.25%0.0466%0.062CC..Hα-helixtrans-81.8-22.5175.467.6171.7000112L246 V259 L260 V270 V276 T279 K280L246-I263 HydrophobicContact CD1-CG2 4.24Å; V259-I263 HydrophobicContact CG1-CG2 3.86Å; V259-I263 PolarHBondContact O-N 2.73Å; V259-I263 VanDerWaalsContact O-N 3.09Å; L260-I263 HydrophobicContact CD2-CD1 4.14Å; L260-I263 HydrophobicContact CD2-CG1 4.47Å; L260-I263 PolarHBondContact O-N 2.92Å; I263-V270 HydrophobicContact CG2-CG2 3.92Å; I263-V276 HydrophobicContact CB-CG1 4.33Å; I263-V276 HydrophobicContact CB-CG2 4.41Å; I263-T279 HydrophobicContact CD1-CG2 4.23Å; I263-T279 HydrophobicContact CG2-CG2 4.36Å; I263-K280 HydrophobicContact CD1-CB 4.06Å
264T94.8Very high94.9Very high2 Ų215.6 Ų15.61%0.0129%0.086CC..SBendtrans-125.3-159.5175.4-1620000111.3L260 A267 F268 Y334 D338L260-T264 WeakPolarHBondContact O-CG2 3.4Å; L260-T264 PolarHBondContact O-N 2.81Å; T264-A267 PolarHBondContact O-N 3.46Å; T264-A267 VanDerWaalsContact O-N 3.16Å; T264-F268 PolarHBondContact O-N 3.32Å; T264-Y334 HydrophobicContact CG2-CD1 4.41Å; T264-D338 WeakPolarHBondContact CB-OD1 3.29Å; T264-D338 HydrophobicContact CG2-CB 4.21Å; T264-D338 WeakPolarHBondContact OG1-CA 3.42Å; T264-D338 WeakPolarHBondContact OG1-CB 3.43Å; T264-D338 PolarHBondContact OG1-OD1 2.69Å
265Y95.4Very high95Very high0 Ų015.3 Ų15.30%09%0.085CC..THydrogen-bonded Turntrans-58.1134.8176.1-176.9-91.5000111.2F268 Y334 L337 F341 L406 L409 I423Y265-F268 AromaticContact CD2-CE2 3.95Å; Y265-F268 HydrophobicContact CD2-CE2 3.95Å; Y265-F268 HydrophobicContact CD2-CZ 4.21Å; Y265-Y334 WeakPolarHBondContact O-CD1 3.19Å; Y265-Y334 WeakPolarHBondContact O-CE1 3.12Å; Y265-L337 HydrophobicContact CD1-CD1 3.77Å; Y265-L337 HydrophobicContact CE1-CD1 4.39Å; Y265-F341 AromaticContact CD2-CE2 3.49Å; Y265-F341 HydrophobicContact CD2-CE2 3.49Å; Y265-F341 VanDerWaalsContact CD2-CE2 3.49Å; Y265-F341 AromaticContact CD2-CZ 3.55Å; Y265-F341 HydrophobicContact CD2-CZ 3.55Å; Y265-F341 HydrophobicContact CE2-CE2 4.39Å; Y265-F341 HydrophobicContact CE2-CZ 4.22Å; Y265-F341 AromaticContact CG-CE2 3.79Å; Y265-F341 HydrophobicContact CG-CE2 3.79Å; Y265-F341 HydrophobicContact CG-CZ 4.3Å; Y265-L406 HydrophobicContact CE1-CD2 4.49Å; Y265-L409 HydrophobicContact CD1-CD2 4.39Å; Y265-L409 HydrophobicContact CE1-CD2 3.62Å; Y265-I423 HydrophobicContact CD2-CD1 3.79Å; Y265-I423 HydrophobicContact CE2-CD1 3.28Å
266P95.5Very high95Very high1 Ų115.6 Ų15.61%0.0069%0.087CC..THydrogen-bonded Turncis-94.1-13.18.835-36.4000116.1Y49 L140 L143 F144 A261Y49-P266 HydrophobicContact CE1-CG 4.25Å; L140-P266 HydrophobicContact CD1-CG 4.29Å; L143-P266 HydrophobicContact CD2-CB 4.33Å; L143-P266 HydrophobicContact CD2-CG 4.33Å; F144-P266 HydrophobicContact CE2-CB 4.08Å; F144-P266 HydrophobicContact CE2-CG 3.96Å; F144-P266 HydrophobicContact CZ-CB 3.74Å; F144-P266 HydrophobicContact CZ-CG 4.06Å; A261-P266 WeakPolarHBondContact O-CD 3.5Å
267A96.6Very high95Very high0 Ų019 Ų190%011%0.105CC..THydrogen-bonded Turntrans-86.3-39-163.900000114.1L143 A207 A261 I262 T264 A269 R428L143-A267 HydrophobicContact CD2-CB 4.21Å; A207-A267 HydrophobicContact CB-CB 3.62Å; A207-A267 WeakPolarHBondContact CB-O 3.37Å; A261-A267 WeakPolarHBondContact O-CB 3.49Å; A261-A267 PolarHBondContact O-N 3.35Å; I262-A267 HydrophobicContact CB-CB 4.34Å; I262-A267 HydrophobicContact CG2-CB 4.27Å; T264-A267 PolarHBondContact O-N 3.46Å; T264-A267 VanDerWaalsContact O-N 3.16Å; A267-A269 HydrophobicContact CB-CB 4.36Å; A267-A269 PolarHBondContact O-N 3.36Å; A267-R428 VanDerWaalsContact O-CZ 3.24Å; A267-R428 PolarHBondContact O-NE 2.8Å; A267-R428 PolarHBondContact O-NH2 3.16Å
268F96.4Very high95Very high15 Ų1523 Ų237%0.06613%0.125CC..  trans46.242.8-173.5-54.3-77.6000113.2I262 T264 Y265 V270 F341 R428 R429 S431I262-F268 CarbonylContact O-C 3.5Å; I262-F268 PolarHBondContact O-N 2.96Å; T264-F268 PolarHBondContact O-N 3.32Å; Y265-F268 AromaticContact CD2-CE2 3.95Å; Y265-F268 HydrophobicContact CD2-CE2 3.95Å; Y265-F268 HydrophobicContact CD2-CZ 4.21Å; F268-V270 VanDerWaalsContact C-N 3.35Å; F268-V270 PolarHBondContact O-N 2.98Å; F268-F341 HydrophobicContact CE1-CB 4.36Å; F268-F341 HydrophobicContact CE1-CD1 4.26Å; F268-F341 HydrophobicContact CE1-CG 4.19Å; F268-F341 HydrophobicContact CE2-CD1 4.45Å; F268-F341 HydrophobicContact CE2-CE1 4.14Å; F268-F341 HydrophobicContact CE2-CZ 4.25Å; F268-F341 HydrophobicContact CZ-CB 4.38Å; F268-F341 AromaticContact CZ-CD1 3.62Å; F268-F341 HydrophobicContact CZ-CD1 3.62Å; F268-F341 AromaticContact CZ-CD2 3.93Å; F268-F341 HydrophobicContact CZ-CD2 3.93Å; F268-F341 AromaticContact CZ-CE1 3.7Å; F268-F341 HydrophobicContact CZ-CE1 3.7Å; F268-F341 HydrophobicContact CZ-CE2 4.03Å; F268-F341 AromaticContact CZ-CG 3.72Å; F268-F341 HydrophobicContact CZ-CG 3.72Å; F268-F341 AromaticContact CZ-CZ 3.89Å; F268-F341 HydrophobicContact CZ-CZ 3.89Å; F268-R428 HydrophobicContact CB-CB 4.21Å; F268-R428 WeakPolarHBondContact CB-O 3.45Å; F268-R428 HydrophobicContact CD2-CB 3.96Å; F268-R429 HydrophobicContact CD1-CB 4.26Å; F268-R429 HydrophobicContact CD2-CB 4.3Å; F268-R429 HydrophobicContact CE1-CB 4.03Å; F268-R429 HydrophobicContact CE2-CB 4.05Å; F268-R429 HydrophobicContact CG-CB 4.38Å; F268-R429 HydrophobicContact CZ-CB 3.91Å; F268-S431 WeakPolarHBondContact O-CB 3.48Å; F268-S431 PolarHBondContact O-OG 3.12Å
269A95.7Very high95.1Very high0 Ų022.9 Ų22.90%012%0.124CC..  trans-76.1-21.2-168.200000113.5G203 K206 A207 Q239 L242 I262 A267G203-A269 VanDerWaalsContact O-CB 3.24Å; G203-A269 WeakPolarHBondContact O-CB 3.42Å; K206-A269 HydrophobicContact CD-CB 4.37Å; K206-A269 WeakPolarHBondContact CD-O 3.29Å; K206-A269 PolarHBondContact NZ-O 2.95Å; A207-A269 HydrophobicContact CB-CB 4.46Å; Q239-A269 PolarHBondContact OE1-O 3.06Å; L242-A269 HydrophobicContact CD2-CB 4.02Å; I262-A269 HydrophobicContact CB-CB 4.28Å; I262-A269 PolarHBondContact O-N 2.68Å; A267-A269 HydrophobicContact CB-CB 4.36Å; A267-A269 PolarHBondContact O-N 3.36Å
270V94.3Very high95.1Very high1 Ų124.4 Ų24.41%0.00613%0.13CC..  trans-95.4125.3-175.8-176.50000110.5L242 L246 I263 F268 I275 V276 T432L242-V270 HydrophobicContact CD2-CG2 3.74Å; L242-V270 HydrophobicContact CG-CG2 4.18Å; L246-V270 HydrophobicContact CD1-CG2 3.48Å; L246-V270 VanDerWaalsContact CD1-CG2 3.48Å; I263-V270 HydrophobicContact CG2-CG2 3.92Å; F268-V270 VanDerWaalsContact C-N 3.35Å; F268-V270 PolarHBondContact O-N 2.98Å; V270-I275 HydrophobicContact CG1-CB 4.22Å; V270-I275 HydrophobicContact CG1-CG2 4.17Å; V270-V276 HydrophobicContact CB-CG2 3.79Å; V270-V276 HydrophobicContact CG1-CG2 3.75Å; V270-T432 VanDerWaalsContact O-CG2 3.27Å; V270-T432 WeakPolarHBondContact O-CG2 3.36Å
271E89.9Confident95Very high34 Ų3430.9 Ų30.916%0.15916%0.161CC..  trans-87.3-19.1-178.5-66.3170-142.300113.8K206 T432 R555K206-E271 IonicContact NZ-OE1 2.86Å; K206-E271 PolarHBondContact NZ-OE1 3.37Å; E271-T432 WeakPolarHBondContact O-CA 3.49Å; E271-R555 IonicContact OE2-CZ 2.96Å; E271-R555 IonicContact OE2-NE 3.39Å; E271-R555 PolarHBondContact OE2-NE 3.28Å; E271-R555 IonicContact OE2-NH2 3.12Å
272D90.5Very high95.1Very high70 Ų7033.4 Ų33.437%0.37417%0.172SC..  trans-96.8111.5-178.5-169.9-27000111.2S274 I275 V276D272-S274 VanDerWaalsContact CG-OG 3.25Å; D272-S274 PolarHBondContact O-N 3.39Å; D272-S274 VanDerWaalsContact OD1-CB 3.3Å; D272-S274 WeakPolarHBondContact OD1-CB 3.45Å; D272-S274 PolarHBondContact OD1-N 3.31Å; D272-S274 PolarHBondContact OD1-OG 3.17Å; D272-S274 PolarHBondContact OD2-OG 3.08Å; D272-I275 HydrophobicContact CB-CB 4.23Å; D272-I275 HydrophobicContact CB-CD1 3.9Å; D272-I275 HydrophobicContact CB-CG1 3.97Å; D272-I275 PolarHBondContact O-N 2.68Å; D272-I275 VanDerWaalsContact O-N 3.16Å; D272-V276 WeakPolarHBondContact O-CG2 3.24Å; D272-V276 PolarHBondContact O-N 3.06Å
273M91.8Very high95.1Very high85 Ų8533.5 Ų33.542%0.41917%0.172SC..Hα-helixtrans-61.5-30179.6-173.456.169.400113.1I275 V276 N277 T432M273-I275 VanDerWaalsContact C-N 3.34Å; M273-V276 PolarHBondContact O-N 2.97Å; M273-V276 HydrophobicContact SD-CB 4.28Å; M273-V276 HydrophobicContact SD-CG1 4.28Å; M273-N277 WeakPolarHBondContact O-CB 3.48Å; M273-N277 VanDerWaalsContact O-CG 3.32Å; M273-N277 PolarHBondContact O-N 3.17Å; M273-N277 PolarHBondContact O-ND2 3.08Å; M273-T432 HydrophobicContact CE-CG2 3.84Å; M273-T432 VanDerWaalsContact CE-OG1 3.3Å; M273-T432 WeakPolarHBondContact CE-OG1 3.49Å
274S94.1Very high95.1Very high74 Ų7435.6 Ų35.652%0.51718%0.183SC..Hα-helixtrans-66.1-40.2176.971.60000111.4D272 M278D272-S274 VanDerWaalsContact CG-OG 3.25Å; D272-S274 PolarHBondContact O-N 3.39Å; D272-S274 VanDerWaalsContact OD1-CB 3.3Å; D272-S274 WeakPolarHBondContact OD1-CB 3.45Å; D272-S274 PolarHBondContact OD1-N 3.31Å; D272-S274 PolarHBondContact OD1-OG 3.17Å; D272-S274 PolarHBondContact OD2-OG 3.08Å; S274-M278 VanDerWaalsContact O-CB 3.28Å; S274-M278 WeakPolarHBondContact O-CB 3.38Å; S274-M278 PolarHBondContact O-N 2.92Å
275I94.1Very high95.2Very high16 Ų1639.5 Ų39.58%0.08221%0.21CC..Hα-helixtrans-69.4-41.6176.5-60.5-179.9000110.4T243 L246 V270 D272 M273 T279T243-I275 HydrophobicContact CG2-CD1 3.61Å; L246-I275 HydrophobicContact CB-CG2 3.65Å; L246-I275 HydrophobicContact CD1-CG2 4.04Å; V270-I275 HydrophobicContact CG1-CB 4.22Å; V270-I275 HydrophobicContact CG1-CG2 4.17Å; D272-I275 HydrophobicContact CB-CB 4.23Å; D272-I275 HydrophobicContact CB-CD1 3.9Å; D272-I275 HydrophobicContact CB-CG1 3.97Å; D272-I275 PolarHBondContact O-N 2.68Å; D272-I275 VanDerWaalsContact O-N 3.16Å; M273-I275 VanDerWaalsContact C-N 3.34Å; I275-T279 VanDerWaalsContact O-CB 3.24Å; I275-T279 WeakPolarHBondContact O-CB 3.41Å; I275-T279 PolarHBondContact O-N 3.22Å; I275-T279 PolarHBondContact O-OG1 3.41Å
276V95.6Very high95.2Very high8 Ų843.4 Ų43.45%0.04823%0.227CC..Hα-helixtrans-56.5-51.3175.1170.60000110.6I263 V270 D272 M273 T279 K280 T432I263-V276 HydrophobicContact CB-CG1 4.33Å; I263-V276 HydrophobicContact CB-CG2 4.41Å; V270-V276 HydrophobicContact CB-CG2 3.79Å; V270-V276 HydrophobicContact CG1-CG2 3.75Å; D272-V276 WeakPolarHBondContact O-CG2 3.24Å; D272-V276 PolarHBondContact O-N 3.06Å; M273-V276 PolarHBondContact O-N 2.97Å; M273-V276 HydrophobicContact SD-CB 4.28Å; M273-V276 HydrophobicContact SD-CG1 4.28Å; V276-T279 PolarHBondContact O-N 3.33Å; V276-K280 WeakPolarHBondContact O-CB 3.48Å; V276-K280 PolarHBondContact O-N 3.19Å; V276-T432 HydrophobicContact CG2-CG2 4.48Å
277N95.6Very high95.2Very high75 Ų7543.5 Ų43.540%0.40123%0.228SC..Hα-helixtrans-65.6-46.5-178.4-71.6-25.6000112.3M273 T279 K280 E281M273-N277 WeakPolarHBondContact O-CB 3.48Å; M273-N277 VanDerWaalsContact O-CG 3.32Å; M273-N277 PolarHBondContact O-N 3.17Å; M273-N277 PolarHBondContact O-ND2 3.08Å; N277-T279 VanDerWaalsContact C-N 3.32Å; N277-T279 PolarHBondContact O-N 3Å; N277-K280 PolarHBondContact O-N 2.82Å; N277-E281 WeakPolarHBondContact O-CB 3.16Å; N277-E281 PolarHBondContact O-N 3.39Å
278M96.2Very high95.2Very high84 Ų8446.2 Ų46.241%0.41424%0.241SC..Hα-helixtrans-59.1-43.5176.5178.4-176.857.600111.6P247 S274 E281 E282P247-M278 HydrophobicContact CG-CE 4.37Å; S274-M278 VanDerWaalsContact O-CB 3.28Å; S274-M278 WeakPolarHBondContact O-CB 3.38Å; S274-M278 PolarHBondContact O-N 2.92Å; M278-E281 PolarHBondContact O-N 3.02Å; M278-E282 WeakPolarHBondContact O-CG 3.28Å; M278-E282 PolarHBondContact O-N 3.41Å
279T96.8Very high95.1Very high0 Ų046.2 Ų46.20%024%0.244CC..Hα-helixtrans-65.9-42.4178.7-55.10000111.5L246 P247 V259 I263 I275 V276 N277 E282 I283L246-T279 HydrophobicContact CD2-CG2 4.16Å; P247-T279 HydrophobicContact CB-CG2 4.15Å; V259-T279 HydrophobicContact CG1-CG2 3.65Å; I263-T279 HydrophobicContact CD1-CG2 4.23Å; I263-T279 HydrophobicContact CG2-CG2 4.36Å; I275-T279 VanDerWaalsContact O-CB 3.24Å; I275-T279 WeakPolarHBondContact O-CB 3.41Å; I275-T279 PolarHBondContact O-N 3.22Å; I275-T279 PolarHBondContact O-OG1 3.41Å; V276-T279 PolarHBondContact O-N 3.33Å; N277-T279 VanDerWaalsContact C-N 3.32Å; N277-T279 PolarHBondContact O-N 3Å; T279-E282 PolarHBondContact O-N 3.32Å; T279-I283 HydrophobicContact CG2-CD1 4.1Å; T279-I283 VanDerWaalsContact O-CG1 3.31Å; T279-I283 WeakPolarHBondContact O-CG1 3.46Å; T279-I283 PolarHBondContact O-N 2.91Å
280K96.5Very high95.1Very high32 Ų3251.2 Ų51.214%0.13926%0.263CS..Hα-helixtrans-62.2-43.8176.1-174.316769.2-174.70111.6I263 V276 N277 I283 I284 L335 D338I263-K280 HydrophobicContact CD1-CB 4.06Å; V276-K280 WeakPolarHBondContact O-CB 3.48Å; V276-K280 PolarHBondContact O-N 3.19Å; N277-K280 PolarHBondContact O-N 2.82Å; K280-I283 PolarHBondContact O-N 2.82Å; K280-I284 HydrophobicContact CG-CD1 3.81Å; K280-I284 VanDerWaalsContact O-CG1 3.32Å; K280-I284 WeakPolarHBondContact O-CG1 3.17Å; K280-I284 PolarHBondContact O-N 2.91Å; K280-L335 HydrophobicContact CD-CD2 4.41Å; K280-D338 IonicContact NZ-OD2 3.02Å; K280-D338 PolarHBondContact NZ-OD2 2.79Å
281E96.8Very high95.2Very high137 Ų13752.6 Ų52.664%0.6427%0.269SS*.Hα-helixtrans-63.7-42177.5-173.6175.7-174.400112.2N277 M278 I283 I284 S285N277-E281 WeakPolarHBondContact O-CB 3.16Å; N277-E281 PolarHBondContact O-N 3.39Å; M278-E281 PolarHBondContact O-N 3.02Å; E281-I283 PolarHBondContact O-N 3.03Å; E281-I284 PolarHBondContact O-N 3.06Å; E281-S285 WeakPolarHBondContact O-CB 3.31Å; E281-S285 PolarHBondContact O-N 2.68Å; E281-S285 PolarHBondContact O-OG 3.3Å
282E96.4Very high95.5Very high59 Ų5951 Ų5128%0.27626%0.261SS..Hα-helixtrans-62.7-41.1174.5-76.2-74.2146.400112.2P247 V255 M278 T279 S285 K286P247-E282 HydrophobicContact CB-CB 4.29Å; P247-E282 HydrophobicContact CB-CG 4.14Å; P247-E282 HydrophobicContact CG-CG 4.12Å; V255-E282 HydrophobicContact CG2-CB 4.45Å; M278-E282 WeakPolarHBondContact O-CG 3.28Å; M278-E282 PolarHBondContact O-N 3.41Å; T279-E282 PolarHBondContact O-N 3.32Å; E282-S285 WeakPolarHBondContact CA-OG 3.47Å; E282-S285 PolarHBondContact O-OG 3.01Å; E282-K286 WeakPolarHBondContact O-CB 3.48Å; E282-K286 PolarHBondContact O-N 3.35Å; E282-K286 VanDerWaalsContact O-N 3.1Å; E282-K286 WeakPolarHBondContact OE2-CD 3.45Å; E282-K286 WeakPolarHBondContact OE2-CE 3.39Å; E282-K286 IonicContact OE2-NZ 3.63Å; E282-K286 PolarHBondContact OE2-NZ 3.45Å
283I97.4Very high95.8Very high1 Ų147.7 Ų47.71%0.00524%0.243CC..Hα-helixtrans-64.5-48.9176.2-68.8167000110.5V255 A257 V259 L260 T279 K280 E281 L287V255-I283 HydrophobicContact CG2-CB 4.47Å; V255-I283 HydrophobicContact CG2-CG1 3.77Å; A257-I283 HydrophobicContact CB-CG2 4.1Å; V259-I283 HydrophobicContact CB-CD1 4.22Å; L260-I283 HydrophobicContact CD1-CG2 4.29Å; L260-I283 HydrophobicContact CD2-CD1 4.1Å; L260-I283 HydrophobicContact CG-CD1 4.05Å; L260-I283 HydrophobicContact CG-CG2 4.38Å; T279-I283 HydrophobicContact CG2-CD1 4.1Å; T279-I283 VanDerWaalsContact O-CG1 3.31Å; T279-I283 WeakPolarHBondContact O-CG1 3.46Å; T279-I283 PolarHBondContact O-N 2.91Å; K280-I283 PolarHBondContact O-N 2.82Å; E281-I283 PolarHBondContact O-N 3.03Å; I283-L287 HydrophobicContact CG2-CD1 4.43Å; I283-L287 WeakPolarHBondContact O-CA 3.41Å; I283-L287 VanDerWaalsContact O-CB 3.26Å; I283-L287 WeakPolarHBondContact O-CB 3.29Å; I283-L287 PolarHBondContact O-N 3.27Å
284I96.7Very high96.1Very high53 Ų5344.2 Ų44.227%0.27223%0.227SC..Hα-helixtrans-64.5-48.2-178.7-68.8169.5000110.3K280 E281 K286 Q288 L335K280-I284 HydrophobicContact CG-CD1 3.81Å; K280-I284 VanDerWaalsContact O-CG1 3.32Å; K280-I284 WeakPolarHBondContact O-CG1 3.17Å; K280-I284 PolarHBondContact O-N 2.91Å; E281-I284 PolarHBondContact O-N 3.06Å; I284-K286 PolarHBondContact O-N 2.83Å; I284-Q288 HydrophobicContact CG2-CB 4.48Å; I284-Q288 WeakPolarHBondContact O-CB 3.25Å; I284-Q288 PolarHBondContact O-N 3Å; I284-L335 HydrophobicContact CD1-CD2 4.43Å
285S96.3Very high96.2Very high85 Ų8541.1 Ų41.159%0.59420%0.204SC*.Hα-helixtrans-67.3-33.8-175.7590000114E281 E282E281-S285 WeakPolarHBondContact O-CB 3.31Å; E281-S285 PolarHBondContact O-N 2.68Å; E281-S285 PolarHBondContact O-OG 3.3Å; E282-S285 WeakPolarHBondContact CA-OG 3.47Å; E282-S285 PolarHBondContact O-OG 3.01Å
286K95.5Very high96.2Very high81 Ų8140.3 Ų40.335%0.35220%0.2SC..Hα-helixtrans-101.4-28.9-175.2-67.3179172170.10114.8E254 V255 E282 I284E254-K286 IonicContact OE2-NZ 2.94Å; E254-K286 PolarHBondContact OE2-NZ 2.77Å; E254-K286 VanDerWaalsContact OE2-NZ 3.08Å; V255-K286 HydrophobicContact CG1-CB 4.21Å; V255-K286 HydrophobicContact CG1-CD 4.07Å; E282-K286 WeakPolarHBondContact O-CB 3.48Å; E282-K286 PolarHBondContact O-N 3.35Å; E282-K286 VanDerWaalsContact O-N 3.1Å; E282-K286 WeakPolarHBondContact OE2-CD 3.45Å; E282-K286 WeakPolarHBondContact OE2-CE 3.39Å; E282-K286 IonicContact OE2-NZ 3.63Å; E282-K286 PolarHBondContact OE2-NZ 3.45Å; I284-K286 PolarHBondContact O-N 2.83Å
287L96.7Very high96.2Very high4 Ų441.7 Ų41.72%0.02121%0.207CC..Hα-helixtrans-114.1-18.2-170.7-57.4-179.6000113.9V255 A257 I283 C293 C294 L297V255-L287 HydrophobicContact CB-CD1 4.48Å; V255-L287 HydrophobicContact CG1-CD1 4.05Å; V255-L287 HydrophobicContact CG1-CD2 3.92Å; V255-L287 HydrophobicContact CG1-CG 3.95Å; V255-L287 HydrophobicContact CG2-CD1 3.85Å; V255-L287 HydrophobicContact CG2-CG 4.23Å; A257-L287 HydrophobicContact CB-CD1 3.92Å; I283-L287 HydrophobicContact CG2-CD1 4.43Å; I283-L287 WeakPolarHBondContact O-CA 3.41Å; I283-L287 VanDerWaalsContact O-CB 3.26Å; I283-L287 WeakPolarHBondContact O-CB 3.29Å; I283-L287 PolarHBondContact O-N 3.27Å; L287-C293 HydrophobicContact CB-CB 4.25Å; L287-C293 CarbonylContact O-C 3.39Å; L287-C293 WeakPolarHBondContact O-CA 3.42Å; L287-C294 HydrophobicContact CD2-CB 4.33Å; L287-C294 PolarHBondContact O-N 3.32Å; L287-L297 HydrophobicContact CD2-CD2 3.78Å; L287-L297 HydrophobicContact CD2-CG 3.93Å
288Q95.9Very high96.1Very high57 Ų5738.3 Ų38.327%0.26619%0.189SC..BIsolated β-bridgetrans-72.1133.9-179.5-173.1165.8-62.700111.6I284 Y351I284-Q288 HydrophobicContact CG2-CB 4.48Å; I284-Q288 WeakPolarHBondContact O-CB 3.25Å; I284-Q288 PolarHBondContact O-N 3Å; Q288-Y351 PolarHBondContact OE1-OH 2.79Å; Q288-Y351 VanDerWaalsContact OE1-OH 3.08Å
289G94.5Very high96Very high14 Ų1434.3 Ų34.314%0.14417%0.169CC..  trans-123.8-158.6171.300000112.1G292G289-G292 PolarHBondContact N-O 3Å
290R95Very high95.8Very high106 Ų10634.3 Ų34.340%0.417%0.169SC..SBendtrans-85.2-10.7-175.5-65-166.9-65.1157.9-7.7114.5E327 W332 H388 S389 V390R290-E327 PolarHBondContact N-OE2 3.42Å; R290-W332 VanDerWaalsContact O-CH2 3.27Å; R290-W332 WeakPolarHBondContact O-CH2 3.33Å; R290-H388 VanDerWaalsContact CZ-O 3.28Å; R290-H388 PolarHBondContact NE-O 3.46Å; R290-H388 PolarHBondContact NH2-O 3.02Å; R290-S389 VanDerWaalsContact NH2-C 3.3Å; R290-S389 PolarHBondContact NH2-O 2.97Å; R290-V390 PolarHBondContact NH2-O 2.86Å
291Y96.9Very high95.6Very high30 Ų3034.5 Ų34.512%0.11817%0.17CC..SBendtrans-1295-174.8-60-94.5000112.9E327 P329 I358 Y373 E391 R392Y291-E327 WeakPolarHBondContact CA-OE2 3.27Å; Y291-E327 WeakPolarHBondContact CB-OE2 3.37Å; Y291-E327 WeakPolarHBondContact CD2-OE2 3.2Å; Y291-E327 PolarHBondContact N-OE2 3.26Å; Y291-P329 WeakPolarHBondContact O-CG 2.85Å; Y291-I358 HydrophobicContact CD1-CB 4.38Å; Y291-I358 HydrophobicContact CD1-CG2 3.68Å; Y291-I358 HydrophobicContact CE1-CG2 4.2Å; Y291-I358 VanDerWaalsContact O-CD1 3.29Å; Y291-I358 WeakPolarHBondContact O-CD1 3.43Å; 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 3.78Å; Y291-Y373 HydrophobicContact CD1-CE1 3.78Å; Y291-Y373 HydrophobicContact CD1-CE2 4.43Å; Y291-Y373 AromaticContact CD1-CG 3.72Å; Y291-Y373 HydrophobicContact CD1-CG 3.72Å; Y291-Y373 AromaticContact CE1-CD1 3.93Å; Y291-Y373 HydrophobicContact CE1-CD1 3.93Å; Y291-Y373 HydrophobicContact CE1-CE1 4.16Å; Y291-Y373 HydrophobicContact CG-CD1 4.07Å; Y291-Y373 HydrophobicContact CG-CD2 4.31Å; Y291-Y373 AromaticContact CG-CG 3.87Å; Y291-Y373 HydrophobicContact CG-CG 3.87Å; Y291-E391 WeakPolarHBondContact OH-CA 3.07Å; Y291-R392 HydrophobicContact CD2-CB 3.97Å; Y291-R392 HydrophobicContact CD2-CG 4.14Å; Y291-R392 HydrophobicContact CE2-CB 3.71Å; Y291-R392 HydrophobicContact CE2-CG 3.92Å; Y291-R392 PolarHBondContact OH-N 2.96Å
292G96.5Very high95.4Very high0 Ų031 Ų310%015%0.153CC..SBendtrans147.9-154-176.200000111.7G289 W328 W332G289-G292 PolarHBondContact N-O 3Å; G292-W328 WeakPolarHBondContact CA-O 3.4Å; G292-W332 VanDerWaalsContact N-CZ2 3.3Å
293C97.4Very high95.3Very high0 Ų028.6 Ų28.60%014%0.142CC..BIsolated β-bridgetrans-114.8147.5169.7-51.10000111.1A257 L287 W328 F331A257-C293 HydrophobicContact CB-CB 4.19Å; L287-C293 HydrophobicContact CB-CB 4.25Å; L287-C293 CarbonylContact O-C 3.39Å; L287-C293 WeakPolarHBondContact O-CA 3.42Å; C293-W328 PolarHBondContact N-O 3.19Å; C293-W328 WeakPolarHBondContact O-CB 3.41Å; C293-W328 PolarHBondContact O-N 2.66Å; C293-F331 HydrophobicContact CB-CB 3.84Å; C293-F331 HydrophobicContact CB-CD2 3.62Å; C293-F331 HydrophobicContact CB-CE2 4.48Å; C293-F331 HydrophobicContact CB-CG 4Å; C293-F331 VanDerWaalsContact O-CD2 3.27Å; C293-F331 WeakPolarHBondContact O-CD2 3.27Å; C293-F331 WeakPolarHBondContact O-CE2 3.37Å
294C96.9Very high95.1Very high12 Ų1230.4 Ų30.48%0.08115%0.154CC..  trans-65.2153.2164-58.60000109.7A257 L287 E325A257-C294 WeakPolarHBondContact CB-O 3.28Å; L287-C294 HydrophobicContact CD2-CB 4.33Å; L287-C294 PolarHBondContact O-N 3.32Å; C294-E325 HydrophobicContact CB-CB 4.08Å
295R96.1Very high94.9Very high9 Ų933.6 Ų33.63%0.03416%0.163CC..SBendtrans-66.2-50.4178.5-62.1-173.5-61.6169.814.9111W184 D256 A257 D299 W328 F331W184-R295 HydrophobicContact CD2-CG 4.45Å; W184-R295 HydrophobicContact CH2-CG 4.1Å; W184-R295 HydrophobicContact CZ2-CB 4.13Å; W184-R295 HydrophobicContact CZ2-CG 3.98Å; W184-R295 HydrophobicContact CZ3-CG 4.39Å; D256-R295 CarbonylContact C-O 3.58Å; D256-R295 VanDerWaalsContact CA-O 3.31Å; D256-R295 WeakPolarHBondContact CA-O 3.4Å; A257-R295 PolarHBondContact N-O 2.88Å; R295-D299 IonicContact CZ-OD1 2.62Å; R295-D299 IonicContact CZ-OD2 2.89Å; R295-D299 IonicContact NE-OD2 2.7Å; R295-D299 PolarHBondContact NE-OD2 2.93Å; R295-D299 IonicContact NH2-OD1 3.22Å; R295-D299 PolarHBondContact NH2-OD1 3.29Å; R295-D299 IonicContact NH2-OD2 3.9Å; R295-D299 PolarHBondContact NH2-OD2 3.04Å; R295-W328 HydrophobicContact CG-CD2 4.24Å; R295-W328 HydrophobicContact CG-CG 4.25Å; R295-F331 HydrophobicContact CG-CE2 4.22Å; R295-F331 HydrophobicContact CG-CZ 4.26Å
296F95.4Very high94.7Very high0 Ų031.4 Ų31.40%014%0.143CC..BIsolated β-bridgetrans-157.2166.1172.450.4-96.3000109.1W184 K189 K253 V255 D256 D299W184-F296 HydrophobicContact CB-CE1 4.49Å; W184-F296 AromaticContact CD1-CD1 3.84Å; W184-F296 AromaticContact CD1-CE1 3.7Å; W184-F296 HydrophobicContact CG-CE1 4.21Å; K189-F296 HydrophobicContact CD-CD2 4.33Å; K189-F296 HydrophobicContact CD-CE2 4.46Å; K189-F296 HydrophobicContact CG-CD2 4.21Å; K189-F296 HydrophobicContact CG-CE2 4Å; K253-F296 HydrophobicContact CD-CB 4.49Å; K253-F296 HydrophobicContact CD-CD1 4Å; K253-F296 HydrophobicContact CD-CE1 4.41Å; K253-F296 HydrophobicContact CD-CG 4.12Å; K253-F296 HydrophobicContact CG-CG 4.46Å; V255-F296 VanDerWaalsContact O-CB 3.31Å; V255-F296 WeakPolarHBondContact O-CB 3.45Å; D256-F296 HydrophobicContact CB-CB 4.4Å; F296-D299 HydrophobicContact CD2-CB 3.82Å; F296-D299 HydrophobicContact CE1-CB 4.48Å; F296-D299 HydrophobicContact CE2-CB 3.59Å; F296-D299 HydrophobicContact CG-CB 4.37Å; F296-D299 HydrophobicContact CZ-CB 3.94Å; F296-D299 VanDerWaalsContact O-CB 3.31Å; F296-D299 WeakPolarHBondContact O-CB 3.45Å; F296-D299 PolarHBondContact O-N 3.36Å
297L94.4Very high94.4Very high36 Ų3630.7 Ų30.719%0.18814%0.143CC..THydrogen-bonded Turntrans-63.9138-179.9-63.7174.6000112.1K189 E254 V255 L287 D299K189-L297 WeakPolarHBondContact CE-O 3.34Å; K189-L297 PolarHBondContact NZ-O 3.49Å; K189-L297 VanDerWaalsContact NZ-O 3.11Å; E254-L297 HydrophobicContact CG-CD1 4.07Å; E254-L297 WeakPolarHBondContact OE1-CD1 3.27Å; V255-L297 HydrophobicContact CG1-CD1 4.04Å; V255-L297 HydrophobicContact CG1-CG 3.98Å; L287-L297 HydrophobicContact CD2-CD2 3.78Å; L287-L297 HydrophobicContact CD2-CG 3.93Å; L297-D299 VanDerWaalsContact C-N 3.31Å
298R93.5Very high93.8Very high4 Ų435.8 Ų35.82%0.01518%0.176CC..THydrogen-bonded Turntrans62.133.8-177.8-61.8-175.5-178.2169.68.2114.3G300 L318 E322 E325 T1094 R1095 M1097R298-G300 PolarHBondContact O-N 3Å; R298-L318 HydrophobicContact CB-CB 4.42Å; R298-L318 VanDerWaalsContact CB-O 3.32Å; R298-L318 WeakPolarHBondContact CB-O 3.18Å; R298-L318 WeakPolarHBondContact CD-O 3.38Å; R298-L318 WeakPolarHBondContact CG-O 3.16Å; R298-E322 HydrophobicContact CG-CB 4.17Å; R298-E322 HydrophobicContact CG-CG 4.44Å; R298-E322 IonicContact CZ-OE1 3.31Å; R298-E322 IonicContact NE-OE1 3Å; R298-E322 PolarHBondContact NE-OE1 3.32Å; R298-E322 VanDerWaalsContact NE-OE1 3.12Å; R298-E322 IonicContact NH2-OE1 2.78Å; R298-E322 PolarHBondContact NH2-OE1 3.16Å; R298-E325 WeakPolarHBondContact CA-OE1 3.47Å; R298-E325 PolarHBondContact N-OE1 2.95Å; R298-T1094 PolarHBondContact NH1-O 3.23Å; R298-T1094 PolarHBondContact NH2-O 3.01Å; R298-R1095 PolarHBondContact NH1-O 2.88Å; R298-M1097 PolarHBondContact NH1-O 3.1Å
299D93.8Very high93.4Very high0 Ų040.2 Ų40.20%020%0.202CC..  trans-80.2113.5174.1-179.120000111.8R295 F296 L297 H301 T303 E325R295-D299 IonicContact CZ-OD1 2.62Å; R295-D299 IonicContact CZ-OD2 2.89Å; R295-D299 IonicContact NE-OD2 2.7Å; R295-D299 PolarHBondContact NE-OD2 2.93Å; R295-D299 IonicContact NH2-OD1 3.22Å; R295-D299 PolarHBondContact NH2-OD1 3.29Å; R295-D299 IonicContact NH2-OD2 3.9Å; R295-D299 PolarHBondContact NH2-OD2 3.04Å; F296-D299 HydrophobicContact CD2-CB 3.82Å; F296-D299 HydrophobicContact CE1-CB 4.48Å; F296-D299 HydrophobicContact CE2-CB 3.59Å; F296-D299 HydrophobicContact CG-CB 4.37Å; F296-D299 HydrophobicContact CZ-CB 3.94Å; F296-D299 VanDerWaalsContact O-CB 3.31Å; F296-D299 WeakPolarHBondContact O-CB 3.45Å; F296-D299 PolarHBondContact O-N 3.36Å; L297-D299 VanDerWaalsContact C-N 3.31Å; D299-H301 VanDerWaalsContact C-N 3.3Å; D299-H301 PolarHBondContact O-N 2.77Å; D299-H301 WeakPolarHBondContact OD1-CB 3.35Å; D299-H301 PolarHBondContact OD1-N 2.63Å; D299-T303 WeakPolarHBondContact O-CG2 3.31Å; D299-E325 HydrophobicContact CB-CG 4.42Å
300G92.4Very high93Very high0 Ų041.5 Ų41.50%020%0.203CC..  trans-77.5-5.8-179.400000116.1R298 K302 T303 E306 Y313R298-G300 PolarHBondContact O-N 3Å; G300-K302 PolarHBondContact O-N 3.32Å; G300-T303 WeakPolarHBondContact O-CB 3.49Å; G300-T303 WeakPolarHBondContact O-CG2 3.43Å; G300-T303 PolarHBondContact O-N 3.24Å; G300-T303 PolarHBondContact O-OG1 3.27Å; G300-E306 WeakPolarHBondContact O-CB 3.25Å; G300-E306 WeakPolarHBondContact O-CG 3.47Å; G300-Y313 WeakPolarHBondContact CA-OH 3.31Å
301H93.2Very high92.4Very high37 Ų3742.3 Ų42.317%0.17121%0.214CC..THydrogen-bonded Turntrans-65.8120.9-167.3-176.461.6000114.1R186 D299 T303 E306 Y313 C326 W328R186-H301 PolarHBondContact NH2-ND1 3.31Å; D299-H301 VanDerWaalsContact C-N 3.3Å; D299-H301 PolarHBondContact O-N 2.77Å; D299-H301 WeakPolarHBondContact OD1-CB 3.35Å; D299-H301 PolarHBondContact OD1-N 2.63Å; H301-T303 PolarHBondContact O-N 2.6Å; H301-E306 WeakPolarHBondContact CA-OE1 3.36Å; H301-E306 IonicContact ND1-OE1 2.72Å; H301-Y313 PolarHBondContact N-OH 3.17Å; H301-Y313 VanDerWaalsContact N-OH 3.09Å; H301-C326 PolarHBondContact O-SG 2.74Å; H301-C326 VanDerWaalsContact O-SG 3.33Å; H301-W328 AromaticContact CD2-CZ2 3.98Å
302K92.7Very high91.8Very high64 Ų6446.2 Ų46.228%0.27823%0.229SC..THydrogen-bonded Turntrans55.121.2-173.5-55-167.1-169.2172.10114.3G300 E306 C326 E371 L372 S374G300-K302 PolarHBondContact O-N 3.32Å; K302-E306 VanDerWaalsContact CA-OE2 3.25Å; K302-E306 WeakPolarHBondContact CA-OE2 3.32Å; K302-E306 PolarHBondContact N-OE2 3.04Å; K302-C326 VanDerWaalsContact C-SG 3.53Å; K302-C326 PolarHBondContact O-SG 2.86Å; K302-C326 VanDerWaalsContact O-SG 3.35Å; K302-E371 IonicContact NZ-OE1 3.08Å; K302-E371 IonicContact NZ-OE2 3.9Å; K302-E371 PolarHBondContact NZ-OE2 2.95Å; K302-L372 HydrophobicContact CB-CD1 4.34Å; K302-L372 HydrophobicContact CB-CD2 4.17Å; K302-L372 HydrophobicContact CD-CD2 4.06Å; K302-L372 HydrophobicContact CG-CD2 4.37Å; K302-S374 PolarHBondContact O-OG 3.49Å
303T94.2Very high91.3Very high7 Ų746.4 Ų46.44%0.04323%0.23CC..  trans-71.7153.4169.866.60000109.5D299 G300 H301 R305 E306 F321D299-T303 WeakPolarHBondContact O-CG2 3.31Å; G300-T303 WeakPolarHBondContact O-CB 3.49Å; G300-T303 WeakPolarHBondContact O-CG2 3.43Å; G300-T303 PolarHBondContact O-N 3.24Å; G300-T303 PolarHBondContact O-OG1 3.27Å; H301-T303 PolarHBondContact O-N 2.6Å; T303-R305 PolarHBondContact O-N 3.09Å; T303-E306 WeakPolarHBondContact O-CB 3.37Å; T303-E306 PolarHBondContact O-N 3.21Å; T303-E306 PolarHBondContact OG1-N 2.68Å; T303-F321 VanDerWaalsContact OG1-CD1 3.3Å; T303-F321 WeakPolarHBondContact OG1-CD1 3.26Å
304P93Very high90.7Very high40 Ų4051.2 Ų51.226%0.2625%0.252SS..THydrogen-bonded Turntrans-62.4-16.1179.6-26.637.2000115V375 P377 V380P304-V375 HydrophobicContact CG-CB 4.3Å; P304-V375 WeakPolarHBondContact CG-O 3.5Å; P304-P377 HydrophobicContact CB-CB 4.3Å; P304-P377 HydrophobicContact CB-CG 4.34Å; P304-V380 HydrophobicContact CB-CG2 3.61Å; P304-V380 HydrophobicContact CG-CG2 3.81Å
305R92.3Very high89.5Confident120 Ų12052.6 Ų52.645%0.45326%0.263SS..THydrogen-bonded Turntrans-97-4179.4-64.5-63.8-167.6163.6-1.5112.9T303 F321 I324 V380 E381T303-R305 PolarHBondContact O-N 3.09Å; R305-F321 HydrophobicContact CB-CD1 4.26Å; R305-F321 HydrophobicContact CB-CE1 4.07Å; R305-I324 HydrophobicContact CB-CD1 4.11Å; R305-I324 HydrophobicContact CG-CD1 3.67Å; R305-V380 HydrophobicContact CG-CG1 4.32Å; R305-E381 IonicContact CZ-OE1 3.79Å; R305-E381 IonicContact NH2-OE1 3.54Å; R305-E381 PolarHBondContact NH2-OE1 3.49Å
306E92.4Very high88.6Confident39 Ų3954.6 Ų54.618%0.18228%0.281CS..  trans-69.3137.6176.8-162.6-176.1-152.800110.6R186 G300 H301 K302 T303 P308 Y313R186-E306 IonicContact NH2-OE1 3.9Å; G300-E306 WeakPolarHBondContact O-CB 3.25Å; G300-E306 WeakPolarHBondContact O-CG 3.47Å; H301-E306 WeakPolarHBondContact CA-OE1 3.36Å; H301-E306 IonicContact ND1-OE1 2.72Å; K302-E306 VanDerWaalsContact CA-OE2 3.25Å; K302-E306 WeakPolarHBondContact CA-OE2 3.32Å; K302-E306 PolarHBondContact N-OE2 3.04Å; T303-E306 WeakPolarHBondContact O-CB 3.37Å; T303-E306 PolarHBondContact O-N 3.21Å; T303-E306 PolarHBondContact OG1-N 2.68Å; E306-P308 VanDerWaalsContact O-CD 3.27Å; E306-P308 WeakPolarHBondContact O-CD 3.4Å; E306-Y313 HydrophobicContact CG-CE1 3.96Å; E306-Y313 PolarHBondContact OE1-OH 3.29Å; E306-Y313 VanDerWaalsContact OE1-OH 3.07Å
307D88.8Confident88.2Confident66 Ų6656.4 Ų56.435%0.35329%0.289SS..  trans-82.2109.2164.3-178.4-1.8000109.3N309 R310D307-N309 PolarHBondContact O-N 3.24Å; D307-N309 VanDerWaalsContact O-N 3.16Å; D307-N309 WeakPolarHBondContact OD1-CB 3.48Å; D307-N309 PolarHBondContact OD1-N 3.25Å; D307-N309 PolarHBondContact OD1-ND2 2.78Å; D307-R310 HydrophobicContact CB-CB 4.47Å; D307-R310 PolarHBondContact O-N 3.26Å
308P85.1Confident87.9Confident110 Ų11054.9 Ų54.971%0.71428%0.281SS*.THydrogen-bonded Turntrans-70-12-176.530.9-36.9000113.3E306 R310E306-P308 VanDerWaalsContact O-CD 3.27Å; E306-P308 WeakPolarHBondContact O-CD 3.4Å; P308-R310 VanDerWaalsContact C-N 3.32Å
309N87.3Confident87.8Confident151 Ų15157.6 Ų57.681%0.80729%0.293SS*.THydrogen-bonded Turntrans-87-5-179.8-54.4-67.8000112.8D307D307-N309 PolarHBondContact O-N 3.24Å; D307-N309 VanDerWaalsContact O-N 3.16Å; D307-N309 WeakPolarHBondContact OD1-CB 3.48Å; D307-N309 PolarHBondContact OD1-N 3.25Å; D307-N309 PolarHBondContact OD1-ND2 2.78Å
310R86.4Confident87.7Confident41 Ų4161.7 Ų61.716%0.15532%0.315CS..  trans-128.1132.4-173.8-163.4169.676.7177-10.7111.5D307 P308 Y312 E314 E317D307-R310 HydrophobicContact CB-CB 4.47Å; D307-R310 PolarHBondContact O-N 3.26Å; P308-R310 VanDerWaalsContact C-N 3.32Å; R310-Y312 VanDerWaalsContact CD-CZ 3.42Å; R310-Y312 HydrophobicContact CG-CD1 3.7Å; R310-Y312 HydrophobicContact CG-CD2 4.4Å; R310-Y312 HydrophobicContact CG-CE1 3.61Å; R310-Y312 HydrophobicContact CG-CE2 4.33Å; R310-Y312 HydrophobicContact CG-CG 4.11Å; R310-Y312 WeakPolarHBondContact CG-O 3.33Å; R310-Y312 PolarHBondContact NE-O 3.05Å; R310-E314 IonicContact CZ-OE1 3.59Å; R310-E314 IonicContact NH1-OE1 3.3Å; R310-E314 PolarHBondContact NH1-OE1 3.4Å; R310-E314 IonicContact NH2-OE1 3.69Å; R310-E317 IonicContact CZ-OE1 2.74Å; R310-E317 IonicContact CZ-OE2 3.63Å; R310-E317 IonicContact NH2-OE1 2.93Å; R310-E317 PolarHBondContact NH2-OE1 3.05Å; R310-E317 IonicContact NH2-OE2 3.75Å; R310-E317 PolarHBondContact NH2-OE2 2.99Å
311L80.9Confident87.7Confident123 Ų12361.7 Ų61.764%0.64432%0.315SS*.SBendtrans-79.2-36.1178.6-79157.9000112.6N191N191-L311 PolarHBondContact ND2-O 3.09Å
312Y84.9Confident87.7Confident111 Ų11162.4 Ų62.444%0.43532%0.318SS..SBendtrans-92.4155.9-179.469.4-92000111.9T190 N191 R310T190-Y312 WeakPolarHBondContact O-CA 3.37Å; N191-Y312 WeakPolarHBondContact O-CB 3.46Å; R310-Y312 VanDerWaalsContact CD-CZ 3.42Å; R310-Y312 HydrophobicContact CG-CD1 3.7Å; R310-Y312 HydrophobicContact CG-CD2 4.4Å; R310-Y312 HydrophobicContact CG-CE1 3.61Å; R310-Y312 HydrophobicContact CG-CE2 4.33Å; R310-Y312 HydrophobicContact CG-CG 4.11Å; R310-Y312 WeakPolarHBondContact CG-O 3.33Å; R310-Y312 PolarHBondContact NE-O 3.05Å
313Y86.9Confident87.7Confident4 Ų462.1 Ų62.12%0.01632%0.319CS..PPolyproline II helixtrans-101.6143.2172.7-56.3-42000111.1R186 T190 G300 H301 E306 E317 L318 F321R186-Y313 VanDerWaalsContact CZ-OH 3.28Å; R186-Y313 PolarHBondContact NH1-OH 3.47Å; R186-Y313 PolarHBondContact NH2-OH 3.45Å; T190-Y313 PolarHBondContact O-N 3.19Å; G300-Y313 WeakPolarHBondContact CA-OH 3.31Å; H301-Y313 PolarHBondContact N-OH 3.17Å; H301-Y313 VanDerWaalsContact N-OH 3.09Å; E306-Y313 HydrophobicContact CG-CE1 3.96Å; E306-Y313 PolarHBondContact OE1-OH 3.29Å; E306-Y313 VanDerWaalsContact OE1-OH 3.07Å; Y313-E317 WeakPolarHBondContact CA-OE2 3.45Å; Y313-L318 HydrophobicContact CD2-CD2 3.61Å; Y313-L318 HydrophobicContact CE2-CD2 4.41Å; Y313-L318 HydrophobicContact CG-CD2 4.23Å; Y313-F321 AromaticContact CD1-CE2 3.93Å; Y313-F321 HydrophobicContact CD1-CE2 3.93Å; Y313-F321 HydrophobicContact CD1-CZ 4.07Å; Y313-F321 HydrophobicContact CD2-CE2 4.03Å; Y313-F321 HydrophobicContact CE1-CE2 4.11Å; Y313-F321 HydrophobicContact CE1-CZ 4.16Å; Y313-F321 HydrophobicContact CE2-CE2 4.11Å; Y313-F321 AromaticContact CG-CE2 3.9Å; Y313-F321 HydrophobicContact CG-CE2 3.9Å; Y313-F321 HydrophobicContact CG-CZ 4.47Å
314E83.9Confident87.8Confident101 Ų10161.8 Ų61.847%0.47232%0.317SS..PPolyproline II helixtrans-71.6143.1163.7-84.7171.2-146.800109.7R310 A316 E317R310-E314 IonicContact CZ-OE1 3.59Å; R310-E314 IonicContact NH1-OE1 3.3Å; R310-E314 PolarHBondContact NH1-OE1 3.4Å; R310-E314 IonicContact NH2-OE1 3.69Å; E314-A316 PolarHBondContact O-N 3.44Å; E314-E317 HydrophobicContact CB-CG 3.89Å; E314-E317 PolarHBondContact N-OE2 2.87Å; E314-E317 VanDerWaalsContact O-CB 3.31Å; E314-E317 WeakPolarHBondContact O-CB 3.48Å; E314-E317 PolarHBondContact O-N 3.46Å
315S72.4Confident87.9Confident42 Ų4260.5 Ų60.529%0.29431%0.308SS..THydrogen-bonded Turntrans-42.5-41.5175.9-77.30000115.8E1096S315-E1096 VanDerWaalsContact CB-CD 3.44Å; S315-E1096 WeakPolarHBondContact CB-OE1 3.47Å; S315-E1096 WeakPolarHBondContact O-CA 3.28Å; S315-E1096 VanDerWaalsContact O-CG 3.28Å; S315-E1096 WeakPolarHBondContact O-CG 3.41Å; S315-E1096 PolarHBondContact OG-OE1 3.43Å
316A77.2Confident88.2Confident50 Ų5054.8 Ų54.841%0.41329%0.286SS..THydrogen-bonded Turntrans-78.6-20.6-179.400000113.5E314E314-A316 PolarHBondContact O-N 3.44Å
317E85.8Confident88.4Confident38 Ų3852.9 Ų52.918%0.17828%0.278CS..THydrogen-bonded Turntrans-72.7-31.2-177.6-67.9177.3161.900112.5R310 Y313 E314 K319 L320 F321R310-E317 IonicContact CZ-OE1 2.74Å; R310-E317 IonicContact CZ-OE2 3.63Å; R310-E317 IonicContact NH2-OE1 2.93Å; R310-E317 PolarHBondContact NH2-OE1 3.05Å; R310-E317 IonicContact NH2-OE2 3.75Å; R310-E317 PolarHBondContact NH2-OE2 2.99Å; Y313-E317 WeakPolarHBondContact CA-OE2 3.45Å; E314-E317 HydrophobicContact CB-CG 3.89Å; E314-E317 PolarHBondContact N-OE2 2.87Å; E314-E317 VanDerWaalsContact O-CB 3.31Å; E314-E317 WeakPolarHBondContact O-CB 3.48Å; E314-E317 PolarHBondContact O-N 3.46Å; E317-K319 PolarHBondContact O-N 3.05Å; E317-K319 VanDerWaalsContact O-N 3.13Å; E317-L320 WeakPolarHBondContact O-CA 3.43Å; E317-L320 VanDerWaalsContact O-CB 3.23Å; E317-L320 WeakPolarHBondContact O-CB 3.29Å; E317-L320 PolarHBondContact O-N 3.41Å; E317-F321 HydrophobicContact CB-CE2 4.07Å; E317-F321 HydrophobicContact CB-CZ 3.96Å; E317-F321 WeakPolarHBondContact O-CD2 3.4Å; E317-F321 PolarHBondContact O-N 3.31Å
318L89.4Confident88.9Confident4 Ų450.2 Ų50.22%0.02126%0.263CS..G310 helixtrans-53.9-38.6180-67-177.2000112.1K189 T190 R298 Y313 L320 F321 E1096K189-L318 HydrophobicContact CB-CD1 4.42Å; T190-L318 HydrophobicContact CG2-CD1 4.05Å; R298-L318 HydrophobicContact CB-CB 4.42Å; R298-L318 VanDerWaalsContact CB-O 3.32Å; R298-L318 WeakPolarHBondContact CB-O 3.18Å; R298-L318 WeakPolarHBondContact CD-O 3.38Å; R298-L318 WeakPolarHBondContact CG-O 3.16Å; Y313-L318 HydrophobicContact CD2-CD2 3.61Å; Y313-L318 HydrophobicContact CE2-CD2 4.41Å; Y313-L318 HydrophobicContact CG-CD2 4.23Å; L318-L320 VanDerWaalsContact C-N 3.29Å; L318-L320 PolarHBondContact O-N 3.22Å; L318-F321 HydrophobicContact CD2-CD2 4.26Å; L318-F321 HydrophobicContact CD2-CE2 4.32Å; L318-F321 PolarHBondContact O-N 2.98Å; L318-E1096 VanDerWaalsContact CD1-O 3.31Å; L318-E1096 WeakPolarHBondContact CD1-O 3.25Å
319K89.9Confident89.5Confident61 Ų6145 Ų4527%0.26523%0.229SC..G310 helixtrans-66.3-30176.6-171.659.7177.4-179.30113E317 F321 E322 R1095E317-K319 PolarHBondContact O-N 3.05Å; E317-K319 VanDerWaalsContact O-N 3.13Å; K319-F321 PolarHBondContact O-N 3.47Å; K319-E322 WeakPolarHBondContact CE-OE2 3.28Å; K319-E322 IonicContact NZ-OE1 3.69Å; K319-E322 PolarHBondContact NZ-OE1 3.24Å; K319-E322 IonicContact NZ-OE2 3.68Å; K319-E322 PolarHBondContact NZ-OE2 2.9Å; K319-E322 WeakPolarHBondContact O-CB 3.16Å; K319-E322 PolarHBondContact O-N 3.45Å; K319-R1095 HydrophobicContact CB-CB 3.91Å; K319-R1095 HydrophobicContact CB-CG 4.46Å; K319-R1095 WeakPolarHBondContact CB-O 3.11Å; K319-R1095 HydrophobicContact CG-CB 4.42Å; K319-R1095 HydrophobicContact CG-CG 4.5Å; K319-R1095 PolarHBondContact N-O 3.35Å
320L91.4Very high89.9Confident86 Ų8637.8 Ų37.845%0.4519%0.19SC..G310 helixtrans-68.4-26177.6-55.7176.9000111.3E317 L318 E322 I324 Y384E317-L320 WeakPolarHBondContact O-CA 3.43Å; E317-L320 VanDerWaalsContact O-CB 3.23Å; E317-L320 WeakPolarHBondContact O-CB 3.29Å; E317-L320 PolarHBondContact O-N 3.41Å; L318-L320 VanDerWaalsContact C-N 3.29Å; L318-L320 PolarHBondContact O-N 3.22Å; L320-E322 VanDerWaalsContact C-N 3.29Å; L320-E322 PolarHBondContact O-N 2.66Å; L320-I324 WeakPolarHBondContact O-CD1 3.31Å; L320-Y384 WeakPolarHBondContact O-CE1 3.49Å; L320-Y384 PolarHBondContact O-OH 3.3Å
321F93.6Very high90.5Very high1 Ų135.9 Ų35.90%0.00418%0.183CC..G310 helixtrans-79.9-13.5179.3-50.6-43.7000113.5T303 R305 Y313 E317 L318 K319 N323 I324 E325T303-F321 VanDerWaalsContact OG1-CD1 3.3Å; T303-F321 WeakPolarHBondContact OG1-CD1 3.26Å; R305-F321 HydrophobicContact CB-CD1 4.26Å; R305-F321 HydrophobicContact CB-CE1 4.07Å; Y313-F321 AromaticContact CD1-CE2 3.93Å; Y313-F321 HydrophobicContact CD1-CE2 3.93Å; Y313-F321 HydrophobicContact CD1-CZ 4.07Å; Y313-F321 HydrophobicContact CD2-CE2 4.03Å; Y313-F321 HydrophobicContact CE1-CE2 4.11Å; Y313-F321 HydrophobicContact CE1-CZ 4.16Å; Y313-F321 HydrophobicContact CE2-CE2 4.11Å; Y313-F321 AromaticContact CG-CE2 3.9Å; Y313-F321 HydrophobicContact CG-CE2 3.9Å; Y313-F321 HydrophobicContact CG-CZ 4.47Å; E317-F321 HydrophobicContact CB-CE2 4.07Å; E317-F321 HydrophobicContact CB-CZ 3.96Å; E317-F321 WeakPolarHBondContact O-CD2 3.4Å; E317-F321 PolarHBondContact O-N 3.31Å; L318-F321 HydrophobicContact CD2-CD2 4.26Å; L318-F321 HydrophobicContact CD2-CE2 4.32Å; L318-F321 PolarHBondContact O-N 2.98Å; K319-F321 PolarHBondContact O-N 3.47Å; F321-N323 PolarHBondContact O-N 3.23Å; F321-I324 VanDerWaalsContact O-CG1 3.29Å; F321-I324 WeakPolarHBondContact O-CG1 3.49Å; F321-I324 PolarHBondContact O-N 2.99Å; F321-I324 VanDerWaalsContact O-N 3.14Å; F321-E325 WeakPolarHBondContact O-CG 3.31Å; F321-E325 PolarHBondContact O-N 3.14Å
322E92.4Very high91.3Very high51 Ų5130.6 Ų30.624%0.23815%0.154CC..THydrogen-bonded Turntrans-60129.6-178.9-164.4-180-106.700111.3R298 K319 L320 I324 Y384R298-E322 HydrophobicContact CG-CB 4.17Å; R298-E322 HydrophobicContact CG-CG 4.44Å; R298-E322 IonicContact CZ-OE1 3.31Å; R298-E322 IonicContact NE-OE1 3Å; R298-E322 PolarHBondContact NE-OE1 3.32Å; R298-E322 VanDerWaalsContact NE-OE1 3.12Å; R298-E322 IonicContact NH2-OE1 2.78Å; R298-E322 PolarHBondContact NH2-OE1 3.16Å; K319-E322 WeakPolarHBondContact CE-OE2 3.28Å; K319-E322 IonicContact NZ-OE1 3.69Å; K319-E322 PolarHBondContact NZ-OE1 3.24Å; K319-E322 IonicContact NZ-OE2 3.68Å; K319-E322 PolarHBondContact NZ-OE2 2.9Å; K319-E322 WeakPolarHBondContact O-CB 3.16Å; K319-E322 PolarHBondContact O-N 3.45Å; L320-E322 VanDerWaalsContact C-N 3.29Å; L320-E322 PolarHBondContact O-N 2.66Å; E322-I324 PolarHBondContact O-N 2.83Å; E322-Y384 WeakPolarHBondContact O-CE1 3.33Å
323N93.6Very high91.9Very high58 Ų5825.4 Ų25.431%0.3113%0.134SC..THydrogen-bonded Turntrans71.5-5.1-176.6-48.6-52.3000115.9F321 E325 P387F321-N323 PolarHBondContact O-N 3.23Å; N323-E325 VanDerWaalsContact CA-OE2 3.23Å; N323-E325 WeakPolarHBondContact CA-OE2 3.47Å; N323-E325 PolarHBondContact N-OE2 3.01Å; N323-P387 HydrophobicContact CB-CB 4.13Å; N323-P387 HydrophobicContact CB-CG 4.07Å
324I95.9Very high92.4Very high0 Ų025.3 Ų25.30%013%0.134CC..THydrogen-bonded Turntrans-114.96.4176.665.5162.3000112.6R305 L320 F321 E322 V375 V380 E383 Y384R305-I324 HydrophobicContact CB-CD1 4.11Å; R305-I324 HydrophobicContact CG-CD1 3.67Å; L320-I324 WeakPolarHBondContact O-CD1 3.31Å; F321-I324 VanDerWaalsContact O-CG1 3.29Å; F321-I324 WeakPolarHBondContact O-CG1 3.49Å; F321-I324 PolarHBondContact O-N 2.99Å; F321-I324 VanDerWaalsContact O-N 3.14Å; E322-I324 PolarHBondContact O-N 2.83Å; I324-V375 HydrophobicContact CB-CG2 4.33Å; I324-V380 HydrophobicContact CD1-CG1 4.35Å; I324-V380 HydrophobicContact CG2-CG1 4.43Å; I324-E383 HydrophobicContact CG2-CB 4.28Å; I324-E383 HydrophobicContact CG2-CG 4.01Å; I324-Y384 HydrophobicContact CD1-CE1 4.38Å; I324-Y384 WeakPolarHBondContact CD1-OH 3.34Å; I324-Y384 HydrophobicContact CG1-CE1 4.29Å; I324-Y384 HydrophobicContact CG2-CD1 3.98Å; I324-Y384 HydrophobicContact CG2-CE1 3.68Å
325E96.2Very high93.1Very high13 Ų1320.6 Ų20.66%0.06111%0.112CC..PPolyproline II helixtrans-54.8140.6179.7-60.195.1150.400110.6C294 R298 D299 F321 N323 R392C294-E325 HydrophobicContact CB-CB 4.08Å; R298-E325 WeakPolarHBondContact CA-OE1 3.47Å; R298-E325 PolarHBondContact N-OE1 2.95Å; D299-E325 HydrophobicContact CB-CG 4.42Å; F321-E325 WeakPolarHBondContact O-CG 3.31Å; F321-E325 PolarHBondContact O-N 3.14Å; N323-E325 VanDerWaalsContact CA-OE2 3.23Å; N323-E325 WeakPolarHBondContact CA-OE2 3.47Å; N323-E325 PolarHBondContact N-OE2 3.01Å; E325-R392 VanDerWaalsContact O-CZ 3.31Å; E325-R392 PolarHBondContact O-NH1 3.49Å; E325-R392 PolarHBondContact O-NH2 3.06Å; E325-R392 VanDerWaalsContact O-NH2 3.1Å
326C97.3Very high94.3Very high0 Ų019 Ų190%010%0.1CC..PPolyproline II helixtrans-68.2139.4180-66.50000112.3H301 K302 L372 Y373 S374H301-C326 PolarHBondContact O-SG 2.74Å; H301-C326 VanDerWaalsContact O-SG 3.33Å; K302-C326 VanDerWaalsContact C-SG 3.53Å; K302-C326 PolarHBondContact O-SG 2.86Å; K302-C326 VanDerWaalsContact O-SG 3.35Å; C326-L372 HydrophobicContact CB-CB 4.22Å; C326-L372 HydrophobicContact CB-CD1 3.92Å; C326-L372 HydrophobicContact CB-CD2 4Å; C326-L372 HydrophobicContact CB-CG 4.28Å; C326-Y373 WeakPolarHBondContact CA-O 3.39Å; C326-S374 PolarHBondContact SG-OG 3.42Å; C326-S374 VanDerWaalsContact SG-OG 3.4Å
327E97.6Very high95.2Very high0 Ų016.6 Ų16.60%08%0.08CC..BIsolated β-bridgetrans-97131.2-179.1-65.8176.3-159.800109.9R290 Y291 L372 Y373 H388 R392R290-E327 PolarHBondContact N-OE2 3.42Å; Y291-E327 WeakPolarHBondContact CA-OE2 3.27Å; Y291-E327 WeakPolarHBondContact CB-OE2 3.37Å; Y291-E327 WeakPolarHBondContact CD2-OE2 3.2Å; Y291-E327 PolarHBondContact N-OE2 3.26Å; E327-L372 CarbonylContact O-C 3.55Å; E327-L372 VanDerWaalsContact O-CA 3.3Å; E327-L372 WeakPolarHBondContact O-CA 3.4Å; E327-Y373 PolarHBondContact N-O 3.23Å; E327-Y373 PolarHBondContact O-N 2.93Å; E327-H388 IonicContact OE1-ND1 3.81Å; E327-R392 IonicContact OE1-CZ 2.61Å; E327-R392 IonicContact OE1-NE 3.56Å; E327-R392 PolarHBondContact OE1-NE 3.33Å; E327-R392 IonicContact OE1-NH2 2.66Å
328W98.1Very high95.7Very high10 Ų1015.1 Ų15.14%0.0387%0.073CC..BIsolated β-bridgetrans-109.3113-174.7-72.860.1000110.7G292 C293 R295 H301 L330 F331 E371 L372 L400G292-W328 WeakPolarHBondContact CA-O 3.4Å; C293-W328 PolarHBondContact N-O 3.19Å; C293-W328 WeakPolarHBondContact O-CB 3.41Å; C293-W328 PolarHBondContact O-N 2.66Å; R295-W328 HydrophobicContact CG-CD2 4.24Å; R295-W328 HydrophobicContact CG-CG 4.25Å; H301-W328 AromaticContact CD2-CZ2 3.98Å; W328-L330 HydrophobicContact CE3-CD2 4.44Å; W328-L330 PolarHBondContact O-N 2.81Å; W328-L330 VanDerWaalsContact O-N 3.12Å; W328-F331 HydrophobicContact CB-CD2 3.69Å; W328-F331 HydrophobicContact CB-CE2 3.59Å; W328-F331 HydrophobicContact CG-CE2 4.15Å; W328-F331 WeakPolarHBondContact O-CD2 3.28Å; W328-F331 PolarHBondContact O-N 3.18Å; W328-E371 HydrophobicContact CE3-CG 4.27Å; W328-E371 HydrophobicContact CH2-CG 3.52Å; W328-E371 HydrophobicContact CZ2-CG 4.1Å; W328-E371 HydrophobicContact CZ3-CG 3.63Å; W328-L372 HydrophobicContact CD2-CB 4.2Å; W328-L372 HydrophobicContact CG-CB 4.14Å; W328-L372 HydrophobicContact CZ2-CD2 3.68Å; W328-L400 HydrophobicContact CE3-CD2 4.32Å; W328-L400 HydrophobicContact CZ3-CD2 4.11Å
329P97.7Very high96.1Very high0 Ų014.9 Ų14.90%07%0.072CC..THydrogen-bonded Turntrans-59.8-22.5176.4-25.133.5000113.9Y291 F331 W332 L355 I358 L369 P370 Y373Y291-P329 WeakPolarHBondContact O-CG 2.85Å; P329-F331 PolarHBondContact O-N 3.11Å; P329-F331 VanDerWaalsContact O-N 3.16Å; P329-W332 PolarHBondContact O-N 2.83Å; P329-W332 VanDerWaalsContact O-N 3.13Å; P329-L355 HydrophobicContact CB-CD1 4.05Å; P329-I358 HydrophobicContact CB-CD1 3.88Å; P329-I358 HydrophobicContact CG-CD1 3.82Å; P329-L369 HydrophobicContact CB-CD1 3.68Å; P329-L369 HydrophobicContact CB-CG 4.14Å; P329-P370 HydrophobicContact CG-CG 4.41Å; P329-Y373 HydrophobicContact CG-CD2 3.67Å; P329-Y373 HydrophobicContact CG-CE2 3.48Å; P329-Y373 VanDerWaalsContact CG-CE2 3.48Å
330L96.7Very high96.4Very high0 Ų013 Ų130%07%0.065CC..Hα-helixtrans-47.4-41.5176173.764.8000112.1W328 W332 T333 Y334 L400 W402 G403 L406W328-L330 HydrophobicContact CE3-CD2 4.44Å; W328-L330 PolarHBondContact O-N 2.81Å; W328-L330 VanDerWaalsContact O-N 3.12Å; L330-W332 VanDerWaalsContact C-N 3.33Å; L330-W332 PolarHBondContact O-N 3.12Å; L330-T333 WeakPolarHBondContact O-CB 3.43Å; L330-T333 PolarHBondContact O-N 2.93Å; L330-T333 PolarHBondContact O-OG1 3.26Å; L330-Y334 HydrophobicContact CD1-CE2 4.06Å; L330-Y334 HydrophobicContact CD2-CE2 4.44Å; L330-Y334 HydrophobicContact CG-CD2 4.39Å; L330-Y334 HydrophobicContact CG-CE2 4.01Å; L330-Y334 PolarHBondContact O-N 2.9Å; L330-L400 HydrophobicContact CB-CD2 4.46Å; L330-L400 HydrophobicContact CD2-CD2 4.41Å; L330-W402 HydrophobicContact CD1-CD2 4.3Å; L330-W402 HydrophobicContact CD1-CG 4.11Å; L330-W402 HydrophobicContact CD2-CD2 4.02Å; L330-W402 HydrophobicContact CD2-CE3 4.21Å; L330-W402 HydrophobicContact CD2-CH2 4.37Å; L330-W402 HydrophobicContact CD2-CZ2 4.2Å; L330-W402 HydrophobicContact CD2-CZ3 4.36Å; L330-G403 VanDerWaalsContact CD1-CA 3.47Å; L330-L406 HydrophobicContact CD1-CD1 4.05Å
331F97.8Very high96.5Very high1 Ų110.1 Ų10.10%0.0045%0.049CC..Hα-helixtrans-70.1-28.7-174.7-60.4-62000113.4W184 A257 L260 C293 R295 W328 P329 T333 Y334 L335W184-F331 HydrophobicContact CH2-CE1 4.3Å; W184-F331 AromaticContact CH2-CZ 3.77Å; W184-F331 HydrophobicContact CH2-CZ 3.77Å; W184-F331 HydrophobicContact CZ2-CE1 4.22Å; W184-F331 AromaticContact CZ2-CZ 3.71Å; W184-F331 HydrophobicContact CZ2-CZ 3.71Å; A257-F331 VanDerWaalsContact C-CE1 3.44Å; A257-F331 HydrophobicContact CB-CD1 3.63Å; A257-F331 HydrophobicContact CB-CD2 3.83Å; A257-F331 HydrophobicContact CB-CE1 3.5Å; A257-F331 VanDerWaalsContact CB-CE1 3.5Å; A257-F331 HydrophobicContact CB-CE2 3.67Å; A257-F331 HydrophobicContact CB-CG 3.79Å; A257-F331 HydrophobicContact CB-CZ 3.51Å; A257-F331 WeakPolarHBondContact O-CE1 3.28Å; L260-F331 HydrophobicContact CD1-CB 4.01Å; L260-F331 HydrophobicContact CD1-CD1 4.07Å; L260-F331 HydrophobicContact CD1-CG 4.42Å; C293-F331 HydrophobicContact CB-CB 3.84Å; C293-F331 HydrophobicContact CB-CD2 3.62Å; C293-F331 HydrophobicContact CB-CE2 4.48Å; C293-F331 HydrophobicContact CB-CG 4Å; C293-F331 VanDerWaalsContact O-CD2 3.27Å; C293-F331 WeakPolarHBondContact O-CD2 3.27Å; C293-F331 WeakPolarHBondContact O-CE2 3.37Å; R295-F331 HydrophobicContact CG-CE2 4.22Å; R295-F331 HydrophobicContact CG-CZ 4.26Å; W328-F331 HydrophobicContact CB-CD2 3.69Å; W328-F331 HydrophobicContact CB-CE2 3.59Å; W328-F331 HydrophobicContact CG-CE2 4.15Å; W328-F331 WeakPolarHBondContact O-CD2 3.28Å; W328-F331 PolarHBondContact O-N 3.18Å; P329-F331 PolarHBondContact O-N 3.11Å; P329-F331 VanDerWaalsContact O-N 3.16Å; F331-T333 VanDerWaalsContact C-N 3.26Å; F331-T333 PolarHBondContact O-N 2.98Å; F331-Y334 HydrophobicContact CD1-CD2 4.29Å; F331-Y334 WeakPolarHBondContact O-CB 3.09Å; F331-Y334 PolarHBondContact O-N 3.18Å; F331-Y334 VanDerWaalsContact O-N 3.17Å; F331-L335 WeakPolarHBondContact O-CG 3.41Å; F331-L335 PolarHBondContact O-N 2.96Å
332W97.9Very high96.5Very high11 Ų1113.4 Ų13.44%0.0427%0.072CC..Hα-helixtrans-66.4-29.6170.5-69-11.7000112.3R290 G292 P329 L330 Y334 L335 I336 Y351 A354 L355 I358R290-W332 VanDerWaalsContact O-CH2 3.27Å; R290-W332 WeakPolarHBondContact O-CH2 3.33Å; G292-W332 VanDerWaalsContact N-CZ2 3.3Å; P329-W332 PolarHBondContact O-N 2.83Å; P329-W332 VanDerWaalsContact O-N 3.13Å; L330-W332 VanDerWaalsContact C-N 3.33Å; L330-W332 PolarHBondContact O-N 3.12Å; W332-Y334 VanDerWaalsContact C-N 3.31Å; W332-Y334 PolarHBondContact O-N 3.24Å; W332-L335 PolarHBondContact O-N 2.79Å; W332-I336 VanDerWaalsContact O-CG1 3.29Å; W332-I336 WeakPolarHBondContact O-CG1 3.38Å; W332-I336 PolarHBondContact O-N 2.7Å; W332-Y351 HydrophobicContact CB-CD1 4.17Å; W332-Y351 AromaticContact CD1-CD1 3.52Å; W332-Y351 AromaticContact CD1-CE1 3.62Å; W332-Y351 HydrophobicContact CD2-CD1 4.23Å; W332-Y351 AromaticContact CG-CD1 3.74Å; W332-Y351 HydrophobicContact CG-CD1 3.74Å; W332-Y351 HydrophobicContact CG-CE1 4.3Å; W332-Y351 AromaticContact NE1-CD1 3.86Å; W332-Y351 AromaticContact NE1-CE1 3.72Å; W332-A354 HydrophobicContact CE3-CB 4Å; W332-A354 HydrophobicContact CH2-CB 3.8Å; W332-A354 HydrophobicContact CZ2-CB 4.36Å; W332-A354 HydrophobicContact CZ3-CB 3.62Å; W332-A354 WeakPolarHBondContact CZ3-O 3.4Å; W332-L355 HydrophobicContact CB-CD1 4.29Å; W332-L355 HydrophobicContact CE3-CB 4.43Å; W332-L355 HydrophobicContact CE3-CD1 4.04Å; W332-I358 HydrophobicContact CE3-CD1 3.97Å; W332-I358 HydrophobicContact CH2-CD1 4.49Å; W332-I358 HydrophobicContact CZ3-CD1 3.56Å; W332-I358 HydrophobicContact CZ3-CG1 4.23Å
333T97.9Very high96.5Very high2 Ų216.3 Ų16.31%0.0129%0.089CC..Hα-helixtrans-65.1-36.5172.674.30000111.9L330 F331 I336 L337 L355 L369 L406L330-T333 WeakPolarHBondContact O-CB 3.43Å; L330-T333 PolarHBondContact O-N 2.93Å; L330-T333 PolarHBondContact O-OG1 3.26Å; F331-T333 VanDerWaalsContact C-N 3.26Å; F331-T333 PolarHBondContact O-N 2.98Å; T333-I336 PolarHBondContact O-N 3.14Å; T333-L337 WeakPolarHBondContact O-CG 3.45Å; T333-L337 PolarHBondContact O-N 3.14Å; T333-L337 VanDerWaalsContact O-N 3.09Å; T333-L355 HydrophobicContact CG2-CD2 4.09Å; T333-L369 HydrophobicContact CG2-CD2 4.1Å; T333-L406 WeakPolarHBondContact OG1-CB 3.24Å
334Y97.8Very high96.6Very high3 Ų315.5 Ų15.51%0.0129%0.088CC..Hα-helixtrans-65.5-41.8171.5-76-73.1000112Y49 L260 A261 T264 Y265 L330 F331 W332 I336 L337 D338 W402 L406Y49-Y334 PolarHBondContact OH-OH 3.42Å; L260-Y334 HydrophobicContact CB-CG 4.23Å; A261-Y334 HydrophobicContact CB-CE1 3.9Å; T264-Y334 HydrophobicContact CG2-CD1 4.41Å; Y265-Y334 WeakPolarHBondContact O-CD1 3.19Å; Y265-Y334 WeakPolarHBondContact O-CE1 3.12Å; L330-Y334 HydrophobicContact CD1-CE2 4.06Å; L330-Y334 HydrophobicContact CD2-CE2 4.44Å; L330-Y334 HydrophobicContact CG-CD2 4.39Å; L330-Y334 HydrophobicContact CG-CE2 4.01Å; L330-Y334 PolarHBondContact O-N 2.9Å; F331-Y334 HydrophobicContact CD1-CD2 4.29Å; F331-Y334 WeakPolarHBondContact O-CB 3.09Å; F331-Y334 PolarHBondContact O-N 3.18Å; F331-Y334 VanDerWaalsContact O-N 3.17Å; W332-Y334 VanDerWaalsContact C-N 3.31Å; W332-Y334 PolarHBondContact O-N 3.24Å; Y334-I336 VanDerWaalsContact C-N 3.35Å; Y334-I336 PolarHBondContact O-N 3.32Å; Y334-L337 PolarHBondContact O-N 3.38Å; Y334-D338 WeakPolarHBondContact O-CB 3.18Å; Y334-D338 PolarHBondContact O-N 3.49Å; Y334-W402 HydrophobicContact CE2-CZ2 4.48Å; Y334-W402 WeakPolarHBondContact OH-CZ2 3.4Å; Y334-W402 PolarHBondContact OH-NE1 3.23Å; Y334-W402 VanDerWaalsContact OH-NE1 3.12Å; Y334-L406 HydrophobicContact CD1-CD1 4.41Å; Y334-L406 HydrophobicContact CD2-CD1 4.4Å; Y334-L406 HydrophobicContact CE1-CD1 3.86Å; Y334-L406 HydrophobicContact CE2-CD1 3.87Å
335L97.8Very high96.5Very high2 Ų224 Ų241%0.0112%0.121CC..Hα-helixtrans-68.3-31.9178.3-64.5173.7000112.8L260 K280 I284 F331 W332 G339 Q347 Y351L260-L335 HydrophobicContact CD1-CD2 4.39Å; L260-L335 HydrophobicContact CD1-CG 4.43Å; L260-L335 HydrophobicContact CD2-CD2 4.02Å; K280-L335 HydrophobicContact CD-CD2 4.41Å; I284-L335 HydrophobicContact CD1-CD2 4.43Å; F331-L335 WeakPolarHBondContact O-CG 3.41Å; F331-L335 PolarHBondContact O-N 2.96Å; W332-L335 PolarHBondContact O-N 2.79Å; L335-G339 PolarHBondContact O-N 2.95Å; L335-Q347 PolarHBondContact O-NE2 2.99Å; L335-Y351 HydrophobicContact CB-CD1 4.42Å; L335-Y351 HydrophobicContact CB-CD2 3.69Å; L335-Y351 HydrophobicContact CB-CE1 4.47Å; L335-Y351 HydrophobicContact CB-CE2 3.77Å; L335-Y351 HydrophobicContact CB-CG 4.07Å; L335-Y351 HydrophobicContact CD1-CD1 4.18Å; L335-Y351 HydrophobicContact CD1-CD2 4.43Å; L335-Y351 HydrophobicContact CD1-CE1 3.55Å; L335-Y351 HydrophobicContact CD1-CE2 3.87Å; L335-Y351 VanDerWaalsContact CD1-CZ 3.41Å; L335-Y351 HydrophobicContact CG-CE2 4.35Å
336I97.7Very high96.6Very high7 Ų731.3 Ų31.34%0.03616%0.155CC..Hα-helixtrans-63.7-49.3169.9-70.5165000110W332 T333 Y334 D338 G339 I340 V348 Q352 L355W332-I336 VanDerWaalsContact O-CG1 3.29Å; W332-I336 WeakPolarHBondContact O-CG1 3.38Å; W332-I336 PolarHBondContact O-N 2.7Å; T333-I336 PolarHBondContact O-N 3.14Å; Y334-I336 VanDerWaalsContact C-N 3.35Å; Y334-I336 PolarHBondContact O-N 3.32Å; I336-D338 VanDerWaalsContact C-N 3.32Å; I336-D338 PolarHBondContact O-N 2.97Å; I336-G339 PolarHBondContact O-N 2.96Å; I336-I340 HydrophobicContact CG2-CD1 3.95Å; I336-I340 WeakPolarHBondContact O-CG1 3.29Å; I336-I340 PolarHBondContact O-N 2.81Å; I336-V348 HydrophobicContact CG2-CG1 4.38Å; I336-Q352 HydrophobicContact CD1-CG 3.91Å; I336-Q352 HydrophobicContact CG1-CG 4.24Å; I336-Q352 HydrophobicContact CG2-CG 4.48Å; I336-L355 HydrophobicContact CD1-CD2 3.98Å
337L97.3Very high96.5Very high0 Ų032.8 Ų32.80%016%0.162CC..Hα-helixtrans-61.8-42.6178.2-67.6170.3000111Y265 T333 Y334 G339 I340 F341 L406 L409 L413Y265-L337 HydrophobicContact CD1-CD1 3.77Å; Y265-L337 HydrophobicContact CE1-CD1 4.39Å; T333-L337 WeakPolarHBondContact O-CG 3.45Å; T333-L337 PolarHBondContact O-N 3.14Å; T333-L337 VanDerWaalsContact O-N 3.09Å; Y334-L337 PolarHBondContact O-N 3.38Å; L337-G339 VanDerWaalsContact C-N 3.33Å; L337-G339 PolarHBondContact O-N 2.59Å; L337-I340 HydrophobicContact CD2-CD1 4.5Å; L337-I340 WeakPolarHBondContact O-CB 3.39Å; L337-I340 PolarHBondContact O-N 3.29Å; L337-I340 VanDerWaalsContact O-N 3.14Å; L337-F341 VanDerWaalsContact O-CD2 3.29Å; L337-F341 WeakPolarHBondContact O-CD2 3.21Å; L337-F341 PolarHBondContact O-N 3.02Å; L337-L406 HydrophobicContact CD1-CB 4.39Å; L337-L406 HydrophobicContact CD1-CD2 4.17Å; L337-L409 HydrophobicContact CD1-CD2 4.26Å; L337-L409 HydrophobicContact CD2-CD2 4.1Å; L337-L409 HydrophobicContact CD2-CG 4.08Å; L337-L413 HydrophobicContact CD2-CD1 3.72Å
338D96.4Very high96.5Very high7 Ų733.5 Ų33.54%0.03717%0.166CC..Hα-helixtrans-55.4-46.7173.8-176.166.7000112.2T264 K280 Y334 I336 I340 F341 S342 Q347T264-D338 WeakPolarHBondContact CB-OD1 3.29Å; T264-D338 HydrophobicContact CG2-CB 4.21Å; T264-D338 WeakPolarHBondContact OG1-CA 3.42Å; T264-D338 WeakPolarHBondContact OG1-CB 3.43Å; T264-D338 PolarHBondContact OG1-OD1 2.69Å; K280-D338 IonicContact NZ-OD2 3.02Å; K280-D338 PolarHBondContact NZ-OD2 2.79Å; Y334-D338 WeakPolarHBondContact O-CB 3.18Å; Y334-D338 PolarHBondContact O-N 3.49Å; I336-D338 VanDerWaalsContact C-N 3.32Å; I336-D338 PolarHBondContact O-N 2.97Å; D338-I340 VanDerWaalsContact C-N 3.35Å; D338-I340 PolarHBondContact O-N 3.07Å; D338-F341 PolarHBondContact O-N 3.3Å; D338-S342 VanDerWaalsContact O-CB 3.24Å; D338-S342 WeakPolarHBondContact O-CB 3.12Å; D338-S342 PolarHBondContact O-N 3.16Å; D338-S342 PolarHBondContact O-OG 3.48Å; D338-Q347 PolarHBondContact OD2-NE2 3.49Å
339G96.3Very high96.4Very high0 Ų038.3 Ų38.30%019%0.19CC..Hα-helixtrans-61.9-4117600000112.3L335 I336 L337 S342 N343 S344 V348L335-G339 PolarHBondContact O-N 2.95Å; I336-G339 PolarHBondContact O-N 2.96Å; L337-G339 VanDerWaalsContact C-N 3.33Å; L337-G339 PolarHBondContact O-N 2.59Å; G339-S342 PolarHBondContact O-N 3.21Å; G339-N343 CarbonylContact O-C 3.47Å; G339-N343 PolarHBondContact O-N 2.75Å; G339-S344 PolarHBondContact O-N 2.79Å; G339-V348 VanDerWaalsContact C-CG2 3.48Å
340I96.4Very high96.4Very high22 Ų2243.6 Ų43.611%0.11321%0.214CC..Hα-helixtrans-62.7-49176.1-68.7167.4000110.8I336 L337 D338 S342 N343 V348 L413 P420I336-I340 HydrophobicContact CG2-CD1 3.95Å; I336-I340 WeakPolarHBondContact O-CG1 3.29Å; I336-I340 PolarHBondContact O-N 2.81Å; L337-I340 HydrophobicContact CD2-CD1 4.5Å; L337-I340 WeakPolarHBondContact O-CB 3.39Å; L337-I340 PolarHBondContact O-N 3.29Å; L337-I340 VanDerWaalsContact O-N 3.14Å; D338-I340 VanDerWaalsContact C-N 3.35Å; D338-I340 PolarHBondContact O-N 3.07Å; I340-S342 VanDerWaalsContact C-N 3.31Å; I340-S342 PolarHBondContact O-N 3.28Å; I340-N343 PolarHBondContact O-N 3.46Å; I340-V348 HydrophobicContact CG1-CG1 4.43Å; I340-V348 HydrophobicContact CG1-CG2 3.76Å; I340-L413 HydrophobicContact CD1-CB 3.86Å; I340-L413 HydrophobicContact CD1-CD1 4.49Å; I340-L413 HydrophobicContact CG2-CB 4.17Å; I340-L413 HydrophobicContact CG2-CD1 4.43Å; I340-P420 HydrophobicContact CG2-CG 4.05Å
341F94.7Very high96.4Very high25 Ų2544.2 Ų44.211%0.1122%0.216CC..Hα-helixtrans-68.8-30-178.9-85.6-83.1000113.1Y265 F268 L337 D338 N343 P420 I423 D424 R429Y265-F341 AromaticContact CD2-CE2 3.49Å; Y265-F341 HydrophobicContact CD2-CE2 3.49Å; Y265-F341 VanDerWaalsContact CD2-CE2 3.49Å; Y265-F341 AromaticContact CD2-CZ 3.55Å; Y265-F341 HydrophobicContact CD2-CZ 3.55Å; Y265-F341 HydrophobicContact CE2-CE2 4.39Å; Y265-F341 HydrophobicContact CE2-CZ 4.22Å; Y265-F341 AromaticContact CG-CE2 3.79Å; Y265-F341 HydrophobicContact CG-CE2 3.79Å; Y265-F341 HydrophobicContact CG-CZ 4.3Å; F268-F341 HydrophobicContact CE1-CB 4.36Å; F268-F341 HydrophobicContact CE1-CD1 4.26Å; F268-F341 HydrophobicContact CE1-CG 4.19Å; F268-F341 HydrophobicContact CE2-CD1 4.45Å; F268-F341 HydrophobicContact CE2-CE1 4.14Å; F268-F341 HydrophobicContact CE2-CZ 4.25Å; F268-F341 HydrophobicContact CZ-CB 4.38Å; F268-F341 AromaticContact CZ-CD1 3.62Å; F268-F341 HydrophobicContact CZ-CD1 3.62Å; F268-F341 AromaticContact CZ-CD2 3.93Å; F268-F341 HydrophobicContact CZ-CD2 3.93Å; F268-F341 AromaticContact CZ-CE1 3.7Å; F268-F341 HydrophobicContact CZ-CE1 3.7Å; F268-F341 HydrophobicContact CZ-CE2 4.03Å; F268-F341 AromaticContact CZ-CG 3.72Å; F268-F341 HydrophobicContact CZ-CG 3.72Å; F268-F341 AromaticContact CZ-CZ 3.89Å; F268-F341 HydrophobicContact CZ-CZ 3.89Å; L337-F341 VanDerWaalsContact O-CD2 3.29Å; L337-F341 WeakPolarHBondContact O-CD2 3.21Å; L337-F341 PolarHBondContact O-N 3.02Å; D338-F341 PolarHBondContact O-N 3.3Å; F341-N343 VanDerWaalsContact C-N 3.35Å; F341-P420 HydrophobicContact CD1-CB 3.85Å; F341-P420 HydrophobicContact CE1-CB 3.6Å; F341-P420 HydrophobicContact CZ-CB 4.07Å; F341-I423 HydrophobicContact CE2-CD1 3.78Å; F341-I423 HydrophobicContact CZ-CD1 3.4Å; F341-I423 VanDerWaalsContact CZ-CD1 3.4Å; F341-D424 HydrophobicContact CE1-CB 4.2Å; F341-D424 HydrophobicContact CZ-CB 4.37Å; F341-R429 HydrophobicContact CD1-CB 3.86Å; F341-R429 HydrophobicContact CD1-CG 4.43Å; F341-R429 HydrophobicContact CE1-CB 4.13Å
342S92.8Very high96.4Very high69 Ų6945.9 Ų45.948%0.48322%0.224SC..THydrogen-bonded Turntrans-87.6-1.7177.1-54.90000113.5D338 G339 I340 S344D338-S342 VanDerWaalsContact O-CB 3.24Å; D338-S342 WeakPolarHBondContact O-CB 3.12Å; D338-S342 PolarHBondContact O-N 3.16Å; D338-S342 PolarHBondContact O-OG 3.48Å; G339-S342 PolarHBondContact O-N 3.21Å; I340-S342 VanDerWaalsContact C-N 3.31Å; I340-S342 PolarHBondContact O-N 3.28Å; S342-S344 PolarHBondContact O-N 3.1Å
343N93.6Very high96.3Very high113 Ų11350.6 Ų50.660%0.60425%0.247SC*.THydrogen-bonded Turntrans55.833.1-171.6-55.8-67.4000114.1G339 I340 F341 Y345G339-N343 CarbonylContact O-C 3.47Å; G339-N343 PolarHBondContact O-N 2.75Å; I340-N343 PolarHBondContact O-N 3.46Å; F341-N343 VanDerWaalsContact C-N 3.35Å; N343-Y345 PolarHBondContact O-N 3.1Å
344S95.8Very high96.2Very high41 Ų4152 Ų5229%0.28726%0.259SS..  trans-92.987.7175.2-174.90000110.5G339 S342 E346 Q347 V348G339-S344 PolarHBondContact O-N 2.79Å; S342-S344 PolarHBondContact O-N 3.1Å; S344-E346 VanDerWaalsContact C-N 3.3Å; S344-E346 PolarHBondContact O-N 3.42Å; S344-Q347 PolarHBondContact O-N 3.21Å; S344-Q347 VanDerWaalsContact OG-CB 3.32Å; S344-Q347 WeakPolarHBondContact OG-CB 3.44Å; S344-V348 WeakPolarHBondContact O-CG2 3.5Å; S344-V348 PolarHBondContact O-N 3.03Å
345Y93.9Very high96.1Very high179 Ų17951.9 Ų51.970%0.70226%0.258SS*.Hα-helixtrans-64.3-33.7-178.2-62.3-77.6000113.2N343 V348 Q349N343-Y345 PolarHBondContact O-N 3.1Å; Y345-V348 PolarHBondContact O-N 3.2Å; Y345-Q349 WeakPolarHBondContact O-CB 3.31Å; Y345-Q349 PolarHBondContact O-N 3.14Å
346E96.6Very high95.9Very high166 Ų16656.2 Ų56.278%0.77628%0.278SS*.Hα-helixtrans-63.3-47.8177.9-65.2178.1179.800111.1S344 V348 Q349 E350S344-E346 VanDerWaalsContact C-N 3.3Å; S344-E346 PolarHBondContact O-N 3.42Å; E346-V348 VanDerWaalsContact C-N 3.33Å; E346-V348 PolarHBondContact O-N 3.15Å; E346-Q349 PolarHBondContact O-N 3.47Å; E346-E350 WeakPolarHBondContact O-CB 3.32Å; E346-E350 PolarHBondContact O-N 2.98Å
347Q96.4Very high95.8Very high31 Ų3160 Ų6015%0.14531%0.311CS..Hα-helixtrans-59.4-44175.3179.3177.5-29.400111.6L335 D338 S344 Q349 E350 Y351L335-Q347 PolarHBondContact O-NE2 2.99Å; D338-Q347 PolarHBondContact OD2-NE2 3.49Å; S344-Q347 PolarHBondContact O-N 3.21Å; S344-Q347 VanDerWaalsContact OG-CB 3.32Å; S344-Q347 WeakPolarHBondContact OG-CB 3.44Å; Q347-Q349 VanDerWaalsContact C-N 3.34Å; Q347-Q349 PolarHBondContact O-N 3.42Å; Q347-E350 PolarHBondContact O-N 3.16Å; Q347-Y351 HydrophobicContact CG-CD2 3.76Å; Q347-Y351 HydrophobicContact CG-CE2 3.76Å; Q347-Y351 VanDerWaalsContact O-CD2 3.24Å; Q347-Y351 WeakPolarHBondContact O-CD2 3.35Å; Q347-Y351 PolarHBondContact O-N 2.9Å; Q347-Y351 VanDerWaalsContact O-N 3.14Å
348V97.1Very high95.7Very high14 Ų1461 Ų619%0.08532%0.316CS..Hα-helixtrans-60.8-46.4178.5173.20000110.7I336 G339 I340 S344 Y345 E346 Q352I336-V348 HydrophobicContact CG2-CG1 4.38Å; G339-V348 VanDerWaalsContact C-CG2 3.48Å; I340-V348 HydrophobicContact CG1-CG1 4.43Å; I340-V348 HydrophobicContact CG1-CG2 3.76Å; S344-V348 WeakPolarHBondContact O-CG2 3.5Å; S344-V348 PolarHBondContact O-N 3.03Å; Y345-V348 PolarHBondContact O-N 3.2Å; E346-V348 VanDerWaalsContact C-N 3.33Å; E346-V348 PolarHBondContact O-N 3.15Å; V348-Q352 HydrophobicContact CG1-CG 4.28Å; V348-Q352 VanDerWaalsContact O-CB 3.25Å; V348-Q352 WeakPolarHBondContact O-CB 3.17Å; V348-Q352 WeakPolarHBondContact O-CG 3.34Å; V348-Q352 PolarHBondContact O-N 3.01Å
349Q96.8Very high95.7Very high112 Ų11261.3 Ų61.352%0.52332%0.318SS..Hα-helixtrans-64.6-47.4-179.5-176.2175.5-8.800111.6Y345 E346 Q347 Y351 Q352 E353Y345-Q349 WeakPolarHBondContact O-CB 3.31Å; Y345-Q349 PolarHBondContact O-N 3.14Å; E346-Q349 PolarHBondContact O-N 3.47Å; Q347-Q349 VanDerWaalsContact C-N 3.34Å; Q347-Q349 PolarHBondContact O-N 3.42Å; Q349-Y351 PolarHBondContact O-N 3.35Å; Q349-Q352 PolarHBondContact O-N 2.99Å; Q349-E353 HydrophobicContact CG-CG 4.39Å; Q349-E353 VanDerWaalsContact CG-OE1 3.29Å; Q349-E353 WeakPolarHBondContact CG-OE1 3.38Å; Q349-E353 PolarHBondContact NE2-OE1 2.92Å; Q349-E353 WeakPolarHBondContact O-CG 3.46Å; Q349-E353 PolarHBondContact O-N 3.13Å
350E96.8Very high95.6Very high110 Ų11064 Ų6451%0.51433%0.331SS..Hα-helixtrans-53.6-54.7178.8-179.8-175.9177.400111.8E346 Q347 Q352 E353 A354E346-E350 WeakPolarHBondContact O-CB 3.32Å; E346-E350 PolarHBondContact O-N 2.98Å; Q347-E350 PolarHBondContact O-N 3.16Å; E350-Q352 PolarHBondContact O-N 3.24Å; E350-E353 PolarHBondContact O-N 3.25Å; E350-A354 WeakPolarHBondContact O-CB 3.39Å; E350-A354 PolarHBondContact O-N 3.37Å
351Y97.6Very high95.4Very high13 Ų1369.2 Ų69.25%0.05135%0.353CS..Hα-helixtrans-73.5-26.1-178.3-70.8-66.3000112.9Q288 W332 L335 Q347 Q349 L355Q288-Y351 PolarHBondContact OE1-OH 2.79Å; Q288-Y351 VanDerWaalsContact OE1-OH 3.08Å; W332-Y351 HydrophobicContact CB-CD1 4.17Å; W332-Y351 AromaticContact CD1-CD1 3.52Å; W332-Y351 AromaticContact CD1-CE1 3.62Å; W332-Y351 HydrophobicContact CD2-CD1 4.23Å; W332-Y351 AromaticContact CG-CD1 3.74Å; W332-Y351 HydrophobicContact CG-CD1 3.74Å; W332-Y351 HydrophobicContact CG-CE1 4.3Å; W332-Y351 AromaticContact NE1-CD1 3.86Å; W332-Y351 AromaticContact NE1-CE1 3.72Å; L335-Y351 HydrophobicContact CB-CD1 4.42Å; L335-Y351 HydrophobicContact CB-CD2 3.69Å; L335-Y351 HydrophobicContact CB-CE1 4.47Å; L335-Y351 HydrophobicContact CB-CE2 3.77Å; L335-Y351 HydrophobicContact CB-CG 4.07Å; L335-Y351 HydrophobicContact CD1-CD1 4.18Å; L335-Y351 HydrophobicContact CD1-CD2 4.43Å; L335-Y351 HydrophobicContact CD1-CE1 3.55Å; L335-Y351 HydrophobicContact CD1-CE2 3.87Å; L335-Y351 VanDerWaalsContact CD1-CZ 3.41Å; L335-Y351 HydrophobicContact CG-CE2 4.35Å; Q347-Y351 HydrophobicContact CG-CD2 3.76Å; Q347-Y351 HydrophobicContact CG-CE2 3.76Å; Q347-Y351 VanDerWaalsContact O-CD2 3.24Å; Q347-Y351 WeakPolarHBondContact O-CD2 3.35Å; Q347-Y351 PolarHBondContact O-N 2.9Å; Q347-Y351 VanDerWaalsContact O-N 3.14Å; Q349-Y351 PolarHBondContact O-N 3.35Å; Y351-L355 WeakPolarHBondContact O-CB 3.38Å; Y351-L355 PolarHBondContact O-N 3.46Å
352Q96.1Very high95.1Very high37 Ų3771.9 Ų71.917%0.17337%0.366CS..Hα-helixtrans-67.1-46.3172.1-80.8-174.66.300111.7I336 V348 Q349 E350 A354 L355 E356 S414I336-Q352 HydrophobicContact CD1-CG 3.91Å; I336-Q352 HydrophobicContact CG1-CG 4.24Å; I336-Q352 HydrophobicContact CG2-CG 4.48Å; V348-Q352 HydrophobicContact CG1-CG 4.28Å; V348-Q352 VanDerWaalsContact O-CB 3.25Å; V348-Q352 WeakPolarHBondContact O-CB 3.17Å; V348-Q352 WeakPolarHBondContact O-CG 3.34Å; V348-Q352 PolarHBondContact O-N 3.01Å; Q349-Q352 PolarHBondContact O-N 2.99Å; E350-Q352 PolarHBondContact O-N 3.24Å; Q352-A354 VanDerWaalsContact C-N 3.35Å; Q352-L355 PolarHBondContact O-N 2.89Å; Q352-E356 WeakPolarHBondContact O-CB 3.36Å; Q352-E356 VanDerWaalsContact O-CG 3.29Å; Q352-E356 WeakPolarHBondContact O-CG 3.48Å; Q352-E356 PolarHBondContact O-N 3Å; Q352-S414 PolarHBondContact NE2-OG 2.93Å
353E96.5Very high94.6Very high110 Ų11079.4 Ų79.451%0.51439%0.39SS..Hα-helixtrans-62.5-43.9176.9-71.3176.5-170.900110.8Q349 E350 L355 E356 A357Q349-E353 HydrophobicContact CG-CG 4.39Å; Q349-E353 VanDerWaalsContact CG-OE1 3.29Å; Q349-E353 WeakPolarHBondContact CG-OE1 3.38Å; Q349-E353 PolarHBondContact NE2-OE1 2.92Å; Q349-E353 WeakPolarHBondContact O-CG 3.46Å; Q349-E353 PolarHBondContact O-N 3.13Å; E350-E353 PolarHBondContact O-N 3.25Å; E353-L355 PolarHBondContact O-N 2.97Å; E353-E356 PolarHBondContact O-N 2.92Å; E353-A357 PolarHBondContact O-N 2.58Å; E353-A357 VanDerWaalsContact O-N 3.13Å
354A96.4Very high93.9Very high31 Ų3177.3 Ų77.326%0.25638%0.379SS..Hα-helixtrans-60.9-4517600000112.1W332 E350 Q352 A357W332-A354 HydrophobicContact CE3-CB 4Å; W332-A354 HydrophobicContact CH2-CB 3.8Å; W332-A354 HydrophobicContact CZ2-CB 4.36Å; W332-A354 HydrophobicContact CZ3-CB 3.62Å; W332-A354 WeakPolarHBondContact CZ3-O 3.4Å; E350-A354 WeakPolarHBondContact O-CB 3.39Å; E350-A354 PolarHBondContact O-N 3.37Å; Q352-A354 VanDerWaalsContact C-N 3.35Å; A354-A357 PolarHBondContact O-N 2.84Å
355L95.8Very high93.4Very high0 Ų076.9 Ų76.90%038%0.381CS..Hα-helixtrans-66.2-43.6179-162.868.7000111.6P329 W332 T333 I336 Y351 Q352 E353 A357 I358 L359 L369 Y407P329-L355 HydrophobicContact CB-CD1 4.05Å; W332-L355 HydrophobicContact CB-CD1 4.29Å; W332-L355 HydrophobicContact CE3-CB 4.43Å; W332-L355 HydrophobicContact CE3-CD1 4.04Å; T333-L355 HydrophobicContact CG2-CD2 4.09Å; I336-L355 HydrophobicContact CD1-CD2 3.98Å; Y351-L355 WeakPolarHBondContact O-CB 3.38Å; Y351-L355 PolarHBondContact O-N 3.46Å; Q352-L355 PolarHBondContact O-N 2.89Å; E353-L355 PolarHBondContact O-N 2.97Å; L355-A357 PolarHBondContact O-N 3.13Å; L355-I358 HydrophobicContact CD1-CD1 4.37Å; L355-I358 VanDerWaalsContact O-CG1 3.23Å; L355-I358 WeakPolarHBondContact O-CG1 3.17Å; L355-I358 PolarHBondContact O-N 2.97Å; L355-I358 VanDerWaalsContact O-N 3.12Å; L355-L359 HydrophobicContact CG-CG 4.48Å; L355-L359 WeakPolarHBondContact O-CG 3.46Å; L355-L359 PolarHBondContact O-N 3.25Å; L355-L359 VanDerWaalsContact O-N 3.08Å; L355-L369 HydrophobicContact CD1-CD1 3.51Å; L355-L369 HydrophobicContact CD2-CD1 4.37Å; L355-L369 HydrophobicContact CG-CD1 4.09Å; L355-Y407 HydrophobicContact CD2-CD2 3.38Å; L355-Y407 HydrophobicContact CD2-CE2 3.81Å; L355-Y407 HydrophobicContact CD2-CG 4.36Å
356E93.9Very high93.2Very high94 Ų9468.5 Ų68.544%0.43935%0.348SS..Hα-helixtrans-61.1-32.2178.2-76.6178.2-172.200113.1Q352 E353 I358 K411Q352-E356 WeakPolarHBondContact O-CB 3.36Å; Q352-E356 VanDerWaalsContact O-CG 3.29Å; Q352-E356 WeakPolarHBondContact O-CG 3.48Å; Q352-E356 PolarHBondContact O-N 3Å; E353-E356 PolarHBondContact O-N 2.92Å; E356-I358 VanDerWaalsContact C-N 3.25Å; E356-I358 PolarHBondContact O-N 3.34Å; E356-K411 IonicContact OE1-NZ 3.49Å; E356-K411 PolarHBondContact OE1-NZ 3.33Å
357A94.8Very high93Very high87 Ų8765.6 Ų65.672%0.71933%0.33SS*.Hα-helixtrans-66.8-24.7176.700000113.6E353 A354 L355E353-A357 PolarHBondContact O-N 2.58Å; E353-A357 VanDerWaalsContact O-N 3.13Å; A354-A357 PolarHBondContact O-N 2.84Å; L355-A357 PolarHBondContact O-N 3.13Å
358I95.7Very high93Very high21 Ų2164.4 Ų64.411%0.10833%0.325CS..Hα-helixtrans-107.1-20.8-175.165.1169.1000113.5Y291 P329 W332 L355 E356 Y373Y291-I358 HydrophobicContact CD1-CB 4.38Å; Y291-I358 HydrophobicContact CD1-CG2 3.68Å; Y291-I358 HydrophobicContact CE1-CG2 4.2Å; Y291-I358 VanDerWaalsContact O-CD1 3.29Å; Y291-I358 WeakPolarHBondContact O-CD1 3.43Å; P329-I358 HydrophobicContact CB-CD1 3.88Å; P329-I358 HydrophobicContact CG-CD1 3.82Å; W332-I358 HydrophobicContact CE3-CD1 3.97Å; W332-I358 HydrophobicContact CH2-CD1 4.49Å; W332-I358 HydrophobicContact CZ3-CD1 3.56Å; W332-I358 HydrophobicContact CZ3-CG1 4.23Å; L355-I358 HydrophobicContact CD1-CD1 4.37Å; L355-I358 VanDerWaalsContact O-CG1 3.23Å; L355-I358 WeakPolarHBondContact O-CG1 3.17Å; L355-I358 PolarHBondContact O-N 2.97Å; L355-I358 VanDerWaalsContact O-N 3.12Å; E356-I358 VanDerWaalsContact C-N 3.25Å; E356-I358 PolarHBondContact O-N 3.34Å; I358-Y373 HydrophobicContact CB-CE2 4.38Å; I358-Y373 HydrophobicContact CD1-CE2 4.01Å; I358-Y373 PolarHBondContact O-OH 2.89Å
359L95.6Very high92.9Very high13 Ų1363.8 Ų63.87%0.06832%0.321CS..PPolyproline II helixtrans-53.2141-179.5-76.8169.4000113.4L355 W367 L368 L369 Y407L355-L359 HydrophobicContact CG-CG 4.48Å; L355-L359 WeakPolarHBondContact O-CG 3.46Å; L355-L359 PolarHBondContact O-N 3.25Å; L355-L359 VanDerWaalsContact O-N 3.08Å; L359-W367 HydrophobicContact CB-CB 4.32Å; L359-W367 HydrophobicContact CB-CE3 3.83Å; L359-W367 HydrophobicContact CD1-CB 4.14Å; L359-L368 WeakPolarHBondContact CD2-O 3.37Å; L359-L369 HydrophobicContact CD2-CB 3.97Å; L359-L369 HydrophobicContact CD2-CD1 3.61Å; L359-L369 HydrophobicContact CD2-CG 4.43Å; L359-Y407 HydrophobicContact CD1-CE1 4.25Å; L359-Y407 HydrophobicContact CD1-CE2 3.89Å; L359-Y407 WeakPolarHBondContact CD1-OH 3.48Å
360I94.6Very high92.8Very high55 Ų5558.5 Ų58.528%0.28230%0.296SS..EExtended strand (participates in β ladder)trans-90.8120.7-178.5-58.9175.7000109.7L368 P370 P394I360-L368 HydrophobicContact CB-CB 4.45Å; I360-L368 PolarHBondContact N-O 3.06Å; I360-L368 PolarHBondContact O-N 3.31Å; I360-P370 HydrophobicContact CD1-CB 4.06Å; I360-P370 HydrophobicContact CD1-CG 4.08Å; I360-P394 HydrophobicContact CD1-CB 3.66Å; I360-P394 HydrophobicContact CD1-CG 3.86Å
361K92.4Very high92.8Very high133 Ų13353.9 Ų53.958%0.57828%0.275SS*.EExtended strand (participates in β ladder)trans-85.8120178.1-156.3178.6-174.6171.60111.8W367K361-W367 HydrophobicContact CB-CD2 4.42Å; K361-W367 HydrophobicContact CB-CE3 3.72Å; K361-W367 HydrophobicContact CB-CH2 3.96Å; K361-W367 HydrophobicContact CB-CZ3 3.48Å; K361-W367 VanDerWaalsContact CB-CZ3 3.48Å; K361-W367 HydrophobicContact CD-CH2 3.63Å; K361-W367 HydrophobicContact CD-CZ2 3.78Å; K361-W367 HydrophobicContact CD-CZ3 4.07Å; K361-W367 HydrophobicContact CG-CD2 4.19Å; K361-W367 HydrophobicContact CG-CE3 3.97Å; K361-W367 HydrophobicContact CG-CH2 3.9Å; K361-W367 HydrophobicContact CG-CZ2 4.07Å; K361-W367 HydrophobicContact CG-CZ3 3.85Å
362Q88.4Confident92.7Very high81 Ų8153.2 Ų53.238%0.37927%0.272SS..PPolyproline II helixtrans-75.6162.7169.5-77.4-167.7-28.800112.4D364 G365 I366 L368Q362-D364 WeakPolarHBondContact CB-OD1 3.47Å; Q362-D364 PolarHBondContact O-N 2.76Å; Q362-D364 PolarHBondContact OE1-OD1 2.95Å; Q362-G365 PolarHBondContact O-N 2.6Å; Q362-I366 PolarHBondContact N-O 3.12Å; Q362-L368 HydrophobicContact CG-CD1 3.6Å; Q362-L368 HydrophobicContact CG-CG 3.92Å; Q362-L368 VanDerWaalsContact NE2-CD1 3.33Å
363K81.4Confident92.8Very high226 Ų22652 Ų5298%0.98327%0.266SS*.THydrogen-bonded Turntrans-60.8-27.1179-66.8-177.3-179.8177.50113.4G365K363-G365 VanDerWaalsContact C-N 3.29Å
364D79.4Confident92.8Very high69 Ų6947 Ų4737%0.36924%0.243SC..THydrogen-bonded Turntrans-88.86.9176.665.5-6.9000113.2Q20 Q362 I366Q20-D364 PolarHBondContact NE2-OD2 3.41Å; Q362-D364 WeakPolarHBondContact CB-OD1 3.47Å; Q362-D364 PolarHBondContact O-N 2.76Å; Q362-D364 PolarHBondContact OE1-OD1 2.95Å; D364-I366 PolarHBondContact OD1-N 2.75Å; D364-I366 VanDerWaalsContact OD2-CD1 3.31Å; D364-I366 WeakPolarHBondContact OD2-CD1 3.4Å
365G85.6Confident92.9Very high33 Ų3345.6 Ų45.634%0.3423%0.232SC..SBendtrans838.3175.100000115.3Q362 K363Q362-G365 PolarHBondContact O-N 2.6Å; K363-G365 VanDerWaalsContact C-N 3.29Å
366I89.9Confident92.9Very high2 Ų246.2 Ų46.21%0.0124%0.236CC..  trans-80.3138.8174.2-57.3173.9000110.5V17 Q20 T21 Q362 D364 L368V17-I366 HydrophobicContact CG1-CG2 4.21Å; V17-I366 HydrophobicContact CG2-CG2 4.4Å; Q20-I366 HydrophobicContact CB-CD1 3.72Å; Q20-I366 HydrophobicContact CG-CD1 4.12Å; T21-I366 HydrophobicContact CG2-CG2 4.03Å; Q362-I366 PolarHBondContact N-O 3.12Å; D364-I366 PolarHBondContact OD1-N 2.75Å; D364-I366 VanDerWaalsContact OD2-CD1 3.31Å; D364-I366 WeakPolarHBondContact OD2-CD1 3.4Å; I366-L368 HydrophobicContact CG2-CD2 4.01Å
367W92.8Very high92.9Very high106 Ų10646.4 Ų46.440%0.40225%0.245SC..EExtended strand (participates in β ladder)trans-92.4127.4173.3-60.9105.1000110.8L359 K361 Q404L359-W367 HydrophobicContact CB-CB 4.32Å; L359-W367 HydrophobicContact CB-CE3 3.83Å; L359-W367 HydrophobicContact CD1-CB 4.14Å; K361-W367 HydrophobicContact CB-CD2 4.42Å; K361-W367 HydrophobicContact CB-CE3 3.72Å; K361-W367 HydrophobicContact CB-CH2 3.96Å; K361-W367 HydrophobicContact CB-CZ3 3.48Å; K361-W367 VanDerWaalsContact CB-CZ3 3.48Å; K361-W367 HydrophobicContact CD-CH2 3.63Å; K361-W367 HydrophobicContact CD-CZ2 3.78Å; K361-W367 HydrophobicContact CD-CZ3 4.07Å; K361-W367 HydrophobicContact CG-CD2 4.19Å; K361-W367 HydrophobicContact CG-CE3 3.97Å; K361-W367 HydrophobicContact CG-CH2 3.9Å; K361-W367 HydrophobicContact CG-CZ2 4.07Å; K361-W367 HydrophobicContact CG-CZ3 3.85Å; W367-Q404 PolarHBondContact O-NE2 3.19Å
368L94.9Very high93Very high6 Ų648.6 Ų48.63%0.03125%0.245CC..EExtended strand (participates in β ladder)trans-111.5132.9179.6-58.1-174.4000111.1T21 L359 I360 Q362 I366 P370 P399T21-L368 HydrophobicContact CG2-CD2 3.76Å; L359-L368 WeakPolarHBondContact CD2-O 3.37Å; I360-L368 HydrophobicContact CB-CB 4.45Å; I360-L368 PolarHBondContact N-O 3.06Å; I360-L368 PolarHBondContact O-N 3.31Å; Q362-L368 HydrophobicContact CG-CD1 3.6Å; Q362-L368 HydrophobicContact CG-CG 3.92Å; Q362-L368 VanDerWaalsContact NE2-CD1 3.33Å; I366-L368 HydrophobicContact CG2-CD2 4.01Å; L368-P370 WeakPolarHBondContact O-CD 3.27Å; L368-P399 HydrophobicContact CB-CB 4.29Å; L368-P399 HydrophobicContact CD2-CB 4.08Å; L368-P399 HydrophobicContact CD2-CG 4Å
369L95.3Very high93Very high0 Ų051.5 Ų51.50%026%0.256CS..  trans-88.9113.4169.8-166.182.6000109.8P329 T333 L355 L359 P399 L400 G403P329-L369 HydrophobicContact CB-CD1 3.68Å; P329-L369 HydrophobicContact CB-CG 4.14Å; T333-L369 HydrophobicContact CG2-CD2 4.1Å; L355-L369 HydrophobicContact CD1-CD1 3.51Å; L355-L369 HydrophobicContact CD2-CD1 4.37Å; L355-L369 HydrophobicContact CG-CD1 4.09Å; L359-L369 HydrophobicContact CD2-CB 3.97Å; L359-L369 HydrophobicContact CD2-CD1 3.61Å; L359-L369 HydrophobicContact CD2-CG 4.43Å; L369-P399 CarbonylContact O-C 3.59Å; L369-P399 VanDerWaalsContact O-CA 3.25Å; L369-P399 WeakPolarHBondContact O-CA 3.25Å; L369-L400 PolarHBondContact O-N 2.98Å; L369-G403 VanDerWaalsContact CD2-CA 3.49Å
370P95.8Very high92.9Very high1 Ų151 Ų511%0.00625%0.254CS..  trans-71.9164.7175.231.7-34.4000111.8P329 I360 L368 Y373 P394 K397P329-P370 HydrophobicContact CG-CG 4.41Å; I360-P370 HydrophobicContact CD1-CB 4.06Å; I360-P370 HydrophobicContact CD1-CG 4.08Å; L368-P370 WeakPolarHBondContact O-CD 3.27Å; P370-Y373 HydrophobicContact CG-CD2 4.35Å; P370-Y373 HydrophobicContact CG-CE2 3.43Å; P370-Y373 VanDerWaalsContact CG-CE2 3.43Å; P370-Y373 WeakPolarHBondContact CG-OH 3.5Å; P370-P394 HydrophobicContact CB-CB 4.2Å; P370-P394 HydrophobicContact CG-CB 4.31Å; P370-K397 CarbonylContact C-O 3.56Å
371E95.3Very high93Very high13 Ų1353.8 Ų53.86%0.06127%0.266CS..SBendtrans-63.3-51.6175.4-177.4176.1-153.100111.7K302 W328 G396 K397 L400K302-E371 IonicContact NZ-OE1 3.08Å; K302-E371 IonicContact NZ-OE2 3.9Å; K302-E371 PolarHBondContact NZ-OE2 2.95Å; W328-E371 HydrophobicContact CE3-CG 4.27Å; W328-E371 HydrophobicContact CH2-CG 3.52Å; W328-E371 HydrophobicContact CZ2-CG 4.1Å; W328-E371 HydrophobicContact CZ3-CG 3.63Å; E371-G396 WeakPolarHBondContact OE2-CA 3.28Å; E371-K397 HydrophobicContact CB-CB 4.17Å; E371-K397 WeakPolarHBondContact CB-O 3.37Å; E371-K397 PolarHBondContact N-O 3.36Å; E371-K397 PolarHBondContact OE2-N 2.95Å; E371-L400 HydrophobicContact CB-CB 4.19Å; E371-L400 HydrophobicContact CG-CD1 4.35Å; E371-L400 HydrophobicContact CG-CD2 4.49Å
372L96.9Very high93.1Very high0 Ų052.5 Ų52.50%026%0.262CS..EExtended strand (participates in β ladder)trans-156.8167.6-17759.280.2000113.4K302 C326 E327 W328 M395K302-L372 HydrophobicContact CB-CD1 4.34Å; K302-L372 HydrophobicContact CB-CD2 4.17Å; K302-L372 HydrophobicContact CD-CD2 4.06Å; K302-L372 HydrophobicContact CG-CD2 4.37Å; C326-L372 HydrophobicContact CB-CB 4.22Å; C326-L372 HydrophobicContact CB-CD1 3.92Å; C326-L372 HydrophobicContact CB-CD2 4Å; 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 3.4Å; W328-L372 HydrophobicContact CD2-CB 4.2Å; W328-L372 HydrophobicContact CG-CB 4.14Å; W328-L372 HydrophobicContact CZ2-CD2 3.68Å; L372-M395 HydrophobicContact CD1-CB 3.6Å; L372-M395 PolarHBondContact N-O 3.49Å; L372-M395 PolarHBondContact O-N 3.35Å
373Y97.8Very high93.4Very high10 Ų1048.7 Ų48.74%0.03924%0.244CC..EExtended strand (participates in β ladder)trans-116.2125.1170.9-74.3-97.5000110.8Y291 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 3.78Å; Y291-Y373 HydrophobicContact CD1-CE1 3.78Å; Y291-Y373 HydrophobicContact CD1-CE2 4.43Å; Y291-Y373 AromaticContact CD1-CG 3.72Å; Y291-Y373 HydrophobicContact CD1-CG 3.72Å; Y291-Y373 AromaticContact CE1-CD1 3.93Å; Y291-Y373 HydrophobicContact CE1-CD1 3.93Å; Y291-Y373 HydrophobicContact CE1-CE1 4.16Å; Y291-Y373 HydrophobicContact CG-CD1 4.07Å; Y291-Y373 HydrophobicContact CG-CD2 4.31Å; Y291-Y373 AromaticContact CG-CG 3.87Å; Y291-Y373 HydrophobicContact CG-CG 3.87Å; C326-Y373 WeakPolarHBondContact CA-O 3.39Å; E327-Y373 PolarHBondContact N-O 3.23Å; E327-Y373 PolarHBondContact O-N 2.93Å; P329-Y373 HydrophobicContact CG-CD2 3.67Å; P329-Y373 HydrophobicContact CG-CE2 3.48Å; P329-Y373 VanDerWaalsContact CG-CE2 3.48Å; I358-Y373 HydrophobicContact CB-CE2 4.38Å; I358-Y373 HydrophobicContact CD1-CE2 4.01Å; I358-Y373 PolarHBondContact O-OH 2.89Å; P370-Y373 HydrophobicContact CG-CD2 4.35Å; P370-Y373 HydrophobicContact CG-CE2 3.43Å; P370-Y373 VanDerWaalsContact CG-CE2 3.43Å; P370-Y373 WeakPolarHBondContact CG-OH 3.5Å; Y373-R392 HydrophobicContact CD1-CB 4.45Å; Y373-R392 PolarHBondContact O-NH1 3.37Å; Y373-I393 WeakPolarHBondContact CA-O 3.46Å; Y373-P394 HydrophobicContact CD1-CB 4.33Å; Y373-P394 HydrophobicContact CE1-CB 3.91Å; Y373-P394 HydrophobicContact CE1-CG 4.42Å
374S97.2Very high94Very high6 Ų641 Ų414%0.04221%0.209CC..EExtended strand (participates in β ladder)trans-114.3150.6-177.3-165.10000111.6K302 C326 R392 I393K302-S374 PolarHBondContact O-OG 3.49Å; C326-S374 PolarHBondContact SG-OG 3.42Å; C326-S374 VanDerWaalsContact SG-OG 3.4Å; S374-R392 CarbonylContact O-C 3.58Å; S374-R392 WeakPolarHBondContact O-CA 3.46Å; S374-R392 WeakPolarHBondContact O-CB 3.37Å; S374-I393 PolarHBondContact N-O 3.01Å; S374-I393 WeakPolarHBondContact O-CG1 3.34Å; S374-I393 PolarHBondContact O-N 3.44Å
375V97.1Very high94.7Very high1 Ų143.8 Ų43.81%0.00623%0.229CC..  trans-66.4136.9173.8-178.50000108.7P304 I324 V380 E383 V390 R392P304-V375 HydrophobicContact CG-CB 4.3Å; P304-V375 WeakPolarHBondContact CG-O 3.5Å; I324-V375 HydrophobicContact CB-CG2 4.33Å; V375-V380 HydrophobicContact CG1-CG2 4.38Å; V375-E383 HydrophobicContact CG1-CB 4.17Å; V375-E383 HydrophobicContact CG2-CG 4.09Å; V375-V390 HydrophobicContact CG1-CG1 4.12Å; V375-R392 HydrophobicContact CG2-CG 4.38Å
376P96.3Very high95Very high14 Ų1447 Ų479%0.09124%0.238CC..  trans-59.5135.4172.6-24.535.1000111.6D378 K379 V390 E391 I393P376-D378 WeakPolarHBondContact CB-OD1 3.11Å; P376-D378 PolarHBondContact O-N 3.01Å; P376-D378 VanDerWaalsContact O-N 3.1Å; P376-K379 HydrophobicContact CB-CB 4.37Å; P376-K379 HydrophobicContact CB-CG 4.36Å; P376-K379 HydrophobicContact CG-CD 4.45Å; P376-K379 PolarHBondContact O-N 3.28Å; P376-V390 HydrophobicContact CG-CG1 4.41Å; P376-E391 WeakPolarHBondContact CD-O 3.48Å; P376-E391 WeakPolarHBondContact CG-O 2.98Å; P376-I393 HydrophobicContact CG-CG2 4.23Å
377P94.3Very high95.1Very high97 Ų9749.1 Ų49.163%0.6325%0.252SS*.G310 helixtrans-56-30.1-177.3-27.634.9000114.9P304 K379P304-P377 HydrophobicContact CB-CB 4.3Å; P304-P377 HydrophobicContact CB-CG 4.34Å; P377-K379 VanDerWaalsContact C-N 3.31Å
378D95.7Very high95Very high134 Ų13448.3 Ų48.372%0.71725%0.253SS*.G310 helixtrans-77-12.6178.658.9-55.5000114.2P376P376-D378 WeakPolarHBondContact CB-OD1 3.11Å; P376-D378 PolarHBondContact O-N 3.01Å; P376-D378 VanDerWaalsContact O-N 3.1Å
379K95.6Very high94.9Very high81 Ų8150 Ų5035%0.35227%0.265SS..G310 helixtrans-116.410.3-175.6-62.2-167.9177.1-172.50114.6P376 P377 E381 E382 E383 V390P376-K379 HydrophobicContact CB-CB 4.37Å; P376-K379 HydrophobicContact CB-CG 4.36Å; P376-K379 HydrophobicContact CG-CD 4.45Å; P376-K379 PolarHBondContact O-N 3.28Å; P377-K379 VanDerWaalsContact C-N 3.31Å; K379-E381 VanDerWaalsContact C-N 3.3Å; K379-E381 PolarHBondContact O-N 3.11Å; K379-E382 WeakPolarHBondContact O-CB 3.36Å; K379-E382 PolarHBondContact O-N 3.46Å; K379-E383 PolarHBondContact O-N 3.03Å; K379-V390 HydrophobicContact CB-CG1 3.7Å; K379-V390 HydrophobicContact CB-CG2 4.18Å; K379-V390 HydrophobicContact CD-CG1 3.71Å; K379-V390 HydrophobicContact CG-CG1 4.38Å
380V94.4Very high94.9Very high4 Ų450.1 Ų50.12%0.02427%0.266CS..Hα-helixtrans-58.4-41.7-179.2173.70000112.1P304 R305 I324 V375 E382 E383 Y384P304-V380 HydrophobicContact CB-CG2 3.61Å; P304-V380 HydrophobicContact CG-CG2 3.81Å; R305-V380 HydrophobicContact CG-CG1 4.32Å; I324-V380 HydrophobicContact CD1-CG1 4.35Å; I324-V380 HydrophobicContact CG2-CG1 4.43Å; V375-V380 HydrophobicContact CG1-CG2 4.38Å; V380-E382 VanDerWaalsContact C-N 3.32Å; V380-E382 PolarHBondContact O-N 3.15Å; V380-E383 PolarHBondContact O-N 3.34Å; V380-Y384 HydrophobicContact CG1-CD2 3.99Å; V380-Y384 HydrophobicContact CG1-CE2 3.44Å; V380-Y384 VanDerWaalsContact CG1-CE2 3.44Å; V380-Y384 WeakPolarHBondContact O-CD2 3.29Å; V380-Y384 PolarHBondContact O-N 3.4Å; V380-Y384 VanDerWaalsContact O-N 3.07Å
381E95.6Very high94.8Very high113 Ų11356.8 Ų56.853%0.52830%0.297SS..Hα-helixtrans-66.4-34179.6-58.9-54.3128.600112.6R305 K379 V385R305-E381 IonicContact CZ-OE1 3.79Å; R305-E381 IonicContact NH2-OE1 3.54Å; R305-E381 PolarHBondContact NH2-OE1 3.49Å; K379-E381 VanDerWaalsContact C-N 3.3Å; K379-E381 PolarHBondContact O-N 3.11Å; E381-V385 WeakPolarHBondContact O-CG2 3.26Å; E381-V385 PolarHBondContact O-N 3.42Å
382E94.9Very high94.9Very high106 Ų10656.8 Ų56.850%0.49530%0.296SS..Hα-helixtrans-65.9-43.2175.6-176178.4-176.200110.8K379 V380 Y384 V385 N386 V390K379-E382 WeakPolarHBondContact O-CB 3.36Å; K379-E382 PolarHBondContact O-N 3.46Å; V380-E382 VanDerWaalsContact C-N 3.32Å; V380-E382 PolarHBondContact O-N 3.15Å; E382-Y384 PolarHBondContact O-N 3.32Å; E382-V385 PolarHBondContact O-N 2.95Å; E382-N386 PolarHBondContact O-N 3.08Å; E382-V390 HydrophobicContact CB-CG2 3.93Å; E382-V390 HydrophobicContact CG-CG2 3.83Å
383E94.7Very high94.8Very high0 Ų060.3 Ų60.30%031%0.314CS..Hα-helixtrans-65.9-36.7178.1-171.570.8174.600112.3I324 V375 K379 V380 V385 N386 P387 H388 S389 V390 R392I324-E383 HydrophobicContact CG2-CB 4.28Å; I324-E383 HydrophobicContact CG2-CG 4.01Å; V375-E383 HydrophobicContact CG1-CB 4.17Å; V375-E383 HydrophobicContact CG2-CG 4.09Å; K379-E383 PolarHBondContact O-N 3.03Å; V380-E383 PolarHBondContact O-N 3.34Å; E383-V385 VanDerWaalsContact C-N 3.34Å; E383-V385 PolarHBondContact O-N 3.1Å; E383-N386 CarbonylContact O-C 3.51Å; E383-N386 VanDerWaalsContact O-C 3.22Å; E383-N386 PolarHBondContact O-N 3.46Å; E383-P387 VanDerWaalsContact O-CA 3.27Å; E383-P387 WeakPolarHBondContact O-CA 3.36Å; E383-P387 VanDerWaalsContact O-N 3.1Å; E383-H388 VanDerWaalsContact CD-N 3.33Å; E383-H388 VanDerWaalsContact OE1-CA 3.27Å; E383-H388 WeakPolarHBondContact OE1-CA 3.24Å; E383-H388 PolarHBondContact OE1-N 2.9Å; E383-H388 PolarHBondContact OE2-N 3.47Å; E383-S389 PolarHBondContact OE2-N 3.07Å; E383-S389 VanDerWaalsContact OE2-N 3.16Å; E383-V390 HydrophobicContact CB-CB 4.36Å; E383-V390 HydrophobicContact CB-CG2 3.92Å; E383-V390 VanDerWaalsContact OE2-CB 3.29Å; E383-V390 WeakPolarHBondContact OE2-CB 3.46Å; E383-V390 WeakPolarHBondContact OE2-CG2 3.32Å; E383-V390 PolarHBondContact OE2-N 3.09Å; E383-R392 IonicContact OE1-NH2 3.35Å
384Y93.9Very high94.8Very high64 Ų6462.8 Ų62.825%0.25133%0.331SS..Hα-helixtrans-64.3-37.3174.3-74-44.9000113.2L320 E322 I324 V380 E382L320-Y384 WeakPolarHBondContact O-CE1 3.49Å; L320-Y384 PolarHBondContact O-OH 3.3Å; E322-Y384 WeakPolarHBondContact O-CE1 3.33Å; I324-Y384 HydrophobicContact CD1-CE1 4.38Å; I324-Y384 WeakPolarHBondContact CD1-OH 3.34Å; I324-Y384 HydrophobicContact CG1-CE1 4.29Å; I324-Y384 HydrophobicContact CG2-CD1 3.98Å; I324-Y384 HydrophobicContact CG2-CE1 3.68Å; V380-Y384 HydrophobicContact CG1-CD2 3.99Å; V380-Y384 HydrophobicContact CG1-CE2 3.44Å; V380-Y384 VanDerWaalsContact CG1-CE2 3.44Å; V380-Y384 WeakPolarHBondContact O-CD2 3.29Å; V380-Y384 PolarHBondContact O-N 3.4Å; V380-Y384 VanDerWaalsContact O-N 3.07Å; E382-Y384 PolarHBondContact O-N 3.32Å
385V94.4Very high94.6Very high129 Ų12966.7 Ų66.778%0.78235%0.35SS*.Hα-helixtrans-72.9-39.9-179.7172.90000110.8E381 E382 E383E381-V385 WeakPolarHBondContact O-CG2 3.26Å; E381-V385 PolarHBondContact O-N 3.42Å; E382-V385 PolarHBondContact O-N 2.95Å; E383-V385 VanDerWaalsContact C-N 3.34Å; E383-V385 PolarHBondContact O-N 3.1Å
386N92.9Very high94.2Very high99 Ų9968.6 Ų68.653%0.52937%0.37SS..SBendtrans-136.487.5-179.8-170.135.9000110.4E382 E383 S389E382-N386 PolarHBondContact O-N 3.08Å; E383-N386 CarbonylContact O-C 3.51Å; E383-N386 VanDerWaalsContact O-C 3.22Å; E383-N386 PolarHBondContact O-N 3.46Å; N386-S389 VanDerWaalsContact ND2-CB 3.27Å; N386-S389 WeakPolarHBondContact ND2-CB 3.45Å; N386-S389 WeakPolarHBondContact O-CB 3.48Å; N386-S389 PolarHBondContact O-N 2.86Å; N386-S389 PolarHBondContact O-OG 3.38Å
387P91.8Very high94Very high48 Ų4869.6 Ų69.631%0.31237%0.373SS..THydrogen-bonded Turntrans-54144.6-178.4-29.836.9000113.4N323 E383 S389N323-P387 HydrophobicContact CB-CB 4.13Å; N323-P387 HydrophobicContact CB-CG 4.07Å; E383-P387 VanDerWaalsContact O-CA 3.27Å; E383-P387 WeakPolarHBondContact O-CA 3.36Å; E383-P387 VanDerWaalsContact O-N 3.1Å; P387-S389 PolarHBondContact O-N 3.36Å
388H89.9Confident93.9Very high89 Ų8967.9 Ų67.941%0.41236%0.363SS..THydrogen-bonded Turntrans64.317.1-178.7-48.2-72.1000115.5R290 E327 E383R290-H388 VanDerWaalsContact CZ-O 3.28Å; R290-H388 PolarHBondContact NE-O 3.46Å; R290-H388 PolarHBondContact NH2-O 3.02Å; E327-H388 IonicContact OE1-ND1 3.81Å; E383-H388 VanDerWaalsContact CD-N 3.33Å; E383-H388 VanDerWaalsContact OE1-CA 3.27Å; E383-H388 WeakPolarHBondContact OE1-CA 3.24Å; E383-H388 PolarHBondContact OE1-N 2.9Å; E383-H388 PolarHBondContact OE2-N 3.47Å
389S92.9Very high93.7Very high41 Ų4162.6 Ų62.629%0.28734%0.336SS..  trans-93.2-30.2-179.368.50000113.4R290 E383 N386 P387R290-S389 VanDerWaalsContact NH2-C 3.3Å; R290-S389 PolarHBondContact NH2-O 2.97Å; E383-S389 PolarHBondContact OE2-N 3.07Å; E383-S389 VanDerWaalsContact OE2-N 3.16Å; N386-S389 VanDerWaalsContact ND2-CB 3.27Å; N386-S389 WeakPolarHBondContact ND2-CB 3.45Å; N386-S389 WeakPolarHBondContact O-CB 3.48Å; N386-S389 PolarHBondContact O-N 2.86Å; N386-S389 PolarHBondContact O-OG 3.38Å; P387-S389 PolarHBondContact O-N 3.36Å
390V94.7Very high93.7Very high3 Ų359 Ų592%0.01832%0.32CS..SBendtrans-81133.3-1751760000111.9R290 V375 P376 K379 E382 E383 R392R290-V390 PolarHBondContact NH2-O 2.86Å; V375-V390 HydrophobicContact CG1-CG1 4.12Å; P376-V390 HydrophobicContact CG-CG1 4.41Å; K379-V390 HydrophobicContact CB-CG1 3.7Å; K379-V390 HydrophobicContact CB-CG2 4.18Å; K379-V390 HydrophobicContact CD-CG1 3.71Å; K379-V390 HydrophobicContact CG-CG1 4.38Å; E382-V390 HydrophobicContact CB-CG2 3.93Å; E382-V390 HydrophobicContact CG-CG2 3.83Å; E383-V390 HydrophobicContact CB-CB 4.36Å; E383-V390 HydrophobicContact CB-CG2 3.92Å; E383-V390 VanDerWaalsContact OE2-CB 3.29Å; E383-V390 WeakPolarHBondContact OE2-CB 3.46Å; E383-V390 WeakPolarHBondContact OE2-CG2 3.32Å; E383-V390 PolarHBondContact OE2-N 3.09Å; V390-R392 PolarHBondContact O-N 3.16Å
391E95.5Very high93.7Very high140 Ų14059.7 Ų59.765%0.65432%0.323SS*.PPolyproline II helixtrans-66.4128.5170.4-70.4-170.2166.500111.1Y291 P376Y291-E391 WeakPolarHBondContact OH-CA 3.07Å; P376-E391 WeakPolarHBondContact CD-O 3.48Å; P376-E391 WeakPolarHBondContact CG-O 2.98Å
392R96.1Very high93.7Very high13 Ų1354.6 Ų54.65%0.04930%0.299CS..PPolyproline II helixtrans-95.4151.5-175.4-64.8176.3169.5-119.84.6111.8Y291 E325 E327 Y373 S374 V375 E383 V390Y291-R392 HydrophobicContact CD2-CB 3.97Å; Y291-R392 HydrophobicContact CD2-CG 4.14Å; Y291-R392 HydrophobicContact CE2-CB 3.71Å; Y291-R392 HydrophobicContact CE2-CG 3.92Å; Y291-R392 PolarHBondContact OH-N 2.96Å; E325-R392 VanDerWaalsContact O-CZ 3.31Å; E325-R392 PolarHBondContact O-NH1 3.49Å; E325-R392 PolarHBondContact O-NH2 3.06Å; E325-R392 VanDerWaalsContact O-NH2 3.1Å; E327-R392 IonicContact OE1-CZ 2.61Å; E327-R392 IonicContact OE1-NE 3.56Å; E327-R392 PolarHBondContact OE1-NE 3.33Å; E327-R392 IonicContact OE1-NH2 2.66Å; Y373-R392 HydrophobicContact CD1-CB 4.45Å; Y373-R392 PolarHBondContact O-NH1 3.37Å; S374-R392 CarbonylContact O-C 3.58Å; S374-R392 WeakPolarHBondContact O-CA 3.46Å; S374-R392 WeakPolarHBondContact O-CB 3.37Å; V375-R392 HydrophobicContact CG2-CG 4.38Å; E383-R392 IonicContact OE1-NH2 3.35Å; V390-R392 PolarHBondContact O-N 3.16Å
393I96.3Very high93.7Very high74 Ų7449.6 Ų49.638%0.37928%0.275SS..EExtended strand (participates in β ladder)trans-103.9141.3179.455.5169.2000111.2Y373 S374 P376 M395Y373-I393 WeakPolarHBondContact CA-O 3.46Å; S374-I393 PolarHBondContact N-O 3.01Å; S374-I393 WeakPolarHBondContact O-CG1 3.34Å; S374-I393 PolarHBondContact O-N 3.44Å; P376-I393 HydrophobicContact CG-CG2 4.23Å; I393-M395 HydrophobicContact CD1-CG 4.47Å; I393-M395 HydrophobicContact CG1-CG 4.36Å; I393-M395 PolarHBondContact O-N 3.34Å
394P95.9Very high93.8Very high62 Ų6249.6 Ų49.640%0.40328%0.276SS..EExtended strand (participates in β ladder)trans-67.9134.1176.728.6-34000110.4I360 P370 Y373I360-P394 HydrophobicContact CD1-CB 3.66Å; I360-P394 HydrophobicContact CD1-CG 3.86Å; P370-P394 HydrophobicContact CB-CB 4.2Å; P370-P394 HydrophobicContact CG-CB 4.31Å; Y373-P394 HydrophobicContact CD1-CB 4.33Å; Y373-P394 HydrophobicContact CE1-CB 3.91Å; Y373-P394 HydrophobicContact CE1-CG 4.42Å
395M93.3Very high94Very high89 Ų8946.6 Ų46.644%0.43826%0.264SS..EExtended strand (participates in β ladder)trans-139.2160.4-178.6-76.7-69-74.800110.9L372 I393L372-M395 HydrophobicContact CD1-CB 3.6Å; L372-M395 PolarHBondContact N-O 3.49Å; L372-M395 PolarHBondContact O-N 3.35Å; I393-M395 HydrophobicContact CD1-CG 4.47Å; I393-M395 HydrophobicContact CG1-CG 4.36Å; I393-M395 PolarHBondContact O-N 3.34Å
396G90.1Very high94.1Very high41 Ų4140.4 Ų40.442%0.42323%0.226SC..SBendtrans81.8-151.5178.600000114.5E371E371-G396 WeakPolarHBondContact OE2-CA 3.28Å
397K90.9Very high94.3Very high35 Ų3537.2 Ų37.215%0.15221%0.207CC..  trans-66.5132.5-176.6-60.6171.1-177.9169.20110.3Q39 D46 P370 E371 L400Q39-K397 VanDerWaalsContact OE1-CE 3.31Å; D46-K397 IonicContact OD2-NZ 2.73Å; P370-K397 CarbonylContact C-O 3.56Å; E371-K397 HydrophobicContact CB-CB 4.17Å; E371-K397 WeakPolarHBondContact CB-O 3.37Å; E371-K397 PolarHBondContact N-O 3.36Å; E371-K397 PolarHBondContact OE2-N 2.95Å; K397-L400 HydrophobicContact CD-CD1 4.13Å; K397-L400 PolarHBondContact O-N 2.96Å
398C91.8Very high94.6Very high61 Ų6135 Ų3541%0.41219%0.193SC..SBendtrans-140.2107.8175.1-169.60000110.9
399P92.8Very high95Very high23 Ų2330.8 Ų30.815%0.14917%0.173CC..SBendcis-73.8152.5-1.631.6-34000112.5T21 L368 L369 K401 Q404T21-P399 HydrophobicContact CG2-CG 4.45Å; L368-P399 HydrophobicContact CB-CB 4.29Å; L368-P399 HydrophobicContact CD2-CB 4.08Å; L368-P399 HydrophobicContact CD2-CG 4Å; L369-P399 CarbonylContact O-C 3.59Å; L369-P399 VanDerWaalsContact O-CA 3.25Å; L369-P399 WeakPolarHBondContact O-CA 3.25Å; P399-K401 PolarHBondContact O-N 3.4Å; P399-Q404 HydrophobicContact CB-CB 4.08Å; P399-Q404 HydrophobicContact CB-CG 4.21Å
400L94.3Very high95.2Very high4 Ų429 Ų292%0.02116%0.161CC..  trans-73.4105.4156.7176.367.4000107.8W328 L330 L369 E371 K397 W402 G403 Q404W328-L400 HydrophobicContact CE3-CD2 4.32Å; W328-L400 HydrophobicContact CZ3-CD2 4.11Å; L330-L400 HydrophobicContact CB-CD2 4.46Å; L330-L400 HydrophobicContact CD2-CD2 4.41Å; L369-L400 PolarHBondContact O-N 2.98Å; E371-L400 HydrophobicContact CB-CB 4.19Å; E371-L400 HydrophobicContact CG-CD1 4.35Å; E371-L400 HydrophobicContact CG-CD2 4.49Å; K397-L400 HydrophobicContact CD-CD1 4.13Å; K397-L400 PolarHBondContact O-N 2.96Å; L400-W402 HydrophobicContact CG-CB 4.29Å; L400-W402 PolarHBondContact O-N 3.36Å; L400-W402 VanDerWaalsContact O-N 3.17Å; L400-G403 PolarHBondContact O-N 3.33Å; L400-G403 VanDerWaalsContact O-N 3.09Å; L400-Q404 WeakPolarHBondContact O-CB 3.21Å; L400-Q404 PolarHBondContact O-N 3.34Å
401K95.3Very high95.2Very high19 Ų1930 Ų308%0.08317%0.165CC..Hα-helixtrans-55.8-36.5-173.5-58.3-172.4-170.182.40113.5P34 G35 S50 P399 S405P34-K401 PolarHBondContact O-NZ 3.15Å; G35-K401 PolarHBondContact O-NZ 2.87Å; S50-K401 WeakPolarHBondContact OG-CB 3.43Å; P399-K401 PolarHBondContact O-N 3.4Å; K401-S405 VanDerWaalsContact O-CB 3.23Å; K401-S405 WeakPolarHBondContact O-CB 3.39Å; K401-S405 PolarHBondContact O-N 3.17Å
402W94.9Very high95.3Very high7 Ų723.3 Ų23.33%0.02713%0.134CC..Hα-helixtrans-56.6-60.2172.3176.20.8000111.5R45 Y49 M183 L330 Y334 L400 Q404 S405 L406R45-W402 HydrophobicContact CG-CH2 4.4Å; R45-W402 HydrophobicContact CG-CZ3 4.36Å; Y49-W402 AromaticContact CD1-CD1 3.8Å; Y49-W402 AromaticContact CD1-NE1 3.42Å; Y49-W402 AromaticContact CD2-CD1 3.78Å; Y49-W402 AromaticContact CD2-CD2 3.71Å; Y49-W402 HydrophobicContact CD2-CD2 3.71Å; Y49-W402 AromaticContact CD2-CE2 3.26Å; Y49-W402 HydrophobicContact CD2-CE3 4.38Å; Y49-W402 HydrophobicContact CD2-CG 4.02Å; Y49-W402 HydrophobicContact CD2-CH2 4.29Å; Y49-W402 AromaticContact CD2-CZ2 3.58Å; Y49-W402 HydrophobicContact CD2-CZ2 3.58Å; Y49-W402 AromaticContact CD2-NE1 3.31Å; Y49-W402 VanDerWaalsContact CD2-NE1 3.31Å; Y49-W402 AromaticContact CE1-NE1 3.71Å; Y49-W402 HydrophobicContact CE2-CD2 4.24Å; Y49-W402 AromaticContact CE2-CE2 3.39Å; Y49-W402 AromaticContact CE2-CH2 3.94Å; Y49-W402 HydrophobicContact CE2-CH2 3.94Å; Y49-W402 AromaticContact CE2-CZ2 3.19Å; Y49-W402 HydrophobicContact CE2-CZ2 3.19Å; Y49-W402 AromaticContact CE2-NE1 3.61Å; Y49-W402 AromaticContact CG-CD1 3.38Å; Y49-W402 HydrophobicContact CG-CD2 4.13Å; Y49-W402 AromaticContact CG-CE2 3.71Å; Y49-W402 AromaticContact CG-CG 3.94Å; Y49-W402 HydrophobicContact CG-CG 3.94Å; Y49-W402 HydrophobicContact CG-CZ2 4.39Å; Y49-W402 AromaticContact CG-NE1 3.21Å; Y49-W402 AromaticContact CZ-CE2 3.94Å; Y49-W402 AromaticContact CZ-CZ2 3.74Å; Y49-W402 AromaticContact CZ-NE1 3.81Å; M183-W402 HydrophobicContact CE-CH2 3.61Å; M183-W402 HydrophobicContact CE-CZ2 4.25Å; L330-W402 HydrophobicContact CD1-CD2 4.3Å; L330-W402 HydrophobicContact CD1-CG 4.11Å; L330-W402 HydrophobicContact CD2-CD2 4.02Å; L330-W402 HydrophobicContact CD2-CE3 4.21Å; L330-W402 HydrophobicContact CD2-CH2 4.37Å; L330-W402 HydrophobicContact CD2-CZ2 4.2Å; L330-W402 HydrophobicContact CD2-CZ3 4.36Å; Y334-W402 HydrophobicContact CE2-CZ2 4.48Å; Y334-W402 WeakPolarHBondContact OH-CZ2 3.4Å; Y334-W402 PolarHBondContact OH-NE1 3.23Å; Y334-W402 VanDerWaalsContact OH-NE1 3.12Å; L400-W402 HydrophobicContact CG-CB 4.29Å; L400-W402 PolarHBondContact O-N 3.36Å; L400-W402 VanDerWaalsContact O-N 3.17Å; W402-Q404 VanDerWaalsContact C-N 3.35Å; W402-Q404 PolarHBondContact O-N 3.04Å; W402-S405 WeakPolarHBondContact O-CB 3.46Å; W402-S405 PolarHBondContact O-N 3.09Å; W402-L406 PolarHBondContact O-N 3.02Å; W402-L406 VanDerWaalsContact O-N 3.14Å
403G95.8Very high95.3Very high0 Ų023.2 Ų23.20%013%0.134CC..Hα-helixtrans-67-35.4-178.200000112.9L330 L369 L400 S405 L406 Y407L330-G403 VanDerWaalsContact CD1-CA 3.47Å; L369-G403 VanDerWaalsContact CD2-CA 3.49Å; L400-G403 PolarHBondContact O-N 3.33Å; L400-G403 VanDerWaalsContact O-N 3.09Å; G403-S405 VanDerWaalsContact C-N 3.3Å; G403-S405 PolarHBondContact O-N 3.01Å; G403-L406 PolarHBondContact O-N 3.26Å; G403-Y407 WeakPolarHBondContact O-CB 3.29Å; G403-Y407 PolarHBondContact O-N 3.46Å
404Q96.7Very high95.1Very high1 Ų122.1 Ų22.11%0.00513%0.133CC..Hα-helixtrans-59.2-42173.2-17170.434.300111.6W367 P399 L400 W402 Y407 I408W367-Q404 PolarHBondContact O-NE2 3.19Å; P399-Q404 HydrophobicContact CB-CB 4.08Å; P399-Q404 HydrophobicContact CB-CG 4.21Å; L400-Q404 WeakPolarHBondContact O-CB 3.21Å; L400-Q404 PolarHBondContact O-N 3.34Å; W402-Q404 VanDerWaalsContact C-N 3.35Å; W402-Q404 PolarHBondContact O-N 3.04Å; Q404-Y407 PolarHBondContact O-N 3.14Å; Q404-I408 HydrophobicContact CG-CD1 4.09Å; Q404-I408 WeakPolarHBondContact O-CD1 3.44Å; Q404-I408 VanDerWaalsContact O-CG1 3.26Å; Q404-I408 WeakPolarHBondContact O-CG1 3.31Å; Q404-I408 PolarHBondContact O-N 2.96Å
405S97.8Very high95Very high0 Ų022.7 Ų22.70%013%0.13CC..Hα-helixtrans-63.7-47.4177.6-179.80000111.6Y49 S50 S53 K401 W402 G403 Y407 I408 L409Y49-S405 WeakPolarHBondContact O-CB 3.41Å; Y49-S405 PolarHBondContact O-OG 2.81Å; S50-S405 PolarHBondContact O-OG 2.85Å; S50-S405 VanDerWaalsContact O-OG 3.11Å; S53-S405 WeakPolarHBondContact CB-O 3.48Å; S53-S405 VanDerWaalsContact CB-OG 3.29Å; S53-S405 WeakPolarHBondContact CB-OG 3.37Å; S53-S405 PolarHBondContact N-OG 3.35Å; S53-S405 PolarHBondContact OG-OG 3.19Å; S53-S405 VanDerWaalsContact OG-OG 3.1Å; K401-S405 VanDerWaalsContact O-CB 3.23Å; K401-S405 WeakPolarHBondContact O-CB 3.39Å; K401-S405 PolarHBondContact O-N 3.17Å; W402-S405 WeakPolarHBondContact O-CB 3.46Å; W402-S405 PolarHBondContact O-N 3.09Å; G403-S405 VanDerWaalsContact C-N 3.3Å; G403-S405 PolarHBondContact O-N 3.01Å; S405-Y407 VanDerWaalsContact C-N 3.34Å; S405-Y407 PolarHBondContact O-N 3.4Å; S405-I408 PolarHBondContact O-N 3.49Å; S405-L409 PolarHBondContact O-N 2.84Å
406L97.4Very high95Very high0 Ų021 Ų210%014%0.135CC..Hα-helixtrans-66.2-35.3177.5-64.7-175.4000112.8Y49 Y265 L330 T333 Y334 L337 W402 G403 L409 G410Y49-L406 HydrophobicContact CD1-CD2 4.35Å; Y265-L406 HydrophobicContact CE1-CD2 4.49Å; L330-L406 HydrophobicContact CD1-CD1 4.05Å; T333-L406 WeakPolarHBondContact OG1-CB 3.24Å; Y334-L406 HydrophobicContact CD1-CD1 4.41Å; Y334-L406 HydrophobicContact CD2-CD1 4.4Å; Y334-L406 HydrophobicContact CE1-CD1 3.86Å; Y334-L406 HydrophobicContact CE2-CD1 3.87Å; L337-L406 HydrophobicContact CD1-CB 4.39Å; L337-L406 HydrophobicContact CD1-CD2 4.17Å; W402-L406 PolarHBondContact O-N 3.02Å; W402-L406 VanDerWaalsContact O-N 3.14Å; G403-L406 PolarHBondContact O-N 3.26Å; L406-L409 HydrophobicContact CD2-CD2 4.39Å; L406-L409 PolarHBondContact O-N 3.19Å; L406-G410 PolarHBondContact O-N 3.26Å
407Y97.1Very high95.2Very high32 Ų3219.7 Ų19.713%0.12512%0.118CC..Hα-helixtrans-60.6-48.4172.5170.2-110.2000112L355 L359 G403 Q404 S405 L409 G410 K411L355-Y407 HydrophobicContact CD2-CD2 3.38Å; L355-Y407 HydrophobicContact CD2-CE2 3.81Å; L355-Y407 HydrophobicContact CD2-CG 4.36Å; L359-Y407 HydrophobicContact CD1-CE1 4.25Å; L359-Y407 HydrophobicContact CD1-CE2 3.89Å; L359-Y407 WeakPolarHBondContact CD1-OH 3.48Å; G403-Y407 WeakPolarHBondContact O-CB 3.29Å; G403-Y407 PolarHBondContact O-N 3.46Å; Q404-Y407 PolarHBondContact O-N 3.14Å; S405-Y407 VanDerWaalsContact C-N 3.34Å; S405-Y407 PolarHBondContact O-N 3.4Å; Y407-L409 VanDerWaalsContact C-N 3.34Å; Y407-L409 PolarHBondContact O-N 2.82Å; Y407-G410 PolarHBondContact O-N 2.97Å; Y407-K411 HydrophobicContact CD2-CG 4.46Å; Y407-K411 HydrophobicContact CE1-CG 4.46Å; Y407-K411 HydrophobicContact CE2-CG 4.02Å; Y407-K411 PolarHBondContact O-N 3.41Å; Y407-K411 WeakPolarHBondContact OH-CE 3.19Å
408I97.3Very high95.4Very high2 Ų218.2 Ų18.21%0.0111%0.112CC..Hα-helixtrans-62.3-43.5177.7-66.9163.6000110.5Y14 V17 V18 Q404 S405 K411 L412Y14-I408 HydrophobicContact CD1-CG2 4.1Å; V17-I408 HydrophobicContact CG1-CD1 3.9Å; V17-I408 HydrophobicContact CG1-CG1 4.41Å; V18-I408 HydrophobicContact CG2-CD1 3.95Å; V18-I408 HydrophobicContact CG2-CG2 4.22Å; Q404-I408 HydrophobicContact CG-CD1 4.09Å; Q404-I408 WeakPolarHBondContact O-CD1 3.44Å; Q404-I408 VanDerWaalsContact O-CG1 3.26Å; Q404-I408 WeakPolarHBondContact O-CG1 3.31Å; Q404-I408 PolarHBondContact O-N 2.96Å; S405-I408 PolarHBondContact O-N 3.49Å; I408-K411 PolarHBondContact O-N 3.23Å; I408-L412 HydrophobicContact CG2-CD1 4.18Å; I408-L412 HydrophobicContact CG2-CG 4.45Å; I408-L412 WeakPolarHBondContact O-CG 3.26Å; I408-L412 PolarHBondContact O-N 2.7Å
409L97.8Very high95.5Very high0 Ų017.3 Ų17.30%011%0.109CC..Hα-helixtrans-57.7-49.4174.8172.164.6000111.5V52 A56 Y265 L337 S405 L406 Y407 K411 L412 L413 I423V52-L409 HydrophobicContact CG1-CD2 3.89Å; A56-L409 HydrophobicContact CB-CD1 3.59Å; Y265-L409 HydrophobicContact CD1-CD2 4.39Å; Y265-L409 HydrophobicContact CE1-CD2 3.62Å; L337-L409 HydrophobicContact CD1-CD2 4.26Å; L337-L409 HydrophobicContact CD2-CD2 4.1Å; L337-L409 HydrophobicContact CD2-CG 4.08Å; S405-L409 PolarHBondContact O-N 2.84Å; L406-L409 HydrophobicContact CD2-CD2 4.39Å; L406-L409 PolarHBondContact O-N 3.19Å; Y407-L409 VanDerWaalsContact C-N 3.34Å; Y407-L409 PolarHBondContact O-N 2.82Å; L409-K411 VanDerWaalsContact C-N 3.28Å; L409-K411 PolarHBondContact O-N 3.49Å; L409-L412 PolarHBondContact O-N 3.19Å; L409-L413 HydrophobicContact CD1-CD1 3.9Å; L409-L413 HydrophobicContact CD1-CG 4.24Å; L409-L413 HydrophobicContact CG-CD1 3.98Å; L409-L413 WeakPolarHBondContact O-CG 3.42Å; L409-L413 PolarHBondContact O-N 3.05Å; L409-I423 HydrophobicContact CD1-CG1 4.32Å; L409-I423 HydrophobicContact CD1-CG2 4.06Å
410G96.7Very high95.6Very high3 Ų318 Ų183%0.03111%0.113CC..Hα-helixtrans-58.2-40.3177.700000112.3L406 Y407 L413 S414L406-G410 PolarHBondContact O-N 3.26Å; Y407-G410 PolarHBondContact O-N 2.97Å; G410-L413 PolarHBondContact O-N 2.93Å; G410-S414 VanDerWaalsContact O-CB 3.31Å; G410-S414 WeakPolarHBondContact O-CB 3.46Å; G410-S414 PolarHBondContact O-N 3.14Å; G410-S414 PolarHBondContact O-OG 3.5Å; G410-S414 VanDerWaalsContact O-OG 3.1Å
411K95.8Very high95.5Very high24 Ų2419 Ų1910%0.10413%0.125CC..Hα-helixtrans-65.1-47.4174.5-76.6-66.1-174.2-174.60112.7Y14 E356 Y407 I408 L409 L413 S414 E415Y14-K411 HydrophobicContact CE1-CB 4.07Å; Y14-K411 WeakPolarHBondContact OH-CB 3.38Å; E356-K411 IonicContact OE1-NZ 3.49Å; E356-K411 PolarHBondContact OE1-NZ 3.33Å; Y407-K411 HydrophobicContact CD2-CG 4.46Å; Y407-K411 HydrophobicContact CE1-CG 4.46Å; Y407-K411 HydrophobicContact CE2-CG 4.02Å; Y407-K411 PolarHBondContact O-N 3.41Å; Y407-K411 WeakPolarHBondContact OH-CE 3.19Å; I408-K411 PolarHBondContact O-N 3.23Å; L409-K411 VanDerWaalsContact C-N 3.28Å; L409-K411 PolarHBondContact O-N 3.49Å; K411-L413 VanDerWaalsContact C-N 3.28Å; K411-L413 PolarHBondContact O-N 3.42Å; K411-S414 WeakPolarHBondContact CA-OG 3.45Å; K411-S414 PolarHBondContact O-N 3.26Å; K411-S414 PolarHBondContact O-OG 3.3Å; K411-E415 WeakPolarHBondContact O-CB 3.32Å; K411-E415 PolarHBondContact O-N 3.35Å
412L96.4Very high95.5Very high0 Ų020.9 Ų20.90%013%0.134CC..Hα-helixtrans-57.7-39.7176.9-71.6172.5000112.5L11 Y14 A56 L57 I408 L409 F417 L418L11-L412 HydrophobicContact CD2-CD2 4.2Å; Y14-L412 HydrophobicContact CD1-CD2 4.45Å; Y14-L412 HydrophobicContact CD2-CD2 3.74Å; Y14-L412 HydrophobicContact CE2-CD2 4.08Å; Y14-L412 HydrophobicContact CG-CD2 3.97Å; A56-L412 HydrophobicContact CB-CD1 4.09Å; L57-L412 HydrophobicContact CB-CD1 4.27Å; L57-L412 HydrophobicContact CD1-CD2 4.35Å; I408-L412 HydrophobicContact CG2-CD1 4.18Å; I408-L412 HydrophobicContact CG2-CG 4.45Å; I408-L412 WeakPolarHBondContact O-CG 3.26Å; I408-L412 PolarHBondContact O-N 2.7Å; L409-L412 PolarHBondContact O-N 3.19Å; L412-F417 HydrophobicContact CD2-CB 4.29Å; L412-F417 HydrophobicContact CD2-CD2 4.16Å; L412-F417 HydrophobicContact CD2-CG 4.44Å; L412-F417 WeakPolarHBondContact O-CB 3.42Å; L412-F417 PolarHBondContact O-N 2.76Å; L412-L418 HydrophobicContact CB-CD1 4.09Å; L412-L418 HydrophobicContact CD1-CD1 4.37Å; L412-L418 PolarHBondContact O-N 3.04Å
413L96.1Very high95.5Very high11 Ų1120.6 Ų20.66%0.05813%0.133CC..Hα-helixtrans-70.5-49175.9-73.8165.9000112L337 I340 L409 G410 K411 E415 G416 L418 I423L337-L413 HydrophobicContact CD2-CD1 3.72Å; I340-L413 HydrophobicContact CD1-CB 3.86Å; I340-L413 HydrophobicContact CD1-CD1 4.49Å; I340-L413 HydrophobicContact CG2-CB 4.17Å; I340-L413 HydrophobicContact CG2-CD1 4.43Å; L409-L413 HydrophobicContact CD1-CD1 3.9Å; L409-L413 HydrophobicContact CD1-CG 4.24Å; L409-L413 HydrophobicContact CG-CD1 3.98Å; L409-L413 WeakPolarHBondContact O-CG 3.42Å; L409-L413 PolarHBondContact O-N 3.05Å; G410-L413 PolarHBondContact O-N 2.93Å; K411-L413 VanDerWaalsContact C-N 3.28Å; K411-L413 PolarHBondContact O-N 3.42Å; L413-E415 VanDerWaalsContact C-N 3.29Å; L413-E415 PolarHBondContact O-N 3.08Å; L413-G416 PolarHBondContact O-N 3.44Å; L413-L418 HydrophobicContact CD2-CB 3.76Å; L413-L418 HydrophobicContact CG-CB 4.42Å; L413-I423 HydrophobicContact CD1-CD1 4.14Å; L413-I423 HydrophobicContact CD1-CG1 4.24Å; L413-I423 HydrophobicContact CD2-CG1 4.09Å
414S94Very high95.5Very high51 Ų5120.6 Ų20.636%0.35713%0.133SC..Hα-helixtrans-64.7-30.9-178.467.20000113.5Q352 G410 K411 G416Q352-S414 PolarHBondContact NE2-OG 2.93Å; G410-S414 VanDerWaalsContact O-CB 3.31Å; G410-S414 WeakPolarHBondContact O-CB 3.46Å; G410-S414 PolarHBondContact O-N 3.14Å; G410-S414 PolarHBondContact O-OG 3.5Å; G410-S414 VanDerWaalsContact O-OG 3.1Å; K411-S414 WeakPolarHBondContact CA-OG 3.45Å; K411-S414 PolarHBondContact O-N 3.26Å; K411-S414 PolarHBondContact O-OG 3.3Å; S414-G416 VanDerWaalsContact C-N 3.27Å; S414-G416 PolarHBondContact O-N 2.81Å
415E92.9Very high95.4Very high73 Ų7322.2 Ų22.234%0.34114%0.144SC..THydrogen-bonded Turntrans-82.4-0.9174.4-70.8-166.8-133.600113.5K10 Y14 K411 L413 F417K10-E415 IonicContact NZ-OE2 2.65Å; K10-E415 PolarHBondContact NZ-OE2 2.94Å; Y14-E415 PolarHBondContact OH-OE1 2.96Å; K411-E415 WeakPolarHBondContact O-CB 3.32Å; K411-E415 PolarHBondContact O-N 3.35Å; L413-E415 VanDerWaalsContact C-N 3.29Å; L413-E415 PolarHBondContact O-N 3.08Å; E415-F417 VanDerWaalsContact C-N 3.34Å; E415-F417 HydrophobicContact CB-CD2 3.74Å; E415-F417 HydrophobicContact CB-CE2 3.79Å; E415-F417 PolarHBondContact O-N 3.46Å
416G92.4Very high95.2Very high53 Ų5324.9 Ų24.955%0.54616%0.158SC..THydrogen-bonded Turntrans77.212.4175.900000115.2L413 S414 L418L413-G416 PolarHBondContact O-N 3.44Å; S414-G416 VanDerWaalsContact C-N 3.27Å; S414-G416 PolarHBondContact O-N 2.81Å; G416-L418 PolarHBondContact O-N 3.05Å
417F94.6Very high95Very high14 Ų1428.6 Ų28.66%0.06118%0.178CC..SBendtrans-67.2-30.7173.4-70.8-70.4000111.8K10 L11 Y14 A60 K63 L412 E415K10-F417 HydrophobicContact CB-CE2 4.31Å; K10-F417 HydrophobicContact CB-CZ 3.7Å; K10-F417 HydrophobicContact CD-CE2 4.22Å; K10-F417 HydrophobicContact CD-CZ 3.78Å; K10-F417 HydrophobicContact CG-CZ 4.43Å; L11-F417 HydrophobicContact CD1-CD1 4.36Å; L11-F417 HydrophobicContact CD1-CE1 4.45Å; L11-F417 HydrophobicContact CD2-CD1 3.79Å; L11-F417 HydrophobicContact CD2-CE1 4.09Å; L11-F417 HydrophobicContact CD2-CG 4.04Å; L11-F417 HydrophobicContact CG-CD1 4.05Å; L11-F417 HydrophobicContact CG-CE1 3.95Å; Y14-F417 HydrophobicContact CE2-CE2 4.21Å; A60-F417 HydrophobicContact CB-CB 4.23Å; K63-F417 WeakPolarHBondContact CD-O 3.43Å; L412-F417 HydrophobicContact CD2-CB 4.29Å; L412-F417 HydrophobicContact CD2-CD2 4.16Å; L412-F417 HydrophobicContact CD2-CG 4.44Å; L412-F417 WeakPolarHBondContact O-CB 3.42Å; L412-F417 PolarHBondContact O-N 2.76Å; E415-F417 VanDerWaalsContact C-N 3.34Å; E415-F417 HydrophobicContact CB-CD2 3.74Å; E415-F417 HydrophobicContact CB-CE2 3.79Å; E415-F417 PolarHBondContact O-N 3.46Å
418L95.1Very high94.8Very high5 Ų527.8 Ų27.83%0.02617%0.174CC..SBendtrans-126.8147.6176.2-66.3169.8000110.1A56 L59 A60 L412 L413 G416 E422 I423A56-L418 HydrophobicContact CB-CD1 3.73Å; A56-L418 WeakPolarHBondContact O-CD1 3.26Å; L59-L418 HydrophobicContact CB-CD2 3.83Å; A60-L418 HydrophobicContact CB-CD2 4.01Å; A60-L418 HydrophobicContact CB-CG 4.07Å; L412-L418 HydrophobicContact CB-CD1 4.09Å; L412-L418 HydrophobicContact CD1-CD1 4.37Å; L412-L418 PolarHBondContact O-N 3.04Å; L413-L418 HydrophobicContact CD2-CB 3.76Å; L413-L418 HydrophobicContact CG-CB 4.42Å; G416-L418 PolarHBondContact O-N 3.05Å; L418-E422 WeakPolarHBondContact CA-OE2 3.07Å; L418-E422 HydrophobicContact CD2-CB 4.42Å; L418-I423 HydrophobicContact CD1-CG2 4.09Å
419A94.4Very high94.5Very high42 Ų4230.1 Ų30.135%0.34718%0.183SC..  trans-93.7151.1164.300000110.1G421 E422A419-G421 PolarHBondContact O-N 3.27Å; A419-G421 VanDerWaalsContact O-N 3.11Å; A419-E422 HydrophobicContact CB-CG 4.35Å; A419-E422 PolarHBondContact N-OE2 2.96Å; A419-E422 WeakPolarHBondContact O-CB 3.43Å; A419-E422 PolarHBondContact O-N 3.48Å
420P94.1Very high94.1Very high36 Ų3634.8 Ų34.823%0.23420%0.204CC..Hα-helixtrans-54.1-34.2179.6-28.435.2000114.4I340 F341 E422 I423 D424I340-P420 HydrophobicContact CG2-CG 4.05Å; F341-P420 HydrophobicContact CD1-CB 3.85Å; F341-P420 HydrophobicContact CE1-CB 3.6Å; F341-P420 HydrophobicContact CZ-CB 4.07Å; P420-E422 VanDerWaalsContact C-N 3.25Å; P420-E422 PolarHBondContact O-N 3.28Å; P420-I423 PolarHBondContact O-N 3.36Å; P420-D424 PolarHBondContact O-N 3.32Å; P420-D424 VanDerWaalsContact O-N 3.15Å
421G93.8Very high93.6Very high27 Ų2736.1 Ų36.128%0.27821%0.212SC..Hα-helixtrans-68.7-16.7177.700000115.1A419 D424A419-G421 PolarHBondContact O-N 3.27Å; A419-G421 VanDerWaalsContact O-N 3.11Å; G421-D424 CarbonylContact O-C 3.55Å
422E94.2Very high93.1Very high58 Ų5836.6 Ų36.627%0.27122%0.217SC..Hα-helixtrans-78.1-29.3178.2-63-179.892.600111.9L59 K63 L418 A419 P420L59-E422 WeakPolarHBondContact CD1-O 3.39Å; K63-E422 WeakPolarHBondContact CD-OE1 3.32Å; K63-E422 IonicContact NZ-OE1 3.97Å; K63-E422 IonicContact NZ-OE2 3.61Å; K63-E422 PolarHBondContact NZ-OE2 3.41Å; L418-E422 WeakPolarHBondContact CA-OE2 3.07Å; L418-E422 HydrophobicContact CD2-CB 4.42Å; A419-E422 HydrophobicContact CB-CG 4.35Å; A419-E422 PolarHBondContact N-OE2 2.96Å; A419-E422 WeakPolarHBondContact O-CB 3.43Å; A419-E422 PolarHBondContact O-N 3.48Å; P420-E422 VanDerWaalsContact C-N 3.25Å; P420-E422 PolarHBondContact O-N 3.28Å
423I95.3Very high92.5Very high0 Ų041 Ų410%024%0.24CC..Hα-helixtrans-101.7-0.7176.857.496.7000113W55 A56 L59 Q147 Y265 F341 L409 L413 L418 P420W55-I423 HydrophobicContact CH2-CB 4.39Å; W55-I423 HydrophobicContact CZ3-CB 4.34Å; A56-I423 HydrophobicContact CB-CG2 4.36Å; L59-I423 HydrophobicContact CD1-CG2 4.26Å; Q147-I423 PolarHBondContact OE1-O 3.31Å; Y265-I423 HydrophobicContact CD2-CD1 3.79Å; Y265-I423 HydrophobicContact CE2-CD1 3.28Å; F341-I423 HydrophobicContact CE2-CD1 3.78Å; F341-I423 HydrophobicContact CZ-CD1 3.4Å; F341-I423 VanDerWaalsContact CZ-CD1 3.4Å; L409-I423 HydrophobicContact CD1-CG1 4.32Å; L409-I423 HydrophobicContact CD1-CG2 4.06Å; L413-I423 HydrophobicContact CD1-CD1 4.14Å; L413-I423 HydrophobicContact CD1-CG1 4.24Å; L413-I423 HydrophobicContact CD2-CG1 4.09Å; L418-I423 HydrophobicContact CD1-CG2 4.09Å; P420-I423 PolarHBondContact O-N 3.36Å
424D95.5Very high91.5Very high0 Ų046.3 Ų46.30%028%0.275CS..  trans-132.666.8167.3173.836.6000110.1F341 P420 G421 L426 N427 R428 R429F341-D424 HydrophobicContact CE1-CB 4.2Å; F341-D424 HydrophobicContact CZ-CB 4.37Å; P420-D424 PolarHBondContact O-N 3.32Å; P420-D424 VanDerWaalsContact O-N 3.15Å; G421-D424 CarbonylContact O-C 3.55Å; D424-L426 PolarHBondContact O-N 3.1Å; D424-N427 PolarHBondContact O-N 3.3Å; D424-N427 VanDerWaalsContact O-N 3.09Å; D424-N427 PolarHBondContact OD1-N 3.42Å; D424-N427 WeakPolarHBondContact OD2-CA 3.43Å; D424-R428 PolarHBondContact OD1-N 3Å; D424-R428 PolarHBondContact OD2-N 3.26Å; D424-R429 PolarHBondContact O-NH1 2.89Å; D424-R429 WeakPolarHBondContact OD2-CB 3.24Å; D424-R429 WeakPolarHBondContact OD2-CG 3.34Å; D424-R429 IonicContact OD2-CZ 3.91Å; D424-R429 PolarHBondContact OD2-N 2.83Å; D424-R429 IonicContact OD2-NH1 3.8Å; D424-R429 PolarHBondContact OD2-NH1 3.32Å
425P94.9Very high90.4Very high36 Ų3649.6 Ų49.623%0.23428%0.283CS..THydrogen-bonded Turntrans-67.6-20.3-175.526.8-35000113.5Q147 A150 N427Q147-P425 HydrophobicContact CB-CG 4.41Å; Q147-P425 VanDerWaalsContact O-CG 3.31Å; Q147-P425 WeakPolarHBondContact O-CG 3.35Å; A150-P425 HydrophobicContact CB-CB 4.16Å; A150-P425 HydrophobicContact CB-CG 3.91Å; P425-N427 VanDerWaalsContact C-N 3.28Å
426L93.9Very high89.6Confident56 Ų5651.5 Ų51.529%0.29330%0.302SS..THydrogen-bonded Turntrans-87.43.4176.6-62.6173.6000112.6A146 Q147 A150 A211 L215 D424 R428A146-L426 HydrophobicContact CB-CD1 3.93Å; Q147-L426 HydrophobicContact CG-CD1 4.39Å; A150-L426 HydrophobicContact CB-CD2 3.72Å; A150-L426 HydrophobicContact CB-CG 3.98Å; A211-L426 HydrophobicContact CB-CD1 3.72Å; A211-L426 WeakPolarHBondContact O-CD1 3.44Å; L215-L426 HydrophobicContact CD1-CD2 4.47Å; D424-L426 PolarHBondContact O-N 3.1Å; L426-R428 VanDerWaalsContact C-N 3.27Å; L426-R428 HydrophobicContact CB-CG 4.29Å; L426-R428 PolarHBondContact O-N 3.42Å
427N93.3Very high89Confident77 Ų7754.7 Ų54.741%0.41231%0.306SS..  trans56.535174.4-61.8-61.5000114.8D424 P425 R429 F430D424-N427 PolarHBondContact O-N 3.3Å; D424-N427 VanDerWaalsContact O-N 3.09Å; D424-N427 PolarHBondContact OD1-N 3.42Å; D424-N427 WeakPolarHBondContact OD2-CA 3.43Å; P425-N427 VanDerWaalsContact C-N 3.28Å; N427-R429 PolarHBondContact O-N 2.92Å; N427-R429 PolarHBondContact OD1-NH1 3.17Å; N427-R429 PolarHBondContact OD1-NH2 3.16Å; N427-F430 HydrophobicContact CB-CD2 3.86Å; N427-F430 HydrophobicContact CB-CE2 4.24Å; N427-F430 PolarHBondContact O-N 3.22Å
428R91.7Very high88.8Confident16 Ų1655.2 Ų55.26%0.0631%0.311CS..G310 helixtrans-64.1-28.1-179.1-64-171.758.666.120.7112.6A207 E210 A267 F268 D424 L426 F430 S431A207-R428 VanDerWaalsContact CA-CZ 3.44Å; A207-R428 VanDerWaalsContact CB-NH2 3.26Å; A207-R428 PolarHBondContact O-NH1 3.14Å; E210-R428 IonicContact OE2-CZ 3.73Å; E210-R428 VanDerWaalsContact OE2-CZ 3.3Å; E210-R428 IonicContact OE2-NH1 3.68Å; E210-R428 PolarHBondContact OE2-NH1 2.87Å; E210-R428 IonicContact OE2-NH2 3.97Å; E210-R428 PolarHBondContact OE2-NH2 3.3Å; A267-R428 VanDerWaalsContact O-CZ 3.24Å; A267-R428 PolarHBondContact O-NE 2.8Å; A267-R428 PolarHBondContact O-NH2 3.16Å; F268-R428 HydrophobicContact CB-CB 4.21Å; F268-R428 WeakPolarHBondContact CB-O 3.45Å; F268-R428 HydrophobicContact CD2-CB 3.96Å; D424-R428 PolarHBondContact OD1-N 3Å; D424-R428 PolarHBondContact OD2-N 3.26Å; L426-R428 VanDerWaalsContact C-N 3.27Å; L426-R428 HydrophobicContact CB-CG 4.29Å; L426-R428 PolarHBondContact O-N 3.42Å; R428-F430 PolarHBondContact O-N 2.97Å; R428-S431 WeakPolarHBondContact O-CB 3.22Å; R428-S431 PolarHBondContact O-N 2.56Å; R428-S431 PolarHBondContact O-OG 3.24Å
429R91.6Very high88.8Confident51 Ų5156.2 Ų56.219%0.19232%0.317CS..G310 helixtrans-54.9-17.8175.972.2-171.5174.5-77.5-3.2114.6F268 F341 D424 N427F268-R429 HydrophobicContact CD1-CB 4.26Å; F268-R429 HydrophobicContact CD2-CB 4.3Å; F268-R429 HydrophobicContact CE1-CB 4.03Å; F268-R429 HydrophobicContact CE2-CB 4.05Å; F268-R429 HydrophobicContact CG-CB 4.38Å; F268-R429 HydrophobicContact CZ-CB 3.91Å; F341-R429 HydrophobicContact CD1-CB 3.86Å; F341-R429 HydrophobicContact CD1-CG 4.43Å; F341-R429 HydrophobicContact CE1-CB 4.13Å; D424-R429 PolarHBondContact O-NH1 2.89Å; D424-R429 WeakPolarHBondContact OD2-CB 3.24Å; D424-R429 WeakPolarHBondContact OD2-CG 3.34Å; D424-R429 IonicContact OD2-CZ 3.91Å; D424-R429 PolarHBondContact OD2-N 2.83Å; D424-R429 IonicContact OD2-NH1 3.8Å; D424-R429 PolarHBondContact OD2-NH1 3.32Å; N427-R429 PolarHBondContact O-N 2.92Å; N427-R429 PolarHBondContact OD1-NH1 3.17Å; N427-R429 PolarHBondContact OD1-NH2 3.16Å
430F90.4Very high88.9Confident98 Ų9854.2 Ų54.243%0.4330%0.3SS..G310 helixtrans-92.910178.6-60.3-42.5000113.7N427 R428 T432 I433N427-F430 HydrophobicContact CB-CD2 3.86Å; N427-F430 HydrophobicContact CB-CE2 4.24Å; N427-F430 PolarHBondContact O-N 3.22Å; R428-F430 PolarHBondContact O-N 2.97Å; F430-T432 PolarHBondContact O-N 3.33Å; F430-I433 HydrophobicContact CB-CD1 3.75Å; F430-I433 HydrophobicContact CB-CG1 4.09Å; F430-I433 HydrophobicContact CD1-CD1 3.45Å; F430-I433 VanDerWaalsContact CD1-CD1 3.45Å; F430-I433 HydrophobicContact CD1-CG1 4.26Å; F430-I433 HydrophobicContact CE1-CD1 4.24Å; F430-I433 HydrophobicContact CG-CD1 3.78Å; F430-I433 WeakPolarHBondContact O-CB 3.46Å; F430-I433 PolarHBondContact O-N 3.34Å
431S85.7Confident89Confident30 Ų3052.6 Ų52.621%0.2129%0.289CS..THydrogen-bonded Turntrans-57.7-28.917859.20000113.5F268 R428F268-S431 WeakPolarHBondContact O-CB 3.48Å; F268-S431 PolarHBondContact O-OG 3.12Å; R428-S431 WeakPolarHBondContact O-CB 3.22Å; R428-S431 PolarHBondContact O-N 2.56Å; R428-S431 PolarHBondContact O-OG 3.24Å
432T85.1Confident89.1Confident35 Ų3551.3 Ų51.322%0.21528%0.276CS..THydrogen-bonded Turntrans-86.9-3.8178.4610000114.4V270 E271 M273 V276 F430 P434V270-T432 VanDerWaalsContact O-CG2 3.27Å; V270-T432 WeakPolarHBondContact O-CG2 3.36Å; E271-T432 WeakPolarHBondContact O-CA 3.49Å; M273-T432 HydrophobicContact CE-CG2 3.84Å; M273-T432 VanDerWaalsContact CE-OG1 3.3Å; M273-T432 WeakPolarHBondContact CE-OG1 3.49Å; V276-T432 HydrophobicContact CG2-CG2 4.48Å; F430-T432 PolarHBondContact O-N 3.33Å; T432-P434 WeakPolarHBondContact O-CD 3.49Å
433I84.1Confident89.2Confident93 Ų9348.6 Ų48.648%0.47726%0.264SS..SBendtrans-70.1124.1177.1-63.6-172.2000108.2F430 K435F430-I433 HydrophobicContact CB-CD1 3.75Å; F430-I433 HydrophobicContact CB-CG1 4.09Å; F430-I433 HydrophobicContact CD1-CD1 3.45Å; F430-I433 VanDerWaalsContact CD1-CD1 3.45Å; F430-I433 HydrophobicContact CD1-CG1 4.26Å; F430-I433 HydrophobicContact CE1-CD1 4.24Å; F430-I433 HydrophobicContact CG-CD1 3.78Å; F430-I433 WeakPolarHBondContact O-CB 3.46Å; F430-I433 PolarHBondContact O-N 3.34Å; I433-K435 PolarHBondContact O-N 3.45Å; I433-K435 VanDerWaalsContact O-N 3.15Å
434P74.4Confident89.2Confident122 Ų12249.2 Ų49.279%0.79227%0.267SS*.PPolyproline II helixtrans-56.5122.5176.3-23.933.6000110.6T432T432-P434 WeakPolarHBondContact O-CD 3.49Å
435K71.9Confident89.1Confident119 Ų11949.2 Ų49.252%0.51727%0.267SS..PPolyproline II helixtrans-80.2150.3173.5-69.6-167.2-177.4177.50110I433 R555I433-K435 PolarHBondContact O-N 3.45Å; I433-K435 VanDerWaalsContact O-N 3.15Å; K435-R555 PolarHBondContact NZ-O 3.37Å
436P75.6Confident89Confident114 Ų11447.5 Ų47.574%0.7426%0.256SS*.PPolyproline II helixtrans-61.6151179.826.6-35.5000111.3V438P436-V438 PolarHBondContact O-N 3.26Å
437D80.4Confident88.7Confident120 Ų12049.8 Ų49.864%0.64227%0.265SS*.PPolyproline II helixtrans-63.2127.6-177.4-10.7-72.1000111.8R598D437-R598 PolarHBondContact O-NH2 2.89Å; D437-R598 IonicContact OD2-CZ 3.12Å; D437-R598 VanDerWaalsContact OD2-CZ 3.26Å; D437-R598 IonicContact OD2-NH1 3.4Å; D437-R598 IonicContact OD2-NH2 2.96Å; D437-R598 PolarHBondContact OD2-NH2 3.02Å
438V90.6Very high88.5Confident25 Ų2548.3 Ų48.315%0.15226%0.259CS..PPolyproline II helixtrans-71.6134-177.4178.90000109.8P436 W554 P560P436-V438 PolarHBondContact O-N 3.26Å; V438-W554 HydrophobicContact CG1-CB 4.06Å; V438-W554 HydrophobicContact CG1-CG 4.36Å; V438-W554 HydrophobicContact CG2-CB 4.19Å; V438-P560 HydrophobicContact CG1-CG 3.57Å
439V94.2Very high88.5Confident26 Ų2653 Ų5316%0.15829%0.285CS..EExtended strand (participates in β ladder)trans-101.9119.7168.6179.10000107.4R598 Q600V439-R598 HydrophobicContact CG2-CB 4.11Å; V439-Q600 HydrophobicContact CG1-CB 3.9Å
440V96.1Very high88.5Confident0 Ų057.2 Ų57.20%031%0.307CS..EExtended strand (participates in β ladder)trans-85.1119.6178.6-175.30000109.5V442 I547 L550 A551 P560 V562 R598 T599 Q600V440-V442 HydrophobicContact CG1-CG2 4.32Å; V440-I547 HydrophobicContact CB-CG2 4.33Å; V440-I547 HydrophobicContact CG1-CG1 4.3Å; V440-I547 HydrophobicContact CG1-CG2 4.47Å; V440-I547 HydrophobicContact CG2-CG2 4.3Å; V440-L550 HydrophobicContact CG1-CD1 3.98Å; V440-L550 HydrophobicContact CG2-CB 4.03Å; V440-A551 HydrophobicContact CG2-CB 3.99Å; V440-P560 HydrophobicContact CB-CG 4.44Å; V440-P560 HydrophobicContact CG1-CG 4.43Å; V440-P560 HydrophobicContact CG2-CG 4.07Å; V440-V562 HydrophobicContact CG1-CG2 3.9Å; V440-R598 PolarHBondContact N-O 2.92Å; V440-T599 HydrophobicContact CB-CG2 4.49Å; V440-T599 CarbonylContact O-C 3.49Å; V440-T599 WeakPolarHBondContact O-CA 3.03Å; V440-Q600 PolarHBondContact O-N 3.01Å
441Q96.8Very high88.5Confident1 Ų152.6 Ų52.61%0.00529%0.287CS..EExtended strand (participates in β ladder)trans-84.7134.3175.9-66174.7-46.900109.1R559 P560 T561 V562 Q600 F607 T610 S611Q441-R559 HydrophobicContact CG-CB 4.18Å; Q441-P560 WeakPolarHBondContact CB-O 3.37Å; Q441-P560 PolarHBondContact N-O 3.26Å; Q441-T561 HydrophobicContact CB-CG2 4.29Å; Q441-T561 CarbonylContact O-C 3.6Å; Q441-T561 WeakPolarHBondContact O-CA 3.47Å; Q441-T561 PolarHBondContact OE1-OG1 3.49Å; Q441-T561 VanDerWaalsContact OE1-OG1 3.04Å; Q441-V562 PolarHBondContact O-N 3.07Å; Q441-Q600 CarbonylContact C-O 3.6Å; Q441-Q600 VanDerWaalsContact CA-O 3.31Å; Q441-Q600 WeakPolarHBondContact CA-O 3.39Å; Q441-Q600 HydrophobicContact CG-CB 4.47Å; Q441-F607 HydrophobicContact CB-CD1 4.36Å; Q441-F607 HydrophobicContact CB-CD2 3.92Å; Q441-F607 HydrophobicContact CB-CE1 4.27Å; Q441-F607 HydrophobicContact CB-CE2 3.82Å; Q441-F607 HydrophobicContact CB-CG 4.17Å; Q441-F607 HydrophobicContact CB-CZ 3.99Å; Q441-F607 HydrophobicContact CG-CD1 4.11Å; Q441-F607 HydrophobicContact CG-CE1 4.05Å; Q441-F607 HydrophobicContact CG-CE2 4.48Å; Q441-F607 HydrophobicContact CG-CG 4.35Å; Q441-F607 HydrophobicContact CG-CZ 4.22Å; Q441-T610 PolarHBondContact NE2-OG1 3.05Å; Q441-S611 PolarHBondContact OE1-OG 3.47Å
442V96.6Very high88.9Confident0 Ų053 Ų530%029%0.285CS..EExtended strand (participates in β ladder)trans-128.8116.2-179.3-173.80000108.8V440 I547 V562 F564 L589 Q600 T601 G602V440-V442 HydrophobicContact CG1-CG2 4.32Å; V442-I547 HydrophobicContact CG2-CD1 4.02Å; V442-V562 WeakPolarHBondContact CA-O 3.18Å; V442-V562 HydrophobicContact CG2-CB 4.42Å; V442-F564 HydrophobicContact CG1-CB 4.33Å; V442-L589 HydrophobicContact CG1-CD1 4.36Å; V442-L589 HydrophobicContact CG2-CD2 4.28Å; V442-Q600 PolarHBondContact N-O 3.09Å; V442-T601 VanDerWaalsContact O-CA 3.3Å; V442-T601 WeakPolarHBondContact O-CA 3.46Å; V442-G602 PolarHBondContact O-N 3.45Å
443S95.4Very high89.3Confident1 Ų154.2 Ų54.21%0.00730%0.298CS..EExtended strand (participates in β ladder)trans-102.4119.1173.1-158.70000110.1V562 F564 G602 L604S443-V562 PolarHBondContact N-O 3.14Å; S443-F564 PolarHBondContact O-N 2.74Å; S443-G602 WeakPolarHBondContact CA-O 3.42Å; S443-G602 WeakPolarHBondContact CB-O 3.39Å; S443-G602 PolarHBondContact OG-O 3.14Å; S443-L604 WeakPolarHBondContact OG-CG 3.41Å; S443-L604 PolarHBondContact OG-N 2.7Å
444I95.2Very high89.7Confident13 Ų1351.2 Ų51.27%0.06728%0.283CS..EExtended strand (participates in β ladder)trans-93.4123.9-179.4-56.7158.1000107.6I460 V462 F564 I566 L586 T601I444-I460 HydrophobicContact CD1-CG2 4.21Å; I444-V462 HydrophobicContact CB-CG1 4Å; I444-V462 HydrophobicContact CG2-CG1 3.83Å; I444-F564 WeakPolarHBondContact CA-O 3.07Å; I444-I566 HydrophobicContact CG2-CD1 4.21Å; I444-I566 HydrophobicContact CG2-CG1 3.68Å; I444-L586 HydrophobicContact CD1-CD2 3.8Å; I444-L586 HydrophobicContact CG1-CD2 4.13Å; I444-L586 HydrophobicContact CG2-CD2 4.37Å; I444-T601 HydrophobicContact CD1-CG2 4.38Å
445L93.7Very high90.5Very high0 Ų045.4 Ų45.40%025%0.245CC..EExtended strand (participates in β ladder)trans-115.3145.6179.7-59.9-179.8000110.8E463 I468 V473 T563 F564 P565 I566 L604L445-E463 WeakPolarHBondContact CA-O 3.24Å; L445-E463 HydrophobicContact CD2-CB 4.45Å; L445-I468 HydrophobicContact CD1-CD1 3.98Å; L445-I468 HydrophobicContact CD2-CG2 4.02Å; L445-V473 HydrophobicContact CD1-CG1 4.43Å; L445-V473 HydrophobicContact CD1-CG2 3.82Å; L445-T563 HydrophobicContact CD1-CG2 3.51Å; L445-T563 HydrophobicContact CG-CG2 4.27Å; L445-F564 PolarHBondContact N-O 3.02Å; L445-P565 CarbonylContact O-C 3.47Å; L445-P565 WeakPolarHBondContact O-CA 3.34Å; L445-I566 PolarHBondContact O-N 3.27Å; L445-L604 HydrophobicContact CD1-CD1 4.06Å; L445-L604 HydrophobicContact CD2-CD1 4.39Å
446A92.1Very high91.5Very high0 Ų044 Ų440%024%0.241CC..EExtended strand (participates in β ladder)trans-93.3133.3170.600000110.6T448 I451 K452 L455 V462 E463 T464A446-T448 VanDerWaalsContact C-N 3.32Å; A446-I451 HydrophobicContact CB-CB 4.3Å; A446-I451 HydrophobicContact CB-CG2 4.05Å; A446-K452 HydrophobicContact CB-CB 3.71Å; A446-L455 HydrophobicContact CB-CD1 4.25Å; A446-V462 HydrophobicContact CB-CG2 3.96Å; A446-E463 PolarHBondContact N-O 2.98Å; A446-T464 HydrophobicContact CB-CG2 4.43Å; A446-T464 WeakPolarHBondContact O-CA 3.05Å
447E88.1Confident92.3Very high105 Ų10545.3 Ų45.349%0.49124%0.236SC..SBendtrans-64.6-38.3173-177.6-178.8-169.500111.5I451 I566 S567 Q568E447-I451 HydrophobicContact CB-CD1 3.98Å; E447-I566 WeakPolarHBondContact CB-O 3.4Å; E447-I566 PolarHBondContact N-O 3.41Å; E447-I566 VanDerWaalsContact N-O 3.09Å; E447-S567 WeakPolarHBondContact OE2-CA 3.4Å; E447-S567 WeakPolarHBondContact OE2-CB 3.24Å; E447-Q568 PolarHBondContact OE2-N 3.02Å; E447-Q568 VanDerWaalsContact OE2-N 3.15Å
448T88.9Confident92.8Very high46 Ų4641.2 Ų41.228%0.28221%0.213SC..SBendtrans-133.4160.4-177.867.70000112.2A446 E450 I451 K452A446-T448 VanDerWaalsContact C-N 3.32Å; T448-E450 PolarHBondContact O-N 3.48Å; T448-I451 PolarHBondContact O-N 3.07Å; T448-I451 WeakPolarHBondContact OG1-CG1 3.32Å; T448-I451 PolarHBondContact OG1-N 2.65Å; T448-K452 PolarHBondContact O-N 3.18Å
449D91.3Very high92.8Very high115 Ų11542.7 Ų42.762%0.61523%0.234SC*.Hα-helixtrans-60.5-28.7173.1-74-53.7000112.7K452 A453D449-K452 WeakPolarHBondContact O-CB 3.43Å; D449-K452 PolarHBondContact O-N 3.17Å; D449-A453 PolarHBondContact O-N 3.43Å
450E91.1Very high92.6Very high139 Ų13941.6 Ų41.665%0.6523%0.227SC*.Hα-helixtrans-66.5-48.3175.9-64.5176.3-175.200111T448 K452 A453 L454T448-E450 PolarHBondContact O-N 3.48Å; E450-K452 VanDerWaalsContact C-N 3.29Å; E450-K452 PolarHBondContact O-N 2.78Å; E450-A453 WeakPolarHBondContact O-CB 3.38Å; E450-A453 PolarHBondContact O-N 3.34Å; E450-L454 PolarHBondContact O-N 3.33Å; E450-L454 VanDerWaalsContact O-N 3.09Å
451I91.4Very high92.3Very high0 Ų047.3 Ų47.30%026%0.258CS..Hα-helixtrans-62.8-38.9175.5-67.7165.6000110.6A446 E447 T448 A453 L454 L455 I566 L571A446-I451 HydrophobicContact CB-CB 4.3Å; A446-I451 HydrophobicContact CB-CG2 4.05Å; E447-I451 HydrophobicContact CB-CD1 3.98Å; T448-I451 PolarHBondContact O-N 3.07Å; T448-I451 WeakPolarHBondContact OG1-CG1 3.32Å; T448-I451 PolarHBondContact OG1-N 2.65Å; I451-A453 VanDerWaalsContact C-N 3.32Å; I451-A453 PolarHBondContact O-N 3.45Å; I451-L454 PolarHBondContact O-N 2.79Å; I451-L455 HydrophobicContact CG2-CD1 3.76Å; I451-L455 HydrophobicContact CG2-CG 4.39Å; I451-L455 WeakPolarHBondContact O-CG 3.45Å; I451-L455 PolarHBondContact O-N 3.15Å; I451-I566 HydrophobicContact CG2-CB 4.06Å; I451-I566 HydrophobicContact CG2-CG2 3.74Å; I451-L571 HydrophobicContact CG1-CD1 4.35Å
452K93.3Very high92.1Very high40 Ų4047.6 Ų47.617%0.17426%0.26CS..Hα-helixtrans-58.1-43.9174.4178170.9173.5-173.20111.7A446 T448 D449 E450 L454 L455 M456 V462 T464 D467A446-K452 HydrophobicContact CB-CB 3.71Å; T448-K452 PolarHBondContact O-N 3.18Å; D449-K452 WeakPolarHBondContact O-CB 3.43Å; D449-K452 PolarHBondContact O-N 3.17Å; E450-K452 VanDerWaalsContact C-N 3.29Å; E450-K452 PolarHBondContact O-N 2.78Å; K452-L454 PolarHBondContact O-N 3.04Å; K452-L455 PolarHBondContact O-N 3.15Å; K452-M456 HydrophobicContact CD-CE 4.38Å; K452-M456 HydrophobicContact CG-CE 3.98Å; K452-M456 HydrophobicContact CG-SD 4.5Å; K452-M456 WeakPolarHBondContact O-CB 3.27Å; K452-M456 WeakPolarHBondContact O-CG 3.47Å; K452-M456 PolarHBondContact O-N 3.38Å; K452-V462 HydrophobicContact CB-CG2 4.3Å; K452-V462 WeakPolarHBondContact CE-O 3.49Å; K452-V462 HydrophobicContact CG-CG2 4.03Å; K452-T464 HydrophobicContact CB-CG2 4.31Å; K452-T464 HydrophobicContact CD-CG2 3.68Å; K452-D467 IonicContact NZ-OD1 2.97Å; K452-D467 IonicContact NZ-OD2 2.9Å; K452-D467 PolarHBondContact NZ-OD2 3.25Å
453A93.2Very high91.9Very high60 Ų6049 Ų4950%0.49627%0.266SS..Hα-helixtrans-63.6-39.6176.200000112.3D449 E450 I451 M456 K457D449-A453 PolarHBondContact O-N 3.43Å; E450-A453 WeakPolarHBondContact O-CB 3.38Å; E450-A453 PolarHBondContact O-N 3.34Å; I451-A453 VanDerWaalsContact C-N 3.32Å; I451-A453 PolarHBondContact O-N 3.45Å; A453-M456 PolarHBondContact O-N 2.95Å; A453-K457 WeakPolarHBondContact O-CB 3.39Å; A453-K457 PolarHBondContact O-N 2.94Å
454L93Very high91.6Very high30 Ų3049.3 Ų49.316%0.15727%0.268CS..Hα-helixtrans-65.6-41.2175.6-68.4176.5000112.7E450 I451 K452 K457 N458 L571 T576E450-L454 PolarHBondContact O-N 3.33Å; E450-L454 VanDerWaalsContact O-N 3.09Å; I451-L454 PolarHBondContact O-N 2.79Å; K452-L454 PolarHBondContact O-N 3.04Å; L454-K457 WeakPolarHBondContact O-CB 3.5Å; L454-K457 PolarHBondContact O-N 3.21Å; L454-N458 PolarHBondContact O-N 3.26Å; L454-N458 PolarHBondContact O-ND2 3.49Å; L454-L571 HydrophobicContact CD1-CD1 4.15Å; L454-L571 HydrophobicContact CD1-CD2 3.89Å; L454-T576 WeakPolarHBondContact CD2-O 3.42Å
455L92.1Very high90.8Very high0 Ų052 Ų520%029%0.285CS..Hα-helixtrans-63.9-43.2174.8-75.5162000111.1A446 I451 K452 K457 N458 G459 I460 V462 I566 L578 L586A446-L455 HydrophobicContact CB-CD1 4.25Å; I451-L455 HydrophobicContact CG2-CD1 3.76Å; I451-L455 HydrophobicContact CG2-CG 4.39Å; I451-L455 WeakPolarHBondContact O-CG 3.45Å; I451-L455 PolarHBondContact O-N 3.15Å; K452-L455 PolarHBondContact O-N 3.15Å; L455-K457 PolarHBondContact O-N 2.97Å; L455-N458 CarbonylContact O-C 3.55Å; L455-N458 WeakPolarHBondContact O-CA 3.5Å; L455-N458 PolarHBondContact O-N 3.07Å; L455-N458 VanDerWaalsContact O-N 3.08Å; L455-G459 PolarHBondContact O-N 3.47Å; L455-I460 CarbonylContact C-O 3.49Å; L455-I460 HydrophobicContact CB-CB 4.34Å; L455-I460 HydrophobicContact CD2-CB 4.31Å; L455-I460 HydrophobicContact CD2-CD1 4Å; L455-I460 HydrophobicContact CD2-CG2 4.33Å; L455-I460 PolarHBondContact O-N 3.06Å; L455-V462 HydrophobicContact CB-CG1 4.41Å; L455-V462 HydrophobicContact CB-CG2 3.94Å; L455-V462 HydrophobicContact CD1-CB 4.43Å; L455-V462 HydrophobicContact CD1-CG1 4.1Å; L455-V462 HydrophobicContact CD1-CG2 3.66Å; L455-V462 HydrophobicContact CG-CG2 4.43Å; L455-I566 HydrophobicContact CD1-CB 4.12Å; L455-I566 HydrophobicContact CD1-CG1 4.01Å; L455-I566 HydrophobicContact CD1-CG2 4.38Å; L455-I566 HydrophobicContact CD2-CG1 4.43Å; L455-L578 HydrophobicContact CD2-CD1 3.43Å; L455-L578 VanDerWaalsContact CD2-CD1 3.43Å; L455-L578 HydrophobicContact CD2-CD2 4.22Å; L455-L578 HydrophobicContact CD2-CG 4.48Å; L455-L578 HydrophobicContact CG-CD1 3.84Å; L455-L586 HydrophobicContact CD2-CD1 3.55Å
456M92.9Very high90.1Very high88 Ų8856 Ų5643%0.43332%0.318SS..Hα-helixtrans-62.3-41.7175.6-75.5-175.5178.400112.6K452 A453 N458 G459 I460K452-M456 HydrophobicContact CD-CE 4.38Å; K452-M456 HydrophobicContact CG-CE 3.98Å; K452-M456 HydrophobicContact CG-SD 4.5Å; K452-M456 WeakPolarHBondContact O-CB 3.27Å; K452-M456 WeakPolarHBondContact O-CG 3.47Å; K452-M456 PolarHBondContact O-N 3.38Å; A453-M456 PolarHBondContact O-N 2.95Å; M456-N458 PolarHBondContact O-N 2.94Å; M456-G459 PolarHBondContact O-N 3.33Å; M456-I460 PolarHBondContact N-O 2.82Å
457K92.4Very high89.8Confident143 Ų14359.5 Ų59.562%0.62234%0.337SS*.Hα-helixtrans-55.8-33.9173.5179.1-165.9172.6-153.30111.8A453 L454 L455 G459 D577A453-K457 WeakPolarHBondContact O-CB 3.39Å; A453-K457 PolarHBondContact O-N 2.94Å; L454-K457 WeakPolarHBondContact O-CB 3.5Å; L454-K457 PolarHBondContact O-N 3.21Å; L455-K457 PolarHBondContact O-N 2.97Å; K457-G459 VanDerWaalsContact C-N 3.33Å; K457-D577 IonicContact NZ-OD2 2.7Å; K457-D577 PolarHBondContact NZ-OD2 3.46Å
458N90.7Very high89.7Confident33 Ų3355 Ų5518%0.17632%0.316CS..THydrogen-bonded Turntrans-88.17.6178.6-78.5-77.3000114.4L454 L455 M456 I460 D577L454-N458 PolarHBondContact O-N 3.26Å; L454-N458 PolarHBondContact O-ND2 3.49Å; L455-N458 CarbonylContact O-C 3.55Å; L455-N458 WeakPolarHBondContact O-CA 3.5Å; L455-N458 PolarHBondContact O-N 3.07Å; L455-N458 VanDerWaalsContact O-N 3.08Å; M456-N458 PolarHBondContact O-N 2.94Å; N458-I460 HydrophobicContact CB-CD1 4.49Å; N458-D577 PolarHBondContact ND2-OD1 3.24Å
459G90.1Very high89.3Confident57 Ų5757.9 Ų57.959%0.58833%0.326SS*.THydrogen-bonded Turntrans81.517.2179.100000114.5L455 M456 K457 Q590L455-G459 PolarHBondContact O-N 3.47Å; M456-G459 PolarHBondContact O-N 3.33Å; K457-G459 VanDerWaalsContact C-N 3.33Å; G459-Q590 PolarHBondContact O-NE2 3Å
460I91.3Very high89Confident2 Ų256.4 Ų56.41%0.0132%0.323CS..  trans-111107.4-178.1-52.8165.7000108.3I444 L455 M456 N458 V462 L586I444-I460 HydrophobicContact CD1-CG2 4.21Å; L455-I460 CarbonylContact C-O 3.49Å; L455-I460 HydrophobicContact CB-CB 4.34Å; L455-I460 HydrophobicContact CD2-CB 4.31Å; L455-I460 HydrophobicContact CD2-CD1 4Å; L455-I460 HydrophobicContact CD2-CG2 4.33Å; L455-I460 PolarHBondContact O-N 3.06Å; M456-I460 PolarHBondContact N-O 2.82Å; N458-I460 HydrophobicContact CB-CD1 4.49Å; I460-V462 HydrophobicContact CG2-CG1 3.76Å; I460-L586 HydrophobicContact CD1-CB 3.54Å; I460-L586 HydrophobicContact CD1-CD1 3.71Å; I460-L586 HydrophobicContact CD1-CG 4.28Å
461N89.9Confident88.9Confident120 Ų12050.2 Ų50.264%0.64229%0.294SS*.  trans-82.5121.9177.9-169.721.5000110.2
462V91.6Very high88.8Confident8 Ų851.8 Ų51.85%0.04830%0.302CS..  trans-138.3162.2-175-580000111.9I444 A446 K452 L455 I460I444-V462 HydrophobicContact CB-CG1 4Å; I444-V462 HydrophobicContact CG2-CG1 3.83Å; A446-V462 HydrophobicContact CB-CG2 3.96Å; K452-V462 HydrophobicContact CB-CG2 4.3Å; K452-V462 WeakPolarHBondContact CE-O 3.49Å; K452-V462 HydrophobicContact CG-CG2 4.03Å; L455-V462 HydrophobicContact CB-CG1 4.41Å; L455-V462 HydrophobicContact CB-CG2 3.94Å; L455-V462 HydrophobicContact CD1-CB 4.43Å; L455-V462 HydrophobicContact CD1-CG1 4.1Å; L455-V462 HydrophobicContact CD1-CG2 3.66Å; L455-V462 HydrophobicContact CG-CG2 4.43Å; I460-V462 HydrophobicContact CG2-CG1 3.76Å
463E92.4Very high88.6Confident28 Ų2850.8 Ų50.813%0.13130%0.299CS..EExtended strand (participates in β ladder)trans-109.6149.4175.4-68.1176.3141.600109.5L445 A446 D467 I468 K603L445-E463 WeakPolarHBondContact CA-O 3.24Å; L445-E463 HydrophobicContact CD2-CB 4.45Å; A446-E463 PolarHBondContact N-O 2.98Å; E463-D467 HydrophobicContact CB-CB 4.02Å; E463-D467 HydrophobicContact CG-CB 4.47Å; E463-I468 HydrophobicContact CB-CG2 3.72Å; E463-K603 WeakPolarHBondContact OE1-CD 3.5Å; E463-K603 WeakPolarHBondContact OE1-CE 3.4Å; E463-K603 IonicContact OE1-NZ 2.88Å; E463-K603 PolarHBondContact OE1-NZ 3.43Å; E463-K603 WeakPolarHBondContact OE2-CB 3.43Å; E463-K603 WeakPolarHBondContact OE2-CG 3.4Å
464T89.1Confident88.4Confident8 Ų849.2 Ų49.25%0.04928%0.281CS..EExtended strand (participates in β ladder)trans-80.4164.6168.867.80000110.4A446 K452 A466 D467A446-T464 HydrophobicContact CB-CG2 4.43Å; A446-T464 WeakPolarHBondContact O-CA 3.05Å; K452-T464 HydrophobicContact CB-CG2 4.31Å; K452-T464 HydrophobicContact CD-CG2 3.68Å; T464-A466 PolarHBondContact O-N 2.98Å; T464-A466 PolarHBondContact OG1-N 3.5Å; T464-D467 PolarHBondContact N-OD2 3.04Å; T464-D467 PolarHBondContact O-N 3.31Å; T464-D467 PolarHBondContact OG1-N 3.32Å; T464-D467 PolarHBondContact OG1-OD2 3.41Å
465V79.4Confident88Confident69 Ų6949.2 Ų49.242%0.41828%0.283SS..THydrogen-bonded Turntrans-58.5-27172.6-178.30000112.2I468 V473V465-I468 WeakPolarHBondContact O-CG1 3.33Å; V465-V473 HydrophobicContact CG1-CB 4.48Å
466A77.8Confident87.7Confident85 Ų8549.6 Ų49.670%0.70229%0.285SS*.THydrogen-bonded Turntrans-77.9-30.3175.700000113.1T464 I468T464-A466 PolarHBondContact O-N 2.98Å; T464-A466 PolarHBondContact OG1-N 3.5Å; A466-I468 VanDerWaalsContact C-N 3.34Å; A466-I468 PolarHBondContact O-N 3.42Å
467D85.4Confident87.2Confident73 Ų7348.1 Ų48.139%0.3928%0.275SS..THydrogen-bonded Turntrans-72.5-25.6-176.9-66.1-37.5000113.2K452 E463 T464 H469K452-D467 IonicContact NZ-OD1 2.97Å; K452-D467 IonicContact NZ-OD2 2.9Å; K452-D467 PolarHBondContact NZ-OD2 3.25Å; E463-D467 HydrophobicContact CB-CB 4.02Å; E463-D467 HydrophobicContact CG-CB 4.47Å; T464-D467 PolarHBondContact N-OD2 3.04Å; T464-D467 PolarHBondContact O-N 3.31Å; T464-D467 PolarHBondContact OG1-N 3.32Å; T464-D467 PolarHBondContact OG1-OD2 3.41Å; D467-H469 VanDerWaalsContact C-N 3.33Å; D467-H469 PolarHBondContact O-N 2.98Å
468I86.3Confident86.8Confident11 Ų1142 Ų426%0.05625%0.25CC..THydrogen-bonded Turntrans-85.94.1-170.457.6168.3000114.6L445 E463 V465 A466 I471 V473 L604L445-I468 HydrophobicContact CD1-CD1 3.98Å; L445-I468 HydrophobicContact CD2-CG2 4.02Å; E463-I468 HydrophobicContact CB-CG2 3.72Å; V465-I468 WeakPolarHBondContact O-CG1 3.33Å; A466-I468 VanDerWaalsContact C-N 3.34Å; A466-I468 PolarHBondContact O-N 3.42Å; I468-I471 WeakPolarHBondContact O-CB 3.36Å; I468-I471 PolarHBondContact O-N 3.25Å; I468-V473 HydrophobicContact CD1-CB 4.25Å; I468-V473 HydrophobicContact CD1-CG2 3.3Å; I468-L604 HydrophobicContact CD1-CD1 3.89Å
469H80.3Confident86.7Confident106 Ų10640.5 Ų40.549%0.49124%0.241SC..THydrogen-bonded Turntrans-56.6133.1176.6-169.174.1000110.6D467 H472D467-H469 VanDerWaalsContact C-N 3.33Å; D467-H469 PolarHBondContact O-N 2.98Å; H469-H472 AromaticContact CE1-NE2 3.84Å; H469-H472 AromaticContact ND1-NE2 3.87Å
470P85.3Confident86.5Confident85 Ų8537.9 Ų37.955%0.55221%0.214SC*.THydrogen-bonded Turncis-90.19.619.536.7-37.8000116.6H472P470-H472 PolarHBondContact O-CD2 3.01Å
471I89.6Confident86.2Confident8 Ų842.1 Ų42.14%0.04123%0.234CC..SBendtrans-80.8125.2177-53.8173.5000109.2I468 F510 I517 A519 L604 L608I468-I471 WeakPolarHBondContact O-CB 3.36Å; I468-I471 PolarHBondContact O-N 3.25Å; I471-F510 HydrophobicContact CD1-CE1 4.37Å; I471-F510 HydrophobicContact CG2-CE1 4.14Å; I471-I517 HydrophobicContact CG1-CG2 4.38Å; I471-I517 HydrophobicContact CG2-CG2 4.26Å; I471-A519 HydrophobicContact CG2-CB 4.34Å; I471-L604 HydrophobicContact CD1-CB 3.96Å; I471-L604 HydrophobicContact CG2-CD1 4.43Å; I471-L608 HydrophobicContact CD1-CD1 4.06Å; I471-L608 HydrophobicContact CD1-CD2 3.93Å; I471-L608 HydrophobicContact CD1-CG 4.11Å
472H89.2Confident86.1Confident34 Ų3436.4 Ų36.416%0.15720%0.203CC..EExtended strand (participates in β ladder)trans-97.4128.7176.4-69-92.9000111H469 P470 T516 I517 F518 A519H469-H472 AromaticContact CE1-NE2 3.84Å; H469-H472 AromaticContact ND1-NE2 3.87Å; P470-H472 PolarHBondContact O-CD2 3.01Å; H472-T516 VanDerWaalsContact CD2-CG2 3.45Å; H472-T516 WeakPolarHBondContact CD2-CG2 3.25Å; H472-I517 PolarHBondContact N-O 2.99Å; H472-F518 HydrophobicContact CB-CD1 3.64Å; H472-F518 HydrophobicContact CB-CE1 3.67Å; H472-F518 HydrophobicContact CB-CG 4.36Å; H472-F518 HydrophobicContact CB-CZ 4.41Å; H472-F518 CarbonylContact O-C 3.55Å; H472-F518 VanDerWaalsContact O-CA 3.24Å; H472-F518 WeakPolarHBondContact O-CA 3.48Å; H472-A519 PolarHBondContact O-N 3.35Å
473V89.1Confident86Confident19 Ų1936.3 Ų36.312%0.11520%0.202CC..EExtended strand (participates in β ladder)trans-101.6130.3174.5175.70000109.9L445 V465 I468 A519 T521 T563 L604L445-V473 HydrophobicContact CD1-CG1 4.43Å; L445-V473 HydrophobicContact CD1-CG2 3.82Å; V465-V473 HydrophobicContact CG1-CB 4.48Å; I468-V473 HydrophobicContact CD1-CB 4.25Å; I468-V473 HydrophobicContact CD1-CG2 3.3Å; V473-A519 VanDerWaalsContact CA-O 3.3Å; V473-A519 WeakPolarHBondContact CA-O 3.45Å; V473-A519 HydrophobicContact CG2-CB 4.22Å; V473-T521 HydrophobicContact CG1-CG2 3.66Å; V473-T563 HydrophobicContact CG1-CG2 3.93Å; V473-T563 HydrophobicContact CG2-CG2 4.05Å; V473-L604 HydrophobicContact CG2-CD1 3.93Å
474Q88.3Confident85.8Confident27 Ų2736.1 Ų36.113%0.12621%0.206CC..EExtended strand (participates in β ladder)trans-135.6155.9-178.8-67.7-65.4-39.800110.9V478 F518 A519 F520 T521 Y662Q474-V478 HydrophobicContact CB-CB 4.29Å; Q474-V478 HydrophobicContact CB-CG1 4.48Å; Q474-V478 HydrophobicContact CB-CG2 4.43Å; Q474-F518 HydrophobicContact CG-CD1 4.17Å; Q474-F518 HydrophobicContact CG-CE1 4.45Å; Q474-A519 PolarHBondContact N-O 2.97Å; Q474-F520 HydrophobicContact CB-CD1 3.81Å; Q474-F520 HydrophobicContact CB-CE1 3.65Å; Q474-F520 CarbonylContact O-C 3.53Å; Q474-F520 WeakPolarHBondContact O-CA 3.36Å; Q474-T521 PolarHBondContact O-N 2.85Å; Q474-Y662 PolarHBondContact OE1-OH 3.04Å
475P85.9Confident85.6Confident30 Ų3038.2 Ų38.220%0.19521%0.213CC..EExtended strand (participates in β ladder)trans-71.4152.9174.328.3-32.4000111.8R477 V478P475-R477 HydrophobicContact CB-CG 4.13Å; P475-R477 HydrophobicContact CG-CG 3.93Å; P475-R477 PolarHBondContact O-N 3.09Å; P475-R477 VanDerWaalsContact O-N 3.08Å; P475-V478 HydrophobicContact CG-CG2 4.02Å; P475-V478 WeakPolarHBondContact O-CB 3.33Å; P475-V478 PolarHBondContact O-N 3.34Å
476S85.8Confident86.2Confident7 Ų735.3 Ų35.35%0.04920%0.195CC..Hα-helixtrans-53.2-32.3-177.964.40000114.1V478 L479 S480S476-V478 PolarHBondContact O-N 2.77Å; S476-L479 WeakPolarHBondContact O-CA 3.44Å; S476-L479 VanDerWaalsContact O-CB 3.27Å; S476-L479 WeakPolarHBondContact O-CB 3.44Å; S476-L479 PolarHBondContact O-N 3.33Å; S476-S480 PolarHBondContact O-N 2.95Å
477R81.5Confident86.8Confident58 Ų5831.5 Ų31.522%0.21916%0.164CC..Hα-helixtrans-56.1-35.4176.167.5-169.3-178.9-153.611.9113.8P475 L479 S480 H481 D526 Q528P475-R477 HydrophobicContact CB-CG 4.13Å; P475-R477 HydrophobicContact CG-CG 3.93Å; P475-R477 PolarHBondContact O-N 3.09Å; P475-R477 VanDerWaalsContact O-N 3.08Å; R477-L479 VanDerWaalsContact C-N 3.31Å; R477-L479 PolarHBondContact O-N 3.33Å; R477-S480 WeakPolarHBondContact O-CB 3.27Å; R477-S480 PolarHBondContact O-N 3.26Å; R477-H481 PolarHBondContact O-CD2 3.19Å; R477-H481 PolarHBondContact O-N 3.46Å; R477-H481 VanDerWaalsContact O-N 3.07Å; R477-D526 IonicContact CZ-OD2 3.19Å; R477-D526 IonicContact NE-OD2 3.88Å; R477-D526 IonicContact NH1-OD1 3.77Å; R477-D526 PolarHBondContact NH1-OD1 2.97Å; R477-D526 IonicContact NH1-OD2 2.65Å; R477-D526 PolarHBondContact NH1-OD2 3.18Å; R477-Q528 VanDerWaalsContact CZ-OE1 3.32Å
478V85.2Confident87.1Confident15 Ų1533 Ų339%0.09116%0.164CC..Hα-helixtrans-66.1-40177.41770000109.7Q474 P475 S476 S480 H481 I482 F520 Y662Q474-V478 HydrophobicContact CB-CB 4.29Å; Q474-V478 HydrophobicContact CB-CG1 4.48Å; Q474-V478 HydrophobicContact CB-CG2 4.43Å; P475-V478 HydrophobicContact CG-CG2 4.02Å; P475-V478 WeakPolarHBondContact O-CB 3.33Å; P475-V478 PolarHBondContact O-N 3.34Å; S476-V478 PolarHBondContact O-N 2.77Å; V478-S480 VanDerWaalsContact C-N 3.34Å; V478-S480 PolarHBondContact O-N 2.86Å; V478-H481 PolarHBondContact O-N 3.48Å; V478-I482 HydrophobicContact CG1-CD1 4.1Å; V478-I482 WeakPolarHBondContact O-CG1 3.31Å; V478-I482 PolarHBondContact O-N 2.98Å; V478-F520 HydrophobicContact CB-CE1 4.22Å; V478-F520 HydrophobicContact CG1-CE1 4.32Å; V478-Y662 HydrophobicContact CG1-CE1 4.49Å
479L87.9Confident87.5Confident0 Ų032.6 Ų32.60%016%0.162CC..Hα-helixtrans-63.4-39.7174.5-169.158.5000111.7S476 R477 H481 I482 Y483 I502 Y511 F520 L616S476-L479 WeakPolarHBondContact O-CA 3.44Å; S476-L479 VanDerWaalsContact O-CB 3.27Å; S476-L479 WeakPolarHBondContact O-CB 3.44Å; S476-L479 PolarHBondContact O-N 3.33Å; R477-L479 VanDerWaalsContact C-N 3.31Å; R477-L479 PolarHBondContact O-N 3.33Å; L479-H481 VanDerWaalsContact C-N 3.35Å; L479-H481 PolarHBondContact O-N 3.4Å; L479-I482 WeakPolarHBondContact O-CB 3.34Å; L479-I482 PolarHBondContact O-N 3.28Å; L479-Y483 HydrophobicContact CD1-CD2 3.82Å; L479-Y483 HydrophobicContact CD1-CE2 3.68Å; L479-Y483 HydrophobicContact CG-CD2 3.94Å; L479-Y483 HydrophobicContact CG-CE2 4.02Å; L479-Y483 WeakPolarHBondContact O-CD2 3.33Å; L479-Y483 PolarHBondContact O-N 3.09Å; L479-I502 HydrophobicContact CB-CD1 4.03Å; L479-I502 HydrophobicContact CD2-CB 4.49Å; L479-I502 HydrophobicContact CD2-CD1 3.9Å; L479-I502 HydrophobicContact CD2-CG2 3.95Å; L479-I502 HydrophobicContact CG-CD1 3.51Å; L479-Y511 HydrophobicContact CD1-CD1 4.32Å; L479-Y511 HydrophobicContact CD1-CD2 4.39Å; L479-Y511 HydrophobicContact CD1-CE1 4.06Å; L479-Y511 HydrophobicContact CD1-CE2 4.14Å; L479-Y511 HydrophobicContact CD1-CG 4.43Å; L479-Y511 HydrophobicContact CD2-CE2 3.68Å; L479-F520 HydrophobicContact CB-CD1 3.74Å; L479-F520 HydrophobicContact CB-CD2 4.29Å; L479-F520 HydrophobicContact CB-CE1 3.71Å; L479-F520 HydrophobicContact CB-CE2 4.28Å; L479-F520 HydrophobicContact CB-CG 4.03Å; L479-F520 HydrophobicContact CB-CZ 4Å; L479-F520 HydrophobicContact CD1-CD2 4.09Å; L479-F520 HydrophobicContact CD1-CE1 4.37Å; L479-F520 HydrophobicContact CD1-CE2 3.61Å; L479-F520 HydrophobicContact CD1-CZ 3.76Å; L479-F520 HydrophobicContact CD2-CB 4.45Å; L479-F520 HydrophobicContact CD2-CD2 3.87Å; L479-F520 HydrophobicContact CD2-CE2 4.27Å; L479-F520 HydrophobicContact CD2-CG 4.04Å; L479-F520 HydrophobicContact CG-CD2 4.28Å; L479-F520 HydrophobicContact CG-CE2 4.24Å; L479-F520 HydrophobicContact CG-CG 4.46Å; L479-F520 HydrophobicContact CG-CZ 4.35Å; L479-L616 HydrophobicContact CD1-CD1 4.42Å
480S85.9Confident88Confident2 Ų232.2 Ų32.21%0.01417%0.169CC..Hα-helixtrans-59.7-42.6173.8-72.70000112.5S476 R477 V478 Y483 A484 R500 R501 I502S476-S480 PolarHBondContact O-N 2.95Å; R477-S480 WeakPolarHBondContact O-CB 3.27Å; R477-S480 PolarHBondContact O-N 3.26Å; V478-S480 VanDerWaalsContact C-N 3.34Å; V478-S480 PolarHBondContact O-N 2.86Å; S480-Y483 PolarHBondContact O-N 2.74Å; S480-A484 WeakPolarHBondContact O-CB 3.41Å; S480-A484 PolarHBondContact O-N 2.81Å; S480-R500 WeakPolarHBondContact CB-O 3.36Å; S480-R500 PolarHBondContact OG-O 3.25Å; S480-R501 WeakPolarHBondContact OG-CA 3.36Å; S480-I502 PolarHBondContact OG-N 3.44Å
481H84.9Confident88.3Confident91 Ų9137.3 Ų37.342%0.42118%0.177SC..Hα-helixtrans-66.4-36.5174.6-75.4-68.6000113R477 V478 L479 A484 Y499 L659R477-H481 PolarHBondContact O-CD2 3.19Å; R477-H481 PolarHBondContact O-N 3.46Å; R477-H481 VanDerWaalsContact O-N 3.07Å; V478-H481 PolarHBondContact O-N 3.48Å; L479-H481 VanDerWaalsContact C-N 3.35Å; L479-H481 PolarHBondContact O-N 3.4Å; H481-A484 WeakPolarHBondContact O-CB 3.45Å; H481-A484 PolarHBondContact O-N 2.93Å; H481-Y499 AromaticContact CD2-CE2 3.89Å; H481-Y499 AromaticContact CE1-CD2 3.95Å; H481-Y499 AromaticContact CE1-CE2 3.5Å; H481-Y499 VanDerWaalsContact CE1-CE2 3.5Å; H481-Y499 WeakPolarHBondContact CE1-CE2 3.34Å; H481-Y499 AromaticContact CG-CE2 3.92Å; H481-Y499 AromaticContact ND1-CD2 3.89Å; H481-Y499 AromaticContact ND1-CE2 3.68Å; H481-Y499 AromaticContact NE2-CE2 3.62Å; H481-L659 HydrophobicContact CB-CD2 3.92Å
482I87.3Confident88.6Confident1 Ų139.4 Ų39.41%0.00519%0.188CC..Hα-helixtrans-61.1-51.8174-74.8161.7000110.5V478 L479 A484 R485 I513 F520 L616 F618 L619V478-I482 HydrophobicContact CG1-CD1 4.1Å; V478-I482 WeakPolarHBondContact O-CG1 3.31Å; V478-I482 PolarHBondContact O-N 2.98Å; L479-I482 WeakPolarHBondContact O-CB 3.34Å; L479-I482 PolarHBondContact O-N 3.28Å; I482-A484 VanDerWaalsContact C-N 3.27Å; I482-A484 PolarHBondContact O-N 2.83Å; I482-R485 WeakPolarHBondContact O-CB 3.46Å; I482-R485 PolarHBondContact O-N 3.24Å; I482-R485 VanDerWaalsContact O-N 3.15Å; I482-I513 HydrophobicContact CD1-CD1 3.84Å; I482-F520 HydrophobicContact CD1-CZ 4.19Å; I482-L616 HydrophobicContact CG2-CD1 3.72Å; I482-F618 HydrophobicContact CG2-CZ 4.13Å; I482-L619 HydrophobicContact CG1-CD1 4.45Å; I482-L619 HydrophobicContact CG2-CD1 3.73Å
483Y89.4Confident88.8Confident5 Ų540.1 Ų40.12%0.0221%0.205CC..Hα-helixtrans-68-24.9179.9-89-81.8000113.3L231 L479 S480 R485 L486 R497 I502 Y511 L616L231-Y483 HydrophobicContact CD2-CD1 4.09Å; L231-Y483 HydrophobicContact CD2-CD2 4.34Å; L231-Y483 HydrophobicContact CD2-CE1 3.73Å; L231-Y483 HydrophobicContact CD2-CE2 3.99Å; L231-Y483 HydrophobicContact CD2-CG 4.37Å; L479-Y483 HydrophobicContact CD1-CD2 3.82Å; L479-Y483 HydrophobicContact CD1-CE2 3.68Å; L479-Y483 HydrophobicContact CG-CD2 3.94Å; L479-Y483 HydrophobicContact CG-CE2 4.02Å; L479-Y483 WeakPolarHBondContact O-CD2 3.33Å; L479-Y483 PolarHBondContact O-N 3.09Å; S480-Y483 PolarHBondContact O-N 2.74Å; Y483-R485 PolarHBondContact O-N 2.95Å; Y483-R485 VanDerWaalsContact O-N 3.14Å; Y483-L486 HydrophobicContact CD1-CD2 3.92Å; Y483-L486 HydrophobicContact CE1-CD2 4.2Å; Y483-L486 WeakPolarHBondContact O-CB 3.31Å; Y483-L486 PolarHBondContact O-N 3.03Å; Y483-R497 VanDerWaalsContact O-CB 3.31Å; Y483-R497 WeakPolarHBondContact O-CB 3.3Å; Y483-I502 HydrophobicContact CD2-CD1 3.47Å; Y483-I502 VanDerWaalsContact CD2-CD1 3.47Å; Y483-I502 HydrophobicContact CE2-CD1 4.12Å; Y483-I502 HydrophobicContact CG-CD1 4.12Å; Y483-Y511 AromaticContact CE2-CE1 4Å; Y483-Y511 HydrophobicContact CE2-CE1 4Å; Y483-L616 HydrophobicContact CE2-CD1 4.33Å
484A88.1Confident89.1Confident25 Ų2539.4 Ų39.421%0.20720%0.201CC..Hα-helixtrans-59-24173.200000112.7S480 H481 I482 R497S480-A484 WeakPolarHBondContact O-CB 3.41Å; S480-A484 PolarHBondContact O-N 2.81Å; H481-A484 WeakPolarHBondContact O-CB 3.45Å; H481-A484 PolarHBondContact O-N 2.93Å; I482-A484 VanDerWaalsContact C-N 3.27Å; I482-A484 PolarHBondContact O-N 2.83Å; A484-R497 WeakPolarHBondContact CA-O 3.33Å; A484-R497 PolarHBondContact O-N 2.96Å
485R85.8Confident89.3Confident52 Ų5241.2 Ų41.220%0.19621%0.214CC..THydrogen-bonded Turntrans-80.2-17.1175.7-64-178.5163.4-172.5-10.5113.9I482 Y483 G487 R488 F618 A656I482-R485 WeakPolarHBondContact O-CB 3.46Å; I482-R485 PolarHBondContact O-N 3.24Å; I482-R485 VanDerWaalsContact O-N 3.15Å; Y483-R485 PolarHBondContact O-N 2.95Å; Y483-R485 VanDerWaalsContact O-N 3.14Å; R485-G487 PolarHBondContact O-N 2.9Å; R485-R488 WeakPolarHBondContact O-CB 3.39Å; R485-R488 PolarHBondContact O-N 3.28Å; R485-F618 HydrophobicContact CB-CE2 4.49Å; R485-A656 PolarHBondContact NH2-O 2.87Å
486L90.9Very high89.6Confident7 Ų739.8 Ų39.84%0.03720%0.204CC..THydrogen-bonded Turntrans-63.8130.5-178-179.164.4000110.1Q166 F170 H229 Y483 R488 G496 R497 F618Q166-L486 HydrophobicContact CG-CD1 4.18Å; Q166-L486 HydrophobicContact CG-CD2 4.36Å; Q166-L486 HydrophobicContact CG-CG 3.84Å; F170-L486 HydrophobicContact CE1-CD2 4.17Å; F170-L486 VanDerWaalsContact CE2-O 3.29Å; F170-L486 WeakPolarHBondContact CE2-O 3.47Å; F170-L486 HydrophobicContact CZ-CB 4.14Å; F170-L486 HydrophobicContact CZ-CD2 3.87Å; F170-L486 HydrophobicContact CZ-CG 3.85Å; H229-L486 HydrophobicContact CB-CD2 3.97Å; Y483-L486 HydrophobicContact CD1-CD2 3.92Å; Y483-L486 HydrophobicContact CE1-CD2 4.2Å; Y483-L486 WeakPolarHBondContact O-CB 3.31Å; Y483-L486 PolarHBondContact O-N 3.03Å; L486-R488 VanDerWaalsContact C-N 3.3Å; L486-R488 PolarHBondContact O-N 3Å; L486-G496 CarbonylContact O-C 3.51Å; L486-G496 WeakPolarHBondContact O-CA 3.24Å; L486-R497 PolarHBondContact O-N 2.94Å; L486-F618 HydrophobicContact CB-CE1 4.49Å; L486-F618 HydrophobicContact CB-CE2 4.15Å; L486-F618 HydrophobicContact CB-CZ 4.12Å; L486-F618 HydrophobicContact CD1-CB 4.38Å; L486-F618 HydrophobicContact CD1-CD1 3.62Å; L486-F618 HydrophobicContact CD1-CD2 4.25Å; L486-F618 HydrophobicContact CD1-CE1 3.85Å; L486-F618 HydrophobicContact CD1-CE2 4.47Å; L486-F618 HydrophobicContact CD1-CG 3.83Å; L486-F618 HydrophobicContact CD1-CZ 4.28Å
487G91.4Very high89.8Confident6 Ų639.8 Ų39.86%0.06220%0.203CC..THydrogen-bonded Turntrans74.88.9-179.300000115.3N167 R485 N489N167-G487 PolarHBondContact ND2-O 3.02Å; R485-G487 PolarHBondContact O-N 2.9Å; G487-N489 PolarHBondContact O-N 3.16Å
488R91.9Very high90.1Very high103 Ų10337.3 Ų37.339%0.38920%0.195SC..  trans-66.9124.7175.3-173.7177.1178.1-1710.1110.5R485 L486R485-R488 WeakPolarHBondContact O-CB 3.39Å; R485-R488 PolarHBondContact O-N 3.28Å; L486-R488 VanDerWaalsContact C-N 3.3Å; L486-R488 PolarHBondContact O-N 3Å
489N93.8Very high90Very high3 Ų341.8 Ų41.82%0.01621%0.211CC..BIsolated β-bridgetrans-141.894.8176.4-168.9-34.5000110.8D160 D163 G487 R491 L492 G493 L494D160-N489 PolarHBondContact OD1-ND2 3.43Å; D163-N489 HydrophobicContact CB-CB 3.95Å; D163-N489 PolarHBondContact OD2-ND2 2.94Å; G487-N489 PolarHBondContact O-N 3.16Å; N489-R491 VanDerWaalsContact C-N 3.26Å; N489-R491 PolarHBondContact O-N 3.01Å; N489-R491 WeakPolarHBondContact OD1-CB 3.39Å; N489-R491 PolarHBondContact OD1-N 2.95Å; N489-L492 HydrophobicContact CB-CB 4.45Å; N489-L492 PolarHBondContact O-N 3Å; N489-L492 PolarHBondContact OD1-N 3.41Å; N489-G493 PolarHBondContact O-N 2.72Å; N489-L494 CarbonylContact C-O 3.53Å; N489-L494 HydrophobicContact CB-CB 4.2Å; N489-L494 HydrophobicContact CB-CD1 4.45Å; N489-L494 PolarHBondContact N-O 2.97Å; N489-L494 PolarHBondContact O-N 3.28Å
490P90.5Very high89.6Confident99 Ų9943.3 Ų43.364%0.64322%0.217SC*.G310 helixtrans-61.1-31.1-178.6-24.834.8000114L492 G493P490-L492 PolarHBondContact O-N 2.59Å; P490-G493 PolarHBondContact O-N 2.91Å
491R92.8Very high89.3Confident191 Ų19147.6 Ų47.672%0.72123%0.232SC*.G310 helixtrans-65.6-31.1-179.8-62.7-171.4-66.4167.6-6.1112.3D160 N489D160-R491 IonicContact OD1-CZ 3.61Å; D160-R491 IonicContact OD1-NE 2.72Å; D160-R491 IonicContact OD1-NH2 2.72Å; D160-R491 PolarHBondContact OD1-NH2 3.19Å; D160-R491 IonicContact OD2-CZ 2.71Å; D160-R491 IonicContact OD2-NH1 3.9Å; D160-R491 IonicContact OD2-NH2 3.59Å; D160-R491 PolarHBondContact OD2-NH2 3.38Å; N489-R491 VanDerWaalsContact C-N 3.26Å; N489-R491 PolarHBondContact O-N 3.01Å; N489-R491 WeakPolarHBondContact OD1-CB 3.39Å; N489-R491 PolarHBondContact OD1-N 2.95Å
492L94.2Very high89.3Confident52 Ų5243.3 Ų43.327%0.27221%0.213SC..G310 helixtrans-99.62.8178.8-63.4-174.6000113.2L96 D160 V164 N489 P490 L494L96-L492 HydrophobicContact CD1-CB 4.13Å; L96-L492 HydrophobicContact CD1-CD1 4.14Å; L96-L492 HydrophobicContact CD1-CD2 4.21Å; L96-L492 HydrophobicContact CD1-CG 4.4Å; D160-L492 HydrophobicContact CB-CD1 4.03Å; V164-L492 HydrophobicContact CG2-CD1 3.61Å; N489-L492 HydrophobicContact CB-CB 4.45Å; N489-L492 PolarHBondContact O-N 3Å; N489-L492 PolarHBondContact OD1-N 3.41Å; P490-L492 PolarHBondContact O-N 2.59Å; L492-L494 VanDerWaalsContact C-N 3.26Å; L492-L494 HydrophobicContact CB-CD1 4.04Å; L492-L494 HydrophobicContact CB-CG 4.05Å; L492-L494 HydrophobicContact CD1-CD1 4.22Å; L492-L494 PolarHBondContact O-N 2.9Å
493G94.4Very high89.3Confident50 Ų5044.4 Ų44.452%0.51522%0.224SC..THydrogen-bonded Turntrans7018.8-17600000114.4N489 P490N489-G493 PolarHBondContact O-N 2.72Å; P490-G493 PolarHBondContact O-N 2.91Å
494L95.3Very high89.4Confident3 Ų344.7 Ų44.72%0.01623%0.227CC..BIsolated β-bridgetrans-92.2120.5-178-61.5172.4000110.5E100 V164 N167 N489 L492E100-L494 WeakPolarHBondContact OE2-CA 3.48Å; V164-L494 HydrophobicContact CG2-CD1 4.17Å; N167-L494 HydrophobicContact CB-CD1 4.39Å; N167-L494 HydrophobicContact CB-CD2 4.35Å; N489-L494 CarbonylContact C-O 3.53Å; N489-L494 HydrophobicContact CB-CB 4.2Å; N489-L494 HydrophobicContact CB-CD1 4.45Å; N489-L494 PolarHBondContact N-O 2.97Å; N489-L494 PolarHBondContact O-N 3.28Å; L492-L494 VanDerWaalsContact C-N 3.26Å; L492-L494 HydrophobicContact CB-CD1 4.04Å; L492-L494 HydrophobicContact CB-CG 4.05Å; L492-L494 HydrophobicContact CD1-CD1 4.22Å; L492-L494 PolarHBondContact O-N 2.9Å
495T93.1Very high89.6Confident65 Ų6543.7 Ų43.740%0.39922%0.218SC..  trans-80.5-16.4-17661.80000113.9E100 K103 Y104E100-T495 WeakPolarHBondContact OE1-CB 3.33Å; E100-T495 VanDerWaalsContact OE1-CG2 3.24Å; E100-T495 WeakPolarHBondContact OE1-CG2 3.3Å; E100-T495 PolarHBondContact OE1-OG1 3.33Å; E100-T495 PolarHBondContact OE2-N 3.47Å; E100-T495 PolarHBondContact OE2-OG1 3.38Å; K103-T495 PolarHBondContact NZ-OG1 2.81Å; Y104-T495 PolarHBondContact OH-OG1 3.14Å
496G91.3Very high89.9Confident0 Ų041.2 Ų41.20%021%0.209CC..  trans95.5-159.4-173.100000113.2K103 L486K103-G496 PolarHBondContact NZ-O 2.79Å; L486-G496 CarbonylContact O-C 3.51Å; L486-G496 WeakPolarHBondContact O-CA 3.24Å
497R90.8Very high90Very high7 Ų741 Ų413%0.02621%0.207CC..SBendtrans-68.8131.3-179.9-166.3178.7172.1-1023.3110.1F170 E173 D234 Y483 A484 L486 R500F170-R497 HydrophobicContact CD1-CB 4.25Å; F170-R497 HydrophobicContact CD1-CG 3.91Å; F170-R497 HydrophobicContact CD2-CB 4.16Å; F170-R497 HydrophobicContact CE1-CB 3.81Å; F170-R497 HydrophobicContact CE1-CG 3.77Å; F170-R497 HydrophobicContact CE2-CB 3.73Å; F170-R497 HydrophobicContact CE2-CG 4.44Å; F170-R497 VanDerWaalsContact CE2-N 3.34Å; F170-R497 HydrophobicContact CG-CB 4.41Å; F170-R497 HydrophobicContact CG-CG 4.3Å; F170-R497 HydrophobicContact CZ-CB 3.53Å; F170-R497 HydrophobicContact CZ-CG 4.06Å; E173-R497 IonicContact OE1-NE 2.98Å; E173-R497 IonicContact OE2-NE 3.7Å; D234-R497 IonicContact OD2-NH2 2.68Å; Y483-R497 VanDerWaalsContact O-CB 3.31Å; Y483-R497 WeakPolarHBondContact O-CB 3.3Å; A484-R497 WeakPolarHBondContact CA-O 3.33Å; A484-R497 PolarHBondContact O-N 2.96Å; L486-R497 PolarHBondContact O-N 2.94Å; R497-R500 PolarHBondContact NH1-O 3.17Å
498P87.5Confident90.3Very high7 Ų740.7 Ų40.75%0.04520%0.204CC..  trans-56.9144.2170.1-24.335.6000110.5K103 Y104 R500K103-P498 HydrophobicContact CB-CG 3.79Å; K103-P498 HydrophobicContact CD-CG 4.32Å; K103-P498 HydrophobicContact CG-CG 4.45Å; Y104-P498 HydrophobicContact CD1-CB 4.36Å; Y104-P498 HydrophobicContact CE1-CB 3.75Å; Y104-P498 HydrophobicContact CE1-CG 4.06Å; Y104-P498 HydrophobicContact CE2-CG 4.46Å; P498-R500 HydrophobicContact CB-CG 4.42Å; P498-R500 PolarHBondContact O-N 2.8Å
499Y82.8Confident90.4Very high109 Ų10936.6 Ų36.643%0.42719%0.189SC..  trans-58.9110.6174.7-177.9-92000109.5H481H481-Y499 AromaticContact CD2-CE2 3.89Å; H481-Y499 AromaticContact CE1-CD2 3.95Å; H481-Y499 AromaticContact CE1-CE2 3.5Å; H481-Y499 VanDerWaalsContact CE1-CE2 3.5Å; H481-Y499 WeakPolarHBondContact CE1-CE2 3.34Å; H481-Y499 AromaticContact CG-CE2 3.92Å; H481-Y499 AromaticContact ND1-CD2 3.89Å; H481-Y499 AromaticContact ND1-CE2 3.68Å; H481-Y499 AromaticContact NE2-CE2 3.62Å
500R80Confident90.4Very high32 Ų3236.5 Ų36.512%0.12119%0.189CC..  trans-139.9140-179.9-66.3170.3-171.4-173.94.7107.9K103 E173 S480 R497 P498K103-R500 PolarHBondContact O-NH2 3.17Å; E173-R500 VanDerWaalsContact CG-NH1 3.33Å; E173-R500 IonicContact OE1-CZ 2.69Å; E173-R500 IonicContact OE1-NE 3.9Å; E173-R500 IonicContact OE1-NH1 3.54Å; E173-R500 PolarHBondContact OE1-NH1 2.88Å; S480-R500 WeakPolarHBondContact CB-O 3.36Å; S480-R500 PolarHBondContact OG-O 3.25Å; R497-R500 PolarHBondContact NH1-O 3.17Å; P498-R500 HydrophobicContact CB-CG 4.42Å; P498-R500 PolarHBondContact O-N 2.8Å
501R78.5Confident90.6Very high91 Ų9131.8 Ų31.834%0.34316%0.158SC..  trans-60.6153.8178.2-66.7158.9-173.6-90.35.3110.3S480 E836S480-R501 WeakPolarHBondContact OG-CA 3.36Å; R501-E836 WeakPolarHBondContact CD-O 3.44Å; R501-E836 PolarHBondContact NE-O 3.43Å; R501-E836 IonicContact NH1-OE1 2.67Å; R501-E836 PolarHBondContact NH1-OE1 3.37Å; R501-E836 IonicContact NH1-OE2 3.71Å; R501-E836 PolarHBondContact NH1-OE2 2.91Å
502I86Confident90.5Very high1 Ų124.8 Ų24.81%0.00513%0.134CC..  trans-115.2124.9179.2-66.4172.3000107.3L231 L479 S480 Y483 T507L231-I502 HydrophobicContact CD1-CG1 4.27Å; L479-I502 HydrophobicContact CB-CD1 4.03Å; L479-I502 HydrophobicContact CD2-CB 4.49Å; L479-I502 HydrophobicContact CD2-CD1 3.9Å; L479-I502 HydrophobicContact CD2-CG2 3.95Å; L479-I502 HydrophobicContact CG-CD1 3.51Å; S480-I502 PolarHBondContact OG-N 3.44Å; Y483-I502 HydrophobicContact CD2-CD1 3.47Å; Y483-I502 VanDerWaalsContact CD2-CD1 3.47Å; Y483-I502 HydrophobicContact CE2-CD1 4.12Å; Y483-I502 HydrophobicContact CG-CD1 4.12Å; I502-T507 HydrophobicContact CG2-CG2 4.4Å
503G87.7Confident90.2Very high24 Ų2422.4 Ų22.425%0.24712%0.122CC..  trans-80-173-176.100000112.6D233 L505 G506 T507D233-G503 VanDerWaalsContact OD1-C 3.25Å; D233-G503 VanDerWaalsContact OD1-CA 3.27Å; D233-G503 WeakPolarHBondContact OD1-CA 3.43Å; D233-G503 PolarHBondContact OD2-N 3.26Å; G503-L505 PolarHBondContact O-N 3.18Å; G503-G506 PolarHBondContact O-N 3.38Å; G503-T507 PolarHBondContact O-N 3.3Å; G503-T507 PolarHBondContact O-OG1 3.02Å
504V90.7Very high89.6Confident12 Ų1223.5 Ų23.57%0.07311%0.111CC..Hα-helixtrans-64.5-28.1-173.876.60000113D233 G506 T507 S508 E546 Y549 L550D233-V504 PolarHBondContact OD1-N 3.46Å; V504-G506 VanDerWaalsContact C-N 3.34Å; V504-T507 WeakPolarHBondContact CA-OG1 3.34Å; V504-T507 PolarHBondContact O-N 2.7Å; V504-T507 PolarHBondContact O-OG1 3.02Å; V504-S508 WeakPolarHBondContact CG2-OG 3.4Å; V504-S508 WeakPolarHBondContact O-CB 3.46Å; V504-S508 PolarHBondContact O-N 2.97Å; V504-S508 PolarHBondContact O-OG 3.45Å; V504-E546 WeakPolarHBondContact CB-OE2 3.1Å; V504-E546 WeakPolarHBondContact CG1-OE2 3.21Å; V504-E546 HydrophobicContact CG2-CB 4.15Å; V504-Y549 HydrophobicContact CG1-CD1 3.66Å; V504-Y549 HydrophobicContact CG1-CE1 4.08Å; V504-L550 HydrophobicContact CG1-CD2 3.88Å; V504-L550 HydrophobicContact CG1-CG 4.06Å; V504-L550 HydrophobicContact CG2-CD1 3.84Å; V504-L550 HydrophobicContact CG2-CD2 4.08Å; V504-L550 HydrophobicContact CG2-CG 3.98Å
505L92.1Very high89.1Confident4 Ų430.5 Ų30.52%0.02115%0.148CC..Hα-helixtrans-69.1-38.8179.4-64.1167.3000110.3A232 D233 Q236 G503 Y549 L550 W554A232-L505 HydrophobicContact CB-CB 3.9Å; D233-L505 VanDerWaalsContact OD1-CB 3.29Å; D233-L505 WeakPolarHBondContact OD1-CB 3.47Å; D233-L505 PolarHBondContact OD1-N 3.47Å; Q236-L505 HydrophobicContact CB-CD1 3.56Å; Q236-L505 HydrophobicContact CG-CD1 3.87Å; G503-L505 PolarHBondContact O-N 3.18Å; L505-Y549 HydrophobicContact CD1-CE1 3.95Å; L505-Y549 HydrophobicContact CD2-CE1 4.46Å; L505-Y549 HydrophobicContact CG-CE1 4.01Å; L505-L550 HydrophobicContact CD2-CD2 3.87Å; L505-W554 HydrophobicContact CD2-CE3 3.68Å; L505-W554 HydrophobicContact CD2-CZ3 4.18Å; L505-W554 WeakPolarHBondContact O-CZ3 3.3Å
506G92.2Very high88.9Confident0 Ų028.7 Ų28.70%014%0.137CC..Hα-helixtrans-69.1-43.6171.700000113.3D233 G503 V504 S508 K509 Y511D233-G506 PolarHBondContact OD2-N 2.9Å; G503-G506 PolarHBondContact O-N 3.38Å; V504-G506 VanDerWaalsContact C-N 3.34Å; G506-S508 PolarHBondContact O-N 3.41Å; G506-K509 WeakPolarHBondContact O-CG 3.39Å; G506-Y511 VanDerWaalsContact O-CE2 3.27Å; G506-Y511 WeakPolarHBondContact O-CE2 3.35Å; G506-Y511 PolarHBondContact O-OH 3.42Å
507T94.2Very high88.9Confident1 Ų130.9 Ų30.91%0.00615%0.148CC..Hα-helixtrans-76-21.4-175.461.60000114.2I502 G503 V504 K509 F520I502-T507 HydrophobicContact CG2-CG2 4.4Å; G503-T507 PolarHBondContact O-N 3.3Å; G503-T507 PolarHBondContact O-OG1 3.02Å; V504-T507 WeakPolarHBondContact CA-OG1 3.34Å; V504-T507 PolarHBondContact O-N 2.7Å; V504-T507 PolarHBondContact O-OG1 3.02Å; T507-K509 PolarHBondContact O-N 3.41Å; T507-K509 VanDerWaalsContact O-N 3.12Å; T507-F520 HydrophobicContact CG2-CB 4.3Å
508S95.6Very high89.1Confident1 Ų130.7 Ų30.71%0.00715%0.148CC..SBendtrans-87.337.4-172.7-54.70000114.3V504 G506 W554 P560 T561V504-S508 WeakPolarHBondContact CG2-OG 3.4Å; V504-S508 WeakPolarHBondContact O-CB 3.46Å; V504-S508 PolarHBondContact O-N 2.97Å; V504-S508 PolarHBondContact O-OG 3.45Å; G506-S508 PolarHBondContact O-N 3.41Å; S508-W554 WeakPolarHBondContact O-CH2 3.15Å; S508-P560 CarbonylContact O-C 3.16Å; S508-P560 WeakPolarHBondContact O-CA 3.12Å; S508-T561 CarbonylContact C-O 3.57Å; S508-T561 VanDerWaalsContact C-O 3.22Å; S508-T561 WeakPolarHBondContact CA-O 3.48Å; S508-T561 PolarHBondContact O-N 3.02Å
509K94.6Very high89.4Confident16 Ų1630.4 Ų30.47%0.0715%0.146CC..SBendtrans-146.5164.3176.961.5-176.8179.8-178.80111.3G506 T507 Y511 W554 C612 A614G506-K509 WeakPolarHBondContact O-CG 3.39Å; T507-K509 PolarHBondContact O-N 3.41Å; T507-K509 VanDerWaalsContact O-N 3.12Å; K509-Y511 HydrophobicContact CD-CE2 4.46Å; K509-Y511 WeakPolarHBondContact CE-OH 3.48Å; K509-Y511 HydrophobicContact CG-CD2 4.32Å; K509-Y511 HydrophobicContact CG-CE2 3.68Å; K509-W554 HydrophobicContact CB-CH2 4.3Å; K509-C612 HydrophobicContact CB-CB 3.87Å; K509-C612 WeakPolarHBondContact CB-O 3.27Å; K509-A614 HydrophobicContact CD-CB 4.14Å
510F95.2Very high89.9Confident2 Ų225.3 Ų25.31%0.00913%0.126CC..EExtended strand (participates in β ladder)trans-82.3149.5171.1-69.1-67.1000111.1I471 I517 F518 A519 T561 L604 L608 S611 C612 C613 A614I471-F510 HydrophobicContact CD1-CE1 4.37Å; I471-F510 HydrophobicContact CG2-CE1 4.14Å; F510-I517 HydrophobicContact CB-CG2 4.18Å; F510-I517 HydrophobicContact CD1-CG2 3.78Å; F510-I517 HydrophobicContact CG-CG2 4.21Å; F510-F518 WeakPolarHBondContact CA-O 3.24Å; F510-A519 HydrophobicContact CD1-CB 3.97Å; F510-A519 HydrophobicContact CE1-CB 3.89Å; F510-T561 HydrophobicContact CE2-CG2 4.33Å; F510-T561 HydrophobicContact CZ-CG2 4.33Å; F510-L604 HydrophobicContact CE1-CD2 3.99Å; F510-L604 HydrophobicContact CZ-CB 4.3Å; F510-L604 HydrophobicContact CZ-CD2 3.8Å; F510-L608 HydrophobicContact CD1-CD2 4.25Å; F510-L608 HydrophobicContact CD2-CD2 3.97Å; F510-L608 HydrophobicContact CE1-CD2 4.11Å; F510-L608 HydrophobicContact CE2-CD2 3.81Å; F510-L608 HydrophobicContact CE2-CG 4.45Å; F510-L608 HydrophobicContact CG-CD2 4.19Å; F510-L608 HydrophobicContact CZ-CD2 3.89Å; F510-S611 VanDerWaalsContact CD2-CB 3.46Å; F510-S611 VanDerWaalsContact CE2-OG 3.32Å; F510-S611 WeakPolarHBondContact CE2-OG 3.24Å; F510-C612 PolarHBondContact N-O 3.05Å; F510-C613 HydrophobicContact CB-CB 4.42Å; F510-C613 CarbonylContact O-C 3.54Å; F510-C613 WeakPolarHBondContact O-CA 3.35Å; F510-A614 PolarHBondContact O-N 2.86Å
511Y93.4Very high90.4Very high0 Ų024.6 Ų24.60%013%0.125CC..EExtended strand (participates in β ladder)trans-124.6129.4176.8-73.5-88.4000110.2L479 Y483 G506 K509 I517 F518 F520 A614 L616L479-Y511 HydrophobicContact CD1-CD1 4.32Å; L479-Y511 HydrophobicContact CD1-CD2 4.39Å; L479-Y511 HydrophobicContact CD1-CE1 4.06Å; L479-Y511 HydrophobicContact CD1-CE2 4.14Å; L479-Y511 HydrophobicContact CD1-CG 4.43Å; L479-Y511 HydrophobicContact CD2-CE2 3.68Å; Y483-Y511 AromaticContact CE2-CE1 4Å; Y483-Y511 HydrophobicContact CE2-CE1 4Å; G506-Y511 VanDerWaalsContact O-CE2 3.27Å; G506-Y511 WeakPolarHBondContact O-CE2 3.35Å; G506-Y511 PolarHBondContact O-OH 3.42Å; K509-Y511 HydrophobicContact CD-CE2 4.46Å; K509-Y511 WeakPolarHBondContact CE-OH 3.48Å; K509-Y511 HydrophobicContact CG-CD2 4.32Å; K509-Y511 HydrophobicContact CG-CE2 3.68Å; Y511-I517 CarbonylContact O-C 3.59Å; Y511-I517 WeakPolarHBondContact O-CA 3.3Å; Y511-F518 PolarHBondContact N-O 3.09Å; Y511-F518 PolarHBondContact O-N 3.39Å; Y511-F520 AromaticContact CD2-CD2 3.51Å; Y511-F520 HydrophobicContact CD2-CD2 3.51Å; Y511-F520 AromaticContact CD2-CE2 3.53Å; Y511-F520 HydrophobicContact CD2-CE2 3.53Å; Y511-F520 AromaticContact CE2-CD2 3.85Å; Y511-F520 HydrophobicContact CE2-CD2 3.85Å; Y511-F520 HydrophobicContact CE2-CE2 4.16Å; Y511-F520 HydrophobicContact CG-CD2 4.38Å; Y511-F520 AromaticContact CG-CE2 3.94Å; Y511-F520 HydrophobicContact CG-CE2 3.94Å; Y511-A614 CarbonylContact C-O 3.57Å; Y511-A614 VanDerWaalsContact CA-O 3.31Å; Y511-A614 WeakPolarHBondContact CA-O 3.38Å; Y511-A614 HydrophobicContact CD1-CB 3.87Å; Y511-A614 HydrophobicContact CE1-CB 3.89Å; Y511-L616 HydrophobicContact CD1-CD1 3.65Å; Y511-L616 HydrophobicContact CD1-CD2 3.99Å; Y511-L616 HydrophobicContact CD1-CG 3.79Å; Y511-L616 HydrophobicContact CE1-CD1 4.13Å; Y511-L616 HydrophobicContact CE1-CD2 4.12Å; Y511-L616 HydrophobicContact CE1-CG 4.37Å
512I91Very high91Very high43 Ų4320.4 Ų20.422%0.22111%0.11CC..EExtended strand (participates in β ladder)trans-98.6117170.8-60.9167.9000107.7T516 I517 C613 A614 L616I512-T516 WeakPolarHBondContact CA-O 3.49Å; I512-I517 HydrophobicContact CG1-CG1 4.45Å; I512-C613 VanDerWaalsContact CD1-SG 3.51Å; I512-A614 PolarHBondContact N-O 2.99Å; I512-L616 PolarHBondContact O-N 2.95Å
513I87.4Confident90.8Very high2 Ų221.1 Ų21.11%0.0111%0.113CC..EExtended strand (participates in β ladder)trans-128.6122177.6-59.6158000106.9I482 N515 T516 F518 L616 L619I482-I513 HydrophobicContact CD1-CD1 3.84Å; I513-N515 PolarHBondContact O-N 3.42Å; I513-T516 PolarHBondContact N-O 3.32Å; I513-T516 WeakPolarHBondContact O-CB 3.18Å; I513-T516 PolarHBondContact O-N 3.43Å; I513-F518 HydrophobicContact CB-CD2 4.02Å; I513-F518 HydrophobicContact CB-CE2 3.93Å; I513-F518 HydrophobicContact CD1-CB 4.48Å; I513-F518 HydrophobicContact CD1-CD2 3.75Å; I513-F518 HydrophobicContact CD1-CE2 4.18Å; I513-F518 HydrophobicContact CD1-CG 4.14Å; I513-F518 HydrophobicContact CG1-CD2 4.24Å; I513-L616 HydrophobicContact CD1-CD1 4.17Å; I513-L616 HydrophobicContact CG1-CB 4.08Å; I513-L616 HydrophobicContact CG1-CD1 4Å; I513-L616 HydrophobicContact CG1-CG 4.3Å; I513-L619 HydrophobicContact CG2-CB 4.34Å; I513-L619 HydrophobicContact CG2-CD1 3.66Å
514R83Confident90.6Very high73 Ų7320.9 Ų20.928%0.27511%0.105SC..THydrogen-bonded Turntrans48.446.4-177.9-62.1179.7177.7-179.9-1.7112.8T516 L619 D620 D664 L667R514-T516 PolarHBondContact O-N 2.88Å; R514-T516 VanDerWaalsContact O-N 3.13Å; R514-T516 PolarHBondContact O-OG1 2.82Å; R514-L619 PolarHBondContact NE-O 3.01Å; R514-L619 VanDerWaalsContact NE-O 3.16Å; R514-L619 PolarHBondContact NH2-O 3.07Å; R514-D620 VanDerWaalsContact CA-OD1 3.27Å; R514-D620 WeakPolarHBondContact CA-OD1 3.31Å; R514-D620 WeakPolarHBondContact CG-OD1 3.48Å; R514-D620 PolarHBondContact N-OD1 3.21Å; R514-D620 VanDerWaalsContact N-OD1 3.15Å; R514-D664 IonicContact CZ-OD1 3.2Å; R514-D664 IonicContact NH1-OD1 3.36Å; R514-D664 PolarHBondContact NH1-OD1 3.07Å; R514-D664 IonicContact NH1-OD2 3.54Å; R514-D664 PolarHBondContact NH1-OD2 3.4Å; R514-L667 HydrophobicContact CB-CD1 4.21Å
515N83.8Confident90.1Very high150 Ų15021.1 Ų21.180%0.80211%0.106SC*.THydrogen-bonded Turntrans60.517-178.5-155.850.8000115.5I513I513-N515 PolarHBondContact O-N 3.42Å
516T88.8Confident89.1Confident28 Ų2822 Ų2217%0.17211%0.11CC..EExtended strand (participates in β ladder)trans-114.8142.1176.8-56.70000110H472 I512 I513 R514 F518 L667H472-T516 VanDerWaalsContact CD2-CG2 3.45Å; H472-T516 WeakPolarHBondContact CD2-CG2 3.25Å; I512-T516 WeakPolarHBondContact CA-O 3.49Å; I513-T516 PolarHBondContact N-O 3.32Å; I513-T516 WeakPolarHBondContact O-CB 3.18Å; I513-T516 PolarHBondContact O-N 3.43Å; R514-T516 PolarHBondContact O-N 2.88Å; R514-T516 VanDerWaalsContact O-N 3.13Å; R514-T516 PolarHBondContact O-OG1 2.82Å; T516-F518 HydrophobicContact CG2-CD2 4.45Å; T516-F518 HydrophobicContact CG2-CE2 3.82Å; T516-F518 HydrophobicContact CG2-CZ 4.22Å; T516-F518 WeakPolarHBondContact O-CD2 3.44Å; T516-L667 HydrophobicContact CG2-CD2 3.87Å; T516-L667 WeakPolarHBondContact OG1-CD2 3.46Å
517I92.4Very high87.9Confident45 Ų4525.1 Ų25.123%0.23113%0.125CC..EExtended strand (participates in β ladder)trans-93.7128.2-175.6-55.3174.8000109.8I471 H472 F510 Y511 I512 L608I471-I517 HydrophobicContact CG1-CG2 4.38Å; I471-I517 HydrophobicContact CG2-CG2 4.26Å; H472-I517 PolarHBondContact N-O 2.99Å; F510-I517 HydrophobicContact CB-CG2 4.18Å; F510-I517 HydrophobicContact CD1-CG2 3.78Å; F510-I517 HydrophobicContact CG-CG2 4.21Å; Y511-I517 CarbonylContact O-C 3.59Å; Y511-I517 WeakPolarHBondContact O-CA 3.3Å; I512-I517 HydrophobicContact CG1-CG1 4.45Å; I517-L608 HydrophobicContact CD1-CD2 4.04Å; I517-L608 HydrophobicContact CG2-CD2 4.18Å
518F93.7Very high86.4Confident4 Ų429.1 Ų29.12%0.01814%0.144CC..EExtended strand (participates in β ladder)trans-117.4144.2175.6-68.2-97.2000110.9H472 Q474 F510 Y511 I513 T516 F520H472-F518 HydrophobicContact CB-CD1 3.64Å; H472-F518 HydrophobicContact CB-CE1 3.67Å; H472-F518 HydrophobicContact CB-CG 4.36Å; H472-F518 HydrophobicContact CB-CZ 4.41Å; H472-F518 CarbonylContact O-C 3.55Å; H472-F518 VanDerWaalsContact O-CA 3.24Å; H472-F518 WeakPolarHBondContact O-CA 3.48Å; Q474-F518 HydrophobicContact CG-CD1 4.17Å; Q474-F518 HydrophobicContact CG-CE1 4.45Å; F510-F518 WeakPolarHBondContact CA-O 3.24Å; Y511-F518 PolarHBondContact N-O 3.09Å; Y511-F518 PolarHBondContact O-N 3.39Å; I513-F518 HydrophobicContact CB-CD2 4.02Å; I513-F518 HydrophobicContact CB-CE2 3.93Å; I513-F518 HydrophobicContact CD1-CB 4.48Å; I513-F518 HydrophobicContact CD1-CD2 3.75Å; I513-F518 HydrophobicContact CD1-CE2 4.18Å; I513-F518 HydrophobicContact CD1-CG 4.14Å; I513-F518 HydrophobicContact CG1-CD2 4.24Å; T516-F518 HydrophobicContact CG2-CD2 4.45Å; T516-F518 HydrophobicContact CG2-CE2 3.82Å; T516-F518 HydrophobicContact CG2-CZ 4.22Å; T516-F518 WeakPolarHBondContact O-CD2 3.44Å; F518-F520 HydrophobicContact CB-CE2 3.81Å; F518-F520 HydrophobicContact CB-CZ 4.02Å
519A94.4Very high84.9Confident1 Ų132.1 Ų32.11%0.00816%0.158CC..EExtended strand (participates in β ladder)trans-124.1146165.700000108.9I471 H472 V473 Q474 F510I471-A519 HydrophobicContact CG2-CB 4.34Å; H472-A519 PolarHBondContact O-N 3.35Å; V473-A519 VanDerWaalsContact CA-O 3.3Å; V473-A519 WeakPolarHBondContact CA-O 3.45Å; V473-A519 HydrophobicContact CG2-CB 4.22Å; Q474-A519 PolarHBondContact N-O 2.97Å; F510-A519 HydrophobicContact CD1-CB 3.97Å; F510-A519 HydrophobicContact CE1-CB 3.89Å
520F93.1Very high84.2Confident1 Ų131.7 Ų31.70%0.00416%0.156CC..EExtended strand (participates in β ladder)trans-116.8138.2-177.3-64.6-87.9000111.7Q474 V478 L479 I482 T507 Y511 F518Q474-F520 HydrophobicContact CB-CD1 3.81Å; Q474-F520 HydrophobicContact CB-CE1 3.65Å; Q474-F520 CarbonylContact O-C 3.53Å; Q474-F520 WeakPolarHBondContact O-CA 3.36Å; V478-F520 HydrophobicContact CB-CE1 4.22Å; V478-F520 HydrophobicContact CG1-CE1 4.32Å; L479-F520 HydrophobicContact CB-CD1 3.74Å; L479-F520 HydrophobicContact CB-CD2 4.29Å; L479-F520 HydrophobicContact CB-CE1 3.71Å; L479-F520 HydrophobicContact CB-CE2 4.28Å; L479-F520 HydrophobicContact CB-CG 4.03Å; L479-F520 HydrophobicContact CB-CZ 4Å; L479-F520 HydrophobicContact CD1-CD2 4.09Å; L479-F520 HydrophobicContact CD1-CE1 4.37Å; L479-F520 HydrophobicContact CD1-CE2 3.61Å; L479-F520 HydrophobicContact CD1-CZ 3.76Å; L479-F520 HydrophobicContact CD2-CB 4.45Å; L479-F520 HydrophobicContact CD2-CD2 3.87Å; L479-F520 HydrophobicContact CD2-CE2 4.27Å; L479-F520 HydrophobicContact CD2-CG 4.04Å; L479-F520 HydrophobicContact CG-CD2 4.28Å; L479-F520 HydrophobicContact CG-CE2 4.24Å; L479-F520 HydrophobicContact CG-CG 4.46Å; L479-F520 HydrophobicContact CG-CZ 4.35Å; I482-F520 HydrophobicContact CD1-CZ 4.19Å; T507-F520 HydrophobicContact CG2-CB 4.3Å; Y511-F520 AromaticContact CD2-CD2 3.51Å; Y511-F520 HydrophobicContact CD2-CD2 3.51Å; Y511-F520 AromaticContact CD2-CE2 3.53Å; Y511-F520 HydrophobicContact CD2-CE2 3.53Å; Y511-F520 AromaticContact CE2-CD2 3.85Å; Y511-F520 HydrophobicContact CE2-CD2 3.85Å; Y511-F520 HydrophobicContact CE2-CE2 4.16Å; Y511-F520 HydrophobicContact CG-CD2 4.38Å; Y511-F520 AromaticContact CG-CE2 3.94Å; Y511-F520 HydrophobicContact CG-CE2 3.94Å; F518-F520 HydrophobicContact CB-CE2 3.81Å; F518-F520 HydrophobicContact CB-CZ 4.02Å
521T91.6Very high83.7Confident17 Ų1731.6 Ų31.610%0.10416%0.155CC..EExtended strand (participates in β ladder)trans-75.8144.7176.164.80000110V473 Q474 T563 P565V473-T521 HydrophobicContact CG1-CG2 3.66Å; Q474-T521 PolarHBondContact O-N 2.85Å; T521-T563 HydrophobicContact CG2-CG2 4.49Å; T521-P565 HydrophobicContact CG2-CG 3.88Å
522P89.4Confident83.3Confident3 Ų332.4 Ų32.42%0.01916%0.159CC..  trans-54.4146.6171.9-2634000112.1F524 I525 V562 T563P522-F524 VanDerWaalsContact C-N 3.34Å; P522-F524 HydrophobicContact CB-CD1 3.65Å; P522-F524 HydrophobicContact CB-CE1 3.34Å; P522-F524 HydrophobicContact CB-CZ 4.06Å; P522-F524 HydrophobicContact CG-CE1 4.04Å; P522-F524 HydrophobicContact CG-CZ 4.45Å; P522-F524 PolarHBondContact O-N 3.46Å; P522-I525 HydrophobicContact CB-CD1 4.38Å; P522-I525 HydrophobicContact CG-CD1 4.32Å; P522-I525 PolarHBondContact O-N 2.9Å; P522-V562 HydrophobicContact CG-CG1 3.78Å; P522-T563 WeakPolarHBondContact CD-O 3.49Å
523Q82.8Confident82.9Confident16 Ų1630.6 Ų30.68%0.07515%0.151CC..G310 helixtrans-62.4-38.1-174.8-175.1-177.6-2400113.1I525 D526 E836Q523-I525 PolarHBondContact O-N 3.48Å; Q523-D526 PolarHBondContact O-N 2.8Å; Q523-E836 WeakPolarHBondContact CG-OE2 3.27Å; Q523-E836 PolarHBondContact NE2-OE2 3.02Å
524F83Confident82.8Confident19 Ų1931.5 Ų31.58%0.08316%0.156CC..G310 helixtrans-64.1-6.8-175.168.5-97.6000115.8P522 A533 I539 M542 L543 E546 F564P522-F524 VanDerWaalsContact C-N 3.34Å; P522-F524 HydrophobicContact CB-CD1 3.65Å; P522-F524 HydrophobicContact CB-CE1 3.34Å; P522-F524 HydrophobicContact CB-CZ 4.06Å; P522-F524 HydrophobicContact CG-CE1 4.04Å; P522-F524 HydrophobicContact CG-CZ 4.45Å; P522-F524 PolarHBondContact O-N 3.46Å; F524-A533 WeakPolarHBondContact O-CB 3.3Å; F524-I539 HydrophobicContact CD2-CG2 4.44Å; F524-I539 HydrophobicContact CE2-CG2 4.03Å; F524-M542 HydrophobicContact CB-CB 4.37Å; F524-M542 HydrophobicContact CB-CE 3.28Å; F524-M542 HydrophobicContact CB-SD 3.88Å; F524-M542 HydrophobicContact CD1-CB 4.47Å; F524-M542 HydrophobicContact CD2-CB 3.81Å; F524-M542 HydrophobicContact CD2-SD 4.42Å; F524-M542 HydrophobicContact CE2-CB 4.19Å; F524-M542 HydrophobicContact CG-CB 3.98Å; F524-M542 HydrophobicContact CG-CE 4.2Å; F524-M542 HydrophobicContact CG-SD 4.43Å; F524-L543 HydrophobicContact CE2-CB 4.21Å; F524-L543 HydrophobicContact CZ-CB 3.87Å; F524-L543 HydrophobicContact CZ-CD1 4.01Å; F524-E546 HydrophobicContact CD1-CG 4Å; F524-E546 HydrophobicContact CE1-CB 4.27Å; F524-E546 HydrophobicContact CE1-CG 3.87Å; F524-F564 HydrophobicContact CE2-CE2 4.07Å; F524-F564 HydrophobicContact CZ-CE2 4.25Å
525I80.1Confident83.2Confident17 Ų1728.6 Ų28.69%0.08715%0.146CC..G310 helixtrans-92-14.4179.2-57173.7000111.2P522 Q523 H527 F564 P565 M570P522-I525 HydrophobicContact CB-CD1 4.38Å; P522-I525 HydrophobicContact CG-CD1 4.32Å; P522-I525 PolarHBondContact O-N 2.9Å; Q523-I525 PolarHBondContact O-N 3.48Å; I525-H527 PolarHBondContact O-N 2.89Å; I525-F564 HydrophobicContact CD1-CD2 3.36Å; I525-F564 HydrophobicContact CD1-CE2 3.5Å; I525-F564 VanDerWaalsContact CD1-CE2 3.5Å; I525-F564 HydrophobicContact CD1-CG 4.41Å; I525-F564 HydrophobicContact CG1-CD2 4.43Å; I525-F564 HydrophobicContact CG1-CE2 4.12Å; I525-P565 HydrophobicContact CD1-CG 4.47Å; I525-P565 HydrophobicContact CG2-CG 4.15Å; I525-M570 HydrophobicContact CG2-CE 4.35Å
526D71.3Confident83.5Confident22 Ų2221.5 Ų21.512%0.11811%0.108CC..  trans-76.391.3-179.4-163.9-11.1000111.2R477 Q523 Q528R477-D526 IonicContact CZ-OD2 3.19Å; R477-D526 IonicContact NE-OD2 3.88Å; R477-D526 IonicContact NH1-OD1 3.77Å; R477-D526 PolarHBondContact NH1-OD1 2.97Å; R477-D526 IonicContact NH1-OD2 2.65Å; R477-D526 PolarHBondContact NH1-OD2 3.18Å; Q523-D526 PolarHBondContact O-N 2.8Å; D526-Q528 PolarHBondContact O-N 3.29Å; D526-Q528 WeakPolarHBondContact OD1-CB 3.32Å; D526-Q528 WeakPolarHBondContact OD1-CG 3.44Å; D526-Q528 PolarHBondContact OD1-N 3.26Å
527H67.8Low83.6Confident66 Ų6625.9 Ų25.931%0.30612%0.124SC..THydrogen-bonded Turntrans-73.3-8.3179.759.2-88000113.8I525 Q529 A533 L534I525-H527 PolarHBondContact O-N 2.89Å; H527-Q529 VanDerWaalsContact C-N 3.28Å; H527-Q529 PolarHBondContact O-N 3Å; H527-A533 HydrophobicContact CB-CB 4.01Å; H527-L534 HydrophobicContact CB-CD2 4.39Å
528Q63.1Low83.5Confident85 Ų8523.8 Ų23.840%0.39711%0.114SC..THydrogen-bonded Turntrans-69.5-25.7-174.3-59.4-164.8-45.900112.8R477 D526R477-Q528 VanDerWaalsContact CZ-OE1 3.32Å; D526-Q528 PolarHBondContact O-N 3.29Å; D526-Q528 WeakPolarHBondContact OD1-CB 3.32Å; D526-Q528 WeakPolarHBondContact OD1-CG 3.44Å; D526-Q528 PolarHBondContact OD1-N 3.26Å
529Q64Low83.3Confident65 Ų6523.7 Ų23.730%0.30411%0.113SC..THydrogen-bonded Turntrans-91.7-45.6179-53.8-164.14.700111.9H527 K833 E836H527-Q529 VanDerWaalsContact C-N 3.28Å; H527-Q529 PolarHBondContact O-N 3Å; Q529-K833 PolarHBondContact O-NZ 2.87Å; Q529-E836 HydrophobicContact CB-CG 3.96Å; Q529-E836 WeakPolarHBondContact CB-OE1 3.21Å; Q529-E836 WeakPolarHBondContact CG-OE1 3.4Å; Q529-E836 PolarHBondContact OE1-OE1 3.06Å
530F79.3Confident83.2Confident7 Ų724.1 Ų24.13%0.03112%0.116CC..  trans-147.6149.1-171.1-156.1-91.7000113.5L532 K833 K834 V835 I890F530-L532 HydrophobicContact CD1-CB 4.34Å; F530-L532 HydrophobicContact CD1-CD1 4.15Å; F530-L532 HydrophobicContact CD1-CG 3.67Å; F530-L532 HydrophobicContact CE1-CD1 4.3Å; F530-L532 HydrophobicContact CE1-CD2 4.3Å; F530-L532 HydrophobicContact CE1-CG 3.78Å; F530-L532 PolarHBondContact O-N 2.78Å; F530-K833 HydrophobicContact CD2-CB 4.24Å; F530-K833 HydrophobicContact CE2-CB 4.37Å; F530-K834 WeakPolarHBondContact CD2-O 3.38Å; F530-V835 HydrophobicContact CD1-CG2 4.16Å; F530-V835 HydrophobicContact CD2-CG2 4.17Å; F530-V835 HydrophobicContact CE1-CG2 3.66Å; F530-V835 HydrophobicContact CE2-CB 4.47Å; F530-V835 HydrophobicContact CE2-CG2 3.64Å; F530-V835 HydrophobicContact CG-CG2 4.41Å; F530-V835 HydrophobicContact CZ-CB 4.49Å; F530-V835 HydrophobicContact CZ-CG2 3.37Å; F530-I890 HydrophobicContact CZ-CG2 4.14Å
531Y84.4Confident82.9Confident0 Ų026.3 Ų26.30%013%0.126CC..G310 helixtrans-81.2-0.7-16659-93.7000115.8A533 L534 Y812 W821 I824 R825 S828 I890 E894 P949Y531-A533 PolarHBondContact O-N 3.29Å; Y531-A533 VanDerWaalsContact O-N 3.15Å; Y531-L534 WeakPolarHBondContact O-CB 3.32Å; Y531-L534 PolarHBondContact O-N 2.86Å; Y531-Y812 WeakPolarHBondContact CB-OH 3.41Å; Y531-Y812 HydrophobicContact CD1-CE2 4.22Å; Y531-Y812 PolarHBondContact N-OH 3.01Å; Y531-W821 HydrophobicContact CD2-CE3 4.4Å; Y531-W821 HydrophobicContact CD2-CZ3 4.35Å; Y531-I824 HydrophobicContact CD1-CG2 3.39Å; Y531-I824 HydrophobicContact CD2-CG2 3.86Å; Y531-I824 HydrophobicContact CE1-CG2 3.96Å; Y531-I824 HydrophobicContact CE2-CG2 4.4Å; Y531-I824 HydrophobicContact CG-CG2 3.33Å; Y531-R825 WeakPolarHBondContact OH-CG 3.28Å; Y531-S828 WeakPolarHBondContact CD1-OG 3.49Å; Y531-S828 WeakPolarHBondContact CE1-OG 3.47Å; Y531-I890 HydrophobicContact CE1-CG2 4.13Å; Y531-I890 WeakPolarHBondContact OH-CG2 3.46Å; Y531-E894 PolarHBondContact OH-OE1 3.13Å; Y531-P949 HydrophobicContact CD2-CG 4.43Å; Y531-P949 HydrophobicContact CE2-CG 4.36Å
532L85.4Confident82.8Confident16 Ų1626.3 Ų26.38%0.08413%0.125CC..G310 helixtrans-57.1-33-179-71.4176000112F530 L534 D535 V835 E894 Y898 P949F530-L532 HydrophobicContact CD1-CB 4.34Å; F530-L532 HydrophobicContact CD1-CD1 4.15Å; F530-L532 HydrophobicContact CD1-CG 3.67Å; F530-L532 HydrophobicContact CE1-CD1 4.3Å; F530-L532 HydrophobicContact CE1-CD2 4.3Å; F530-L532 HydrophobicContact CE1-CG 3.78Å; F530-L532 PolarHBondContact O-N 2.78Å; L532-L534 PolarHBondContact O-N 3.49Å; L532-D535 PolarHBondContact O-N 3Å; L532-V835 HydrophobicContact CD1-CG1 4.09Å; L532-E894 HydrophobicContact CD2-CG 4.38Å; L532-Y898 HydrophobicContact CD2-CE1 4.24Å; L532-Y898 WeakPolarHBondContact CD2-OH 3.45Å; L532-P949 HydrophobicContact CD2-CB 3.73Å; L532-P949 HydrophobicContact CD2-CG 3.98Å
533A82Confident82.9Confident5 Ų526.2 Ų26.24%0.04113%0.125CC..G310 helixtrans-74.80.7177.300000114.3F524 H527 Y531 I539F524-A533 WeakPolarHBondContact O-CB 3.3Å; H527-A533 HydrophobicContact CB-CB 4.01Å; Y531-A533 PolarHBondContact O-N 3.29Å; Y531-A533 VanDerWaalsContact O-N 3.15Å; A533-I539 HydrophobicContact CB-CG1 4.43Å; A533-I539 WeakPolarHBondContact O-CD1 3.49Å
534L85.9Confident83.3Confident22 Ų2229.2 Ų29.212%0.11514%0.135CC..G310 helixtrans-85.7-18.5172.3-59.7-179000112.5H527 Y531 L532 T569 W821H527-L534 HydrophobicContact CB-CD2 4.39Å; Y531-L534 WeakPolarHBondContact O-CB 3.32Å; Y531-L534 PolarHBondContact O-N 2.86Å; L532-L534 PolarHBondContact O-N 3.49Å; L534-T569 HydrophobicContact CD2-CG2 4.45Å; L534-W821 HydrophobicContact CB-CH2 4.03Å; L534-W821 HydrophobicContact CB-CZ3 4.15Å
535D90.3Very high83.6Confident11 Ų1129.2 Ų29.26%0.05914%0.136CC..  trans-89.3104.3173.9-177.3-12.2000109.9L532 K537 M538 I539 W821 S948 P949 S950L532-D535 PolarHBondContact O-N 3Å; D535-K537 PolarHBondContact O-N 3.38Å; D535-K537 WeakPolarHBondContact OD1-CB 3.2Å; D535-K537 PolarHBondContact OD1-N 3.36Å; D535-M538 HydrophobicContact CB-CB 3.81Å; D535-M538 WeakPolarHBondContact O-CA 3.27Å; D535-M538 WeakPolarHBondContact O-CB 3.5Å; D535-M538 PolarHBondContact O-N 3.47Å; D535-M538 PolarHBondContact OD1-N 3.42Å; D535-I539 PolarHBondContact O-N 2.69Å; D535-W821 HydrophobicContact CB-CH2 3.8Å; D535-W821 HydrophobicContact CB-CZ2 4.15Å; D535-S948 WeakPolarHBondContact OD2-CB 3.27Å; D535-S948 PolarHBondContact OD2-OG 2.99Å; D535-P949 HydrophobicContact CB-CB 4.25Å; D535-P949 HydrophobicContact CB-CG 4.07Å; D535-S950 PolarHBondContact OD1-OG 2.78Å; D535-S950 WeakPolarHBondContact OD2-CB 3.44Å; D535-S950 PolarHBondContact OD2-N 3.13Å; D535-S950 PolarHBondContact OD2-OG 3.17Å
536N90.4Very high84Confident2 Ų229.4 Ų29.41%0.01114%0.137CC..Hα-helixtrans-55.4-33.7179.8-70.5-26.2000113.3V540 T569 M570 D579 V582N536-V540 WeakPolarHBondContact O-CB 3.05Å; N536-V540 VanDerWaalsContact O-CG2 3.3Å; N536-V540 WeakPolarHBondContact O-CG2 3.43Å; N536-V540 PolarHBondContact O-N 2.61Å; N536-V540 VanDerWaalsContact O-N 3.14Å; N536-T569 PolarHBondContact ND2-O 3.29Å; N536-T569 PolarHBondContact OD1-O 3.46Å; N536-M570 WeakPolarHBondContact OD1-CA 3.46Å; N536-D579 HydrophobicContact CB-CB 4.28Å; N536-D579 WeakPolarHBondContact ND2-CB 3.47Å; N536-D579 PolarHBondContact ND2-OD2 3.42Å; N536-V582 HydrophobicContact CB-CG2 4.08Å
537K91.7Very high85Confident119 Ų11928.4 Ų28.452%0.51713%0.131SC..Hα-helixtrans-70.7-36.4175.6-65.9175.7-175.9166.40111D535 E541 A581D535-K537 PolarHBondContact O-N 3.38Å; D535-K537 WeakPolarHBondContact OD1-CB 3.2Å; D535-K537 PolarHBondContact OD1-N 3.36Å; K537-E541 WeakPolarHBondContact O-CB 3.37Å; K537-E541 PolarHBondContact O-N 2.93Å; K537-E541 VanDerWaalsContact O-N 3.07Å; K537-A581 HydrophobicContact CG-CB 4.14Å
538M89.5Confident86Confident1 Ų126.8 Ų26.81%0.00513%0.129CC..Hα-helixtrans-65.7-46.7174.6-176.461.892.400111.1D535 V540 E541 M542 Y898 P949 K953D535-M538 HydrophobicContact CB-CB 3.81Å; D535-M538 WeakPolarHBondContact O-CA 3.27Å; D535-M538 WeakPolarHBondContact O-CB 3.5Å; D535-M538 PolarHBondContact O-N 3.47Å; D535-M538 PolarHBondContact OD1-N 3.42Å; M538-V540 VanDerWaalsContact C-N 3.32Å; M538-V540 PolarHBondContact O-N 3.3Å; M538-E541 CarbonylContact O-C 3.57Å; M538-E541 WeakPolarHBondContact O-CB 3.33Å; M538-E541 PolarHBondContact O-N 3.41Å; M538-E541 VanDerWaalsContact O-N 3.09Å; M538-M542 HydrophobicContact CG-CG 4.22Å; M538-M542 HydrophobicContact CG-SD 3.94Å; M538-M542 VanDerWaalsContact O-CG 3.31Å; M538-M542 WeakPolarHBondContact O-CG 3.24Å; M538-M542 PolarHBondContact O-N 3.21Å; M538-M542 HydrophobicContact SD-CG 4.18Å; M538-M542 HydrophobicContact SD-SD 4.45Å; M538-Y898 HydrophobicContact CE-CD1 4.15Å; M538-Y898 HydrophobicContact CE-CE1 3.31Å; M538-P949 HydrophobicContact CB-CB 4.33Å; M538-P949 VanDerWaalsContact CE-C 3.45Å; M538-P949 HydrophobicContact CE-CB 3.6Å; M538-P949 VanDerWaalsContact CE-O 3.32Å; M538-P949 WeakPolarHBondContact CE-O 3.37Å; M538-P949 HydrophobicContact CG-CB 4.34Å; M538-K953 HydrophobicContact CE-CB 4.21Å; M538-K953 HydrophobicContact CE-CD 4.23Å; M538-K953 HydrophobicContact SD-CD 4.24Å
539I90.3Very high87.2Confident2 Ų224.2 Ų24.21%0.0112%0.116CC..Hα-helixtrans-55.6-48.6177.2-63.6167000111F524 A533 D535 E541 M542 L543 F564 M570F524-I539 HydrophobicContact CD2-CG2 4.44Å; F524-I539 HydrophobicContact CE2-CG2 4.03Å; A533-I539 HydrophobicContact CB-CG1 4.43Å; A533-I539 WeakPolarHBondContact O-CD1 3.49Å; D535-I539 PolarHBondContact O-N 2.69Å; I539-E541 VanDerWaalsContact C-N 3.28Å; I539-E541 PolarHBondContact O-N 2.78Å; I539-M542 PolarHBondContact O-N 2.86Å; I539-L543 WeakPolarHBondContact O-CB 3.47Å; I539-L543 PolarHBondContact O-N 3.36Å; I539-F564 HydrophobicContact CG2-CE2 4.06Å; I539-F564 HydrophobicContact CG2-CZ 3.88Å; I539-M570 HydrophobicContact CD1-CE 3.96Å; I539-M570 HydrophobicContact CD1-CG 4.44Å; I539-M570 HydrophobicContact CG2-CE 4.13Å
540V91.5Very high88.5Confident10 Ų1021.1 Ų21.16%0.06110%0.101CC..Hα-helixtrans-58.1-42.3177.9159.30000111.4N536 M538 R544 V582 T585 Y594N536-V540 WeakPolarHBondContact O-CB 3.05Å; N536-V540 VanDerWaalsContact O-CG2 3.3Å; N536-V540 WeakPolarHBondContact O-CG2 3.43Å; N536-V540 PolarHBondContact O-N 2.61Å; N536-V540 VanDerWaalsContact O-N 3.14Å; M538-V540 VanDerWaalsContact C-N 3.32Å; M538-V540 PolarHBondContact O-N 3.3Å; V540-R544 PolarHBondContact O-N 3.5Å; V540-V582 HydrophobicContact CG2-CG2 4.3Å; V540-T585 HydrophobicContact CG1-CG2 4.17Å; V540-T585 WeakPolarHBondContact CG1-OG1 3.45Å; V540-T585 HydrophobicContact CG2-CG2 4.26Å; V540-T585 WeakPolarHBondContact CG2-OG1 3.49Å; V540-Y594 WeakPolarHBondContact CG1-OH 3.37Å; V540-Y594 PolarHBondContact O-OH 2.77Å
541E88.2Confident89Confident48 Ų4821.9 Ų21.922%0.22411%0.109CC..Hα-helixtrans-70.7-38.6179.3-168.566.2-159.800112.3K537 M538 I539 R544 N545 K953K537-E541 WeakPolarHBondContact O-CB 3.37Å; K537-E541 PolarHBondContact O-N 2.93Å; K537-E541 VanDerWaalsContact O-N 3.07Å; M538-E541 CarbonylContact O-C 3.57Å; M538-E541 WeakPolarHBondContact O-CB 3.33Å; M538-E541 PolarHBondContact O-N 3.41Å; M538-E541 VanDerWaalsContact O-N 3.09Å; I539-E541 VanDerWaalsContact C-N 3.28Å; I539-E541 PolarHBondContact O-N 2.78Å; E541-R544 WeakPolarHBondContact O-CB 3.22Å; E541-R544 PolarHBondContact O-N 3.43Å; E541-R544 IonicContact OE1-NH1 3.37Å; E541-R544 PolarHBondContact OE1-NH1 3.32Å; E541-R544 IonicContact OE2-CZ 2.81Å; E541-R544 IonicContact OE2-NE 3.81Å; E541-R544 IonicContact OE2-NH1 3.37Å; E541-R544 PolarHBondContact OE2-NH1 2.89Å; E541-R544 IonicContact OE2-NH2 2.59Å; E541-R544 PolarHBondContact OE2-NH2 3.27Å; E541-N545 PolarHBondContact O-N 2.85Å; E541-K953 IonicContact OE1-NZ 2.66Å
542M88.9Confident89Confident17 Ų1724.7 Ų24.78%0.08413%0.129CC..Hα-helixtrans-62.7-47.8172.8-68.1178.587.100110.2F524 M538 I539 R544 N545 E546 M901F524-M542 HydrophobicContact CB-CB 4.37Å; F524-M542 HydrophobicContact CB-CE 3.28Å; F524-M542 HydrophobicContact CB-SD 3.88Å; F524-M542 HydrophobicContact CD1-CB 4.47Å; F524-M542 HydrophobicContact CD2-CB 3.81Å; F524-M542 HydrophobicContact CD2-SD 4.42Å; F524-M542 HydrophobicContact CE2-CB 4.19Å; F524-M542 HydrophobicContact CG-CB 3.98Å; F524-M542 HydrophobicContact CG-CE 4.2Å; F524-M542 HydrophobicContact CG-SD 4.43Å; M538-M542 HydrophobicContact CG-CG 4.22Å; M538-M542 HydrophobicContact CG-SD 3.94Å; M538-M542 VanDerWaalsContact O-CG 3.31Å; M538-M542 WeakPolarHBondContact O-CG 3.24Å; M538-M542 PolarHBondContact O-N 3.21Å; M538-M542 HydrophobicContact SD-CG 4.18Å; M538-M542 HydrophobicContact SD-SD 4.45Å; I539-M542 PolarHBondContact O-N 2.86Å; M542-R544 VanDerWaalsContact C-N 3.27Å; M542-R544 PolarHBondContact O-N 2.99Å; M542-N545 PolarHBondContact O-N 3.04Å; M542-N545 VanDerWaalsContact O-N 3.12Å; M542-E546 WeakPolarHBondContact O-CB 3.28Å; M542-E546 VanDerWaalsContact O-CG 3.31Å; M542-E546 WeakPolarHBondContact O-CG 3.43Å; M542-E546 PolarHBondContact O-N 2.81Å; M542-M901 HydrophobicContact CG-CE 3.93Å
543L91.6Very high89.1Confident1 Ų127.3 Ų27.31%0.00514%0.138CC..Hα-helixtrans-56.2-41.8174.4179.664.1000111.9F524 I539 E546 I547 V562 F564 T585 L589F524-L543 HydrophobicContact CE2-CB 4.21Å; F524-L543 HydrophobicContact CZ-CB 3.87Å; F524-L543 HydrophobicContact CZ-CD1 4.01Å; I539-L543 WeakPolarHBondContact O-CB 3.47Å; I539-L543 PolarHBondContact O-N 3.36Å; L543-E546 PolarHBondContact O-N 3.43Å; L543-I547 HydrophobicContact CD1-CD1 3.8Å; L543-I547 HydrophobicContact CD1-CG1 4.14Å; L543-I547 HydrophobicContact CG-CD1 3.85Å; L543-I547 WeakPolarHBondContact O-CB 3.15Å; L543-I547 VanDerWaalsContact O-CG1 3.31Å; L543-I547 WeakPolarHBondContact O-CG1 3.44Å; L543-I547 PolarHBondContact O-N 3.35Å; L543-V562 HydrophobicContact CD1-CG1 4.32Å; L543-F564 HydrophobicContact CB-CE2 4.48Å; L543-F564 HydrophobicContact CD1-CD2 3.98Å; L543-F564 HydrophobicContact CD1-CE2 4.3Å; L543-F564 HydrophobicContact CD2-CD1 4.33Å; L543-F564 HydrophobicContact CD2-CD2 4.07Å; L543-F564 HydrophobicContact CD2-CE1 4.16Å; L543-F564 HydrophobicContact CD2-CE2 3.93Å; L543-F564 HydrophobicContact CD2-CG 4.3Å; L543-F564 HydrophobicContact CD2-CZ 3.98Å; L543-F564 HydrophobicContact CG-CE2 4.47Å; L543-T585 HydrophobicContact CD2-CG2 4.28Å; L543-L589 HydrophobicContact CD2-CD1 4.14Å
544R91.1Very high89.5Confident78 Ų7827.4 Ų27.429%0.29414%0.137SC..Hα-helixtrans-60.2-48.7176-170.2-173-62.4147.414.3112.1V540 E541 M542 I547 A548 Y594V540-R544 PolarHBondContact O-N 3.5Å; E541-R544 WeakPolarHBondContact O-CB 3.22Å; E541-R544 PolarHBondContact O-N 3.43Å; E541-R544 IonicContact OE1-NH1 3.37Å; E541-R544 PolarHBondContact OE1-NH1 3.32Å; E541-R544 IonicContact OE2-CZ 2.81Å; E541-R544 IonicContact OE2-NE 3.81Å; E541-R544 IonicContact OE2-NH1 3.37Å; E541-R544 PolarHBondContact OE2-NH1 2.89Å; E541-R544 IonicContact OE2-NH2 2.59Å; E541-R544 PolarHBondContact OE2-NH2 3.27Å; M542-R544 VanDerWaalsContact C-N 3.27Å; M542-R544 PolarHBondContact O-N 2.99Å; R544-I547 PolarHBondContact O-N 3.09Å; R544-A548 WeakPolarHBondContact O-CB 3.38Å; R544-A548 PolarHBondContact O-N 3.41Å; R544-Y594 VanDerWaalsContact CA-CE1 3.4Å; R544-Y594 HydrophobicContact CB-CD1 4.38Å; R544-Y594 HydrophobicContact CB-CE1 3.53Å; R544-Y594 HydrophobicContact CG-CD1 4.33Å; R544-Y594 HydrophobicContact CG-CE1 3.85Å
545N87.8Confident89.2Confident20 Ų2030.4 Ų30.411%0.10715%0.147CC..Hα-helixtrans-63.4-43.3179.9-77.4-9.2000111.6E541 M542 A548 Y549E541-N545 PolarHBondContact O-N 2.85Å; M542-N545 PolarHBondContact O-N 3.04Å; M542-N545 VanDerWaalsContact O-N 3.12Å; N545-A548 PolarHBondContact O-N 2.69Å; N545-Y549 VanDerWaalsContact O-CB 3.27Å; N545-Y549 WeakPolarHBondContact O-CB 3.46Å; N545-Y549 PolarHBondContact O-N 2.81Å
546E88.9Confident89Confident21 Ų2132.2 Ų32.210%0.09816%0.156CC..Hα-helixtrans-68.1-39.4180-68.3-49.4126.800111.9V504 F524 M542 L543 Y549 L550 R904V504-E546 WeakPolarHBondContact CB-OE2 3.1Å; V504-E546 WeakPolarHBondContact CG1-OE2 3.21Å; V504-E546 HydrophobicContact CG2-CB 4.15Å; F524-E546 HydrophobicContact CD1-CG 4Å; F524-E546 HydrophobicContact CE1-CB 4.27Å; F524-E546 HydrophobicContact CE1-CG 3.87Å; M542-E546 WeakPolarHBondContact O-CB 3.28Å; M542-E546 VanDerWaalsContact O-CG 3.31Å; M542-E546 WeakPolarHBondContact O-CG 3.43Å; M542-E546 PolarHBondContact O-N 2.81Å; L543-E546 PolarHBondContact O-N 3.43Å; E546-Y549 PolarHBondContact O-N 2.84Å; E546-L550 WeakPolarHBondContact O-CB 3.39Å; E546-L550 VanDerWaalsContact O-CG 3.29Å; E546-L550 WeakPolarHBondContact O-CG 3.45Å; E546-L550 PolarHBondContact O-N 2.83Å; E546-R904 IonicContact OE1-NH1 2.68Å; E546-R904 IonicContact OE1-NH2 3.12Å
547I92.6Very high88.9Confident1 Ų138.4 Ų38.41%0.00519%0.194CC..Hα-helixtrans-63.1-43.9172.5-74.3171.8000111.4V440 V442 L543 R544 Y549 L550 A551 L589 Y594 A597 T599V440-I547 HydrophobicContact CB-CG2 4.33Å; V440-I547 HydrophobicContact CG1-CG1 4.3Å; V440-I547 HydrophobicContact CG1-CG2 4.47Å; V440-I547 HydrophobicContact CG2-CG2 4.3Å; V442-I547 HydrophobicContact CG2-CD1 4.02Å; L543-I547 HydrophobicContact CD1-CD1 3.8Å; L543-I547 HydrophobicContact CD1-CG1 4.14Å; L543-I547 HydrophobicContact CG-CD1 3.85Å; L543-I547 WeakPolarHBondContact O-CB 3.15Å; L543-I547 VanDerWaalsContact O-CG1 3.31Å; L543-I547 WeakPolarHBondContact O-CG1 3.44Å; L543-I547 PolarHBondContact O-N 3.35Å; R544-I547 PolarHBondContact O-N 3.09Å; I547-Y549 VanDerWaalsContact C-N 3.3Å; I547-Y549 PolarHBondContact O-N 2.7Å; I547-L550 PolarHBondContact O-N 3.33Å; I547-A551 WeakPolarHBondContact O-CB 3.37Å; I547-A551 PolarHBondContact O-N 3.15Å; I547-L589 HydrophobicContact CD1-CD2 3.73Å; I547-Y594 HydrophobicContact CD1-CD1 3.8Å; I547-Y594 HydrophobicContact CD1-CE1 4.36Å; I547-A597 HydrophobicContact CG2-CB 3.83Å; I547-T599 HydrophobicContact CD1-CG2 4.5Å; I547-T599 HydrophobicContact CG2-CG2 3.75Å
548A89.8Confident88.8Confident31 Ų3134.3 Ų34.326%0.25619%0.185SC..Hα-helixtrans-62.6-40.1175.800000111.7R544 N545 A551 S552 G595R544-A548 WeakPolarHBondContact O-CB 3.38Å; R544-A548 PolarHBondContact O-N 3.41Å; N545-A548 PolarHBondContact O-N 2.69Å; A548-A551 PolarHBondContact O-N 3.25Å; A548-S552 WeakPolarHBondContact O-CB 3.49Å; A548-S552 PolarHBondContact O-N 3.42Å; A548-S552 PolarHBondContact O-OG 3.08Å; A548-G595 VanDerWaalsContact CB-O 3.23Å; A548-G595 WeakPolarHBondContact CB-O 2.99Å
549Y87.4Confident89Confident31 Ų3138.9 Ų38.912%0.12220%0.203CC..Hα-helixtrans-64.4-49.1176.7-176.1-101.2000111.2Q236 V504 L505 N545 E546 I547 A551 S552 R553Q236-Y549 WeakPolarHBondContact CG-OH 3.48Å; V504-Y549 HydrophobicContact CG1-CD1 3.66Å; V504-Y549 HydrophobicContact CG1-CE1 4.08Å; L505-Y549 HydrophobicContact CD1-CE1 3.95Å; L505-Y549 HydrophobicContact CD2-CE1 4.46Å; L505-Y549 HydrophobicContact CG-CE1 4.01Å; N545-Y549 VanDerWaalsContact O-CB 3.27Å; N545-Y549 WeakPolarHBondContact O-CB 3.46Å; N545-Y549 PolarHBondContact O-N 2.81Å; E546-Y549 PolarHBondContact O-N 2.84Å; I547-Y549 VanDerWaalsContact C-N 3.3Å; I547-Y549 PolarHBondContact O-N 2.7Å; Y549-A551 PolarHBondContact O-N 3.4Å; Y549-S552 PolarHBondContact O-N 3.28Å; Y549-S552 PolarHBondContact O-OG 2.73Å; Y549-S552 VanDerWaalsContact O-OG 3.06Å; Y549-R553 HydrophobicContact CD2-CG 3.84Å; Y549-R553 HydrophobicContact CE1-CB 4.47Å; Y549-R553 HydrophobicContact CE1-CG 4.48Å; Y549-R553 HydrophobicContact CE2-CG 3.69Å; Y549-R553 HydrophobicContact CG-CG 4.33Å; Y549-R553 VanDerWaalsContact O-CB 3.27Å; Y549-R553 WeakPolarHBondContact O-CB 3.46Å; Y549-R553 WeakPolarHBondContact O-CG 3.48Å; Y549-R553 PolarHBondContact O-N 2.83Å
550L91.1Very high89.3Confident0 Ų038.8 Ų38.80%020%0.202CC..Hα-helixtrans-55.9-49.6173.8-73.1171.4000111.4V440 V504 L505 E546 I547 S552 R553 W554 P560 V562V440-L550 HydrophobicContact CG1-CD1 3.98Å; V440-L550 HydrophobicContact CG2-CB 4.03Å; V504-L550 HydrophobicContact CG1-CD2 3.88Å; V504-L550 HydrophobicContact CG1-CG 4.06Å; V504-L550 HydrophobicContact CG2-CD1 3.84Å; V504-L550 HydrophobicContact CG2-CD2 4.08Å; V504-L550 HydrophobicContact CG2-CG 3.98Å; L505-L550 HydrophobicContact CD2-CD2 3.87Å; E546-L550 WeakPolarHBondContact O-CB 3.39Å; E546-L550 VanDerWaalsContact O-CG 3.29Å; E546-L550 WeakPolarHBondContact O-CG 3.45Å; E546-L550 PolarHBondContact O-N 2.83Å; I547-L550 PolarHBondContact O-N 3.33Å; L550-S552 VanDerWaalsContact C-N 3.28Å; L550-S552 PolarHBondContact O-N 3.45Å; L550-R553 PolarHBondContact O-N 2.8Å; L550-W554 HydrophobicContact CD2-CE3 3.73Å; L550-W554 HydrophobicContact CD2-CZ3 3.93Å; L550-W554 WeakPolarHBondContact O-CA 3.13Å; L550-W554 WeakPolarHBondContact O-CB 3.43Å; L550-W554 PolarHBondContact O-N 3.22Å; L550-P560 HydrophobicContact CB-CB 4.48Å; L550-P560 HydrophobicContact CB-CG 4.5Å; L550-P560 HydrophobicContact CD1-CB 4.36Å; L550-P560 HydrophobicContact CD2-CB 4.19Å; L550-V562 HydrophobicContact CD1-CG2 3.36Å
551A90.6Very high89.5Confident24 Ų2438.5 Ų38.520%0.19820%0.2CC..Hα-helixtrans-61.6-37.1-178.200000113.1V440 I547 A548 Y549 A597V440-A551 HydrophobicContact CG2-CB 3.99Å; I547-A551 WeakPolarHBondContact O-CB 3.37Å; I547-A551 PolarHBondContact O-N 3.15Å; A548-A551 PolarHBondContact O-N 3.25Å; Y549-A551 PolarHBondContact O-N 3.4Å; A551-A597 HydrophobicContact CB-CB 3.34Å
552S84.9Confident89.9Confident59 Ų5936.3 Ų36.341%0.41319%0.19SC..Hα-helixtrans-82-32.7-179.560.50000113.6A548 Y549 L550 R555A548-S552 WeakPolarHBondContact O-CB 3.49Å; A548-S552 PolarHBondContact O-N 3.42Å; A548-S552 PolarHBondContact O-OG 3.08Å; Y549-S552 PolarHBondContact O-N 3.28Å; Y549-S552 PolarHBondContact O-OG 2.73Å; Y549-S552 VanDerWaalsContact O-OG 3.06Å; L550-S552 VanDerWaalsContact C-N 3.28Å; L550-S552 PolarHBondContact O-N 3.45Å; S552-R555 PolarHBondContact O-NH1 3.44Å; S552-R555 PolarHBondContact O-NH2 2.96Å
553R86.4Confident90.2Very high71 Ų7135.6 Ų35.627%0.26819%0.187SC..Hα-helixtrans-111.3-8.2-169.8-55.7-45.4-170.7165.7-2.3115.1Q236 Y549 L550 R555Q236-R553 HydrophobicContact CG-CB 3.96Å; Q236-R553 HydrophobicContact CG-CG 4.11Å; Q236-R553 VanDerWaalsContact NE2-CD 3.29Å; Y549-R553 HydrophobicContact CD2-CG 3.84Å; Y549-R553 HydrophobicContact CE1-CB 4.47Å; Y549-R553 HydrophobicContact CE1-CG 4.48Å; Y549-R553 HydrophobicContact CE2-CG 3.69Å; Y549-R553 HydrophobicContact CG-CG 4.33Å; Y549-R553 VanDerWaalsContact O-CB 3.27Å; Y549-R553 WeakPolarHBondContact O-CB 3.46Å; Y549-R553 WeakPolarHBondContact O-CG 3.48Å; Y549-R553 PolarHBondContact O-N 2.83Å; L550-R553 PolarHBondContact O-N 2.8Å; R553-R555 PolarHBondContact O-N 3.06Å
554W89.7Confident90.3Very high7 Ų735.8 Ų35.83%0.02719%0.187CC..  trans-67124.3177.5-167.3-95.5000111V438 L505 S508 K509 L550 I556 G558 P560 C612V438-W554 HydrophobicContact CG1-CB 4.06Å; V438-W554 HydrophobicContact CG1-CG 4.36Å; V438-W554 HydrophobicContact CG2-CB 4.19Å; L505-W554 HydrophobicContact CD2-CE3 3.68Å; L505-W554 HydrophobicContact CD2-CZ3 4.18Å; L505-W554 WeakPolarHBondContact O-CZ3 3.3Å; S508-W554 WeakPolarHBondContact O-CH2 3.15Å; K509-W554 HydrophobicContact CB-CH2 4.3Å; L550-W554 HydrophobicContact CD2-CE3 3.73Å; L550-W554 HydrophobicContact CD2-CZ3 3.93Å; L550-W554 WeakPolarHBondContact O-CA 3.13Å; L550-W554 WeakPolarHBondContact O-CB 3.43Å; L550-W554 PolarHBondContact O-N 3.22Å; W554-I556 HydrophobicContact CH2-CD1 3.98Å; W554-I556 HydrophobicContact CZ2-CB 4.05Å; W554-I556 HydrophobicContact CZ2-CD1 4.08Å; W554-I556 HydrophobicContact CZ2-CG1 4.46Å; W554-I556 HydrophobicContact CZ3-CD1 4.21Å; W554-I556 PolarHBondContact NE1-O 3.4Å; W554-G558 PolarHBondContact NE1-O 3.01Å; W554-P560 HydrophobicContact CB-CG 4.31Å; W554-P560 HydrophobicContact CD2-CB 3.63Å; W554-P560 HydrophobicContact CD2-CG 3.86Å; W554-P560 HydrophobicContact CE3-CB 3.61Å; W554-P560 HydrophobicContact CE3-CG 4.24Å; W554-P560 HydrophobicContact CG-CB 4.22Å; W554-P560 HydrophobicContact CG-CG 3.91Å; W554-P560 HydrophobicContact CH2-CB 3.97Å; W554-P560 HydrophobicContact CZ2-CB 4.01Å; W554-P560 HydrophobicContact CZ3-CB 3.78Å; W554-C612 HydrophobicContact CH2-CB 4.31Å; W554-C612 HydrophobicContact CZ2-CB 3.56Å
555R80.8Confident90.4Very high85 Ų8533.2 Ų33.232%0.32118%0.181SC..  trans-128.4-1.7-178.9-64.4-61.4179.1-93.9-1.8113.4E271 K435 S552 R553E271-R555 IonicContact OE2-CZ 2.96Å; E271-R555 IonicContact OE2-NE 3.39Å; E271-R555 PolarHBondContact OE2-NE 3.28Å; E271-R555 IonicContact OE2-NH2 3.12Å; K435-R555 PolarHBondContact NZ-O 3.37Å; S552-R555 PolarHBondContact O-NH1 3.44Å; S552-R555 PolarHBondContact O-NH2 2.96Å; R553-R555 PolarHBondContact O-N 3.06Å
556I86.4Confident90.5Very high49 Ų4932.3 Ų32.325%0.25118%0.176SC..SBendtrans-83.5148.3-175.5-44.7171.9000109.3A232 W554 C612A232-I556 HydrophobicContact CB-CD1 3.75Å; W554-I556 HydrophobicContact CH2-CD1 3.98Å; W554-I556 HydrophobicContact CZ2-CB 4.05Å; W554-I556 HydrophobicContact CZ2-CD1 4.08Å; W554-I556 HydrophobicContact CZ2-CG1 4.46Å; W554-I556 HydrophobicContact CZ3-CD1 4.21Å; W554-I556 PolarHBondContact NE1-O 3.4Å; I556-C612 WeakPolarHBondContact CG2-SG 3.46Å
557T87Confident90.5Very high132 Ų13232 Ų3281%0.8118%0.176SC*.SBendtrans-63.6136.7173.9-56.60000110.7C612T557-C612 WeakPolarHBondContact O-CB 3.3Å; T557-C612 PolarHBondContact O-SG 2.91Å; T557-C612 VanDerWaalsContact O-SG 3.34Å
558G91Very high90.1Very high32 Ų3234.6 Ų34.633%0.3319%0.188SC..SBendtrans89.2162.3-172.100000112.5W554W554-G558 PolarHBondContact NE1-O 3.01Å
559R93.7Very high89.8Confident98 Ų9835.1 Ų35.137%0.3719%0.189SC..BIsolated β-bridgetrans-82.1143.3-178.1-66.8-179.9-178-174.31.1111.3Q441 T561 T610 S611 C612Q441-R559 HydrophobicContact CG-CB 4.18Å; R559-T561 PolarHBondContact O-N 3.4Å; R559-T561 PolarHBondContact O-OG1 2.91Å; R559-T610 PolarHBondContact N-O 2.98Å; R559-S611 WeakPolarHBondContact O-CA 3.42Å; R559-C612 PolarHBondContact O-N 3.41Å
560P96.3Very high89.8Confident0 Ų033.8 Ų33.80%018%0.183CC..  trans-66131.7170.622.3-24.9000109.8V438 V440 Q441 S508 L550 W554V438-P560 HydrophobicContact CG1-CG 3.57Å; V440-P560 HydrophobicContact CB-CG 4.44Å; V440-P560 HydrophobicContact CG1-CG 4.43Å; V440-P560 HydrophobicContact CG2-CG 4.07Å; Q441-P560 WeakPolarHBondContact CB-O 3.37Å; Q441-P560 PolarHBondContact N-O 3.26Å; S508-P560 CarbonylContact O-C 3.16Å; S508-P560 WeakPolarHBondContact O-CA 3.12Å; L550-P560 HydrophobicContact CB-CB 4.48Å; L550-P560 HydrophobicContact CB-CG 4.5Å; L550-P560 HydrophobicContact CD1-CB 4.36Å; L550-P560 HydrophobicContact CD2-CB 4.19Å; W554-P560 HydrophobicContact CB-CG 4.31Å; W554-P560 HydrophobicContact CD2-CB 3.63Å; W554-P560 HydrophobicContact CD2-CG 3.86Å; W554-P560 HydrophobicContact CE3-CB 3.61Å; W554-P560 HydrophobicContact CE3-CG 4.24Å; W554-P560 HydrophobicContact CG-CB 4.22Å; W554-P560 HydrophobicContact CG-CG 3.91Å; W554-P560 HydrophobicContact CH2-CB 3.97Å; W554-P560 HydrophobicContact CZ2-CB 4.01Å; W554-P560 HydrophobicContact CZ3-CB 3.78Å
561T96.4Very high89.7Confident3 Ų334.1 Ų34.12%0.01819%0.185CC..EExtended strand (participates in β ladder)trans-123105.1-178.2-55.70000110.3Q441 S508 F510 R559 L604 F607 S611Q441-T561 HydrophobicContact CB-CG2 4.29Å; Q441-T561 CarbonylContact O-C 3.6Å; Q441-T561 WeakPolarHBondContact O-CA 3.47Å; Q441-T561 PolarHBondContact OE1-OG1 3.49Å; Q441-T561 VanDerWaalsContact OE1-OG1 3.04Å; S508-T561 CarbonylContact C-O 3.57Å; S508-T561 VanDerWaalsContact C-O 3.22Å; S508-T561 WeakPolarHBondContact CA-O 3.48Å; S508-T561 PolarHBondContact O-N 3.02Å; F510-T561 HydrophobicContact CE2-CG2 4.33Å; F510-T561 HydrophobicContact CZ-CG2 4.33Å; R559-T561 PolarHBondContact O-N 3.4Å; R559-T561 PolarHBondContact O-OG1 2.91Å; T561-L604 HydrophobicContact CG2-CD2 4.16Å; T561-F607 HydrophobicContact CG2-CB 4.3Å; T561-F607 HydrophobicContact CG2-CD2 4.01Å; T561-S611 VanDerWaalsContact OG1-CB 3.26Å; T561-S611 WeakPolarHBondContact OG1-CB 3.42Å; T561-S611 PolarHBondContact OG1-OG 3.08Å
562V96.6Very high89.5Confident3 Ų334.5 Ų34.52%0.01819%0.185CC..EExtended strand (participates in β ladder)trans-87.1125.4179.3-178.30000109.5V440 Q441 V442 S443 P522 L543 L550V440-V562 HydrophobicContact CG1-CG2 3.9Å; Q441-V562 PolarHBondContact O-N 3.07Å; V442-V562 WeakPolarHBondContact CA-O 3.18Å; V442-V562 HydrophobicContact CG2-CB 4.42Å; S443-V562 PolarHBondContact N-O 3.14Å; P522-V562 HydrophobicContact CG-CG1 3.78Å; L543-V562 HydrophobicContact CD1-CG1 4.32Å; L550-V562 HydrophobicContact CD1-CG2 3.36Å
563T94.8Very high89.2Confident2 Ų240.2 Ų40.21%0.01221%0.205CC..EExtended strand (participates in β ladder)trans-97.1108.4173.2-56.20000109.5L445 V473 T521 P522 P565 L604L445-T563 HydrophobicContact CD1-CG2 3.51Å; L445-T563 HydrophobicContact CG-CG2 4.27Å; V473-T563 HydrophobicContact CG1-CG2 3.93Å; V473-T563 HydrophobicContact CG2-CG2 4.05Å; T521-T563 HydrophobicContact CG2-CG2 4.49Å; P522-T563 WeakPolarHBondContact CD-O 3.49Å; T563-P565 WeakPolarHBondContact O-CD 3.31Å; T563-L604 HydrophobicContact CG2-CD1 4.26Å
564F93.9Very high88.9Confident4 Ų441.8 Ų41.82%0.01822%0.219CC..EExtended strand (participates in β ladder)trans-114.196.3-172.7-170.2-106.5000111.2V442 S443 I444 L445 F524 I525 I539 L543 I566 M570 L586V442-F564 HydrophobicContact CG1-CB 4.33Å; S443-F564 PolarHBondContact O-N 2.74Å; I444-F564 WeakPolarHBondContact CA-O 3.07Å; L445-F564 PolarHBondContact N-O 3.02Å; F524-F564 HydrophobicContact CE2-CE2 4.07Å; F524-F564 HydrophobicContact CZ-CE2 4.25Å; I525-F564 HydrophobicContact CD1-CD2 3.36Å; I525-F564 HydrophobicContact CD1-CE2 3.5Å; I525-F564 VanDerWaalsContact CD1-CE2 3.5Å; I525-F564 HydrophobicContact CD1-CG 4.41Å; I525-F564 HydrophobicContact CG1-CD2 4.43Å; I525-F564 HydrophobicContact CG1-CE2 4.12Å; I539-F564 HydrophobicContact CG2-CE2 4.06Å; I539-F564 HydrophobicContact CG2-CZ 3.88Å; L543-F564 HydrophobicContact CB-CE2 4.48Å; L543-F564 HydrophobicContact CD1-CD2 3.98Å; L543-F564 HydrophobicContact CD1-CE2 4.3Å; L543-F564 HydrophobicContact CD2-CD1 4.33Å; L543-F564 HydrophobicContact CD2-CD2 4.07Å; L543-F564 HydrophobicContact CD2-CE1 4.16Å; L543-F564 HydrophobicContact CD2-CE2 3.93Å; L543-F564 HydrophobicContact CD2-CG 4.3Å; L543-F564 HydrophobicContact CD2-CZ 3.98Å; L543-F564 HydrophobicContact CG-CE2 4.47Å; F564-I566 HydrophobicContact CD1-CD1 3.73Å; F564-I566 HydrophobicContact CE1-CD1 3.43Å; F564-I566 VanDerWaalsContact CE1-CD1 3.43Å; F564-M570 HydrophobicContact CE1-SD 4.45Å; F564-M570 HydrophobicContact CZ-CE 4.19Å; F564-M570 HydrophobicContact CZ-SD 4.3Å; F564-L586 HydrophobicContact CD1-CD2 4.45Å; F564-L586 HydrophobicContact CE1-CD2 4.41Å
565P91.8Very high88.5Confident25 Ų2548.6 Ų48.616%0.16225%0.245CC..EExtended strand (participates in β ladder)trans-76.6138.6176.432.1-35.5000111.5L445 T521 I525 T563L445-P565 CarbonylContact O-C 3.47Å; L445-P565 WeakPolarHBondContact O-CA 3.34Å; T521-P565 HydrophobicContact CG2-CG 3.88Å; I525-P565 HydrophobicContact CD1-CG 4.47Å; I525-P565 HydrophobicContact CG2-CG 4.15Å; T563-P565 WeakPolarHBondContact O-CD 3.31Å
566I91Very high88.7Confident0 Ų048.4 Ų48.40%025%0.253CS..EExtended strand (participates in β ladder)trans-96.4116.4170-54.5-58.8000108I444 L445 E447 I451 L455 F564 M570 L578 V582 L586I444-I566 HydrophobicContact CG2-CD1 4.21Å; I444-I566 HydrophobicContact CG2-CG1 3.68Å; L445-I566 PolarHBondContact O-N 3.27Å; E447-I566 WeakPolarHBondContact CB-O 3.4Å; E447-I566 PolarHBondContact N-O 3.41Å; E447-I566 VanDerWaalsContact N-O 3.09Å; I451-I566 HydrophobicContact CG2-CB 4.06Å; I451-I566 HydrophobicContact CG2-CG2 3.74Å; L455-I566 HydrophobicContact CD1-CB 4.12Å; L455-I566 HydrophobicContact CD1-CG1 4.01Å; L455-I566 HydrophobicContact CD1-CG2 4.38Å; L455-I566 HydrophobicContact CD2-CG1 4.43Å; F564-I566 HydrophobicContact CD1-CD1 3.73Å; F564-I566 HydrophobicContact CE1-CD1 3.43Å; F564-I566 VanDerWaalsContact CE1-CD1 3.43Å; I566-M570 HydrophobicContact CD1-SD 3.91Å; I566-M570 HydrophobicContact CG2-CB 4.22Å; I566-M570 HydrophobicContact CG2-SD 4.38Å; I566-L578 HydrophobicContact CG2-CD2 3.62Å; I566-V582 HydrophobicContact CD1-CG1 4.26Å; I566-L586 HydrophobicContact CD1-CD1 4.13Å; I566-L586 HydrophobicContact CD1-CD2 4.22Å; I566-L586 HydrophobicContact CG1-CD1 4.48Å
567S87.6Confident88.8Confident15 Ų1547.8 Ų47.811%0.10525%0.25CS..PPolyproline II helixtrans-101.1169.4-179.156.30000112.6E447 T569 M570E447-S567 WeakPolarHBondContact OE2-CA 3.4Å; E447-S567 WeakPolarHBondContact OE2-CB 3.24Å; S567-T569 PolarHBondContact O-N 3.27Å; S567-T569 PolarHBondContact OG-OG1 2.97Å; S567-M570 WeakPolarHBondContact O-CB 3.49Å; S567-M570 PolarHBondContact O-N 3.3Å
568Q84.6Confident88.9Confident55 Ų5541.5 Ų41.526%0.25721%0.212SC..G310 helixtrans-58.3-29.8178-153.776.611.200113.3E447 M570 L571E447-Q568 PolarHBondContact OE2-N 3.02Å; E447-Q568 VanDerWaalsContact OE2-N 3.15Å; Q568-M570 PolarHBondContact O-N 2.86Å; Q568-L571 HydrophobicContact CG-CD1 4.21Å; Q568-L571 WeakPolarHBondContact O-CB 3.42Å; Q568-L571 WeakPolarHBondContact O-CG 3.27Å; Q568-L571 PolarHBondContact O-N 3.47Å
569T83.3Confident89Confident43 Ų4341.4 Ų41.426%0.26420%0.204SC..G310 helixtrans-67.8-17.6178.552.50000113.7L534 N536 S567 L571L534-T569 HydrophobicContact CD2-CG2 4.45Å; N536-T569 PolarHBondContact ND2-O 3.29Å; N536-T569 PolarHBondContact OD1-O 3.46Å; S567-T569 PolarHBondContact O-N 3.27Å; S567-T569 PolarHBondContact OG-OG1 2.97Å; T569-L571 VanDerWaalsContact C-N 3.3Å
570M88.8Confident88.9Confident2 Ų241.1 Ų41.11%0.0121%0.214CC..G310 helixtrans-89.57.1179-59.7-172.7-166.900113.6I525 N536 I539 F564 I566 S567 Q568 D579 V582I525-M570 HydrophobicContact CG2-CE 4.35Å; N536-M570 WeakPolarHBondContact OD1-CA 3.46Å; I539-M570 HydrophobicContact CD1-CE 3.96Å; I539-M570 HydrophobicContact CD1-CG 4.44Å; I539-M570 HydrophobicContact CG2-CE 4.13Å; F564-M570 HydrophobicContact CE1-SD 4.45Å; F564-M570 HydrophobicContact CZ-CE 4.19Å; F564-M570 HydrophobicContact CZ-SD 4.3Å; I566-M570 HydrophobicContact CD1-SD 3.91Å; I566-M570 HydrophobicContact CG2-CB 4.22Å; I566-M570 HydrophobicContact CG2-SD 4.38Å; S567-M570 WeakPolarHBondContact O-CB 3.49Å; S567-M570 PolarHBondContact O-N 3.3Å; Q568-M570 PolarHBondContact O-N 2.86Å; M570-D579 WeakPolarHBondContact O-CB 3.47Å; M570-D579 PolarHBondContact O-N 3.3Å; M570-V582 HydrophobicContact CB-CG2 4.26Å
571L88.6Confident88.6Confident7 Ų742.4 Ų42.44%0.03723%0.225CC..BIsolated β-bridgetrans-89167.9176.1-56-176.9000111.7I451 L454 Q568 T569 R575 D577 L578I451-L571 HydrophobicContact CG1-CD1 4.35Å; L454-L571 HydrophobicContact CD1-CD1 4.15Å; L454-L571 HydrophobicContact CD1-CD2 3.89Å; Q568-L571 HydrophobicContact CG-CD1 4.21Å; Q568-L571 WeakPolarHBondContact O-CB 3.42Å; Q568-L571 WeakPolarHBondContact O-CG 3.27Å; Q568-L571 PolarHBondContact O-N 3.47Å; T569-L571 VanDerWaalsContact C-N 3.3Å; L571-R575 HydrophobicContact CD1-CB 4.39Å; L571-D577 CarbonylContact C-O 3.52Å; L571-D577 WeakPolarHBondContact CA-O 3.26Å; L571-D577 WeakPolarHBondContact CB-O 3.35Å; L571-L578 HydrophobicContact CD2-CD2 3.68Å; L571-L578 HydrophobicContact CD2-CG 4.02Å
572T86.1Confident88.5Confident32 Ų3242.4 Ų42.420%0.19623%0.225CC..  trans-63.3160.6168.654.60000111.1D574 R575 T576 D577T572-D574 WeakPolarHBondContact CB-OD1 3.49Å; T572-D574 PolarHBondContact O-N 3.38Å; T572-D574 PolarHBondContact OG1-OD1 3.21Å; T572-R575 WeakPolarHBondContact O-CA 3.46Å; T572-R575 PolarHBondContact O-N 2.72Å; T572-T576 PolarHBondContact OG1-N 2.65Å; T572-D577 HydrophobicContact CG2-CB 4.33Å; T572-D577 PolarHBondContact N-O 2.97Å; T572-D577 PolarHBondContact OG1-N 3.09Å; T572-D577 PolarHBondContact OG1-O 3.38Å; T572-D577 VanDerWaalsContact OG1-O 3.11Å
573E77.8Confident88.3Confident180 Ų18043.3 Ų43.384%0.84123%0.23SC*.THydrogen-bonded Turntrans-57.8-36.7-178.2-70174.9-176.200112.8R575E573-R575 PolarHBondContact O-N 3.36Å
574D81.2Confident88.2Confident104 Ų10445.4 Ų45.456%0.55625%0.247SC*.THydrogen-bonded Turntrans-80-2.6174.866.1-21.8000113.5T572 T576T572-D574 WeakPolarHBondContact CB-OD1 3.49Å; T572-D574 PolarHBondContact O-N 3.38Å; T572-D574 PolarHBondContact OG1-OD1 3.21Å; D574-T576 HydrophobicContact CB-CG2 4.07Å; D574-T576 PolarHBondContact O-N 3.23Å; D574-T576 VanDerWaalsContact O-N 3.12Å; D574-T576 PolarHBondContact OD1-N 2.81Å; D574-T576 PolarHBondContact OD1-OG1 3.3Å; D574-T576 WeakPolarHBondContact OD2-CB 3.4Å; D574-T576 WeakPolarHBondContact OD2-CG2 2.97Å; D574-T576 PolarHBondContact OD2-OG1 3.01Å
575R81.8Confident88.2Confident150 Ų15045.6 Ų45.657%0.56625%0.249SC*.SBendtrans55.922.4-178.9-55.8178.8177.2-176.9-1.1113.9L571 T572 E573L571-R575 HydrophobicContact CD1-CB 4.39Å; T572-R575 WeakPolarHBondContact O-CA 3.46Å; T572-R575 PolarHBondContact O-N 2.72Å; E573-R575 PolarHBondContact O-N 3.36Å
576T84.7Confident88.3Confident81 Ų8144.5 Ų44.550%0.49724%0.241SC..SBendtrans-87.8-22.2-178.765.70000113.1L454 T572 D574L454-T576 WeakPolarHBondContact CD2-O 3.42Å; T572-T576 PolarHBondContact OG1-N 2.65Å; D574-T576 HydrophobicContact CB-CG2 4.07Å; D574-T576 PolarHBondContact O-N 3.23Å; D574-T576 VanDerWaalsContact O-N 3.12Å; D574-T576 PolarHBondContact OD1-N 2.81Å; D574-T576 PolarHBondContact OD1-OG1 3.3Å; D574-T576 WeakPolarHBondContact OD2-CB 3.4Å; D574-T576 WeakPolarHBondContact OD2-CG2 2.97Å; D574-T576 PolarHBondContact OD2-OG1 3.01Å
577D88.9Confident88.4Confident35 Ų3549 Ų4919%0.18726%0.261CS..SBendtrans-148.3178.2177.2-138.2-44.5000111.6K457 N458 L571 T572K457-D577 IonicContact NZ-OD2 2.7Å; K457-D577 PolarHBondContact NZ-OD2 3.46Å; N458-D577 PolarHBondContact ND2-OD1 3.24Å; L571-D577 CarbonylContact C-O 3.52Å; L571-D577 WeakPolarHBondContact CA-O 3.26Å; L571-D577 WeakPolarHBondContact CB-O 3.35Å; T572-D577 HydrophobicContact CG2-CB 4.33Å; T572-D577 PolarHBondContact N-O 2.97Å; T572-D577 PolarHBondContact OG1-N 3.09Å; T572-D577 PolarHBondContact OG1-O 3.38Å; T572-D577 VanDerWaalsContact OG1-O 3.11Å
578L89.3Confident88.6Confident1 Ų153.5 Ų53.51%0.00528%0.279CS..BIsolated β-bridgetrans-78.4150.5173-71.8148.3000110.9L455 I566 L571 I583L455-L578 HydrophobicContact CD2-CD1 3.43Å; L455-L578 VanDerWaalsContact CD2-CD1 3.43Å; L455-L578 HydrophobicContact CD2-CD2 4.22Å; L455-L578 HydrophobicContact CD2-CG 4.48Å; L455-L578 HydrophobicContact CG-CD1 3.84Å; I566-L578 HydrophobicContact CG2-CD2 3.62Å; L571-L578 HydrophobicContact CD2-CD2 3.68Å; L571-L578 HydrophobicContact CD2-CG 4.02Å; L578-I583 HydrophobicContact CB-CD1 3.74Å; L578-I583 HydrophobicContact CB-CG1 3.39Å; L578-I583 HydrophobicContact CD1-CG1 4.28Å; L578-I583 HydrophobicContact CG-CG1 4.48Å; L578-I583 VanDerWaalsContact O-CD1 3.3Å; L578-I583 WeakPolarHBondContact O-CD1 3.48Å
579D91.8Very high89.1Confident29 Ų2950.9 Ų50.916%0.15527%0.266CS..  trans-56132.9174.3-175.9-67000110.7N536 M570 A581 V582 I583N536-D579 HydrophobicContact CB-CB 4.28Å; N536-D579 WeakPolarHBondContact ND2-CB 3.47Å; N536-D579 PolarHBondContact ND2-OD2 3.42Å; M570-D579 WeakPolarHBondContact O-CB 3.47Å; M570-D579 PolarHBondContact O-N 3.3Å; D579-A581 PolarHBondContact O-N 3.19Å; D579-A581 VanDerWaalsContact O-N 3.15Å; D579-A581 VanDerWaalsContact OD1-CB 3.28Å; D579-A581 WeakPolarHBondContact OD1-CB 3.24Å; D579-A581 PolarHBondContact OD1-N 3.01Å; D579-V582 HydrophobicContact CB-CB 4.24Å; D579-V582 HydrophobicContact CB-CG2 3.93Å; D579-V582 WeakPolarHBondContact O-CA 3.14Å; D579-V582 WeakPolarHBondContact O-CB 3.35Å; D579-V582 PolarHBondContact O-N 3.19Å; D579-I583 PolarHBondContact O-N 2.69Å
580P91.8Very high89.5Confident92 Ų9252.8 Ų52.860%0.59727%0.272SS*.Hα-helixtrans-55.5-34.1-177.5-27.935000114.5A584P580-A584 VanDerWaalsContact O-CB 3.26Å; P580-A584 WeakPolarHBondContact O-CB 3.37Å; P580-A584 PolarHBondContact O-N 3.14Å
581A91.1Very high89.6Confident27 Ų2759 Ų5922%0.22331%0.306CS..Hα-helixtrans-69.3-36.3177.600000111.6K537 D579 T585K537-A581 HydrophobicContact CG-CB 4.14Å; D579-A581 PolarHBondContact O-N 3.19Å; D579-A581 VanDerWaalsContact O-N 3.15Å; D579-A581 VanDerWaalsContact OD1-CB 3.28Å; D579-A581 WeakPolarHBondContact OD1-CB 3.24Å; D579-A581 PolarHBondContact OD1-N 3.01Å; A581-T585 WeakPolarHBondContact O-CB 3.43Å; A581-T585 PolarHBondContact O-N 3.43Å; A581-T585 VanDerWaalsContact O-N 3.17Å; A581-T585 PolarHBondContact O-OG1 2.72Å
582V92.9Very high89.7Confident4 Ų460 Ų602%0.02432%0.317CS..Hα-helixtrans-68.3-51.8174.8178.20000109.4N536 V540 I566 M570 D579 A584 T585 L586N536-V582 HydrophobicContact CB-CG2 4.08Å; V540-V582 HydrophobicContact CG2-CG2 4.3Å; I566-V582 HydrophobicContact CD1-CG1 4.26Å; M570-V582 HydrophobicContact CB-CG2 4.26Å; D579-V582 HydrophobicContact CB-CB 4.24Å; D579-V582 HydrophobicContact CB-CG2 3.93Å; D579-V582 WeakPolarHBondContact O-CA 3.14Å; D579-V582 WeakPolarHBondContact O-CB 3.35Å; D579-V582 PolarHBondContact O-N 3.19Å; V582-A584 VanDerWaalsContact C-N 3.33Å; V582-A584 PolarHBondContact O-N 3.37Å; V582-T585 WeakPolarHBondContact O-CA 3.49Å; V582-T585 WeakPolarHBondContact O-CB 3.43Å; V582-T585 PolarHBondContact O-N 3.4Å; V582-L586 HydrophobicContact CG1-CD1 4.03Å; V582-L586 HydrophobicContact CG1-CG 4.21Å; V582-L586 WeakPolarHBondContact O-CG 3.42Å; V582-L586 PolarHBondContact O-N 2.78Å
583I93Very high89.9Confident22 Ų2265.2 Ų65.211%0.11333%0.334CS..Hα-helixtrans-54.3-49.2177.4-63.3174.7000111.3L578 D579 T585 L586 K587L578-I583 HydrophobicContact CB-CD1 3.74Å; L578-I583 HydrophobicContact CB-CG1 3.39Å; L578-I583 HydrophobicContact CD1-CG1 4.28Å; L578-I583 HydrophobicContact CG-CG1 4.48Å; L578-I583 VanDerWaalsContact O-CD1 3.3Å; L578-I583 WeakPolarHBondContact O-CD1 3.48Å; D579-I583 PolarHBondContact O-N 2.69Å; I583-T585 PolarHBondContact O-N 3.35Å; I583-L586 PolarHBondContact O-N 3.33Å; I583-K587 HydrophobicContact CG2-CD 4.08Å; I583-K587 HydrophobicContact CG2-CG 4.48Å; I583-K587 WeakPolarHBondContact O-CG 3.27Å; I583-K587 PolarHBondContact O-N 2.92Å
584A92.8Very high90.6Very high46 Ų4657 Ų5738%0.3830%0.296SS..Hα-helixtrans-59.9-34.518000000112P580 V582 K588P580-A584 VanDerWaalsContact O-CB 3.26Å; P580-A584 WeakPolarHBondContact O-CB 3.37Å; P580-A584 PolarHBondContact O-N 3.14Å; V582-A584 VanDerWaalsContact C-N 3.33Å; V582-A584 PolarHBondContact O-N 3.37Å; A584-K588 VanDerWaalsContact O-CG 3.28Å; A584-K588 WeakPolarHBondContact O-CG 3.29Å; A584-K588 PolarHBondContact O-N 2.88Å
585T93.7Very high90.5Very high8 Ų853.1 Ų53.15%0.04928%0.281CS..Hα-helixtrans-72.4-46.2177-64.60000112V540 L543 A581 V582 I583 K587 K588 L589 Y594V540-T585 HydrophobicContact CG1-CG2 4.17Å; V540-T585 WeakPolarHBondContact CG1-OG1 3.45Å; V540-T585 HydrophobicContact CG2-CG2 4.26Å; V540-T585 WeakPolarHBondContact CG2-OG1 3.49Å; L543-T585 HydrophobicContact CD2-CG2 4.28Å; A581-T585 WeakPolarHBondContact O-CB 3.43Å; A581-T585 PolarHBondContact O-N 3.43Å; A581-T585 VanDerWaalsContact O-N 3.17Å; A581-T585 PolarHBondContact O-OG1 2.72Å; V582-T585 WeakPolarHBondContact O-CA 3.49Å; V582-T585 WeakPolarHBondContact O-CB 3.43Å; V582-T585 PolarHBondContact O-N 3.4Å; I583-T585 PolarHBondContact O-N 3.35Å; T585-K587 VanDerWaalsContact C-N 3.3Å; T585-K587 PolarHBondContact O-N 3.13Å; T585-K588 PolarHBondContact O-N 3.29Å; T585-L589 HydrophobicContact CG2-CD1 4.21Å; T585-L589 WeakPolarHBondContact O-CG 3.33Å; T585-L589 PolarHBondContact O-N 3.22Å; T585-Y594 HydrophobicContact CG2-CE1 4.17Å; T585-Y594 HydrophobicContact CG2-CE2 3.79Å; T585-Y594 VanDerWaalsContact CG2-CZ 3.5Å; T585-Y594 VanDerWaalsContact CG2-OH 3.29Å; T585-Y594 WeakPolarHBondContact CG2-OH 3.17Å
586L94.2Very high90.7Very high1 Ų148.6 Ų48.61%0.00528%0.281CS..Hα-helixtrans-61.9-39.3178.6-59.5-178.9000111.7I444 L455 I460 F564 I566 V582 I583 L589 Q590I444-L586 HydrophobicContact CD1-CD2 3.8Å; I444-L586 HydrophobicContact CG1-CD2 4.13Å; I444-L586 HydrophobicContact CG2-CD2 4.37Å; L455-L586 HydrophobicContact CD2-CD1 3.55Å; I460-L586 HydrophobicContact CD1-CB 3.54Å; I460-L586 HydrophobicContact CD1-CD1 3.71Å; I460-L586 HydrophobicContact CD1-CG 4.28Å; F564-L586 HydrophobicContact CD1-CD2 4.45Å; F564-L586 HydrophobicContact CE1-CD2 4.41Å; I566-L586 HydrophobicContact CD1-CD1 4.13Å; I566-L586 HydrophobicContact CD1-CD2 4.22Å; I566-L586 HydrophobicContact CG1-CD1 4.48Å; V582-L586 HydrophobicContact CG1-CD1 4.03Å; V582-L586 HydrophobicContact CG1-CG 4.21Å; V582-L586 WeakPolarHBondContact O-CG 3.42Å; V582-L586 PolarHBondContact O-N 2.78Å; I583-L586 PolarHBondContact O-N 3.33Å; L586-L589 HydrophobicContact CD2-CD1 4.28Å; L586-L589 WeakPolarHBondContact O-CB 3.4Å; L586-L589 PolarHBondContact O-N 3.16Å; L586-Q590 PolarHBondContact O-N 3.37Å; L586-Q590 VanDerWaalsContact O-N 3.09Å
587K92.5Very high91Very high96 Ų9645 Ų4542%0.41726%0.259SS..Hα-helixtrans-63.2-44.6173.3-72.1-179.6178.6176.90112.3I583 T585 L589 Q590 D591I583-K587 HydrophobicContact CG2-CD 4.08Å; I583-K587 HydrophobicContact CG2-CG 4.48Å; I583-K587 WeakPolarHBondContact O-CG 3.27Å; I583-K587 PolarHBondContact O-N 2.92Å; T585-K587 VanDerWaalsContact C-N 3.3Å; T585-K587 PolarHBondContact O-N 3.13Å; K587-L589 VanDerWaalsContact C-N 3.27Å; K587-L589 PolarHBondContact O-N 2.84Å; K587-Q590 WeakPolarHBondContact O-CA 3.49Å; K587-Q590 WeakPolarHBondContact O-CB 3.07Å; K587-Q590 PolarHBondContact O-N 3.34Å; K587-D591 PolarHBondContact O-N 3.49Å
588K92.6Very high91.2Very high108 Ų10848.6 Ų48.647%0.4727%0.27SS..Hα-helixtrans-62.4-33.6175.4-75.4176.4178.3-178.20113.2A584 T585 Q590 D591 Y594A584-K588 VanDerWaalsContact O-CG 3.28Å; A584-K588 WeakPolarHBondContact O-CG 3.29Å; A584-K588 PolarHBondContact O-N 2.88Å; T585-K588 PolarHBondContact O-N 3.29Å; K588-Q590 VanDerWaalsContact C-N 3.35Å; K588-D591 PolarHBondContact O-N 2.93Å; K588-Y594 HydrophobicContact CB-CD2 3.83Å; K588-Y594 HydrophobicContact CB-CE2 4.29Å; K588-Y594 HydrophobicContact CD-CD2 4.36Å; K588-Y594 HydrophobicContact CD-CE2 4.29Å
589L93.8Very high91.5Very high0 Ų049 Ų490%027%0.272CS..Hα-helixtrans-65.9-38.9173.1-70.5167.7000111.2V442 L543 I547 T585 L586 K587 D591 G592 Y594 T599 T601V442-L589 HydrophobicContact CG1-CD1 4.36Å; V442-L589 HydrophobicContact CG2-CD2 4.28Å; L543-L589 HydrophobicContact CD2-CD1 4.14Å; I547-L589 HydrophobicContact CD1-CD2 3.73Å; T585-L589 HydrophobicContact CG2-CD1 4.21Å; T585-L589 WeakPolarHBondContact O-CG 3.33Å; T585-L589 PolarHBondContact O-N 3.22Å; L586-L589 HydrophobicContact CD2-CD1 4.28Å; L586-L589 WeakPolarHBondContact O-CB 3.4Å; L586-L589 PolarHBondContact O-N 3.16Å; K587-L589 VanDerWaalsContact C-N 3.27Å; K587-L589 PolarHBondContact O-N 2.84Å; L589-D591 VanDerWaalsContact C-N 3.31Å; L589-D591 PolarHBondContact O-N 3.19Å; L589-G592 PolarHBondContact O-N 3.03Å; L589-Y594 HydrophobicContact CD2-CD1 3.8Å; L589-Y594 HydrophobicContact CD2-CG 3.75Å; L589-Y594 HydrophobicContact CG-CG 4.29Å; L589-T599 HydrophobicContact CD2-CG2 4.08Å; L589-T599 PolarHBondContact O-OG1 2.99Å; L589-T601 HydrophobicContact CB-CG2 3.67Å
590Q91.4Very high91.7Very high83 Ų8351.3 Ų51.339%0.38828%0.283SS..Hα-helixtrans-66.4-30173.9-68.9179.1-4500112.9G459 L586 K587 K588 G592G459-Q590 PolarHBondContact O-NE2 3Å; L586-Q590 PolarHBondContact O-N 3.37Å; L586-Q590 VanDerWaalsContact O-N 3.09Å; K587-Q590 WeakPolarHBondContact O-CA 3.49Å; K587-Q590 WeakPolarHBondContact O-CB 3.07Å; K587-Q590 PolarHBondContact O-N 3.34Å; K588-Q590 VanDerWaalsContact C-N 3.35Å; Q590-G592 PolarHBondContact O-N 3.17Å
591D91.4Very high91.9Very high134 Ų13449 Ų4972%0.71727%0.266SS*.THydrogen-bonded Turntrans-67.7-11.4175.1-64.3-26.4000113.2K587 K588 L589K587-D591 PolarHBondContact O-N 3.49Å; K588-D591 PolarHBondContact O-N 2.93Å; L589-D591 VanDerWaalsContact C-N 3.31Å; L589-D591 PolarHBondContact O-N 3.19Å
592G90.8Very high92Very high27 Ų2748.8 Ų48.828%0.27827%0.267SS..THydrogen-bonded Turntrans88.55.8172.900000115.6L589 Q590 T599L589-G592 PolarHBondContact O-N 3.03Å; Q590-G592 PolarHBondContact O-N 3.17Å; G592-T599 CarbonylContact C-O 3.58Å; G592-T599 WeakPolarHBondContact CA-O 3.49Å; G592-T599 PolarHBondContact O-N 3.49Å
593Y91.6Very high92Very high141 Ų14151.9 Ų51.955%0.55328%0.28SS*.EExtended strand (participates in β ladder)trans-144.6123.4176.1-165.4-96.6000112.3G596 A597 R598 T599Y593-G596 WeakPolarHBondContact OH-CA 3.43Å; Y593-G596 PolarHBondContact OH-O 3.24Å; Y593-A597 WeakPolarHBondContact CA-O 3.4Å; Y593-A597 VanDerWaalsContact CD2-O 3.27Å; Y593-A597 WeakPolarHBondContact CD2-O 3.11Å; Y593-R598 HydrophobicContact CD2-CG 4.33Å; Y593-T599 PolarHBondContact N-OG1 2.71Å
594Y91.5Very high91.9Very high7 Ų750.8 Ų50.83%0.02728%0.275CS..EExtended strand (participates in β ladder)trans-148.6136.4-177.8-169.4-107.3000111.5V540 R544 I547 T585 K588 L589 G596 A597V540-Y594 WeakPolarHBondContact CG1-OH 3.37Å; V540-Y594 PolarHBondContact O-OH 2.77Å; R544-Y594 VanDerWaalsContact CA-CE1 3.4Å; R544-Y594 HydrophobicContact CB-CD1 4.38Å; R544-Y594 HydrophobicContact CB-CE1 3.53Å; R544-Y594 HydrophobicContact CG-CD1 4.33Å; R544-Y594 HydrophobicContact CG-CE1 3.85Å; I547-Y594 HydrophobicContact CD1-CD1 3.8Å; I547-Y594 HydrophobicContact CD1-CE1 4.36Å; T585-Y594 HydrophobicContact CG2-CE1 4.17Å; T585-Y594 HydrophobicContact CG2-CE2 3.79Å; T585-Y594 VanDerWaalsContact CG2-CZ 3.5Å; T585-Y594 VanDerWaalsContact CG2-OH 3.29Å; T585-Y594 WeakPolarHBondContact CG2-OH 3.17Å; K588-Y594 HydrophobicContact CB-CD2 3.83Å; K588-Y594 HydrophobicContact CB-CE2 4.29Å; K588-Y594 HydrophobicContact CD-CD2 4.36Å; K588-Y594 HydrophobicContact CD-CE2 4.29Å; L589-Y594 HydrophobicContact CD2-CD1 3.8Å; L589-Y594 HydrophobicContact CD2-CG 3.75Å; L589-Y594 HydrophobicContact CG-CG 4.29Å; Y594-G596 PolarHBondContact O-N 3.01Å; Y594-A597 PolarHBondContact N-O 3.5Å; Y594-A597 PolarHBondContact O-N 3.24Å
595G79.8Confident91.8Very high24 Ų2451.8 Ų51.825%0.24728%0.279CS..THydrogen-bonded Turntrans62.524.7176.200000115.5A548 A597A548-G595 VanDerWaalsContact CB-O 3.23Å; A548-G595 WeakPolarHBondContact CB-O 2.99Å; G595-A597 VanDerWaalsContact C-N 3.31Å
596G85.4Confident91.7Very high55 Ų5556.7 Ų56.757%0.56730%0.301SS*.THydrogen-bonded Turntrans85.43.1-174.900000114.1Y593 Y594Y593-G596 WeakPolarHBondContact OH-CA 3.43Å; Y593-G596 PolarHBondContact OH-O 3.24Å; Y594-G596 PolarHBondContact O-N 3.01Å
597A90.4Very high91.7Very high4 Ų456.9 Ų56.93%0.03330%0.302CS..EExtended strand (participates in β ladder)trans-120.4149.7-176.800000112.6I547 A551 Y593 Y594 G595I547-A597 HydrophobicContact CG2-CB 3.83Å; A551-A597 HydrophobicContact CB-CB 3.34Å; Y593-A597 WeakPolarHBondContact CA-O 3.4Å; Y593-A597 VanDerWaalsContact CD2-O 3.27Å; Y593-A597 WeakPolarHBondContact CD2-O 3.11Å; Y594-A597 PolarHBondContact N-O 3.5Å; Y594-A597 PolarHBondContact O-N 3.24Å; G595-A597 VanDerWaalsContact C-N 3.31Å
598R94.2Very high91.6Very high111 Ų11155.2 Ų55.242%0.41930%0.297SS..EExtended strand (participates in β ladder)trans-71.1131.6167.7-67-168.9-66.1-156.8-2.7109.3D437 V439 V440 Y593D437-R598 PolarHBondContact O-NH2 2.89Å; D437-R598 IonicContact OD2-CZ 3.12Å; D437-R598 VanDerWaalsContact OD2-CZ 3.26Å; D437-R598 IonicContact OD2-NH1 3.4Å; D437-R598 IonicContact OD2-NH2 2.96Å; D437-R598 PolarHBondContact OD2-NH2 3.02Å; V439-R598 HydrophobicContact CG2-CB 4.11Å; V440-R598 PolarHBondContact N-O 2.92Å; Y593-R598 HydrophobicContact CD2-CG 4.33Å
599T95.6Very high91.6Very high9 Ų956.4 Ų56.46%0.05531%0.314CS..EExtended strand (participates in β ladder)trans-124.4153.9179.756.90000111V440 I547 L589 G592 Y593V440-T599 HydrophobicContact CB-CG2 4.49Å; V440-T599 CarbonylContact O-C 3.49Å; V440-T599 WeakPolarHBondContact O-CA 3.03Å; I547-T599 HydrophobicContact CD1-CG2 4.5Å; I547-T599 HydrophobicContact CG2-CG2 3.75Å; L589-T599 HydrophobicContact CD2-CG2 4.08Å; L589-T599 PolarHBondContact O-OG1 2.99Å; G592-T599 CarbonylContact C-O 3.58Å; G592-T599 WeakPolarHBondContact CA-O 3.49Å; G592-T599 PolarHBondContact O-N 3.49Å; Y593-T599 PolarHBondContact N-OG1 2.71Å
600Q95.7Very high91.5Very high79 Ų7959 Ų5937%0.36933%0.33SS..EExtended strand (participates in β ladder)trans-135.7116.6173.3-177.3179.51.400108.8V439 V440 Q441 V442 F607V439-Q600 HydrophobicContact CG1-CB 3.9Å; V440-Q600 PolarHBondContact O-N 3.01Å; Q441-Q600 CarbonylContact C-O 3.6Å; Q441-Q600 VanDerWaalsContact CA-O 3.31Å; Q441-Q600 WeakPolarHBondContact CA-O 3.39Å; Q441-Q600 HydrophobicContact CG-CB 4.47Å; V442-Q600 PolarHBondContact N-O 3.09Å; Q600-F607 HydrophobicContact CG-CE1 4.06Å; Q600-F607 HydrophobicContact CG-CZ 4.22Å; Q600-F607 WeakPolarHBondContact O-CZ 3.2Å
601T95.3Very high91.6Very high42 Ų4255.6 Ų55.626%0.25832%0.315SS..EExtended strand (participates in β ladder)trans-89.7142.2174.355.50000111.4V442 I444 L589V442-T601 VanDerWaalsContact O-CA 3.3Å; V442-T601 WeakPolarHBondContact O-CA 3.46Å; I444-T601 HydrophobicContact CD1-CG2 4.38Å; L589-T601 HydrophobicContact CB-CG2 3.67Å
602G92.6Very high91.7Very high23 Ų2349.5 Ų49.524%0.23728%0.283CS..  trans179.2-179.9-178.300000112.8V442 S443 F607V442-G602 PolarHBondContact O-N 3.45Å; S443-G602 WeakPolarHBondContact CA-O 3.42Å; S443-G602 WeakPolarHBondContact CB-O 3.39Å; S443-G602 PolarHBondContact OG-O 3.14Å; G602-F607 VanDerWaalsContact CA-CZ 3.43Å; G602-F607 VanDerWaalsContact N-CZ 3.28Å
603K92.8Very high91.7Very high69 Ų6951 Ų5130%0.329%0.288SS..  trans-76.7149.3178.6-62.5-179.9168.4-147.60111.1E463 S605 E606 F607E463-K603 WeakPolarHBondContact OE1-CD 3.5Å; E463-K603 WeakPolarHBondContact OE1-CE 3.4Å; E463-K603 IonicContact OE1-NZ 2.88Å; E463-K603 PolarHBondContact OE1-NZ 3.43Å; E463-K603 WeakPolarHBondContact OE2-CB 3.43Å; E463-K603 WeakPolarHBondContact OE2-CG 3.4Å; K603-S605 PolarHBondContact O-N 3.06Å; K603-E606 HydrophobicContact CB-CB 4.35Å; K603-E606 HydrophobicContact CB-CG 3.94Å; K603-E606 PolarHBondContact N-OE2 2.82Å; K603-E606 VanDerWaalsContact N-OE2 3.07Å; K603-E606 WeakPolarHBondContact O-CB 3.45Å; K603-E606 PolarHBondContact O-N 3.18Å; K603-E606 VanDerWaalsContact O-N 3.15Å; K603-F607 WeakPolarHBondContact O-CD2 3.42Å; K603-F607 PolarHBondContact O-N 2.99Å
604L91.2Very high91.6Very high0 Ų044.5 Ų44.50%026%0.264CS..Hα-helixtrans-58.2-39.7176.5-78.3176.9000112S443 L445 I468 I471 V473 F510 T561 T563 E606 F607 L608S443-L604 WeakPolarHBondContact OG-CG 3.41Å; S443-L604 PolarHBondContact OG-N 2.7Å; L445-L604 HydrophobicContact CD1-CD1 4.06Å; L445-L604 HydrophobicContact CD2-CD1 4.39Å; I468-L604 HydrophobicContact CD1-CD1 3.89Å; I471-L604 HydrophobicContact CD1-CB 3.96Å; I471-L604 HydrophobicContact CG2-CD1 4.43Å; V473-L604 HydrophobicContact CG2-CD1 3.93Å; F510-L604 HydrophobicContact CE1-CD2 3.99Å; F510-L604 HydrophobicContact CZ-CB 4.3Å; F510-L604 HydrophobicContact CZ-CD2 3.8Å; T561-L604 HydrophobicContact CG2-CD2 4.16Å; T563-L604 HydrophobicContact CG2-CD1 4.26Å; L604-E606 VanDerWaalsContact C-N 3.32Å; L604-E606 PolarHBondContact O-N 2.95Å; L604-F607 PolarHBondContact O-N 3.05Å; L604-L608 PolarHBondContact O-N 3.26Å
605S90.5Very high91.5Very high66 Ų6648.2 Ų48.246%0.46228%0.281SS..Hα-helixtrans-64-33.3178.554.60000113.5K603 F607K603-S605 PolarHBondContact O-N 3.06Å; S605-F607 VanDerWaalsContact C-N 3.32Å
606E92.3Very high91.8Very high112 Ų11247.1 Ų47.152%0.52327%0.27SS..Hα-helixtrans-69.9-31.7176.6-68.5167.3177.500111.8K603 L604K603-E606 HydrophobicContact CB-CB 4.35Å; K603-E606 HydrophobicContact CB-CG 3.94Å; K603-E606 PolarHBondContact N-OE2 2.82Å; K603-E606 VanDerWaalsContact N-OE2 3.07Å; K603-E606 WeakPolarHBondContact O-CB 3.45Å; K603-E606 PolarHBondContact O-N 3.18Å; K603-E606 VanDerWaalsContact O-N 3.15Å; L604-E606 VanDerWaalsContact C-N 3.32Å; L604-E606 PolarHBondContact O-N 2.95Å
607F94.5Very high91.5Very high4 Ų445.2 Ų45.22%0.01825%0.248CC..Hα-helixtrans-82.6-21.2-176.5-64.5-33.3000114.4Q441 T561 Q600 G602 K603 L604 S605 T609 T610 S611Q441-F607 HydrophobicContact CB-CD1 4.36Å; Q441-F607 HydrophobicContact CB-CD2 3.92Å; Q441-F607 HydrophobicContact CB-CE1 4.27Å; Q441-F607 HydrophobicContact CB-CE2 3.82Å; Q441-F607 HydrophobicContact CB-CG 4.17Å; Q441-F607 HydrophobicContact CB-CZ 3.99Å; Q441-F607 HydrophobicContact CG-CD1 4.11Å; Q441-F607 HydrophobicContact CG-CE1 4.05Å; Q441-F607 HydrophobicContact CG-CE2 4.48Å; Q441-F607 HydrophobicContact CG-CG 4.35Å; Q441-F607 HydrophobicContact CG-CZ 4.22Å; T561-F607 HydrophobicContact CG2-CB 4.3Å; T561-F607 HydrophobicContact CG2-CD2 4.01Å; Q600-F607 HydrophobicContact CG-CE1 4.06Å; Q600-F607 HydrophobicContact CG-CZ 4.22Å; Q600-F607 WeakPolarHBondContact O-CZ 3.2Å; G602-F607 VanDerWaalsContact CA-CZ 3.43Å; G602-F607 VanDerWaalsContact N-CZ 3.28Å; K603-F607 WeakPolarHBondContact O-CD2 3.42Å; K603-F607 PolarHBondContact O-N 2.99Å; L604-F607 PolarHBondContact O-N 3.05Å; S605-F607 VanDerWaalsContact C-N 3.32Å; F607-T609 PolarHBondContact O-N 3.48Å; F607-T610 PolarHBondContact O-N 3.49Å; F607-T610 PolarHBondContact O-OG1 2.85Å; F607-S611 WeakPolarHBondContact CB-OG 3.33Å; F607-S611 WeakPolarHBondContact O-CB 3.44Å; F607-S611 PolarHBondContact O-N 2.96Å; F607-S611 PolarHBondContact O-OG 2.98Å
608L90.7Very high91.1Very high62 Ų6247.6 Ų47.633%0.32526%0.257SS..THydrogen-bonded Turntrans-42.5-40-177.1-74.7174.7000115.1I471 F510 I517 L604I471-L608 HydrophobicContact CD1-CD1 4.06Å; I471-L608 HydrophobicContact CD1-CD2 3.93Å; I471-L608 HydrophobicContact CD1-CG 4.11Å; F510-L608 HydrophobicContact CD1-CD2 4.25Å; F510-L608 HydrophobicContact CD2-CD2 3.97Å; F510-L608 HydrophobicContact CE1-CD2 4.11Å; F510-L608 HydrophobicContact CE2-CD2 3.81Å; F510-L608 HydrophobicContact CE2-CG 4.45Å; F510-L608 HydrophobicContact CG-CD2 4.19Å; F510-L608 HydrophobicContact CZ-CD2 3.89Å; I517-L608 HydrophobicContact CD1-CD2 4.04Å; I517-L608 HydrophobicContact CG2-CD2 4.18Å; L604-L608 PolarHBondContact O-N 3.26Å
609T91.2Very high90.1Very high133 Ų13342.8 Ų42.882%0.81624%0.24SC*.THydrogen-bonded Turntrans-79.7-19.1-177.558.20000114.3F607F607-T609 PolarHBondContact O-N 3.48Å
610T93.3Very high88.9Confident54 Ų5446.1 Ų46.133%0.33126%0.258SS..THydrogen-bonded Turntrans-110.7-21-17555.20000113.4Q441 R559 F607Q441-T610 PolarHBondContact NE2-OG1 3.05Å; R559-T610 PolarHBondContact N-O 2.98Å; F607-T610 PolarHBondContact O-N 3.49Å; F607-T610 PolarHBondContact O-OG1 2.85Å
611S93.3Very high86.9Confident11 Ų1145.2 Ų45.28%0.07727%0.27CS..BIsolated β-bridgetrans-73.1157.1-179.3-60.30000112.2Q441 F510 R559 T561 F607Q441-S611 PolarHBondContact OE1-OG 3.47Å; F510-S611 VanDerWaalsContact CD2-CB 3.46Å; F510-S611 VanDerWaalsContact CE2-OG 3.32Å; F510-S611 WeakPolarHBondContact CE2-OG 3.24Å; R559-S611 WeakPolarHBondContact O-CA 3.42Å; T561-S611 VanDerWaalsContact OG1-CB 3.26Å; T561-S611 WeakPolarHBondContact OG1-CB 3.42Å; T561-S611 PolarHBondContact OG1-OG 3.08Å; F607-S611 WeakPolarHBondContact CB-OG 3.33Å; F607-S611 WeakPolarHBondContact O-CB 3.44Å; F607-S611 PolarHBondContact O-N 2.96Å; F607-S611 PolarHBondContact O-OG 2.98Å
612C92.2Very high84.6Confident6 Ų649.6 Ų49.64%0.04129%0.285CS..  trans-67.2139.5163.4-177.80000110.5K509 F510 W554 I556 T557 R559K509-C612 HydrophobicContact CB-CB 3.87Å; K509-C612 WeakPolarHBondContact CB-O 3.27Å; F510-C612 PolarHBondContact N-O 3.05Å; W554-C612 HydrophobicContact CH2-CB 4.31Å; W554-C612 HydrophobicContact CZ2-CB 3.56Å; I556-C612 WeakPolarHBondContact CG2-SG 3.46Å; T557-C612 WeakPolarHBondContact O-CB 3.3Å; T557-C612 PolarHBondContact O-SG 2.91Å; T557-C612 VanDerWaalsContact O-SG 3.34Å; R559-C612 PolarHBondContact O-N 3.41Å
613C91.4Very high81.9Confident59 Ų5951.8 Ų51.840%0.39931%0.308SS..EExtended strand (participates in β ladder)trans-135127.2178.7-1690000109.6F510 I512F510-C613 HydrophobicContact CB-CB 4.42Å; F510-C613 CarbonylContact O-C 3.54Å; F510-C613 WeakPolarHBondContact O-CA 3.35Å; I512-C613 VanDerWaalsContact CD1-SG 3.51Å
614A90.4Very high79Confident5 Ų554.2 Ų54.24%0.04133%0.333CS..EExtended strand (participates in β ladder)trans-110.2137.8177.200000110.7K509 F510 Y511 I512K509-A614 HydrophobicContact CD-CB 4.14Å; F510-A614 PolarHBondContact O-N 2.86Å; Y511-A614 CarbonylContact C-O 3.57Å; Y511-A614 VanDerWaalsContact CA-O 3.31Å; Y511-A614 WeakPolarHBondContact CA-O 3.38Å; Y511-A614 HydrophobicContact CD1-CB 3.87Å; Y511-A614 HydrophobicContact CE1-CB 3.89Å; I512-A614 PolarHBondContact N-O 2.99Å
615H88.3Confident76.1Confident85 Ų8557.9 Ų57.939%0.39437%0.371SS..EExtended strand (participates in β ladder)trans-102.6120.2177.5-166.6-78.4000110.4S617 D620H615-S617 PolarHBondContact ND1-N 3.18Å; H615-S617 PolarHBondContact O-N 2.75Å; H615-D620 IonicContact CE1-OD2 2.72Å
616L87Confident73.2Confident1 Ų160.2 Ų60.21%0.00539%0.387CS..  trans-101.868.3-179.3-54.9-173.3000110.9L479 I482 Y483 Y511 I512 I513 F618 L619L479-L616 HydrophobicContact CD1-CD1 4.42Å; I482-L616 HydrophobicContact CG2-CD1 3.72Å; Y483-L616 HydrophobicContact CE2-CD1 4.33Å; Y511-L616 HydrophobicContact CD1-CD1 3.65Å; Y511-L616 HydrophobicContact CD1-CD2 3.99Å; Y511-L616 HydrophobicContact CD1-CG 3.79Å; Y511-L616 HydrophobicContact CE1-CD1 4.13Å; Y511-L616 HydrophobicContact CE1-CD2 4.12Å; Y511-L616 HydrophobicContact CE1-CG 4.37Å; I512-L616 PolarHBondContact O-N 2.95Å; I513-L616 HydrophobicContact CD1-CD1 4.17Å; I513-L616 HydrophobicContact CG1-CB 4.08Å; I513-L616 HydrophobicContact CG1-CD1 4Å; I513-L616 HydrophobicContact CG1-CG 4.3Å; L616-F618 HydrophobicContact CB-CD1 4.29Å; L616-F618 HydrophobicContact CB-CE1 3.8Å; L616-F618 HydrophobicContact CB-CZ 4.33Å; L616-F618 HydrophobicContact CD1-CE1 4.48Å; L616-F618 HydrophobicContact CD2-CE1 3.95Å; L616-F618 HydrophobicContact CG-CE1 4.27Å; L616-F618 PolarHBondContact O-N 3.48Å; L616-L619 PolarHBondContact O-N 3.01Å
617S78.9Confident70.3Confident15 Ų1563 Ų6311%0.10540%0.402CS..G310 helixtrans-66.8-17.2-175.437.10000114.8P224 H615 L619 D620P224-S617 WeakPolarHBondContact CB-OG 3.45Å; P224-S617 PolarHBondContact O-OG 3.04Å; H615-S617 PolarHBondContact ND1-N 3.18Å; H615-S617 PolarHBondContact O-N 2.75Å; S617-L619 PolarHBondContact O-N 3.26Å; S617-L619 VanDerWaalsContact O-N 3.1Å; S617-D620 WeakPolarHBondContact CA-OD2 3.48Å; S617-D620 WeakPolarHBondContact O-CB 3.47Å; S617-D620 PolarHBondContact O-N 2.86Å; S617-D620 VanDerWaalsContact O-N 3.1Å
618F81.3Confident67.1Low53 Ų5366.2 Ų66.223%0.23244%0.436CS..G310 helixtrans-66-10.7179.165.8-93.4000113.6I482 R485 L486 L616I482-F618 HydrophobicContact CG2-CZ 4.13Å; R485-F618 HydrophobicContact CB-CE2 4.49Å; L486-F618 HydrophobicContact CB-CE1 4.49Å; L486-F618 HydrophobicContact CB-CE2 4.15Å; L486-F618 HydrophobicContact CB-CZ 4.12Å; L486-F618 HydrophobicContact CD1-CB 4.38Å; L486-F618 HydrophobicContact CD1-CD1 3.62Å; L486-F618 HydrophobicContact CD1-CD2 4.25Å; L486-F618 HydrophobicContact CD1-CE1 3.85Å; L486-F618 HydrophobicContact CD1-CE2 4.47Å; L486-F618 HydrophobicContact CD1-CG 3.83Å; L486-F618 HydrophobicContact CD1-CZ 4.28Å; L616-F618 HydrophobicContact CB-CD1 4.29Å; L616-F618 HydrophobicContact CB-CE1 3.8Å; L616-F618 HydrophobicContact CB-CZ 4.33Å; L616-F618 HydrophobicContact CD1-CE1 4.48Å; L616-F618 HydrophobicContact CD2-CE1 3.95Å; L616-F618 HydrophobicContact CG-CE1 4.27Å; L616-F618 PolarHBondContact O-N 3.48Å
619L74.1Confident64.2Low11 Ų1174.3 Ų74.36%0.05846%0.463CS..G310 helixtrans-94.8-6.7174.8-68.6179.6000114.5I482 I513 R514 L616 S617 G621 L663I482-L619 HydrophobicContact CG1-CD1 4.45Å; I482-L619 HydrophobicContact CG2-CD1 3.73Å; I513-L619 HydrophobicContact CG2-CB 4.34Å; I513-L619 HydrophobicContact CG2-CD1 3.66Å; R514-L619 PolarHBondContact NE-O 3.01Å; R514-L619 VanDerWaalsContact NE-O 3.16Å; R514-L619 PolarHBondContact NH2-O 3.07Å; L616-L619 PolarHBondContact O-N 3.01Å; S617-L619 PolarHBondContact O-N 3.26Å; S617-L619 VanDerWaalsContact O-N 3.1Å; L619-G621 PolarHBondContact O-N 3.44Å; L619-L663 HydrophobicContact CD1-CD1 4.36Å
620D69.3Low61.2Low79 Ų7977.2 Ų77.242%0.42247%0.467SS..SBendtrans-78.83.4-173.8-64-25.2000113.5R514 H615 S617R514-D620 VanDerWaalsContact CA-OD1 3.27Å; R514-D620 WeakPolarHBondContact CA-OD1 3.31Å; R514-D620 WeakPolarHBondContact CG-OD1 3.48Å; R514-D620 PolarHBondContact N-OD1 3.21Å; R514-D620 VanDerWaalsContact N-OD1 3.15Å; H615-D620 IonicContact CE1-OD2 2.72Å; S617-D620 WeakPolarHBondContact CA-OD2 3.48Å; S617-D620 WeakPolarHBondContact O-CB 3.47Å; S617-D620 PolarHBondContact O-N 2.86Å; S617-D620 VanDerWaalsContact O-N 3.1Å
621G54.7Low58.1Low60 Ų6078 Ų7862%0.61949%0.486SS*.  trans118.1111165.500000114.6L619 G623L619-G621 PolarHBondContact O-N 3.44Å; G621-G623 PolarHBondContact O-N 2.97Å
622K46.8Very low55Low134 Ų13485.6 Ų85.658%0.58353%0.525SS*.  trans-86.284.8145.3-73.2-176.9-179175.20105.7D163 S624D163-K622 IonicContact OD1-NZ 3.61Å; D163-K622 IonicContact OD2-NZ 3.73Å; D163-K622 PolarHBondContact OD2-NZ 3.33Å; K622-S624 PolarHBondContact O-N 2.98Å
623G36Very low52.1Low69 Ų6993.5 Ų93.571%0.71156%0.562SS**  trans-54.5134.4175.100000109.8G621 G625G621-G623 PolarHBondContact O-N 2.97Å; G623-G625 PolarHBondContact O-N 3.45Å; G623-G625 VanDerWaalsContact O-N 3.09Å
624S31.8Very low49.2Very low120 Ų120102 Ų10284%0.83959%0.587SS**  trans-52.3121.9166.167.30000106.8K622 S626K622-S624 PolarHBondContact O-N 2.98Å; S624-S626 VanDerWaalsContact C-N 3.33Å; S624-S626 PolarHBondContact O-N 2.98Å
625G31Very low46.2Very low76 Ų76108.9 Ų108.978%0.78462%0.623SS**  trans-60.494.7-177.600000110.9G623 M627G623-G625 PolarHBondContact O-N 3.45Å; G623-G625 VanDerWaalsContact O-N 3.09Å; G625-M627 PolarHBondContact O-N 3.44Å
626S29.2Very low43.4Very low116 Ų116112.3 Ų112.381%0.81164%0.644SS**  trans-70.986.9148.3-175.30000105.5S624 G628S624-S626 VanDerWaalsContact C-N 3.33Å; S624-S626 PolarHBondContact O-N 2.98Å; S626-G628 PolarHBondContact O-N 2.82Å
627M30.3Very low40.7Very low171 Ų171118.8 Ų118.884%0.84268%0.679SS**  trans-65.4104.2167.7-158.5166.4-168.100105.5G625 R629G625-M627 PolarHBondContact O-N 3.44Å; M627-R629 VanDerWaalsContact C-N 3.34Å; M627-R629 PolarHBondContact O-N 3.46Å
628G27.8Very low38.5Very low71 Ų71125.7 Ų125.773%0.73272%0.715SS**  trans-55.298.2172.800000109.4S626 H630S626-G628 PolarHBondContact O-N 2.82Å; G628-H630 PolarHBondContact O-N 3.28Å
629R29.1Very low36.1Very low232 Ų232130.7 Ų130.788%0.87574%0.744SS**  trans-81.2110.8165.2-84-171.9171.8-163.5-1.3107M627 G631M627-R629 VanDerWaalsContact C-N 3.34Å; M627-R629 PolarHBondContact O-N 3.46Å; R629-G631 PolarHBondContact O-N 3.05Å
630H29.6Very low34.1Very low194 Ų194138.3 Ų138.390%0.89879%0.785SS**PPolyproline II helixtrans-48.9117.6151.1-86.1-78.7000107.9G628G628-H630 PolarHBondContact O-N 3.28Å
631G28.3Very low32.2Very low71 Ų71140.7 Ų140.773%0.73280%0.798SS**PPolyproline II helixtrans-81.4117.3176.300000110.2R629R629-G631 PolarHBondContact O-N 3.05Å
632D28.5Very low31Very low170 Ų170145 Ų14591%0.90981%0.806SS**PPolyproline II helixtrans-95.4124.7146.6-82.9-30.8000107.2
633Q31.1Very low29.9Very low172 Ų172142.1 Ų142.180%0.80482%0.815SS**PPolyproline II helixtrans-57.8137.5175.2-80.6154.7-22.800111.8
634Y29Very low29.4Very low237 Ų237147 Ų14793%0.92983%0.825SS**  -153.5127.9128.9-84-69.7000109.2
635D28.8Very low29.2Very low149 Ų149143.7 Ų143.780%0.79781%0.81SS**  trans-63.3146169-64-50.2000111.2
636D29.5Very low28.9Very low158 Ų158151.7 Ų151.785%0.84582%0.818SS**  -166142.9122.1-115.1-18.7000111.5
637D30.5Very low28.7Very low137 Ų137155 Ų15573%0.73382%0.823SS**  trans-66.4151.1-172.3-66.3-53.9000114.9
638D31.1Very low28.4Very low159 Ų159154.8 Ų154.885%0.8582%0.819SS**  166.6116.2111.6-90.8-26.2000110.5
639D32.4Very low28.2Very low159 Ų159159.5 Ų159.585%0.8582%0.822SS**  trans-77.5133.2159.5-81.1-44.5000108.6
640D31.4Very low28Very low171 Ų171156.8 Ų156.891%0.91482%0.824SS**  trans-162.2157.4140.7-106.2-24.5000112.1
641D29.4Very low27.7Very low129 Ų129157.8 Ų157.869%0.6982%0.82SS**  trans-98.6162.1-145.3-17023.6000114.6
642D28.5Very low27.6Very low150 Ų150160.8 Ų160.880%0.80283%0.828SS**  trans67126.7154.4-89.1-24.3000123.1
643G25.5Very low27.8Very low74 Ų74158.2 Ų158.276%0.76382%0.815SS**  trans153.768.515400000119.6
644D24.6Very low27.9Very low171 Ų171157 Ų15791%0.91481%0.814SS**  trans44.5125.6142-150.613.8000122.8
645G27.1Very low28.4Very low51 Ų51154.1 Ų154.153%0.52681%0.809SS.*  trans93.2104141.200000117.8
646Y24.3Very low29.2Very low244 Ų244149 Ų14996%0.95779%0.787SS**  -173.7134.3126.3-94.1-69.4000110.1H648Y646-H648 PolarHBondContact O-N 3.21Å
647M26.2Very low30.4Very low185 Ų185145.7 Ų145.791%0.91177%0.769SS**  trans-40.9123.6-176-74.2-176.1170.100115.1E649M647-E649 PolarHBondContact O-N 3.22Å
648H24.1Very low31.7Very low167 Ų167143.3 Ų143.377%0.77376%0.757SS**  trans-82.5104.5158.5-150.8-38.2000108.3Y646 L650Y646-H648 PolarHBondContact O-N 3.21Å; H648-L650 PolarHBondContact O-N 2.92Å
649E23.5Very low33.2Very low170 Ų170137.2 Ų137.279%0.79472%0.724SS**  trans-54.6121.4157.9-83.8178.3146.300108.2M647 R651M647-E649 PolarHBondContact O-N 3.22Å; E649-R651 PolarHBondContact O-N 3.07Å
650L24.3Very low34.6Very low174 Ų174130.4 Ų130.491%0.91169%0.69SS**  trans-60.6105.8172.5-77.4152000108.9H648H648-L650 PolarHBondContact O-N 2.92Å
651R23.7Very low36.1Very low215 Ų215126 Ų12681%0.81166%0.664SS**  trans-67.5127.4165-76.8-177.6174.2179.9-0.7108.8E649 D653E649-R651 PolarHBondContact O-N 3.07Å; R651-D653 PolarHBondContact O-N 3.15Å; R651-D653 VanDerWaalsContact O-N 3.09Å
652C27.1Very low37.8Very low135 Ų135122.1 Ų122.191%0.91264%0.64SS**SBendtrans-64.498.7163.7-95.60000109.5
653D31.8Very low39.5Very low116 Ų116115.1 Ų115.162%0.6260%0.602SS**  trans-143.28.9165.9-107.5-24.8000114.3R651R651-D653 PolarHBondContact O-N 3.15Å; R651-D653 VanDerWaalsContact O-N 3.09Å
654D33.4Very low41.5Very low147 Ų147115.2 Ų115.279%0.78659%0.585SS**THydrogen-bonded Turntrans-87.8-14.9-171.4-94.3-18.6000116.7A656D654-A656 PolarHBondContact O-N 3.43Å; D654-A656 VanDerWaalsContact O-N 3.13Å
655E40.5Very low43.5Very low176 Ų176112.3 Ų112.382%0.82257%0.566SS**Hα-helixtrans-70.2-9.8177.4-70.7-169.6176.300113.4D657E655-D657 VanDerWaalsContact C-N 3.33Å; E655-D657 PolarHBondContact O-N 3.42Å
656A44Very low45.1Very low42 Ų42111.6 Ų111.635%0.34755%0.55SS..Hα-helixtrans-71.5-26-176.100000113.3R485 D654R485-A656 PolarHBondContact NH2-O 2.87Å; D654-A656 PolarHBondContact O-N 3.43Å; D654-A656 VanDerWaalsContact O-N 3.13Å
657D55.9Low46.9Very low87 Ų87101.8 Ų101.847%0.46551%0.514SS..Hα-helixtrans-90.4-32.5-172.9-148.43.2000112.5E655 L659 A660 Q661E655-D657 VanDerWaalsContact C-N 3.33Å; E655-D657 PolarHBondContact O-N 3.42Å; D657-L659 PolarHBondContact O-N 3.2Å; D657-A660 PolarHBondContact O-N 3.23Å; D657-Q661 HydrophobicContact CB-CG 4.44Å; D657-Q661 WeakPolarHBondContact O-CB 3.34Å; D657-Q661 VanDerWaalsContact O-CG 3.29Å; D657-Q661 WeakPolarHBondContact O-CG 3.47Å; D657-Q661 PolarHBondContact O-N 3.04Å; D657-Q661 PolarHBondContact OD2-NE2 2.98Å
658D57.1Low48.2Very low87 Ų8796.4 Ų96.447%0.46550%0.499SS..Hα-helixtrans-58.7-44.1-170.6-70-15.7000115.8Y662D658-Y662 VanDerWaalsContact O-CB 3.24Å; D658-Y662 WeakPolarHBondContact O-CB 3.22Å; D658-Y662 PolarHBondContact O-N 2.92Å
659L62.8Low49.5Very low31 Ų3195.4 Ų95.416%0.16249%0.494CS..Hα-helixtrans-76.3-28.5178.5173.672.3000112H481 D657 Y662 L663H481-L659 HydrophobicContact CB-CD2 3.92Å; D657-L659 PolarHBondContact O-N 3.2Å; L659-Y662 HydrophobicContact CD1-CD1 4.07Å; L659-L663 VanDerWaalsContact O-CG 3.32Å; L659-L663 WeakPolarHBondContact O-CG 3.24Å; L659-L663 PolarHBondContact O-N 3.19Å
660A62.1Low50.3Low16 Ų1690.6 Ų90.613%0.13248%0.479CS..Hα-helixtrans-70.3-49.5173.400000109.4D657 Y662 L663 D664D657-A660 PolarHBondContact O-N 3.23Å; A660-Y662 VanDerWaalsContact C-N 3.29Å; A660-Y662 PolarHBondContact O-N 3.04Å; A660-L663 PolarHBondContact O-N 3.24Å; A660-L663 VanDerWaalsContact O-N 3.17Å; A660-D664 WeakPolarHBondContact O-CB 3.46Å; A660-D664 VanDerWaalsContact O-CG 3.3Å; A660-D664 PolarHBondContact O-N 2.81Å; A660-D664 VanDerWaalsContact O-OD2 3.05Å
661Q61.5Low50.7Low79 Ų7987 Ų8737%0.36947%0.468SS..Hα-helixtrans-55.3-40.6170.9-69.5179.91300112.2D657 D664 H665D657-Q661 HydrophobicContact CB-CG 4.44Å; D657-Q661 WeakPolarHBondContact O-CB 3.34Å; D657-Q661 VanDerWaalsContact O-CG 3.29Å; D657-Q661 WeakPolarHBondContact O-CG 3.47Å; D657-Q661 PolarHBondContact O-N 3.04Å; D657-Q661 PolarHBondContact OD2-NE2 2.98Å; Q661-D664 CarbonylContact O-C 3.6Å; Q661-D664 PolarHBondContact O-N 3.15Å; Q661-H665 VanDerWaalsContact O-CB 3.3Å; Q661-H665 WeakPolarHBondContact O-CB 3.45Å; Q661-H665 PolarHBondContact O-CD2 3.15Å; Q661-H665 PolarHBondContact O-N 3.04Å
662Y65.2Low51.2Low48 Ų4882.9 Ų82.919%0.18847%0.47CS..Hα-helixtrans-63.8-46.2176173.6-112.3000112.5Q474 V478 D658 L659 A660 D664 H665 L666 F685Q474-Y662 PolarHBondContact OE1-OH 3.04Å; V478-Y662 HydrophobicContact CG1-CE1 4.49Å; D658-Y662 VanDerWaalsContact O-CB 3.24Å; D658-Y662 WeakPolarHBondContact O-CB 3.22Å; D658-Y662 PolarHBondContact O-N 2.92Å; L659-Y662 HydrophobicContact CD1-CD1 4.07Å; A660-Y662 VanDerWaalsContact C-N 3.29Å; A660-Y662 PolarHBondContact O-N 3.04Å; Y662-D664 VanDerWaalsContact C-N 3.31Å; Y662-H665 PolarHBondContact O-N 3.14Å; Y662-L666 HydrophobicContact CD1-CD1 3.91Å; Y662-L666 HydrophobicContact CD2-CG 4.48Å; Y662-L666 HydrophobicContact CE1-CD1 3.31Å; Y662-L666 HydrophobicContact CE1-CG 4.21Å; Y662-L666 HydrophobicContact CE2-CD1 3.97Å; Y662-L666 HydrophobicContact CE2-CD2 4.5Å; Y662-L666 HydrophobicContact CE2-CG 3.97Å; Y662-L666 WeakPolarHBondContact O-CB 3.39Å; Y662-L666 PolarHBondContact O-N 3.48Å; Y662-F685 AromaticContact CD1-CZ 3.88Å; Y662-F685 HydrophobicContact CD1-CZ 3.88Å; Y662-F685 HydrophobicContact CD2-CE1 4.47Å; Y662-F685 AromaticContact CD2-CE2 3.77Å; Y662-F685 HydrophobicContact CD2-CE2 3.77Å; Y662-F685 AromaticContact CD2-CZ 3.38Å; Y662-F685 HydrophobicContact CD2-CZ 3.38Å; Y662-F685 HydrophobicContact CE1-CE2 4.2Å; Y662-F685 AromaticContact CE1-CZ 3.77Å; Y662-F685 HydrophobicContact CE1-CZ 3.77Å; Y662-F685 AromaticContact CE2-CE2 3.22Å; Y662-F685 HydrophobicContact CE2-CE2 3.22Å; Y662-F685 AromaticContact CE2-CZ 3.29Å; Y662-F685 HydrophobicContact CE2-CZ 3.29Å; Y662-F685 HydrophobicContact CG-CE2 4.45Å; Y662-F685 AromaticContact CG-CZ 3.66Å; Y662-F685 HydrophobicContact CG-CZ 3.66Å; Y662-F685 AromaticContact CZ-CE2 3.44Å; Y662-F685 VanDerWaalsContact CZ-CE2 3.44Å; Y662-F685 AromaticContact CZ-CZ 3.47Å; Y662-F685 VanDerWaalsContact CZ-CZ 3.47Å
663L65.6Low51.3Low3 Ų385 Ų852%0.01647%0.466CS..Hα-helixtrans-62.9-41.5174.6-71.1171.9000110.4L619 L659 A660 L666 L667L619-L663 HydrophobicContact CD1-CD1 4.36Å; L659-L663 VanDerWaalsContact O-CG 3.32Å; L659-L663 WeakPolarHBondContact O-CG 3.24Å; L659-L663 PolarHBondContact O-N 3.19Å; A660-L663 PolarHBondContact O-N 3.24Å; A660-L663 VanDerWaalsContact O-N 3.17Å; L663-L666 HydrophobicContact CD2-CD1 4.48Å; L663-L666 WeakPolarHBondContact O-CB 3.43Å; L663-L666 PolarHBondContact O-N 3.48Å; L663-L667 WeakPolarHBondContact O-CB 3.36Å; L663-L667 WeakPolarHBondContact O-CG 3.4Å; L663-L667 PolarHBondContact O-N 3.22Å
664D66.4Low51.6Low76 Ų7689.8 Ų89.841%0.40648%0.481SS..Hα-helixtrans-66-37.3176.8-71.2-39.3000112.1R514 A660 Q661 Y662 L667 A668R514-D664 IonicContact CZ-OD1 3.2Å; R514-D664 IonicContact NH1-OD1 3.36Å; R514-D664 PolarHBondContact NH1-OD1 3.07Å; R514-D664 IonicContact NH1-OD2 3.54Å; R514-D664 PolarHBondContact NH1-OD2 3.4Å; A660-D664 WeakPolarHBondContact O-CB 3.46Å; A660-D664 VanDerWaalsContact O-CG 3.3Å; A660-D664 PolarHBondContact O-N 2.81Å; A660-D664 VanDerWaalsContact O-OD2 3.05Å; Q661-D664 CarbonylContact O-C 3.6Å; Q661-D664 PolarHBondContact O-N 3.15Å; Y662-D664 VanDerWaalsContact C-N 3.31Å; D664-L667 PolarHBondContact O-N 2.74Å; D664-A668 WeakPolarHBondContact O-CB 3.26Å; D664-A668 PolarHBondContact O-N 3.29Å
665H66.3Low51.2Low109 Ų10987.9 Ų87.951%0.50548%0.48SS..Hα-helixtrans-65-44.3171.6-84.9-61.3000112Q661 Y662 L667 A668 H669Q661-H665 VanDerWaalsContact O-CB 3.3Å; Q661-H665 WeakPolarHBondContact O-CB 3.45Å; Q661-H665 PolarHBondContact O-CD2 3.15Å; Q661-H665 PolarHBondContact O-N 3.04Å; Y662-H665 PolarHBondContact O-N 3.14Å; H665-L667 PolarHBondContact O-N 2.96Å; H665-A668 PolarHBondContact O-N 3.46Å; H665-H669 PolarHBondContact O-CD2 2.77Å; H665-H669 PolarHBondContact O-N 2.74Å
666L61.5Low50.7Low37 Ų3789.3 Ų89.319%0.19448%0.483CS..Hα-helixtrans-59.5-38.3174.2-84172000111.7Y662 L663Y662-L666 HydrophobicContact CD1-CD1 3.91Å; Y662-L666 HydrophobicContact CD2-CG 4.48Å; Y662-L666 HydrophobicContact CE1-CD1 3.31Å; Y662-L666 HydrophobicContact CE1-CG 4.21Å; Y662-L666 HydrophobicContact CE2-CD1 3.97Å; Y662-L666 HydrophobicContact CE2-CD2 4.5Å; Y662-L666 HydrophobicContact CE2-CG 3.97Å; Y662-L666 WeakPolarHBondContact O-CB 3.39Å; Y662-L666 PolarHBondContact O-N 3.48Å; L663-L666 HydrophobicContact CD2-CD1 4.48Å; L663-L666 WeakPolarHBondContact O-CB 3.43Å; L663-L666 PolarHBondContact O-N 3.48Å
667L61.4Low50.3Low37 Ų3799.2 Ų99.219%0.19451%0.512CS..Hα-helixtrans-80.5-31.6-179.1-66.8171.4000113R514 T516 L663 D664 H665 S670R514-L667 HydrophobicContact CB-CD1 4.21Å; T516-L667 HydrophobicContact CG2-CD2 3.87Å; T516-L667 WeakPolarHBondContact OG1-CD2 3.46Å; L663-L667 WeakPolarHBondContact O-CB 3.36Å; L663-L667 WeakPolarHBondContact O-CG 3.4Å; L663-L667 PolarHBondContact O-N 3.22Å; D664-L667 PolarHBondContact O-N 2.74Å; H665-L667 PolarHBondContact O-N 2.96Å; L667-S670 WeakPolarHBondContact O-CB 3.25Å; L667-S670 PolarHBondContact O-OG 2.98Å
668A54.8Low48.9Very low72 Ų72104.4 Ų104.460%0.59553%0.533SS*.Hα-helixtrans-75-25.3-178.400000113.8D664 H665 S670D664-A668 WeakPolarHBondContact O-CB 3.26Å; D664-A668 PolarHBondContact O-N 3.29Å; H665-A668 PolarHBondContact O-N 3.46Å; A668-S670 PolarHBondContact O-N 3.08Å; A668-S670 VanDerWaalsContact O-N 3.17Å
669H51.5Low47.8Very low147 Ų147105.5 Ų105.568%0.68156%0.555SS**THydrogen-bonded Turntrans-80.620.2177.4-73.2-57.8000114.4H665 S671H665-H669 PolarHBondContact O-CD2 2.77Å; H665-H669 PolarHBondContact O-N 2.74Å; H669-S671 VanDerWaalsContact C-N 3.29Å; H669-S671 PolarHBondContact O-N 3.06Å
670S39.5Very low46.3Very low69 Ų69107.4 Ų107.448%0.48358%0.582SS.*  trans-80.18.9-175.347.20000115.6L667 A668L667-S670 WeakPolarHBondContact O-CB 3.25Å; L667-S670 PolarHBondContact O-OG 2.98Å; A668-S670 PolarHBondContact O-N 3.08Å; A668-S670 VanDerWaalsContact O-N 3.17Å
671S32.5Very low44.9Very low97 Ų97110.5 Ų110.568%0.67862%0.615SS**SBendtrans-109.8115.1171.6-560000110.3H669 E673H669-S671 VanDerWaalsContact C-N 3.29Å; H669-S671 PolarHBondContact O-N 3.06Å; S671-E673 PolarHBondContact O-N 3.22Å
672P35.2Very low43.6Very low130 Ų130112.4 Ų112.484%0.84463%0.627SS**  trans-78.392.7-175.530.1-31.7000110.8
673E28.6Very low42.2Very low179 Ų179113 Ų11384%0.83665%0.648SS**  trans-80.2118.3154.3-78.4-153.115800109.2S671 S675S671-E673 PolarHBondContact O-N 3.22Å; E673-S675 VanDerWaalsContact C-N 3.31Å; E673-S675 PolarHBondContact O-N 3.43Å
674K37.1Very low40.5Very low216 Ų216124.3 Ų124.394%0.93969%0.69SS**  trans-6490169.2-74.1-176.8176.6178.30109.3
675S26.1Very low38.8Very low108 Ų108127.1 Ų127.176%0.75570%0.699SS**  trans-103.5143.5165.974.90000110.9E673E673-S675 VanDerWaalsContact C-N 3.31Å; E673-S675 PolarHBondContact O-N 3.43Å
676K29.2Very low37.1Very low206 Ų206131.6 Ų131.690%0.89672%0.717SS**  trans-69.2139.7-171.2-70.8173.5176.4174.80111.8
677R35.9Very low35.6Very low249 Ų249134.4 Ų134.494%0.9475%0.745SS**  trans10.4108.7159.6-75.1-178.1172.9177.4-3.9116.5
678Q26.8Very low33.9Very low196 Ų196136.3 Ų136.392%0.91677%0.767SS**  trans-132.4124.5142.8-99.4-178-9.400108.8
679A34.7Very low32.6Very low111 Ų111137.5 Ų137.592%0.91778%0.776SS**  trans-72.1136166.600000108.7
680G31.4Very low31.5Very low71 Ų71136.9 Ų136.973%0.73278%0.783SS**  trans139.251.1172.200000115L682G680-L682 PolarHBondContact O-N 3.01Å
681G31.8Very low30.8Very low80 Ų80143.2 Ų143.283%0.82580%0.802SS**THydrogen-bonded Turntrans-91.760.5174.900000113.3
682L34.3Very low30.4Very low120 Ų120145.8 Ų145.863%0.62881%0.814SS**THydrogen-bonded Turntrans-167.622.4159.3-130.9113.7000113G680G680-L682 PolarHBondContact O-N 3.01Å
683G34.9Very low30Very low61 Ų61148.8 Ų148.863%0.62981%0.813SS**  trans-98.3-1.4-168.300000116.7
684R30.9Very low29.8Very low239 Ų239149.4 Ų149.490%0.90282%0.816SS**SBendtrans-102.55.4-171.2-86.9-175.7173.1179.9-2.6116.6
685F30.9Very low29.2Very low135 Ų135147.1 Ų147.159%0.59281%0.811SS**SBendtrans-107.214.2173.6-84.3-78.2000114.4Y662 A687Y662-F685 AromaticContact CD1-CZ 3.88Å; Y662-F685 HydrophobicContact CD1-CZ 3.88Å; Y662-F685 HydrophobicContact CD2-CE1 4.47Å; Y662-F685 AromaticContact CD2-CE2 3.77Å; Y662-F685 HydrophobicContact CD2-CE2 3.77Å; Y662-F685 AromaticContact CD2-CZ 3.38Å; Y662-F685 HydrophobicContact CD2-CZ 3.38Å; Y662-F685 HydrophobicContact CE1-CE2 4.2Å; Y662-F685 AromaticContact CE1-CZ 3.77Å; Y662-F685 HydrophobicContact CE1-CZ 3.77Å; Y662-F685 AromaticContact CE2-CE2 3.22Å; Y662-F685 HydrophobicContact CE2-CE2 3.22Å; Y662-F685 AromaticContact CE2-CZ 3.29Å; Y662-F685 HydrophobicContact CE2-CZ 3.29Å; Y662-F685 HydrophobicContact CG-CE2 4.45Å; Y662-F685 AromaticContact CG-CZ 3.66Å; Y662-F685 HydrophobicContact CG-CZ 3.66Å; Y662-F685 AromaticContact CZ-CE2 3.44Å; Y662-F685 VanDerWaalsContact CZ-CE2 3.44Å; Y662-F685 AromaticContact CZ-CZ 3.47Å; Y662-F685 VanDerWaalsContact CZ-CZ 3.47Å; F685-A687 VanDerWaalsContact C-N 3.28Å; F685-A687 PolarHBondContact O-N 2.89Å
686K30.9Very low29.2Very low204 Ų204146.8 Ų146.889%0.88780%0.804SS**SBendtrans-85.610.1-178.8-129.8178.3-175.3179.80114.4
687A28.7Very low29.2Very low95 Ų95142.2 Ų142.279%0.78580%0.798SS**SBendtrans-140.859.8-174.800000112.6F685F685-A687 VanDerWaalsContact C-N 3.28Å; F685-A687 PolarHBondContact O-N 2.89Å
688A26.2Very low28.7Very low78 Ų78138.2 Ų138.265%0.64580%0.795SS**SBendtrans-162.940.1165.300000112.1
689A27Very low28.7Very low96 Ų96136.9 Ų136.979%0.79379%0.791SS**  trans-147.843.3-177.500000113.1
690T28Very low28.5Very low134 Ų134139.3 Ų139.382%0.82279%0.788SS**  trans-138.580.4175.8400000111.1
691K26.3Very low28.6Very low203 Ų203145.4 Ų145.488%0.88380%0.795SS**  trans-166.384.9154.9-122.5179.3-176.4-178.30113.9
692T24.2Very low28.4Very low151 Ų151146.5 Ų146.593%0.92680%0.795SS**  trans-154.285.9141.2-23.30000110.7
693K26.1Very low28.2Very low192 Ų192150 Ų15084%0.83581%0.809SS**  trans-86.8121.3156.1-118.2178.3-179.1175.90105.7
694E25.2Very low28Very low192 Ų192154.4 Ų154.490%0.89782%0.818SS**  -178138.1111.1-98.2177.7-169.300111.9
695M24.4Very low28.3Very low169 Ų169151.4 Ų151.483%0.83382%0.819SS**  trans-120.4157.2-176.9-175.9-173.25500105.9
696V25.7Very low28.6Very low100 Ų100152 Ų15261%0.60683%0.828SS**  trans92.995.3158.4-161.30000116.6
697S28.4Very low28.4Very low110 Ų110150 Ų15077%0.76983%0.826SS**SBend-157.287.5125.2170.70000109.5
698L26.7Very low28.2Very low165 Ų165153.5 Ų153.586%0.86483%0.825SS**  trans-163.632.3160-106.7151000111.9N700L698-N700 PolarHBondContact O-N 3.08Å
699M26.4Very low28.2Very low169 Ų169157.1 Ų157.183%0.83383%0.834SS**  trans-9625.2-176.1-137.4173.9177.800113.6
700N31Very low28Very low162 Ų162158.6 Ų158.687%0.86683%0.832SS**SBendtrans-123.523.3-175.5-85.2-12.5000115.5L698L698-N700 PolarHBondContact O-N 3.08Å
701K33.1Very low27.9Very low199 Ų199159.6 Ų159.687%0.86583%0.833SS**SBendtrans-140.945.6179.3-82.1-167.7175.9179.20115.7
702A28.3Very low28Very low102 Ų102158.2 Ų158.284%0.84383%0.832SS**  trans-139.537.9175.100000113.7
703Q28.9Very low28.1Very low195 Ų195158.8 Ų158.891%0.91182%0.818SS**SBendtrans-106.511.3176.4-111.7-179.3-5.500114.9
704D30.4Very low28.1Very low153 Ų153155.5 Ų155.582%0.81881%0.809SS**  trans-120.37.2-165.3-94-11.2000118.4
705L37.4Very low28.4Very low175 Ų175150.2 Ų150.292%0.91679%0.791SS**  trans-125.280.5-175.3-65.7171.9000113.2
706N37.9Very low28.9Very low148 Ų148146 Ų14679%0.79178%0.779SS**  trans-83104.6179.7-151.38.1000110.8
707I26.7Very low29.7Very low163 Ų163147 Ų14784%0.83678%0.775SS**  trans-139.3132172.3-59.3-178.7000111.6
708H24Very low30.2Very low167 Ų167144 Ų14477%0.77375%0.75SS**  trans-92.3157.6-176.2-82.8-70.6000114.7
709N25.4Very low31.2Very low155 Ų155138.3 Ų138.383%0.82972%0.718SS**  trans83.585.1163.9-87.2-21.5000118.9
710V24.3Very low32Very low126 Ų126138.7 Ų138.776%0.76471%0.71SS**  trans-107.591.9162.7-179.90000108
711N26Very low32.4Very low156 Ų156134.9 Ų134.983%0.83470%0.696SS**  trans-160.177.9164.6-93.6-33.4000109.5
712M26.6Very low32.6Very low174 Ų174130.7 Ų130.786%0.85769%0.691SS**  trans-168.476.9155.6-108.2-171.477.900109.9
713Y27.3Very low33.2Very low163 Ų163133.3 Ų133.364%0.63969%0.686SS**SBendtrans-141139.2164.1-71.9-77.5000108.9P858Y713-P858 HydrophobicContact CE1-CG 3.93Å
714L26.9Very low34Very low122 Ų122125.2 Ų125.264%0.63965%0.65SS**SBendtrans-51.5152.2168-91114.1000110.4S716L714-S716 PolarHBondContact O-N 3.26Å
715P31.4Very low34.7Very low82 Ų82121.1 Ų121.153%0.53263%0.634SS.*  trans-65.7110-146.5-8.418.9000112.6K717P715-K717 HydrophobicContact CB-CB 3.86Å; P715-K717 HydrophobicContact CB-CD 4.1Å; P715-K717 HydrophobicContact CB-CG 3.79Å; P715-K717 PolarHBondContact O-N 2.87Å
716S33.5Very low35.1Very low81 Ų81113.6 Ų113.657%0.56659%0.594SS**G310 helixtrans-60.47.4154.942.80000113.2L714 L718L714-S716 PolarHBondContact O-N 3.26Å; S716-L718 VanDerWaalsContact C-N 3.25Å; S716-L718 PolarHBondContact O-N 3.01Å
717K42.3Very low35.6Very low121 Ų121112.3 Ų112.353%0.52659%0.587SS.*G310 helixtrans-69.4-16.7-178.7-62.4-174.2-178.6-176.70113.6P715 F719P715-K717 HydrophobicContact CB-CB 3.86Å; P715-K717 HydrophobicContact CB-CD 4.1Å; P715-K717 HydrophobicContact CB-CG 3.79Å; P715-K717 PolarHBondContact O-N 2.87Å; K717-F719 VanDerWaalsContact C-N 3.27Å; K717-F719 PolarHBondContact O-N 3.15Å
718L40.6Very low36.4Very low47 Ų47107.7 Ų107.725%0.24656%0.564CS.*G310 helixtrans-66.1-24.7-179.4-67.2175.7000114.2S716 G937 T941S716-L718 VanDerWaalsContact C-N 3.25Å; S716-L718 PolarHBondContact O-N 3.01Å; L718-G937 VanDerWaalsContact CD2-C 3.47Å; L718-G937 VanDerWaalsContact CD2-CA 3.42Å; L718-T941 WeakPolarHBondContact O-CB 3.27Å; L718-T941 WeakPolarHBondContact O-CG2 3.42Å; L718-T941 PolarHBondContact O-OG1 3.19Å
719F45.9Very low37.2Very low44 Ų44107.6 Ų107.619%0.19357%0.569CS.*G310 helixtrans-124.951.8-179.9-57.1-76.2000110.3K717 L856 V888 I922 T941K717-F719 VanDerWaalsContact C-N 3.27Å; K717-F719 PolarHBondContact O-N 3.15Å; F719-L856 HydrophobicContact CD2-CD1 4.2Å; F719-L856 HydrophobicContact CE2-CD1 4.27Å; F719-V888 HydrophobicContact CD1-CG2 3.97Å; F719-I922 HydrophobicContact CE1-CG2 4.27Å; F719-I922 HydrophobicContact CZ-CG2 3.91Å; F719-T941 HydrophobicContact CD1-CG2 3.62Å; F719-T941 HydrophobicContact CE1-CG2 3.64Å
720R43.4Very low37.7Very low177 Ų177107.3 Ų107.367%0.66857%0.567SS**  trans-63.2142.2165-84.8-176.1174-173-2.4109C722R720-C722 PolarHBondContact O-N 3.4Å; R720-C722 VanDerWaalsContact O-N 3.09Å
721S40.2Very low37.9Very low82 Ų82107.1 Ų107.157%0.57357%0.568SS**  trans-55.2117.3158.456.10000106.8Q723S721-Q723 PolarHBondContact O-N 3.33Å
722C37.1Very low38.1Very low111 Ų111107.3 Ų107.375%0.7557%0.569SS**  trans-57.2113.9164.8-139.10000105.1R720R720-C722 PolarHBondContact O-N 3.4Å; R720-C722 VanDerWaalsContact O-N 3.09Å
723Q41.1Very low38.3Very low158 Ų158103.8 Ų103.874%0.73856%0.559SS**  trans-63.8134.2165.3-74.1-158.1-19.600105.8S721 S725S721-Q723 PolarHBondContact O-N 3.33Å; Q723-S725 PolarHBondContact O-N 3.11Å
724P44.3Very low38.5Very low24 Ų24101.2 Ų101.216%0.15657%0.565CS.*  trans-56.2108.7178.220.1-29.2000108.2D780 Y783 I784P724-D780 HydrophobicContact CB-CB 3.73Å; P724-Y783 HydrophobicContact CG-CD1 4.38Å; P724-I784 HydrophobicContact CB-CD1 4.23Å; P724-I784 HydrophobicContact CB-CG1 4.39Å; P724-I784 HydrophobicContact CG-CD1 3.86Å; P724-I784 HydrophobicContact CG-CG1 3.73Å
725S45.5Very low38.5Very low68 Ų68104.5 Ų104.548%0.47658%0.577SS.*  trans-100.293.5176.958.10000107Q723 N727Q723-S725 PolarHBondContact O-N 3.11Å; S725-N727 PolarHBondContact O-N 3.06Å
726L45.5Very low39Very low17 Ų17106 Ų1069%0.08959%0.587CS.*  trans-62.5109.1175.4-65.9169.3000108.7L728 G751 I752 L768 D780 I781L726-L728 VanDerWaalsContact C-N 3.34Å; L726-L728 HydrophobicContact CB-CG 4.41Å; L726-L728 PolarHBondContact O-N 3.45Å; L726-G751 WeakPolarHBondContact CD1-O 3.38Å; L726-I752 HydrophobicContact CD1-CG1 3.95Å; L726-L768 HydrophobicContact CD1-CD2 4.2Å; L726-D780 HydrophobicContact CD2-CB 4.31Å; L726-I781 HydrophobicContact CD2-CD1 4.45Å; L726-I781 HydrophobicContact CD2-CG1 3.9Å
727N48.9Very low38.7Very low121 Ų121111.8 Ų111.865%0.64761%0.605SS**  trans-92.570.6175.7-81.4-50.3000109.4S725 N729S725-N727 PolarHBondContact O-N 3.06Å; N727-N729 PolarHBondContact O-N 3.46Å; N727-N729 VanDerWaalsContact O-N 3.15Å
728L44.1Very low38Very low66 Ų66114.6 Ų114.635%0.34662%0.62SS.*  trans-79.895.3175.2-64.9169.6000109.4L726 L730 L768L726-L728 VanDerWaalsContact C-N 3.34Å; L726-L728 HydrophobicContact CB-CG 4.41Å; L726-L728 PolarHBondContact O-N 3.45Å; L728-L730 VanDerWaalsContact C-N 3.26Å; L728-L730 PolarHBondContact O-N 3.14Å; L728-L768 HydrophobicContact CD1-CD1 4.01Å; L728-L768 HydrophobicContact CD1-CD2 4.05Å; L728-L768 HydrophobicContact CD2-CD1 4.03Å
729N40.9Very low37.4Very low164 Ų164118.2 Ų118.288%0.87764%0.644SS**  trans-68.886.8164.8-77.8-32.2000109.1N727N727-N729 PolarHBondContact O-N 3.46Å; N727-N729 VanDerWaalsContact O-N 3.15Å
730L35.1Very low36.4Very low150 Ų150125.4 Ų125.479%0.78568%0.678SS**  trans-74130167.9-73161.7000108.9L728 D732L728-L730 VanDerWaalsContact C-N 3.26Å; L728-L730 PolarHBondContact O-N 3.14Å; L730-D732 PolarHBondContact O-N 2.99Å
731P29Very low35.7Very low122 Ų122122.7 Ų122.779%0.79269%0.687SS**  trans-72.5114.2173.426.8-29.3000109.8
732D29.7Very low35Very low159 Ų159124 Ų12485%0.8570%0.695SS**  trans-83.7134.8176-143.89.2000110.4L730L730-D732 PolarHBondContact O-N 2.99Å
733P31.6Very low34.7Very low100 Ų100123.7 Ų123.765%0.64970%0.701SS**  trans-88.5119.5175.228.5-19.6000111.6
734S30.4Very low33.9Very low109 Ų109121.5 Ų121.576%0.76270%0.698SS**  trans40.3117.6147.653.30000118.5
735E28.7Very low33.1Very low191 Ų191125.9 Ų125.989%0.89373%0.73SS**  -179.9169.362.3-113.3-176.3-169.800109.6
736P40.1Very low32.1Very low113 Ų113130 Ų13073%0.73475%0.745SS**  trans-98.4141.2-160.836.7-31.6000115.1
737Q28.4Very low31.3Very low203 Ų203133.8 Ų133.895%0.94977%0.772SS**  trans-145.5141.4153.4-78.6-163.1-22.400112.8
738E26.7Very low30.4Very low181 Ų181134.5 Ų134.585%0.84678%0.781SS**  trans-77.9145.5-169.3-64.7176.6138.700115.3
739T27.8Very low30.1Very low123 Ų123139.8 Ų139.876%0.75580%0.804SS**  trans47.6120.514646.80000122.1
740Q26.1Very low30.6Very low194 Ų194135 Ų13591%0.90778%0.783SS**  -170.8144.4105.6-99.6174.528.100112.5
741S29.3Very low31.8Very low121 Ų121129.8 Ų129.885%0.84677%0.766SS**  trans-69.7135.2-175.352.30000114.9
742S23.7Very low33.9Very low108 Ų108125.8 Ų125.876%0.75574%0.737SS**  trans-155.8132.8146.1-175.90000110V744S742-V744 PolarHBondContact O-N 3.48Å
743A31.5Very low36.2Very low106 Ų106119.9 Ų119.988%0.87671%0.708SS**  trans-65.1110.6177.400000110.6
744V24.4Very low38.5Very low111 Ų111122.6 Ų122.667%0.67371%0.705SS**  trans-131.5124.7164.5-179.70000107S742 I746S742-V744 PolarHBondContact O-N 3.48Å; V744-I746 PolarHBondContact O-N 3.17Å
745S27.9Very low40.8Very low117 Ų117120.4 Ų120.482%0.81869%0.685SS**  trans-55.4101.8170.545.40000110.2S747S745-S747 PolarHBondContact O-N 2.91Å
746I24.2Very low42.8Very low154 Ų154121.4 Ų121.479%0.7969%0.69SS**  trans-75.4103.6171.1-61.8170.2000106.9V744 V748V744-I746 PolarHBondContact O-N 3.17Å; I746-V748 PolarHBondContact O-N 2.95Å
747S28.8Very low44.3Very low96 Ų96120.6 Ų120.667%0.67169%0.687SS**  trans-63.1115.1156.749.10000107.3S745 E749S745-S747 PolarHBondContact O-N 2.91Å; S747-E749 PolarHBondContact O-N 3.16Å
748V31.1Very low46.3Very low137 Ų137112.6 Ų112.683%0.8366%0.659SS**  trans-60.8101.4170.3179.60000107.2I746 S750I746-V748 PolarHBondContact O-N 2.95Å; V748-S750 PolarHBondContact O-N 3.28Å
749E37.8Very low48.6Very low177 Ų177106.2 Ų106.283%0.82764%0.637SS**  trans-65.2116.6171.4-80.8-175.8154.800108.2S747 G751S747-E749 PolarHBondContact O-N 3.16Å; E749-G751 PolarHBondContact O-N 3.05Å
750S51Low51.2Low62 Ų62101.9 Ų101.943%0.43461%0.61SS.*  trans-54.3116174.7490000110.5V748 I752V748-S750 PolarHBondContact O-N 3.28Å; S750-I752 PolarHBondContact O-N 3.36Å
751G60.7Low54Low42 Ų4295 Ų9543%0.43358%0.58SS.*  trans-68.134.6179.200000115.7L726 E749L726-G751 WeakPolarHBondContact CD1-O 3.38Å; E749-G751 PolarHBondContact O-N 3.05Å
752I72.4Confident56.6Low37 Ų3791.8 Ų91.819%0.1955%0.549CS..  trans-84.3124.2179-60171.6000108.4L726 S750 R754 V760 I784L726-I752 HydrophobicContact CD1-CG1 3.95Å; S750-I752 PolarHBondContact O-N 3.36Å; I752-R754 PolarHBondContact O-N 3.45Å; I752-V760 HydrophobicContact CG2-CG1 4Å; I752-V760 HydrophobicContact CG2-CG2 4.22Å; I752-I784 HydrophobicContact CD1-CD1 4.16Å; I752-I784 HydrophobicContact CG1-CD1 4.38Å
753P77.9Confident59.3Low35 Ų3592.4 Ų92.423%0.22754%0.544CS..  trans-55.8132.8175.8-24.433.8000111.9D761 A764 L765P753-D761 HydrophobicContact CB-CB 4.27Å; P753-D761 PolarHBondContact O-N 3.43Å; P753-A764 HydrophobicContact CB-CB 3.65Å; P753-A764 HydrophobicContact CG-CB 4.19Å; P753-L765 HydrophobicContact CG-CD2 4.19Å; P753-L765 HydrophobicContact CG-CG 4.41Å
754R78.9Confident61.7Low157 Ų15788.8 Ų88.859%0.59252%0.515SS*.BIsolated β-bridgetrans-122.8143.4176.6-67.7-177.5-177.3-118.74.9110.9I752 G758 A759I752-R754 PolarHBondContact O-N 3.45Å; R754-G758 WeakPolarHBondContact CD-O 3.5Å; R754-G758 PolarHBondContact NH1-O 3.4Å; R754-A759 CarbonylContact C-O 3.49Å; R754-A759 WeakPolarHBondContact CA-O 3.32Å; R754-A759 WeakPolarHBondContact CB-O 3.02Å
755D78.7Confident64.6Low63 Ų6383.5 Ų83.534%0.33748%0.482SS..  trans-77.2176.6174.669.816.3000111.6S757 G758 A759 D761D755-S757 PolarHBondContact O-N 3.41Å; D755-S757 WeakPolarHBondContact OD1-CA 3.42Å; D755-S757 WeakPolarHBondContact OD1-CB 3.4Å; D755-S757 PolarHBondContact OD1-N 3.3Å; D755-S757 PolarHBondContact OD1-OG 3.05Å; D755-S757 PolarHBondContact OD2-OG 3.04Å; D755-G758 PolarHBondContact O-N 2.88Å; D755-G758 PolarHBondContact OD1-N 2.97Å; D755-G758 VanDerWaalsContact OD1-N 3.16Å; D755-A759 PolarHBondContact N-O 2.9Å; D755-A759 PolarHBondContact OD1-N 2.93Å; D755-D761 HydrophobicContact CB-CB 4.28Å
756E71.4Confident67.2Low212 Ų21278.4 Ų78.499%0.99145%0.446SS*.THydrogen-bonded Turntrans-60.2-15.1-179.9-60.9-176.516800113.7
757S70.9Confident70Confident97 Ų9775.8 Ų75.868%0.67843%0.431SS*.THydrogen-bonded Turntrans-93.3-5.1176.880.40000113.5D755 A759D755-S757 PolarHBondContact O-N 3.41Å; D755-S757 WeakPolarHBondContact OD1-CA 3.42Å; D755-S757 WeakPolarHBondContact OD1-CB 3.4Å; D755-S757 PolarHBondContact OD1-N 3.3Å; D755-S757 PolarHBondContact OD1-OG 3.05Å; D755-S757 PolarHBondContact OD2-OG 3.04Å; S757-A759 VanDerWaalsContact C-N 3.3Å
758G71.1Confident72.7Confident35 Ų3572.8 Ų72.836%0.36141%0.407SS..SBendtrans80.56.9-174.700000114.1R754 D755R754-G758 WeakPolarHBondContact CD-O 3.5Å; R754-G758 PolarHBondContact NH1-O 3.4Å; D755-G758 PolarHBondContact O-N 2.88Å; D755-G758 PolarHBondContact OD1-N 2.97Å; D755-G758 VanDerWaalsContact OD1-N 3.16Å
759A75.9Confident75.2Confident46 Ų4666.9 Ų66.938%0.3837%0.371SS..SBendtrans-82.8163.517200000110.7R754 D755 S757 D761R754-A759 CarbonylContact C-O 3.49Å; R754-A759 WeakPolarHBondContact CA-O 3.32Å; R754-A759 WeakPolarHBondContact CB-O 3.02Å; D755-A759 PolarHBondContact N-O 2.9Å; D755-A759 PolarHBondContact OD1-N 2.93Å; S757-A759 VanDerWaalsContact C-N 3.3Å; A759-D761 PolarHBondContact O-N 3.31Å
760V80.6Confident77.4Confident32 Ų3264.7 Ų64.719%0.19436%0.358CS..BIsolated β-bridgetrans-66.8123.8179.91770000109.7I752 Y762 L765I752-V760 HydrophobicContact CG2-CG1 4Å; I752-V760 HydrophobicContact CG2-CG2 4.22Å; V760-Y762 HydrophobicContact CB-CE1 4.18Å; V760-Y762 HydrophobicContact CG1-CD1 4.1Å; V760-Y762 HydrophobicContact CG1-CE1 3.88Å; V760-Y762 WeakPolarHBondContact O-CD2 3.38Å; V760-Y762 WeakPolarHBondContact O-CE2 3.42Å; V760-Y762 PolarHBondContact O-N 3.44Å; V760-L765 HydrophobicContact CG1-CD1 3.32Å; V760-L765 HydrophobicContact CG1-CG 4.3Å
761D84.8Confident78.9Confident51 Ų5167.2 Ų67.227%0.27337%0.367SS..  trans-81.697.6175.1-174.7-17.3000109.6P753 D755 A759 D763 A764 L765P753-D761 HydrophobicContact CB-CB 4.27Å; P753-D761 PolarHBondContact O-N 3.43Å; D755-D761 HydrophobicContact CB-CB 4.28Å; A759-D761 PolarHBondContact O-N 3.31Å; D761-D763 VanDerWaalsContact C-N 3.34Å; D761-D763 PolarHBondContact OD1-N 2.82Å; D761-D763 VanDerWaalsContact OD1-N 3.08Å; D761-A764 HydrophobicContact CB-CB 3.87Å; D761-A764 PolarHBondContact O-N 2.91Å; D761-A764 PolarHBondContact OD1-N 2.9Å; D761-A764 WeakPolarHBondContact OD2-CB 3.08Å; D761-L765 WeakPolarHBondContact O-CG 3.47Å; D761-L765 PolarHBondContact O-N 3.11Å
762Y84.2Confident80.1Confident53 Ų5366.1 Ų66.121%0.20835%0.352CS..Hα-helixtrans-68.4-31-177.8-60.2-71.7000112.9V760 L765 V766 L785 D788 K789V760-Y762 HydrophobicContact CB-CE1 4.18Å; V760-Y762 HydrophobicContact CG1-CD1 4.1Å; V760-Y762 HydrophobicContact CG1-CE1 3.88Å; V760-Y762 WeakPolarHBondContact O-CD2 3.38Å; V760-Y762 WeakPolarHBondContact O-CE2 3.42Å; V760-Y762 PolarHBondContact O-N 3.44Å; Y762-L765 HydrophobicContact CD1-CD1 4.42Å; Y762-L765 PolarHBondContact O-N 2.81Å; Y762-V766 VanDerWaalsContact O-CG2 3.26Å; Y762-V766 WeakPolarHBondContact O-CG2 3.4Å; Y762-V766 PolarHBondContact O-N 3.26Å; Y762-L785 HydrophobicContact CD1-CD2 3.83Å; Y762-D788 HydrophobicContact CE1-CB 3.77Å; Y762-D788 WeakPolarHBondContact OH-CB 3.39Å; Y762-D788 PolarHBondContact OH-OD2 2.72Å; Y762-K789 HydrophobicContact CD1-CG 4.34Å; Y762-K789 HydrophobicContact CE1-CG 4.38Å; Y762-K789 VanDerWaalsContact CG-CE 3.44Å
763D81.6Confident80.5Confident120 Ų12073.9 Ų73.964%0.64238%0.384SS*.Hα-helixtrans-73-39.6178.6-70.2-35.6000110.3D761 V766 Q767D761-D763 VanDerWaalsContact C-N 3.34Å; D761-D763 PolarHBondContact OD1-N 2.82Å; D761-D763 VanDerWaalsContact OD1-N 3.08Å; D763-V766 PolarHBondContact O-N 3.41Å; D763-Q767 WeakPolarHBondContact O-CG 3.4Å; D763-Q767 PolarHBondContact O-N 3.49Å
764A81.8Confident81Confident31 Ų3174.4 Ų74.426%0.25639%0.389SS..Hα-helixtrans-64.8-37.6171.200000112.5P753 D761 Q767 L768P753-A764 HydrophobicContact CB-CB 3.65Å; P753-A764 HydrophobicContact CG-CB 4.19Å; D761-A764 HydrophobicContact CB-CB 3.87Å; D761-A764 PolarHBondContact O-N 2.91Å; D761-A764 PolarHBondContact OD1-N 2.9Å; D761-A764 WeakPolarHBondContact OD2-CB 3.08Å; A764-Q767 PolarHBondContact O-N 2.7Å; A764-L768 WeakPolarHBondContact O-CB 3.4Å; A764-L768 PolarHBondContact O-N 3.4Å
765L84Confident81.3Confident0 Ų068 Ų680%037%0.366CS..Hα-helixtrans-63.3-39.2172.5-81.7176.5000112.5P753 V760 D761 Y762 Q767 L768 L769 I781 I784P753-L765 HydrophobicContact CG-CD2 4.19Å; P753-L765 HydrophobicContact CG-CG 4.41Å; V760-L765 HydrophobicContact CG1-CD1 3.32Å; V760-L765 HydrophobicContact CG1-CG 4.3Å; D761-L765 WeakPolarHBondContact O-CG 3.47Å; D761-L765 PolarHBondContact O-N 3.11Å; Y762-L765 HydrophobicContact CD1-CD1 4.42Å; Y762-L765 PolarHBondContact O-N 2.81Å; L765-Q767 VanDerWaalsContact C-N 3.35Å; L765-L768 HydrophobicContact CD2-CD2 4.46Å; L765-L768 PolarHBondContact O-N 2.86Å; L765-L769 WeakPolarHBondContact O-CB 3.45Å; L765-L769 PolarHBondContact O-N 2.65Å; L765-I781 HydrophobicContact CB-CG2 4.18Å; L765-I781 HydrophobicContact CD2-CG1 4.28Å; L765-I781 HydrophobicContact CD2-CG2 4.24Å; L765-I784 HydrophobicContact CD1-CG2 3.94Å
766V84.1Confident81.6Confident9 Ų969.1 Ų69.16%0.05537%0.369CS..Hα-helixtrans-66.1-37.2175.3168.30000110.9Y762 D763 L769 K770 L785 W793 T795 L797Y762-V766 VanDerWaalsContact O-CG2 3.26Å; Y762-V766 WeakPolarHBondContact O-CG2 3.4Å; Y762-V766 PolarHBondContact O-N 3.26Å; D763-V766 PolarHBondContact O-N 3.41Å; V766-L769 PolarHBondContact O-N 3.17Å; V766-K770 PolarHBondContact O-N 3.45Å; V766-L785 HydrophobicContact CG2-CD1 4.24Å; V766-W793 HydrophobicContact CG2-CH2 3.83Å; V766-W793 HydrophobicContact CG2-CZ3 3.83Å; V766-T795 WeakPolarHBondContact CG1-O 3.34Å; V766-T795 HydrophobicContact CG2-CG2 4.5Å; V766-L797 HydrophobicContact CG1-CB 4.32Å; V766-L797 HydrophobicContact CG1-CD1 3.83Å; V766-L797 HydrophobicContact CG1-CG 4.3Å; V766-L797 WeakPolarHBondContact O-CD1 3.38Å
767Q82.2Confident82.2Confident100 Ų10059.8 Ų59.847%0.46733%0.326SS..Hα-helixtrans-66.6-43.1171.1-65.3-52.7-39.300111.9D763 A764 L765 L769 K770 D771D763-Q767 WeakPolarHBondContact O-CG 3.4Å; D763-Q767 PolarHBondContact O-N 3.49Å; A764-Q767 PolarHBondContact O-N 2.7Å; L765-Q767 VanDerWaalsContact C-N 3.35Å; Q767-L769 VanDerWaalsContact C-N 3.27Å; Q767-L769 PolarHBondContact O-N 3.46Å; Q767-K770 VanDerWaalsContact O-CB 3.32Å; Q767-K770 WeakPolarHBondContact O-CB 3.28Å; Q767-K770 PolarHBondContact O-N 3.04Å; Q767-D771 PolarHBondContact O-N 3.13Å
768L84.9Confident83Confident32 Ų3256.7 Ų56.717%0.16830%0.301CS..Hα-helixtrans-61-38.5176.4-170.769.8000111.7L726 L728 A764 L765 K770 D771 T772 I781L726-L768 HydrophobicContact CD1-CD2 4.2Å; L728-L768 HydrophobicContact CD1-CD1 4.01Å; L728-L768 HydrophobicContact CD1-CD2 4.05Å; L728-L768 HydrophobicContact CD2-CD1 4.03Å; A764-L768 WeakPolarHBondContact O-CB 3.4Å; A764-L768 PolarHBondContact O-N 3.4Å; L765-L768 HydrophobicContact CD2-CD2 4.46Å; L765-L768 PolarHBondContact O-N 2.86Å; L768-K770 VanDerWaalsContact C-N 3.26Å; L768-K770 PolarHBondContact O-N 3.18Å; L768-D771 PolarHBondContact O-N 3.16Å; L768-T772 VanDerWaalsContact O-CB 3.26Å; L768-T772 WeakPolarHBondContact O-CB 3.38Å; L768-T772 PolarHBondContact O-N 3.43Å; L768-T772 PolarHBondContact O-OG1 3.43Å; L768-I781 HydrophobicContact CB-CD1 4.14Å; L768-I781 HydrophobicContact CD2-CD1 3.8Å; L768-I781 HydrophobicContact CD2-CG1 4.4Å; L768-I781 HydrophobicContact CG-CD1 3.83Å
769L84.3Confident83.8Confident14 Ų1455 Ų557%0.07328%0.284CS..Hα-helixtrans-60.7-37.3174.7-178.164.4000111.8L765 V766 Q767 Q778 I781 L782 L797 L807L765-L769 WeakPolarHBondContact O-CB 3.45Å; L765-L769 PolarHBondContact O-N 2.65Å; V766-L769 PolarHBondContact O-N 3.17Å; Q767-L769 VanDerWaalsContact C-N 3.27Å; Q767-L769 PolarHBondContact O-N 3.46Å; L769-Q778 HydrophobicContact CD1-CB 3.76Å; L769-Q778 HydrophobicContact CD1-CG 3.86Å; L769-I781 HydrophobicContact CB-CD1 4.29Å; L769-I781 HydrophobicContact CB-CG2 4Å; L769-I781 HydrophobicContact CD1-CB 4.26Å; L769-I781 HydrophobicContact CD1-CG2 4.3Å; L769-L782 HydrophobicContact CD1-CD1 4.5Å; L769-L782 HydrophobicContact CD1-CG 4.09Å; L769-L782 HydrophobicContact CD2-CD2 3.74Å; L769-L782 HydrophobicContact CD2-CG 4.12Å; L769-L797 HydrophobicContact CB-CD1 4.23Å; L769-L797 HydrophobicContact CD2-CD1 3.9Å; L769-L797 HydrophobicContact CG-CD1 4.13Å; L769-L807 HydrophobicContact CD2-CD1 4.06Å
770K83.5Confident84.2Confident131 Ų13153.6 Ų53.657%0.5727%0.27SS*.Hα-helixtrans-71.4-38.4177.6-175.1-178.3176.1-175.60112.4V766 Q767 L768 L797V766-K770 PolarHBondContact O-N 3.45Å; Q767-K770 VanDerWaalsContact O-CB 3.32Å; Q767-K770 WeakPolarHBondContact O-CB 3.28Å; Q767-K770 PolarHBondContact O-N 3.04Å; L768-K770 VanDerWaalsContact C-N 3.26Å; L768-K770 PolarHBondContact O-N 3.18Å; K770-L797 HydrophobicContact CB-CD1 4.22Å; K770-L797 HydrophobicContact CB-CD2 4.31Å; K770-L797 HydrophobicContact CB-CG 4.37Å; K770-L797 HydrophobicContact CG-CD2 4.35Å
771D83.4Confident84.5Confident115 Ų11552 Ų5262%0.61526%0.26SS*.Hα-helixtrans-83.6-26.1-174.6-67.6-19.4000112.8Q767 L768Q767-D771 PolarHBondContact O-N 3.13Å; L768-D771 PolarHBondContact O-N 3.16Å
772T84.8Confident84.7Confident18 Ų1849.8 Ų49.811%0.1125%0.248CC..  trans-78131.2-174.7-57.60000112.5L768 D777 Q778L768-T772 VanDerWaalsContact O-CB 3.26Å; L768-T772 WeakPolarHBondContact O-CB 3.38Å; L768-T772 PolarHBondContact O-N 3.43Å; L768-T772 PolarHBondContact O-OG1 3.43Å; T772-D777 HydrophobicContact CG2-CB 3.44Å; T772-D777 VanDerWaalsContact CG2-CB 3.44Å; T772-Q778 PolarHBondContact O-NE2 2.68Å
773K82.4Confident84.8Confident200 Ų20049.9 Ų49.987%0.8725%0.249SC*.  trans-93.8-14.4177.2-63.5-177.2-179.4177.60114.1
774S86.8Confident85Confident46 Ų4644.8 Ų44.832%0.32222%0.221SC..  trans-78.6122.7179.7170.60000110.2Q776 D777 Q778S774-Q776 PolarHBondContact O-N 3.46Å; S774-Q776 PolarHBondContact OG-N 3.11Å; S774-D777 WeakPolarHBondContact CB-OD2 3.49Å; S774-D777 PolarHBondContact O-N 3.04Å; S774-D777 PolarHBondContact OG-N 3.44Å; S774-D777 PolarHBondContact OG-OD2 3.28Å; S774-Q778 WeakPolarHBondContact O-CG 3.49Å; S774-Q778 PolarHBondContact O-N 2.92Å
775L86.4Confident85.3Confident22 Ų2243.3 Ų43.312%0.11521%0.209CC..Hα-helixtrans-64.6-29.3176.3-61.9-165.8000112.1A779 L811 K814 L818 L823L775-A779 WeakPolarHBondContact O-CB 3.03Å; L775-A779 PolarHBondContact O-N 2.85Å; L775-L811 HydrophobicContact CB-CD1 4.12Å; L775-L811 HydrophobicContact CD1-CD1 4.48Å; L775-L811 HydrophobicContact CD2-CD1 3.7Å; L775-L811 HydrophobicContact CG-CD1 4.31Å; L775-K814 HydrophobicContact CD1-CB 4.18Å; L775-K814 HydrophobicContact CD2-CD 4.49Å; L775-L818 HydrophobicContact CD1-CD1 3.6Å; L775-L818 HydrophobicContact CG-CD1 4.43Å; L775-L823 HydrophobicContact CB-CD1 4.18Å
776Q83.8Confident85.5Confident87 Ų8745.5 Ų45.541%0.40722%0.219SC..Hα-helixtrans-64.9-49176.8-175.163.751.800111S774 Q778 A779 D780 L823S774-Q776 PolarHBondContact O-N 3.46Å; S774-Q776 PolarHBondContact OG-N 3.11Å; Q776-Q778 VanDerWaalsContact C-N 3.34Å; Q776-Q778 PolarHBondContact O-N 3.27Å; Q776-A779 WeakPolarHBondContact O-CB 3.38Å; Q776-A779 PolarHBondContact O-N 3.31Å; Q776-A779 VanDerWaalsContact O-N 3.16Å; Q776-D780 PolarHBondContact NE2-OD1 3.41Å; Q776-D780 VanDerWaalsContact NE2-OD1 3.09Å; Q776-D780 VanDerWaalsContact O-CG 3.31Å; Q776-D780 PolarHBondContact O-N 3.23Å; Q776-L823 HydrophobicContact CB-CD1 4.36Å
777D84.7Confident85.5Confident16 Ų1651.9 Ų51.99%0.08625%0.246CC..Hα-helixtrans-67.3-36.9178.9-63.5-44.9000111.2T772 S774 A779 D780 I781T772-D777 HydrophobicContact CG2-CB 3.44Å; T772-D777 VanDerWaalsContact CG2-CB 3.44Å; S774-D777 WeakPolarHBondContact CB-OD2 3.49Å; S774-D777 PolarHBondContact O-N 3.04Å; S774-D777 PolarHBondContact OG-N 3.44Å; S774-D777 PolarHBondContact OG-OD2 3.28Å; D777-A779 VanDerWaalsContact C-N 3.31Å; D777-A779 PolarHBondContact O-N 2.91Å; D777-D780 PolarHBondContact O-N 3.47Å; D777-I781 WeakPolarHBondContact O-CB 3.31Å; D777-I781 WeakPolarHBondContact O-CD1 3.16Å; D777-I781 WeakPolarHBondContact O-CG1 3.35Å; D777-I781 PolarHBondContact O-N 3.17Å
778Q87.8Confident85.7Confident33 Ų3350.7 Ų50.715%0.15424%0.242CC..Hα-helixtrans-60-42.5172.1-69.7178.213.200111.5L769 T772 S774 Q776 L782 L811L769-Q778 HydrophobicContact CD1-CB 3.76Å; L769-Q778 HydrophobicContact CD1-CG 3.86Å; T772-Q778 PolarHBondContact O-NE2 2.68Å; S774-Q778 WeakPolarHBondContact O-CG 3.49Å; S774-Q778 PolarHBondContact O-N 2.92Å; Q776-Q778 VanDerWaalsContact C-N 3.34Å; Q776-Q778 PolarHBondContact O-N 3.27Å; Q778-L782 WeakPolarHBondContact O-CB 3.23Å; Q778-L782 VanDerWaalsContact O-CG 3.27Å; Q778-L782 WeakPolarHBondContact O-CG 3.35Å; Q778-L782 PolarHBondContact O-N 3.01Å; Q778-L811 HydrophobicContact CB-CD1 4.29Å; Q778-L811 HydrophobicContact CB-CD2 4.16Å
779A86.9Confident85.8Confident0 Ų053.4 Ų53.40%025%0.253CS..Hα-helixtrans-67-41.1178.100000112L775 Q776 D777 L782 Y783 L811 L823 M826L775-A779 WeakPolarHBondContact O-CB 3.03Å; L775-A779 PolarHBondContact O-N 2.85Å; Q776-A779 WeakPolarHBondContact O-CB 3.38Å; Q776-A779 PolarHBondContact O-N 3.31Å; Q776-A779 VanDerWaalsContact O-N 3.16Å; D777-A779 VanDerWaalsContact C-N 3.31Å; D777-A779 PolarHBondContact O-N 2.91Å; A779-L782 PolarHBondContact O-N 2.96Å; A779-Y783 VanDerWaalsContact O-CB 3.3Å; A779-Y783 WeakPolarHBondContact O-CB 3.08Å; A779-Y783 PolarHBondContact O-N 3.33Å; A779-L811 HydrophobicContact CB-CD2 3.78Å; A779-L823 HydrophobicContact CB-CD2 3.54Å; A779-M826 HydrophobicContact CB-CE 3.38Å
780D85.6Confident85.9Confident15 Ų1554 Ų548%0.0826%0.262CS..Hα-helixtrans-64.9-43.7177.8-73.4-3.5000111.5P724 L726 Q776 D777 Y783 I784P724-D780 HydrophobicContact CB-CB 3.73Å; L726-D780 HydrophobicContact CD2-CB 4.31Å; Q776-D780 PolarHBondContact NE2-OD1 3.41Å; Q776-D780 VanDerWaalsContact NE2-OD1 3.09Å; Q776-D780 VanDerWaalsContact O-CG 3.31Å; Q776-D780 PolarHBondContact O-N 3.23Å; D777-D780 PolarHBondContact O-N 3.47Å; D780-Y783 WeakPolarHBondContact O-CB 3.49Å; D780-Y783 PolarHBondContact O-N 3.34Å; D780-I784 WeakPolarHBondContact O-CG1 3.34Å; D780-I784 PolarHBondContact O-N 3.25Å
781I86.9Confident85.9Confident0 Ų049.8 Ų49.80%025%0.245CC..Hα-helixtrans-63.5-47.4174.9-65.1163.8000110.5L726 L765 L768 L769 D777 Y783 I784 L785L726-I781 HydrophobicContact CD2-CD1 4.45Å; L726-I781 HydrophobicContact CD2-CG1 3.9Å; L765-I781 HydrophobicContact CB-CG2 4.18Å; L765-I781 HydrophobicContact CD2-CG1 4.28Å; L765-I781 HydrophobicContact CD2-CG2 4.24Å; L768-I781 HydrophobicContact CB-CD1 4.14Å; L768-I781 HydrophobicContact CD2-CD1 3.8Å; L768-I781 HydrophobicContact CD2-CG1 4.4Å; L768-I781 HydrophobicContact CG-CD1 3.83Å; L769-I781 HydrophobicContact CB-CD1 4.29Å; L769-I781 HydrophobicContact CB-CG2 4Å; L769-I781 HydrophobicContact CD1-CB 4.26Å; L769-I781 HydrophobicContact CD1-CG2 4.3Å; D777-I781 WeakPolarHBondContact O-CB 3.31Å; D777-I781 WeakPolarHBondContact O-CD1 3.16Å; D777-I781 WeakPolarHBondContact O-CG1 3.35Å; D777-I781 PolarHBondContact O-N 3.17Å; I781-Y783 VanDerWaalsContact C-N 3.26Å; I781-Y783 PolarHBondContact O-N 2.97Å; I781-I784 WeakPolarHBondContact O-CB 3.29Å; I781-I784 PolarHBondContact O-N 3.26Å; I781-L785 HydrophobicContact CG2-CD1 4.21Å; I781-L785 HydrophobicContact CG2-CG 4.48Å; I781-L785 WeakPolarHBondContact O-CG 3.45Å; I781-L785 PolarHBondContact O-N 3.21Å
782L88.2Confident86.2Confident4 Ų451.2 Ų51.22%0.02125%0.248CC..Hα-helixtrans-64.7-30.6177.5-73.6172.1000112.4L769 Q778 A779 L785 F786 L807 L808 L811L769-L782 HydrophobicContact CD1-CD1 4.5Å; L769-L782 HydrophobicContact CD1-CG 4.09Å; L769-L782 HydrophobicContact CD2-CD2 3.74Å; L769-L782 HydrophobicContact CD2-CG 4.12Å; Q778-L782 WeakPolarHBondContact O-CB 3.23Å; Q778-L782 VanDerWaalsContact O-CG 3.27Å; Q778-L782 WeakPolarHBondContact O-CG 3.35Å; Q778-L782 PolarHBondContact O-N 3.01Å; A779-L782 PolarHBondContact O-N 2.96Å; L782-L785 HydrophobicContact CD2-CD1 4.35Å; L782-L785 PolarHBondContact O-N 3.02Å; L782-F786 WeakPolarHBondContact O-CB 3.4Å; L782-F786 PolarHBondContact O-N 3.47Å; L782-L807 HydrophobicContact CD1-CB 4.16Å; L782-L807 HydrophobicContact CD2-CB 3.89Å; L782-L807 HydrophobicContact CD2-CD1 4.03Å; L782-L808 HydrophobicContact CB-CD2 3.85Å; L782-L808 HydrophobicContact CB-CG 4.37Å; L782-L808 HydrophobicContact CD1-CD2 3.93Å; L782-L808 HydrophobicContact CD1-CG 4.26Å; L782-L808 HydrophobicContact CG-CD2 4.48Å; L782-L811 HydrophobicContact CD1-CB 4.45Å; L782-L811 HydrophobicContact CD1-CD2 3.8Å
783Y86.8Confident86.3Confident54 Ų5453.8 Ų53.821%0.21226%0.256CS..Hα-helixtrans-65-42.9172.9176.5-97.3000111.6P724 A779 D780 I781 F786 K787 M830 I886P724-Y783 HydrophobicContact CG-CD1 4.38Å; A779-Y783 VanDerWaalsContact O-CB 3.3Å; A779-Y783 WeakPolarHBondContact O-CB 3.08Å; A779-Y783 PolarHBondContact O-N 3.33Å; D780-Y783 WeakPolarHBondContact O-CB 3.49Å; D780-Y783 PolarHBondContact O-N 3.34Å; I781-Y783 VanDerWaalsContact C-N 3.26Å; I781-Y783 PolarHBondContact O-N 2.97Å; Y783-F786 HydrophobicContact CD2-CD1 4.43Å; Y783-F786 PolarHBondContact O-N 3.19Å; Y783-K787 HydrophobicContact CE1-CD 4.41Å; Y783-K787 VanDerWaalsContact O-CB 3.31Å; Y783-K787 WeakPolarHBondContact O-CB 3.43Å; Y783-K787 PolarHBondContact O-N 3.3Å; Y783-M830 HydrophobicContact CD2-CG 4.38Å; Y783-M830 HydrophobicContact CD2-SD 3.99Å; Y783-I886 HydrophobicContact CD2-CD1 3.96Å; Y783-I886 HydrophobicContact CE2-CD1 3.75Å
784I86.1Confident86.5Confident14 Ų1446.4 Ų46.47%0.07223%0.226CC..Hα-helixtrans-61-49.1173.7-64165.3000110.2P724 I752 L765 D780 I781 F786 K787 D788P724-I784 HydrophobicContact CB-CD1 4.23Å; P724-I784 HydrophobicContact CB-CG1 4.39Å; P724-I784 HydrophobicContact CG-CD1 3.86Å; P724-I784 HydrophobicContact CG-CG1 3.73Å; I752-I784 HydrophobicContact CD1-CD1 4.16Å; I752-I784 HydrophobicContact CG1-CD1 4.38Å; L765-I784 HydrophobicContact CD1-CG2 3.94Å; D780-I784 WeakPolarHBondContact O-CG1 3.34Å; D780-I784 PolarHBondContact O-N 3.25Å; I781-I784 WeakPolarHBondContact O-CB 3.29Å; I781-I784 PolarHBondContact O-N 3.26Å; I784-F786 PolarHBondContact O-N 3.46Å; I784-K787 PolarHBondContact O-N 3.01Å; I784-D788 WeakPolarHBondContact O-CB 3.31Å; I784-D788 PolarHBondContact O-N 3.16Å
785L87.6Confident86.3Confident0 Ų044.6 Ų44.60%021%0.213CC..Hα-helixtrans-61.8-42.4179-66.6177.2000112.3Y762 V766 I781 L782 K789 G790 W793 T795 V804Y762-L785 HydrophobicContact CD1-CD2 3.83Å; V766-L785 HydrophobicContact CG2-CD1 4.24Å; I781-L785 HydrophobicContact CG2-CD1 4.21Å; I781-L785 HydrophobicContact CG2-CG 4.48Å; I781-L785 WeakPolarHBondContact O-CG 3.45Å; I781-L785 PolarHBondContact O-N 3.21Å; L782-L785 HydrophobicContact CD2-CD1 4.35Å; L782-L785 PolarHBondContact O-N 3.02Å; L785-K789 WeakPolarHBondContact O-CA 3.24Å; L785-K789 WeakPolarHBondContact O-CB 3.42Å; L785-K789 PolarHBondContact O-N 2.85Å; L785-G790 PolarHBondContact O-N 3.18Å; L785-W793 HydrophobicContact CD1-CZ3 4.15Å; L785-W793 HydrophobicContact CD2-CE3 4.31Å; L785-W793 HydrophobicContact CD2-CH2 4.36Å; L785-W793 HydrophobicContact CD2-CZ3 3.74Å; L785-W793 HydrophobicContact CG-CZ3 4.46Å; L785-T795 HydrophobicContact CD1-CG2 4.39Å; L785-V804 HydrophobicContact CB-CG2 4.01Å
786F87.9Confident86Confident45 Ų4550.6 Ų50.620%0.19724%0.241CC..Hα-helixtrans-58.7-47.8174.4161.7-111.3000111.9L782 Y783 I784 G790 M791 V804 M830L782-F786 WeakPolarHBondContact O-CB 3.4Å; L782-F786 PolarHBondContact O-N 3.47Å; Y783-F786 HydrophobicContact CD2-CD1 4.43Å; Y783-F786 PolarHBondContact O-N 3.19Å; I784-F786 PolarHBondContact O-N 3.46Å; F786-G790 VanDerWaalsContact O-CA 3.27Å; F786-G790 WeakPolarHBondContact O-CA 3.21Å; F786-G790 PolarHBondContact O-N 3.4Å; F786-G790 VanDerWaalsContact O-N 3.09Å; F786-M791 HydrophobicContact CD2-CG 3.75Å; F786-M791 HydrophobicContact CD2-SD 3.33Å; F786-M791 WeakPolarHBondContact CD2-SD 3.49Å; F786-M791 HydrophobicContact CE2-CG 3.76Å; F786-M791 HydrophobicContact CE2-SD 3.68Å; F786-M791 HydrophobicContact CG-SD 4.37Å; F786-V804 HydrophobicContact CB-CG1 4.11Å; F786-M830 HydrophobicContact CB-CE 3.72Å; F786-M830 HydrophobicContact CD1-CE 4.11Å; F786-M830 HydrophobicContact CD1-CG 4.16Å; F786-M830 HydrophobicContact CE1-CG 4.28Å; F786-M830 HydrophobicContact CG-CE 4Å
787K85.3Confident85.7Confident144 Ų14448.6 Ų48.663%0.62623%0.232SC*.Hα-helixtrans-67.1-40.1-176.9-174-178.9176.8-175.90112.4Y783 I784Y783-K787 HydrophobicContact CE1-CD 4.41Å; Y783-K787 VanDerWaalsContact O-CB 3.31Å; Y783-K787 WeakPolarHBondContact O-CB 3.43Å; Y783-K787 PolarHBondContact O-N 3.3Å; I784-K787 PolarHBondContact O-N 3.01Å
788D86.1Confident85Confident74 Ų7454 Ų5440%0.39626%0.257SS..Hα-helixtrans-94.5-32.8-171.4-72.66.2000113.9Y762 I784Y762-D788 HydrophobicContact CE1-CB 3.77Å; Y762-D788 WeakPolarHBondContact OH-CB 3.39Å; Y762-D788 PolarHBondContact OH-OD2 2.72Å; I784-D788 WeakPolarHBondContact O-CB 3.31Å; I784-D788 PolarHBondContact O-N 3.16Å
789K87.4Confident84.2Confident90 Ų9054.3 Ų54.339%0.39127%0.269SS..Hα-helixtrans-114.6-21.4-175.4-58.3-64.2-174.5-174.60114.2Y762 L785 W793Y762-K789 HydrophobicContact CD1-CG 4.34Å; Y762-K789 HydrophobicContact CE1-CG 4.38Å; Y762-K789 VanDerWaalsContact CG-CE 3.44Å; L785-K789 WeakPolarHBondContact O-CA 3.24Å; L785-K789 WeakPolarHBondContact O-CB 3.42Å; L785-K789 PolarHBondContact O-N 2.85Å; K789-W793 HydrophobicContact CB-CB 3.7Å; K789-W793 HydrophobicContact CB-CD2 3.83Å; K789-W793 HydrophobicContact CB-CE3 4.31Å; K789-W793 HydrophobicContact CB-CG 3.52Å; K789-W793 HydrophobicContact CG-CD2 3.95Å; K789-W793 HydrophobicContact CG-CE3 4.35Å; K789-W793 HydrophobicContact CG-CG 4.11Å
790G85.1Confident82.7Confident26 Ų2664.3 Ų64.327%0.26831%0.312SS..  trans87.3171.4-178.600000114.7L785 F786 E792 W793L785-G790 PolarHBondContact O-N 3.18Å; F786-G790 VanDerWaalsContact O-CA 3.27Å; F786-G790 WeakPolarHBondContact O-CA 3.21Å; F786-G790 PolarHBondContact O-N 3.4Å; F786-G790 VanDerWaalsContact O-N 3.09Å; G790-E792 PolarHBondContact O-N 3.39Å; G790-W793 PolarHBondContact O-N 2.79Å
791M85.2Confident81.8Confident43 Ų4365.9 Ų65.921%0.21233%0.333CS..THydrogen-bonded Turntrans-67.7-30.6-169.8-71.6-64.8-77.700115.2F786 W793 V804 S805 L808 L831F786-M791 HydrophobicContact CD2-CG 3.75Å; F786-M791 HydrophobicContact CD2-SD 3.33Å; F786-M791 WeakPolarHBondContact CD2-SD 3.49Å; F786-M791 HydrophobicContact CE2-CG 3.76Å; F786-M791 HydrophobicContact CE2-SD 3.68Å; F786-M791 HydrophobicContact CG-SD 4.37Å; M791-W793 VanDerWaalsContact C-N 3.33Å; M791-V804 PolarHBondContact O-N 2.9Å; M791-V804 HydrophobicContact SD-CG1 4.43Å; M791-S805 PolarHBondContact O-N 3.46Å; M791-L808 HydrophobicContact CE-CD1 4Å; M791-L808 HydrophobicContact SD-CD1 3.78Å; M791-L831 HydrophobicContact CE-CD2 3.77Å
792E87.9Confident81.5Confident145 Ų14566.3 Ų66.368%0.67834%0.336SS*.THydrogen-bonded Turntrans-90.51.7-175.3-59.1-55.613400112.8G790 D794G790-E792 PolarHBondContact O-N 3.39Å; E792-D794 PolarHBondContact O-N 3.34Å
793W88.3Confident81.5Confident71 Ų7167.5 Ų67.527%0.26934%0.343SS..  trans-68.7123.4-180-172.371.9000110.5V766 L785 K789 G790 M791 T795 T803 V804V766-W793 HydrophobicContact CG2-CH2 3.83Å; V766-W793 HydrophobicContact CG2-CZ3 3.83Å; L785-W793 HydrophobicContact CD1-CZ3 4.15Å; L785-W793 HydrophobicContact CD2-CE3 4.31Å; L785-W793 HydrophobicContact CD2-CH2 4.36Å; L785-W793 HydrophobicContact CD2-CZ3 3.74Å; L785-W793 HydrophobicContact CG-CZ3 4.46Å; K789-W793 HydrophobicContact CB-CB 3.7Å; K789-W793 HydrophobicContact CB-CD2 3.83Å; K789-W793 HydrophobicContact CB-CE3 4.31Å; K789-W793 HydrophobicContact CB-CG 3.52Å; K789-W793 HydrophobicContact CG-CD2 3.95Å; K789-W793 HydrophobicContact CG-CE3 4.35Å; K789-W793 HydrophobicContact CG-CG 4.11Å; G790-W793 PolarHBondContact O-N 2.79Å; M791-W793 VanDerWaalsContact C-N 3.33Å; W793-T795 HydrophobicContact CE3-CG2 3.86Å; W793-T795 HydrophobicContact CZ3-CG2 3.74Å; W793-T803 CarbonylContact O-C 3.52Å; W793-T803 VanDerWaalsContact O-CA 3.24Å; W793-T803 WeakPolarHBondContact O-CA 3.27Å; W793-V804 HydrophobicContact CB-CG2 4.26Å; W793-V804 HydrophobicContact CE3-CG2 4.07Å; W793-V804 PolarHBondContact O-N 3.46Å
794D85.4Confident81.5Confident46 Ų4664.9 Ų64.925%0.24633%0.333CS..BIsolated β-bridgetrans-83115.7179.7-169.7-3.5000110.4E792 Q796 G801 S802E792-D794 PolarHBondContact O-N 3.34Å; D794-Q796 VanDerWaalsContact C-N 3.28Å; D794-Q796 PolarHBondContact OD1-N 3.09Å; D794-G801 PolarHBondContact OD2-N 3.17Å; D794-S802 PolarHBondContact OD1-N 2.86Å
795T83Confident81.6Confident8 Ų865.8 Ų65.85%0.04934%0.34CS..  trans-78.1-12.9179.865.40000113.2V766 L785 W793 L797 S802 V804 L807V766-T795 WeakPolarHBondContact CG1-O 3.34Å; V766-T795 HydrophobicContact CG2-CG2 4.5Å; L785-T795 HydrophobicContact CD1-CG2 4.39Å; W793-T795 HydrophobicContact CE3-CG2 3.86Å; W793-T795 HydrophobicContact CZ3-CG2 3.74Å; T795-L797 PolarHBondContact O-N 3.4Å; T795-L797 WeakPolarHBondContact OG1-CB 3.44Å; T795-L797 PolarHBondContact OG1-N 3.27Å; T795-S802 WeakPolarHBondContact CB-O 3.45Å; T795-S802 PolarHBondContact N-O 2.85Å; T795-S802 PolarHBondContact OG1-O 2.76Å; T795-V804 HydrophobicContact CG2-CG2 4.25Å; T795-L807 HydrophobicContact CG2-CD1 3.6Å; T795-L807 WeakPolarHBondContact OG1-CD1 3.5Å
796Q81.1Confident81.6Confident148 Ų14867.9 Ų67.969%0.69236%0.355SS*.  trans56.812-174.8-53.4-176.61600115.2D794 Q798 G799D794-Q796 VanDerWaalsContact C-N 3.28Å; D794-Q796 PolarHBondContact OD1-N 3.09Å; Q796-Q798 PolarHBondContact O-N 3.39Å; Q796-G799 WeakPolarHBondContact CA-O 3.46Å; Q796-G799 PolarHBondContact O-N 3.27Å
797L75.9Confident81.6Confident44 Ų4466.5 Ų66.523%0.2335%0.349CS..THydrogen-bonded Turntrans-68.8-31.4-169.3-159.7151.9000112.8V766 L769 K770 T795V766-L797 HydrophobicContact CG1-CB 4.32Å; V766-L797 HydrophobicContact CG1-CD1 3.83Å; V766-L797 HydrophobicContact CG1-CG 4.3Å; V766-L797 WeakPolarHBondContact O-CD1 3.38Å; L769-L797 HydrophobicContact CB-CD1 4.23Å; L769-L797 HydrophobicContact CD2-CD1 3.9Å; L769-L797 HydrophobicContact CG-CD1 4.13Å; K770-L797 HydrophobicContact CB-CD1 4.22Å; K770-L797 HydrophobicContact CB-CD2 4.31Å; K770-L797 HydrophobicContact CB-CG 4.37Å; K770-L797 HydrophobicContact CG-CD2 4.35Å; T795-L797 PolarHBondContact O-N 3.4Å; T795-L797 WeakPolarHBondContact OG1-CB 3.44Å; T795-L797 PolarHBondContact OG1-N 3.27Å
798Q71.1Confident81.8Confident130 Ų13059.6 Ų59.661%0.60732%0.32SS*.THydrogen-bonded Turntrans-120.724.9174.4-51.1175.6-0.700112.4Q796 S802 E810Q796-Q798 PolarHBondContact O-N 3.39Å; Q798-S802 WeakPolarHBondContact CB-OG 3.45Å; Q798-S802 PolarHBondContact N-OG 2.9Å; Q798-S802 VanDerWaalsContact N-OG 3.17Å; Q798-E810 PolarHBondContact NE2-OE2 2.64Å
799G70.1Confident81.9Confident39 Ų3958.5 Ų58.540%0.40232%0.318SS..SBendtrans103.3-165.4-173.900000113.2Q796 G801Q796-G799 WeakPolarHBondContact CA-O 3.46Å; Q796-G799 PolarHBondContact O-N 3.27Å; G799-G801 PolarHBondContact O-N 3.32Å
800K57Low81.9Confident210 Ų21057.6 Ų57.691%0.91332%0.315SS*.THydrogen-bonded Turntrans-69.2128175.9-85.9-173.7175.1-178.20110.4
801G65.4Low82.1Confident49 Ų4956.5 Ų56.551%0.50530%0.303SS..THydrogen-bonded Turntrans103.98.4175.400000115.6D794 G799 T803D794-G801 PolarHBondContact OD2-N 3.17Å; G799-G801 PolarHBondContact O-N 3.32Å; G801-T803 PolarHBondContact O-N 2.96Å
802S81.4Confident82.3Confident9 Ų954.8 Ų54.86%0.06329%0.294CS..  trans-81.564.4171.6-59.70000110.7D794 T795 Q798D794-S802 PolarHBondContact OD1-N 2.86Å; T795-S802 WeakPolarHBondContact CB-O 3.45Å; T795-S802 PolarHBondContact N-O 2.85Å; T795-S802 PolarHBondContact OG1-O 2.76Å; Q798-S802 WeakPolarHBondContact CB-OG 3.45Å; Q798-S802 PolarHBondContact N-OG 2.9Å; Q798-S802 VanDerWaalsContact N-OG 3.17Å
803T88.6Confident82.2Confident28 Ų2852.8 Ų52.817%0.17228%0.284CS..BIsolated β-bridgetrans-67.4156.2179.165.20000111.8W793 G801 S805 S806 L807W793-T803 CarbonylContact O-C 3.52Å; W793-T803 VanDerWaalsContact O-CA 3.24Å; W793-T803 WeakPolarHBondContact O-CA 3.27Å; G801-T803 PolarHBondContact O-N 2.96Å; T803-S805 PolarHBondContact O-N 3.43Å; T803-S806 PolarHBondContact N-OG 3.32Å; T803-S806 PolarHBondContact O-N 3.01Å; T803-S806 PolarHBondContact O-OG 3.42Å; T803-S806 PolarHBondContact OG1-N 3Å; T803-L807 PolarHBondContact O-N 3.08Å
804V86.8Confident82.2Confident0 Ų053.3 Ų53.30%029%0.289CS..Hα-helixtrans-50.5-40.4172.2174.20000110.9L785 F786 M791 W793 T795 S806 L807 L808L785-V804 HydrophobicContact CB-CG2 4.01Å; F786-V804 HydrophobicContact CB-CG1 4.11Å; M791-V804 PolarHBondContact O-N 2.9Å; M791-V804 HydrophobicContact SD-CG1 4.43Å; W793-V804 HydrophobicContact CB-CG2 4.26Å; W793-V804 HydrophobicContact CE3-CG2 4.07Å; W793-V804 PolarHBondContact O-N 3.46Å; T795-V804 HydrophobicContact CG2-CG2 4.25Å; V804-S806 PolarHBondContact O-N 3.42Å; V804-L807 PolarHBondContact O-N 3.22Å; V804-L808 HydrophobicContact CG1-CD1 3.69Å; V804-L808 HydrophobicContact CG1-CG 4.27Å; V804-L808 WeakPolarHBondContact O-CB 3.47Å; V804-L808 WeakPolarHBondContact O-CD1 3.4Å; V804-L808 VanDerWaalsContact O-CG 3.24Å; V804-L808 WeakPolarHBondContact O-CG 3.49Å; V804-L808 PolarHBondContact O-N 2.84Å
805S86.4Confident82.3Confident33 Ų3351.1 Ų51.123%0.23128%0.277CS..Hα-helixtrans-60-43174.6179.70000113.9M791 T803 S809M791-S805 PolarHBondContact O-N 3.46Å; T803-S805 PolarHBondContact O-N 3.43Å; S805-S809 WeakPolarHBondContact O-CB 3.44Å; S805-S809 PolarHBondContact O-N 2.95Å; S805-S809 PolarHBondContact O-OG 3.03Å
806S87.8Confident82.4Confident44 Ų4450.9 Ų50.931%0.30828%0.277SS..Hα-helixtrans-66.1-42.9178.7740000111.9T803 V804 S809 E810T803-S806 PolarHBondContact N-OG 3.32Å; T803-S806 PolarHBondContact O-N 3.01Å; T803-S806 PolarHBondContact O-OG 3.42Å; T803-S806 PolarHBondContact OG1-N 3Å; V804-S806 PolarHBondContact O-N 3.42Å; S806-S809 WeakPolarHBondContact O-CB 3.34Å; S806-S809 PolarHBondContact O-N 2.98Å; S806-E810 PolarHBondContact O-N 3.46Å
807L88.8Confident82.5Confident15 Ų1549 Ų498%0.07927%0.271CS..Hα-helixtrans-68.8-38.8178.9-66.9174.6000111.6L769 L782 T795 T803 V804 S809 E810 L811L769-L807 HydrophobicContact CD2-CD1 4.06Å; L782-L807 HydrophobicContact CD1-CB 4.16Å; L782-L807 HydrophobicContact CD2-CB 3.89Å; L782-L807 HydrophobicContact CD2-CD1 4.03Å; T795-L807 HydrophobicContact CG2-CD1 3.6Å; T795-L807 WeakPolarHBondContact OG1-CD1 3.5Å; T803-L807 PolarHBondContact O-N 3.08Å; V804-L807 PolarHBondContact O-N 3.22Å; L807-S809 VanDerWaalsContact C-N 3.31Å; L807-S809 PolarHBondContact O-N 3.24Å; L807-E810 PolarHBondContact O-N 3.49Å; L807-L811 WeakPolarHBondContact O-CB 3.46Å; L807-L811 PolarHBondContact O-N 3.27Å
808L89.4Confident83Confident0 Ų052.1 Ų52.10%029%0.287CS..Hα-helixtrans-64.5-36.4172.7-75.6166.8000112.3L782 M791 V804 L811 Y812 I827 M830 L831L782-L808 HydrophobicContact CB-CD2 3.85Å; L782-L808 HydrophobicContact CB-CG 4.37Å; L782-L808 HydrophobicContact CD1-CD2 3.93Å; L782-L808 HydrophobicContact CD1-CG 4.26Å; L782-L808 HydrophobicContact CG-CD2 4.48Å; M791-L808 HydrophobicContact CE-CD1 4Å; M791-L808 HydrophobicContact SD-CD1 3.78Å; V804-L808 HydrophobicContact CG1-CD1 3.69Å; V804-L808 HydrophobicContact CG1-CG 4.27Å; V804-L808 WeakPolarHBondContact O-CB 3.47Å; V804-L808 WeakPolarHBondContact O-CD1 3.4Å; V804-L808 VanDerWaalsContact O-CG 3.24Å; V804-L808 WeakPolarHBondContact O-CG 3.49Å; V804-L808 PolarHBondContact O-N 2.84Å; L808-L811 PolarHBondContact O-N 3.32Å; L808-Y812 VanDerWaalsContact O-CB 3.22Å; L808-Y812 WeakPolarHBondContact O-CB 3.47Å; L808-Y812 PolarHBondContact O-N 3.31Å; L808-I827 HydrophobicContact CB-CG2 4.35Å; L808-I827 HydrophobicContact CD2-CG2 4.15Å; L808-I827 WeakPolarHBondContact O-CG2 3.43Å; L808-M830 HydrophobicContact CD1-CB 4.23Å; L808-M830 HydrophobicContact CD1-CE 3.55Å; L808-M830 HydrophobicContact CD2-CE 3.29Å; L808-M830 HydrophobicContact CD2-SD 4.06Å; L808-M830 HydrophobicContact CG-CE 4.01Å; L808-L831 HydrophobicContact CB-CD2 3.79Å; L808-L831 HydrophobicContact CB-CG 4.22Å
809S88.3Confident83.7Confident51 Ų5148.9 Ų48.936%0.35727%0.271SS..Hα-helixtrans-66.8-40.9175-58.30000111.2S805 S806 L807 Y812 E813S805-S809 WeakPolarHBondContact O-CB 3.44Å; S805-S809 PolarHBondContact O-N 2.95Å; S805-S809 PolarHBondContact O-OG 3.03Å; S806-S809 WeakPolarHBondContact O-CB 3.34Å; S806-S809 PolarHBondContact O-N 2.98Å; L807-S809 VanDerWaalsContact C-N 3.31Å; L807-S809 PolarHBondContact O-N 3.24Å; S809-Y812 WeakPolarHBondContact O-CB 3.44Å; S809-Y812 PolarHBondContact O-N 2.78Å; S809-E813 WeakPolarHBondContact O-CG 3.45Å; S809-E813 PolarHBondContact O-N 3.44Å
810E87.8Confident84.6Confident71 Ų7150 Ų5033%0.33227%0.266SS..Hα-helixtrans-64.4-43.9174.2-170.1-172.3157.600111.7Q798 S806 L807 Y812 E813 K814Q798-E810 PolarHBondContact NE2-OE2 2.64Å; S806-E810 PolarHBondContact O-N 3.46Å; L807-E810 PolarHBondContact O-N 3.49Å; E810-Y812 VanDerWaalsContact C-N 3.32Å; E810-Y812 PolarHBondContact O-N 3.12Å; E810-E813 PolarHBondContact O-N 3.45Å; E810-K814 WeakPolarHBondContact O-CG 3.41Å; E810-K814 PolarHBondContact O-N 3.03Å; E810-K814 VanDerWaalsContact O-N 3.12Å; E810-K814 WeakPolarHBondContact OE1-CE 3.22Å; E810-K814 IonicContact OE1-NZ 2.65Å; E810-K814 PolarHBondContact OE1-NZ 3.3Å
811L89.5Confident86.2Confident3 Ų341.4 Ų41.42%0.01623%0.228CC..Hα-helixtrans-66.2-35.5177.7-173.560.4000112L775 Q778 A779 L782 L807 L808 K814 A815 I827L775-L811 HydrophobicContact CB-CD1 4.12Å; L775-L811 HydrophobicContact CD1-CD1 4.48Å; L775-L811 HydrophobicContact CD2-CD1 3.7Å; L775-L811 HydrophobicContact CG-CD1 4.31Å; Q778-L811 HydrophobicContact CB-CD1 4.29Å; Q778-L811 HydrophobicContact CB-CD2 4.16Å; A779-L811 HydrophobicContact CB-CD2 3.78Å; L782-L811 HydrophobicContact CD1-CB 4.45Å; L782-L811 HydrophobicContact CD1-CD2 3.8Å; L807-L811 WeakPolarHBondContact O-CB 3.46Å; L807-L811 PolarHBondContact O-N 3.27Å; L808-L811 PolarHBondContact O-N 3.32Å; L811-K814 PolarHBondContact O-N 3.3Å; L811-A815 VanDerWaalsContact O-CB 3.26Å; L811-A815 WeakPolarHBondContact O-CB 3.36Å; L811-A815 PolarHBondContact O-N 3.34Å; L811-I827 HydrophobicContact CB-CD1 4.34Å; L811-I827 HydrophobicContact CD2-CD1 3.93Å; L811-I827 HydrophobicContact CD2-CG1 4.48Å; L811-I827 HydrophobicContact CG-CD1 3.7Å
812Y89.5Confident87.3Confident7 Ų740.3 Ų40.33%0.02722%0.217CC..Hα-helixtrans-58.6-47.7174174.9-98.8000111.8Y531 L808 S809 E810 A815 G816 I824 I827 S828 L831 K833Y531-Y812 WeakPolarHBondContact CB-OH 3.41Å; Y531-Y812 HydrophobicContact CD1-CE2 4.22Å; Y531-Y812 PolarHBondContact N-OH 3.01Å; L808-Y812 VanDerWaalsContact O-CB 3.22Å; L808-Y812 WeakPolarHBondContact O-CB 3.47Å; L808-Y812 PolarHBondContact O-N 3.31Å; S809-Y812 WeakPolarHBondContact O-CB 3.44Å; S809-Y812 PolarHBondContact O-N 2.78Å; E810-Y812 VanDerWaalsContact C-N 3.32Å; E810-Y812 PolarHBondContact O-N 3.12Å; Y812-A815 PolarHBondContact O-N 2.87Å; Y812-G816 PolarHBondContact O-N 3.31Å; Y812-I824 HydrophobicContact CD2-CG2 4.35Å; Y812-I824 HydrophobicContact CE2-CG2 3.84Å; Y812-I827 HydrophobicContact CD2-CG2 4.24Å; Y812-I827 HydrophobicContact CG-CG2 4.49Å; Y812-S828 WeakPolarHBondContact CE2-OG 3.27Å; Y812-L831 HydrophobicContact CD2-CD1 4.48Å; Y812-L831 HydrophobicContact CG-CD1 4.32Å; Y812-K833 HydrophobicContact CE1-CD 4.49Å; Y812-K833 HydrophobicContact CE2-CD 3.93Å; Y812-K833 VanDerWaalsContact CZ-NZ 3.33Å; Y812-K833 PolarHBondContact OH-NZ 2.98Å
813E85.3Confident87.6Confident102 Ų10240.4 Ų40.448%0.47722%0.217SC..Hα-helixtrans-62.7-46.3177.1-63.4-63.3149.400110.9S809 E810 A815 G816 D817S809-E813 WeakPolarHBondContact O-CG 3.45Å; S809-E813 PolarHBondContact O-N 3.44Å; E810-E813 PolarHBondContact O-N 3.45Å; E813-A815 PolarHBondContact O-N 2.99Å; E813-G816 WeakPolarHBondContact O-CA 3.37Å; E813-G816 PolarHBondContact O-N 2.87Å; E813-D817 PolarHBondContact O-N 2.82Å
814K87.3Confident87.7Confident82 Ų8239 Ų3936%0.35721%0.208SC..Hα-helixtrans-61.7-45.3177.7-70.1176.4-174.3168.10112.9L775 E810 L811 G816 D817 L818L775-K814 HydrophobicContact CD1-CB 4.18Å; L775-K814 HydrophobicContact CD2-CD 4.49Å; E810-K814 WeakPolarHBondContact O-CG 3.41Å; E810-K814 PolarHBondContact O-N 3.03Å; E810-K814 VanDerWaalsContact O-N 3.12Å; E810-K814 WeakPolarHBondContact OE1-CE 3.22Å; E810-K814 IonicContact OE1-NZ 2.65Å; E810-K814 PolarHBondContact OE1-NZ 3.3Å; L811-K814 PolarHBondContact O-N 3.3Å; K814-G816 VanDerWaalsContact C-N 3.26Å; K814-G816 PolarHBondContact O-N 3.21Å; K814-D817 PolarHBondContact O-N 3.47Å; K814-L818 PolarHBondContact O-N 2.84Å; K814-L818 VanDerWaalsContact O-N 3.13Å
815A88.1Confident87.9Confident0 Ų039 Ų390%021%0.208CC..Hα-helixtrans-64.9-35.1176.900000111.1L811 Y812 E813 L818 K819 Q820 L823 I824 I827L811-A815 VanDerWaalsContact O-CB 3.26Å; L811-A815 WeakPolarHBondContact O-CB 3.36Å; L811-A815 PolarHBondContact O-N 3.34Å; Y812-A815 PolarHBondContact O-N 2.87Å; E813-A815 PolarHBondContact O-N 2.99Å; A815-L818 CarbonylContact O-C 3.6Å; A815-K819 PolarHBondContact O-N 3.3Å; A815-Q820 PolarHBondContact O-N 3.33Å; A815-L823 HydrophobicContact CB-CB 4.38Å; A815-I824 HydrophobicContact CB-CG1 3.85Å; A815-I824 WeakPolarHBondContact O-CD1 3.13Å; A815-I827 HydrophobicContact CB-CD1 4.15Å
816G85.3Confident88Confident4 Ų438.9 Ų38.94%0.04120%0.204CC..Hα-helixtrans-60.7-50.2171.800000113.2Y812 E813 K814 L818 K819Y812-G816 PolarHBondContact O-N 3.31Å; E813-G816 WeakPolarHBondContact O-CA 3.37Å; E813-G816 PolarHBondContact O-N 2.87Å; K814-G816 VanDerWaalsContact C-N 3.26Å; K814-G816 PolarHBondContact O-N 3.21Å; G816-L818 VanDerWaalsContact C-N 3.28Å; G816-L818 PolarHBondContact O-N 3.46Å; G816-K819 PolarHBondContact O-N 3.49Å
817D82.7Confident88.1Confident107 Ų10736.8 Ų36.857%0.57219%0.19SC*.Hα-helixtrans-58.7-39.5177.3-78-23.1000112E813 K814 K819E813-D817 PolarHBondContact O-N 2.82Å; K814-D817 PolarHBondContact O-N 3.47Å; D817-K819 VanDerWaalsContact C-N 3.31Å
818L85.9Confident88.2Confident110 Ų11036.1 Ų36.158%0.57619%0.186SC*.THydrogen-bonded Turntrans-84.8-0.2176.3-61.4-175000113.9L775 K814 A815 G816 Q820L775-L818 HydrophobicContact CD1-CD1 3.6Å; L775-L818 HydrophobicContact CG-CD1 4.43Å; K814-L818 PolarHBondContact O-N 2.84Å; K814-L818 VanDerWaalsContact O-N 3.13Å; A815-L818 CarbonylContact O-C 3.6Å; G816-L818 VanDerWaalsContact C-N 3.28Å; G816-L818 PolarHBondContact O-N 3.46Å; L818-Q820 HydrophobicContact CB-CG 4.09Å; L818-Q820 PolarHBondContact O-N 2.93Å
819K86.4Confident88.1Confident62 Ų6236.6 Ų36.627%0.2719%0.191SC..THydrogen-bonded Turntrans52.136.9-179-60.1177.1-179.5170.60113.6A815 G816 D817 W821A815-K819 PolarHBondContact O-N 3.3Å; G816-K819 PolarHBondContact O-N 3.49Å; D817-K819 VanDerWaalsContact C-N 3.31Å; K819-W821 VanDerWaalsContact C-N 3.35Å; K819-W821 HydrophobicContact CB-CH2 4.38Å; K819-W821 HydrophobicContact CB-CZ2 3.79Å; K819-W821 HydrophobicContact CD-CZ2 4.28Å; K819-W821 HydrophobicContact CG-CH2 4.34Å; K819-W821 HydrophobicContact CG-CZ2 4.05Å; K819-W821 VanDerWaalsContact O-CD1 3.31Å; K819-W821 PolarHBondContact O-N 3.03Å; K819-W821 PolarHBondContact O-NE1 3.25Å
820Q88.9Confident88.1Confident64 Ų6434.2 Ų34.230%0.29917%0.174SC..  trans-80.578.2177.2-70.2-177.3-20.500110.7A815 L818 G822 L823 I824A815-Q820 PolarHBondContact O-N 3.33Å; L818-Q820 HydrophobicContact CB-CG 4.09Å; L818-Q820 PolarHBondContact O-N 2.93Å; Q820-G822 VanDerWaalsContact C-N 3.35Å; Q820-G822 PolarHBondContact O-N 3.21Å; Q820-L823 HydrophobicContact CB-CB 4.23Å; Q820-L823 HydrophobicContact CB-CD1 4.27Å; Q820-L823 PolarHBondContact O-N 3.26Å; Q820-L823 VanDerWaalsContact O-N 3.08Å; Q820-I824 WeakPolarHBondContact O-CG1 3.17Å; Q820-I824 PolarHBondContact O-N 3.41Å
821W91.2Very high88.1Confident28 Ų2832.4 Ų32.411%0.10617%0.167CC..Hα-helixtrans-56.7-38.8-168-53.5112.9000115.4Y531 L534 D535 K819 I824 R825 P949Y531-W821 HydrophobicContact CD2-CE3 4.4Å; Y531-W821 HydrophobicContact CD2-CZ3 4.35Å; L534-W821 HydrophobicContact CB-CH2 4.03Å; L534-W821 HydrophobicContact CB-CZ3 4.15Å; D535-W821 HydrophobicContact CB-CH2 3.8Å; D535-W821 HydrophobicContact CB-CZ2 4.15Å; K819-W821 VanDerWaalsContact C-N 3.35Å; K819-W821 HydrophobicContact CB-CH2 4.38Å; K819-W821 HydrophobicContact CB-CZ2 3.79Å; K819-W821 HydrophobicContact CD-CZ2 4.28Å; K819-W821 HydrophobicContact CG-CH2 4.34Å; K819-W821 HydrophobicContact CG-CZ2 4.05Å; K819-W821 VanDerWaalsContact O-CD1 3.31Å; K819-W821 PolarHBondContact O-N 3.03Å; K819-W821 PolarHBondContact O-NE1 3.25Å; W821-I824 HydrophobicContact CE3-CD1 3.81Å; W821-I824 HydrophobicContact CZ3-CD1 4.11Å; W821-I824 PolarHBondContact O-N 2.97Å; W821-R825 WeakPolarHBondContact O-CG 2.99Å; W821-R825 PolarHBondContact O-N 3.18Å; W821-P949 HydrophobicContact CE3-CG 4.24Å; W821-P949 HydrophobicContact CZ3-CG 4.1Å
822G88.3Confident87.9Confident27 Ų2739.3 Ų39.328%0.27820%0.197SC..Hα-helixtrans-61.4-44.6176.900000112.3Q820 R825 M826 M945Q820-G822 VanDerWaalsContact C-N 3.35Å; Q820-G822 PolarHBondContact O-N 3.21Å; G822-R825 PolarHBondContact O-N 3.27Å; G822-M826 PolarHBondContact O-N 2.87Å; G822-M826 VanDerWaalsContact O-N 3.14Å; G822-M945 VanDerWaalsContact CA-O 3.27Å; G822-M945 WeakPolarHBondContact CA-O 3.44Å; G822-M945 PolarHBondContact N-O 2.67Å
823L88.5Confident87.7Confident10 Ų1040.7 Ų40.75%0.05220%0.203CC..Hα-helixtrans-68.3-42.9176.4-78.6174.7000112.1L775 Q776 A779 A815 Q820 R825 M826 I827L775-L823 HydrophobicContact CB-CD1 4.18Å; Q776-L823 HydrophobicContact CB-CD1 4.36Å; A779-L823 HydrophobicContact CB-CD2 3.54Å; A815-L823 HydrophobicContact CB-CB 4.38Å; Q820-L823 HydrophobicContact CB-CB 4.23Å; Q820-L823 HydrophobicContact CB-CD1 4.27Å; Q820-L823 PolarHBondContact O-N 3.26Å; Q820-L823 VanDerWaalsContact O-N 3.08Å; L823-R825 VanDerWaalsContact C-N 3.31Å; L823-R825 PolarHBondContact O-N 3.04Å; L823-M826 HydrophobicContact CD2-CE 3.73Å; L823-M826 PolarHBondContact O-N 2.88Å; L823-I827 WeakPolarHBondContact O-CB 3.19Å; L823-I827 WeakPolarHBondContact O-CD1 3.49Å; L823-I827 VanDerWaalsContact O-CG1 3.24Å; L823-I827 WeakPolarHBondContact O-CG1 3.39Å; L823-I827 PolarHBondContact O-N 2.67Å
824I90.6Very high87.6Confident0 Ų039.8 Ų39.80%020%0.197CC..Hα-helixtrans-58-44.1176.6-64.3166000110.8Y531 Y812 A815 Q820 W821 S828Y531-I824 HydrophobicContact CD1-CG2 3.39Å; Y531-I824 HydrophobicContact CD2-CG2 3.86Å; Y531-I824 HydrophobicContact CE1-CG2 3.96Å; Y531-I824 HydrophobicContact CE2-CG2 4.4Å; Y531-I824 HydrophobicContact CG-CG2 3.33Å; Y812-I824 HydrophobicContact CD2-CG2 4.35Å; Y812-I824 HydrophobicContact CE2-CG2 3.84Å; A815-I824 HydrophobicContact CB-CG1 3.85Å; A815-I824 WeakPolarHBondContact O-CD1 3.13Å; Q820-I824 WeakPolarHBondContact O-CG1 3.17Å; Q820-I824 PolarHBondContact O-N 3.41Å; W821-I824 HydrophobicContact CE3-CD1 3.81Å; W821-I824 HydrophobicContact CZ3-CD1 4.11Å; W821-I824 PolarHBondContact O-N 2.97Å; I824-S828 WeakPolarHBondContact O-CB 3.19Å; I824-S828 PolarHBondContact O-N 3.4Å; I824-S828 PolarHBondContact O-OG 2.9Å
825R90.6Very high87.3Confident0 Ų036.3 Ų36.30%018%0.183CC..Hα-helixtrans-61.6-45.6176.4-78.5179.5-179.9104.36112Y531 W821 G822 L823 S828 G829 I890 E894 M945 L947Y531-R825 WeakPolarHBondContact OH-CG 3.28Å; W821-R825 WeakPolarHBondContact O-CG 2.99Å; W821-R825 PolarHBondContact O-N 3.18Å; G822-R825 PolarHBondContact O-N 3.27Å; L823-R825 VanDerWaalsContact C-N 3.31Å; L823-R825 PolarHBondContact O-N 3.04Å; R825-S828 PolarHBondContact O-N 3.37Å; R825-G829 PolarHBondContact O-N 2.83Å; R825-I890 HydrophobicContact CB-CG2 4.38Å; R825-I890 HydrophobicContact CG-CG2 4.13Å; R825-E894 IonicContact CZ-OE1 2.74Å; R825-E894 IonicContact CZ-OE2 3.84Å; R825-E894 IonicContact NE-OE1 3.58Å; R825-E894 PolarHBondContact NE-OE1 2.89Å; R825-E894 IonicContact NE-OE2 3.87Å; R825-E894 IonicContact NH2-OE1 3.52Å; R825-E894 PolarHBondContact NH2-OE1 3.5Å; R825-E894 IonicContact NH2-OE2 2.78Å; R825-E894 PolarHBondContact NH2-OE2 2.8Å; R825-M945 PolarHBondContact NH1-O 3.36Å; R825-L947 PolarHBondContact NH1-O 2.92Å; R825-L947 PolarHBondContact NH2-O 3.31Å; R825-L947 VanDerWaalsContact NH2-O 3.09Å
826M88.9Confident86.4Confident29 Ų2937.1 Ų37.114%0.14319%0.187CC..Hα-helixtrans-61.7-51.6178.7-172.7174.877.200111.5A779 G822 L823 S828 G829 M830 I886A779-M826 HydrophobicContact CB-CE 3.38Å; G822-M826 PolarHBondContact O-N 2.87Å; G822-M826 VanDerWaalsContact O-N 3.14Å; L823-M826 HydrophobicContact CD2-CE 3.73Å; L823-M826 PolarHBondContact O-N 2.88Å; M826-S828 VanDerWaalsContact C-N 3.29Å; M826-S828 PolarHBondContact O-N 3.41Å; M826-G829 PolarHBondContact O-N 2.98Å; M826-G829 VanDerWaalsContact O-N 3.14Å; M826-M830 HydrophobicContact CG-SD 4.43Å; M826-M830 WeakPolarHBondContact O-CG 3.36Å; M826-M830 PolarHBondContact O-N 3.15Å; M826-I886 HydrophobicContact CG-CD1 3.79Å
827I90.2Very high85.8Confident1 Ų139.3 Ų39.31%0.00520%0.196CC..Hα-helixtrans-62.8-38.7179.3-61.4160.4000110.6L808 L811 Y812 A815 L823 G829 M830 L831L808-I827 HydrophobicContact CB-CG2 4.35Å; L808-I827 HydrophobicContact CD2-CG2 4.15Å; L808-I827 WeakPolarHBondContact O-CG2 3.43Å; L811-I827 HydrophobicContact CB-CD1 4.34Å; L811-I827 HydrophobicContact CD2-CD1 3.93Å; L811-I827 HydrophobicContact CD2-CG1 4.48Å; L811-I827 HydrophobicContact CG-CD1 3.7Å; Y812-I827 HydrophobicContact CD2-CG2 4.24Å; Y812-I827 HydrophobicContact CG-CG2 4.49Å; A815-I827 HydrophobicContact CB-CD1 4.15Å; L823-I827 WeakPolarHBondContact O-CB 3.19Å; L823-I827 WeakPolarHBondContact O-CD1 3.49Å; L823-I827 VanDerWaalsContact O-CG1 3.24Å; L823-I827 WeakPolarHBondContact O-CG1 3.39Å; L823-I827 PolarHBondContact O-N 2.67Å; I827-G829 VanDerWaalsContact C-N 3.31Å; I827-G829 PolarHBondContact O-N 2.88Å; I827-M830 PolarHBondContact O-N 3.43Å; I827-L831 HydrophobicContact CG2-CD1 3.85Å; I827-L831 HydrophobicContact CG2-CG 4.22Å; I827-L831 WeakPolarHBondContact O-CB 3.3Å; I827-L831 WeakPolarHBondContact O-CG 3.24Å; I827-L831 PolarHBondContact O-N 3.14Å
828S89.6Confident85.9Confident0 Ų034.5 Ų34.50%017%0.17CC..Hα-helixtrans-59.9-41.2175.4-63.70000112.3Y531 Y812 I824 R825 M826 L831 K832 K833Y531-S828 WeakPolarHBondContact CD1-OG 3.49Å; Y531-S828 WeakPolarHBondContact CE1-OG 3.47Å; Y812-S828 WeakPolarHBondContact CE2-OG 3.27Å; I824-S828 WeakPolarHBondContact O-CB 3.19Å; I824-S828 PolarHBondContact O-N 3.4Å; I824-S828 PolarHBondContact O-OG 2.9Å; R825-S828 PolarHBondContact O-N 3.37Å; M826-S828 VanDerWaalsContact C-N 3.29Å; M826-S828 PolarHBondContact O-N 3.41Å; S828-L831 CarbonylContact O-C 3.54Å; S828-L831 PolarHBondContact O-N 3.38Å; S828-K832 PolarHBondContact O-N 3.02Å; S828-K833 PolarHBondContact O-N 2.5Å
829G87.6Confident85.5Confident10 Ų1031.4 Ų31.410%0.10315%0.154CC..Hα-helixtrans-66.3-39.3175.800000112.4R825 M826 I827 K832R825-G829 PolarHBondContact O-N 2.83Å; M826-G829 PolarHBondContact O-N 2.98Å; M826-G829 VanDerWaalsContact O-N 3.14Å; I827-G829 VanDerWaalsContact C-N 3.31Å; I827-G829 PolarHBondContact O-N 2.88Å; G829-K832 PolarHBondContact O-N 3.16Å; G829-K832 VanDerWaalsContact O-N 3.15Å
830M87.7Confident85.1Confident1 Ų130 Ų301%0.00515%0.152CC..Hα-helixtrans-64.8-41.9174.1-63.8169.357.600112.4Y783 F786 L808 M826 I827 K832 I886Y783-M830 HydrophobicContact CD2-CG 4.38Å; Y783-M830 HydrophobicContact CD2-SD 3.99Å; F786-M830 HydrophobicContact CB-CE 3.72Å; F786-M830 HydrophobicContact CD1-CE 4.11Å; F786-M830 HydrophobicContact CD1-CG 4.16Å; F786-M830 HydrophobicContact CE1-CG 4.28Å; F786-M830 HydrophobicContact CG-CE 4Å; L808-M830 HydrophobicContact CD1-CB 4.23Å; L808-M830 HydrophobicContact CD1-CE 3.55Å; L808-M830 HydrophobicContact CD2-CE 3.29Å; L808-M830 HydrophobicContact CD2-SD 4.06Å; L808-M830 HydrophobicContact CG-CE 4.01Å; M826-M830 HydrophobicContact CG-SD 4.43Å; M826-M830 WeakPolarHBondContact O-CG 3.36Å; M826-M830 PolarHBondContact O-N 3.15Å; I827-M830 PolarHBondContact O-N 3.43Å; M830-K832 PolarHBondContact O-N 2.79Å; M830-I886 HydrophobicContact CG-CD1 3.47Å; M830-I886 VanDerWaalsContact CG-CD1 3.47Å; M830-I886 HydrophobicContact SD-CD1 4.27Å
831L87.6Confident84.9Confident33 Ų3327.1 Ų27.117%0.17314%0.139CC..THydrogen-bonded Turntrans-73.4-3.6175.1-69.4175.3000113.3M791 L808 Y812 I827 S828 K833M791-L831 HydrophobicContact CE-CD2 3.77Å; L808-L831 HydrophobicContact CB-CD2 3.79Å; L808-L831 HydrophobicContact CB-CG 4.22Å; Y812-L831 HydrophobicContact CD2-CD1 4.48Å; Y812-L831 HydrophobicContact CG-CD1 4.32Å; I827-L831 HydrophobicContact CG2-CD1 3.85Å; I827-L831 HydrophobicContact CG2-CG 4.22Å; I827-L831 WeakPolarHBondContact O-CB 3.3Å; I827-L831 WeakPolarHBondContact O-CG 3.24Å; I827-L831 PolarHBondContact O-N 3.14Å; S828-L831 CarbonylContact O-C 3.54Å; S828-L831 PolarHBondContact O-N 3.38Å; L831-K833 HydrophobicContact CB-CG 4.03Å; L831-K833 HydrophobicContact CD1-CD 4.49Å; L831-K833 PolarHBondContact O-N 3Å
832K85.6Confident84.7Confident148 Ų14825.8 Ų25.864%0.64313%0.134SC*.THydrogen-bonded Turntrans50.937.9-173.9-59-173.5176.2-172.90112.8S828 G829 M830S828-K832 PolarHBondContact O-N 3.02Å; G829-K832 PolarHBondContact O-N 3.16Å; G829-K832 VanDerWaalsContact O-N 3.15Å; M830-K832 PolarHBondContact O-N 2.79Å
833K85.2Confident84.2Confident37 Ų3724.8 Ų24.816%0.16112%0.123CC..  trans-64140.9175.4-76.3-171.9167-125.10109.6Q529 F530 Y812 S828 L831 I890Q529-K833 PolarHBondContact O-NZ 2.87Å; F530-K833 HydrophobicContact CD2-CB 4.24Å; F530-K833 HydrophobicContact CE2-CB 4.37Å; Y812-K833 HydrophobicContact CE1-CD 4.49Å; Y812-K833 HydrophobicContact CE2-CD 3.93Å; Y812-K833 VanDerWaalsContact CZ-NZ 3.33Å; Y812-K833 PolarHBondContact OH-NZ 2.98Å; S828-K833 PolarHBondContact O-N 2.5Å; L831-K833 HydrophobicContact CB-CG 4.03Å; L831-K833 HydrophobicContact CD1-CD 4.49Å; L831-K833 PolarHBondContact O-N 3Å; K833-I890 WeakPolarHBondContact O-CD1 3.49Å
834K83Confident83.7Confident82 Ų8224.9 Ų24.936%0.35712%0.123SC..  trans-113.6136.7179-64.9170.6-174.7162.10109F530 E836 D872 A875F530-K834 WeakPolarHBondContact CD2-O 3.38Å; K834-E836 PolarHBondContact O-N 3Å; K834-D872 IonicContact NZ-OD1 2.66Å; K834-D872 PolarHBondContact NZ-OD1 3.12Å; K834-A875 HydrophobicContact CD-CB 4.24Å; K834-A875 HydrophobicContact CG-CB 4.3Å
835V81.8Confident83.5Confident9 Ų924.9 Ų24.96%0.05512%0.123CC..  trans-63.5134.2170.3-173.10000108.6F530 L532 E837 L838 Q893 V897F530-V835 HydrophobicContact CD1-CG2 4.16Å; F530-V835 HydrophobicContact CD2-CG2 4.17Å; F530-V835 HydrophobicContact CE1-CG2 3.66Å; F530-V835 HydrophobicContact CE2-CB 4.47Å; F530-V835 HydrophobicContact CE2-CG2 3.64Å; F530-V835 HydrophobicContact CG-CG2 4.41Å; F530-V835 HydrophobicContact CZ-CB 4.49Å; F530-V835 HydrophobicContact CZ-CG2 3.37Å; L532-V835 HydrophobicContact CD1-CG1 4.09Å; V835-E837 VanDerWaalsContact C-N 3.29Å; V835-E837 PolarHBondContact O-N 3.2Å; V835-L838 HydrophobicContact CB-CB 4.41Å; V835-L838 WeakPolarHBondContact O-CB 3.33Å; V835-L838 PolarHBondContact O-N 3.21Å; V835-Q893 HydrophobicContact CG2-CB 3.65Å; V835-V897 HydrophobicContact CB-CG2 4.33Å; V835-V897 HydrophobicContact CG1-CG2 3.73Å
836E69.6Low83.1Confident18 Ų1825.5 Ų25.58%0.08413%0.127CC..THydrogen-bonded Turntrans-57.5-37.2-171.4-74.3-154.2157.400115.2R501 Q523 Q529 K834R501-E836 WeakPolarHBondContact CD-O 3.44Å; R501-E836 PolarHBondContact NE-O 3.43Å; R501-E836 IonicContact NH1-OE1 2.67Å; R501-E836 PolarHBondContact NH1-OE1 3.37Å; R501-E836 IonicContact NH1-OE2 3.71Å; R501-E836 PolarHBondContact NH1-OE2 2.91Å; Q523-E836 WeakPolarHBondContact CG-OE2 3.27Å; Q523-E836 PolarHBondContact NE2-OE2 3.02Å; Q529-E836 HydrophobicContact CB-CG 3.96Å; Q529-E836 WeakPolarHBondContact CB-OE1 3.21Å; Q529-E836 WeakPolarHBondContact CG-OE1 3.4Å; Q529-E836 PolarHBondContact OE1-OE1 3.06Å; K834-E836 PolarHBondContact O-N 3Å
837E73.1Confident82.2Confident50 Ų5024.5 Ų24.523%0.23412%0.123CC..THydrogen-bonded Turntrans-102.918.9-176.3-62.7-176.9172.500112.4V835 D839 S840 A841V835-E837 VanDerWaalsContact C-N 3.29Å; V835-E837 PolarHBondContact O-N 3.2Å; E837-D839 PolarHBondContact O-N 3.33Å; E837-S840 PolarHBondContact O-N 3.33Å; E837-A841 WeakPolarHBondContact O-CB 3Å; E837-A841 PolarHBondContact O-N 2.84Å
838L83.7Confident81.6Confident5 Ų526 Ų263%0.02613%0.13CC..Hα-helixtrans-60.4-46.9-170.5-169.970.9000113.5V835 A841 C842 L874 I878 Q893 M896V835-L838 HydrophobicContact CB-CB 4.41Å; V835-L838 WeakPolarHBondContact O-CB 3.33Å; V835-L838 PolarHBondContact O-N 3.21Å; L838-A841 PolarHBondContact O-N 2.95Å; L838-C842 WeakPolarHBondContact O-CB 3.38Å; L838-C842 PolarHBondContact O-N 3.24Å; L838-L874 HydrophobicContact CD2-CD2 4.19Å; L838-L874 HydrophobicContact CD2-CG 4.28Å; L838-L874 HydrophobicContact CG-CD2 3.95Å; L838-I878 HydrophobicContact CD2-CD1 4.05Å; L838-Q893 HydrophobicContact CD1-CB 3.63Å; L838-Q893 HydrophobicContact CD1-CG 3.75Å; L838-Q893 HydrophobicContact CD2-CG 3.84Å; L838-Q893 HydrophobicContact CG-CG 4.47Å; L838-M896 HydrophobicContact CD1-CE 3.13Å; L838-M896 HydrophobicContact CD2-CE 4.4Å; L838-M896 HydrophobicContact CG-CE 3.54Å
839D78.1Confident81Confident45 Ų4527.2 Ų27.224%0.24114%0.136CC..Hα-helixtrans-70.9-36.1179.166.4-48.5000111.7E837 S843 P871E837-D839 PolarHBondContact O-N 3.33Å; D839-S843 VanDerWaalsContact O-CB 3.31Å; D839-S843 WeakPolarHBondContact O-CB 3.37Å; D839-S843 PolarHBondContact O-N 2.8Å; D839-S843 PolarHBondContact O-OG 3.18Å; D839-P871 HydrophobicContact CB-CB 4.26Å; D839-P871 HydrophobicContact CB-CG 3.78Å
840S76.6Confident80.9Confident32 Ų3227.8 Ų27.822%0.22414%0.135CC..Hα-helixtrans-63.9-46.1171.9-167.30000111.3E837 C842 S843 D844E837-S840 PolarHBondContact O-N 3.33Å; S840-C842 PolarHBondContact O-N 3.42Å; S840-S843 CarbonylContact O-C 3.59Å; S840-S843 WeakPolarHBondContact O-CB 3.38Å; S840-S843 PolarHBondContact O-N 3.06Å; S840-S843 VanDerWaalsContact O-N 3.15Å; S840-D844 WeakPolarHBondContact O-CB 3.47Å; S840-D844 VanDerWaalsContact O-CG 3.31Å; S840-D844 PolarHBondContact O-N 2.91Å
841A85.1Confident80.9Confident4 Ų429.3 Ų29.33%0.03314%0.142CC..Hα-helixtrans-62-44.1177.900000111.7E837 L838 S843 D844 L845 V897 A900E837-A841 WeakPolarHBondContact O-CB 3Å; E837-A841 PolarHBondContact O-N 2.84Å; L838-A841 PolarHBondContact O-N 2.95Å; A841-S843 VanDerWaalsContact C-N 3.34Å; A841-D844 PolarHBondContact O-N 3.46Å; A841-L845 VanDerWaalsContact O-CG 3.31Å; A841-L845 WeakPolarHBondContact O-CG 3.43Å; A841-L845 PolarHBondContact O-N 2.84Å; A841-V897 HydrophobicContact CB-CB 4.49Å; A841-V897 HydrophobicContact CB-CG2 3.92Å; A841-A900 HydrophobicContact CB-CB 3.49Å; A841-A900 VanDerWaalsContact CB-CB 3.49Å
842C86.8Confident81.1Confident1 Ų127.7 Ų27.71%0.00713%0.134CC..Hα-helixtrans-60.2-45.5172.8-176.20000111.2L838 S840 L846 L874 M896L838-C842 WeakPolarHBondContact O-CB 3.38Å; L838-C842 PolarHBondContact O-N 3.24Å; S840-C842 PolarHBondContact O-N 3.42Å; C842-L846 WeakPolarHBondContact O-CB 3.47Å; C842-L846 WeakPolarHBondContact O-CD1 3.23Å; C842-L846 WeakPolarHBondContact O-CG 3.35Å; C842-L846 PolarHBondContact O-N 3.47Å; C842-L874 HydrophobicContact CB-CD2 3.71Å; C842-M896 HydrophobicContact CB-CE 4.18Å; C842-M896 HydrophobicContact CB-SD 4.03Å
843S78.3Confident81.3Confident5 Ų520.7 Ų20.74%0.03510%0.103CC..Hα-helixtrans-63.6-44.3178.8-59.30000111.9D839 S840 A841 L846 A847D839-S843 VanDerWaalsContact O-CB 3.31Å; D839-S843 WeakPolarHBondContact O-CB 3.37Å; D839-S843 PolarHBondContact O-N 2.8Å; D839-S843 PolarHBondContact O-OG 3.18Å; S840-S843 CarbonylContact O-C 3.59Å; S840-S843 WeakPolarHBondContact O-CB 3.38Å; S840-S843 PolarHBondContact O-N 3.06Å; S840-S843 VanDerWaalsContact O-N 3.15Å; A841-S843 VanDerWaalsContact C-N 3.34Å; S843-L846 PolarHBondContact O-N 3.02Å; S843-A847 WeakPolarHBondContact O-CB 3.37Å; S843-A847 PolarHBondContact O-N 3.13Å
844D78.8Confident81.6Confident12 Ų1218.9 Ų18.96%0.06410%0.096CC..Hα-helixtrans-60.7-46.5178.8-76.7-19.6000111H237 S840 A841 A847 H848H237-D844 IonicContact CE1-OD1 2.74Å; H237-D844 PolarHBondContact CE1-OD1 3.27Å; H237-D844 IonicContact ND1-OD1 3.55Å; H237-D844 PolarHBondContact ND1-OD1 2.87Å; S840-D844 WeakPolarHBondContact O-CB 3.47Å; S840-D844 VanDerWaalsContact O-CG 3.31Å; S840-D844 PolarHBondContact O-N 2.91Å; A841-D844 PolarHBondContact O-N 3.46Å; D844-A847 PolarHBondContact O-N 2.87Å; D844-H848 WeakPolarHBondContact O-CB 3.34Å; D844-H848 PolarHBondContact O-CD2 3.46Å; D844-H848 PolarHBondContact O-N 3.44Å
845L86.6Confident81.8Confident0 Ų015.4 Ų15.40%08%0.083CC..Hα-helixtrans-62.4-48.6177.8-72165.4000111.9A841 A847 H848 K850 L852 M896 L899 A900 I903 L916A841-L845 VanDerWaalsContact O-CG 3.31Å; A841-L845 WeakPolarHBondContact O-CG 3.43Å; A841-L845 PolarHBondContact O-N 2.84Å; L845-A847 VanDerWaalsContact C-N 3.3Å; L845-A847 PolarHBondContact O-N 3.3Å; L845-H848 CarbonylContact O-C 3.47Å; L845-H848 PolarHBondContact O-N 3.18Å; L845-K850 VanDerWaalsContact O-CB 3.24Å; L845-K850 WeakPolarHBondContact O-CB 3.46Å; L845-K850 PolarHBondContact O-N 2.61Å; L845-L852 HydrophobicContact CB-CD1 4.08Å; L845-L852 HydrophobicContact CB-CD2 4Å; L845-L852 HydrophobicContact CB-CG 4.4Å; L845-L852 HydrophobicContact CD1-CD1 3.92Å; L845-L852 HydrophobicContact CD1-CD2 3.89Å; L845-L852 HydrophobicContact CG-CD2 4.44Å; L845-M896 HydrophobicContact CD1-CG 3.86Å; L845-L899 HydrophobicContact CD1-CB 4.09Å; L845-L899 HydrophobicContact CD2-CB 4.06Å; L845-A900 HydrophobicContact CD1-CB 4.27Å; L845-A900 HydrophobicContact CG-CB 4.1Å; L845-I903 HydrophobicContact CD2-CB 4.31Å; L845-I903 HydrophobicContact CD2-CD1 4.25Å; L845-I903 HydrophobicContact CD2-CG2 3.88Å; L845-L916 HydrophobicContact CD2-CD1 3.84Å
846L80.5Confident81.8Confident14 Ų1416.7 Ų16.77%0.0739%0.089CC..Hα-helixtrans-61.6-40.9178.6-72.4168.6000111.9C842 S843 H848 Q849 K850 I865 A867 P868C842-L846 WeakPolarHBondContact O-CB 3.47Å; C842-L846 WeakPolarHBondContact O-CD1 3.23Å; C842-L846 WeakPolarHBondContact O-CG 3.35Å; C842-L846 PolarHBondContact O-N 3.47Å; S843-L846 PolarHBondContact O-N 3.02Å; L846-H848 VanDerWaalsContact C-N 3.32Å; L846-H848 PolarHBondContact O-N 3.47Å; L846-Q849 VanDerWaalsContact O-CA 3.25Å; L846-Q849 WeakPolarHBondContact O-CA 3.39Å; L846-Q849 PolarHBondContact O-N 3.18Å; L846-K850 WeakPolarHBondContact CA-O 3.35Å; L846-I865 HydrophobicContact CD1-CG2 4.07Å; L846-I865 HydrophobicContact CD2-CG2 4.46Å; L846-I865 WeakPolarHBondContact CD2-O 3.47Å; L846-A867 WeakPolarHBondContact CD1-O 3.16Å; L846-P868 HydrophobicContact CD1-CB 4.46Å; L846-P868 HydrophobicContact CD1-CG 4.01Å
847A71.3Confident82Confident8 Ų816.7 Ų16.77%0.0669%0.091CC..Hα-helixtrans-75-25.3-176.900000112.2I241 S843 D844 L845 Q849I241-A847 HydrophobicContact CB-CB 4.38Å; I241-A847 HydrophobicContact CD1-CB 3.1Å; I241-A847 HydrophobicContact CG1-CB 3.47Å; I241-A847 VanDerWaalsContact CG1-CB 3.47Å; I241-A847 HydrophobicContact CG2-CB 4.02Å; S843-A847 WeakPolarHBondContact O-CB 3.37Å; S843-A847 PolarHBondContact O-N 3.13Å; D844-A847 PolarHBondContact O-N 2.87Å; L845-A847 VanDerWaalsContact C-N 3.3Å; L845-A847 PolarHBondContact O-N 3.3Å; A847-Q849 PolarHBondContact O-N 3.24Å; A847-Q849 VanDerWaalsContact O-N 3.13Å; A847-Q849 PolarHBondContact O-NE2 3.38Å
848H77.8Confident81.9Confident31 Ų3116.3 Ų16.314%0.1449%0.093CC..THydrogen-bonded Turntrans-73.316.6160.4-78.8-67.5000114.1D844 L845 L846 K850 I903D844-H848 WeakPolarHBondContact O-CB 3.34Å; D844-H848 PolarHBondContact O-CD2 3.46Å; D844-H848 PolarHBondContact O-N 3.44Å; L845-H848 CarbonylContact O-C 3.47Å; L845-H848 PolarHBondContact O-N 3.18Å; L846-H848 VanDerWaalsContact C-N 3.32Å; L846-H848 PolarHBondContact O-N 3.47Å; H848-K850 VanDerWaalsContact C-N 3.31Å; H848-K850 HydrophobicContact CB-CG 4.39Å; H848-K850 WeakPolarHBondContact O-CE 3.46Å; H848-K850 PolarHBondContact O-N 2.83Å; H848-I903 HydrophobicContact CB-CD1 3.51Å; H848-I903 HydrophobicContact CB-CG1 4.18Å
849Q76.8Confident81.2Confident26 Ų2622.4 Ų22.412%0.12112%0.121CC..THydrogen-bonded Turntrans61.436.1177.1-51.3-62.8-54.600113L846 A847 I1102L846-Q849 VanDerWaalsContact O-CA 3.25Å; L846-Q849 WeakPolarHBondContact O-CA 3.39Å; L846-Q849 PolarHBondContact O-N 3.18Å; A847-Q849 PolarHBondContact O-N 3.24Å; A847-Q849 VanDerWaalsContact O-N 3.13Å; A847-Q849 PolarHBondContact O-NE2 3.38Å; Q849-I1102 HydrophobicContact CB-CD1 4.23Å; Q849-I1102 HydrophobicContact CG-CD1 4.11Å
850K85.7Confident80.9Confident22 Ų2225.1 Ų25.110%0.09614%0.141CC..  trans-110.4106.8175.1-47.6-59175.4-174.50109.7L845 L846 H848 I903 F910 M913 L916L845-K850 VanDerWaalsContact O-CB 3.24Å; L845-K850 WeakPolarHBondContact O-CB 3.46Å; L845-K850 PolarHBondContact O-N 2.61Å; L846-K850 WeakPolarHBondContact CA-O 3.35Å; H848-K850 VanDerWaalsContact C-N 3.31Å; H848-K850 HydrophobicContact CB-CG 4.39Å; H848-K850 WeakPolarHBondContact O-CE 3.46Å; H848-K850 PolarHBondContact O-N 2.83Å; K850-I903 HydrophobicContact CD-CD1 4.29Å; K850-I903 HydrophobicContact CG-CD1 3.54Å; K850-F910 PolarHBondContact NZ-O 3.09Å; K850-M913 WeakPolarHBondContact CD-O 3.38Å; K850-M913 WeakPolarHBondContact CE-O 3.47Å; K850-M913 PolarHBondContact NZ-O 3.04Å; K850-L916 HydrophobicContact CB-CD1 4.12Å; K850-L916 HydrophobicContact CB-CG 4.24Å; K850-L916 HydrophobicContact CG-CD1 4.49Å
851H87.6Confident81Confident33 Ų3327.8 Ų27.815%0.15315%0.146CC..EExtended strand (participates in β ladder)trans-64.9147.6167.5-66.7166.6000109.9F914 R915 L916H851-F914 PolarHBondContact N-O 2.98Å; H851-R915 HydrophobicContact CB-CB 4.28Å; H851-R915 HydrophobicContact CB-CG 4.26Å; H851-R915 CarbonylContact O-C 3.4Å; H851-R915 VanDerWaalsContact O-CA 3.25Å; H851-R915 WeakPolarHBondContact O-CA 3.2Å; H851-L916 PolarHBondContact O-N 2.8Å
852L90.9Very high81Confident0 Ų028.1 Ų28.10%015%0.147CC..EExtended strand (participates in β ladder)trans-116.1146.8-179.9-53.3176.3000109.4L845 I865 M896 L916L845-L852 HydrophobicContact CB-CD1 4.08Å; L845-L852 HydrophobicContact CB-CD2 4Å; L845-L852 HydrophobicContact CB-CG 4.4Å; L845-L852 HydrophobicContact CD1-CD1 3.92Å; L845-L852 HydrophobicContact CD1-CD2 3.89Å; L845-L852 HydrophobicContact CG-CD2 4.44Å; L852-I865 HydrophobicContact CB-CB 4.22Å; L852-I865 PolarHBondContact N-O 3.35Å; L852-I865 PolarHBondContact O-N 3.3Å; L852-M896 HydrophobicContact CD1-CG 4.38Å; L852-M896 HydrophobicContact CD1-SD 3.79Å; L852-L916 WeakPolarHBondContact CA-O 3.3Å; L852-L916 HydrophobicContact CD2-CB 3.88Å; L852-L916 HydrophobicContact CD2-CD1 3.93Å; L852-L916 HydrophobicContact CD2-CG 4.22Å
853T90.9Very high81.1Confident0 Ų030.7 Ų30.70%016%0.158CC..EExtended strand (participates in β ladder)trans-127.9142162.169.50000110.2E862 K863 T864 R915 L916 R917 I918T853-E862 VanDerWaalsContact CB-OE1 3.28Å; T853-E862 WeakPolarHBondContact CB-OE1 3.38Å; T853-E862 HydrophobicContact CG2-CG 4.23Å; T853-E862 PolarHBondContact OG1-OE1 2.97Å; T853-K863 CarbonylContact C-O 3.47Å; T853-K863 WeakPolarHBondContact CA-O 3.45Å; T853-K863 WeakPolarHBondContact CB-O 3.32Å; T853-T864 HydrophobicContact CG2-CG2 4.18Å; T853-R915 HydrophobicContact CG2-CG 4.06Å; T853-L916 PolarHBondContact N-O 3.23Å; T853-R917 VanDerWaalsContact OG1-CA 3.26Å; T853-R917 WeakPolarHBondContact OG1-CA 3.26Å; T853-R917 WeakPolarHBondContact OG1-CB 3.33Å; T853-R917 WeakPolarHBondContact OG1-CG 3.26Å; T853-I918 WeakPolarHBondContact O-CB 3.39Å; T853-I918 PolarHBondContact O-N 3.45Å
854V91.8Very high81.5Confident0 Ų032.6 Ų32.60%017%0.17CC..EExtended strand (participates in β ladder)trans-119152.9174.9-64.50000109.3E862 K863 I865 L877 I878 A881 T892 I918V854-E862 CarbonylContact O-C 3.56Å; V854-E862 WeakPolarHBondContact O-CA 3.28Å; V854-K863 HydrophobicContact CG2-CB 4.12Å; V854-K863 PolarHBondContact N-O 3.46Å; V854-K863 PolarHBondContact O-N 2.99Å; V854-I865 HydrophobicContact CG1-CD1 4.34Å; V854-I865 HydrophobicContact CG2-CD1 4.48Å; V854-L877 HydrophobicContact CG2-CD2 3.22Å; V854-I878 HydrophobicContact CG1-CG1 4.28Å; V854-A881 HydrophobicContact CB-CB 4.26Å; V854-A881 HydrophobicContact CG2-CB 3.68Å; V854-T892 HydrophobicContact CB-CG2 4.19Å; V854-T892 HydrophobicContact CG1-CG2 3.72Å; V854-I918 HydrophobicContact CG1-CD1 3.99Å
855G86.1Confident82Confident8 Ų832 Ų328%0.08217%0.167CC..SBendtrans82.9174.4-168.500000113.3A881 G919G855-A881 WeakPolarHBondContact CA-O 3.38Å; G855-G919 WeakPolarHBondContact O-CA 3.46Å
856L82.2Confident81.6Confident36 Ų3636.2 Ų36.219%0.18819%0.192CC..PPolyproline II helixtrans-99.9143.2179.7-71.8170.4000111F719 R861 E862 G919 L920 Q923F719-L856 HydrophobicContact CD2-CD1 4.2Å; F719-L856 HydrophobicContact CE2-CD1 4.27Å; L856-R861 WeakPolarHBondContact O-CB 3.47Å; L856-E862 PolarHBondContact O-N 3.21Å; L856-G919 WeakPolarHBondContact CD2-O 3.4Å; L856-L920 HydrophobicContact CD2-CD2 4.34Å; L856-Q923 HydrophobicContact CD2-CB 4.29Å
857P74.3Confident81.2Confident19 Ų1938 Ų3812%0.12321%0.21CC..SBendtrans-65.1160.6175.923.1-30.9000114R917 L920P857-R917 VanDerWaalsContact CB-NH2 3.27Å; P857-L920 HydrophobicContact CG-CD1 4.23Å; P857-L920 HydrophobicContact CG-CD2 3.73Å; P857-L920 HydrophobicContact CG-CG 4.08Å
858P70.8Confident81.1Confident41 Ų4139.5 Ų39.527%0.26622%0.218SC..SBendcis-85.7173.9-334.1-34.6000113.7Y713 R861Y713-P858 HydrophobicContact CE1-CG 3.93Å; P858-R861 PolarHBondContact O-N 3.05Å
859E68.3Low81Confident133 Ų13339.7 Ų39.762%0.62122%0.22SC*.THydrogen-bonded Turntrans-55.1141.9167.4-65.1-175.6168.400110.4
860P72.1Confident80.8Confident103 Ų10341 Ų4167%0.66923%0.231SC*.THydrogen-bonded Turncis-92.84.314.137-37.3000115.7K863P860-K863 WeakPolarHBondContact O-CE 3.43Å
861R78.2Confident80.2Confident88 Ų8842.5 Ų42.533%0.33224%0.243SC..THydrogen-bonded Turntrans-70-39.3179.5-68.917669.6-147.70.9111.7L856 P858 D883L856-R861 WeakPolarHBondContact O-CB 3.47Å; P858-R861 PolarHBondContact O-N 3.05Å; R861-D883 IonicContact CZ-OD2 3.94Å; R861-D883 IonicContact NE-OD1 3.85Å; R861-D883 IonicContact NE-OD2 3.69Å; R861-D883 PolarHBondContact NE-OD2 2.79Å; R861-D883 IonicContact NH2-OD2 2.87Å; R861-D883 PolarHBondContact NH2-OD2 3.01Å
862E85.8Confident79.7Confident11 Ų1146 Ų465%0.05126%0.263CS..SBendtrans-76.9128.8167.5-174.5175.1-153.800110.1T853 V854 L856 R917T853-E862 VanDerWaalsContact CB-OE1 3.28Å; T853-E862 WeakPolarHBondContact CB-OE1 3.38Å; T853-E862 HydrophobicContact CG2-CG 4.23Å; T853-E862 PolarHBondContact OG1-OE1 2.97Å; V854-E862 CarbonylContact O-C 3.56Å; V854-E862 WeakPolarHBondContact O-CA 3.28Å; L856-E862 PolarHBondContact O-N 3.21Å; E862-R917 IonicContact OE1-CZ 3.92Å; E862-R917 IonicContact OE1-NE 2.82Å; E862-R917 PolarHBondContact OE1-NE 3.3Å; E862-R917 IonicContact OE1-NH2 3.27Å; E862-R917 PolarHBondContact OE1-NH2 3.33Å; E862-R917 IonicContact OE2-CZ 2.83Å; E862-R917 IonicContact OE2-NE 3.76Å; E862-R917 IonicContact OE2-NH2 3.78Å; E862-R917 PolarHBondContact OE2-NH2 3.33Å
863K87.9Confident79.3Confident55 Ų5552 Ų5224%0.23929%0.29CS..EExtended strand (participates in β ladder)trans-113.6130.3178.1-57.5-66-172.7166.90109.8T853 V854 P860 L877 E880 A881T853-K863 CarbonylContact C-O 3.47Å; T853-K863 WeakPolarHBondContact CA-O 3.45Å; T853-K863 WeakPolarHBondContact CB-O 3.32Å; V854-K863 HydrophobicContact CG2-CB 4.12Å; V854-K863 PolarHBondContact N-O 3.46Å; V854-K863 PolarHBondContact O-N 2.99Å; P860-K863 WeakPolarHBondContact O-CE 3.43Å; K863-L877 HydrophobicContact CB-CD2 3.78Å; K863-L877 HydrophobicContact CB-CG 4.33Å; K863-L877 HydrophobicContact CG-CD2 4.36Å; K863-E880 VanDerWaalsContact CE-OE1 3.25Å; K863-E880 WeakPolarHBondContact CE-OE1 3.26Å; K863-E880 IonicContact NZ-OE1 3.87Å; K863-E880 PolarHBondContact NZ-OE1 2.86Å; K863-A881 HydrophobicContact CB-CB 4.37Å; K863-A881 HydrophobicContact CG-CB 3.82Å
864T87.6Confident79.1Confident44 Ų4452 Ų5227%0.2729%0.29SS..EExtended strand (participates in β ladder)trans-94.3133.3179.5-57.10000111.4T853 T866T853-T864 HydrophobicContact CG2-CG2 4.18Å; T864-T866 HydrophobicContact CG2-CG2 3.7Å
865I88.1Confident78.8Confident1 Ų152.2 Ų52.21%0.00529%0.293CS..EExtended strand (participates in β ladder)trans-112.1114.3173.2-55.2167.7000107.6L846 L852 V854 A867 I869 L874 L877L846-I865 HydrophobicContact CD1-CG2 4.07Å; L846-I865 HydrophobicContact CD2-CG2 4.46Å; L846-I865 WeakPolarHBondContact CD2-O 3.47Å; L852-I865 HydrophobicContact CB-CB 4.22Å; L852-I865 PolarHBondContact N-O 3.35Å; L852-I865 PolarHBondContact O-N 3.3Å; V854-I865 HydrophobicContact CG1-CD1 4.34Å; V854-I865 HydrophobicContact CG2-CD1 4.48Å; I865-A867 WeakPolarHBondContact CG2-O 3.5Å; I865-I869 HydrophobicContact CB-CD1 4.45Å; I865-I869 HydrophobicContact CG1-CD1 4.1Å; I865-I869 HydrophobicContact CG2-CD1 3.81Å; I865-I869 HydrophobicContact CG2-CG1 4.12Å; I865-L874 HydrophobicContact CD1-CD1 3.67Å; I865-L877 HydrophobicContact CD1-CD2 4.15Å; I865-L877 HydrophobicContact CG1-CD1 4.33Å; I865-L877 HydrophobicContact CG1-CD2 4.19Å
866T79.9Confident78.8Confident87 Ų8754.5 Ų54.553%0.53431%0.311SS..  trans-115-9.5-179.256.30000113.5T864T864-T866 HydrophobicContact CG2-CG2 3.7Å
867A71.8Confident79.2Confident53 Ų5354.4 Ų54.444%0.43831%0.31SS..SBendtrans-141.9153.4179.800000110L846 I865 I869L846-A867 WeakPolarHBondContact CD1-O 3.16Å; I865-A867 WeakPolarHBondContact CG2-O 3.5Å; A867-I869 WeakPolarHBondContact O-CG1 3.31Å; A867-I869 PolarHBondContact O-N 2.97Å
868P69.1Low80Confident39 Ų3953.5 Ų53.525%0.25331%0.305SS..  trans-58.8127.3178.4-28.739.4000111.6K177 L846K177-P868 HydrophobicContact CB-CB 4.03Å; K177-P868 HydrophobicContact CB-CG 3.72Å; L846-P868 HydrophobicContact CD1-CB 4.46Å; L846-P868 HydrophobicContact CD1-CG 4.01Å
869I76.1Confident80.7Confident34 Ų3454.1 Ų54.117%0.17431%0.306CS..  trans-108139.8-177.2-56.6-177.5000108.9I865 A867 Q873 L874 L877I865-I869 HydrophobicContact CB-CD1 4.45Å; I865-I869 HydrophobicContact CG1-CD1 4.1Å; I865-I869 HydrophobicContact CG2-CD1 3.81Å; I865-I869 HydrophobicContact CG2-CG1 4.12Å; A867-I869 WeakPolarHBondContact O-CG1 3.31Å; A867-I869 PolarHBondContact O-N 2.97Å; I869-Q873 HydrophobicContact CG2-CB 3.41Å; I869-Q873 VanDerWaalsContact CG2-CB 3.41Å; I869-L874 HydrophobicContact CB-CB 4.21Å; I869-L874 HydrophobicContact CG2-CB 4.09Å; I869-L877 HydrophobicContact CD1-CD1 3.77Å
870P71.9Confident81.6Confident55 Ų5553.4 Ų53.436%0.35730%0.302SS..  trans-54.5147.5172.1-26.135000112.6D872 Q873 L874P870-D872 VanDerWaalsContact C-N 3.29Å; P870-D872 PolarHBondContact O-N 2.88Å; P870-D872 VanDerWaalsContact O-N 3.12Å; P870-Q873 PolarHBondContact O-N 3.29Å; P870-Q873 VanDerWaalsContact O-N 3.09Å; P870-L874 WeakPolarHBondContact O-CB 3.41Å; P870-L874 PolarHBondContact O-N 3.25Å
871P72.1Confident82.3Confident53 Ų5348.8 Ų48.834%0.34427%0.272SS..Hα-helixtrans-51.7-42.2-173.3-23.326.3000114.6D839 L874 A875D839-P871 HydrophobicContact CB-CB 4.26Å; D839-P871 HydrophobicContact CB-CG 3.78Å; P871-L874 PolarHBondContact O-N 3.47Å; P871-A875 WeakPolarHBondContact O-CB 3.45Å; P871-A875 PolarHBondContact O-N 2.94Å
872D76.9Confident82.6Confident106 Ų10645 Ų4557%0.56726%0.26SS*.Hα-helixtrans-70.6-39.9-177.6-61.7-37000112.6K834 P870 A876K834-D872 IonicContact NZ-OD1 2.66Å; K834-D872 PolarHBondContact NZ-OD1 3.12Å; P870-D872 VanDerWaalsContact C-N 3.29Å; P870-D872 PolarHBondContact O-N 2.88Å; P870-D872 VanDerWaalsContact O-N 3.12Å; D872-A876 WeakPolarHBondContact O-CB 3.48Å; D872-A876 PolarHBondContact O-N 3.43Å; D872-A876 VanDerWaalsContact O-N 3.1Å
873Q83.6Confident82.4Confident125 Ų12548.9 Ų48.958%0.58428%0.281SS*.Hα-helixtrans-69.9-37.7176.2-68.3178.821.100110.9I869 P870 A876 L877I869-Q873 HydrophobicContact CG2-CB 3.41Å; I869-Q873 VanDerWaalsContact CG2-CB 3.41Å; P870-Q873 PolarHBondContact O-N 3.29Å; P870-Q873 VanDerWaalsContact O-N 3.09Å; Q873-A876 PolarHBondContact O-N 3.12Å; Q873-L877 WeakPolarHBondContact O-CB 3.49Å; Q873-L877 PolarHBondContact O-N 2.87Å
874L87.4Confident81.5Confident0 Ų052.8 Ų52.80%030%0.304CS..Hα-helixtrans-64.7-44.8177-179.758.1000111.5L838 C842 I865 I869 P870 P871 L877 I878 M896L838-L874 HydrophobicContact CD2-CD2 4.19Å; L838-L874 HydrophobicContact CD2-CG 4.28Å; L838-L874 HydrophobicContact CG-CD2 3.95Å; C842-L874 HydrophobicContact CB-CD2 3.71Å; I865-L874 HydrophobicContact CD1-CD1 3.67Å; I869-L874 HydrophobicContact CB-CB 4.21Å; I869-L874 HydrophobicContact CG2-CB 4.09Å; P870-L874 WeakPolarHBondContact O-CB 3.41Å; P870-L874 PolarHBondContact O-N 3.25Å; P871-L874 PolarHBondContact O-N 3.47Å; L874-L877 PolarHBondContact O-N 3.01Å; L874-I878 HydrophobicContact CD1-CD1 4.3Å; L874-I878 HydrophobicContact CG-CD1 4.22Å; L874-I878 WeakPolarHBondContact O-CG1 3.48Å; L874-I878 PolarHBondContact O-N 3.45Å; L874-M896 HydrophobicContact CD1-CE 4.46Å; L874-M896 HydrophobicContact CD2-CE 3.95Å; L874-M896 HydrophobicContact CG-CE 4.42Å
875A85.7Confident81.2Confident6 Ų652.5 Ų52.55%0.0530%0.301CS..Hα-helixtrans-61.9-46.2175.700000111.7K834 P871 L877 I878 D879K834-A875 HydrophobicContact CD-CB 4.24Å; K834-A875 HydrophobicContact CG-CB 4.3Å; P871-A875 WeakPolarHBondContact O-CB 3.45Å; P871-A875 PolarHBondContact O-N 2.94Å; A875-L877 VanDerWaalsContact C-N 3.31Å; A875-L877 PolarHBondContact O-N 3.02Å; A875-I878 PolarHBondContact O-N 2.95Å; A875-D879 PolarHBondContact O-N 3.32Å
876A86.1Confident81Confident56 Ų5653.9 Ų53.946%0.46331%0.308SS..Hα-helixtrans-60.9-39.1177.300000112.7D872 Q873 D879 E880D872-A876 WeakPolarHBondContact O-CB 3.48Å; D872-A876 PolarHBondContact O-N 3.43Å; D872-A876 VanDerWaalsContact O-N 3.1Å; Q873-A876 PolarHBondContact O-N 3.12Å; A876-D879 PolarHBondContact O-N 3.27Å; A876-E880 WeakPolarHBondContact O-CB 3.49Å; A876-E880 PolarHBondContact O-N 2.98Å
877L89.8Confident81.3Confident34 Ų3450.6 Ų50.618%0.17829%0.289CS..Hα-helixtrans-65.1-40.9176.1-173.1159.8000111.5V854 K863 I865 I869 Q873 L874 A875 A881V854-L877 HydrophobicContact CG2-CD2 3.22Å; K863-L877 HydrophobicContact CB-CD2 3.78Å; K863-L877 HydrophobicContact CB-CG 4.33Å; K863-L877 HydrophobicContact CG-CD2 4.36Å; I865-L877 HydrophobicContact CD1-CD2 4.15Å; I865-L877 HydrophobicContact CG1-CD1 4.33Å; I865-L877 HydrophobicContact CG1-CD2 4.19Å; I869-L877 HydrophobicContact CD1-CD1 3.77Å; Q873-L877 WeakPolarHBondContact O-CB 3.49Å; Q873-L877 PolarHBondContact O-N 2.87Å; L874-L877 PolarHBondContact O-N 3.01Å; A875-L877 VanDerWaalsContact C-N 3.31Å; A875-L877 PolarHBondContact O-N 3.02Å; L877-A881 VanDerWaalsContact O-CB 3.3Å; L877-A881 WeakPolarHBondContact O-CB 3.43Å; L877-A881 PolarHBondContact O-N 3.37Å
878I90.7Very high82.1Confident0 Ų049.1 Ų49.10%027%0.274CS..Hα-helixtrans-64.4-43.2175.4-69.3166.5000111L838 V854 L874 A875 A881 S882 A889 T892 Q893 M896L838-I878 HydrophobicContact CD2-CD1 4.05Å; V854-I878 HydrophobicContact CG1-CG1 4.28Å; L874-I878 HydrophobicContact CD1-CD1 4.3Å; L874-I878 HydrophobicContact CG-CD1 4.22Å; L874-I878 WeakPolarHBondContact O-CG1 3.48Å; L874-I878 PolarHBondContact O-N 3.45Å; A875-I878 PolarHBondContact O-N 2.95Å; I878-A881 PolarHBondContact O-N 3.46Å; I878-S882 VanDerWaalsContact O-CB 3.3Å; I878-S882 WeakPolarHBondContact O-CB 3.49Å; I878-S882 PolarHBondContact O-N 3.01Å; I878-S882 PolarHBondContact O-OG 2.96Å; I878-A889 HydrophobicContact CG2-CB 4.07Å; I878-T892 HydrophobicContact CG1-CG2 4.42Å; I878-T892 HydrophobicContact CG2-CG2 3.97Å; I878-Q893 HydrophobicContact CD1-CG 3.99Å; I878-M896 HydrophobicContact CD1-CE 4.15Å
879D86.9Confident83Confident54 Ų5447.4 Ų47.429%0.28926%0.263SS..Hα-helixtrans-62.1-45.4178.1-71.4-18.6000111.3A875 A876 S882 N884 A889A875-D879 PolarHBondContact O-N 3.32Å; A876-D879 PolarHBondContact O-N 3.27Å; D879-S882 PolarHBondContact O-N 3.28Å; D879-N884 PolarHBondContact O-N 3.08Å; D879-A889 WeakPolarHBondContact OD1-CB 3.41Å
880E86.7Confident83.8Confident118 Ų11845.9 Ų45.955%0.55126%0.255SS*.Hα-helixtrans-61.2-47.6176.2-171.1-167.3156.700111.5K863 A876 S882 D883K863-E880 VanDerWaalsContact CE-OE1 3.25Å; K863-E880 WeakPolarHBondContact CE-OE1 3.26Å; K863-E880 IonicContact NZ-OE1 3.87Å; K863-E880 PolarHBondContact NZ-OE1 2.86Å; A876-E880 WeakPolarHBondContact O-CB 3.49Å; A876-E880 PolarHBondContact O-N 2.98Å; E880-S882 PolarHBondContact O-N 3.37Å; E880-D883 PolarHBondContact O-N 2.65Å
881A87.2Confident84.7Confident5 Ų543.3 Ų43.34%0.04124%0.238CC..Hα-helixtrans-68.6-18.1-179.200000113.6V854 G855 K863 L877 I878 D883V854-A881 HydrophobicContact CB-CB 4.26Å; V854-A881 HydrophobicContact CG2-CB 3.68Å; G855-A881 WeakPolarHBondContact CA-O 3.38Å; K863-A881 HydrophobicContact CB-CB 4.37Å; K863-A881 HydrophobicContact CG-CB 3.82Å; L877-A881 VanDerWaalsContact O-CB 3.3Å; L877-A881 WeakPolarHBondContact O-CB 3.43Å; L877-A881 PolarHBondContact O-N 3.37Å; I878-A881 PolarHBondContact O-N 3.46Å; A881-D883 VanDerWaalsContact C-N 3.3Å
882S84.4Confident85.7Confident9 Ų940.9 Ų40.96%0.06322%0.223CC..THydrogen-bonded Turntrans-89.811.5178.9-57.30000113I878 D879 E880 N884 N885I878-S882 VanDerWaalsContact O-CB 3.3Å; I878-S882 WeakPolarHBondContact O-CB 3.49Å; I878-S882 PolarHBondContact O-N 3.01Å; I878-S882 PolarHBondContact O-OG 2.96Å; D879-S882 PolarHBondContact O-N 3.28Å; E880-S882 PolarHBondContact O-N 3.37Å; S882-N884 PolarHBondContact O-N 3.26Å; S882-N885 VanDerWaalsContact O-CB 3.22Å; S882-N885 WeakPolarHBondContact O-CB 3.47Å; S882-N885 PolarHBondContact O-N 3.2Å
883D79.9Confident86.5Confident93 Ų9336 Ų3650%0.49720%0.197SC..THydrogen-bonded Turntrans52.435.1-176.4-66.2-38.4000112.3R861 E880 A881 N885R861-D883 IonicContact CZ-OD2 3.94Å; R861-D883 IonicContact NE-OD1 3.85Å; R861-D883 IonicContact NE-OD2 3.69Å; R861-D883 PolarHBondContact NE-OD2 2.79Å; R861-D883 IonicContact NH2-OD2 2.87Å; R861-D883 PolarHBondContact NH2-OD2 3.01Å; E880-D883 PolarHBondContact O-N 2.65Å; A881-D883 VanDerWaalsContact C-N 3.3Å; D883-N885 PolarHBondContact O-N 3.48Å
884N69.6Low86.9Confident137 Ų13730.1 Ų30.173%0.73317%0.169SC*.THydrogen-bonded Turntrans59.918.5-172-57.8-58.9000115.6D879 S882 I886D879-N884 PolarHBondContact O-N 3.08Å; S882-N884 PolarHBondContact O-N 3.26Å; N884-I886 PolarHBondContact O-N 3.31Å; N884-I886 VanDerWaalsContact O-N 3.08Å
885N82.1Confident87.2Confident38 Ų3830.1 Ų30.120%0.20317%0.169CC..  trans-75.497169.3-171-37.7000109.9S882 D883 S887 V888 A889S882-N885 VanDerWaalsContact O-CB 3.22Å; S882-N885 WeakPolarHBondContact O-CB 3.47Å; S882-N885 PolarHBondContact O-N 3.2Å; D883-N885 PolarHBondContact O-N 3.48Å; N885-S887 PolarHBondContact O-N 3.25Å; N885-S887 VanDerWaalsContact O-N 3.15Å; N885-S887 PolarHBondContact OD1-N 3.48Å; N885-V888 HydrophobicContact CB-CB 4.08Å; N885-V888 HydrophobicContact CB-CG2 4.17Å; N885-V888 PolarHBondContact O-N 3.06Å; N885-V888 PolarHBondContact OD1-N 2.94Å; N885-A889 PolarHBondContact O-N 3.37Å
886I84.4Confident87.6Confident30 Ų3029.8 Ų29.815%0.15417%0.167CC..Hα-helixtrans-50.7-37.4-17851.3165000113.7Y783 M826 M830 N884 I890Y783-I886 HydrophobicContact CD2-CD1 3.96Å; Y783-I886 HydrophobicContact CE2-CD1 3.75Å; M826-I886 HydrophobicContact CG-CD1 3.79Å; M830-I886 HydrophobicContact CG-CD1 3.47Å; M830-I886 VanDerWaalsContact CG-CD1 3.47Å; M830-I886 HydrophobicContact SD-CD1 4.27Å; N884-I886 PolarHBondContact O-N 3.31Å; N884-I886 VanDerWaalsContact O-N 3.08Å; I886-I890 WeakPolarHBondContact O-CG1 3.37Å; I886-I890 PolarHBondContact O-N 3.33Å
887S85.7Confident87.8Confident18 Ų1827.3 Ų27.313%0.12615%0.146CC..Hα-helixtrans-81.8-36.5-175.2-47.30000111.3N885 A889 I890 L891N885-S887 PolarHBondContact O-N 3.25Å; N885-S887 VanDerWaalsContact O-N 3.15Å; N885-S887 PolarHBondContact OD1-N 3.48Å; S887-A889 VanDerWaalsContact C-N 3.33Å; S887-I890 PolarHBondContact O-N 2.83Å; S887-L891 PolarHBondContact O-N 2.9Å
888V87.2Confident87.9Confident22 Ų2225.7 Ų25.713%0.13314%0.137CC..Hα-helixtrans-67.9-34.7174.2174.10000111.3F719 N885 L891 T892F719-V888 HydrophobicContact CD1-CG2 3.97Å; N885-V888 HydrophobicContact CB-CB 4.08Å; N885-V888 HydrophobicContact CB-CG2 4.17Å; N885-V888 PolarHBondContact O-N 3.06Å; N885-V888 PolarHBondContact OD1-N 2.94Å; V888-L891 PolarHBondContact O-N 3.02Å; V888-T892 WeakPolarHBondContact O-CB 3.42Å; V888-T892 PolarHBondContact O-N 3.48Å; V888-T892 PolarHBondContact O-OG1 3.48Å
889A89.6Confident88Confident2 Ų225.7 Ų25.72%0.01714%0.137CC..Hα-helixtrans-59.7-46.6174.100000111.3I878 D879 N885 S887 T892 Q893I878-A889 HydrophobicContact CG2-CB 4.07Å; D879-A889 WeakPolarHBondContact OD1-CB 3.41Å; N885-A889 PolarHBondContact O-N 3.37Å; S887-A889 VanDerWaalsContact C-N 3.33Å; A889-T892 WeakPolarHBondContact O-CB 3.32Å; A889-T892 PolarHBondContact O-N 3.23Å; A889-Q893 WeakPolarHBondContact O-CG 3.31Å; A889-Q893 PolarHBondContact O-N 2.77Å; A889-Q893 VanDerWaalsContact O-N 3.11Å
890I91.3Very high88Confident2 Ų223.3 Ų23.31%0.0113%0.125CC..Hα-helixtrans-64.7-43.2175.7-64.9-63000111.8F530 Y531 R825 K833 I886 S887 T892 Q893 E894F530-I890 HydrophobicContact CZ-CG2 4.14Å; Y531-I890 HydrophobicContact CE1-CG2 4.13Å; Y531-I890 WeakPolarHBondContact OH-CG2 3.46Å; R825-I890 HydrophobicContact CB-CG2 4.38Å; R825-I890 HydrophobicContact CG-CG2 4.13Å; K833-I890 WeakPolarHBondContact O-CD1 3.49Å; I886-I890 WeakPolarHBondContact O-CG1 3.37Å; I886-I890 PolarHBondContact O-N 3.33Å; S887-I890 PolarHBondContact O-N 2.83Å; I890-T892 VanDerWaalsContact C-N 3.29Å; I890-T892 PolarHBondContact O-N 3.39Å; I890-Q893 WeakPolarHBondContact O-CB 3.38Å; I890-Q893 PolarHBondContact O-N 2.88Å; I890-Q893 VanDerWaalsContact O-N 3.16Å; I890-E894 PolarHBondContact O-N 3.26Å
891L92Very high87.9Confident1 Ų118 Ų181%0.00510%0.1CC..Hα-helixtrans-60.4-40.5176.1-176.764.2000111.7S887 V888 Q893 E894 I895 I922 L944 M945 L952S887-L891 PolarHBondContact O-N 2.9Å; V888-L891 PolarHBondContact O-N 3.02Å; L891-Q893 VanDerWaalsContact C-N 3.31Å; L891-Q893 PolarHBondContact O-N 3.17Å; L891-E894 PolarHBondContact O-N 3.27Å; L891-I895 HydrophobicContact CD1-CG1 4.38Å; L891-I895 HydrophobicContact CG-CG1 4.41Å; L891-I895 WeakPolarHBondContact O-CG1 3.43Å; L891-I895 PolarHBondContact O-N 2.87Å; L891-I922 HydrophobicContact CD2-CD1 4.25Å; L891-I922 HydrophobicContact CD2-CG1 4.32Å; L891-I922 HydrophobicContact CD2-CG2 3.74Å; L891-I922 HydrophobicContact CG-CD1 4.18Å; L891-I922 HydrophobicContact CG-CG1 4.48Å; L891-L944 HydrophobicContact CD2-CD2 4.19Å; L891-M945 HydrophobicContact CD2-SD 3.8Å; L891-L952 HydrophobicContact CD1-CD1 4.12Å; L891-L952 HydrophobicContact CD1-CD2 3.27Å; L891-L952 HydrophobicContact CD1-CG 4.32Å
892T92.9Very high87.9Confident3 Ų318.1 Ų18.12%0.01810%0.101CC..Hα-helixtrans-61-41.5176.1-60.40000111.2V854 I878 V888 A889 I890 M896 I918V854-T892 HydrophobicContact CB-CG2 4.19Å; V854-T892 HydrophobicContact CG1-CG2 3.72Å; I878-T892 HydrophobicContact CG1-CG2 4.42Å; I878-T892 HydrophobicContact CG2-CG2 3.97Å; V888-T892 WeakPolarHBondContact O-CB 3.42Å; V888-T892 PolarHBondContact O-N 3.48Å; V888-T892 PolarHBondContact O-OG1 3.48Å; A889-T892 WeakPolarHBondContact O-CB 3.32Å; A889-T892 PolarHBondContact O-N 3.23Å; I890-T892 VanDerWaalsContact C-N 3.29Å; I890-T892 PolarHBondContact O-N 3.39Å; T892-M896 WeakPolarHBondContact O-CB 3.42Å; T892-M896 PolarHBondContact O-N 3.49Å; T892-I918 HydrophobicContact CG2-CG2 3.92Å
893Q93.1Very high87.8Confident4 Ų417.8 Ų17.82%0.01910%0.098CC..Hα-helixtrans-61.9-45.6174.4-66.4-177.248.100112V835 L838 I878 A889 I890 L891 M896 V897V835-Q893 HydrophobicContact CG2-CB 3.65Å; L838-Q893 HydrophobicContact CD1-CB 3.63Å; L838-Q893 HydrophobicContact CD1-CG 3.75Å; L838-Q893 HydrophobicContact CD2-CG 3.84Å; L838-Q893 HydrophobicContact CG-CG 4.47Å; I878-Q893 HydrophobicContact CD1-CG 3.99Å; A889-Q893 WeakPolarHBondContact O-CG 3.31Å; A889-Q893 PolarHBondContact O-N 2.77Å; A889-Q893 VanDerWaalsContact O-N 3.11Å; I890-Q893 WeakPolarHBondContact O-CB 3.38Å; I890-Q893 PolarHBondContact O-N 2.88Å; I890-Q893 VanDerWaalsContact O-N 3.16Å; L891-Q893 VanDerWaalsContact C-N 3.31Å; L891-Q893 PolarHBondContact O-N 3.17Å; Q893-M896 PolarHBondContact O-N 2.83Å; Q893-V897 PolarHBondContact O-N 3.39Å
894E92.7Very high87.6Confident0 Ų016.2 Ų16.20%09%0.085CC..Hα-helixtrans-59.3-51.4176.5-76.5-173.5-122.500112.3Y531 L532 R825 I890 L891 M896 V897 Y898 L952Y531-E894 PolarHBondContact OH-OE1 3.13Å; L532-E894 HydrophobicContact CD2-CG 4.38Å; R825-E894 IonicContact CZ-OE1 2.74Å; R825-E894 IonicContact CZ-OE2 3.84Å; R825-E894 IonicContact NE-OE1 3.58Å; R825-E894 PolarHBondContact NE-OE1 2.89Å; R825-E894 IonicContact NE-OE2 3.87Å; R825-E894 IonicContact NH2-OE1 3.52Å; R825-E894 PolarHBondContact NH2-OE1 3.5Å; R825-E894 IonicContact NH2-OE2 2.78Å; R825-E894 PolarHBondContact NH2-OE2 2.8Å; I890-E894 PolarHBondContact O-N 3.26Å; L891-E894 PolarHBondContact O-N 3.27Å; E894-M896 VanDerWaalsContact C-N 3.27Å; E894-M896 PolarHBondContact O-N 3.32Å; E894-V897 PolarHBondContact O-N 2.91Å; E894-V897 VanDerWaalsContact O-N 3.13Å; E894-Y898 HydrophobicContact CB-CE2 3.88Å; E894-Y898 WeakPolarHBondContact O-CD1 3.34Å; E894-Y898 WeakPolarHBondContact O-CD2 3.36Å; E894-Y898 VanDerWaalsContact O-CG 3.23Å; E894-Y898 PolarHBondContact O-N 3.4Å; E894-Y898 PolarHBondContact OE2-OH 2.97Å; E894-L952 HydrophobicContact CB-CD2 4.44Å; E894-L952 WeakPolarHBondContact OE2-CD2 3.39Å
895I93.8Very high87.9Confident0 Ų013 Ų130%07%0.071CC..Hα-helixtrans-61.1-39-178.3-64-58.5000110.8L891 V897 Y898 L899 I918 I921 I922 M925 L952 L956L891-I895 HydrophobicContact CD1-CG1 4.38Å; L891-I895 HydrophobicContact CG-CG1 4.41Å; L891-I895 WeakPolarHBondContact O-CG1 3.43Å; L891-I895 PolarHBondContact O-N 2.87Å; I895-V897 PolarHBondContact O-N 2.84Å; I895-Y898 HydrophobicContact CD1-CD2 4.16Å; I895-Y898 PolarHBondContact O-N 2.86Å; I895-L899 HydrophobicContact CG2-CD1 3.96Å; I895-L899 HydrophobicContact CG2-CG 4.24Å; I895-L899 WeakPolarHBondContact O-CB 3.46Å; I895-L899 VanDerWaalsContact O-CG 3.23Å; I895-L899 WeakPolarHBondContact O-CG 3.49Å; I895-L899 PolarHBondContact O-N 3.41Å; I895-I918 HydrophobicContact CB-CG2 4.17Å; I895-I918 HydrophobicContact CG2-CG2 3.9Å; I895-I921 HydrophobicContact CG2-CG2 4.29Å; I895-I922 HydrophobicContact CG1-CD1 4.39Å; I895-I922 HydrophobicContact CG1-CG1 4.04Å; I895-M925 HydrophobicContact CD1-CE 3.87Å; I895-M925 HydrophobicContact CD1-SD 3.74Å; I895-L952 HydrophobicContact CD1-CD1 4.24Å; I895-L952 HydrophobicContact CD1-CD2 3.97Å; I895-L952 HydrophobicContact CD1-CG 3.91Å; I895-L956 HydrophobicContact CD1-CD2 4.45Å; I895-L956 HydrophobicContact CG2-CD1 4.48Å; I895-L956 HydrophobicContact CG2-CD2 4.25Å
896M93.6Very high87.8Confident0 Ų015.3 Ų15.30%08%0.08CC..Hα-helixtrans-61.8-42.7176.3-169163.261.200112.1L838 C842 L845 L852 L874 I878 T892 Q893 E894 L899 A900 I918L838-M896 HydrophobicContact CD1-CE 3.13Å; L838-M896 HydrophobicContact CD2-CE 4.4Å; L838-M896 HydrophobicContact CG-CE 3.54Å; C842-M896 HydrophobicContact CB-CE 4.18Å; C842-M896 HydrophobicContact CB-SD 4.03Å; L845-M896 HydrophobicContact CD1-CG 3.86Å; L852-M896 HydrophobicContact CD1-CG 4.38Å; L852-M896 HydrophobicContact CD1-SD 3.79Å; L874-M896 HydrophobicContact CD1-CE 4.46Å; L874-M896 HydrophobicContact CD2-CE 3.95Å; L874-M896 HydrophobicContact CG-CE 4.42Å; I878-M896 HydrophobicContact CD1-CE 4.15Å; T892-M896 WeakPolarHBondContact O-CB 3.42Å; T892-M896 PolarHBondContact O-N 3.49Å; Q893-M896 PolarHBondContact O-N 2.83Å; E894-M896 VanDerWaalsContact C-N 3.27Å; E894-M896 PolarHBondContact O-N 3.32Å; M896-L899 PolarHBondContact O-N 3.46Å; M896-A900 PolarHBondContact O-N 3.36Å; M896-I918 HydrophobicContact CB-CD1 4.05Å; M896-I918 HydrophobicContact CG-CD1 4.13Å; M896-I918 HydrophobicContact SD-CD1 4.17Å
897V90.2Very high87.6Confident4 Ų417.2 Ų17.22%0.02410%0.095CC..Hα-helixtrans-65.2-41.7175.1173.10000111.3V835 A841 Q893 E894 I895 L899 A900 M901V835-V897 HydrophobicContact CB-CG2 4.33Å; V835-V897 HydrophobicContact CG1-CG2 3.73Å; A841-V897 HydrophobicContact CB-CB 4.49Å; A841-V897 HydrophobicContact CB-CG2 3.92Å; Q893-V897 PolarHBondContact O-N 3.39Å; E894-V897 PolarHBondContact O-N 2.91Å; E894-V897 VanDerWaalsContact O-N 3.13Å; I895-V897 PolarHBondContact O-N 2.84Å; V897-L899 PolarHBondContact O-N 2.98Å; V897-A900 WeakPolarHBondContact O-CB 3.28Å; V897-A900 PolarHBondContact O-N 3.01Å; V897-M901 HydrophobicContact CG1-CG 4.38Å; V897-M901 HydrophobicContact CG1-SD 4.18Å; V897-M901 VanDerWaalsContact O-CG 3.29Å; V897-M901 WeakPolarHBondContact O-CG 3.37Å; V897-M901 PolarHBondContact O-N 3.49Å
898Y91.6Very high87.3Confident0 Ų021.1 Ų21.10%012%0.122CC..Hα-helixtrans-65.6-38.8178-57.3-21.5000112.6L532 M538 E894 I895 A900 M901 S902 P949 L952 K953L532-Y898 HydrophobicContact CD2-CE1 4.24Å; L532-Y898 WeakPolarHBondContact CD2-OH 3.45Å; M538-Y898 HydrophobicContact CE-CD1 4.15Å; M538-Y898 HydrophobicContact CE-CE1 3.31Å; E894-Y898 HydrophobicContact CB-CE2 3.88Å; E894-Y898 WeakPolarHBondContact O-CD1 3.34Å; E894-Y898 WeakPolarHBondContact O-CD2 3.36Å; E894-Y898 VanDerWaalsContact O-CG 3.23Å; E894-Y898 PolarHBondContact O-N 3.4Å; E894-Y898 PolarHBondContact OE2-OH 2.97Å; I895-Y898 HydrophobicContact CD1-CD2 4.16Å; I895-Y898 PolarHBondContact O-N 2.86Å; Y898-A900 VanDerWaalsContact C-N 3.33Å; Y898-M901 HydrophobicContact CD1-SD 4.02Å; Y898-M901 PolarHBondContact O-N 3.34Å; Y898-S902 WeakPolarHBondContact O-CB 3.28Å; Y898-S902 PolarHBondContact O-N 3.29Å; Y898-S902 PolarHBondContact O-OG 3.44Å; Y898-P949 WeakPolarHBondContact OH-CA 3.44Å; Y898-P949 WeakPolarHBondContact OH-CB 3.3Å; Y898-L952 HydrophobicContact CE2-CB 4.22Å; Y898-L952 HydrophobicContact CE2-CD2 3.8Å; Y898-L952 HydrophobicContact CE2-CG 4.05Å; Y898-K953 HydrophobicContact CD1-CB 4.38Å; Y898-K953 HydrophobicContact CD1-CG 4.43Å; Y898-K953 HydrophobicContact CD2-CB 4.01Å; Y898-K953 HydrophobicContact CE2-CB 4.26Å; Y898-K953 HydrophobicContact CG-CB 4.1Å; Y898-K953 HydrophobicContact CG-CG 4.19Å
899L92.3Very high87.1Confident0 Ų021.4 Ų21.40%012%0.122CC..Hα-helixtrans-60-44.5172-70.8168.4000110.8L845 I895 M896 V897 S902 I903 F910 L916 I918 I921 L956 L960L845-L899 HydrophobicContact CD1-CB 4.09Å; L845-L899 HydrophobicContact CD2-CB 4.06Å; I895-L899 HydrophobicContact CG2-CD1 3.96Å; I895-L899 HydrophobicContact CG2-CG 4.24Å; I895-L899 WeakPolarHBondContact O-CB 3.46Å; I895-L899 VanDerWaalsContact O-CG 3.23Å; I895-L899 WeakPolarHBondContact O-CG 3.49Å; I895-L899 PolarHBondContact O-N 3.41Å; M896-L899 PolarHBondContact O-N 3.46Å; V897-L899 PolarHBondContact O-N 2.98Å; L899-S902 PolarHBondContact O-N 3.08Å; L899-I903 PolarHBondContact O-N 2.88Å; L899-F910 HydrophobicContact CD2-CE1 3.83Å; L899-F910 HydrophobicContact CD2-CZ 4.13Å; L899-L916 HydrophobicContact CD1-CD1 4.37Å; L899-I918 HydrophobicContact CD1-CG1 4.07Å; L899-I921 HydrophobicContact CD1-CD1 4.2Å; L899-I921 HydrophobicContact CD2-CD1 4.41Å; L899-L956 HydrophobicContact CD2-CD1 4.24Å; L899-L956 HydrophobicContact CD2-CD2 4.09Å; L899-L956 HydrophobicContact CG-CD2 4.1Å; L899-L960 HydrophobicContact CD2-CD1 3.88Å; L899-L960 HydrophobicContact CD2-CD2 4.3Å
900A87.9Confident87Confident3 Ų321.3 Ų21.33%0.02512%0.122CC..Hα-helixtrans-63.6-41176.200000112.3A841 L845 M896 V897 Y898 S902 I903 R904A841-A900 HydrophobicContact CB-CB 3.49Å; A841-A900 VanDerWaalsContact CB-CB 3.49Å; L845-A900 HydrophobicContact CD1-CB 4.27Å; L845-A900 HydrophobicContact CG-CB 4.1Å; M896-A900 PolarHBondContact O-N 3.36Å; V897-A900 WeakPolarHBondContact O-CB 3.28Å; V897-A900 PolarHBondContact O-N 3.01Å; Y898-A900 VanDerWaalsContact C-N 3.33Å; A900-S902 VanDerWaalsContact C-N 3.33Å; A900-S902 PolarHBondContact O-N 2.85Å; A900-I903 WeakPolarHBondContact O-CG2 3.32Å; A900-I903 PolarHBondContact O-N 3.24Å; A900-R904 WeakPolarHBondContact O-CG 3.21Å; A900-R904 PolarHBondContact O-N 3Å
901M84.8Confident86.4Confident7 Ų724.3 Ų24.33%0.03414%0.143CC..Hα-helixtrans-61.2-42.2173-67.3171.280.700111.7M542 V897 Y898 T905M542-M901 HydrophobicContact CG-CE 3.93Å; V897-M901 HydrophobicContact CG1-CG 4.38Å; V897-M901 HydrophobicContact CG1-SD 4.18Å; V897-M901 VanDerWaalsContact O-CG 3.29Å; V897-M901 WeakPolarHBondContact O-CG 3.37Å; V897-M901 PolarHBondContact O-N 3.49Å; Y898-M901 HydrophobicContact CD1-SD 4.02Å; Y898-M901 PolarHBondContact O-N 3.34Å; M901-T905 WeakPolarHBondContact O-CG2 3.47Å; M901-T905 PolarHBondContact O-N 2.93Å; M901-T905 PolarHBondContact O-OG1 3.06Å
902S86Confident85.8Confident7 Ų726.3 Ų26.35%0.04915%0.152CC..Hα-helixtrans-69-39.9179-70.40000112.8Y898 L899 A900 T905 Q906Y898-S902 WeakPolarHBondContact O-CB 3.28Å; Y898-S902 PolarHBondContact O-N 3.29Å; Y898-S902 PolarHBondContact O-OG 3.44Å; L899-S902 PolarHBondContact O-N 3.08Å; A900-S902 VanDerWaalsContact C-N 3.33Å; A900-S902 PolarHBondContact O-N 2.85Å; S902-T905 PolarHBondContact O-N 2.64Å; S902-T905 PolarHBondContact O-OG1 2.88Å; S902-Q906 CarbonylContact O-C 3.59Å; S902-Q906 WeakPolarHBondContact O-CA 3.47Å; S902-Q906 PolarHBondContact O-N 2.89Å
903I83.4Confident85.5Confident2 Ų226.1 Ų26.11%0.0115%0.151CC..Hα-helixtrans-69.8-34.1-179.8-158.2162.7000111.9L845 H848 K850 L899 A900 P907 F910L845-I903 HydrophobicContact CD2-CB 4.31Å; L845-I903 HydrophobicContact CD2-CD1 4.25Å; L845-I903 HydrophobicContact CD2-CG2 3.88Å; H848-I903 HydrophobicContact CB-CD1 3.51Å; H848-I903 HydrophobicContact CB-CG1 4.18Å; K850-I903 HydrophobicContact CD-CD1 4.29Å; K850-I903 HydrophobicContact CG-CD1 3.54Å; L899-I903 PolarHBondContact O-N 2.88Å; A900-I903 WeakPolarHBondContact O-CG2 3.32Å; A900-I903 PolarHBondContact O-N 3.24Å; I903-P907 WeakPolarHBondContact O-CA 3.26Å; I903-P907 WeakPolarHBondContact O-CD 3.32Å; I903-P907 WeakPolarHBondContact O-CG 3.43Å; I903-F910 HydrophobicContact CB-CD2 3.93Å; I903-F910 HydrophobicContact CB-CE2 3.76Å; I903-F910 HydrophobicContact CB-CZ 4.24Å; I903-F910 HydrophobicContact CD1-CB 4.29Å; I903-F910 HydrophobicContact CD1-CD2 4.2Å; I903-F910 HydrophobicContact CD1-CG 4.08Å; I903-F910 HydrophobicContact CG1-CD2 3.79Å; I903-F910 HydrophobicContact CG1-CE2 4.17Å; I903-F910 HydrophobicContact CG1-CG 4.18Å
904R76.3Confident85Confident61 Ų6127.3 Ų27.323%0.2316%0.156CC..Hα-helixtrans-65-37.5175.4-74.1-169.2-65.3139.2-8.7112.6E546 A900E546-R904 IonicContact OE1-NH1 2.68Å; E546-R904 IonicContact OE1-NH2 3.12Å; A900-R904 WeakPolarHBondContact O-CG 3.21Å; A900-R904 PolarHBondContact O-N 3Å
905T74.7Confident84.7Confident69 Ų6928.4 Ų28.442%0.42316%0.16SC..Hα-helixtrans-94.5-36.4-173.552.10000113.3M901 S902M901-T905 WeakPolarHBondContact O-CG2 3.47Å; M901-T905 PolarHBondContact O-N 2.93Å; M901-T905 PolarHBondContact O-OG1 3.06Å; S902-T905 PolarHBondContact O-N 2.64Å; S902-T905 PolarHBondContact O-OG1 2.88Å
906Q79.9Confident84.5Confident86 Ų8628.4 Ų28.440%0.40216%0.16SC..  trans-138.368.9-177.2-62.3-178-9.300111.2S902 S908 L909 H957S902-Q906 CarbonylContact O-C 3.59Å; S902-Q906 WeakPolarHBondContact O-CA 3.47Å; S902-Q906 PolarHBondContact O-N 2.89Å; Q906-S908 PolarHBondContact O-N 3.37Å; Q906-S908 VanDerWaalsContact O-N 3.07Å; Q906-L909 HydrophobicContact CB-CD1 3.92Å; Q906-L909 HydrophobicContact CB-CG 4.03Å; Q906-L909 WeakPolarHBondContact O-CB 3.03Å; Q906-L909 PolarHBondContact O-N 2.66Å; Q906-L909 VanDerWaalsContact O-N 3.13Å; Q906-H957 PolarHBondContact OE1-CE1 2.97Å
907P80.1Confident84.4Confident71 Ų7128.5 Ų28.546%0.46116%0.161SC..G310 helixtrans-56.4-29-178.2-18.223.8000114I903 L909 F910I903-P907 WeakPolarHBondContact O-CA 3.26Å; I903-P907 WeakPolarHBondContact O-CD 3.32Å; I903-P907 WeakPolarHBondContact O-CG 3.43Å; P907-L909 PolarHBondContact O-N 3.12Å; P907-F910 PolarHBondContact O-N 3.49Å
908S79.4Confident84.4Confident99 Ų9928.3 Ų28.369%0.69216%0.159SC*.G310 helixtrans-62.6-22.8-179.256.20000114Q906 F910 S911Q906-S908 PolarHBondContact O-N 3.37Å; Q906-S908 VanDerWaalsContact O-N 3.07Å; S908-F910 PolarHBondContact O-N 3.02Å; S908-S911 WeakPolarHBondContact O-CB 3.38Å; S908-S911 PolarHBondContact O-N 3.37Å
909L84.1Confident84.3Confident29 Ų2928.7 Ų28.715%0.15216%0.163CC..G310 helixtrans-62.1-23173.6-69.2-179.7000112.9Q906 P907Q906-L909 HydrophobicContact CB-CD1 3.92Å; Q906-L909 HydrophobicContact CB-CG 4.03Å; Q906-L909 WeakPolarHBondContact O-CB 3.03Å; Q906-L909 PolarHBondContact O-N 2.66Å; Q906-L909 VanDerWaalsContact O-N 3.13Å; P907-L909 PolarHBondContact O-N 3.12Å
910F86.9Confident84Confident0 Ų028.9 Ų28.90%016%0.164CC..G310 helixtrans-105.816.8-175.7-57.8-92.3000112.6K850 L899 I903 P907 S908 E912 M913 L916 L960K850-F910 PolarHBondContact NZ-O 3.09Å; L899-F910 HydrophobicContact CD2-CE1 3.83Å; L899-F910 HydrophobicContact CD2-CZ 4.13Å; I903-F910 HydrophobicContact CB-CD2 3.93Å; I903-F910 HydrophobicContact CB-CE2 3.76Å; I903-F910 HydrophobicContact CB-CZ 4.24Å; I903-F910 HydrophobicContact CD1-CB 4.29Å; I903-F910 HydrophobicContact CD1-CD2 4.2Å; I903-F910 HydrophobicContact CD1-CG 4.08Å; I903-F910 HydrophobicContact CG1-CD2 3.79Å; I903-F910 HydrophobicContact CG1-CE2 4.17Å; I903-F910 HydrophobicContact CG1-CG 4.18Å; P907-F910 PolarHBondContact O-N 3.49Å; S908-F910 PolarHBondContact O-N 3.02Å; F910-E912 PolarHBondContact O-N 3.05Å; F910-M913 HydrophobicContact CD1-CE 4.26Å; F910-M913 PolarHBondContact O-N 3.45Å; F910-L916 HydrophobicContact CD1-CD1 4.14Å; F910-L916 HydrophobicContact CD1-CD2 3.92Å; F910-L916 HydrophobicContact CE1-CD1 4.03Å; F910-L916 HydrophobicContact CE1-CD2 4.28Å; F910-L960 HydrophobicContact CE1-CD1 4.21Å; F910-L960 HydrophobicContact CE1-CD2 4.35Å; F910-L960 HydrophobicContact CZ-CD1 3.84Å
911S79.3Confident84.1Confident64 Ų6428.8 Ų28.845%0.44816%0.163SC..THydrogen-bonded Turntrans-59.5135.2178.4-167.80000111S908 M913S908-S911 WeakPolarHBondContact O-CB 3.38Å; S908-S911 PolarHBondContact O-N 3.37Å; S911-M913 PolarHBondContact O-N 2.79Å
912E78.7Confident84.4Confident43 Ų4328.6 Ų28.620%0.20116%0.162CC..THydrogen-bonded Turntrans56.712.4-177.3-57.2-61.6129.700115.9F910 V1064 V1066F910-E912 PolarHBondContact O-N 3.05Å; E912-V1064 HydrophobicContact CB-CG2 4.02Å; E912-V1064 WeakPolarHBondContact CB-O 3.21Å; E912-V1066 HydrophobicContact CG-CB 4.45Å; E912-V1066 HydrophobicContact CG-CG2 3.99Å
913M86.1Confident84.3Confident0 Ų031.6 Ų31.60%018%0.176CC..  trans-99.4105.5172.3-64.2167.45600108.4K850 F910 S911 L916 L960 L1061 R1063K850-M913 WeakPolarHBondContact CD-O 3.38Å; K850-M913 WeakPolarHBondContact CE-O 3.47Å; K850-M913 PolarHBondContact NZ-O 3.04Å; F910-M913 HydrophobicContact CD1-CE 4.26Å; F910-M913 PolarHBondContact O-N 3.45Å; S911-M913 PolarHBondContact O-N 2.79Å; M913-L916 HydrophobicContact CB-CD2 4.36Å; M913-L916 HydrophobicContact CE-CD2 3.5Å; M913-L960 HydrophobicContact CE-CD2 4.32Å; M913-L1061 HydrophobicContact CE-CB 3.95Å; M913-L1061 HydrophobicContact CE-CD2 4.13Å; M913-L1061 WeakPolarHBondContact CE-O 3.18Å; M913-L1061 WeakPolarHBondContact CG-O 3.44Å; M913-R1063 HydrophobicContact CG-CB 4.42Å
914F82.9Confident84.4Confident29 Ų2932.3 Ų32.313%0.12718%0.18CC..  trans-95.6-17.4180-68.2-71.7000113.8H851 Y1069 I1102H851-F914 PolarHBondContact N-O 2.98Å; F914-Y1069 HydrophobicContact CD2-CD2 4.45Å; F914-Y1069 AromaticContact CD2-CE2 3.66Å; F914-Y1069 HydrophobicContact CD2-CE2 3.66Å; F914-Y1069 AromaticContact CD2-CZ 3.83Å; F914-Y1069 AromaticContact CE2-CD2 3.82Å; F914-Y1069 HydrophobicContact CE2-CD2 3.82Å; F914-Y1069 AromaticContact CE2-CE2 3.36Å; F914-Y1069 HydrophobicContact CE2-CE2 3.36Å; F914-I1102 HydrophobicContact CD1-CG2 4.3Å; F914-I1102 HydrophobicContact CE1-CG1 4.37Å; F914-I1102 HydrophobicContact CE1-CG2 4.39Å
915R87.3Confident84.9Confident22 Ų2229.4 Ų29.48%0.08317%0.169CC..EExtended strand (participates in β ladder)trans-134.9123.5177.8-178.6178.2-77.2-174.4-0.5110.8H851 T853 R917 N1062H851-R915 HydrophobicContact CB-CB 4.28Å; H851-R915 HydrophobicContact CB-CG 4.26Å; H851-R915 CarbonylContact O-C 3.4Å; H851-R915 VanDerWaalsContact O-CA 3.25Å; H851-R915 WeakPolarHBondContact O-CA 3.2Å; T853-R915 HydrophobicContact CG2-CG 4.06Å; R915-R917 HydrophobicContact CG-CG 4.3Å; R915-N1062 PolarHBondContact O-ND2 3.46Å
916L90.2Very high85.5Confident0 Ų026.2 Ų26.20%015%0.15CC..EExtended strand (participates in β ladder)trans-98.9114.2176.4-51.9178.4000109.6L845 K850 H851 L852 T853 L899 F910 M913 I918L845-L916 HydrophobicContact CD2-CD1 3.84Å; K850-L916 HydrophobicContact CB-CD1 4.12Å; K850-L916 HydrophobicContact CB-CG 4.24Å; K850-L916 HydrophobicContact CG-CD1 4.49Å; H851-L916 PolarHBondContact O-N 2.8Å; L852-L916 WeakPolarHBondContact CA-O 3.3Å; L852-L916 HydrophobicContact CD2-CB 3.88Å; L852-L916 HydrophobicContact CD2-CD1 3.93Å; L852-L916 HydrophobicContact CD2-CG 4.22Å; T853-L916 PolarHBondContact N-O 3.23Å; L899-L916 HydrophobicContact CD1-CD1 4.37Å; F910-L916 HydrophobicContact CD1-CD1 4.14Å; F910-L916 HydrophobicContact CD1-CD2 3.92Å; F910-L916 HydrophobicContact CE1-CD1 4.03Å; F910-L916 HydrophobicContact CE1-CD2 4.28Å; M913-L916 HydrophobicContact CB-CD2 4.36Å; M913-L916 HydrophobicContact CE-CD2 3.5Å; L916-I918 PolarHBondContact O-N 2.84Å
917R89.5Confident85.5Confident3 Ų324.5 Ų24.51%0.01115%0.145CC..EExtended strand (participates in β ladder)trans-95.689.9-178.2-57.8179.674.5175.712.3110T853 P857 E862 R915 G919 L920 I921 N1062 N1113T853-R917 VanDerWaalsContact OG1-CA 3.26Å; T853-R917 WeakPolarHBondContact OG1-CA 3.26Å; T853-R917 WeakPolarHBondContact OG1-CB 3.33Å; T853-R917 WeakPolarHBondContact OG1-CG 3.26Å; P857-R917 VanDerWaalsContact CB-NH2 3.27Å; E862-R917 IonicContact OE1-CZ 3.92Å; E862-R917 IonicContact OE1-NE 2.82Å; E862-R917 PolarHBondContact OE1-NE 3.3Å; E862-R917 IonicContact OE1-NH2 3.27Å; E862-R917 PolarHBondContact OE1-NH2 3.33Å; E862-R917 IonicContact OE2-CZ 2.83Å; E862-R917 IonicContact OE2-NE 3.76Å; E862-R917 IonicContact OE2-NH2 3.78Å; E862-R917 PolarHBondContact OE2-NH2 3.33Å; R915-R917 HydrophobicContact CG-CG 4.3Å; R917-G919 VanDerWaalsContact C-N 3.31Å; R917-G919 PolarHBondContact O-N 3.04Å; R917-L920 HydrophobicContact CB-CB 4.12Å; R917-L920 HydrophobicContact CB-CD1 4.19Å; R917-L920 HydrophobicContact CB-CG 4.28Å; R917-L920 PolarHBondContact O-N 2.93Å; R917-L920 VanDerWaalsContact O-N 3.12Å; R917-I921 WeakPolarHBondContact O-CG1 3.46Å; R917-I921 PolarHBondContact O-N 2.83Å; R917-N1062 WeakPolarHBondContact CD-ND2 3.48Å; R917-N1113 PolarHBondContact NH1-OD1 3.45Å
918I91.9Very high85.5Confident0 Ų021.6 Ų21.60%013%0.125CC..Hα-helixtrans-61.4-40-167.9-60.8170.5000111.2T853 V854 T892 I895 M896 L899 L916 L920 I921 I922T853-I918 WeakPolarHBondContact O-CB 3.39Å; T853-I918 PolarHBondContact O-N 3.45Å; V854-I918 HydrophobicContact CG1-CD1 3.99Å; T892-I918 HydrophobicContact CG2-CG2 3.92Å; I895-I918 HydrophobicContact CB-CG2 4.17Å; I895-I918 HydrophobicContact CG2-CG2 3.9Å; M896-I918 HydrophobicContact CB-CD1 4.05Å; M896-I918 HydrophobicContact CG-CD1 4.13Å; M896-I918 HydrophobicContact SD-CD1 4.17Å; L899-I918 HydrophobicContact CD1-CG1 4.07Å; L916-I918 PolarHBondContact O-N 2.84Å; I918-L920 PolarHBondContact O-N 3.29Å; I918-I921 WeakPolarHBondContact O-CB 3.29Å; I918-I921 PolarHBondContact O-N 3Å; I918-I922 HydrophobicContact CG2-CD1 4.09Å; I918-I922 WeakPolarHBondContact O-CG1 3.34Å; I918-I922 PolarHBondContact O-N 3.4Å
919G88.9Confident85.6Confident7 Ų716.9 Ų16.97%0.0729%0.092CC..Hα-helixtrans-61.3-42.317600000113.4G855 L856 R917 I922 Q923G855-G919 WeakPolarHBondContact O-CA 3.46Å; L856-G919 WeakPolarHBondContact CD2-O 3.4Å; R917-G919 VanDerWaalsContact C-N 3.31Å; R917-G919 PolarHBondContact O-N 3.04Å; G919-I922 PolarHBondContact O-N 3.35Å; G919-Q923 PolarHBondContact O-N 3.37Å
920L86.6Confident85.4Confident4 Ų416.3 Ų16.32%0.0219%0.092CC..Hα-helixtrans-69-34.9175.9-70.8-174.6000112.2L856 P857 R917 I918 I922 Q923 V924 A1060L856-L920 HydrophobicContact CD2-CD2 4.34Å; P857-L920 HydrophobicContact CG-CD1 4.23Å; P857-L920 HydrophobicContact CG-CD2 3.73Å; P857-L920 HydrophobicContact CG-CG 4.08Å; R917-L920 HydrophobicContact CB-CB 4.12Å; R917-L920 HydrophobicContact CB-CD1 4.19Å; R917-L920 HydrophobicContact CB-CG 4.28Å; R917-L920 PolarHBondContact O-N 2.93Å; R917-L920 VanDerWaalsContact O-N 3.12Å; I918-L920 PolarHBondContact O-N 3.29Å; L920-I922 VanDerWaalsContact C-N 3.35Å; L920-Q923 PolarHBondContact O-N 2.83Å; L920-V924 WeakPolarHBondContact O-CB 3.02Å; L920-V924 WeakPolarHBondContact O-CG2 3.45Å; L920-V924 PolarHBondContact O-N 2.68Å; L920-A1060 HydrophobicContact CB-CB 4.21Å
921I89.8Confident85Confident1 Ų121.3 Ų21.31%0.00512%0.115CC..Hα-helixtrans-60.3-46.6173.3-68.6168.3000110I895 L899 R917 I918 Q923 V924 M925 L956 L1061I895-I921 HydrophobicContact CG2-CG2 4.29Å; L899-I921 HydrophobicContact CD1-CD1 4.2Å; L899-I921 HydrophobicContact CD2-CD1 4.41Å; R917-I921 WeakPolarHBondContact O-CG1 3.46Å; R917-I921 PolarHBondContact O-N 2.83Å; I918-I921 WeakPolarHBondContact O-CB 3.29Å; I918-I921 PolarHBondContact O-N 3Å; I921-Q923 VanDerWaalsContact C-N 3.34Å; I921-Q923 PolarHBondContact O-N 2.9Å; I921-V924 WeakPolarHBondContact O-CB 3.33Å; I921-V924 PolarHBondContact O-N 3.05Å; I921-M925 HydrophobicContact CG2-SD 4.17Å; I921-M925 VanDerWaalsContact O-CG 3.27Å; I921-M925 WeakPolarHBondContact O-CG 3.45Å; I921-M925 PolarHBondContact O-N 3.38Å; I921-L956 HydrophobicContact CG2-CD1 3.49Å; I921-L956 VanDerWaalsContact CG2-CD1 3.49Å; I921-L1061 HydrophobicContact CD1-CD2 4.15Å; I921-L1061 HydrophobicContact CG1-CD2 3.82Å
922I89.4Confident84.9Confident4 Ų420.2 Ų20.22%0.02111%0.107CC..Hα-helixtrans-61.2-43.1176.2-67.8167.7000111F719 L891 I895 I918 G919 L920 V924 M925 A926 L944F719-I922 HydrophobicContact CE1-CG2 4.27Å; F719-I922 HydrophobicContact CZ-CG2 3.91Å; L891-I922 HydrophobicContact CD2-CD1 4.25Å; L891-I922 HydrophobicContact CD2-CG1 4.32Å; L891-I922 HydrophobicContact CD2-CG2 3.74Å; L891-I922 HydrophobicContact CG-CD1 4.18Å; L891-I922 HydrophobicContact CG-CG1 4.48Å; I895-I922 HydrophobicContact CG1-CD1 4.39Å; I895-I922 HydrophobicContact CG1-CG1 4.04Å; I918-I922 HydrophobicContact CG2-CD1 4.09Å; I918-I922 WeakPolarHBondContact O-CG1 3.34Å; I918-I922 PolarHBondContact O-N 3.4Å; G919-I922 PolarHBondContact O-N 3.35Å; L920-I922 VanDerWaalsContact C-N 3.35Å; I922-V924 VanDerWaalsContact C-N 3.35Å; I922-V924 PolarHBondContact O-N 3.47Å; I922-M925 WeakPolarHBondContact O-CB 3.27Å; I922-M925 PolarHBondContact O-N 3.38Å; I922-A926 PolarHBondContact O-N 2.88Å; I922-L944 HydrophobicContact CG2-CD2 4.16Å
923Q85.7Confident84.9Confident70 Ų7019.3 Ų19.333%0.32710%0.104SC..Hα-helixtrans-62.7-41.1177.3-176.1-179.7-5.700112.3L856 G919 L920 I921 A926 T927L856-Q923 HydrophobicContact CD2-CB 4.29Å; G919-Q923 PolarHBondContact O-N 3.37Å; L920-Q923 PolarHBondContact O-N 2.83Å; I921-Q923 VanDerWaalsContact C-N 3.34Å; I921-Q923 PolarHBondContact O-N 2.9Å; Q923-A926 PolarHBondContact O-N 3.16Å; Q923-T927 WeakPolarHBondContact O-CB 3.45Å; Q923-T927 PolarHBondContact O-N 3.5Å; Q923-T927 PolarHBondContact O-OG1 3.3Å
924V84.8Confident84.5Confident17 Ų1724.7 Ų24.710%0.10314%0.141CC..Hα-helixtrans-61.6-45.7173.4163.60000110.2L920 I921 I922 A926 T927 E928 I959 L1057 A1060L920-V924 WeakPolarHBondContact O-CB 3.02Å; L920-V924 WeakPolarHBondContact O-CG2 3.45Å; L920-V924 PolarHBondContact O-N 2.68Å; I921-V924 WeakPolarHBondContact O-CB 3.33Å; I921-V924 PolarHBondContact O-N 3.05Å; I922-V924 VanDerWaalsContact C-N 3.35Å; I922-V924 PolarHBondContact O-N 3.47Å; V924-A926 VanDerWaalsContact C-N 3.34Å; V924-A926 PolarHBondContact O-N 2.93Å; V924-T927 PolarHBondContact O-N 3.36Å; V924-E928 HydrophobicContact CG1-CG 4.1Å; V924-E928 WeakPolarHBondContact O-CB 3.31Å; V924-E928 WeakPolarHBondContact O-CG 3.31Å; V924-E928 PolarHBondContact O-N 3.45Å; V924-I959 HydrophobicContact CG1-CD1 4.19Å; V924-I959 HydrophobicContact CG1-CG1 4.39Å; V924-I959 HydrophobicContact CG1-CG2 3.96Å; V924-L1057 HydrophobicContact CG1-CD2 3.32Å; V924-A1060 HydrophobicContact CG2-CB 3.56Å
925M86.6Confident84.4Confident0 Ų024.4 Ų24.40%014%0.143CC..Hα-helixtrans-55.5-47.3176.5-69.9172.384.100112I895 I921 I922 L929 L944 L952 L955 L956 I959I895-M925 HydrophobicContact CD1-CE 3.87Å; I895-M925 HydrophobicContact CD1-SD 3.74Å; I921-M925 HydrophobicContact CG2-SD 4.17Å; I921-M925 VanDerWaalsContact O-CG 3.27Å; I921-M925 WeakPolarHBondContact O-CG 3.45Å; I921-M925 PolarHBondContact O-N 3.38Å; I922-M925 WeakPolarHBondContact O-CB 3.27Å; I922-M925 PolarHBondContact O-N 3.38Å; M925-L929 WeakPolarHBondContact O-CG 3.46Å; M925-L929 PolarHBondContact O-N 3.3Å; M925-L929 VanDerWaalsContact O-N 3.09Å; M925-L944 HydrophobicContact CB-CD1 4Å; M925-L944 HydrophobicContact CB-CD2 4.22Å; M925-L944 HydrophobicContact CE-CD1 4.3Å; M925-L952 HydrophobicContact CE-CD1 3.36Å; M925-L952 HydrophobicContact CE-CG 4.03Å; M925-L952 WeakPolarHBondContact CE-O 3.39Å; M925-L955 HydrophobicContact CB-CD2 4.04Å; M925-L955 HydrophobicContact CE-CB 3.99Å; M925-L955 HydrophobicContact CE-CD2 3.83Å; M925-L955 HydrophobicContact CE-CG 3.84Å; M925-L955 HydrophobicContact CG-CD2 4.31Å; M925-L955 HydrophobicContact CG-CG 4.32Å; M925-L956 HydrophobicContact CE-CB 4.05Å; M925-L956 HydrophobicContact SD-CD1 4.31Å; M925-I959 HydrophobicContact CB-CD1 4.04Å; M925-I959 HydrophobicContact CG-CD1 3.24Å
926A86.4Confident84Confident2 Ų225.8 Ų25.82%0.01716%0.156CC..Hα-helixtrans-63.7-42.4177.100000112.3I922 Q923 V924 L929 A930 A940 L944I922-A926 PolarHBondContact O-N 2.88Å; Q923-A926 PolarHBondContact O-N 3.16Å; V924-A926 VanDerWaalsContact C-N 3.34Å; V924-A926 PolarHBondContact O-N 2.93Å; A926-L929 PolarHBondContact O-N 3.37Å; A926-A930 PolarHBondContact O-N 3.35Å; A926-A940 WeakPolarHBondContact O-CB 3.5Å; A926-L944 HydrophobicContact CB-CD2 4.08Å
927T81.2Confident83.2Confident50 Ų5027 Ų2731%0.30717%0.169SC..Hα-helixtrans-67.2-39.6-179.4-53.50000111.8Q923 V924 L929 A930 Q931Q923-T927 WeakPolarHBondContact O-CB 3.45Å; Q923-T927 PolarHBondContact O-N 3.5Å; Q923-T927 PolarHBondContact O-OG1 3.3Å; V924-T927 PolarHBondContact O-N 3.36Å; T927-L929 VanDerWaalsContact C-N 3.35Å; T927-A930 PolarHBondContact O-N 2.84Å; T927-Q931 PolarHBondContact O-N 3.2Å
928E79.9Confident82.5Confident9 Ų932.2 Ų32.24%0.04219%0.193CC..Hα-helixtrans-64.9-38.4175.7-72.1-64.5153.500112V924 S932 F965 R1053V924-E928 HydrophobicContact CG1-CG 4.1Å; V924-E928 WeakPolarHBondContact O-CB 3.31Å; V924-E928 WeakPolarHBondContact O-CG 3.31Å; V924-E928 PolarHBondContact O-N 3.45Å; E928-S932 VanDerWaalsContact O-CB 3.28Å; E928-S932 WeakPolarHBondContact O-CB 3.42Å; E928-S932 PolarHBondContact O-N 2.95Å; E928-S932 PolarHBondContact O-OG 3.43Å; E928-F965 HydrophobicContact CB-CZ 4.16Å; E928-F965 HydrophobicContact CG-CZ 4.47Å; E928-R1053 VanDerWaalsContact CD-NH2 3.32Å; E928-R1053 WeakPolarHBondContact OE1-CG 3.42Å; E928-R1053 IonicContact OE1-CZ 3.91Å; E928-R1053 IonicContact OE1-NE 3.14Å; E928-R1053 PolarHBondContact OE1-NE 3.41Å; E928-R1053 IonicContact OE1-NH2 3.73Å; E928-R1053 IonicContact OE2-CZ 2.65Å; E928-R1053 IonicContact OE2-NE 3.89Å; E928-R1053 PolarHBondContact OE2-NE 3.15Å; E928-R1053 IonicContact OE2-NH2 3.98Å; E928-R1053 PolarHBondContact OE2-NH2 2.83Å
929L81.9Confident81.7Confident0 Ų036.2 Ų36.20%021%0.212CC..Hα-helixtrans-65.5-45.7171.9-74.4172.4000111.6M925 A926 T927 Q931 S932 L933 A940 L944 L947 L955 V967M925-L929 WeakPolarHBondContact O-CG 3.46Å; M925-L929 PolarHBondContact O-N 3.3Å; M925-L929 VanDerWaalsContact O-N 3.09Å; A926-L929 PolarHBondContact O-N 3.37Å; T927-L929 VanDerWaalsContact C-N 3.35Å; L929-Q931 VanDerWaalsContact C-N 3.29Å; L929-Q931 PolarHBondContact O-N 3.47Å; L929-S932 PolarHBondContact O-N 2.88Å; L929-L933 VanDerWaalsContact O-CB 3.26Å; L929-L933 WeakPolarHBondContact O-CB 3.42Å; L929-L933 WeakPolarHBondContact O-CG 3.27Å; L929-L933 PolarHBondContact O-N 3.48Å; L929-A940 HydrophobicContact CB-CB 4.38Å; L929-L944 HydrophobicContact CD1-CB 3.78Å; L929-L944 HydrophobicContact CD1-CD1 3.69Å; L929-L944 HydrophobicContact CD1-CG 4.32Å; L929-L947 HydrophobicContact CD1-CD1 4.2Å; L929-L955 HydrophobicContact CD1-CD2 3.86Å; L929-L955 HydrophobicContact CD2-CD2 4.2Å; L929-L955 HydrophobicContact CG-CD2 3.91Å; L929-V967 HydrophobicContact CD2-CG1 4.02Å; L929-V967 HydrophobicContact CD2-CG2 4.28Å
930A80.3Confident81.3Confident17 Ų1735.9 Ų35.914%0.1421%0.209CC..Hα-helixtrans-56.7-44.7178.300000111.8A926 T927 S934 C935 A940A926-A930 PolarHBondContact O-N 3.35Å; T927-A930 PolarHBondContact O-N 2.84Å; A930-S934 WeakPolarHBondContact O-CA 3.17Å; A930-S934 PolarHBondContact O-N 3.06Å; A930-C935 PolarHBondContact O-N 3.27Å; A930-C935 VanDerWaalsContact O-N 3.09Å; A930-A940 HydrophobicContact CB-CB 3.54Å
931Q76.6Confident81.1Confident106 Ų10636.4 Ų36.450%0.49521%0.212SC..Hα-helixtrans-67.8-46.8178.2-174.6175.46.900111.8T927 L929 L933 S934T927-Q931 PolarHBondContact O-N 3.2Å; L929-Q931 VanDerWaalsContact C-N 3.29Å; L929-Q931 PolarHBondContact O-N 3.47Å; Q931-L933 VanDerWaalsContact C-N 3.34Å; Q931-L933 PolarHBondContact O-N 2.94Å; Q931-S934 PolarHBondContact O-N 2.85Å
932S78.7Confident80.8Confident40 Ų4043 Ų4328%0.2824%0.242SC..Hα-helixtrans-68-35.2-176.5-56.10000112.4E928 L929E928-S932 VanDerWaalsContact O-CB 3.28Å; E928-S932 WeakPolarHBondContact O-CB 3.42Å; E928-S932 PolarHBondContact O-N 2.95Å; E928-S932 PolarHBondContact O-OG 3.43Å; L929-S932 PolarHBondContact O-N 2.88Å
933L77.5Confident80.5Confident24 Ų2443.6 Ų43.613%0.12625%0.247CC..Hα-helixtrans-89.4-6.9178.3-62.9179000113.5L929 Q931 C935 V967 R969 I982L929-L933 VanDerWaalsContact O-CB 3.26Å; L929-L933 WeakPolarHBondContact O-CB 3.42Å; L929-L933 WeakPolarHBondContact O-CG 3.27Å; L929-L933 PolarHBondContact O-N 3.48Å; Q931-L933 VanDerWaalsContact C-N 3.34Å; Q931-L933 PolarHBondContact O-N 2.94Å; L933-C935 HydrophobicContact CB-CB 4.34Å; L933-C935 PolarHBondContact O-N 3.44Å; L933-V967 HydrophobicContact CD2-CB 4.33Å; L933-V967 HydrophobicContact CD2-CG1 3.73Å; L933-V967 HydrophobicContact CG-CG1 4.18Å; L933-R969 HydrophobicContact CD2-CG 3.89Å; L933-I982 HydrophobicContact CD1-CD1 4.07Å
934S78.8Confident80.6Confident113 Ų11340.2 Ų40.279%0.7923%0.231SC*.THydrogen-bonded Turntrans5142.6-173.5-600000113A930 Q931A930-S934 WeakPolarHBondContact O-CA 3.17Å; A930-S934 PolarHBondContact O-N 3.06Å; Q931-S934 PolarHBondContact O-N 2.85Å
935C80.9Confident80.8Confident24 Ų2440.7 Ų40.716%0.16223%0.233CC..  trans-114.5171.9-176.771.60000112.4A930 L933 E939A930-C935 PolarHBondContact O-N 3.27Å; A930-C935 VanDerWaalsContact O-N 3.09Å; L933-C935 HydrophobicContact CB-CB 4.34Å; L933-C935 PolarHBondContact O-N 3.44Å; C935-E939 HydrophobicContact CB-CB 4.17Å; C935-E939 WeakPolarHBondContact CB-OE2 3.29Å
936S79.1Confident80.9Confident51 Ų5142.4 Ų42.436%0.35725%0.245SC..  trans-65.9158.6172.972.20000111.2E938 E939 A940S936-E938 VanDerWaalsContact C-N 3.29Å; S936-E938 PolarHBondContact O-N 3.39Å; S936-E939 PolarHBondContact O-N 3.26Å; S936-E939 WeakPolarHBondContact OG-CB 3.5Å; S936-E939 VanDerWaalsContact OG-CD 3.26Å; S936-E939 VanDerWaalsContact OG-CG 3.26Å; S936-E939 WeakPolarHBondContact OG-CG 3.47Å; S936-E939 PolarHBondContact OG-N 3.09Å; S936-E939 PolarHBondContact OG-OE1 3.47Å; S936-A940 WeakPolarHBondContact O-CB 3.44Å; S936-A940 PolarHBondContact O-N 3.2Å
937G72.8Confident81.1Confident26 Ų2642.4 Ų42.427%0.26824%0.244SC..Hα-helixtrans-65.8-31178.700000113.5L718 A940 T941L718-G937 VanDerWaalsContact CD2-C 3.47Å; L718-G937 VanDerWaalsContact CD2-CA 3.42Å; G937-A940 PolarHBondContact O-N 2.96Å; G937-T941 PolarHBondContact O-N 2.72Å; G937-T941 PolarHBondContact O-OG1 3.07Å
938E74.3Confident81.6Confident111 Ų11140.4 Ų40.452%0.51923%0.232SC..Hα-helixtrans-68.5-47.3175.8-66.9177179.800110.6S936 A940 T941 E942S936-E938 VanDerWaalsContact C-N 3.29Å; S936-E938 PolarHBondContact O-N 3.39Å; E938-A940 VanDerWaalsContact C-N 3.27Å; E938-A940 PolarHBondContact O-N 3.29Å; E938-T941 PolarHBondContact O-N 3.19Å; E938-E942 PolarHBondContact O-N 2.72Å
939E76.4Confident82.1Confident84 Ų8440 Ų4039%0.39323%0.23SC..Hα-helixtrans-60-35.7173.5-74.4165.3-120.200112.7C935 S936 S943 R969C935-E939 HydrophobicContact CB-CB 4.17Å; C935-E939 WeakPolarHBondContact CB-OE2 3.29Å; S936-E939 PolarHBondContact O-N 3.26Å; S936-E939 WeakPolarHBondContact OG-CB 3.5Å; S936-E939 VanDerWaalsContact OG-CD 3.26Å; S936-E939 VanDerWaalsContact OG-CG 3.26Å; S936-E939 WeakPolarHBondContact OG-CG 3.47Å; S936-E939 PolarHBondContact OG-N 3.09Å; S936-E939 PolarHBondContact OG-OE1 3.47Å; E939-S943 VanDerWaalsContact O-CB 3.26Å; E939-S943 WeakPolarHBondContact O-CB 3.44Å; E939-S943 PolarHBondContact O-N 3.49Å; E939-S943 PolarHBondContact O-OG 2.98Å; E939-R969 IonicContact OE2-NH2 3.9Å
940A80.6Confident82.6Confident1 Ų140.4 Ų40.41%0.00823%0.233CC..Hα-helixtrans-69.9-38.3178.100000112.4A926 L929 A930 S936 G937 E938 S943 L944A926-A940 WeakPolarHBondContact O-CB 3.5Å; L929-A940 HydrophobicContact CB-CB 4.38Å; A930-A940 HydrophobicContact CB-CB 3.54Å; S936-A940 WeakPolarHBondContact O-CB 3.44Å; S936-A940 PolarHBondContact O-N 3.2Å; G937-A940 PolarHBondContact O-N 2.96Å; E938-A940 VanDerWaalsContact C-N 3.27Å; E938-A940 PolarHBondContact O-N 3.29Å; A940-S943 WeakPolarHBondContact O-CB 3.42Å; A940-S943 PolarHBondContact O-N 2.69Å; A940-L944 WeakPolarHBondContact O-CB 3.38Å; A940-L944 PolarHBondContact O-N 3.21Å
941T81.9Confident83Confident14 Ų1441.7 Ų41.79%0.08624%0.237CC..Hα-helixtrans-64.4-47.1172.8-65.10000110.7L718 F719 G937 E938 S943 L944 M945L718-T941 WeakPolarHBondContact O-CB 3.27Å; L718-T941 WeakPolarHBondContact O-CG2 3.42Å; L718-T941 PolarHBondContact O-OG1 3.19Å; F719-T941 HydrophobicContact CD1-CG2 3.62Å; F719-T941 HydrophobicContact CE1-CG2 3.64Å; G937-T941 PolarHBondContact O-N 2.72Å; G937-T941 PolarHBondContact O-OG1 3.07Å; E938-T941 PolarHBondContact O-N 3.19Å; T941-S943 VanDerWaalsContact C-N 3.29Å; T941-S943 PolarHBondContact O-N 3.09Å; T941-L944 WeakPolarHBondContact O-CB 3.48Å; T941-L944 PolarHBondContact O-N 3.02Å; T941-L944 VanDerWaalsContact O-N 3.13Å; T941-M945 HydrophobicContact CG2-CG 4.41Å; T941-M945 VanDerWaalsContact O-CG 3.27Å; T941-M945 WeakPolarHBondContact O-CG 3.42Å; T941-M945 PolarHBondContact O-N 3.24Å
942E82Confident83.8Confident139 Ų13936.7 Ų36.765%0.6521%0.213SC*.Hα-helixtrans-58.8-44.2176.4-172-179.5-175.300111.2E938 L944 M945 S946E938-E942 PolarHBondContact O-N 2.72Å; E942-L944 PolarHBondContact O-N 2.72Å; E942-M945 PolarHBondContact O-N 3.43Å; E942-S946 PolarHBondContact O-N 2.95Å
943S84.6Confident84.3Confident17 Ų1735.7 Ų35.712%0.11920%0.204CC..Hα-helixtrans-57-46.6173.6-63.70000111.7E939 A940 T941 M945 S946 L947E939-S943 VanDerWaalsContact O-CB 3.26Å; E939-S943 WeakPolarHBondContact O-CB 3.44Å; E939-S943 PolarHBondContact O-N 3.49Å; E939-S943 PolarHBondContact O-OG 2.98Å; A940-S943 WeakPolarHBondContact O-CB 3.42Å; A940-S943 PolarHBondContact O-N 2.69Å; T941-S943 VanDerWaalsContact C-N 3.29Å; T941-S943 PolarHBondContact O-N 3.09Å; S943-M945 VanDerWaalsContact C-N 3.33Å; S943-M945 PolarHBondContact O-N 3.18Å; S943-S946 WeakPolarHBondContact CA-OG 3.39Å; S943-S946 PolarHBondContact O-N 3.24Å; S943-S946 VanDerWaalsContact O-N 3.13Å; S943-S946 PolarHBondContact O-OG 2.82Å; S943-L947 PolarHBondContact O-N 3.34Å
944L87.9Confident84.8Confident0 Ų038.3 Ų38.30%022%0.218CC..Hα-helixtrans-59-43.1176.8-176.966.8000111.9L891 I922 M925 A926 L929 A940 T941 E942 S946 L947 L952 L955L891-L944 HydrophobicContact CD2-CD2 4.19Å; I922-L944 HydrophobicContact CG2-CD2 4.16Å; M925-L944 HydrophobicContact CB-CD1 4Å; M925-L944 HydrophobicContact CB-CD2 4.22Å; M925-L944 HydrophobicContact CE-CD1 4.3Å; A926-L944 HydrophobicContact CB-CD2 4.08Å; L929-L944 HydrophobicContact CD1-CB 3.78Å; L929-L944 HydrophobicContact CD1-CD1 3.69Å; L929-L944 HydrophobicContact CD1-CG 4.32Å; A940-L944 WeakPolarHBondContact O-CB 3.38Å; A940-L944 PolarHBondContact O-N 3.21Å; T941-L944 WeakPolarHBondContact O-CB 3.48Å; T941-L944 PolarHBondContact O-N 3.02Å; T941-L944 VanDerWaalsContact O-N 3.13Å; E942-L944 PolarHBondContact O-N 2.72Å; L944-S946 PolarHBondContact O-N 2.89Å; L944-L947 HydrophobicContact CD1-CD1 4.13Å; L944-L947 PolarHBondContact O-N 2.79Å; L944-L952 HydrophobicContact CD1-CD1 3.52Å; L944-L952 HydrophobicContact CG-CD1 4.35Å; L944-L955 HydrophobicContact CD1-CD2 3.94Å
945M87.4Confident85.3Confident26 Ų2633 Ų3313%0.12818%0.181CC..Hα-helixtrans-68.4-23.5178.6-62.2-58-85.300112.8G822 R825 L891 T941 E942 S943G822-M945 VanDerWaalsContact CA-O 3.27Å; G822-M945 WeakPolarHBondContact CA-O 3.44Å; G822-M945 PolarHBondContact N-O 2.67Å; R825-M945 PolarHBondContact NH1-O 3.36Å; L891-M945 HydrophobicContact CD2-SD 3.8Å; T941-M945 HydrophobicContact CG2-CG 4.41Å; T941-M945 VanDerWaalsContact O-CG 3.27Å; T941-M945 WeakPolarHBondContact O-CG 3.42Å; T941-M945 PolarHBondContact O-N 3.24Å; E942-M945 PolarHBondContact O-N 3.43Å; S943-M945 VanDerWaalsContact C-N 3.33Å; S943-M945 PolarHBondContact O-N 3.18Å
946S89.3Confident85.8Confident36 Ų3631.8 Ų31.825%0.25217%0.173SC..Hα-helixtrans-88.9-10.8178.276.50000114.5E942 S943 L944E942-S946 PolarHBondContact O-N 2.95Å; S943-S946 WeakPolarHBondContact CA-OG 3.39Å; S943-S946 PolarHBondContact O-N 3.24Å; S943-S946 VanDerWaalsContact O-N 3.13Å; S943-S946 PolarHBondContact O-OG 2.82Å; L944-S946 PolarHBondContact O-N 2.89Å
947L90.4Very high86.3Confident2 Ų232.1 Ų32.11%0.0117%0.168CC..SBendtrans-64.1142.9179-69.7-175.4000111.9R825 L929 S943 L944 E951 L955 I982R825-L947 PolarHBondContact NH1-O 2.92Å; R825-L947 PolarHBondContact NH2-O 3.31Å; R825-L947 VanDerWaalsContact NH2-O 3.09Å; L929-L947 HydrophobicContact CD1-CD1 4.2Å; S943-L947 PolarHBondContact O-N 3.34Å; L944-L947 HydrophobicContact CD1-CD1 4.13Å; L944-L947 PolarHBondContact O-N 2.79Å; L947-E951 HydrophobicContact CB-CB 4.18Å; L947-E951 HydrophobicContact CD2-CB 4.26Å; L947-L955 HydrophobicContact CD1-CD2 4.12Å; L947-I982 HydrophobicContact CD2-CB 3.9Å; L947-I982 HydrophobicContact CD2-CD1 4.02Å; L947-I982 HydrophobicContact CD2-CG1 4.49Å; L947-I982 HydrophobicContact CD2-CG2 4.2Å
948S92.1Very high86.8Confident8 Ų832.2 Ų32.26%0.05616%0.162CC..  trans-65.3157.7172.296.80000111.2D535 S950 E951 L952D535-S948 WeakPolarHBondContact OD2-CB 3.27Å; D535-S948 PolarHBondContact OD2-OG 2.99Å; S948-S950 VanDerWaalsContact C-N 3.27Å; S948-S950 PolarHBondContact O-N 3.4Å; S948-S950 PolarHBondContact OG-N 3.21Å; S948-S950 PolarHBondContact OG-OG 2.98Å; S948-S950 VanDerWaalsContact OG-OG 3.09Å; S948-E951 PolarHBondContact N-OE2 3.33Å; S948-E951 PolarHBondContact O-N 2.94Å; S948-E951 VanDerWaalsContact O-N 3.16Å; S948-E951 PolarHBondContact OG-N 3.13Å; S948-L952 WeakPolarHBondContact O-CB 3.48Å; S948-L952 PolarHBondContact O-N 3.3Å
949P91.8Very high87.3Confident0 Ų027 Ų270%014%0.138CC..Hα-helixtrans-47.5-45.8173.1-32.537.5000114.1Y531 L532 D535 M538 W821 Y898 L952 K953Y531-P949 HydrophobicContact CD2-CG 4.43Å; Y531-P949 HydrophobicContact CE2-CG 4.36Å; L532-P949 HydrophobicContact CD2-CB 3.73Å; L532-P949 HydrophobicContact CD2-CG 3.98Å; D535-P949 HydrophobicContact CB-CB 4.25Å; D535-P949 HydrophobicContact CB-CG 4.07Å; M538-P949 HydrophobicContact CB-CB 4.33Å; M538-P949 VanDerWaalsContact CE-C 3.45Å; M538-P949 HydrophobicContact CE-CB 3.6Å; M538-P949 VanDerWaalsContact CE-O 3.32Å; M538-P949 WeakPolarHBondContact CE-O 3.37Å; M538-P949 HydrophobicContact CG-CB 4.34Å; W821-P949 HydrophobicContact CE3-CG 4.24Å; W821-P949 HydrophobicContact CZ3-CG 4.1Å; Y898-P949 WeakPolarHBondContact OH-CA 3.44Å; Y898-P949 WeakPolarHBondContact OH-CB 3.3Å; P949-L952 PolarHBondContact O-N 3.39Å; P949-K953 WeakPolarHBondContact O-CB 3.21Å; P949-K953 PolarHBondContact O-N 3.07Å
950S90.6Very high87.7Confident9 Ų923.1 Ų23.16%0.06312%0.119CC..Hα-helixtrans-69.3-36.6-179.461.40000113.1D535 S948 N954D535-S950 PolarHBondContact OD1-OG 2.78Å; D535-S950 WeakPolarHBondContact OD2-CB 3.44Å; D535-S950 PolarHBondContact OD2-N 3.13Å; D535-S950 PolarHBondContact OD2-OG 3.17Å; S948-S950 VanDerWaalsContact C-N 3.27Å; S948-S950 PolarHBondContact O-N 3.4Å; S948-S950 PolarHBondContact OG-N 3.21Å; S948-S950 PolarHBondContact OG-OG 2.98Å; S948-S950 VanDerWaalsContact OG-OG 3.09Å; S950-N954 WeakPolarHBondContact O-CB 3.5Å; S950-N954 PolarHBondContact O-N 3.45Å; S950-N954 PolarHBondContact O-ND2 3.21Å; S950-N954 VanDerWaalsContact O-ND2 3.15Å
951E90.5Very high87.8Confident45 Ų4524.3 Ų24.321%0.2113%0.128CC..Hα-helixtrans-66-42.9175.2-69.9169.1163.200111.5L947 S948 N954 L955L947-E951 HydrophobicContact CB-CB 4.18Å; L947-E951 HydrophobicContact CD2-CB 4.26Å; S948-E951 PolarHBondContact N-OE2 3.33Å; S948-E951 PolarHBondContact O-N 2.94Å; S948-E951 VanDerWaalsContact O-N 3.16Å; S948-E951 PolarHBondContact OG-N 3.13Å; E951-N954 PolarHBondContact O-N 3.38Å; E951-L955 PolarHBondContact O-N 3.42Å
952L91.4Very high87.2Confident0 Ų024.4 Ų24.40%013%0.131CC..Hα-helixtrans-62.8-44.2177.5-172.968000111.7L891 E894 I895 Y898 M925 L944 S948 P949 N954 L955 L956L891-L952 HydrophobicContact CD1-CD1 4.12Å; L891-L952 HydrophobicContact CD1-CD2 3.27Å; L891-L952 HydrophobicContact CD1-CG 4.32Å; E894-L952 HydrophobicContact CB-CD2 4.44Å; E894-L952 WeakPolarHBondContact OE2-CD2 3.39Å; I895-L952 HydrophobicContact CD1-CD1 4.24Å; I895-L952 HydrophobicContact CD1-CD2 3.97Å; I895-L952 HydrophobicContact CD1-CG 3.91Å; Y898-L952 HydrophobicContact CE2-CB 4.22Å; Y898-L952 HydrophobicContact CE2-CD2 3.8Å; Y898-L952 HydrophobicContact CE2-CG 4.05Å; M925-L952 HydrophobicContact CE-CD1 3.36Å; M925-L952 HydrophobicContact CE-CG 4.03Å; M925-L952 WeakPolarHBondContact CE-O 3.39Å; L944-L952 HydrophobicContact CD1-CD1 3.52Å; L944-L952 HydrophobicContact CG-CD1 4.35Å; S948-L952 WeakPolarHBondContact O-CB 3.48Å; S948-L952 PolarHBondContact O-N 3.3Å; P949-L952 PolarHBondContact O-N 3.39Å; L952-N954 PolarHBondContact O-N 3Å; L952-L955 PolarHBondContact O-N 3.2Å; L952-L956 PolarHBondContact O-N 2.92Å
953K90.3Very high86.5Confident19 Ų1922.9 Ų22.98%0.08312%0.123CC..Hα-helixtrans-61.3-42.4174-177.4-172.6172.2-162.10112M538 E541 Y898 P949 L956 H957M538-K953 HydrophobicContact CE-CB 4.21Å; M538-K953 HydrophobicContact CE-CD 4.23Å; M538-K953 HydrophobicContact SD-CD 4.24Å; E541-K953 IonicContact OE1-NZ 2.66Å; Y898-K953 HydrophobicContact CD1-CB 4.38Å; Y898-K953 HydrophobicContact CD1-CG 4.43Å; Y898-K953 HydrophobicContact CD2-CB 4.01Å; Y898-K953 HydrophobicContact CE2-CB 4.26Å; Y898-K953 HydrophobicContact CG-CB 4.1Å; Y898-K953 HydrophobicContact CG-CG 4.19Å; P949-K953 WeakPolarHBondContact O-CB 3.21Å; P949-K953 PolarHBondContact O-N 3.07Å; K953-L956 PolarHBondContact O-N 2.86Å; K953-H957 PolarHBondContact O-N 3.17Å
954N88.5Confident85.5Confident80 Ų8024.6 Ų24.643%0.42813%0.129SC..Hα-helixtrans-64.6-43.3178.3-72.5-25.9000111.6S950 E951 L952 L956 H957 H958S950-N954 WeakPolarHBondContact O-CB 3.5Å; S950-N954 PolarHBondContact O-N 3.45Å; S950-N954 PolarHBondContact O-ND2 3.21Å; S950-N954 VanDerWaalsContact O-ND2 3.15Å; E951-N954 PolarHBondContact O-N 3.38Å; L952-N954 PolarHBondContact O-N 3Å; N954-L956 VanDerWaalsContact C-N 3.32Å; N954-L956 PolarHBondContact O-N 3.3Å; N954-H957 PolarHBondContact O-N 3.41Å; N954-H958 PolarHBondContact O-CD2 3.46Å; N954-H958 PolarHBondContact O-N 3.34Å
955L89.3Confident84.4Confident0 Ų025.3 Ų25.30%013%0.132CC..Hα-helixtrans-57.4-46.7174.1-179.356.6000111.2M925 L929 L944 L947 E951 L952 H957 H958 I959 F965 I984M925-L955 HydrophobicContact CB-CD2 4.04Å; M925-L955 HydrophobicContact CE-CB 3.99Å; M925-L955 HydrophobicContact CE-CD2 3.83Å; M925-L955 HydrophobicContact CE-CG 3.84Å; M925-L955 HydrophobicContact CG-CD2 4.31Å; M925-L955 HydrophobicContact CG-CG 4.32Å; L929-L955 HydrophobicContact CD1-CD2 3.86Å; L929-L955 HydrophobicContact CD2-CD2 4.2Å; L929-L955 HydrophobicContact CG-CD2 3.91Å; L944-L955 HydrophobicContact CD1-CD2 3.94Å; L947-L955 HydrophobicContact CD1-CD2 4.12Å; E951-L955 PolarHBondContact O-N 3.42Å; L952-L955 PolarHBondContact O-N 3.2Å; L955-H957 PolarHBondContact O-N 3.28Å; L955-H958 PolarHBondContact O-N 2.95Å; L955-I959 HydrophobicContact CD1-CD1 4.12Å; L955-I959 HydrophobicContact CG-CD1 4.06Å; L955-I959 WeakPolarHBondContact O-CG1 3.23Å; L955-I959 PolarHBondContact O-N 2.77Å; L955-F965 HydrophobicContact CD1-CE2 3.53Å; L955-F965 HydrophobicContact CD1-CZ 3.63Å; L955-I984 HydrophobicContact CB-CD1 3.79Å; L955-I984 HydrophobicContact CD1-CD1 4.38Å
956L90.9Very high82.8Confident0 Ų024.9 Ų24.90%013%0.134CC..Hα-helixtrans-59.9-46.6176.8178.864.7000111.8I895 L899 I921 M925 L952 K953 N954 H958 I959 L960I895-L956 HydrophobicContact CD1-CD2 4.45Å; I895-L956 HydrophobicContact CG2-CD1 4.48Å; I895-L956 HydrophobicContact CG2-CD2 4.25Å; L899-L956 HydrophobicContact CD2-CD1 4.24Å; L899-L956 HydrophobicContact CD2-CD2 4.09Å; L899-L956 HydrophobicContact CG-CD2 4.1Å; I921-L956 HydrophobicContact CG2-CD1 3.49Å; I921-L956 VanDerWaalsContact CG2-CD1 3.49Å; M925-L956 HydrophobicContact CE-CB 4.05Å; M925-L956 HydrophobicContact SD-CD1 4.31Å; L952-L956 PolarHBondContact O-N 2.92Å; K953-L956 PolarHBondContact O-N 2.86Å; N954-L956 VanDerWaalsContact C-N 3.32Å; N954-L956 PolarHBondContact O-N 3.3Å; L956-H958 VanDerWaalsContact C-N 3.3Å; L956-H958 PolarHBondContact O-N 3.22Å; L956-I959 PolarHBondContact O-N 2.72Å; L956-L960 HydrophobicContact CD1-CD1 4.22Å; L956-L960 HydrophobicContact CD1-CG 4.22Å; L956-L960 HydrophobicContact CG-CD1 3.99Å; L956-L960 HydrophobicContact CG-CG 4.4Å; L956-L960 WeakPolarHBondContact O-CG 3.42Å; L956-L960 PolarHBondContact O-N 3.22Å
957H88.4Confident81.4Confident57 Ų5723.7 Ų23.726%0.26413%0.126SC..Hα-helixtrans-59.1-42.2177.7177.772.6000111.9Q906 K953 N954 L955 L960 S961Q906-H957 PolarHBondContact OE1-CE1 2.97Å; K953-H957 PolarHBondContact O-N 3.17Å; N954-H957 PolarHBondContact O-N 3.41Å; L955-H957 PolarHBondContact O-N 3.28Å; H957-L960 PolarHBondContact O-N 2.87Å; H957-S961 VanDerWaalsContact O-CB 3.29Å; H957-S961 WeakPolarHBondContact O-CB 3.42Å; H957-S961 PolarHBondContact O-N 2.82Å; H957-S961 PolarHBondContact O-OG 2.83Å
958H84.7Confident79.9Confident29 Ų2929.9 Ų29.913%0.13415%0.154CC..Hα-helixtrans-62.1-44.1176.7-74.8-56.9000112.4N954 L955 L956 S961 G962 F965N954-H958 PolarHBondContact O-CD2 3.46Å; N954-H958 PolarHBondContact O-N 3.34Å; L955-H958 PolarHBondContact O-N 2.95Å; L956-H958 VanDerWaalsContact C-N 3.3Å; L956-H958 PolarHBondContact O-N 3.22Å; H958-S961 PolarHBondContact O-N 2.95Å; H958-S961 PolarHBondContact O-OG 2.9Å; H958-G962 PolarHBondContact O-N 3.39Å; H958-G962 VanDerWaalsContact O-N 3.14Å; H958-F965 HydrophobicContact CB-CB 4.32Å; H958-F965 HydrophobicContact CB-CD1 3.5Å; H958-F965 HydrophobicContact CB-CE1 3.84Å; H958-F965 HydrophobicContact CB-CG 3.9Å
959I84.9Confident78.3Confident2 Ų234.7 Ų34.71%0.0117%0.171CC..Hα-helixtrans-60.7-48175.9-73162.5000111.4V924 M925 L955 L956 S961 G962 F965 L1057 L1061V924-I959 HydrophobicContact CG1-CD1 4.19Å; V924-I959 HydrophobicContact CG1-CG1 4.39Å; V924-I959 HydrophobicContact CG1-CG2 3.96Å; M925-I959 HydrophobicContact CB-CD1 4.04Å; M925-I959 HydrophobicContact CG-CD1 3.24Å; L955-I959 HydrophobicContact CD1-CD1 4.12Å; L955-I959 HydrophobicContact CG-CD1 4.06Å; L955-I959 WeakPolarHBondContact O-CG1 3.23Å; L955-I959 PolarHBondContact O-N 2.77Å; L956-I959 PolarHBondContact O-N 2.72Å; I959-S961 VanDerWaalsContact C-N 3.34Å; I959-S961 PolarHBondContact O-N 3.34Å; I959-G962 PolarHBondContact O-N 2.89Å; I959-F965 HydrophobicContact CG1-CE1 4.34Å; I959-F965 HydrophobicContact CG1-CZ 4.36Å; I959-L1057 HydrophobicContact CG2-CD2 4.06Å; I959-L1061 HydrophobicContact CG2-CD1 4.38Å
960L85.1Confident76.1Confident1 Ų136.9 Ų36.91%0.00519%0.187CC..Hα-helixtrans-63.3-40177.5-66.9173.8000111.8L899 F910 M913 L956 H957 G962 L1061 R1063L899-L960 HydrophobicContact CD2-CD1 3.88Å; L899-L960 HydrophobicContact CD2-CD2 4.3Å; F910-L960 HydrophobicContact CE1-CD1 4.21Å; F910-L960 HydrophobicContact CE1-CD2 4.35Å; F910-L960 HydrophobicContact CZ-CD1 3.84Å; M913-L960 HydrophobicContact CE-CD2 4.32Å; L956-L960 HydrophobicContact CD1-CD1 4.22Å; L956-L960 HydrophobicContact CD1-CG 4.22Å; L956-L960 HydrophobicContact CG-CD1 3.99Å; L956-L960 HydrophobicContact CG-CG 4.4Å; L956-L960 WeakPolarHBondContact O-CG 3.42Å; L956-L960 PolarHBondContact O-N 3.22Å; H957-L960 PolarHBondContact O-N 2.87Å; L960-G962 PolarHBondContact O-N 2.94Å; L960-L1061 HydrophobicContact CD2-CD2 3.86Å; L960-R1063 PolarHBondContact O-NH2 2.7Å
961S82.3Confident73.5Confident27 Ų2742.7 Ų42.719%0.18922%0.221CC..Hα-helixtrans-68.4-20.8179.576.90000113.7H957 H958 I959 K963H957-S961 VanDerWaalsContact O-CB 3.29Å; H957-S961 WeakPolarHBondContact O-CB 3.42Å; H957-S961 PolarHBondContact O-N 2.82Å; H957-S961 PolarHBondContact O-OG 2.83Å; H958-S961 PolarHBondContact O-N 2.95Å; H958-S961 PolarHBondContact O-OG 2.9Å; I959-S961 VanDerWaalsContact C-N 3.34Å; I959-S961 PolarHBondContact O-N 3.34Å; S961-K963 PolarHBondContact O-N 2.74Å; S961-K963 PolarHBondContact OG-N 2.86Å
962G69.9Low70.9Confident15 Ų1551.2 Ų51.216%0.15525%0.252CS..THydrogen-bonded Turntrans64.414.3-175.200000114.4H958 I959 L960 R1054H958-G962 PolarHBondContact O-N 3.39Å; H958-G962 VanDerWaalsContact O-N 3.14Å; I959-G962 PolarHBondContact O-N 2.89Å; L960-G962 PolarHBondContact O-N 2.94Å; G962-R1054 PolarHBondContact O-NH1 3.37Å
963K67.2Low68.2Low108 Ų10860.4 Ų60.447%0.4729%0.294SS..  trans-81.6148.8175.1-64.6-178.6-178.6177.10110.6S961S961-K963 PolarHBondContact O-N 2.74Å; S961-K963 PolarHBondContact OG-N 2.86Å
964E63.2Low65.2Low52 Ų5263.6 Ų63.624%0.24333%0.325CS..  trans-71.6136.3174.4-67.2-179.9168.800110.3L987 T990 Q1050E964-L987 HydrophobicContact CB-CB 4.45Å; E964-L987 PolarHBondContact O-N 2.96Å; E964-T990 PolarHBondContact OE2-OG1 2.79Å; E964-Q1050 PolarHBondContact OE1-NE2 2.98Å
965F63.4Low62.3Low15 Ų1566.9 Ų66.97%0.06634%0.342CS..EExtended strand (participates in β ladder)trans-140.2155.918063.9-88000109.3E928 L955 H958 I959 V967 I984 H985 L987E928-F965 HydrophobicContact CB-CZ 4.16Å; E928-F965 HydrophobicContact CG-CZ 4.47Å; L955-F965 HydrophobicContact CD1-CE2 3.53Å; L955-F965 HydrophobicContact CD1-CZ 3.63Å; H958-F965 HydrophobicContact CB-CB 4.32Å; H958-F965 HydrophobicContact CB-CD1 3.5Å; H958-F965 HydrophobicContact CB-CE1 3.84Å; H958-F965 HydrophobicContact CB-CG 3.9Å; I959-F965 HydrophobicContact CG1-CE1 4.34Å; I959-F965 HydrophobicContact CG1-CZ 4.36Å; F965-V967 HydrophobicContact CD2-CG2 3.99Å; F965-V967 HydrophobicContact CE2-CG2 3.92Å; F965-I984 HydrophobicContact CD2-CG2 4.02Å; F965-H985 CarbonylContact C-O 3.52Å; F965-H985 WeakPolarHBondContact CA-O 3.48Å; F965-L987 VanDerWaalsContact C-CD1 3.41Å
966G53.8Low59.4Low18 Ų1874.5 Ų74.519%0.18639%0.388CS..EExtended strand (participates in β ladder)trans-119.1143.6-178.100000109.7I984 H985G966-I984 WeakPolarHBondContact O-CA 3.36Å; G966-H985 PolarHBondContact N-O 2.84Å; G966-H985 PolarHBondContact O-N 3.34Å
967V61Low56.9Low11 Ų1177.8 Ų77.87%0.06742%0.422CS..EExtended strand (participates in β ladder)trans-121.1129.4178.4-171.40000107.9L929 L933 F965 I982 S983 I984L929-V967 HydrophobicContact CD2-CG1 4.02Å; L929-V967 HydrophobicContact CD2-CG2 4.28Å; L933-V967 HydrophobicContact CD2-CB 4.33Å; L933-V967 HydrophobicContact CD2-CG1 3.73Å; L933-V967 HydrophobicContact CG-CG1 4.18Å; F965-V967 HydrophobicContact CD2-CG2 3.99Å; F965-V967 HydrophobicContact CE2-CG2 3.92Å; V967-I982 HydrophobicContact CG1-CG2 3.24Å; V967-S983 WeakPolarHBondContact CA-O 3.49Å; V967-I984 HydrophobicContact CG2-CG1 4.44Å
968Q58.9Low54.4Low131 Ų13180.7 Ų80.761%0.61244%0.444SS*.EExtended strand (participates in β ladder)trans-126.7141.6177.8-67.7-179.94.400110.1S970 S983Q968-S970 PolarHBondContact O-N 2.88Å; Q968-S983 PolarHBondContact N-O 2.62Å; Q968-S983 PolarHBondContact O-N 2.68Å
969R57.2Low52.2Low110 Ų11083.2 Ų83.242%0.41546%0.464SS..EExtended strand (participates in β ladder)trans-76.4120.7165.8-69.2-174.7176168.2-1.2107.8L933 E939 V971L933-R969 HydrophobicContact CD2-CG 3.89Å; E939-R969 IonicContact OE2-NH2 3.9Å; R969-V971 PolarHBondContact O-N 3.46Å
970S46.8Very low50.2Low46 Ų4686.8 Ų86.832%0.32249%0.488SS..  trans-72.5113.1170.7-176.60000108.6Q968 R972 A981Q968-S970 PolarHBondContact O-N 2.88Å; S970-R972 PolarHBondContact O-N 3.19Å; S970-A981 WeakPolarHBondContact CB-O 3.46Å; S970-A981 PolarHBondContact N-O 3.24Å
971V36.7Very low48.7Very low131 Ų13189.5 Ų89.579%0.79451%0.511SS*.  trans-86.390.9168.4-171.10000106.9R969R969-V971 PolarHBondContact O-N 3.46Å
972R34.7Very low47.6Very low224 Ų22488.6 Ų88.685%0.84550%0.503SS*.  trans-98.3117.4157.8-74.5-171.9176.5-171.7-0.7106.9S970 A974S970-R972 PolarHBondContact O-N 3.19Å; R972-A974 PolarHBondContact O-N 2.94Å; R972-A974 VanDerWaalsContact O-N 3.13Å
973E34.2Very low47.1Very low192 Ų19289.5 Ų89.590%0.89751%0.508SS*.  trans-66.6102.3167.7-73.5179.7155.400108.6
974A28.5Very low47Very low87 Ų8785.9 Ų85.972%0.71949%0.493SS*.  trans-178.7134.2146.400000112.3R972R972-A974 PolarHBondContact O-N 2.94Å; R972-A974 VanDerWaalsContact O-N 3.13Å
975D26.3Very low46.6Very low148 Ų14888.3 Ų88.379%0.79150%0.504SS*.  trans67.9125.3169.6-76.2-13000122G977D975-G977 PolarHBondContact O-N 3.44Å
976V29.9Very low46Very low160 Ų16092 Ų9297%0.9752%0.522SS*.THydrogen-bonded Turntrans-63.8110.9175178.70000109
977G37.8Very low45.7Very low69 Ų6995.3 Ų95.371%0.71154%0.535SS*.THydrogen-bonded Turntrans128.1-1.2171.900000116.5D975D975-G977 PolarHBondContact O-N 3.44Å
978V35.9Very low44.6Very low119 Ų11997.4 Ų97.472%0.72156%0.558SS**PPolyproline II helixtrans-101.8124.6176.5-173.40000110.1
979S38.7Very low43.5Very low81 Ų8197.4 Ų97.457%0.56656%0.563SS**PPolyproline II helixtrans-58.3139.6175.1-57.10000110.7A981S979-A981 PolarHBondContact O-N 3.26Å
980P43.4Very low42.4Very low77 Ų7796.6 Ų96.650%0.557%0.57SS.*PPolyproline II helixtrans-60.9125.6-177.423.4-32.3000110.8I982P980-I982 PolarHBondContact O-N 3.09Å
981A52.4Low42.1Very low59 Ų5996.6 Ų96.649%0.48858%0.577SS.*PPolyproline II helixtrans-64.9126.7179.300000110.5S970 S979S970-A981 WeakPolarHBondContact CB-O 3.46Å; S970-A981 PolarHBondContact N-O 3.24Å; S979-A981 PolarHBondContact O-N 3.26Å
982I60.2Low41.9Very low7 Ų791.6 Ų91.64%0.03655%0.55CS..EExtended strand (participates in β ladder)trans-97.7120.9-178.8-65.5171.5000108.7L933 L947 V967 P980L933-I982 HydrophobicContact CD1-CD1 4.07Å; L947-I982 HydrophobicContact CD2-CB 3.9Å; L947-I982 HydrophobicContact CD2-CD1 4.02Å; L947-I982 HydrophobicContact CD2-CG1 4.49Å; L947-I982 HydrophobicContact CD2-CG2 4.2Å; V967-I982 HydrophobicContact CG1-CG2 3.24Å; P980-I982 PolarHBondContact O-N 3.09Å
983S59.4Low42.2Very low35 Ų3584.1 Ų84.125%0.24553%0.529CS..EExtended strand (participates in β ladder)trans-104131.5175.471.40000111.9V967 Q968 H985V967-S983 WeakPolarHBondContact CA-O 3.49Å; Q968-S983 PolarHBondContact N-O 2.62Å; Q968-S983 PolarHBondContact O-N 2.68Å; S983-H985 WeakPolarHBondContact CB-NE2 3.43Å; S983-H985 PolarHBondContact OG-NE2 2.85Å
984I63.9Low42.3Very low31 Ų3184.4 Ų84.416%0.15953%0.527CS..EExtended strand (participates in β ladder)trans-106.1124.4178.5-54175000108.8L955 F965 G966 V967L955-I984 HydrophobicContact CB-CD1 3.79Å; L955-I984 HydrophobicContact CD1-CD1 4.38Å; F965-I984 HydrophobicContact CD2-CG2 4.02Å; G966-I984 WeakPolarHBondContact O-CA 3.36Å; V967-I984 HydrophobicContact CG2-CG1 4.44Å
985H56.3Low42.7Very low103 Ų10385 Ų8548%0.47753%0.526SS..EExtended strand (participates in β ladder)trans-129.3147.6-178.7-59.8-68000112F965 G966 S983F965-H985 CarbonylContact C-O 3.52Å; F965-H985 WeakPolarHBondContact CA-O 3.48Å; G966-H985 PolarHBondContact N-O 2.84Å; G966-H985 PolarHBondContact O-N 3.34Å; S983-H985 WeakPolarHBondContact CB-NE2 3.43Å; S983-H985 PolarHBondContact OG-NE2 2.85Å
986H49.6Very low43.3Very low94 Ų9482.7 Ų82.744%0.43551%0.51SS..EExtended strand (participates in β ladder)trans-74.7126.5176.7-172.1-74.4000110.7
987L46.9Very low43.7Very low87 Ų8782 Ų8246%0.45549%0.49SS..PPolyproline II helixtrans-83.2136.2167.8-91.986.2000109.2E964 F965E964-L987 HydrophobicContact CB-CB 4.45Å; E964-L987 PolarHBondContact O-N 2.96Å; F965-L987 VanDerWaalsContact C-CD1 3.41Å
988G38.2Very low43.8Very low55 Ų5581.6 Ų81.657%0.56748%0.48SS*.PPolyproline II helixtrans-55.8162.7-178.800000114.2T990G988-T990 PolarHBondContact O-N 3.26Å; G988-T990 PolarHBondContact O-OG1 2.9Å
989N36Very low43.9Very low131 Ų13177.8 Ų77.870%0.70147%0.465SS*.SBendtrans-54.972.3-168-66.29.8000117.3
990T35.2Very low44Very low93 Ų9378 Ų7857%0.57146%0.459SS*.SBendtrans-94.1-3.7175.834.50000114.8E964 G988E964-T990 PolarHBondContact OE2-OG1 2.79Å; G988-T990 PolarHBondContact O-N 3.26Å; G988-T990 PolarHBondContact O-OG1 2.9Å
991G40.1Very low43.7Very low46 Ų4678 Ų7847%0.47446%0.461SS..  trans-134.720.3-171.600000118.6
992A32.8Very low43Very low26 Ų2682 Ų8222%0.21547%0.467CS..  trans-67.2137.3-175.500000113.9E996 R997A992-E996 HydrophobicContact CB-CB 4.36Å; A992-R997 HydrophobicContact CB-CG 4.14Å; A992-R997 PolarHBondContact O-NE 3.19Å
993T41.6Very low42.1Very low66 Ų6687 Ų8741%0.40549%0.493SS..  trans-66.9158.717661.90000112S995 E996 R997T993-S995 PolarHBondContact O-N 3.42Å; T993-E996 PolarHBondContact N-OE2 2.96Å; T993-E996 PolarHBondContact O-N 3.26Å; T993-E996 VanDerWaalsContact O-N 3.15Å; T993-E996 WeakPolarHBondContact OG1-CG 3.47Å; T993-E996 PolarHBondContact OG1-OE2 3.47Å; T993-R997 PolarHBondContact O-N 3.1Å; T993-R997 VanDerWaalsContact O-N 3.08Å
994K36.2Very low41.1Very low199 Ų19992.4 Ų92.487%0.86551%0.512SS*.Hα-helixtrans-55.1-33.7179-102.2-176.9177.11790113A998K994-A998 PolarHBondContact O-N 3.36Å
995S35.9Very low39.9Very low98 Ų9893.8 Ų93.869%0.68553%0.525SS*.Hα-helixtrans-67.6-43.6178.3-174.90000112.1T993 A998 G999T993-S995 PolarHBondContact O-N 3.42Å; S995-A998 WeakPolarHBondContact O-CB 3.46Å; S995-A998 PolarHBondContact O-N 2.89Å; S995-G999 PolarHBondContact O-N 3.03Å; S995-G999 VanDerWaalsContact O-N 3.15Å
996E38.4Very low39.2Very low100 Ų10093.6 Ų93.647%0.46753%0.527SS..Hα-helixtrans-71.3-35179.3-68.3169136.400112.2A992 T993 A998 G999 I1000A992-E996 HydrophobicContact CB-CB 4.36Å; T993-E996 PolarHBondContact N-OE2 2.96Å; T993-E996 PolarHBondContact O-N 3.26Å; T993-E996 VanDerWaalsContact O-N 3.15Å; T993-E996 WeakPolarHBondContact OG1-CG 3.47Å; T993-E996 PolarHBondContact OG1-OE2 3.47Å; E996-A998 VanDerWaalsContact C-N 3.31Å; E996-A998 PolarHBondContact O-N 2.67Å; E996-G999 PolarHBondContact O-N 3.33Å; E996-I1000 VanDerWaalsContact O-CG1 3.32Å; E996-I1000 WeakPolarHBondContact O-CG1 3.39Å; E996-I1000 PolarHBondContact O-N 3.4Å
997R38.8Very low38.7Very low147 Ų14796.1 Ų96.156%0.55554%0.541SS*.Hα-helixtrans-65-35.1172.5-70.3-175.4-162.6-170-0.3111.8A992 T993 S1001A992-R997 HydrophobicContact CB-CG 4.14Å; A992-R997 PolarHBondContact O-NE 3.19Å; T993-R997 PolarHBondContact O-N 3.1Å; T993-R997 VanDerWaalsContact O-N 3.08Å; R997-S1001 WeakPolarHBondContact O-CB 3.49Å; R997-S1001 PolarHBondContact O-N 3.48Å; R997-S1001 PolarHBondContact O-OG 2.78Å
998A39.8Very low38.3Very low60 Ų60100.7 Ų100.750%0.49656%0.557SS.*Hα-helixtrans-66.7-41.8175.500000111.6K994 S995 E996 S1001 K1002K994-A998 PolarHBondContact O-N 3.36Å; S995-A998 WeakPolarHBondContact O-CB 3.46Å; S995-A998 PolarHBondContact O-N 2.89Å; E996-A998 VanDerWaalsContact C-N 3.31Å; E996-A998 PolarHBondContact O-N 2.67Å; A998-S1001 PolarHBondContact O-N 3.04Å; A998-K1002 VanDerWaalsContact O-CB 3.31Å; A998-K1002 WeakPolarHBondContact O-CB 3.28Å; A998-K1002 PolarHBondContact O-N 3.38Å
999G38.3Very low38.1Very low39 Ų39106 Ų10640%0.40257%0.569SS.*Hα-helixtrans-62-44.6173.800000113.3S995 E996 K1002 L1003S995-G999 PolarHBondContact O-N 3.03Å; S995-G999 VanDerWaalsContact O-N 3.15Å; E996-G999 PolarHBondContact O-N 3.33Å; G999-K1002 PolarHBondContact O-N 3.42Å; G999-L1003 WeakPolarHBondContact O-CB 3.26Å; G999-L1003 PolarHBondContact O-N 3.21Å
1000I40.2Very low37.9Very low86 Ų86102.9 Ų102.944%0.44157%0.567SS.*Hα-helixtrans-69.1-36177.9-65.6166.2000111.3E996 L1003 K1004E996-I1000 VanDerWaalsContact O-CG1 3.32Å; E996-I1000 WeakPolarHBondContact O-CG1 3.39Å; E996-I1000 PolarHBondContact O-N 3.4Å; I1000-L1003 PolarHBondContact O-N 3.23Å; I1000-K1004 WeakPolarHBondContact O-CB 3.37Å; I1000-K1004 PolarHBondContact O-N 3.49Å
1001S37.8Very low37.7Very low77 Ų77104.8 Ų104.854%0.53858%0.579SS.*Hα-helixtrans-69-37.4177.5-56.90000111.4R997 A998 K1004 S1005R997-S1001 WeakPolarHBondContact O-CB 3.49Å; R997-S1001 PolarHBondContact O-N 3.48Å; R997-S1001 PolarHBondContact O-OG 2.78Å; A998-S1001 PolarHBondContact O-N 3.04Å; S1001-K1004 PolarHBondContact O-N 3.15Å; S1001-S1005 WeakPolarHBondContact O-CB 3.14Å; S1001-S1005 PolarHBondContact O-N 3.2Å; S1001-S1005 PolarHBondContact O-OG 3.18Å
1002K38.4Very low37.4Very low142 Ų142114.5 Ų114.562%0.61760%0.601SS**Hα-helixtrans-68-43.7172-162.8170.7-177.5-179.60111.5A998 G999 K1004 S1005 D1006A998-K1002 VanDerWaalsContact O-CB 3.31Å; A998-K1002 WeakPolarHBondContact O-CB 3.28Å; A998-K1002 PolarHBondContact O-N 3.38Å; G999-K1002 PolarHBondContact O-N 3.42Å; K1002-K1004 VanDerWaalsContact C-N 3.31Å; K1002-K1004 PolarHBondContact O-N 3.42Å; K1002-S1005 WeakPolarHBondContact CA-OG 3.49Å; K1002-S1005 PolarHBondContact O-N 3.15Å; K1002-S1005 PolarHBondContact O-OG 3.3Å; K1002-D1006 VanDerWaalsContact O-CB 3.26Å; K1002-D1006 WeakPolarHBondContact O-CB 3.33Å; K1002-D1006 PolarHBondContact O-N 3.35Å
1003L39.9Very low37.1Very low112 Ų112117.5 Ų117.559%0.58663%0.626SS**Hα-helixtrans-61.8-38.4172.4-124.8111.9000112.2G999 I1000 D1006 M1007G999-L1003 WeakPolarHBondContact O-CB 3.26Å; G999-L1003 PolarHBondContact O-N 3.21Å; I1000-L1003 PolarHBondContact O-N 3.23Å; L1003-D1006 PolarHBondContact O-N 3.33Å; L1003-M1007 HydrophobicContact CD2-SD 4.24Å; L1003-M1007 VanDerWaalsContact O-CB 3.28Å; L1003-M1007 WeakPolarHBondContact O-CB 3.47Å; L1003-M1007 WeakPolarHBondContact O-CG 3.34Å; L1003-M1007 PolarHBondContact O-N 2.92Å
1004K38Very low36.4Very low149 Ų149123.1 Ų123.165%0.64865%0.648SS**Hα-helixtrans-76.4-27.4-180-155.3175-170178.60112.5I1000 S1001 K1002 K1008I1000-K1004 WeakPolarHBondContact O-CB 3.37Å; I1000-K1004 PolarHBondContact O-N 3.49Å; S1001-K1004 PolarHBondContact O-N 3.15Å; K1002-K1004 VanDerWaalsContact C-N 3.31Å; K1002-K1004 PolarHBondContact O-N 3.42Å; K1004-K1008 WeakPolarHBondContact O-CB 3.23Å; K1004-K1008 PolarHBondContact O-N 2.77Å
1005S39.8Very low35.9Very low60 Ų60118.6 Ų118.642%0.4264%0.641SS.*Hα-helixtrans-74.3-38.6168.159.70000111.7S1001 K1002 K1008 M1009S1001-S1005 WeakPolarHBondContact O-CB 3.14Å; S1001-S1005 PolarHBondContact O-N 3.2Å; S1001-S1005 PolarHBondContact O-OG 3.18Å; K1002-S1005 WeakPolarHBondContact CA-OG 3.49Å; K1002-S1005 PolarHBondContact O-N 3.15Å; K1002-S1005 PolarHBondContact O-OG 3.3Å; S1005-K1008 PolarHBondContact O-N 2.85Å; S1005-M1009 PolarHBondContact O-N 2.85Å
1006D40.5Very low35.4Very low98 Ų98119.7 Ų119.752%0.52464%0.644SS.*Hα-helixtrans-72.6-36.6-179.2-64.1-7.6000110.9K1002 L1003 K1008 M1009K1002-D1006 VanDerWaalsContact O-CB 3.26Å; K1002-D1006 WeakPolarHBondContact O-CB 3.33Å; K1002-D1006 PolarHBondContact O-N 3.35Å; L1003-D1006 PolarHBondContact O-N 3.33Å; D1006-K1008 VanDerWaalsContact C-N 3.3Å; D1006-K1008 PolarHBondContact O-N 2.9Å; D1006-M1009 PolarHBondContact O-N 2.8Å
1007M40.4Very low34.7Very low147 Ų147122 Ų12272%0.72466%0.659SS**THydrogen-bonded Turntrans-69.9-22.6171.1-72.3179.679.900113.4L1003L1003-M1007 HydrophobicContact CD2-SD 4.24Å; L1003-M1007 VanDerWaalsContact O-CB 3.28Å; L1003-M1007 WeakPolarHBondContact O-CB 3.47Å; L1003-M1007 WeakPolarHBondContact O-CG 3.34Å; L1003-M1007 PolarHBondContact O-N 2.92Å
1008K37Very low34.1Very low183 Ų183122 Ų12280%0.79668%0.675SS**THydrogen-bonded Turntrans-82.2-13173.7-94.3-174.1173.3-173.80113.6K1004 S1005 D1006K1004-K1008 WeakPolarHBondContact O-CB 3.23Å; K1004-K1008 PolarHBondContact O-N 2.77Å; S1005-K1008 PolarHBondContact O-N 2.85Å; D1006-K1008 VanDerWaalsContact C-N 3.3Å; D1006-K1008 PolarHBondContact O-N 2.9Å
1009M34.6Very low33.4Very low168 Ų168126.9 Ų126.983%0.82869%0.688SS**SBendtrans-94.4-0.5179.5-78.8-76.4-74.500113.8S1005 D1006S1005-M1009 PolarHBondContact O-N 2.85Å; D1006-M1009 PolarHBondContact O-N 2.8Å
1010G32.2Very low32.7Very low64 Ų64131.4 Ų131.466%0.6670%0.703SS**SBendtrans-95.9-0.7-174.500000117.4
1011V31.9Very low32Very low133 Ų133135.4 Ų135.481%0.80672%0.723SS**  trans-133.479.5-177-167.40000111.1
1012R32Very low31.3Very low250 Ų250139.9 Ų139.994%0.94374%0.736SS**  trans-152.792.5161.7-109.2-175.9179.8-174.6-0.7110.6
1013A27Very low30.7Very low90 Ų90139 Ų13974%0.74475%0.748SS**  trans-165.8126151.100000112
1014Q27.3Very low29.9Very low183 Ų183137.6 Ų137.686%0.85576%0.759SS**  trans69.1105.8154.8-60.9174.7-2.500117.9
1015S26.1Very low29.3Very low104 Ų104141.4 Ų141.473%0.72777%0.77SS**  cis94.5121.448.772.70000114.9
1016V25.6Very low28.5Very low122 Ų122149.1 Ų149.174%0.73979%0.791SS**  trans125.5107.7140-171.80000116.3
1017D23.9Very low27.6Very low147 Ų147155.3 Ų155.379%0.78681%0.807SS**  trans42.8128.2142.9-54-22.3000123.9
1018V26.1Very low26.8Very low148 Ų148157 Ų15790%0.89782%0.818SS**  -163.5138.5112.5168.60000109.5
1019E23.7Very low26.1Very low163 Ų163155.9 Ų155.976%0.76282%0.82SS**  trans-78.1163.3-175.3-59.2-179142.400116.6
1020N24.3Very low25.7Very low133 Ų133153.3 Ų153.371%0.71182%0.819SS**  trans77.3116.2146.2-69.1-31.1000121.7
1021I26.1Very low25.4Very low171 Ų171155.7 Ų155.788%0.87782%0.82SS**  -169.2128.8109.7-87.3154000109.7
1022E23.5Very low25Very low171 Ų171157.1 Ų157.180%0.79982%0.818SS**  trans-79.6148.7175.3-67.2178.4131.200113.5
1023S24.5Very low24.7Very low124 Ų124150.4 Ų150.487%0.86781%0.809SS**  146.3129118.7-81.70000113.9
1024G22.7Very low24.6Very low81 Ų81155.2 Ų155.284%0.83581%0.814SS**  trans150.468.4160.600000116.8
1025R25.7Very low24.5Very low229 Ų229154 Ų15486%0.86481%0.813SS**  trans-76.8138.2154.5-87.2-178.5169.5-177.6-2108.3
1026Y23.7Very low24.5Very low222 Ų222155.5 Ų155.587%0.87182%0.817SS**  -175.3129.6128.3-79-58.4000112.9
1027R22.2Very low24.5Very low229 Ų229155.1 Ų155.186%0.86482%0.818SS**  trans47.6116.7144-73.8-178.2179.7174.20.2121.9
1028L23.9Very low24.7Very low181 Ų181155.4 Ų155.495%0.94882%0.819SS**  trans-73.1132.6150.2-106.2120.7000110.4
1029L21.7Very low24.7Very low161 Ų161153.3 Ų153.384%0.84381%0.811SS**  trans-102.3140.9171-90.3146.9000109.8
1030S26Very low24.6Very low113 Ų113154.3 Ų154.379%0.7981%0.813SS**  trans-114127.1174.61710000108.5
1031V24.8Very low24.8Very low114 Ų114153.5 Ų153.569%0.69182%0.815SS**  trans-167.4133.3168.8175.90000104.1
1032E23.3Very low24.8Very low164 Ų164151.8 Ų151.877%0.76681%0.812SS**  cis-161.7156.61.3-106.4160.1-17400107.2
1033S26.7Very low25Very low108 Ų108148.9 Ų148.976%0.75581%0.811SS**  trans-76.9136.7171.446.40000112.6
1034F24.5Very low25.5Very low191 Ų191152.2 Ų152.284%0.83881%0.81SS**  trans-137.3139.4155.3-94.7-82.2000110.4
1035D24.8Very low26.1Very low158 Ų158152.6 Ų152.685%0.84579%0.793SS**  trans-61141.6-164.1-63.2-62.7000116.7
1036V26.9Very low27.1Very low135 Ų135148.5 Ų148.582%0.81879%0.793SS**  trans-122.3134.1161.5178.80000108.1
1037P25.5Very low28.5Very low115 Ų115145.9 Ų145.975%0.74778%0.782SS**  trans-69.8144.5-174.2-11.526.9000112.7S1039P1037-S1039 PolarHBondContact O-N 2.81Å
1038D28Very low30.4Very low152 Ų152141.8 Ų141.881%0.81377%0.772SS**SBendtrans-53.5107174.8-142.4-3.3000112.1
1039S25.4Very low32.8Very low104 Ų104134 Ų13473%0.72774%0.735SS**  trans-167.376155.549.50000110P1037 P1041P1037-S1039 PolarHBondContact O-N 2.81Å; S1039-P1041 WeakPolarHBondContact O-CD 3.19Å
1040F23.3Very low35.5Very low185 Ų185129.7 Ų129.781%0.81171%0.711SS**  trans-70.6116.5164-71.3-85.1000109V1042F1040-V1042 PolarHBondContact O-N 2.83Å
1041P27.5Very low38.3Very low116 Ų116128.9 Ų128.975%0.75369%0.691SS**  trans-66.2129.9151.229.6-29.3000106.5S1039 S1043S1039-P1041 WeakPolarHBondContact O-CD 3.19Å; P1041-S1043 PolarHBondContact O-N 2.83Å
1042V26.3Very low41.1Very low134 Ų134125.1 Ų125.181%0.81267%0.667SS**  trans-39.6116.4173.31760000109.3F1040 K1044F1040-V1042 PolarHBondContact O-N 2.83Å; V1042-K1044 PolarHBondContact O-N 2.85Å
1043S28.4Very low44Very low111 Ų111119.3 Ų119.378%0.77664%0.638SS**  trans-58.7101.9173.753.70000108.3P1041 D1045P1041-S1043 PolarHBondContact O-N 2.83Å; S1043-D1045 PolarHBondContact O-N 3.49Å
1044K33.4Very low46.7Very low193 Ų193117.9 Ų117.984%0.83962%0.616SS**  trans-57.1123.3168.7-81.2-179174.9177.90107.4V1042 T1046V1042-K1044 PolarHBondContact O-N 2.85Å; K1044-T1046 PolarHBondContact O-N 2.87Å
1045D35.7Very low49.7Very low90 Ų90109 Ų10948%0.48158%0.577SS.*  trans-52.8115.6174.8-166.3-17.9000108.3S1043 R1047 H1048S1043-D1045 PolarHBondContact O-N 3.49Å; D1045-R1047 PolarHBondContact O-N 3.13Å; D1045-R1047 IonicContact OD1-CZ 2.83Å; D1045-R1047 IonicContact OD1-NE 3.94Å; D1045-R1047 PolarHBondContact OD1-NE 2.87Å; D1045-R1047 IonicContact OD1-NH2 3.55Å; D1045-R1047 PolarHBondContact OD1-NH2 3.46Å; D1045-R1047 IonicContact OD2-CZ 3.34Å; D1045-R1047 IonicContact OD2-NE 2.6Å; D1045-R1047 IonicContact OD2-NH2 3.6Å; D1045-R1047 PolarHBondContact OD2-NH2 3.36Å; D1045-H1048 PolarHBondContact O-N 3.38Å
1046T46.3Very low52.6Low142 Ų142106.1 Ų106.187%0.87155%0.554SS**THydrogen-bonded Turntrans-64.22.5-174.9440000113.8K1044K1044-T1046 PolarHBondContact O-N 2.87Å
1047R54.4Low55.3Low167 Ų167100 Ų10063%0.6352%0.517SS*.THydrogen-bonded Turntrans-99.2-10.4179.9-64.7175.6-68.7177.24.5113.9D1045D1045-R1047 PolarHBondContact O-N 3.13Å; D1045-R1047 IonicContact OD1-CZ 2.83Å; D1045-R1047 IonicContact OD1-NE 3.94Å; D1045-R1047 PolarHBondContact OD1-NE 2.87Å; D1045-R1047 IonicContact OD1-NH2 3.55Å; D1045-R1047 PolarHBondContact OD1-NH2 3.46Å; D1045-R1047 IonicContact OD2-CZ 3.34Å; D1045-R1047 IonicContact OD2-NE 2.6Å; D1045-R1047 IonicContact OD2-NH2 3.6Å; D1045-R1047 PolarHBondContact OD2-NH2 3.36Å
1048H62.2Low58.3Low143 Ų14395.3 Ų95.366%0.66249%0.486SS*.THydrogen-bonded Turntrans-73130.3178.2-16754.3000111D1045 D1187D1045-H1048 PolarHBondContact O-N 3.38Å; H1048-D1187 IonicContact CE1-OD2 3.57Å; H1048-D1187 IonicContact CG-OD2 3.57Å; H1048-D1187 IonicContact ND1-OD2 2.81Å; H1048-D1187 PolarHBondContact ND1-OD2 2.92Å; H1048-D1187 VanDerWaalsContact ND1-OD2 3.14Å
1049G73.3Confident61.1Low17 Ų1788.1 Ų88.118%0.17545%0.447CS..THydrogen-bonded Turntrans90-4.8-177.700000115R1053 D1187G1049-R1053 WeakPolarHBondContact O-CB 3.2Å; G1049-R1053 PolarHBondContact O-N 3.18Å; G1049-D1187 VanDerWaalsContact CA-CG 3.5Å; G1049-D1187 WeakPolarHBondContact CA-OD1 3.47Å; G1049-D1187 PolarHBondContact N-OD1 2.85Å; G1049-D1187 VanDerWaalsContact N-OD1 3.11Å; G1049-D1187 PolarHBondContact N-OD2 2.83Å
1050Q79.8Confident63.9Low72 Ų7283.2 Ų83.234%0.33641%0.413SS..Hα-helixtrans-66.3-42.7-174.4-169.3-177.631.300112.4E964 R1054 D1187E964-Q1050 PolarHBondContact OE1-NE2 2.98Å; Q1050-R1054 PolarHBondContact O-N 2.92Å; Q1050-D1187 PolarHBondContact N-OD1 3.41Å
1051W84.7Confident66.9Low95 Ų9574.5 Ų74.536%0.3638%0.375SS..Hα-helixtrans-80.7-34.3-178.6-69.4105.7000111.8R1053 R1054 R1055 Y1186 D1187 A1189 P1190W1051-R1053 VanDerWaalsContact C-N 3.31Å; W1051-R1053 PolarHBondContact O-N 3.28Å; W1051-R1054 HydrophobicContact CE3-CB 4.4Å; W1051-R1054 HydrophobicContact CE3-CG 4.48Å; W1051-R1054 PolarHBondContact O-N 2.95Å; W1051-R1055 WeakPolarHBondContact O-CG 3.4Å; W1051-R1055 PolarHBondContact O-N 3.01Å; W1051-Y1186 CarbonylContact C-O 3.53Å; W1051-D1187 WeakPolarHBondContact CB-O 3.4Å; W1051-D1187 PolarHBondContact N-OD1 2.93Å; W1051-D1187 VanDerWaalsContact N-OD1 3.15Å; W1051-A1189 HydrophobicContact CD2-CB 4.39Å; W1051-A1189 HydrophobicContact CZ2-CB 3.98Å; W1051-P1190 VanDerWaalsContact CE3-CD 3.4Å; W1051-P1190 HydrophobicContact CE3-CG 3.99Å; W1051-P1190 VanDerWaalsContact CH2-CD 3.48Å; W1051-P1190 HydrophobicContact CH2-CG 4.14Å; W1051-P1190 HydrophobicContact CZ3-CG 3.69Å
1052L83.8Confident69.8Low35 Ų3569 Ų6918%0.18334%0.339CS..Hα-helixtrans-58.7-47171172.162.2000110.3R1054 R1055 R1056 E1119 Y1186 D1187L1052-R1054 PolarHBondContact O-N 2.92Å; L1052-R1055 PolarHBondContact O-N 3.48Å; L1052-R1056 HydrophobicContact CD1-CG 4.4Å; L1052-R1056 WeakPolarHBondContact O-CG 3.47Å; L1052-R1056 PolarHBondContact O-N 3.2Å; L1052-E1119 HydrophobicContact CD1-CB 4Å; L1052-E1119 HydrophobicContact CD1-CG 4.16Å; L1052-Y1186 VanDerWaalsContact CA-O 3.23Å; L1052-Y1186 WeakPolarHBondContact CA-O 3.49Å; L1052-Y1186 HydrophobicContact CD1-CG 4.31Å; L1052-Y1186 PolarHBondContact N-O 2.62Å; L1052-D1187 HydrophobicContact CB-CB 4.07Å; L1052-D1187 PolarHBondContact N-OD1 3.4Å; L1052-D1187 VanDerWaalsContact N-OD1 3.13Å
1053R82.3Confident72.8Confident42 Ų4264.8 Ų64.816%0.15831%0.308CS..Hα-helixtrans-56.9-49.6173.7-178.2-178.1177.7-90.3-2.6111.6E928 G1049 W1051 R1055 R1056 L1057E928-R1053 VanDerWaalsContact CD-NH2 3.32Å; E928-R1053 WeakPolarHBondContact OE1-CG 3.42Å; E928-R1053 IonicContact OE1-CZ 3.91Å; E928-R1053 IonicContact OE1-NE 3.14Å; E928-R1053 PolarHBondContact OE1-NE 3.41Å; E928-R1053 IonicContact OE1-NH2 3.73Å; E928-R1053 IonicContact OE2-CZ 2.65Å; E928-R1053 IonicContact OE2-NE 3.89Å; E928-R1053 PolarHBondContact OE2-NE 3.15Å; E928-R1053 IonicContact OE2-NH2 3.98Å; E928-R1053 PolarHBondContact OE2-NH2 2.83Å; G1049-R1053 WeakPolarHBondContact O-CB 3.2Å; G1049-R1053 PolarHBondContact O-N 3.18Å; W1051-R1053 VanDerWaalsContact C-N 3.31Å; W1051-R1053 PolarHBondContact O-N 3.28Å; R1053-R1055 VanDerWaalsContact C-N 3.35Å; R1053-R1055 PolarHBondContact O-N 3.36Å; R1053-R1056 PolarHBondContact O-N 3.02Å; R1053-L1057 HydrophobicContact CG-CD1 4.14Å; R1053-L1057 WeakPolarHBondContact O-CG 3.1Å; R1053-L1057 PolarHBondContact O-N 3.17Å
1054R83.9Confident75.6Confident79 Ų7960 Ų6030%0.29827%0.274SS..Hα-helixtrans-56.9-46178.4-173.475.3-168.2-161.31112.1G962 Q1050 W1051 L1052 L1057 D1058G962-R1054 PolarHBondContact O-NH1 3.37Å; Q1050-R1054 PolarHBondContact O-N 2.92Å; W1051-R1054 HydrophobicContact CE3-CB 4.4Å; W1051-R1054 HydrophobicContact CE3-CG 4.48Å; W1051-R1054 PolarHBondContact O-N 2.95Å; L1052-R1054 PolarHBondContact O-N 2.92Å; R1054-L1057 PolarHBondContact O-N 2.96Å; R1054-D1058 IonicContact CZ-OD2 2.68Å; R1054-D1058 IonicContact NE-OD1 2.95Å; R1054-D1058 IonicContact NE-OD2 2.77Å; R1054-D1058 PolarHBondContact NE-OD2 3.37Å; R1054-D1058 IonicContact NH2-OD2 3.92Å; R1054-D1058 WeakPolarHBondContact O-CB 3.21Å; R1054-D1058 PolarHBondContact O-N 3.4Å
1055R88Confident78.2Confident4 Ų453.4 Ų53.42%0.01525%0.251CS..Hα-helixtrans-65.9-38.2178.6-72.1-172.9-180101.22.5112.5W1051 L1052 R1053 G1059 E1119 Q1122 E1126 L1185 Y1186 S1188 S1196W1051-R1055 WeakPolarHBondContact O-CG 3.4Å; W1051-R1055 PolarHBondContact O-N 3.01Å; L1052-R1055 PolarHBondContact O-N 3.48Å; R1053-R1055 VanDerWaalsContact C-N 3.35Å; R1053-R1055 PolarHBondContact O-N 3.36Å; R1055-G1059 WeakPolarHBondContact O-CA 3.36Å; R1055-G1059 PolarHBondContact O-N 3.14Å; R1055-E1119 HydrophobicContact CB-CB 4.32Å; R1055-Q1122 HydrophobicContact CB-CB 4.01Å; R1055-Q1122 HydrophobicContact CB-CG 4.12Å; R1055-Q1122 HydrophobicContact CG-CB 4.23Å; R1055-Q1122 HydrophobicContact CG-CG 3.94Å; R1055-E1126 IonicContact CZ-OE1 3.26Å; R1055-E1126 IonicContact NE-OE1 2.74Å; R1055-E1126 PolarHBondContact NE-OE1 3.33Å; R1055-E1126 IonicContact NE-OE2 3.45Å; R1055-E1126 IonicContact NH2-OE1 3.51Å; R1055-E1126 PolarHBondContact NH2-OE1 3.3Å; R1055-E1126 IonicContact NH2-OE2 3.13Å; R1055-E1126 PolarHBondContact NH2-OE2 2.97Å; R1055-L1185 PolarHBondContact NH1-O 3.22Å; R1055-Y1186 VanDerWaalsContact NH1-C 3.28Å; R1055-Y1186 PolarHBondContact NH1-O 3.15Å; R1055-S1188 PolarHBondContact NH1-O 3.08Å; R1055-S1188 PolarHBondContact NH2-O 2.96Å; R1055-S1196 PolarHBondContact NH2-OG 2.81Å
1056R85.3Confident80.5Confident98 Ų9854.5 Ų54.537%0.3726%0.261SS..Hα-helixtrans-61.2-46.1173.1-77.2-179.4172.11681.4112L1052 R1053 A1060 P1118 E1119L1052-R1056 HydrophobicContact CD1-CG 4.4Å; L1052-R1056 WeakPolarHBondContact O-CG 3.47Å; L1052-R1056 PolarHBondContact O-N 3.2Å; R1053-R1056 PolarHBondContact O-N 3.02Å; R1056-A1060 WeakPolarHBondContact O-CB 3.41Å; R1056-A1060 PolarHBondContact O-N 2.85Å; R1056-P1118 WeakPolarHBondContact O-CB 3.49Å; R1056-E1119 HydrophobicContact CG-CB 4.05Å; R1056-E1119 WeakPolarHBondContact CG-OE2 3.35Å; R1056-E1119 IonicContact CZ-OE1 3.98Å; R1056-E1119 VanDerWaalsContact CZ-OE1 3.27Å; R1056-E1119 IonicContact NE-OE1 2.73Å; R1056-E1119 PolarHBondContact NE-OE1 3.29Å; R1056-E1119 IonicContact NE-OE2 3.47Å; R1056-E1119 IonicContact NH2-OE1 3.52Å; R1056-E1119 PolarHBondContact NH2-OE1 2.99Å
1057L84.4Confident82.4Confident6 Ų648.5 Ų48.53%0.03123%0.228CC..Hα-helixtrans-62-56.2177.3-69.9170.5000111.5V924 I959 R1053 R1054 G1059 A1060 L1061V924-L1057 HydrophobicContact CG1-CD2 3.32Å; I959-L1057 HydrophobicContact CG2-CD2 4.06Å; R1053-L1057 HydrophobicContact CG-CD1 4.14Å; R1053-L1057 WeakPolarHBondContact O-CG 3.1Å; R1053-L1057 PolarHBondContact O-N 3.17Å; R1054-L1057 PolarHBondContact O-N 2.96Å; L1057-G1059 VanDerWaalsContact C-N 3.32Å; L1057-G1059 PolarHBondContact O-N 2.91Å; L1057-A1060 PolarHBondContact O-N 3.28Å; L1057-L1061 VanDerWaalsContact O-CB 3.31Å; L1057-L1061 WeakPolarHBondContact O-CB 3.47Å; L1057-L1061 VanDerWaalsContact O-CG 3.23Å; L1057-L1061 WeakPolarHBondContact O-CG 3.43Å; L1057-L1061 PolarHBondContact O-N 3.38Å
1058D87.1Confident84.2Confident17 Ų1740.6 Ų40.69%0.09120%0.198CC..Hα-helixtrans-65.4-37.1-176-71-29.5000111.1R1054 N1062 R1063R1054-D1058 IonicContact CZ-OD2 2.68Å; R1054-D1058 IonicContact NE-OD1 2.95Å; R1054-D1058 IonicContact NE-OD2 2.77Å; R1054-D1058 PolarHBondContact NE-OD2 3.37Å; R1054-D1058 IonicContact NH2-OD2 3.92Å; R1054-D1058 WeakPolarHBondContact O-CB 3.21Å; R1054-D1058 PolarHBondContact O-N 3.4Å; D1058-N1062 PolarHBondContact O-N 3.09Å; D1058-N1062 VanDerWaalsContact O-N 3.12Å; D1058-R1063 HydrophobicContact CB-CB 4.25Å; D1058-R1063 PolarHBondContact O-N 3.12Å; D1058-R1063 WeakPolarHBondContact OD1-CD 3.46Å; D1058-R1063 IonicContact OD1-CZ 3.62Å; D1058-R1063 IonicContact OD1-NE 3.19Å; D1058-R1063 IonicContact OD1-NH1 3.42Å; D1058-R1063 PolarHBondContact OD1-NH1 3Å
1059G87.3Confident85.6Confident0 Ų034 Ų340%017%0.167CC..Hα-helixtrans-69-37.3175.600000114.3R1055 L1057 N1062R1055-G1059 WeakPolarHBondContact O-CA 3.36Å; R1055-G1059 PolarHBondContact O-N 3.14Å; L1057-G1059 VanDerWaalsContact C-N 3.32Å; L1057-G1059 PolarHBondContact O-N 2.91Å; G1059-N1062 PolarHBondContact O-N 3.38Å; G1059-N1062 PolarHBondContact O-OD1 3.28Å
1060A84.7Confident86.4Confident1 Ų138.3 Ų38.31%0.00818%0.183CC..Hα-helixtrans-73.9-32.2177.400000111.9L920 V924 R1056 L1057 N1062 P1118L920-A1060 HydrophobicContact CB-CB 4.21Å; V924-A1060 HydrophobicContact CG2-CB 3.56Å; R1056-A1060 WeakPolarHBondContact O-CB 3.41Å; R1056-A1060 PolarHBondContact O-N 2.85Å; L1057-A1060 PolarHBondContact O-N 3.28Å; A1060-N1062 VanDerWaalsContact C-N 3.3Å; A1060-P1118 HydrophobicContact CB-CB 4.16Å; A1060-P1118 HydrophobicContact CB-CG 4.15Å
1061L86.1Confident87Confident3 Ų339.1 Ų39.12%0.01619%0.185CC..THydrogen-bonded Turntrans-83.8-1.1176.1-66176.8000113.3M913 I921 I959 L960 L1057 R1063M913-L1061 HydrophobicContact CE-CB 3.95Å; M913-L1061 HydrophobicContact CE-CD2 4.13Å; M913-L1061 WeakPolarHBondContact CE-O 3.18Å; M913-L1061 WeakPolarHBondContact CG-O 3.44Å; I921-L1061 HydrophobicContact CD1-CD2 4.15Å; I921-L1061 HydrophobicContact CG1-CD2 3.82Å; I959-L1061 HydrophobicContact CG2-CD1 4.38Å; L960-L1061 HydrophobicContact CD2-CD2 3.86Å; L1057-L1061 VanDerWaalsContact O-CB 3.31Å; L1057-L1061 WeakPolarHBondContact O-CB 3.47Å; L1057-L1061 VanDerWaalsContact O-CG 3.23Å; L1057-L1061 WeakPolarHBondContact O-CG 3.43Å; L1057-L1061 PolarHBondContact O-N 3.38Å; L1061-R1063 PolarHBondContact O-N 2.81Å
1062N88.9Confident87.4Confident1 Ų134.7 Ų34.71%0.00517%0.168CC..THydrogen-bonded Turntrans52.239-174.3-69.9-26.6000113.1R915 R917 D1058 G1059 A1060 N1113 R1121R915-N1062 PolarHBondContact O-ND2 3.46Å; R917-N1062 WeakPolarHBondContact CD-ND2 3.48Å; D1058-N1062 PolarHBondContact O-N 3.09Å; D1058-N1062 VanDerWaalsContact O-N 3.12Å; G1059-N1062 PolarHBondContact O-N 3.38Å; G1059-N1062 PolarHBondContact O-OD1 3.28Å; A1060-N1062 VanDerWaalsContact C-N 3.3Å; N1062-N1113 VanDerWaalsContact CG-OD1 3.25Å; N1062-N1113 PolarHBondContact ND2-OD1 3.42Å; N1062-N1113 PolarHBondContact OD1-OD1 3.38Å; N1062-R1121 PolarHBondContact OD1-NE 3.32Å; N1062-R1121 PolarHBondContact OD1-NH2 2.99Å; N1062-R1121 VanDerWaalsContact OD1-NH2 3.11Å
1063R87.9Confident87.9Confident45 Ų4534 Ų3417%0.1716%0.163CC..  trans-85.2124.6-177.8-172.4-180-70.5156.2-10.7110.5M913 L960 D1058 L1061M913-R1063 HydrophobicContact CG-CB 4.42Å; L960-R1063 PolarHBondContact O-NH2 2.7Å; D1058-R1063 HydrophobicContact CB-CB 4.25Å; D1058-R1063 PolarHBondContact O-N 3.12Å; D1058-R1063 WeakPolarHBondContact OD1-CD 3.46Å; D1058-R1063 IonicContact OD1-CZ 3.62Å; D1058-R1063 IonicContact OD1-NE 3.19Å; D1058-R1063 IonicContact OD1-NH1 3.42Å; D1058-R1063 PolarHBondContact OD1-NH1 3Å; L1061-R1063 PolarHBondContact O-N 2.81Å
1064V89Confident88.3Confident9 Ų936.4 Ų36.46%0.05518%0.175CC..  trans-121.7159.6174.6-58.50000111.6E912 F1068 Y1069 V1125E912-V1064 HydrophobicContact CB-CG2 4.02Å; E912-V1064 WeakPolarHBondContact CB-O 3.21Å; V1064-F1068 HydrophobicContact CB-CB 4.02Å; V1064-F1068 HydrophobicContact CB-CD1 3.91Å; V1064-F1068 HydrophobicContact CB-CG 3.96Å; V1064-F1068 HydrophobicContact CG1-CD1 4.01Å; V1064-F1068 HydrophobicContact CG1-CE1 4.2Å; V1064-F1068 HydrophobicContact CG1-CG 4.45Å; V1064-F1068 HydrophobicContact CG2-CB 3.92Å; V1064-F1068 HydrophobicContact CG2-CD1 3.94Å; V1064-F1068 HydrophobicContact CG2-CG 4.18Å; V1064-Y1069 HydrophobicContact CG2-CD2 4.32Å; V1064-Y1069 HydrophobicContact CG2-CE2 3.41Å; V1064-Y1069 VanDerWaalsContact CG2-CE2 3.41Å; V1064-V1125 HydrophobicContact CG1-CG1 4.04Å; V1064-V1125 HydrophobicContact CG1-CG2 4.34Å
1065P86.4Confident88.7Confident55 Ų5532.8 Ų32.836%0.35716%0.161SC..  trans-63.5149.8174.2-21.733.6000112.8G1067 F1068 L1129P1065-G1067 PolarHBondContact O-N 3.07Å; P1065-F1068 WeakPolarHBondContact O-CB 3.45Å; P1065-F1068 PolarHBondContact O-N 3.16Å; P1065-L1129 HydrophobicContact CG-CD1 4.43Å; P1065-L1129 HydrophobicContact CG-CD2 4.18Å
1066V85.2Confident88.9Confident114 Ų11432.6 Ų32.669%0.69116%0.16SC*.THydrogen-bonded Turntrans-56.6131.9176.3-179.30000111.1E912 F1068E912-V1066 HydrophobicContact CG-CB 4.45Å; E912-V1066 HydrophobicContact CG-CG2 3.99Å; V1066-F1068 VanDerWaalsContact C-N 3.27Å; V1066-F1068 PolarHBondContact O-N 3.5Å
1067G86.3Confident89.1Confident16 Ų1632.6 Ų32.617%0.16517%0.165CC..THydrogen-bonded Turntrans76.78.6-178.500000114.4P1065 Y1069 Q1070 K1071P1065-G1067 PolarHBondContact O-N 3.07Å; G1067-Y1069 PolarHBondContact O-N 3.02Å; G1067-Q1070 PolarHBondContact O-N 3.15Å; G1067-K1071 WeakPolarHBondContact O-CG 3.32Å; G1067-K1071 PolarHBondContact O-N 3.4Å; G1067-K1071 VanDerWaalsContact O-N 3.16Å
1068F91.1Very high89.2Confident1 Ų134.2 Ų34.20%0.00417%0.171CC..Hα-helixtrans-53.7-51.5177.3172-101.4000111.9V1064 P1065 V1066 Q1070 K1071 V1072 V1108 L1112 V1125 I1128 L1129V1064-F1068 HydrophobicContact CB-CB 4.02Å; V1064-F1068 HydrophobicContact CB-CD1 3.91Å; V1064-F1068 HydrophobicContact CB-CG 3.96Å; V1064-F1068 HydrophobicContact CG1-CD1 4.01Å; V1064-F1068 HydrophobicContact CG1-CE1 4.2Å; V1064-F1068 HydrophobicContact CG1-CG 4.45Å; V1064-F1068 HydrophobicContact CG2-CB 3.92Å; V1064-F1068 HydrophobicContact CG2-CD1 3.94Å; V1064-F1068 HydrophobicContact CG2-CG 4.18Å; P1065-F1068 WeakPolarHBondContact O-CB 3.45Å; P1065-F1068 PolarHBondContact O-N 3.16Å; V1066-F1068 VanDerWaalsContact C-N 3.27Å; V1066-F1068 PolarHBondContact O-N 3.5Å; F1068-Q1070 PolarHBondContact O-N 3.06Å; F1068-K1071 WeakPolarHBondContact O-CB 3.31Å; F1068-K1071 PolarHBondContact O-N 2.92Å; F1068-K1071 VanDerWaalsContact O-N 3.13Å; F1068-V1072 HydrophobicContact CD1-CG2 4.18Å; F1068-V1072 HydrophobicContact CD2-CG2 4.37Å; F1068-V1072 HydrophobicContact CE1-CG2 3.8Å; F1068-V1072 HydrophobicContact CE2-CG2 4.02Å; F1068-V1072 HydrophobicContact CG-CG2 4.45Å; F1068-V1072 HydrophobicContact CZ-CG2 3.71Å; F1068-V1072 WeakPolarHBondContact O-CG2 2.99Å; F1068-V1072 PolarHBondContact O-N 2.96Å; F1068-V1108 HydrophobicContact CE1-CG1 4.21Å; F1068-L1112 HydrophobicContact CE1-CD1 4.16Å; F1068-L1112 HydrophobicContact CZ-CD1 4.38Å; F1068-V1125 HydrophobicContact CD2-CG1 4.46Å; F1068-V1125 HydrophobicContact CE2-CG1 3.98Å; F1068-V1125 HydrophobicContact CZ-CG1 4.24Å; F1068-I1128 HydrophobicContact CE2-CB 4.02Å; F1068-I1128 HydrophobicContact CE2-CG2 3.64Å; F1068-I1128 HydrophobicContact CZ-CB 4.14Å; F1068-I1128 HydrophobicContact CZ-CD1 4.39Å; F1068-I1128 HydrophobicContact CZ-CG2 3.71Å; F1068-L1129 HydrophobicContact CD2-CD1 4.48Å
1069Y91.9Very high89.3Confident5 Ų533.7 Ų33.72%0.0217%0.169CC..Hα-helixtrans-62.8-43.3-177.3-56.1-77.1000112.7F914 V1064 G1067 K1071 V1072 W1073 F1104 S1105 V1108 E1109F914-Y1069 HydrophobicContact CD2-CD2 4.45Å; F914-Y1069 AromaticContact CD2-CE2 3.66Å; F914-Y1069 HydrophobicContact CD2-CE2 3.66Å; F914-Y1069 AromaticContact CD2-CZ 3.83Å; F914-Y1069 AromaticContact CE2-CD2 3.82Å; F914-Y1069 HydrophobicContact CE2-CD2 3.82Å; F914-Y1069 AromaticContact CE2-CE2 3.36Å; F914-Y1069 HydrophobicContact CE2-CE2 3.36Å; V1064-Y1069 HydrophobicContact CG2-CD2 4.32Å; V1064-Y1069 HydrophobicContact CG2-CE2 3.41Å; V1064-Y1069 VanDerWaalsContact CG2-CE2 3.41Å; G1067-Y1069 PolarHBondContact O-N 3.02Å; Y1069-K1071 PolarHBondContact O-N 2.91Å; Y1069-V1072 WeakPolarHBondContact O-CA 2.95Å; Y1069-V1072 WeakPolarHBondContact O-CB 3.44Å; Y1069-V1072 PolarHBondContact O-N 3.16Å; Y1069-W1073 PolarHBondContact O-N 3.39Å; Y1069-F1104 VanDerWaalsContact O-CE1 3.28Å; Y1069-F1104 WeakPolarHBondContact O-CE1 3.36Å; Y1069-S1105 WeakPolarHBondContact CB-OG 3.22Å; Y1069-S1105 WeakPolarHBondContact CE1-O 3.32Å; Y1069-V1108 HydrophobicContact CD1-CB 3.88Å; Y1069-V1108 HydrophobicContact CD1-CG1 4.05Å; Y1069-V1108 HydrophobicContact CD1-CG2 4.26Å; Y1069-V1108 HydrophobicContact CE1-CB 4.1Å; Y1069-V1108 HydrophobicContact CE1-CG1 4.15Å; Y1069-E1109 HydrophobicContact CE1-CG 3.98Å; Y1069-E1109 WeakPolarHBondContact OH-CG 3.36Å; Y1069-E1109 PolarHBondContact OH-OE1 2.67Å
1070Q91.3Very high89.4Confident107 Ų10739 Ų3950%0.519%0.194SC..Hα-helixtrans-58.3-38.7175.7-67.5173.5-6.700111.8G1067 F1068 W1073 K1074 P1099G1067-Q1070 PolarHBondContact O-N 3.15Å; F1068-Q1070 PolarHBondContact O-N 3.06Å; Q1070-W1073 WeakPolarHBondContact O-CB 3.46Å; Q1070-W1073 PolarHBondContact O-N 3.05Å; Q1070-K1074 WeakPolarHBondContact O-CG 3.45Å; Q1070-K1074 PolarHBondContact O-N 3.47Å; Q1070-K1074 VanDerWaalsContact O-N 3.14Å; Q1070-P1099 HydrophobicContact CG-CB 4.4Å; Q1070-P1099 WeakPolarHBondContact CG-O 3.45Å
1071K92Very high89.7Confident89 Ų8939 Ų3939%0.38719%0.193SC..Hα-helixtrans-69.5-38.8175.1-69.9177.6179.8-178.60112.4G1067 F1068 Y1069 W1073 K1074 I1075 T1132G1067-K1071 WeakPolarHBondContact O-CG 3.32Å; G1067-K1071 PolarHBondContact O-N 3.4Å; G1067-K1071 VanDerWaalsContact O-N 3.16Å; F1068-K1071 WeakPolarHBondContact O-CB 3.31Å; F1068-K1071 PolarHBondContact O-N 2.92Å; F1068-K1071 VanDerWaalsContact O-N 3.13Å; Y1069-K1071 PolarHBondContact O-N 2.91Å; K1071-W1073 VanDerWaalsContact C-N 3.29Å; K1071-W1073 PolarHBondContact O-N 3.49Å; K1071-K1074 PolarHBondContact O-N 3.22Å; K1071-I1075 PolarHBondContact O-N 3.34Å; K1071-I1075 VanDerWaalsContact O-N 3.09Å; K1071-T1132 HydrophobicContact CB-CG2 3.8Å
1072V93.4Very high90.1Very high1 Ų138.9 Ų38.91%0.00619%0.193CC..Hα-helixtrans-60.2-41.3172.4175.80000110.8F1068 Y1069 K1074 I1075 L1076 L1082 L1089 F1104 V1108 I1128 T1132F1068-V1072 HydrophobicContact CD1-CG2 4.18Å; F1068-V1072 HydrophobicContact CD2-CG2 4.37Å; F1068-V1072 HydrophobicContact CE1-CG2 3.8Å; F1068-V1072 HydrophobicContact CE2-CG2 4.02Å; F1068-V1072 HydrophobicContact CG-CG2 4.45Å; F1068-V1072 HydrophobicContact CZ-CG2 3.71Å; F1068-V1072 WeakPolarHBondContact O-CG2 2.99Å; F1068-V1072 PolarHBondContact O-N 2.96Å; Y1069-V1072 WeakPolarHBondContact O-CA 2.95Å; Y1069-V1072 WeakPolarHBondContact O-CB 3.44Å; Y1069-V1072 PolarHBondContact O-N 3.16Å; V1072-K1074 PolarHBondContact O-N 3.24Å; V1072-I1075 WeakPolarHBondContact O-CG2 3.31Å; V1072-I1075 PolarHBondContact O-N 2.96Å; V1072-L1076 HydrophobicContact CG1-CD1 4.16Å; V1072-L1076 HydrophobicContact CG1-CG 4.47Å; V1072-L1076 WeakPolarHBondContact O-CG 3.21Å; V1072-L1076 PolarHBondContact O-N 2.91Å; V1072-L1082 HydrophobicContact CG1-CD1 4.01Å; V1072-L1089 HydrophobicContact CG1-CD2 4.2Å; V1072-F1104 HydrophobicContact CG1-CZ 4.18Å; V1072-V1108 HydrophobicContact CG1-CG1 4.24Å; V1072-V1108 HydrophobicContact CG1-CG2 4.02Å; V1072-I1128 HydrophobicContact CG2-CG2 3.58Å; V1072-T1132 HydrophobicContact CG2-CG2 4.48Å
1073W93.9Very high90.3Very high22 Ų2239 Ų398%0.08319%0.194CC..Hα-helixtrans-60.1-46.6175.6-171.697.6000111.6Y1069 Q1070 K1071 I1075 L1076 Q1077 T1094 M1097 P1099 F1104Y1069-W1073 PolarHBondContact O-N 3.39Å; Q1070-W1073 WeakPolarHBondContact O-CB 3.46Å; Q1070-W1073 PolarHBondContact O-N 3.05Å; K1071-W1073 VanDerWaalsContact C-N 3.29Å; K1071-W1073 PolarHBondContact O-N 3.49Å; W1073-I1075 PolarHBondContact O-N 2.66Å; W1073-L1076 PolarHBondContact O-N 2.7Å; W1073-Q1077 HydrophobicContact CD2-CG 4.48Å; W1073-Q1077 HydrophobicContact CE3-CG 4.12Å; W1073-Q1077 HydrophobicContact CH2-CG 4.12Å; W1073-Q1077 HydrophobicContact CZ2-CG 4.45Å; W1073-Q1077 HydrophobicContact CZ3-CG 3.95Å; W1073-Q1077 PolarHBondContact O-N 3.42Å; W1073-T1094 HydrophobicContact CD2-CG2 4.38Å; W1073-T1094 HydrophobicContact CG-CG2 4.28Å; W1073-M1097 PolarHBondContact NE1-O 2.78Å; W1073-P1099 HydrophobicContact CB-CB 3.97Å; W1073-P1099 HydrophobicContact CD2-CB 3.72Å; W1073-P1099 HydrophobicContact CD2-CG 4.05Å; W1073-P1099 HydrophobicContact CE3-CB 3.9Å; W1073-P1099 HydrophobicContact CE3-CG 4.01Å; W1073-P1099 HydrophobicContact CG-CB 3.73Å; W1073-P1099 HydrophobicContact CH2-CG 4.47Å; W1073-P1099 HydrophobicContact CZ3-CG 4.2Å; W1073-F1104 HydrophobicContact CB-CD1 4.32Å; W1073-F1104 HydrophobicContact CB-CE1 3.66Å; W1073-F1104 HydrophobicContact CB-CE2 4.32Å; W1073-F1104 HydrophobicContact CB-CZ 3.65Å; W1073-F1104 AromaticContact CD1-CD2 3.84Å; W1073-F1104 AromaticContact CD1-CE2 3.72Å; W1073-F1104 AromaticContact CD1-CZ 3.93Å; W1073-F1104 HydrophobicContact CG-CE1 4.38Å; W1073-F1104 HydrophobicContact CG-CE2 4.39Å; W1073-F1104 HydrophobicContact CG-CZ 4.19Å
1074K91.2Very high90.5Very high92 Ų9237 Ų3740%0.419%0.186SC..Hα-helixtrans-61-42.3178.1-69.3179.7175.1-172.50113.1Q1070 K1071 V1072 Q1077 A1135 D1136Q1070-K1074 WeakPolarHBondContact O-CG 3.45Å; Q1070-K1074 PolarHBondContact O-N 3.47Å; Q1070-K1074 VanDerWaalsContact O-N 3.14Å; K1071-K1074 PolarHBondContact O-N 3.22Å; V1072-K1074 PolarHBondContact O-N 3.24Å; K1074-Q1077 WeakPolarHBondContact O-CB 3.33Å; K1074-Q1077 PolarHBondContact O-N 3.01Å; K1074-A1135 HydrophobicContact CB-CB 3.82Å; K1074-D1136 IonicContact NZ-OD1 3.34Å
1075I91Very high90.3Very high2 Ų240.7 Ų40.71%0.0120%0.203CC..Hα-helixtrans-70.8-33178.6-168.365.9000111.8K1071 V1072 W1073 Q1077 K1078 C1079 L1082 T1132 L1134 A1135 I1142K1071-I1075 PolarHBondContact O-N 3.34Å; K1071-I1075 VanDerWaalsContact O-N 3.09Å; V1072-I1075 WeakPolarHBondContact O-CG2 3.31Å; V1072-I1075 PolarHBondContact O-N 2.96Å; W1073-I1075 PolarHBondContact O-N 2.66Å; I1075-Q1077 PolarHBondContact O-N 3.39Å; I1075-K1078 PolarHBondContact O-N 2.72Å; I1075-C1079 PolarHBondContact O-N 3.13Å; I1075-C1079 PolarHBondContact O-SG 3.02Å; I1075-L1082 HydrophobicContact CG2-CD1 4.29Å; I1075-T1132 HydrophobicContact CG2-CG2 4.26Å; I1075-L1134 HydrophobicContact CD1-CB 4.1Å; I1075-A1135 HydrophobicContact CB-CB 4.35Å; I1075-I1142 HydrophobicContact CD1-CD1 3.56Å
1076L92Very high90.1Very high0 Ų041 Ų410%022%0.217CC..Hα-helixtrans-63.4-28.7173.5-78.8171.9000112.9V1072 W1073 K1078 C1079 L1082 L1089 S1091 T1094 F1104V1072-L1076 HydrophobicContact CG1-CD1 4.16Å; V1072-L1076 HydrophobicContact CG1-CG 4.47Å; V1072-L1076 WeakPolarHBondContact O-CG 3.21Å; V1072-L1076 PolarHBondContact O-N 2.91Å; W1073-L1076 PolarHBondContact O-N 2.7Å; L1076-K1078 PolarHBondContact O-N 3.37Å; L1076-C1079 VanDerWaalsContact O-O 3.07Å; L1076-L1082 HydrophobicContact CD2-CB 4.45Å; L1076-L1082 HydrophobicContact CD2-CD1 4.29Å; L1076-L1082 HydrophobicContact CD2-CG 3.82Å; L1076-L1082 HydrophobicContact CG-CD1 4.44Å; L1076-L1082 HydrophobicContact CG-CG 4.46Å; L1076-L1089 HydrophobicContact CD1-CD2 3.72Å; L1076-L1089 HydrophobicContact CD1-CG 3.86Å; L1076-L1089 HydrophobicContact CD2-CD2 4.4Å; L1076-L1089 HydrophobicContact CD2-CG 4.18Å; L1076-L1089 WeakPolarHBondContact CD2-O 3.47Å; L1076-S1091 WeakPolarHBondContact O-CB 3.49Å; L1076-T1094 HydrophobicContact CB-CG2 3.6Å; L1076-T1094 HydrophobicContact CD1-CG2 4.43Å; L1076-F1104 HydrophobicContact CD1-CE2 3.83Å; L1076-F1104 HydrophobicContact CD1-CZ 3.8Å
1077Q89.8Confident90.2Very high99 Ų9940 Ų4046%0.46320%0.203SC..THydrogen-bonded Turntrans-65.9-22.2172.3-63.5-171.5-67.500112.9W1073 K1074 I1075 T1094W1073-Q1077 HydrophobicContact CD2-CG 4.48Å; W1073-Q1077 HydrophobicContact CE3-CG 4.12Å; W1073-Q1077 HydrophobicContact CH2-CG 4.12Å; W1073-Q1077 HydrophobicContact CZ2-CG 4.45Å; W1073-Q1077 HydrophobicContact CZ3-CG 3.95Å; W1073-Q1077 PolarHBondContact O-N 3.42Å; K1074-Q1077 WeakPolarHBondContact O-CB 3.33Å; K1074-Q1077 PolarHBondContact O-N 3.01Å; I1075-Q1077 PolarHBondContact O-N 3.39Å; Q1077-T1094 HydrophobicContact CG-CG2 4.12Å
1078K87.6Confident90.4Very high39 Ų3942.3 Ų42.317%0.1721%0.214CC..THydrogen-bonded Turntrans-99.8-7.8-176.6-66.2-175.1170.4176.90113.6I1075 L1076 A1135 V1137 S1141 I1142I1075-K1078 PolarHBondContact O-N 2.72Å; L1076-K1078 PolarHBondContact O-N 3.37Å; K1078-A1135 PolarHBondContact NZ-O 3.37Å; K1078-V1137 PolarHBondContact NZ-O 3.25Å; K1078-S1141 CarbonylContact O-C 3.55Å; K1078-S1141 WeakPolarHBondContact O-CA 3.4Å; K1078-S1141 PolarHBondContact O-OG 3.5Å; K1078-I1142 HydrophobicContact CB-CD1 4.34Å; K1078-I1142 HydrophobicContact CB-CG1 4.46Å; K1078-I1142 PolarHBondContact O-N 2.92Å
1079C88.9Confident90.5Very high6 Ų642.3 Ų42.34%0.04121%0.214CC..SBendtrans-129.7173.2-18063.90000111.8I1075 L1076 G1081 S1091 I1142 V1146I1075-C1079 PolarHBondContact O-N 3.13Å; I1075-C1079 PolarHBondContact O-SG 3.02Å; L1076-C1079 VanDerWaalsContact O-O 3.07Å; C1079-G1081 VanDerWaalsContact C-N 3.33Å; C1079-S1091 WeakPolarHBondContact O-CB 3.32Å; C1079-S1091 PolarHBondContact O-OG 3.4Å; C1079-I1142 HydrophobicContact CB-CB 4.32Å; C1079-V1146 HydrophobicContact CB-CG2 4.14Å
1080H89Confident90.5Very high112 Ų11244.2 Ų44.252%0.51923%0.227SC..SBendtrans-78-22.2174.8-73.995.9000112.5S1091 G1143 S1144 I1145H1080-S1091 PolarHBondContact O-N 3.15Å; H1080-S1091 PolarHBondContact O-OG 3.01Å; H1080-G1143 PolarHBondContact CE1-O 2.86Å; H1080-G1143 PolarHBondContact ND1-O 2.93Å; H1080-S1144 PolarHBondContact N-O 3.34Å; H1080-S1144 VanDerWaalsContact N-O 3.09Å; H1080-S1144 PolarHBondContact ND1-N 3.34Å; H1080-I1145 HydrophobicContact CB-CG1 4.03Å
1081G91.8Very high90.4Very high0 Ų040.5 Ų40.50%021%0.213CC..EExtended strand (participates in β ladder)trans165.5169.3176.300000111.9C1079 L1089 I1145 V1146C1079-G1081 VanDerWaalsContact C-N 3.33Å; G1081-L1089 CarbonylContact C-O 3.22Å; G1081-L1089 WeakPolarHBondContact CA-O 3.38Å; G1081-I1145 WeakPolarHBondContact O-CA 3.49Å; G1081-V1146 PolarHBondContact O-N 3.26Å
1082L93.3Very high90.2Very high2 Ų238.9 Ų38.91%0.0121%0.213CC..EExtended strand (participates in β ladder)trans-106.1119.4171.7-59.6179000108.6V1072 I1075 L1076 V1088 L1089 V1146 V1148V1072-L1082 HydrophobicContact CG1-CD1 4.01Å; I1075-L1082 HydrophobicContact CG2-CD1 4.29Å; L1076-L1082 HydrophobicContact CD2-CB 4.45Å; L1076-L1082 HydrophobicContact CD2-CD1 4.29Å; L1076-L1082 HydrophobicContact CD2-CG 3.82Å; L1076-L1082 HydrophobicContact CG-CD1 4.44Å; L1076-L1082 HydrophobicContact CG-CG 4.46Å; L1082-V1088 WeakPolarHBondContact O-CA 3.42Å; L1082-L1089 HydrophobicContact CB-CB 4.41Å; L1082-L1089 PolarHBondContact N-O 3.49Å; L1082-L1089 PolarHBondContact O-N 3.27Å; L1082-V1146 HydrophobicContact CD2-CB 3.91Å; L1082-V1146 HydrophobicContact CD2-CG1 4.44Å; L1082-V1146 HydrophobicContact CD2-CG2 4.48Å; L1082-V1148 HydrophobicContact CB-CG2 4.44Å
1083S92.7Very high90Very high2 Ų239 Ų391%0.01421%0.213CC..EExtended strand (participates in β ladder)trans-87.5132.5170.11720000109.4F1087 V1146 H1147 V1148 E1149S1083-F1087 CarbonylContact C-O 3.52Å; S1083-F1087 WeakPolarHBondContact CA-O 3.43Å; S1083-V1146 PolarHBondContact N-O 3Å; S1083-H1147 WeakPolarHBondContact CB-ND1 3.48Å; S1083-H1147 PolarHBondContact OG-ND1 2.89Å; S1083-V1148 WeakPolarHBondContact O-CB 3.33Å; S1083-V1148 WeakPolarHBondContact O-CG2 3.4Å; S1083-V1148 PolarHBondContact O-N 2.74Å; S1083-E1149 PolarHBondContact OG-OE1 3.33Å
1084I91.9Very high89.8Confident3 Ų338.6 Ų38.62%0.01521%0.213CC..EExtended strand (participates in β ladder)trans-134.1112.8173.9-53.6179.3000106.4G1086 F1087 V1111 L1112 V1115 L1124 I1128 V1148I1084-G1086 VanDerWaalsContact C-N 3.27Å; I1084-G1086 PolarHBondContact O-N 3.22Å; I1084-F1087 PolarHBondContact N-O 3.06Å; I1084-F1087 PolarHBondContact O-N 2.88Å; I1084-V1111 HydrophobicContact CB-CG1 4Å; I1084-V1111 HydrophobicContact CD1-CG1 3.97Å; I1084-V1111 HydrophobicContact CG1-CG1 4.24Å; I1084-L1112 HydrophobicContact CD1-CD2 3.65Å; I1084-L1112 HydrophobicContact CD1-CG 4.05Å; I1084-V1115 HydrophobicContact CG2-CG2 4.05Å; I1084-L1124 HydrophobicContact CG2-CD1 4.02Å; I1084-I1128 HydrophobicContact CD1-CD1 3.81Å; I1084-V1148 HydrophobicContact CG1-CB 4.38Å; I1084-V1148 HydrophobicContact CG1-CG2 4.2Å
1085E85.8Confident89.6Confident88 Ų8840.8 Ų40.841%0.41122%0.219SC..THydrogen-bonded Turntrans51.344-178.6-68-60.9112.300113.2F1087 V1115 Y1120 E1149E1085-F1087 WeakPolarHBondContact O-CD2 3.39Å; E1085-F1087 PolarHBondContact O-N 3.06Å; E1085-V1115 HydrophobicContact CG-CG2 4.05Å; E1085-Y1120 HydrophobicContact CG-CE1 4.43Å; E1085-Y1120 PolarHBondContact OE1-OH 3.45Å; E1085-E1149 PolarHBondContact N-OE2 3.46Å
1086G82.3Confident89.3Confident62 Ų6243 Ų4364%0.63923%0.229SC*.THydrogen-bonded Turntrans78-4.4179.500000115.2I1084I1084-G1086 VanDerWaalsContact C-N 3.27Å; I1084-G1086 PolarHBondContact O-N 3.22Å
1087F87.9Confident89.3Confident91 Ų9143.5 Ų43.540%0.39923%0.232SC..EExtended strand (participates in β ladder)trans-96.1126.6173-66.3-82.9000111S1083 I1084 E1085 V1111 R1114S1083-F1087 CarbonylContact C-O 3.52Å; S1083-F1087 WeakPolarHBondContact CA-O 3.43Å; I1084-F1087 PolarHBondContact N-O 3.06Å; I1084-F1087 PolarHBondContact O-N 2.88Å; E1085-F1087 WeakPolarHBondContact O-CD2 3.39Å; E1085-F1087 PolarHBondContact O-N 3.06Å; F1087-V1111 HydrophobicContact CB-CG1 4.31Å; F1087-R1114 VanDerWaalsContact CB-NH1 3.27Å; F1087-R1114 VanDerWaalsContact CE1-CZ 3.47Å
1088V90.4Very high89.3Confident66 Ų6639 Ų3940%0.421%0.211SC..EExtended strand (participates in β ladder)trans-96.4125.1-177.9-176.60000109.7L1082 P1090 I1145L1082-V1088 WeakPolarHBondContact O-CA 3.42Å; V1088-P1090 VanDerWaalsContact O-CD 3.28Å; V1088-P1090 WeakPolarHBondContact O-CD 3.42Å; V1088-I1145 HydrophobicContact CG1-CD1 4.19Å; V1088-I1145 HydrophobicContact CG1-CG2 4.31Å; V1088-I1145 HydrophobicContact CG2-CD1 4.27Å; V1088-I1145 HydrophobicContact CG2-CG2 4.33Å
1089L92.7Very high89.4Confident1 Ų139.2 Ų39.21%0.00522%0.216CC..EExtended strand (participates in β ladder)trans-86.1100.7160.8178.161.8000107.8V1072 L1076 G1081 L1082 T1093 H1107 V1108 V1111V1072-L1089 HydrophobicContact CG1-CD2 4.2Å; L1076-L1089 HydrophobicContact CD1-CD2 3.72Å; L1076-L1089 HydrophobicContact CD1-CG 3.86Å; L1076-L1089 HydrophobicContact CD2-CD2 4.4Å; L1076-L1089 HydrophobicContact CD2-CG 4.18Å; L1076-L1089 WeakPolarHBondContact CD2-O 3.47Å; G1081-L1089 CarbonylContact C-O 3.22Å; G1081-L1089 WeakPolarHBondContact CA-O 3.38Å; L1082-L1089 HydrophobicContact CB-CB 4.41Å; L1082-L1089 PolarHBondContact N-O 3.49Å; L1082-L1089 PolarHBondContact O-N 3.27Å; L1089-T1093 HydrophobicContact CD1-CG2 4.49Å; L1089-H1107 WeakPolarHBondContact CD1-CD2 2.91Å; L1089-V1108 HydrophobicContact CD2-CG2 3.93Å; L1089-V1111 HydrophobicContact CB-CG2 4.38Å; L1089-V1111 HydrophobicContact CD1-CG2 4.42Å
1090P91.9Very high89.3Confident45 Ų4539.9 Ų39.929%0.29222%0.224SC..EExtended strand (participates in β ladder)trans-77.1152.6-17032.4-36000111.5V1088 S1092 T1093V1088-P1090 VanDerWaalsContact O-CD 3.28Å; V1088-P1090 WeakPolarHBondContact O-CD 3.42Å; P1090-S1092 WeakPolarHBondContact CB-OG 3.5Å; P1090-S1092 WeakPolarHBondContact CG-OG 3.2Å; P1090-S1092 PolarHBondContact O-N 3.38Å; P1090-T1093 WeakPolarHBondContact O-CB 3.43Å; P1090-T1093 PolarHBondContact O-N 3.23Å; P1090-T1093 VanDerWaalsContact O-N 3.14Å; P1090-T1093 PolarHBondContact O-OG1 3.04Å
1091S89.7Confident89.3Confident29 Ų2934.8 Ų34.820%0.20320%0.201CC..THydrogen-bonded Turntrans-65.2-20.6174.464.80000113.3L1076 C1079 H1080 T1093 T1094L1076-S1091 WeakPolarHBondContact O-CB 3.49Å; C1079-S1091 WeakPolarHBondContact O-CB 3.32Å; C1079-S1091 PolarHBondContact O-OG 3.4Å; H1080-S1091 PolarHBondContact O-N 3.15Å; H1080-S1091 PolarHBondContact O-OG 3.01Å; S1091-T1093 PolarHBondContact O-N 2.92Å; S1091-T1093 VanDerWaalsContact O-N 3.14Å; S1091-T1094 WeakPolarHBondContact O-CB 3.46Å; S1091-T1094 PolarHBondContact O-N 3.18Å; S1091-T1094 PolarHBondContact O-OG1 2.98Å
1092S88.1Confident89.1Confident55 Ų5535.5 Ų35.539%0.38521%0.205SC..THydrogen-bonded Turntrans-56.2-26.617258.20000112.9P1090 T1094 R1095 E1096P1090-S1092 WeakPolarHBondContact CB-OG 3.5Å; P1090-S1092 WeakPolarHBondContact CG-OG 3.2Å; P1090-S1092 PolarHBondContact O-N 3.38Å; S1092-T1094 PolarHBondContact O-N 3.36Å; S1092-R1095 WeakPolarHBondContact O-CA 3.23Å; S1092-R1095 VanDerWaalsContact O-CB 3.27Å; S1092-R1095 WeakPolarHBondContact O-CB 3.26Å; S1092-R1095 PolarHBondContact O-N 2.85Å; S1092-E1096 PolarHBondContact O-N 3.27Å
1093T88.6Confident88.8Confident3 Ų338 Ų382%0.01822%0.215CC..Hα-helixtrans-56.4-32.5174.2-41.90000112L1089 P1090 S1091 R1095 E1096 M1097 F1104L1089-T1093 HydrophobicContact CD1-CG2 4.49Å; P1090-T1093 WeakPolarHBondContact O-CB 3.43Å; P1090-T1093 PolarHBondContact O-N 3.23Å; P1090-T1093 VanDerWaalsContact O-N 3.14Å; P1090-T1093 PolarHBondContact O-OG1 3.04Å; S1091-T1093 PolarHBondContact O-N 2.92Å; S1091-T1093 VanDerWaalsContact O-N 3.14Å; T1093-R1095 PolarHBondContact O-N 3Å; T1093-E1096 PolarHBondContact O-N 3.32Å; T1093-M1097 HydrophobicContact CG2-CE 4.31Å; T1093-M1097 HydrophobicContact CG2-SD 4.07Å; T1093-M1097 PolarHBondContact O-N 3.43Å; T1093-F1104 HydrophobicContact CG2-CD2 3.83Å; T1093-F1104 HydrophobicContact CG2-CE2 4.02Å
1094T89.4Confident88.7Confident13 Ų1338 Ų388%0.0822%0.215CC..Hα-helixtrans-72.6-18.6177.468.10000113.3R298 W1073 L1076 Q1077 S1091 S1092 M1097R298-T1094 PolarHBondContact NH1-O 3.23Å; R298-T1094 PolarHBondContact NH2-O 3.01Å; W1073-T1094 HydrophobicContact CD2-CG2 4.38Å; W1073-T1094 HydrophobicContact CG-CG2 4.28Å; L1076-T1094 HydrophobicContact CB-CG2 3.6Å; L1076-T1094 HydrophobicContact CD1-CG2 4.43Å; Q1077-T1094 HydrophobicContact CG-CG2 4.12Å; S1091-T1094 WeakPolarHBondContact O-CB 3.46Å; S1091-T1094 PolarHBondContact O-N 3.18Å; S1091-T1094 PolarHBondContact O-OG1 2.98Å; S1092-T1094 PolarHBondContact O-N 3.36Å; T1094-M1097 VanDerWaalsContact O-O 3.12Å
1095R87.1Confident88.6Confident138 Ų13838.3 Ų38.352%0.52122%0.217SC..Hα-helixtrans-80.5-37.6172.9-55.9-177.5-179.4-179.1-1.1110.9R298 K319 S1092 T1093R298-R1095 PolarHBondContact NH1-O 2.88Å; K319-R1095 HydrophobicContact CB-CB 3.91Å; K319-R1095 HydrophobicContact CB-CG 4.46Å; K319-R1095 WeakPolarHBondContact CB-O 3.11Å; K319-R1095 HydrophobicContact CG-CB 4.42Å; K319-R1095 HydrophobicContact CG-CG 4.5Å; K319-R1095 PolarHBondContact N-O 3.35Å; S1092-R1095 WeakPolarHBondContact O-CA 3.23Å; S1092-R1095 VanDerWaalsContact O-CB 3.27Å; S1092-R1095 WeakPolarHBondContact O-CB 3.26Å; S1092-R1095 PolarHBondContact O-N 2.85Å; T1093-R1095 PolarHBondContact O-N 3Å
1096E85.3Confident88.6Confident50 Ų5035.2 Ų35.223%0.23421%0.205CC..Hα-helixtrans-71-45.2174.8-77.7179.5-168.200112.8S315 L318 S1092 T1093S315-E1096 VanDerWaalsContact CB-CD 3.44Å; S315-E1096 WeakPolarHBondContact CB-OE1 3.47Å; S315-E1096 WeakPolarHBondContact O-CA 3.28Å; S315-E1096 VanDerWaalsContact O-CG 3.28Å; S315-E1096 WeakPolarHBondContact O-CG 3.41Å; S315-E1096 PolarHBondContact OG-OE1 3.43Å; L318-E1096 VanDerWaalsContact CD1-O 3.31Å; L318-E1096 WeakPolarHBondContact CD1-O 3.25Å; S1092-E1096 PolarHBondContact O-N 3.27Å; T1093-E1096 PolarHBondContact O-N 3.32Å
1097M90.6Very high88.9Confident10 Ų1035.6 Ų35.65%0.04919%0.19CC..  trans-123.9151.2-163.6-56.6177.9-161.600112.4R298 W1073 T1093 T1094 E1101 K1103 F1104R298-M1097 PolarHBondContact NH1-O 3.1Å; W1073-M1097 PolarHBondContact NE1-O 2.78Å; T1093-M1097 HydrophobicContact CG2-CE 4.31Å; T1093-M1097 HydrophobicContact CG2-SD 4.07Å; T1093-M1097 PolarHBondContact O-N 3.43Å; T1094-M1097 VanDerWaalsContact O-O 3.12Å; M1097-E1101 VanDerWaalsContact CA-OE2 3.26Å; M1097-E1101 WeakPolarHBondContact CA-OE2 3.34Å; M1097-E1101 WeakPolarHBondContact CB-OE2 3.26Å; M1097-K1103 HydrophobicContact CE-CD 3.97Å; M1097-K1103 HydrophobicContact CE-CG 3.84Å; M1097-K1103 HydrophobicContact SD-CB 4.15Å; M1097-K1103 HydrophobicContact SD-CD 4.27Å; M1097-K1103 HydrophobicContact SD-CG 3.85Å; M1097-F1104 HydrophobicContact CB-CB 4.02Å; M1097-F1104 HydrophobicContact CB-CD2 4.4Å; M1097-F1104 VanDerWaalsContact SD-CA 3.52Å; M1097-F1104 HydrophobicContact SD-CB 3.96Å; M1097-F1104 HydrophobicContact SD-CD2 4.48Å; M1097-F1104 PolarHBondContact SD-N 3.21Å
1098T90.2Very high89Confident5 Ų531.3 Ų31.33%0.03117%0.171CC..  trans-91.4160.1173.674.30000111.2E254 G1100 E1101E254-T1098 WeakPolarHBondContact OE1-CB 3.4Å; E254-T1098 PolarHBondContact OE1-OG1 3.31Å; T1098-G1100 PolarHBondContact O-N 2.91Å; T1098-E1101 PolarHBondContact N-OE1 3.45Å; T1098-E1101 PolarHBondContact N-OE2 2.8Å; T1098-E1101 PolarHBondContact O-N 3.34Å; T1098-E1101 WeakPolarHBondContact OG1-CG 3.29Å; T1098-E1101 PolarHBondContact OG1-OE1 3.14Å
1099P89.4Confident88.9Confident42 Ų4228.3 Ų28.327%0.27315%0.153SC..THydrogen-bonded Turntrans-67.8-18.9-17825.5-33.5000114.1Q1070 W1073Q1070-P1099 HydrophobicContact CG-CB 4.4Å; Q1070-P1099 WeakPolarHBondContact CG-O 3.45Å; W1073-P1099 HydrophobicContact CB-CB 3.97Å; W1073-P1099 HydrophobicContact CD2-CB 3.72Å; W1073-P1099 HydrophobicContact CD2-CG 4.05Å; W1073-P1099 HydrophobicContact CE3-CB 3.9Å; W1073-P1099 HydrophobicContact CE3-CG 4.01Å; W1073-P1099 HydrophobicContact CG-CB 3.73Å; W1073-P1099 HydrophobicContact CH2-CG 4.47Å; W1073-P1099 HydrophobicContact CZ3-CG 4.2Å
1100G87.2Confident88.7Confident21 Ų2130.6 Ų30.622%0.21617%0.167CC..THydrogen-bonded Turntrans-88.7-6178.600000114.6E254 T1098E254-G1100 WeakPolarHBondContact OE2-CA 3.27Å; T1098-G1100 PolarHBondContact O-N 2.91Å
1101E89.8Confident88.5Confident4 Ų428.6 Ų28.62%0.01915%0.153CC..  trans-77.3134-178.8-78.5168.1-160.400112.8K189 S252 E254 M1097 T1098 K1103 F1104 S1105K189-E1101 IonicContact NZ-OE1 3.81Å; K189-E1101 PolarHBondContact NZ-OE1 3.24Å; S252-E1101 VanDerWaalsContact O-CG 3.28Å; S252-E1101 WeakPolarHBondContact O-CG 3.49Å; E254-E1101 HydrophobicContact CB-CG 4.44Å; M1097-E1101 VanDerWaalsContact CA-OE2 3.26Å; M1097-E1101 WeakPolarHBondContact CA-OE2 3.34Å; M1097-E1101 WeakPolarHBondContact CB-OE2 3.26Å; T1098-E1101 PolarHBondContact N-OE1 3.45Å; T1098-E1101 PolarHBondContact N-OE2 2.8Å; T1098-E1101 PolarHBondContact O-N 3.34Å; T1098-E1101 WeakPolarHBondContact OG1-CG 3.29Å; T1098-E1101 PolarHBondContact OG1-OE1 3.14Å; E1101-K1103 PolarHBondContact O-N 3.2Å; E1101-F1104 HydrophobicContact CB-CB 4.49Å; E1101-F1104 PolarHBondContact O-N 3.01Å; E1101-S1105 PolarHBondContact O-N 3.09Å
1102I85.9Confident88.5Confident16 Ų1627.2 Ų27.28%0.08214%0.144CC..Hα-helixtrans-64.4-34.1171.7-66.4176.5000110.1I251 Q849 F914 F1104 S1105 V1106I251-I1102 PolarHBondContact O-N 2.77Å; Q849-I1102 HydrophobicContact CB-CD1 4.23Å; Q849-I1102 HydrophobicContact CG-CD1 4.11Å; F914-I1102 HydrophobicContact CD1-CG2 4.3Å; F914-I1102 HydrophobicContact CE1-CG1 4.37Å; F914-I1102 HydrophobicContact CE1-CG2 4.39Å; I1102-F1104 PolarHBondContact O-N 2.68Å; I1102-S1105 PolarHBondContact O-N 3.31Å; I1102-S1105 VanDerWaalsContact O-N 3.09Å; I1102-V1106 HydrophobicContact CG2-CG2 3.8Å; I1102-V1106 WeakPolarHBondContact O-CB 3.04Å; I1102-V1106 WeakPolarHBondContact O-CG2 3.23Å; I1102-V1106 PolarHBondContact O-N 2.95Å
1103K87.3Confident88.4Confident55 Ų5525.1 Ų25.124%0.23913%0.128CC..Hα-helixtrans-52.7-42.6175.7-167.2178.2-177176.50111.7D188 I251 M1097 E1101 H1107D188-K1103 IonicContact OD2-NZ 3.22Å; D188-K1103 PolarHBondContact OD2-NZ 3.06Å; I251-K1103 WeakPolarHBondContact O-CB 3.46Å; I251-K1103 PolarHBondContact O-N 3.3Å; M1097-K1103 HydrophobicContact CE-CD 3.97Å; M1097-K1103 HydrophobicContact CE-CG 3.84Å; M1097-K1103 HydrophobicContact SD-CB 4.15Å; M1097-K1103 HydrophobicContact SD-CD 4.27Å; M1097-K1103 HydrophobicContact SD-CG 3.85Å; E1101-K1103 PolarHBondContact O-N 3.2Å; K1103-H1107 WeakPolarHBondContact O-CB 3.45Å; K1103-H1107 PolarHBondContact O-N 3.24Å
1104F90.9Very high88.2Confident0 Ų030.5 Ų30.50%015%0.148CC..Hα-helixtrans-64.6-50.7175.1177.6-96.6000111.5Y1069 V1072 W1073 L1076 T1093 M1097 E1101 I1102 V1106 H1107 V1108Y1069-F1104 VanDerWaalsContact O-CE1 3.28Å; Y1069-F1104 WeakPolarHBondContact O-CE1 3.36Å; V1072-F1104 HydrophobicContact CG1-CZ 4.18Å; W1073-F1104 HydrophobicContact CB-CD1 4.32Å; W1073-F1104 HydrophobicContact CB-CE1 3.66Å; W1073-F1104 HydrophobicContact CB-CE2 4.32Å; W1073-F1104 HydrophobicContact CB-CZ 3.65Å; W1073-F1104 AromaticContact CD1-CD2 3.84Å; W1073-F1104 AromaticContact CD1-CE2 3.72Å; W1073-F1104 AromaticContact CD1-CZ 3.93Å; W1073-F1104 HydrophobicContact CG-CE1 4.38Å; W1073-F1104 HydrophobicContact CG-CE2 4.39Å; W1073-F1104 HydrophobicContact CG-CZ 4.19Å; L1076-F1104 HydrophobicContact CD1-CE2 3.83Å; L1076-F1104 HydrophobicContact CD1-CZ 3.8Å; T1093-F1104 HydrophobicContact CG2-CD2 3.83Å; T1093-F1104 HydrophobicContact CG2-CE2 4.02Å; M1097-F1104 HydrophobicContact CB-CB 4.02Å; M1097-F1104 HydrophobicContact CB-CD2 4.4Å; M1097-F1104 VanDerWaalsContact SD-CA 3.52Å; M1097-F1104 HydrophobicContact SD-CB 3.96Å; M1097-F1104 HydrophobicContact SD-CD2 4.48Å; M1097-F1104 PolarHBondContact SD-N 3.21Å; E1101-F1104 HydrophobicContact CB-CB 4.49Å; E1101-F1104 PolarHBondContact O-N 3.01Å; I1102-F1104 PolarHBondContact O-N 2.68Å; F1104-V1106 VanDerWaalsContact C-N 3.32Å; F1104-V1106 PolarHBondContact O-N 3.33Å; F1104-H1107 WeakPolarHBondContact O-CB 3.48Å; F1104-H1107 PolarHBondContact O-N 2.96Å; F1104-V1108 HydrophobicContact CD1-CG2 4.16Å; F1104-V1108 HydrophobicContact CE1-CG2 3.58Å; F1104-V1108 HydrophobicContact CE2-CG2 4.2Å; F1104-V1108 HydrophobicContact CZ-CG2 3.62Å; F1104-V1108 WeakPolarHBondContact O-CG2 3.45Å; F1104-V1108 PolarHBondContact O-N 2.74Å
1105S89.2Confident88Confident10 Ų1030 Ų307%0.0715%0.145CC..Hα-helixtrans-57.7-43.2179.4-56.60000112.6Y1069 E1101 I1102 H1107 V1108 E1109Y1069-S1105 WeakPolarHBondContact CB-OG 3.22Å; Y1069-S1105 WeakPolarHBondContact CE1-O 3.32Å; E1101-S1105 PolarHBondContact O-N 3.09Å; I1102-S1105 PolarHBondContact O-N 3.31Å; I1102-S1105 VanDerWaalsContact O-N 3.09Å; S1105-H1107 VanDerWaalsContact C-N 3.32Å; S1105-H1107 PolarHBondContact O-N 3.48Å; S1105-V1108 PolarHBondContact O-N 3.11Å; S1105-E1109 WeakPolarHBondContact O-CB 3.38Å; S1105-E1109 PolarHBondContact O-N 3.21Å
1106V86.3Confident87.7Confident24 Ų2425.7 Ų25.715%0.14514%0.135CC..Hα-helixtrans-64.4-36.1175.71710000111.5I1102 F1104 E1109 T1110I1102-V1106 HydrophobicContact CG2-CG2 3.8Å; I1102-V1106 WeakPolarHBondContact O-CB 3.04Å; I1102-V1106 WeakPolarHBondContact O-CG2 3.23Å; I1102-V1106 PolarHBondContact O-N 2.95Å; F1104-V1106 VanDerWaalsContact C-N 3.32Å; F1104-V1106 PolarHBondContact O-N 3.33Å; V1106-E1109 PolarHBondContact O-N 3.49Å; V1106-T1110 WeakPolarHBondContact O-CB 3.34Å; V1106-T1110 PolarHBondContact O-N 3.04Å; V1106-T1110 PolarHBondContact O-OG1 3.34Å
1107H88.5Confident87.8Confident69 Ų6925.4 Ų25.432%0.31913%0.134SC..Hα-helixtrans-67.2-45.3176.9-169.262.5000111.7L1089 K1103 F1104 S1105 E1109 T1110 V1111L1089-H1107 WeakPolarHBondContact CD1-CD2 2.91Å; K1103-H1107 WeakPolarHBondContact O-CB 3.45Å; K1103-H1107 PolarHBondContact O-N 3.24Å; F1104-H1107 WeakPolarHBondContact O-CB 3.48Å; F1104-H1107 PolarHBondContact O-N 2.96Å; S1105-H1107 VanDerWaalsContact C-N 3.32Å; S1105-H1107 PolarHBondContact O-N 3.48Å; H1107-E1109 VanDerWaalsContact C-N 3.31Å; H1107-E1109 PolarHBondContact O-N 3.13Å; H1107-T1110 PolarHBondContact O-N 3.15Å; H1107-T1110 VanDerWaalsContact O-N 3.16Å; H1107-V1111 PolarHBondContact O-N 3.18Å
1108V91.1Very high87.6Confident2 Ų226 Ų261%0.01214%0.138CC..Hα-helixtrans-56.9-46.6172.3179.80000110.6F1068 Y1069 V1072 L1089 F1104 S1105 T1110 V1111 L1112F1068-V1108 HydrophobicContact CE1-CG1 4.21Å; Y1069-V1108 HydrophobicContact CD1-CB 3.88Å; Y1069-V1108 HydrophobicContact CD1-CG1 4.05Å; Y1069-V1108 HydrophobicContact CD1-CG2 4.26Å; Y1069-V1108 HydrophobicContact CE1-CB 4.1Å; Y1069-V1108 HydrophobicContact CE1-CG1 4.15Å; V1072-V1108 HydrophobicContact CG1-CG1 4.24Å; V1072-V1108 HydrophobicContact CG1-CG2 4.02Å; L1089-V1108 HydrophobicContact CD2-CG2 3.93Å; F1104-V1108 HydrophobicContact CD1-CG2 4.16Å; F1104-V1108 HydrophobicContact CE1-CG2 3.58Å; F1104-V1108 HydrophobicContact CE2-CG2 4.2Å; F1104-V1108 HydrophobicContact CZ-CG2 3.62Å; F1104-V1108 WeakPolarHBondContact O-CG2 3.45Å; F1104-V1108 PolarHBondContact O-N 2.74Å; S1105-V1108 PolarHBondContact O-N 3.11Å; V1108-T1110 VanDerWaalsContact C-N 3.33Å; V1108-T1110 PolarHBondContact O-N 3.49Å; V1108-V1111 PolarHBondContact O-N 3.43Å; V1108-L1112 HydrophobicContact CG1-CD1 3.95Å; V1108-L1112 PolarHBondContact O-N 3.18Å
1109E88.8Confident87.6Confident3 Ų326.6 Ų26.61%0.01414%0.141CC..Hα-helixtrans-60.7-40.6176.4-93.9-58.3132.300112.9Y1069 S1105 V1106 H1107 V1111 L1112 N1113 R1121Y1069-E1109 HydrophobicContact CE1-CG 3.98Å; Y1069-E1109 WeakPolarHBondContact OH-CG 3.36Å; Y1069-E1109 PolarHBondContact OH-OE1 2.67Å; S1105-E1109 WeakPolarHBondContact O-CB 3.38Å; S1105-E1109 PolarHBondContact O-N 3.21Å; V1106-E1109 PolarHBondContact O-N 3.49Å; H1107-E1109 VanDerWaalsContact C-N 3.31Å; H1107-E1109 PolarHBondContact O-N 3.13Å; E1109-V1111 VanDerWaalsContact C-N 3.27Å; E1109-V1111 PolarHBondContact O-N 3.03Å; E1109-L1112 PolarHBondContact O-N 2.99Å; E1109-N1113 VanDerWaalsContact O-CB 3.27Å; E1109-N1113 WeakPolarHBondContact O-CB 3.3Å; E1109-N1113 VanDerWaalsContact O-CG 3.24Å; E1109-N1113 PolarHBondContact O-N 3.33Å; E1109-N1113 PolarHBondContact O-ND2 3.04Å; E1109-N1113 PolarHBondContact OE2-ND2 3.11Å; E1109-R1121 IonicContact OE1-CZ 3.29Å; E1109-R1121 IonicContact OE1-NH2 3.17Å; E1109-R1121 PolarHBondContact OE1-NH2 2.68Å; E1109-R1121 IonicContact OE2-CZ 3.37Å; E1109-R1121 IonicContact OE2-NH2 3.81Å; E1109-R1121 PolarHBondContact OE2-NH2 2.77Å
1110T87.1Confident87.7Confident48 Ų4824.8 Ų24.829%0.29413%0.129SC..Hα-helixtrans-61.9-38.9179.5-61.20000111.1V1106 H1107 V1108V1106-T1110 WeakPolarHBondContact O-CB 3.34Å; V1106-T1110 PolarHBondContact O-N 3.04Å; V1106-T1110 PolarHBondContact O-OG1 3.34Å; H1107-T1110 PolarHBondContact O-N 3.15Å; H1107-T1110 VanDerWaalsContact O-N 3.16Å; V1108-T1110 VanDerWaalsContact C-N 3.33Å; V1108-T1110 PolarHBondContact O-N 3.49Å
1111V89.2Confident88Confident3 Ų323.9 Ų23.92%0.01812%0.119CC..Hα-helixtrans-66.6-46.5174.6-179.50000110.8I1084 F1087 L1089 H1107 V1108 E1109 N1113 R1114I1084-V1111 HydrophobicContact CB-CG1 4Å; I1084-V1111 HydrophobicContact CD1-CG1 3.97Å; I1084-V1111 HydrophobicContact CG1-CG1 4.24Å; F1087-V1111 HydrophobicContact CB-CG1 4.31Å; L1089-V1111 HydrophobicContact CB-CG2 4.38Å; L1089-V1111 HydrophobicContact CD1-CG2 4.42Å; H1107-V1111 PolarHBondContact O-N 3.18Å; V1108-V1111 PolarHBondContact O-N 3.43Å; E1109-V1111 VanDerWaalsContact C-N 3.27Å; E1109-V1111 PolarHBondContact O-N 3.03Å; V1111-N1113 PolarHBondContact O-N 3.42Å; V1111-R1114 WeakPolarHBondContact O-CB 3.45Å; V1111-R1114 PolarHBondContact O-N 3.39Å
1112L89.5Confident88.1Confident0 Ų024.7 Ų24.70%012%0.123CC..Hα-helixtrans-66.1-33.8-179.8-77.8167.8000114F1068 I1084 V1108 E1109 R1114 V1115 R1121 V1125 I1128F1068-L1112 HydrophobicContact CE1-CD1 4.16Å; F1068-L1112 HydrophobicContact CZ-CD1 4.38Å; I1084-L1112 HydrophobicContact CD1-CD2 3.65Å; I1084-L1112 HydrophobicContact CD1-CG 4.05Å; V1108-L1112 HydrophobicContact CG1-CD1 3.95Å; V1108-L1112 PolarHBondContact O-N 3.18Å; E1109-L1112 PolarHBondContact O-N 2.99Å; L1112-R1114 PolarHBondContact O-N 3.47Å; L1112-V1115 WeakPolarHBondContact O-CB 3.33Å; L1112-V1115 WeakPolarHBondContact O-CG2 3.39Å; L1112-V1115 PolarHBondContact O-N 2.98Å; L1112-V1115 VanDerWaalsContact O-N 3.15Å; L1112-R1121 VanDerWaalsContact CB-NH1 3.35Å; L1112-V1125 HydrophobicContact CD1-CG2 4.26Å; L1112-V1125 HydrophobicContact CD2-CG2 4.28Å; L1112-I1128 HydrophobicContact CD2-CD1 3.98Å
1113N85.3Confident88.5Confident11 Ų1124 Ų246%0.05912%0.119CC..THydrogen-bonded Turntrans-70.2-12.8-178.6-80.6-52.1000113.9R917 N1062 E1109 V1111 V1115R917-N1113 PolarHBondContact NH1-OD1 3.45Å; N1062-N1113 VanDerWaalsContact CG-OD1 3.25Å; N1062-N1113 PolarHBondContact ND2-OD1 3.42Å; N1062-N1113 PolarHBondContact OD1-OD1 3.38Å; E1109-N1113 VanDerWaalsContact O-CB 3.27Å; E1109-N1113 WeakPolarHBondContact O-CB 3.3Å; E1109-N1113 VanDerWaalsContact O-CG 3.24Å; E1109-N1113 PolarHBondContact O-N 3.33Å; E1109-N1113 PolarHBondContact O-ND2 3.04Å; E1109-N1113 PolarHBondContact OE2-ND2 3.11Å; V1111-N1113 PolarHBondContact O-N 3.42Å; N1113-V1115 PolarHBondContact O-N 3.06Å
1114R83.5Confident88.8Confident117 Ų11721.4 Ų21.444%0.44211%0.108SC..THydrogen-bonded Turntrans-65.5-20.8171-65.1-167.8172.7126.1-6112.5F1087 V1111 L1112 P1116F1087-R1114 VanDerWaalsContact CB-NH1 3.27Å; F1087-R1114 VanDerWaalsContact CE1-CZ 3.47Å; V1111-R1114 WeakPolarHBondContact O-CB 3.45Å; V1111-R1114 PolarHBondContact O-N 3.39Å; L1112-R1114 PolarHBondContact O-N 3.47Å; R1114-P1116 VanDerWaalsContact O-CD 3.24Å; R1114-P1116 WeakPolarHBondContact O-CD 3.18Å
1115V86.4Confident89Confident1 Ų121.5 Ų21.51%0.00611%0.108CC..  trans-75.1112.8173.9-175.30000108.6I1084 E1085 L1112 N1113 Y1120 R1121 L1124I1084-V1115 HydrophobicContact CG2-CG2 4.05Å; E1085-V1115 HydrophobicContact CG-CG2 4.05Å; L1112-V1115 WeakPolarHBondContact O-CB 3.33Å; L1112-V1115 WeakPolarHBondContact O-CG2 3.39Å; L1112-V1115 PolarHBondContact O-N 2.98Å; L1112-V1115 VanDerWaalsContact O-N 3.15Å; N1113-V1115 PolarHBondContact O-N 3.06Å; V1115-Y1120 HydrophobicContact CG1-CD1 3.59Å; V1115-Y1120 HydrophobicContact CG1-CE1 4.36Å; V1115-Y1120 HydrophobicContact CG1-CG 4.39Å; V1115-R1121 HydrophobicContact CB-CB 4.01Å; V1115-R1121 HydrophobicContact CB-CG 4.47Å; V1115-R1121 HydrophobicContact CG1-CB 3.81Å; V1115-L1124 HydrophobicContact CB-CD1 4.49Å; V1115-L1124 HydrophobicContact CG1-CD1 4.22Å; V1115-L1124 HydrophobicContact CG2-CD1 3.59Å
1116P80.7Confident89.2Confident49 Ų4922 Ų2232%0.31811%0.109SC..  trans-78.7-30.4-173.426.9-27.1000112.6R1114 P1118R1114-P1116 VanDerWaalsContact O-CD 3.24Å; R1114-P1116 WeakPolarHBondContact O-CD 3.18Å; P1116-P1118 VanDerWaalsContact O-CD 3.32Å; P1116-P1118 WeakPolarHBondContact O-CD 3.49Å
1117Q86.1Confident89.6Confident44 Ų4420.8 Ų20.821%0.20610%0.102CC..  trans-82116.2-180-58.883-2.700111.2E1119 Y1120 R1121 S1178 T1179Q1117-E1119 PolarHBondContact O-N 3.36Å; Q1117-Y1120 PolarHBondContact O-N 2.71Å; Q1117-R1121 WeakPolarHBondContact O-CB 3.44Å; Q1117-R1121 PolarHBondContact O-N 3.23Å; Q1117-S1178 PolarHBondContact NE2-OG 2.96Å; Q1117-T1179 HydrophobicContact CG-CG2 4.27Å
1118P88.1Confident89.8Confident22 Ų2217.6 Ų17.614%0.1439%0.088CC..Hα-helixtrans-56.8-44.3-178.9-30.239.3000114.6R1056 A1060 P1116 Y1120 R1121 Q1122R1056-P1118 WeakPolarHBondContact O-CB 3.49Å; A1060-P1118 HydrophobicContact CB-CB 4.16Å; A1060-P1118 HydrophobicContact CB-CG 4.15Å; P1116-P1118 VanDerWaalsContact O-CD 3.32Å; P1116-P1118 WeakPolarHBondContact O-CD 3.49Å; P1118-Y1120 PolarHBondContact O-N 3.18Å; P1118-R1121 WeakPolarHBondContact O-CB 3.37Å; P1118-R1121 PolarHBondContact O-N 3.46Å; P1118-Q1122 PolarHBondContact O-N 2.92Å
1119E89.3Confident89.8Confident18 Ų1819.2 Ų19.28%0.08410%0.096CC..Hα-helixtrans-65.9-36.2-179.355-94-12000113.1L1052 R1055 R1056 Q1117 Q1122 L1123 Y1186L1052-E1119 HydrophobicContact CD1-CB 4Å; L1052-E1119 HydrophobicContact CD1-CG 4.16Å; R1055-E1119 HydrophobicContact CB-CB 4.32Å; R1056-E1119 HydrophobicContact CG-CB 4.05Å; R1056-E1119 WeakPolarHBondContact CG-OE2 3.35Å; R1056-E1119 IonicContact CZ-OE1 3.98Å; R1056-E1119 VanDerWaalsContact CZ-OE1 3.27Å; R1056-E1119 IonicContact NE-OE1 2.73Å; R1056-E1119 PolarHBondContact NE-OE1 3.29Å; R1056-E1119 IonicContact NE-OE2 3.47Å; R1056-E1119 IonicContact NH2-OE1 3.52Å; R1056-E1119 PolarHBondContact NH2-OE1 2.99Å; Q1117-E1119 PolarHBondContact O-N 3.36Å; E1119-Q1122 PolarHBondContact O-N 3.29Å; E1119-L1123 PolarHBondContact O-N 2.64Å; E1119-Y1186 HydrophobicContact CB-CD1 3.92Å; E1119-Y1186 HydrophobicContact CB-CE1 4.14Å; E1119-Y1186 HydrophobicContact CB-CG 4.39Å; E1119-Y1186 HydrophobicContact CG-CD1 4.05Å; E1119-Y1186 HydrophobicContact CG-CD2 4.41Å; E1119-Y1186 HydrophobicContact CG-CE1 3.97Å; E1119-Y1186 HydrophobicContact CG-CE2 4.36Å; E1119-Y1186 HydrophobicContact CG-CG 4.29Å
1120Y92.4Very high89.9Confident4 Ų419.3 Ų19.32%0.01610%0.096CC..Hα-helixtrans-73.1-44176.9-174-125.7000111.7E1085 V1115 Q1117 P1118 Q1122 L1123 L1124 V1152 T1179 V1181 Y1186E1085-Y1120 HydrophobicContact CG-CE1 4.43Å; E1085-Y1120 PolarHBondContact OE1-OH 3.45Å; V1115-Y1120 HydrophobicContact CG1-CD1 3.59Å; V1115-Y1120 HydrophobicContact CG1-CE1 4.36Å; V1115-Y1120 HydrophobicContact CG1-CG 4.39Å; Q1117-Y1120 PolarHBondContact O-N 2.71Å; P1118-Y1120 PolarHBondContact O-N 3.18Å; Y1120-Q1122 PolarHBondContact O-N 2.87Å; Y1120-L1123 PolarHBondContact O-N 3.49Å; Y1120-L1123 VanDerWaalsContact O-N 3.08Å; Y1120-L1124 HydrophobicContact CD1-CD1 4.04Å; Y1120-L1124 HydrophobicContact CE1-CD1 3.76Å; Y1120-L1124 HydrophobicContact CE1-CG 4.37Å; Y1120-L1124 PolarHBondContact O-N 3.12Å; Y1120-V1152 HydrophobicContact CE2-CG1 3.9Å; Y1120-T1179 HydrophobicContact CD1-CG2 3.9Å; Y1120-T1179 HydrophobicContact CD2-CG2 4.21Å; Y1120-T1179 HydrophobicContact CG-CG2 3.76Å; Y1120-V1181 HydrophobicContact CD2-CG2 4.01Å; Y1120-V1181 HydrophobicContact CE2-CG2 3.84Å; Y1120-Y1186 WeakPolarHBondContact CB-OH 3.36Å; Y1120-Y1186 HydrophobicContact CD2-CE1 4.41Å; Y1120-Y1186 WeakPolarHBondContact CD2-OH 3.3Å
1121R92.1Very high90Very high2 Ų217.1 Ų17.11%0.0088%0.083CC..Hα-helixtrans-51.4-43.8170.9176.2177.8173.47.7-6111.4N1062 E1109 L1112 V1115 Q1117 P1118 L1124 V1125N1062-R1121 PolarHBondContact OD1-NE 3.32Å; N1062-R1121 PolarHBondContact OD1-NH2 2.99Å; N1062-R1121 VanDerWaalsContact OD1-NH2 3.11Å; E1109-R1121 IonicContact OE1-CZ 3.29Å; E1109-R1121 IonicContact OE1-NH2 3.17Å; E1109-R1121 PolarHBondContact OE1-NH2 2.68Å; E1109-R1121 IonicContact OE2-CZ 3.37Å; E1109-R1121 IonicContact OE2-NH2 3.81Å; E1109-R1121 PolarHBondContact OE2-NH2 2.77Å; L1112-R1121 VanDerWaalsContact CB-NH1 3.35Å; V1115-R1121 HydrophobicContact CB-CB 4.01Å; V1115-R1121 HydrophobicContact CB-CG 4.47Å; V1115-R1121 HydrophobicContact CG1-CB 3.81Å; Q1117-R1121 WeakPolarHBondContact O-CB 3.44Å; Q1117-R1121 PolarHBondContact O-N 3.23Å; P1118-R1121 WeakPolarHBondContact O-CB 3.37Å; P1118-R1121 PolarHBondContact O-N 3.46Å; R1121-L1124 PolarHBondContact O-N 2.92Å; R1121-V1125 WeakPolarHBondContact O-CG2 3.36Å; R1121-V1125 PolarHBondContact O-N 3.25Å
1122Q92.8Very high89.9Confident21 Ų2117.2 Ų17.210%0.0988%0.084CC..Hα-helixtrans-68.6-36.8179.3-166.763.21300113R1055 P1118 E1119 Y1120 L1124 V1125 E1126R1055-Q1122 HydrophobicContact CB-CB 4.01Å; R1055-Q1122 HydrophobicContact CB-CG 4.12Å; R1055-Q1122 HydrophobicContact CG-CB 4.23Å; R1055-Q1122 HydrophobicContact CG-CG 3.94Å; P1118-Q1122 PolarHBondContact O-N 2.92Å; E1119-Q1122 PolarHBondContact O-N 3.29Å; Y1120-Q1122 PolarHBondContact O-N 2.87Å; Q1122-L1124 VanDerWaalsContact C-N 3.32Å; Q1122-L1124 PolarHBondContact O-N 2.85Å; Q1122-V1125 WeakPolarHBondContact O-CB 3.39Å; Q1122-V1125 PolarHBondContact O-N 3.28Å; Q1122-E1126 WeakPolarHBondContact O-CG 3.42Å; Q1122-E1126 PolarHBondContact O-N 2.77Å
1123L93.5Very high89.7Confident2 Ų222.5 Ų22.51%0.0111%0.11CC..Hα-helixtrans-63.6-36.5172.3-79-174.1000112.5E1119 Y1120 E1126 A1127 V1152 V1181 L1185 Y1186E1119-L1123 PolarHBondContact O-N 2.64Å; Y1120-L1123 PolarHBondContact O-N 3.49Å; Y1120-L1123 VanDerWaalsContact O-N 3.08Å; L1123-E1126 PolarHBondContact O-N 3.05Å; L1123-A1127 WeakPolarHBondContact O-CB 3.35Å; L1123-A1127 PolarHBondContact O-N 3.25Å; L1123-V1152 HydrophobicContact CB-CG1 4.42Å; L1123-V1152 HydrophobicContact CD1-CG1 4.41Å; L1123-V1181 HydrophobicContact CD1-CG1 4.03Å; L1123-L1185 HydrophobicContact CD1-CD2 4.46Å; L1123-Y1186 HydrophobicContact CD1-CD1 3.43Å; L1123-Y1186 VanDerWaalsContact CD1-CD1 3.43Å; L1123-Y1186 HydrophobicContact CD1-CE1 3.35Å; L1123-Y1186 HydrophobicContact CD1-CG 4.49Å; L1123-Y1186 HydrophobicContact CG-CD1 3.97Å; L1123-Y1186 HydrophobicContact CG-CE1 4.02Å
1124L94.6Very high89.5Confident0 Ų023.3 Ų23.30%011%0.114CC..Hα-helixtrans-64.9-39.7173.8-68.1165.1000111.4I1084 V1115 Y1120 R1121 Q1122 A1127 I1128 V1148 V1152I1084-L1124 HydrophobicContact CG2-CD1 4.02Å; V1115-L1124 HydrophobicContact CB-CD1 4.49Å; V1115-L1124 HydrophobicContact CG1-CD1 4.22Å; V1115-L1124 HydrophobicContact CG2-CD1 3.59Å; Y1120-L1124 HydrophobicContact CD1-CD1 4.04Å; Y1120-L1124 HydrophobicContact CE1-CD1 3.76Å; Y1120-L1124 HydrophobicContact CE1-CG 4.37Å; Y1120-L1124 PolarHBondContact O-N 3.12Å; R1121-L1124 PolarHBondContact O-N 2.92Å; Q1122-L1124 VanDerWaalsContact C-N 3.32Å; Q1122-L1124 PolarHBondContact O-N 2.85Å; L1124-A1127 WeakPolarHBondContact O-CB 3.4Å; L1124-A1127 PolarHBondContact O-N 3Å; L1124-I1128 VanDerWaalsContact O-CG1 3.28Å; L1124-I1128 WeakPolarHBondContact O-CG1 3.3Å; L1124-I1128 PolarHBondContact O-N 3.31Å; L1124-V1148 HydrophobicContact CB-CG1 4.39Å; L1124-V1148 HydrophobicContact CD2-CB 4.27Å; L1124-V1148 HydrophobicContact CD2-CG1 3.7Å; L1124-V1152 HydrophobicContact CD2-CG2 3.82Å; L1124-V1152 HydrophobicContact CG-CG2 4.48Å
1125V93.8Very high89.1Confident2 Ų218.2 Ų18.21%0.01210%0.096CC..Hα-helixtrans-61.6-44.6172.8171.30000111.1V1064 F1068 L1112 R1121 Q1122 A1127 I1128 L1129V1064-V1125 HydrophobicContact CG1-CG1 4.04Å; V1064-V1125 HydrophobicContact CG1-CG2 4.34Å; F1068-V1125 HydrophobicContact CD2-CG1 4.46Å; F1068-V1125 HydrophobicContact CE2-CG1 3.98Å; F1068-V1125 HydrophobicContact CZ-CG1 4.24Å; L1112-V1125 HydrophobicContact CD1-CG2 4.26Å; L1112-V1125 HydrophobicContact CD2-CG2 4.28Å; R1121-V1125 WeakPolarHBondContact O-CG2 3.36Å; R1121-V1125 PolarHBondContact O-N 3.25Å; Q1122-V1125 WeakPolarHBondContact O-CB 3.39Å; Q1122-V1125 PolarHBondContact O-N 3.28Å; V1125-A1127 VanDerWaalsContact C-N 3.33Å; V1125-A1127 PolarHBondContact O-N 2.96Å; V1125-I1128 PolarHBondContact O-N 3.07Å; V1125-L1129 WeakPolarHBondContact O-CB 3.4Å; V1125-L1129 PolarHBondContact O-N 3.09Å
1126E94Very high88.6Confident19 Ų1924 Ų249%0.08913%0.128CC..Hα-helixtrans-59.4-43.2174.2-73.6177.4-151.600111.4R1055 Q1122 L1123 L1129 V1130 S1196 M1197 L1200R1055-E1126 IonicContact CZ-OE1 3.26Å; R1055-E1126 IonicContact NE-OE1 2.74Å; R1055-E1126 PolarHBondContact NE-OE1 3.33Å; R1055-E1126 IonicContact NE-OE2 3.45Å; R1055-E1126 IonicContact NH2-OE1 3.51Å; R1055-E1126 PolarHBondContact NH2-OE1 3.3Å; R1055-E1126 IonicContact NH2-OE2 3.13Å; R1055-E1126 PolarHBondContact NH2-OE2 2.97Å; Q1122-E1126 WeakPolarHBondContact O-CG 3.42Å; Q1122-E1126 PolarHBondContact O-N 2.77Å; L1123-E1126 PolarHBondContact O-N 3.05Å; E1126-L1129 WeakPolarHBondContact O-CB 3.39Å; E1126-L1129 PolarHBondContact O-N 3.46Å; E1126-V1130 WeakPolarHBondContact O-CG2 3.44Å; E1126-V1130 PolarHBondContact O-N 3.37Å; E1126-S1196 WeakPolarHBondContact OE2-CB 3.26Å; E1126-S1196 PolarHBondContact OE2-OG 2.95Å; E1126-M1197 HydrophobicContact CB-SD 3.83Å; E1126-M1197 HydrophobicContact CG-SD 4.13Å; E1126-L1200 HydrophobicContact CB-CD1 3.66Å
1127A94.3Very high88.5Confident0 Ų024.2 Ų24.20%013%0.128CC..Hα-helixtrans-63.2-44.8177.500000112.2L1123 L1124 V1125 L1129 V1130 L1131 V1148 I1151 V1152 L1200L1123-A1127 WeakPolarHBondContact O-CB 3.35Å; L1123-A1127 PolarHBondContact O-N 3.25Å; L1124-A1127 WeakPolarHBondContact O-CB 3.4Å; L1124-A1127 PolarHBondContact O-N 3Å; V1125-A1127 VanDerWaalsContact C-N 3.33Å; V1125-A1127 PolarHBondContact O-N 2.96Å; A1127-L1129 VanDerWaalsContact C-N 3.31Å; A1127-L1129 PolarHBondContact O-N 3.06Å; A1127-V1130 PolarHBondContact O-N 3.18Å; A1127-L1131 WeakPolarHBondContact O-CG 3.49Å; A1127-L1131 PolarHBondContact O-N 2.89Å; A1127-V1148 HydrophobicContact CB-CG1 3.89Å; A1127-I1151 HydrophobicContact CB-CG2 4.46Å; A1127-V1152 HydrophobicContact CB-CG2 3.75Å; A1127-L1200 HydrophobicContact CB-CD2 3.83Å
1128I93.6Very high87.8Confident2 Ų230 Ų301%0.0116%0.16CC..Hα-helixtrans-62.4-41.1175-67164.9000110.3F1068 V1072 I1084 L1112 L1124 V1125 V1130 L1131 T1132 V1148F1068-I1128 HydrophobicContact CE2-CB 4.02Å; F1068-I1128 HydrophobicContact CE2-CG2 3.64Å; F1068-I1128 HydrophobicContact CZ-CB 4.14Å; F1068-I1128 HydrophobicContact CZ-CD1 4.39Å; F1068-I1128 HydrophobicContact CZ-CG2 3.71Å; V1072-I1128 HydrophobicContact CG2-CG2 3.58Å; I1084-I1128 HydrophobicContact CD1-CD1 3.81Å; L1112-I1128 HydrophobicContact CD2-CD1 3.98Å; L1124-I1128 VanDerWaalsContact O-CG1 3.28Å; L1124-I1128 WeakPolarHBondContact O-CG1 3.3Å; L1124-I1128 PolarHBondContact O-N 3.31Å; V1125-I1128 PolarHBondContact O-N 3.07Å; I1128-V1130 VanDerWaalsContact C-N 3.32Å; I1128-V1130 PolarHBondContact O-N 3.41Å; I1128-L1131 WeakPolarHBondContact O-CB 3.49Å; I1128-L1131 PolarHBondContact O-N 2.93Å; I1128-T1132 HydrophobicContact CG2-CG2 4.2Å; I1128-T1132 WeakPolarHBondContact O-CG2 3.41Å; I1128-T1132 PolarHBondContact O-N 2.95Å; I1128-V1148 HydrophobicContact CD1-CG1 4.33Å; I1128-V1148 HydrophobicContact CD1-CG2 4.46Å; I1128-V1148 HydrophobicContact CG1-CG1 3.77Å; I1128-V1148 HydrophobicContact CG1-CG2 3.96Å
1129L91.4Very high87.1Confident36 Ų3629.5 Ų29.519%0.18816%0.156CC..Hα-helixtrans-60-42.9177.1-17470.4000111.6P1065 F1068 V1125 E1126 A1127 T1132 M1197P1065-L1129 HydrophobicContact CG-CD1 4.43Å; P1065-L1129 HydrophobicContact CG-CD2 4.18Å; F1068-L1129 HydrophobicContact CD2-CD1 4.48Å; V1125-L1129 WeakPolarHBondContact O-CB 3.4Å; V1125-L1129 PolarHBondContact O-N 3.09Å; E1126-L1129 WeakPolarHBondContact O-CB 3.39Å; E1126-L1129 PolarHBondContact O-N 3.46Å; A1127-L1129 VanDerWaalsContact C-N 3.31Å; A1127-L1129 PolarHBondContact O-N 3.06Å; L1129-T1132 PolarHBondContact O-N 3.48Å; L1129-T1132 PolarHBondContact O-OG1 3.2Å; L1129-M1197 HydrophobicContact CD2-CE 4.15Å
1130V91.4Very high86.1Confident4 Ų434.8 Ų34.82%0.02419%0.192CC..Hα-helixtrans-63-46.6173.3175.90000110.9E1126 A1127 I1128 T1132 M1133 M1197 L1200 V1204E1126-V1130 WeakPolarHBondContact O-CG2 3.44Å; E1126-V1130 PolarHBondContact O-N 3.37Å; A1127-V1130 PolarHBondContact O-N 3.18Å; I1128-V1130 VanDerWaalsContact C-N 3.32Å; I1128-V1130 PolarHBondContact O-N 3.41Å; V1130-T1132 PolarHBondContact O-N 2.85Å; V1130-M1133 VanDerWaalsContact O-CB 3.28Å; V1130-M1133 WeakPolarHBondContact O-CB 3.39Å; V1130-M1133 WeakPolarHBondContact O-CG 3.29Å; V1130-M1133 PolarHBondContact O-N 2.74Å; V1130-M1197 HydrophobicContact CG2-CE 3.36Å; V1130-M1197 HydrophobicContact CG2-SD 3.84Å; V1130-L1200 HydrophobicContact CG2-CB 4.07Å; V1130-V1204 HydrophobicContact CB-CG2 4.27Å; V1130-V1204 HydrophobicContact CG1-CB 3.98Å; V1130-V1204 HydrophobicContact CG1-CG1 4.37Å; V1130-V1204 HydrophobicContact CG1-CG2 3.71Å
1131L89.1Confident85.2Confident2 Ų237.1 Ų37.11%0.0121%0.209CC..Hα-helixtrans-55.7-37.3175.6-79.2168.1000112.2A1127 I1128 M1133 L1134 V1146 V1148 I1151 V1204A1127-L1131 WeakPolarHBondContact O-CG 3.49Å; A1127-L1131 PolarHBondContact O-N 2.89Å; I1128-L1131 WeakPolarHBondContact O-CB 3.49Å; I1128-L1131 PolarHBondContact O-N 2.93Å; L1131-M1133 PolarHBondContact O-N 3.42Å; L1131-L1134 HydrophobicContact CD2-CD1 4.33Å; L1131-L1134 VanDerWaalsContact O-CB 3.29Å; L1131-L1134 WeakPolarHBondContact O-CB 3.38Å; L1131-L1134 PolarHBondContact O-N 2.9Å; L1131-V1146 HydrophobicContact CD1-CG1 3.85Å; L1131-V1146 HydrophobicContact CD2-CG1 4.06Å; L1131-V1148 HydrophobicContact CD1-CG2 4.21Å; L1131-I1151 HydrophobicContact CD1-CD1 3.72Å; L1131-I1151 HydrophobicContact CD2-CD1 3.81Å; L1131-I1151 HydrophobicContact CG-CD1 4.04Å; L1131-V1204 HydrophobicContact CD2-CB 4.45Å; L1131-V1204 HydrophobicContact CD2-CG1 3.77Å; L1131-V1204 HydrophobicContact CD2-CG2 3.88Å; L1131-V1204 HydrophobicContact CG-CG1 4.46Å; L1131-V1204 HydrophobicContact CG-CG2 3.88Å
1132T86.9Confident84.5Confident5 Ų537.2 Ų37.23%0.03121%0.21CC..Hα-helixtrans-66.7-16.1179.672.40000113.9K1071 V1072 I1075 I1128 L1129 V1130 L1134 A1135K1071-T1132 HydrophobicContact CB-CG2 3.8Å; V1072-T1132 HydrophobicContact CG2-CG2 4.48Å; I1075-T1132 HydrophobicContact CG2-CG2 4.26Å; I1128-T1132 HydrophobicContact CG2-CG2 4.2Å; I1128-T1132 WeakPolarHBondContact O-CG2 3.41Å; I1128-T1132 PolarHBondContact O-N 2.95Å; L1129-T1132 PolarHBondContact O-N 3.48Å; L1129-T1132 PolarHBondContact O-OG1 3.2Å; V1130-T1132 PolarHBondContact O-N 2.85Å; T1132-L1134 PolarHBondContact O-N 2.91Å; T1132-A1135 WeakPolarHBondContact O-CB 3.39Å; T1132-A1135 PolarHBondContact O-N 2.98Å
1133M84.6Confident83.3Confident112 Ų11238.2 Ų38.255%0.55223%0.226SC*.G310 helixtrans-63.5-24.3171.4-59.8-175.1-178.600111.8V1130 L1131 A1135V1130-M1133 VanDerWaalsContact O-CB 3.28Å; V1130-M1133 WeakPolarHBondContact O-CB 3.39Å; V1130-M1133 WeakPolarHBondContact O-CG 3.29Å; V1130-M1133 PolarHBondContact O-N 2.74Å; L1131-M1133 PolarHBondContact O-N 3.42Å; M1133-A1135 PolarHBondContact O-N 3.38Å
1134L80.2Confident82.7Confident28 Ų2839.3 Ų39.315%0.14723%0.233CC..G310 helixtrans-74.9-15.9173.4-57.9170.7000112.7I1075 L1131 T1132 D1136 V1137 V1204 V1208I1075-L1134 HydrophobicContact CD1-CB 4.1Å; L1131-L1134 HydrophobicContact CD2-CD1 4.33Å; L1131-L1134 VanDerWaalsContact O-CB 3.29Å; L1131-L1134 WeakPolarHBondContact O-CB 3.38Å; L1131-L1134 PolarHBondContact O-N 2.9Å; T1132-L1134 PolarHBondContact O-N 2.91Å; L1134-D1136 PolarHBondContact O-N 3.28Å; L1134-V1137 PolarHBondContact O-N 3.09Å; L1134-V1204 HydrophobicContact CD1-CG1 3.82Å; L1134-V1208 HydrophobicContact CD1-CG1 4.42Å; L1134-V1208 HydrophobicContact CD1-CG2 3.66Å
1135A76.1Confident82.4Confident9 Ų942.2 Ų42.27%0.07425%0.248CC..G310 helixtrans-64.7-27.2178.800000112.1K1074 I1075 K1078 T1132 M1133K1074-A1135 HydrophobicContact CB-CB 3.82Å; I1075-A1135 HydrophobicContact CB-CB 4.35Å; K1078-A1135 PolarHBondContact NZ-O 3.37Å; T1132-A1135 WeakPolarHBondContact O-CB 3.39Å; T1132-A1135 PolarHBondContact O-N 2.98Å; M1133-A1135 PolarHBondContact O-N 3.38Å
1136D76.1Confident82.2Confident123 Ų12342.2 Ų42.266%0.65825%0.248SC*.G310 helixtrans-92.2-4.5179.1-61-36.3000113K1074 L1134K1074-D1136 IonicContact NZ-OD1 3.34Å; L1134-D1136 PolarHBondContact O-N 3.28Å
1137V78.9Confident82.1Confident53 Ų5343.6 Ų43.632%0.32125%0.254SS..SBendtrans-84.5135.5176.4-1720000109.8K1078 L1134 I1139 V1219K1078-V1137 PolarHBondContact NZ-O 3.25Å; L1134-V1137 PolarHBondContact O-N 3.09Å; V1137-I1139 VanDerWaalsContact C-N 3.26Å; V1137-I1139 HydrophobicContact CB-CD1 4.12Å; V1137-I1139 HydrophobicContact CB-CG1 4.08Å; V1137-I1139 HydrophobicContact CG1-CD1 3.83Å; V1137-I1139 HydrophobicContact CG1-CG1 3.66Å; V1137-I1139 PolarHBondContact O-N 2.65Å; V1137-V1219 HydrophobicContact CG1-CG2 4.18Å
1138D71Confident82.1Confident167 Ų16743.6 Ų43.689%0.89325%0.254SS*.  trans-73.876.4-178.4-164.116.8000111.9
1139I73.2Confident82Confident11 Ų1144.6 Ų44.66%0.05626%0.259CS..  trans-121.8126.8178.5-47.2177.8000107.9V1137 S1141 L1212 V1219V1137-I1139 VanDerWaalsContact C-N 3.26Å; V1137-I1139 HydrophobicContact CB-CD1 4.12Å; V1137-I1139 HydrophobicContact CB-CG1 4.08Å; V1137-I1139 HydrophobicContact CG1-CD1 3.83Å; V1137-I1139 HydrophobicContact CG1-CG1 3.66Å; V1137-I1139 PolarHBondContact O-N 2.65Å; I1139-S1141 PolarHBondContact O-N 2.98Å; I1139-L1212 HydrophobicContact CG2-CD2 4.26Å; I1139-V1219 HydrophobicContact CD1-CB 4.14Å; I1139-V1219 HydrophobicContact CD1-CG1 3.48Å; I1139-V1219 VanDerWaalsContact CD1-CG1 3.48Å; I1139-V1219 HydrophobicContact CD1-CG2 3.46Å; I1139-V1219 VanDerWaalsContact CD1-CG2 3.46Å; I1139-V1219 HydrophobicContact CG1-CG1 4.49Å; I1139-V1219 HydrophobicContact CG1-CG2 3.54Å
1140P67.4Low82Confident128 Ų12849.5 Ų49.583%0.83128%0.275SS*.SBendtrans-68-34.6-177.823.6-31.7000112.8
1141S75.4Confident82.1Confident54 Ų5449.3 Ų49.338%0.37827%0.274SS..  trans-164.2149.3173.5-1670000112.2K1078 I1139 G1143K1078-S1141 CarbonylContact O-C 3.55Å; K1078-S1141 WeakPolarHBondContact O-CA 3.4Å; K1078-S1141 PolarHBondContact O-OG 3.5Å; I1139-S1141 PolarHBondContact O-N 2.98Å; S1141-G1143 PolarHBondContact OG-N 3.35Å
1142I75.9Confident82.4Confident4 Ų449.3 Ų49.32%0.02127%0.274CS..  trans-89.4-10.3167.9-57.5170.8000110.3I1075 K1078 C1079 S1144 V1146I1075-I1142 HydrophobicContact CD1-CD1 3.56Å; K1078-I1142 HydrophobicContact CB-CD1 4.34Å; K1078-I1142 HydrophobicContact CB-CG1 4.46Å; K1078-I1142 PolarHBondContact O-N 2.92Å; C1079-I1142 HydrophobicContact CB-CB 4.32Å; I1142-S1144 VanDerWaalsContact C-N 3.3Å; I1142-S1144 PolarHBondContact O-N 3.47Å; I1142-V1146 HydrophobicContact CG2-CG2 4.16Å
1143G67.1Low82.8Confident42 Ų4252.1 Ų52.143%0.43329%0.287SS..  trans76.3-14.315900000118.1H1080 S1141H1080-G1143 PolarHBondContact CE1-O 2.86Å; H1080-G1143 PolarHBondContact ND1-O 2.93Å; S1141-G1143 PolarHBondContact OG-N 3.35Å
1144S81.4Confident83.2Confident24 Ų2449.4 Ų49.417%0.16827%0.273CS..SBendtrans-139.7178.8-179.571.90000113.2H1080 I1142 F1211H1080-S1144 PolarHBondContact N-O 3.34Å; H1080-S1144 VanDerWaalsContact N-O 3.09Å; H1080-S1144 PolarHBondContact ND1-N 3.34Å; I1142-S1144 VanDerWaalsContact C-N 3.3Å; I1142-S1144 PolarHBondContact O-N 3.47Å; S1144-F1211 WeakPolarHBondContact OG-CD1 3.26Å; S1144-F1211 WeakPolarHBondContact OG-CE1 3.5Å
1145I88.5Confident83.9Confident61 Ų6148.1 Ų48.131%0.31327%0.266SS..EExtended strand (participates in β ladder)trans-75.7123.1168.1-63.8172.8000107.7H1080 G1081 V1088H1080-I1145 HydrophobicContact CB-CG1 4.03Å; G1081-I1145 WeakPolarHBondContact O-CA 3.49Å; V1088-I1145 HydrophobicContact CG1-CD1 4.19Å; V1088-I1145 HydrophobicContact CG1-CG2 4.31Å; V1088-I1145 HydrophobicContact CG2-CD1 4.27Å; V1088-I1145 HydrophobicContact CG2-CG2 4.33Å
1146V90.1Very high84.9Confident3 Ų347.7 Ų47.72%0.01826%0.262CS..EExtended strand (participates in β ladder)trans-86.2116.1178.7-179.20000108.8C1079 G1081 L1082 S1083 L1131 I1142 V1148 I1151 Y1207C1079-V1146 HydrophobicContact CB-CG2 4.14Å; G1081-V1146 PolarHBondContact O-N 3.26Å; L1082-V1146 HydrophobicContact CD2-CB 3.91Å; L1082-V1146 HydrophobicContact CD2-CG1 4.44Å; L1082-V1146 HydrophobicContact CD2-CG2 4.48Å; S1083-V1146 PolarHBondContact N-O 3Å; L1131-V1146 HydrophobicContact CD1-CG1 3.85Å; L1131-V1146 HydrophobicContact CD2-CG1 4.06Å; I1142-V1146 HydrophobicContact CG2-CG2 4.16Å; V1146-V1148 PolarHBondContact O-N 3.32Å; V1146-I1151 HydrophobicContact CG1-CD1 3.74Å; V1146-Y1207 HydrophobicContact CG1-CD1 4.47Å; V1146-Y1207 HydrophobicContact CG1-CE1 3.99Å
1147H92.1Very high85.7Confident47 Ų4746 Ų4622%0.21825%0.253CS..EExtended strand (participates in β ladder)trans-85100.3177.3-69.8-88.3000110.2S1083 E1149 R1150 I1151 Y1207S1083-H1147 WeakPolarHBondContact CB-ND1 3.48Å; S1083-H1147 PolarHBondContact OG-ND1 2.89Å; H1147-E1149 VanDerWaalsContact C-N 3.3Å; H1147-E1149 WeakPolarHBondContact CB-OE1 3.3Å; H1147-E1149 IonicContact CG-OE1 3.78Å; H1147-E1149 IonicContact ND1-OE1 3.17Å; H1147-E1149 PolarHBondContact ND1-OE1 2.96Å; H1147-E1149 PolarHBondContact O-N 3.04Å; H1147-R1150 HydrophobicContact CB-CB 3.97Å; H1147-R1150 HydrophobicContact CB-CG 3.72Å; H1147-R1150 PolarHBondContact O-N 2.97Å; H1147-I1151 PolarHBondContact O-N 3.09Å; H1147-Y1207 PolarHBondContact N-OH 2.73Å
1148V93.4Very high86.4Confident0 Ų046.1 Ų46.10%025%0.251CS..Hα-helixtrans-65.5-38.1-176.2-175.60000110.5L1082 S1083 I1084 L1124 A1127 I1128 L1131 V1146 R1150 I1151 V1152L1082-V1148 HydrophobicContact CB-CG2 4.44Å; S1083-V1148 WeakPolarHBondContact O-CB 3.33Å; S1083-V1148 WeakPolarHBondContact O-CG2 3.4Å; S1083-V1148 PolarHBondContact O-N 2.74Å; I1084-V1148 HydrophobicContact CG1-CB 4.38Å; I1084-V1148 HydrophobicContact CG1-CG2 4.2Å; L1124-V1148 HydrophobicContact CB-CG1 4.39Å; L1124-V1148 HydrophobicContact CD2-CB 4.27Å; L1124-V1148 HydrophobicContact CD2-CG1 3.7Å; A1127-V1148 HydrophobicContact CB-CG1 3.89Å; I1128-V1148 HydrophobicContact CD1-CG1 4.33Å; I1128-V1148 HydrophobicContact CD1-CG2 4.46Å; I1128-V1148 HydrophobicContact CG1-CG1 3.77Å; I1128-V1148 HydrophobicContact CG1-CG2 3.96Å; L1131-V1148 HydrophobicContact CD1-CG2 4.21Å; V1146-V1148 PolarHBondContact O-N 3.32Å; V1148-R1150 VanDerWaalsContact C-N 3.29Å; V1148-R1150 PolarHBondContact O-N 3.47Å; V1148-I1151 WeakPolarHBondContact O-CB 3.45Å; V1148-I1151 PolarHBondContact O-N 3.15Å; V1148-V1152 PolarHBondContact O-N 3.15Å; V1148-V1152 VanDerWaalsContact O-N 3.16Å
1149E92.3Very high87.5Confident23 Ų2338.3 Ų38.311%0.10721%0.209CC..Hα-helixtrans-57.2-40.8175.764.1-77.6178.200112.1S1083 E1085 H1147 I1151 V1152 H1153S1083-E1149 PolarHBondContact OG-OE1 3.33Å; E1085-E1149 PolarHBondContact N-OE2 3.46Å; H1147-E1149 VanDerWaalsContact C-N 3.3Å; H1147-E1149 WeakPolarHBondContact CB-OE1 3.3Å; H1147-E1149 IonicContact CG-OE1 3.78Å; H1147-E1149 IonicContact ND1-OE1 3.17Å; H1147-E1149 PolarHBondContact ND1-OE1 2.96Å; H1147-E1149 PolarHBondContact O-N 3.04Å; E1149-I1151 PolarHBondContact O-N 2.89Å; E1149-V1152 PolarHBondContact O-N 2.98Å; E1149-H1153 PolarHBondContact O-CD2 2.75Å; E1149-H1153 PolarHBondContact O-N 3.19Å
1150R91.7Very high88.4Confident140 Ų14040.4 Ų40.453%0.52822%0.217SC..Hα-helixtrans-66.7-37.8179.6-68.6-173.4-173.5179.41.6112.1H1147 V1148 V1152 H1153 Q1154 Y1207H1147-R1150 HydrophobicContact CB-CB 3.97Å; H1147-R1150 HydrophobicContact CB-CG 3.72Å; H1147-R1150 PolarHBondContact O-N 2.97Å; V1148-R1150 VanDerWaalsContact C-N 3.29Å; V1148-R1150 PolarHBondContact O-N 3.47Å; R1150-V1152 VanDerWaalsContact C-N 3.33Å; R1150-H1153 PolarHBondContact O-N 3.26Å; R1150-Q1154 WeakPolarHBondContact O-CB 3.48Å; R1150-Q1154 PolarHBondContact O-N 3.34Å; R1150-Y1207 HydrophobicContact CB-CE2 3.95Å
1151I93.6Very high89.5Confident0 Ų040.5 Ų40.50%020%0.204CC..Hα-helixtrans-62.9-43.6175.9-68.3163.5000110.1A1127 L1131 V1146 H1147 V1148 E1149 Q1154 A1155 A1203 V1204 Y1207A1127-I1151 HydrophobicContact CB-CG2 4.46Å; L1131-I1151 HydrophobicContact CD1-CD1 3.72Å; L1131-I1151 HydrophobicContact CD2-CD1 3.81Å; L1131-I1151 HydrophobicContact CG-CD1 4.04Å; V1146-I1151 HydrophobicContact CG1-CD1 3.74Å; H1147-I1151 PolarHBondContact O-N 3.09Å; V1148-I1151 WeakPolarHBondContact O-CB 3.45Å; V1148-I1151 PolarHBondContact O-N 3.15Å; E1149-I1151 PolarHBondContact O-N 2.89Å; I1151-Q1154 PolarHBondContact O-N 2.81Å; I1151-A1155 WeakPolarHBondContact O-CB 2.98Å; I1151-A1155 PolarHBondContact O-N 3.08Å; I1151-A1203 HydrophobicContact CG2-CB 4.02Å; I1151-A1203 WeakPolarHBondContact O-CB 3.35Å; I1151-V1204 HydrophobicContact CD1-CG2 4.32Å; I1151-V1204 HydrophobicContact CG2-CG2 3.62Å; I1151-Y1207 HydrophobicContact CD1-CD1 4.11Å; I1151-Y1207 HydrophobicContact CD1-CE1 4.49Å; I1151-Y1207 HydrophobicContact CD1-CG 4.19Å; I1151-Y1207 HydrophobicContact CG1-CD1 4.13Å; I1151-Y1207 HydrophobicContact CG1-CD2 3.82Å; I1151-Y1207 HydrophobicContact CG1-CE2 4.34Å; I1151-Y1207 HydrophobicContact CG1-CG 3.72Å
1152V94.8Very high90.3Very high1 Ų140.5 Ų40.51%0.00620%0.2CC..Hα-helixtrans-63.6-42.9176.5176.30000111Y1120 L1123 L1124 A1127 V1148 E1149 R1150 A1155 N1156 V1181 L1200Y1120-V1152 HydrophobicContact CE2-CG1 3.9Å; L1123-V1152 HydrophobicContact CB-CG1 4.42Å; L1123-V1152 HydrophobicContact CD1-CG1 4.41Å; L1124-V1152 HydrophobicContact CD2-CG2 3.82Å; L1124-V1152 HydrophobicContact CG-CG2 4.48Å; A1127-V1152 HydrophobicContact CB-CG2 3.75Å; V1148-V1152 PolarHBondContact O-N 3.15Å; V1148-V1152 VanDerWaalsContact O-N 3.16Å; E1149-V1152 PolarHBondContact O-N 2.98Å; R1150-V1152 VanDerWaalsContact C-N 3.33Å; V1152-A1155 PolarHBondContact O-N 3.18Å; V1152-N1156 VanDerWaalsContact O-CB 3.32Å; V1152-N1156 WeakPolarHBondContact O-CB 3.39Å; V1152-N1156 PolarHBondContact O-N 2.97Å; V1152-V1181 HydrophobicContact CG1-CG2 4.25Å; V1152-L1200 HydrophobicContact CG2-CD2 4.12Å
1153H94.4Very high90.9Very high64 Ų6441.7 Ų41.730%0.29621%0.205SC..Hα-helixtrans-64.5-42.2176.3-74.6-66.3000113E1149 R1150 A1155 N1156 D1157 T1179E1149-H1153 PolarHBondContact O-CD2 2.75Å; E1149-H1153 PolarHBondContact O-N 3.19Å; R1150-H1153 PolarHBondContact O-N 3.26Å; H1153-A1155 PolarHBondContact O-N 3.19Å; H1153-N1156 CarbonylContact O-C 3.59Å; H1153-N1156 WeakPolarHBondContact O-CB 3.27Å; H1153-N1156 PolarHBondContact O-N 3.03Å; H1153-D1157 PolarHBondContact O-N 3.24Å; H1153-T1179 PolarHBondContact CE1-O 3.18Å
1154Q94.2Very high92Very high55 Ų5545 Ų4526%0.25721%0.208SC..Hα-helixtrans-64.2-41.6176.5-173.2175.524.600111.3R1150 I1151 N1156 D1157 M1158 A1203R1150-Q1154 WeakPolarHBondContact O-CB 3.48Å; R1150-Q1154 PolarHBondContact O-N 3.34Å; I1151-Q1154 PolarHBondContact O-N 2.81Å; Q1154-N1156 VanDerWaalsContact C-N 3.31Å; Q1154-N1156 PolarHBondContact O-N 3.31Å; Q1154-D1157 PolarHBondContact O-N 3.02Å; Q1154-M1158 HydrophobicContact CG-CE 3.86Å; Q1154-M1158 VanDerWaalsContact O-CG 3.28Å; Q1154-M1158 WeakPolarHBondContact O-CG 3.33Å; Q1154-M1158 PolarHBondContact O-N 3.14Å; Q1154-A1203 HydrophobicContact CB-CB 4.14Å; Q1154-A1203 HydrophobicContact CG-CB 4.22Å; Q1154-A1203 PolarHBondContact OE1-O 2.9Å
1155A95.3Very high92.4Very high1 Ų149.5 Ų49.51%0.00823%0.23CC..Hα-helixtrans-61.2-41.7172.600000111.6I1151 V1152 H1153 M1158 F1159 L1200 A1203I1151-A1155 WeakPolarHBondContact O-CB 2.98Å; I1151-A1155 PolarHBondContact O-N 3.08Å; V1152-A1155 PolarHBondContact O-N 3.18Å; H1153-A1155 PolarHBondContact O-N 3.19Å; A1155-M1158 PolarHBondContact O-N 3.32Å; A1155-F1159 WeakPolarHBondContact O-CB 3.36Å; A1155-F1159 PolarHBondContact O-N 3.17Å; A1155-L1200 HydrophobicContact CB-CD2 3.82Å; A1155-L1200 HydrophobicContact CB-CG 4.31Å; A1155-A1203 HydrophobicContact CB-CB 3.78Å
1156N95.1Very high92.3Very high0 Ų051.7 Ų51.70%024%0.242CC..Hα-helixtrans-64-41.4176.3175.773.2000112.8V1152 H1153 Q1154 F1159 Y1160 G1180 C1182 L1185V1152-N1156 VanDerWaalsContact O-CB 3.32Å; V1152-N1156 WeakPolarHBondContact O-CB 3.39Å; V1152-N1156 PolarHBondContact O-N 2.97Å; H1153-N1156 CarbonylContact O-C 3.59Å; H1153-N1156 WeakPolarHBondContact O-CB 3.27Å; H1153-N1156 PolarHBondContact O-N 3.03Å; Q1154-N1156 VanDerWaalsContact C-N 3.31Å; Q1154-N1156 PolarHBondContact O-N 3.31Å; N1156-F1159 PolarHBondContact O-N 3.42Å; N1156-Y1160 VanDerWaalsContact O-CB 3.23Å; N1156-Y1160 WeakPolarHBondContact O-CB 3.26Å; N1156-Y1160 PolarHBondContact O-N 3.42Å; N1156-G1180 PolarHBondContact ND2-O 3.01Å; N1156-C1182 VanDerWaalsContact OD1-CB 3.28Å; N1156-C1182 WeakPolarHBondContact OD1-CB 3.33Å; N1156-C1182 PolarHBondContact OD1-N 3.47Å; N1156-L1185 HydrophobicContact CB-CD2 3.89Å
1157D94.3Very high92.1Very high88 Ų8854.5 Ų54.547%0.47127%0.271SS..Hα-helixtrans-68.9-40178.4-69.6-22.1000111.6H1153 Q1154 Y1160 K1161 K1175H1153-D1157 PolarHBondContact O-N 3.24Å; Q1154-D1157 PolarHBondContact O-N 3.02Å; D1157-Y1160 PolarHBondContact O-N 3.5Å; D1157-K1161 WeakPolarHBondContact O-CB 3.2Å; D1157-K1161 PolarHBondContact O-N 2.96Å; D1157-K1175 IonicContact OD1-NZ 2.78Å
1158M93.8Very high91.8Very high56 Ų5653.5 Ų53.528%0.27627%0.272SS..Hα-helixtrans-60.9-45.6171.5-70176.1-178.600111.5Q1154 A1155 D1162 Y1199 K1202 A1206Q1154-M1158 HydrophobicContact CG-CE 3.86Å; Q1154-M1158 VanDerWaalsContact O-CG 3.28Å; Q1154-M1158 WeakPolarHBondContact O-CG 3.33Å; Q1154-M1158 PolarHBondContact O-N 3.14Å; A1155-M1158 PolarHBondContact O-N 3.32Å; M1158-D1162 WeakPolarHBondContact O-CB 3.42Å; M1158-D1162 PolarHBondContact O-N 3.09Å; M1158-Y1199 HydrophobicContact CB-CD1 3.79Å; M1158-Y1199 HydrophobicContact CB-CE1 4.21Å; M1158-K1202 HydrophobicContact SD-CB 3.92Å; M1158-A1206 HydrophobicContact CE-CB 4.16Å
1159F93.4Very high91.2Very high3 Ų359.3 Ų59.31%0.01330%0.299CS..Hα-helixtrans-62.1-49.1176.5177-90000111.4A1155 N1156 K1161 D1162 Q1163 L1184 L1185 Y1199A1155-F1159 WeakPolarHBondContact O-CB 3.36Å; A1155-F1159 PolarHBondContact O-N 3.17Å; N1156-F1159 PolarHBondContact O-N 3.42Å; F1159-K1161 VanDerWaalsContact C-N 3.32Å; F1159-K1161 PolarHBondContact O-N 3.45Å; F1159-D1162 PolarHBondContact O-N 3.02Å; F1159-Q1163 HydrophobicContact CD1-CG 3.99Å; F1159-Q1163 HydrophobicContact CD2-CG 4.47Å; F1159-Q1163 HydrophobicContact CE1-CG 3.59Å; F1159-Q1163 HydrophobicContact CE2-CG 4.11Å; F1159-Q1163 HydrophobicContact CG-CG 4.41Å; F1159-Q1163 HydrophobicContact CZ-CG 3.65Å; F1159-Q1163 WeakPolarHBondContact O-CG 3.43Å; F1159-Q1163 PolarHBondContact O-N 3.18Å; F1159-L1184 HydrophobicContact CE1-CB 4.14Å; F1159-L1184 HydrophobicContact CE1-CD2 4.11Å; F1159-L1184 HydrophobicContact CE1-CG 4.25Å; F1159-L1184 HydrophobicContact CZ-CB 4.35Å; F1159-L1184 HydrophobicContact CZ-CD2 3.92Å; F1159-L1184 HydrophobicContact CZ-CG 3.99Å; F1159-L1185 HydrophobicContact CB-CD1 4.2Å; F1159-L1185 HydrophobicContact CD1-CB 4Å; F1159-L1185 HydrophobicContact CD1-CD1 4.27Å; F1159-L1185 HydrophobicContact CD2-CD1 3.72Å; F1159-L1185 HydrophobicContact CE1-CB 4.06Å; F1159-L1185 HydrophobicContact CE2-CD1 4.14Å; F1159-L1185 HydrophobicContact CG-CB 4.4Å; F1159-L1185 HydrophobicContact CG-CD1 3.81Å; F1159-Y1199 HydrophobicContact CB-CD1 4.12Å; F1159-Y1199 HydrophobicContact CB-CD2 4.15Å; F1159-Y1199 HydrophobicContact CB-CE1 4.24Å; F1159-Y1199 HydrophobicContact CB-CE2 4.25Å; F1159-Y1199 HydrophobicContact CB-CG 4.08Å; F1159-Y1199 AromaticContact CD2-CD2 3.69Å; F1159-Y1199 HydrophobicContact CD2-CD2 3.69Å; F1159-Y1199 AromaticContact CD2-CE2 3.44Å; F1159-Y1199 HydrophobicContact CD2-CE2 3.44Å; F1159-Y1199 VanDerWaalsContact CD2-CE2 3.44Å; F1159-Y1199 HydrophobicContact CD2-CG 4.46Å; F1159-Y1199 HydrophobicContact CE2-CE2 4.26Å; F1159-Y1199 HydrophobicContact CG-CD2 4.42Å; F1159-Y1199 HydrophobicContact CG-CE2 4.31Å
1160Y91.3Very high90.5Very high54 Ų5463.7 Ų63.721%0.21232%0.323CS..Hα-helixtrans-58.2-45.7-179.5-173.9-78.4000111.1N1156 D1157 Q1163 K1164 L1173N1156-Y1160 VanDerWaalsContact O-CB 3.23Å; N1156-Y1160 WeakPolarHBondContact O-CB 3.26Å; N1156-Y1160 PolarHBondContact O-N 3.42Å; D1157-Y1160 PolarHBondContact O-N 3.5Å; Y1160-Q1163 PolarHBondContact O-N 3.39Å; Y1160-K1164 HydrophobicContact CE1-CD 4.06Å; Y1160-K1164 WeakPolarHBondContact O-CB 3.28Å; Y1160-K1164 PolarHBondContact O-N 3.44Å; Y1160-L1173 HydrophobicContact CD2-CB 4.13Å; Y1160-L1173 HydrophobicContact CD2-CD1 4.47Å; Y1160-L1173 HydrophobicContact CE1-CD1 4.43Å; Y1160-L1173 HydrophobicContact CE2-CB 3.6Å; Y1160-L1173 HydrophobicContact CE2-CD1 4.19Å; Y1160-L1173 HydrophobicContact CE2-CG 4.44Å; Y1160-L1173 WeakPolarHBondContact CE2-O 3.36Å
1161K91.1Very high89.8Confident131 Ų13163.2 Ų63.257%0.5733%0.326SS*.Hα-helixtrans-62.3-50.1177.4-175-179.6176.7-177.50111.6D1157 F1159 Q1163 K1164 D1165D1157-K1161 WeakPolarHBondContact O-CB 3.2Å; D1157-K1161 PolarHBondContact O-N 2.96Å; F1159-K1161 VanDerWaalsContact C-N 3.32Å; F1159-K1161 PolarHBondContact O-N 3.45Å; K1161-Q1163 VanDerWaalsContact C-N 3.31Å; K1161-Q1163 PolarHBondContact O-N 3.31Å; K1161-K1164 PolarHBondContact O-N 2.83Å; K1161-D1165 WeakPolarHBondContact O-CB 3.32Å; K1161-D1165 VanDerWaalsContact O-CG 3.27Å; K1161-D1165 PolarHBondContact O-N 2.85Å
1162D91.9Very high89Confident54 Ų5466.4 Ų66.429%0.28934%0.343SS..Hα-helixtrans-59-41.7178.9-81.53.3000111.6M1158 F1159 D1165 L1166 Y1199M1158-D1162 WeakPolarHBondContact O-CB 3.42Å; M1158-D1162 PolarHBondContact O-N 3.09Å; F1159-D1162 PolarHBondContact O-N 3.02Å; D1162-D1165 PolarHBondContact O-N 3.11Å; D1162-L1166 WeakPolarHBondContact O-CB 3.45Å; D1162-L1166 WeakPolarHBondContact O-CD1 3.48Å; D1162-L1166 WeakPolarHBondContact O-CG 3.33Å; D1162-L1166 PolarHBondContact O-N 2.89Å; D1162-L1166 VanDerWaalsContact O-N 3.12Å; D1162-Y1199 HydrophobicContact CB-CE1 4.34Å; D1162-Y1199 VanDerWaalsContact CB-OH 3.3Å; D1162-Y1199 WeakPolarHBondContact CB-OH 3.46Å; D1162-Y1199 WeakPolarHBondContact OD2-CE1 3.5Å; D1162-Y1199 PolarHBondContact OD2-OH 2.98Å
1163Q90.3Very high88.3Confident28 Ų2866.5 Ų66.513%0.13134%0.343CS..Hα-helixtrans-67.5-39.6177.4-67-56.7-41.500112.3F1159 Y1160 K1161 L1166 G1167 A1168 L1173 L1184F1159-Q1163 HydrophobicContact CD1-CG 3.99Å; F1159-Q1163 HydrophobicContact CD2-CG 4.47Å; F1159-Q1163 HydrophobicContact CE1-CG 3.59Å; F1159-Q1163 HydrophobicContact CE2-CG 4.11Å; F1159-Q1163 HydrophobicContact CG-CG 4.41Å; F1159-Q1163 HydrophobicContact CZ-CG 3.65Å; F1159-Q1163 WeakPolarHBondContact O-CG 3.43Å; F1159-Q1163 PolarHBondContact O-N 3.18Å; Y1160-Q1163 PolarHBondContact O-N 3.39Å; K1161-Q1163 VanDerWaalsContact C-N 3.31Å; K1161-Q1163 PolarHBondContact O-N 3.31Å; Q1163-L1166 CarbonylContact O-C 3.55Å; Q1163-L1166 PolarHBondContact O-N 3.12Å; Q1163-G1167 PolarHBondContact O-N 3.25Å; Q1163-A1168 HydrophobicContact CB-CB 4.1Å; Q1163-A1168 VanDerWaalsContact O-CB 3.26Å; Q1163-A1168 WeakPolarHBondContact O-CB 3.41Å; Q1163-A1168 PolarHBondContact O-N 2.97Å; Q1163-L1173 HydrophobicContact CB-CD1 4.39Å; Q1163-L1173 HydrophobicContact CB-CD2 3.69Å; Q1163-L1173 HydrophobicContact CG-CD2 4.23Å; Q1163-L1184 HydrophobicContact CG-CD2 4.33Å
1164K88.3Confident87.9Confident111 Ų11168.1 Ų68.148%0.48335%0.351SS..Hα-helixtrans-65.4-41.4176.4-171.6167.7-176.61630111.7Y1160 K1161 L1166 G1167 L1173Y1160-K1164 HydrophobicContact CE1-CD 4.06Å; Y1160-K1164 WeakPolarHBondContact O-CB 3.28Å; Y1160-K1164 PolarHBondContact O-N 3.44Å; K1161-K1164 PolarHBondContact O-N 2.83Å; K1164-L1166 PolarHBondContact O-N 3.21Å; K1164-G1167 PolarHBondContact O-N 2.92Å; K1164-L1173 HydrophobicContact CB-CD1 4.22Å
1165D89.8Confident87.5Confident119 Ų11969.7 Ų69.764%0.63636%0.357SS*.Hα-helixtrans-65.2-26176.1-69.9-13.8000112K1161 D1162 G1167K1161-D1165 WeakPolarHBondContact O-CB 3.32Å; K1161-D1165 VanDerWaalsContact O-CG 3.27Å; K1161-D1165 PolarHBondContact O-N 2.85Å; D1162-D1165 PolarHBondContact O-N 3.11Å; D1165-G1167 VanDerWaalsContact C-N 3.31Å
1166L88.3Confident86.9Confident107 Ų10770.5 Ų70.556%0.5636%0.361SS*.THydrogen-bonded Turntrans-85.21.4173.5-68167.1000114D1162 Q1163 K1164 F1194D1162-L1166 WeakPolarHBondContact O-CB 3.45Å; D1162-L1166 WeakPolarHBondContact O-CD1 3.48Å; D1162-L1166 WeakPolarHBondContact O-CG 3.33Å; D1162-L1166 PolarHBondContact O-N 2.89Å; D1162-L1166 VanDerWaalsContact O-N 3.12Å; Q1163-L1166 CarbonylContact O-C 3.55Å; Q1163-L1166 PolarHBondContact O-N 3.12Å; K1164-L1166 PolarHBondContact O-N 3.21Å; L1166-F1194 HydrophobicContact CD1-CD1 4.34Å; L1166-F1194 HydrophobicContact CD1-CE1 3.35Å; L1166-F1194 HydrophobicContact CD1-CE2 4.28Å; L1166-F1194 HydrophobicContact CD1-CZ 3.31Å
1167G85.7Confident86.2Confident62 Ų6276.3 Ų76.364%0.63940%0.399SS*.THydrogen-bonded Turntrans86.321.8175.400000115.4Q1163 K1164 D1165Q1163-G1167 PolarHBondContact O-N 3.25Å; K1164-G1167 PolarHBondContact O-N 2.92Å; D1165-G1167 VanDerWaalsContact C-N 3.31Å
1168A84.3Confident85.5Confident27 Ų2774.7 Ų74.722%0.22340%0.395CS..  trans-64.8136.8173.500000111.7Q1163 L1173Q1163-A1168 HydrophobicContact CB-CB 4.1Å; Q1163-A1168 VanDerWaalsContact O-CB 3.26Å; Q1163-A1168 WeakPolarHBondContact O-CB 3.41Å; Q1163-A1168 PolarHBondContact O-N 2.97Å; A1168-L1173 HydrophobicContact CB-CD1 4.1Å; A1168-L1173 HydrophobicContact CB-CD2 4.26Å; A1168-L1173 HydrophobicContact CB-CG 4.14Å
1169E82Confident85.2Confident122 Ų12272.7 Ų72.757%0.5739%0.385SS*.  trans-72.4148179.3-63.1-174-158.600112.4H1171 I1172 L1173E1169-H1171 WeakPolarHBondContact CB-ND1 3.26Å; E1169-H1171 PolarHBondContact O-N 3.15Å; E1169-H1171 VanDerWaalsContact O-N 3.11Å; E1169-H1171 IonicContact OE2-CE1 2.58Å; E1169-H1171 PolarHBondContact OE2-CE1 3.39Å; E1169-H1171 IonicContact OE2-ND1 2.75Å; E1169-H1171 PolarHBondContact OE2-ND1 2.99Å; E1169-I1172 HydrophobicContact CB-CD1 4.4Å; E1169-I1172 HydrophobicContact CB-CG1 4.44Å; E1169-I1172 PolarHBondContact O-N 3.27Å; E1169-L1173 PolarHBondContact O-N 3.27Å
1170D78.3Confident84.8Confident114 Ų11473.9 Ų73.961%0.6140%0.398SS*.THydrogen-bonded Turntrans-59.1-28.2-175.7-73.9-31.8000113.2I1172 L1173D1170-I1172 VanDerWaalsContact C-N 3.32Å; D1170-I1172 PolarHBondContact O-N 2.89Å; D1170-L1173 PolarHBondContact O-N 3Å
1171H75.8Confident84.8Confident130 Ų13071.3 Ų71.360%0.60239%0.388SS*.THydrogen-bonded Turntrans-71.1-25177.879.4-93.7000113.2E1169E1169-H1171 WeakPolarHBondContact CB-ND1 3.26Å; E1169-H1171 PolarHBondContact O-N 3.15Å; E1169-H1171 VanDerWaalsContact O-N 3.11Å; E1169-H1171 IonicContact OE2-CE1 2.58Å; E1169-H1171 PolarHBondContact OE2-CE1 3.39Å; E1169-H1171 IonicContact OE2-ND1 2.75Å; E1169-H1171 PolarHBondContact OE2-ND1 2.99Å
1172I76.3Confident84.8Confident68 Ų6865 Ų6535%0.34936%0.361SS..THydrogen-bonded Turntrans-83.1-28177.3-54.5178.7000110.3E1169 D1170 E1174 L1184E1169-I1172 HydrophobicContact CB-CD1 4.4Å; E1169-I1172 HydrophobicContact CB-CG1 4.44Å; E1169-I1172 PolarHBondContact O-N 3.27Å; D1170-I1172 VanDerWaalsContact C-N 3.32Å; D1170-I1172 PolarHBondContact O-N 2.89Å; I1172-E1174 VanDerWaalsContact C-N 3.27Å; I1172-E1174 PolarHBondContact O-N 3.17Å; I1172-L1184 HydrophobicContact CG2-CD1 4.16Å; I1172-L1184 HydrophobicContact CG2-CD2 4.03Å
1173L81.8Confident84.5Confident3 Ų366.7 Ų66.72%0.01637%0.366CS..THydrogen-bonded Turntrans-91.421.8179.4-60.1179.9000113.4Y1160 Q1163 K1164 A1168 E1169 D1170 K1175 L1184Y1160-L1173 HydrophobicContact CD2-CB 4.13Å; Y1160-L1173 HydrophobicContact CD2-CD1 4.47Å; Y1160-L1173 HydrophobicContact CE1-CD1 4.43Å; Y1160-L1173 HydrophobicContact CE2-CB 3.6Å; Y1160-L1173 HydrophobicContact CE2-CD1 4.19Å; Y1160-L1173 HydrophobicContact CE2-CG 4.44Å; Y1160-L1173 WeakPolarHBondContact CE2-O 3.36Å; Q1163-L1173 HydrophobicContact CB-CD1 4.39Å; Q1163-L1173 HydrophobicContact CB-CD2 3.69Å; Q1163-L1173 HydrophobicContact CG-CD2 4.23Å; K1164-L1173 HydrophobicContact CB-CD1 4.22Å; A1168-L1173 HydrophobicContact CB-CD1 4.1Å; A1168-L1173 HydrophobicContact CB-CD2 4.26Å; A1168-L1173 HydrophobicContact CB-CG 4.14Å; E1169-L1173 PolarHBondContact O-N 3.27Å; D1170-L1173 PolarHBondContact O-N 3Å; L1173-K1175 PolarHBondContact O-N 2.97Å; L1173-L1184 HydrophobicContact CD2-CD2 4.32Å
1174E85.4Confident84.4Confident98 Ų9867.2 Ų67.246%0.45837%0.369SS..PPolyproline II helixtrans-55.4127.5177.8-164.9-166.7159.600110.5I1172 K1183I1172-E1174 VanDerWaalsContact C-N 3.27Å; I1172-E1174 PolarHBondContact O-N 3.17Å; E1174-K1183 HydrophobicContact CB-CD 4.37Å; E1174-K1183 WeakPolarHBondContact O-CG 3.4Å; E1174-K1183 PolarHBondContact O-N 3.32Å; E1174-K1183 IonicContact OE1-NZ 2.68Å; E1174-K1183 PolarHBondContact OE1-NZ 2.97Å; E1174-K1183 IonicContact OE2-NZ 2.77Å; E1174-K1183 PolarHBondContact OE2-NZ 2.96Å
1175K85.7Confident84.5Confident88 Ų8862.1 Ų62.138%0.38335%0.347SS..BIsolated β-bridgetrans-87.7138.5175.9-66.1-175.5175.1-165.20109.7D1157 L1173 P1177 V1181D1157-K1175 IonicContact OD1-NZ 2.78Å; L1173-K1175 PolarHBondContact O-N 2.97Å; K1175-P1177 WeakPolarHBondContact O-CD 3.47Å; K1175-V1181 WeakPolarHBondContact CA-O 3.47Å
1176D82.9Confident84.5Confident18 Ų1856.6 Ų56.610%0.09632%0.318CS..PPolyproline II helixtrans-60.8122.3167.2-177.1-32000108.6S1178 T1179 G1180 V1181 Y1186D1176-S1178 PolarHBondContact O-N 3.3Å; D1176-S1178 WeakPolarHBondContact OD1-CA 3.49Å; D1176-S1178 WeakPolarHBondContact OD1-CB 3.35Å; D1176-S1178 PolarHBondContact OD1-N 3.34Å; D1176-S1178 PolarHBondContact OD1-OG 2.93Å; D1176-T1179 WeakPolarHBondContact CB-OG1 3.47Å; D1176-T1179 PolarHBondContact O-N 3.35Å; D1176-G1180 VanDerWaalsContact O-CA 3.26Å; D1176-G1180 WeakPolarHBondContact O-CA 3.35Å; D1176-G1180 PolarHBondContact O-N 3.09Å; D1176-V1181 PolarHBondContact N-O 3.06Å; D1176-Y1186 HydrophobicContact CB-CE2 4.27Å
1177P80.4Confident84.5Confident121 Ų12152.5 Ų52.579%0.78630%0.296SS*.THydrogen-bonded Turntrans-65.7-21.2-177.325.8-34000113.4K1175K1175-P1177 WeakPolarHBondContact O-CD 3.47Å
1178S79.7Confident84.7Confident55 Ų5550.1 Ų50.139%0.38527%0.27SS..THydrogen-bonded Turntrans-86.9-35.9-179.4680000113.2Q1117 D1176Q1117-S1178 PolarHBondContact NE2-OG 2.96Å; D1176-S1178 PolarHBondContact O-N 3.3Å; D1176-S1178 WeakPolarHBondContact OD1-CA 3.49Å; D1176-S1178 WeakPolarHBondContact OD1-CB 3.35Å; D1176-S1178 PolarHBondContact OD1-N 3.34Å; D1176-S1178 PolarHBondContact OD1-OG 2.93Å
1179T85.8Confident84.9Confident13 Ų1350.3 Ų50.38%0.0827%0.271CS..THydrogen-bonded Turntrans-112.8-11.4-175.567.70000113.6Q1117 Y1120 H1153 D1176 V1181 Y1186Q1117-T1179 HydrophobicContact CG-CG2 4.27Å; Y1120-T1179 HydrophobicContact CD1-CG2 3.9Å; Y1120-T1179 HydrophobicContact CD2-CG2 4.21Å; Y1120-T1179 HydrophobicContact CG-CG2 3.76Å; H1153-T1179 PolarHBondContact CE1-O 3.18Å; D1176-T1179 WeakPolarHBondContact CB-OG1 3.47Å; D1176-T1179 PolarHBondContact O-N 3.35Å; T1179-V1181 PolarHBondContact O-N 3.17Å; T1179-V1181 VanDerWaalsContact O-N 3.11Å; T1179-V1181 PolarHBondContact OG1-N 3.22Å; T1179-Y1186 PolarHBondContact OG1-OH 2.74Å
1180G86.3Confident85Confident28 Ų2846.1 Ų46.129%0.28926%0.255SS..  trans67.24.6-175.600000115.1N1156 D1176N1156-G1180 PolarHBondContact ND2-O 3.01Å; D1176-G1180 VanDerWaalsContact O-CA 3.26Å; D1176-G1180 WeakPolarHBondContact O-CA 3.35Å; D1176-G1180 PolarHBondContact O-N 3.09Å
1181V91.2Very high85.3Confident0 Ų045.2 Ų45.20%026%0.257CS..  trans-85.9138.4180178.80000110.3Y1120 L1123 V1152 K1175 D1176 T1179 K1183 L1185 Y1186Y1120-V1181 HydrophobicContact CD2-CG2 4.01Å; Y1120-V1181 HydrophobicContact CE2-CG2 3.84Å; L1123-V1181 HydrophobicContact CD1-CG1 4.03Å; V1152-V1181 HydrophobicContact CG1-CG2 4.25Å; K1175-V1181 WeakPolarHBondContact CA-O 3.47Å; D1176-V1181 PolarHBondContact N-O 3.06Å; T1179-V1181 PolarHBondContact O-N 3.17Å; T1179-V1181 VanDerWaalsContact O-N 3.11Å; T1179-V1181 PolarHBondContact OG1-N 3.22Å; V1181-K1183 PolarHBondContact O-N 2.79Å; V1181-L1185 HydrophobicContact CG1-CB 4.35Å; V1181-L1185 HydrophobicContact CG1-CD2 4.02Å; V1181-Y1186 HydrophobicContact CB-CE1 4.41Å; V1181-Y1186 HydrophobicContact CB-CE2 3.8Å; V1181-Y1186 WeakPolarHBondContact CB-OH 3.41Å; V1181-Y1186 HydrophobicContact CG1-CD1 4.42Å; V1181-Y1186 HydrophobicContact CG1-CD2 4.24Å; V1181-Y1186 HydrophobicContact CG1-CE1 4.01Å; V1181-Y1186 HydrophobicContact CG1-CE2 3.79Å
1182C90.6Very high85.8Confident0 Ų041 Ų410%025%0.249CC..BIsolated β-bridgetrans-63.7128.3176.2-179.40000110.8N1156 L1184 L1185 Y1186N1156-C1182 VanDerWaalsContact OD1-CB 3.28Å; N1156-C1182 WeakPolarHBondContact OD1-CB 3.33Å; N1156-C1182 PolarHBondContact OD1-N 3.47Å; C1182-L1184 PolarHBondContact O-N 2.83Å; C1182-L1185 HydrophobicContact CB-CB 4.35Å; C1182-L1185 WeakPolarHBondContact O-CB 3.46Å; C1182-L1185 PolarHBondContact O-N 3.25Å; C1182-Y1186 PolarHBondContact O-N 3.25Å
1183K86.4Confident86Confident88 Ų8847.3 Ų47.338%0.38327%0.269SS..Hα-helixtrans-56.7-34.5179.1-71.5-177.2-172.1171.30112.6E1174 V1181 L1185 Y1186 D1187E1174-K1183 HydrophobicContact CB-CD 4.37Å; E1174-K1183 WeakPolarHBondContact O-CG 3.4Å; E1174-K1183 PolarHBondContact O-N 3.32Å; E1174-K1183 IonicContact OE1-NZ 2.68Å; E1174-K1183 PolarHBondContact OE1-NZ 2.97Å; E1174-K1183 IonicContact OE2-NZ 2.77Å; E1174-K1183 PolarHBondContact OE2-NZ 2.96Å; V1181-K1183 PolarHBondContact O-N 2.79Å; K1183-L1185 VanDerWaalsContact C-N 3.31Å; K1183-L1185 PolarHBondContact O-N 3.5Å; K1183-Y1186 WeakPolarHBondContact O-CB 3.4Å; K1183-Y1186 PolarHBondContact O-N 3.34Å; K1183-D1187 PolarHBondContact O-N 2.91Å
1184L88.3Confident86.1Confident39 Ų3950.7 Ų50.720%0.20428%0.283CS..Hα-helixtrans-66.4-31.1176.8-169.669.5000112.7F1159 Q1163 I1172 L1173 C1182 D1187 S1188F1159-L1184 HydrophobicContact CE1-CB 4.14Å; F1159-L1184 HydrophobicContact CE1-CD2 4.11Å; F1159-L1184 HydrophobicContact CE1-CG 4.25Å; F1159-L1184 HydrophobicContact CZ-CB 4.35Å; F1159-L1184 HydrophobicContact CZ-CD2 3.92Å; F1159-L1184 HydrophobicContact CZ-CG 3.99Å; Q1163-L1184 HydrophobicContact CG-CD2 4.33Å; I1172-L1184 HydrophobicContact CG2-CD1 4.16Å; I1172-L1184 HydrophobicContact CG2-CD2 4.03Å; L1173-L1184 HydrophobicContact CD2-CD2 4.32Å; C1182-L1184 PolarHBondContact O-N 2.83Å; L1184-D1187 CarbonylContact O-C 3.6Å; L1184-D1187 PolarHBondContact O-N 3.44Å; L1184-S1188 PolarHBondContact O-N 2.84Å
1185L90Very high86.3Confident5 Ų546.1 Ų46.13%0.02626%0.263CS..Hα-helixtrans-67-39.8175.1-177.864.2000110.8R1055 L1123 N1156 F1159 V1181 C1182 K1183 D1187 S1188R1055-L1185 PolarHBondContact NH1-O 3.22Å; L1123-L1185 HydrophobicContact CD1-CD2 4.46Å; N1156-L1185 HydrophobicContact CB-CD2 3.89Å; F1159-L1185 HydrophobicContact CB-CD1 4.2Å; F1159-L1185 HydrophobicContact CD1-CB 4Å; F1159-L1185 HydrophobicContact CD1-CD1 4.27Å; F1159-L1185 HydrophobicContact CD2-CD1 3.72Å; F1159-L1185 HydrophobicContact CE1-CB 4.06Å; F1159-L1185 HydrophobicContact CE2-CD1 4.14Å; F1159-L1185 HydrophobicContact CG-CB 4.4Å; F1159-L1185 HydrophobicContact CG-CD1 3.81Å; V1181-L1185 HydrophobicContact CG1-CB 4.35Å; V1181-L1185 HydrophobicContact CG1-CD2 4.02Å; C1182-L1185 HydrophobicContact CB-CB 4.35Å; C1182-L1185 WeakPolarHBondContact O-CB 3.46Å; C1182-L1185 PolarHBondContact O-N 3.25Å; K1183-L1185 VanDerWaalsContact C-N 3.31Å; K1183-L1185 PolarHBondContact O-N 3.5Å; L1185-D1187 PolarHBondContact O-N 2.86Å; L1185-S1188 WeakPolarHBondContact O-CB 3.37Å; L1185-S1188 PolarHBondContact O-N 3.33Å; L1185-S1188 VanDerWaalsContact O-N 3.09Å; L1185-S1188 PolarHBondContact O-OG 2.8Å
1186Y89.1Confident86.6Confident3 Ų342 Ų421%0.01225%0.245CC..Hα-helixtrans-61.9-23.6173.2-68.6-57.2000113.5W1051 L1052 R1055 E1119 Y1120 L1123 D1176 T1179 V1181 C1182 K1183W1051-Y1186 CarbonylContact C-O 3.53Å; L1052-Y1186 VanDerWaalsContact CA-O 3.23Å; L1052-Y1186 WeakPolarHBondContact CA-O 3.49Å; L1052-Y1186 HydrophobicContact CD1-CG 4.31Å; L1052-Y1186 PolarHBondContact N-O 2.62Å; R1055-Y1186 VanDerWaalsContact NH1-C 3.28Å; R1055-Y1186 PolarHBondContact NH1-O 3.15Å; E1119-Y1186 HydrophobicContact CB-CD1 3.92Å; E1119-Y1186 HydrophobicContact CB-CE1 4.14Å; E1119-Y1186 HydrophobicContact CB-CG 4.39Å; E1119-Y1186 HydrophobicContact CG-CD1 4.05Å; E1119-Y1186 HydrophobicContact CG-CD2 4.41Å; E1119-Y1186 HydrophobicContact CG-CE1 3.97Å; E1119-Y1186 HydrophobicContact CG-CE2 4.36Å; E1119-Y1186 HydrophobicContact CG-CG 4.29Å; Y1120-Y1186 WeakPolarHBondContact CB-OH 3.36Å; Y1120-Y1186 HydrophobicContact CD2-CE1 4.41Å; Y1120-Y1186 WeakPolarHBondContact CD2-OH 3.3Å; L1123-Y1186 HydrophobicContact CD1-CD1 3.43Å; L1123-Y1186 VanDerWaalsContact CD1-CD1 3.43Å; L1123-Y1186 HydrophobicContact CD1-CE1 3.35Å; L1123-Y1186 HydrophobicContact CD1-CG 4.49Å; L1123-Y1186 HydrophobicContact CG-CD1 3.97Å; L1123-Y1186 HydrophobicContact CG-CE1 4.02Å; D1176-Y1186 HydrophobicContact CB-CE2 4.27Å; T1179-Y1186 PolarHBondContact OG1-OH 2.74Å; V1181-Y1186 HydrophobicContact CB-CE1 4.41Å; V1181-Y1186 HydrophobicContact CB-CE2 3.8Å; V1181-Y1186 WeakPolarHBondContact CB-OH 3.41Å; V1181-Y1186 HydrophobicContact CG1-CD1 4.42Å; V1181-Y1186 HydrophobicContact CG1-CD2 4.24Å; V1181-Y1186 HydrophobicContact CG1-CE1 4.01Å; V1181-Y1186 HydrophobicContact CG1-CE2 3.79Å; C1182-Y1186 PolarHBondContact O-N 3.25Å; K1183-Y1186 WeakPolarHBondContact O-CB 3.4Å; K1183-Y1186 PolarHBondContact O-N 3.34Å
1187D88.3Confident87Confident20 Ų2042.9 Ų42.911%0.10725%0.249CC..THydrogen-bonded Turntrans-100.63.3176.3-162.642.1000113.9H1048 G1049 Q1050 W1051 L1052 K1183 L1184 L1185H1048-D1187 IonicContact CE1-OD2 3.57Å; H1048-D1187 IonicContact CG-OD2 3.57Å; H1048-D1187 IonicContact ND1-OD2 2.81Å; H1048-D1187 PolarHBondContact ND1-OD2 2.92Å; H1048-D1187 VanDerWaalsContact ND1-OD2 3.14Å; G1049-D1187 VanDerWaalsContact CA-CG 3.5Å; G1049-D1187 WeakPolarHBondContact CA-OD1 3.47Å; G1049-D1187 PolarHBondContact N-OD1 2.85Å; G1049-D1187 VanDerWaalsContact N-OD1 3.11Å; G1049-D1187 PolarHBondContact N-OD2 2.83Å; Q1050-D1187 PolarHBondContact N-OD1 3.41Å; W1051-D1187 WeakPolarHBondContact CB-O 3.4Å; W1051-D1187 PolarHBondContact N-OD1 2.93Å; W1051-D1187 VanDerWaalsContact N-OD1 3.15Å; L1052-D1187 HydrophobicContact CB-CB 4.07Å; L1052-D1187 PolarHBondContact N-OD1 3.4Å; L1052-D1187 VanDerWaalsContact N-OD1 3.13Å; K1183-D1187 PolarHBondContact O-N 2.91Å; L1184-D1187 CarbonylContact O-C 3.6Å; L1184-D1187 PolarHBondContact O-N 3.44Å; L1185-D1187 PolarHBondContact O-N 2.86Å
1188S89.4Confident87.6Confident13 Ų1339.3 Ų39.39%0.09123%0.225CC..SBendtrans-75140.9176.3720000111.4R1055 L1184 L1185 S1196R1055-S1188 PolarHBondContact NH1-O 3.08Å; R1055-S1188 PolarHBondContact NH2-O 2.96Å; L1184-S1188 PolarHBondContact O-N 2.84Å; L1185-S1188 WeakPolarHBondContact O-CB 3.37Å; L1185-S1188 PolarHBondContact O-N 3.33Å; L1185-S1188 VanDerWaalsContact O-N 3.09Å; L1185-S1188 PolarHBondContact O-OG 2.8Å; S1188-S1196 PolarHBondContact OG-N 2.81Å
1189A88.3Confident88.3Confident31 Ų3136.7 Ų36.726%0.25621%0.206SC..  trans-60.4147.3172.100000110.9W1051 S1191 G1195 S1196W1051-A1189 HydrophobicContact CD2-CB 4.39Å; W1051-A1189 HydrophobicContact CZ2-CB 3.98Å; A1189-S1191 VanDerWaalsContact C-N 3.29Å; A1189-S1191 PolarHBondContact O-N 3.29Å; A1189-G1195 CarbonylContact O-C 3.58Å; A1189-G1195 WeakPolarHBondContact O-CA 3.47Å; A1189-S1196 PolarHBondContact O-N 3.37Å
1190P85.8Confident88.7Confident34 Ų3436.3 Ų36.322%0.22120%0.204CC..SBendtrans-58.1-41.7176.4-27.234.7000112.8W1051 S1196 M1197W1051-P1190 VanDerWaalsContact CE3-CD 3.4Å; W1051-P1190 HydrophobicContact CE3-CG 3.99Å; W1051-P1190 VanDerWaalsContact CH2-CD 3.48Å; W1051-P1190 HydrophobicContact CH2-CG 4.14Å; W1051-P1190 HydrophobicContact CZ3-CG 3.69Å; P1190-S1196 WeakPolarHBondContact CA-OG 3.28Å; P1190-M1197 HydrophobicContact CB-CG 3.96Å; P1190-M1197 WeakPolarHBondContact O-CB 3.2Å; P1190-M1197 WeakPolarHBondContact O-CG 3.43Å; P1190-M1197 PolarHBondContact O-N 2.59Å
1191S84.2Confident89Confident95 Ų9538.2 Ų38.266%0.66421%0.21SC*.SBendtrans-104.7150.9-178.259.50000112.6A1189A1189-S1191 VanDerWaalsContact C-N 3.29Å; A1189-S1191 PolarHBondContact O-N 3.29Å
1192G85.3Confident89Confident42 Ų4242.8 Ų42.843%0.43323%0.23SC..SBendtrans125.4173.3173.400000112.3F1194 G1195 T1198G1192-F1194 PolarHBondContact O-N 3.19Å; G1192-G1195 PolarHBondContact O-N 2.87Å; G1192-T1198 PolarHBondContact O-OG1 3.08Å
1193R80.6Confident89.1Confident200 Ų20042.8 Ų42.876%0.75523%0.23SC*.THydrogen-bonded Turntrans-55.7-38.8-178.7-178.5177.5178173.9-0.3112.4
1194F85.5Confident89.3Confident74 Ų7439 Ų3933%0.32521%0.214SC..THydrogen-bonded Turntrans-108.321.2178.4-56.8-68.1000113.1L1166 G1192 Y1199L1166-F1194 HydrophobicContact CD1-CD1 4.34Å; L1166-F1194 HydrophobicContact CD1-CE1 3.35Å; L1166-F1194 HydrophobicContact CD1-CE2 4.28Å; L1166-F1194 HydrophobicContact CD1-CZ 3.31Å; G1192-F1194 PolarHBondContact O-N 3.19Å; F1194-Y1199 WeakPolarHBondContact CD1-OH 3.35Å
1195G89.1Confident89.2Confident2 Ų239.6 Ų39.62%0.02122%0.224CC..  trans-81.4152.5-17700000113.5A1189 G1192 M1197 T1198 Y1199A1189-G1195 CarbonylContact O-C 3.58Å; A1189-G1195 WeakPolarHBondContact O-CA 3.47Å; G1192-G1195 PolarHBondContact O-N 2.87Å; G1195-M1197 VanDerWaalsContact C-N 3.35Å; G1195-M1197 PolarHBondContact O-N 3.41Å; G1195-T1198 WeakPolarHBondContact O-CB 3.46Å; G1195-T1198 PolarHBondContact O-N 3.22Å; G1195-T1198 VanDerWaalsContact O-N 3.1Å; G1195-Y1199 WeakPolarHBondContact O-CD2 3.28Å; G1195-Y1199 PolarHBondContact O-N 3.41Å
1196S91.8Very high89.1Confident1 Ų140.5 Ų40.51%0.00723%0.233CC..Hα-helixtrans-55.4-45.6-177.464.10000112.6R1055 E1126 S1188 A1189 P1190 T1198 Y1199 L1200R1055-S1196 PolarHBondContact NH2-OG 2.81Å; E1126-S1196 WeakPolarHBondContact OE2-CB 3.26Å; E1126-S1196 PolarHBondContact OE2-OG 2.95Å; S1188-S1196 PolarHBondContact OG-N 2.81Å; A1189-S1196 PolarHBondContact O-N 3.37Å; P1190-S1196 WeakPolarHBondContact CA-OG 3.28Å; S1196-T1198 PolarHBondContact O-N 2.88Å; S1196-Y1199 PolarHBondContact O-N 3.48Å; S1196-L1200 WeakPolarHBondContact O-CB 3.17Å; S1196-L1200 VanDerWaalsContact O-CG 3.31Å; S1196-L1200 WeakPolarHBondContact O-CG 3.21Å; S1196-L1200 PolarHBondContact O-N 3.33Å
1197M91.3Very high88.9Confident36 Ų3641 Ų4118%0.17724%0.235CC..Hα-helixtrans-65.7-26.8-178.4-62.6-72.7-72.600112.5E1126 L1129 V1130 P1190 G1195 L1200 T1201E1126-M1197 HydrophobicContact CB-SD 3.83Å; E1126-M1197 HydrophobicContact CG-SD 4.13Å; L1129-M1197 HydrophobicContact CD2-CE 4.15Å; V1130-M1197 HydrophobicContact CG2-CE 3.36Å; V1130-M1197 HydrophobicContact CG2-SD 3.84Å; P1190-M1197 HydrophobicContact CB-CG 3.96Å; P1190-M1197 WeakPolarHBondContact O-CB 3.2Å; P1190-M1197 WeakPolarHBondContact O-CG 3.43Å; P1190-M1197 PolarHBondContact O-N 2.59Å; G1195-M1197 VanDerWaalsContact C-N 3.35Å; G1195-M1197 PolarHBondContact O-N 3.41Å; M1197-L1200 HydrophobicContact SD-CD1 4.36Å; M1197-T1201 VanDerWaalsContact O-CB 3.26Å; M1197-T1201 WeakPolarHBondContact O-CB 3.39Å; M1197-T1201 PolarHBondContact O-N 3.16Å; M1197-T1201 PolarHBondContact O-OG1 3.25Å
1198T92.4Very high88.3Confident46 Ų4640.3 Ų40.328%0.28223%0.231SC..Hα-helixtrans-67.9-45.4176-59.70000110.4G1192 G1195 S1196 T1201 K1202G1192-T1198 PolarHBondContact O-OG1 3.08Å; G1195-T1198 WeakPolarHBondContact O-CB 3.46Å; G1195-T1198 PolarHBondContact O-N 3.22Å; G1195-T1198 VanDerWaalsContact O-N 3.1Å; S1196-T1198 PolarHBondContact O-N 2.88Å; T1198-T1201 PolarHBondContact O-N 3.5Å; T1198-K1202 WeakPolarHBondContact O-CG 3.34Å; T1198-K1202 PolarHBondContact O-N 2.54Å; T1198-K1202 VanDerWaalsContact O-N 3.08Å
1199Y94.8Very high87.6Confident1 Ų144.5 Ų44.50%0.00425%0.249CC..Hα-helixtrans-72-38.5177.4-72.1-78.8000112.4M1158 F1159 D1162 F1194 G1195 S1196 T1201 K1202 A1203M1158-Y1199 HydrophobicContact CB-CD1 3.79Å; M1158-Y1199 HydrophobicContact CB-CE1 4.21Å; F1159-Y1199 HydrophobicContact CB-CD1 4.12Å; F1159-Y1199 HydrophobicContact CB-CD2 4.15Å; F1159-Y1199 HydrophobicContact CB-CE1 4.24Å; F1159-Y1199 HydrophobicContact CB-CE2 4.25Å; F1159-Y1199 HydrophobicContact CB-CG 4.08Å; F1159-Y1199 AromaticContact CD2-CD2 3.69Å; F1159-Y1199 HydrophobicContact CD2-CD2 3.69Å; F1159-Y1199 AromaticContact CD2-CE2 3.44Å; F1159-Y1199 HydrophobicContact CD2-CE2 3.44Å; F1159-Y1199 VanDerWaalsContact CD2-CE2 3.44Å; F1159-Y1199 HydrophobicContact CD2-CG 4.46Å; F1159-Y1199 HydrophobicContact CE2-CE2 4.26Å; F1159-Y1199 HydrophobicContact CG-CD2 4.42Å; F1159-Y1199 HydrophobicContact CG-CE2 4.31Å; D1162-Y1199 HydrophobicContact CB-CE1 4.34Å; D1162-Y1199 VanDerWaalsContact CB-OH 3.3Å; D1162-Y1199 WeakPolarHBondContact CB-OH 3.46Å; D1162-Y1199 WeakPolarHBondContact OD2-CE1 3.5Å; D1162-Y1199 PolarHBondContact OD2-OH 2.98Å; F1194-Y1199 WeakPolarHBondContact CD1-OH 3.35Å; G1195-Y1199 WeakPolarHBondContact O-CD2 3.28Å; G1195-Y1199 PolarHBondContact O-N 3.41Å; S1196-Y1199 PolarHBondContact O-N 3.48Å; Y1199-T1201 VanDerWaalsContact C-N 3.34Å; Y1199-T1201 PolarHBondContact O-N 3.37Å; Y1199-K1202 PolarHBondContact O-N 2.94Å; Y1199-A1203 WeakPolarHBondContact O-CB 3.46Å; Y1199-A1203 PolarHBondContact O-N 2.93Å
1200L94.5Very high86.6Confident5 Ų549.2 Ų49.23%0.02627%0.27CS..Hα-helixtrans-61.3-42.2173-69.7170.2000111.4E1126 A1127 V1130 V1152 A1155 S1196 M1197 A1203 V1204E1126-L1200 HydrophobicContact CB-CD1 3.66Å; A1127-L1200 HydrophobicContact CB-CD2 3.83Å; V1130-L1200 HydrophobicContact CG2-CB 4.07Å; V1152-L1200 HydrophobicContact CG2-CD2 4.12Å; A1155-L1200 HydrophobicContact CB-CD2 3.82Å; A1155-L1200 HydrophobicContact CB-CG 4.31Å; S1196-L1200 WeakPolarHBondContact O-CB 3.17Å; S1196-L1200 VanDerWaalsContact O-CG 3.31Å; S1196-L1200 WeakPolarHBondContact O-CG 3.21Å; S1196-L1200 PolarHBondContact O-N 3.33Å; M1197-L1200 HydrophobicContact SD-CD1 4.36Å; L1200-A1203 PolarHBondContact O-N 3.4Å; L1200-V1204 WeakPolarHBondContact O-CB 3.31Å; L1200-V1204 VanDerWaalsContact O-CG2 3.31Å; L1200-V1204 WeakPolarHBondContact O-CG2 3.41Å; L1200-V1204 PolarHBondContact O-N 2.63Å
1201T92.1Very high85.6Confident67 Ų6751.4 Ų51.441%0.41128%0.276SS..Hα-helixtrans-60.5-46.5173.8-57.90000112M1197 T1198 Y1199 A1203 V1204 A1205M1197-T1201 VanDerWaalsContact O-CB 3.26Å; M1197-T1201 WeakPolarHBondContact O-CB 3.39Å; M1197-T1201 PolarHBondContact O-N 3.16Å; M1197-T1201 PolarHBondContact O-OG1 3.25Å; T1198-T1201 PolarHBondContact O-N 3.5Å; Y1199-T1201 VanDerWaalsContact C-N 3.34Å; Y1199-T1201 PolarHBondContact O-N 3.37Å; T1201-A1203 VanDerWaalsContact C-N 3.34Å; T1201-A1203 PolarHBondContact O-N 2.8Å; T1201-V1204 PolarHBondContact O-N 3.29Å; T1201-A1205 WeakPolarHBondContact O-CB 3.15Å; T1201-A1205 PolarHBondContact O-N 3.42Å
1202K91.6Very high84.5Confident97 Ų9747.9 Ų47.942%0.42225%0.25SS..Hα-helixtrans-60.8-43175.9-72.2175179.8179.80112M1158 T1198 Y1199 A1205 A1206M1158-K1202 HydrophobicContact SD-CB 3.92Å; T1198-K1202 WeakPolarHBondContact O-CG 3.34Å; T1198-K1202 PolarHBondContact O-N 2.54Å; T1198-K1202 VanDerWaalsContact O-N 3.08Å; Y1199-K1202 PolarHBondContact O-N 2.94Å; K1202-A1205 PolarHBondContact O-N 2.83Å; K1202-A1206 WeakPolarHBondContact O-CB 3.48Å; K1202-A1206 PolarHBondContact O-N 3.2Å
1203A93.1Very high83.1Confident0 Ų050.5 Ų50.50%026%0.259CS..Hα-helixtrans-66.1-44.3178.700000111.7I1151 Q1154 A1155 Y1199 L1200 T1201 A1205 A1206 Y1207I1151-A1203 HydrophobicContact CG2-CB 4.02Å; I1151-A1203 WeakPolarHBondContact O-CB 3.35Å; Q1154-A1203 HydrophobicContact CB-CB 4.14Å; Q1154-A1203 HydrophobicContact CG-CB 4.22Å; Q1154-A1203 PolarHBondContact OE1-O 2.9Å; A1155-A1203 HydrophobicContact CB-CB 3.78Å; Y1199-A1203 WeakPolarHBondContact O-CB 3.46Å; Y1199-A1203 PolarHBondContact O-N 2.93Å; L1200-A1203 PolarHBondContact O-N 3.4Å; T1201-A1203 VanDerWaalsContact C-N 3.34Å; T1201-A1203 PolarHBondContact O-N 2.8Å; A1203-A1205 VanDerWaalsContact C-N 3.34Å; A1203-A1205 PolarHBondContact O-N 3.13Å; A1203-A1206 PolarHBondContact O-N 3.31Å; A1203-Y1207 WeakPolarHBondContact O-CB 3.28Å; A1203-Y1207 PolarHBondContact O-N 3.26Å
1204V89.8Confident81.7Confident7 Ų747.6 Ų47.64%0.04227%0.269CS..Hα-helixtrans-59.5-45.6174.6167.40000111V1130 L1131 L1134 I1151 L1200 T1201 Y1207 V1208V1130-V1204 HydrophobicContact CB-CG2 4.27Å; V1130-V1204 HydrophobicContact CG1-CB 3.98Å; V1130-V1204 HydrophobicContact CG1-CG1 4.37Å; V1130-V1204 HydrophobicContact CG1-CG2 3.71Å; L1131-V1204 HydrophobicContact CD2-CB 4.45Å; L1131-V1204 HydrophobicContact CD2-CG1 3.77Å; L1131-V1204 HydrophobicContact CD2-CG2 3.88Å; L1131-V1204 HydrophobicContact CG-CG1 4.46Å; L1131-V1204 HydrophobicContact CG-CG2 3.88Å; L1134-V1204 HydrophobicContact CD1-CG1 3.82Å; I1151-V1204 HydrophobicContact CD1-CG2 4.32Å; I1151-V1204 HydrophobicContact CG2-CG2 3.62Å; L1200-V1204 WeakPolarHBondContact O-CB 3.31Å; L1200-V1204 VanDerWaalsContact O-CG2 3.31Å; L1200-V1204 WeakPolarHBondContact O-CG2 3.41Å; L1200-V1204 PolarHBondContact O-N 2.63Å; T1201-V1204 PolarHBondContact O-N 3.29Å; V1204-Y1207 PolarHBondContact O-N 3.43Å; V1204-V1208 HydrophobicContact CG1-CG2 4.22Å; V1204-V1208 WeakPolarHBondContact O-CB 3.49Å; V1204-V1208 VanDerWaalsContact O-CG2 3.23Å; V1204-V1208 WeakPolarHBondContact O-CG2 3.11Å; V1204-V1208 PolarHBondContact O-N 3.37Å
1205A86.7Confident80Confident52 Ų5247.3 Ų47.343%0.4329%0.288SS..Hα-helixtrans-60.9-46.6178.100000111.9T1201 K1202 A1203 Q1209T1201-A1205 WeakPolarHBondContact O-CB 3.15Å; T1201-A1205 PolarHBondContact O-N 3.42Å; K1202-A1205 PolarHBondContact O-N 2.83Å; A1203-A1205 VanDerWaalsContact C-N 3.34Å; A1203-A1205 PolarHBondContact O-N 3.13Å; A1205-Q1209 VanDerWaalsContact O-CG 3.31Å; A1205-Q1209 WeakPolarHBondContact O-CG 3.17Å; A1205-Q1209 PolarHBondContact O-N 3.24Å; A1205-Q1209 VanDerWaalsContact O-N 3.09Å
1206A87.1Confident78.1Confident24 Ų2448.5 Ų48.520%0.19830%0.298CS..Hα-helixtrans-63.8-45.6176.700000112M1158 K1202 A1203 V1208 Q1209M1158-A1206 HydrophobicContact CE-CB 4.16Å; K1202-A1206 WeakPolarHBondContact O-CB 3.48Å; K1202-A1206 PolarHBondContact O-N 3.2Å; A1203-A1206 PolarHBondContact O-N 3.31Å; A1206-V1208 PolarHBondContact O-N 3.44Å; A1206-Q1209 PolarHBondContact O-N 2.9Å
1207Y85.4Confident76.1Confident14 Ų1453.5 Ų53.56%0.05533%0.331CS..Hα-helixtrans-61.9-43.8-179.7-170-85.5000111.4V1146 H1147 R1150 I1151 A1203 V1204 D1210 F1211V1146-Y1207 HydrophobicContact CG1-CD1 4.47Å; V1146-Y1207 HydrophobicContact CG1-CE1 3.99Å; H1147-Y1207 PolarHBondContact N-OH 2.73Å; R1150-Y1207 HydrophobicContact CB-CE2 3.95Å; I1151-Y1207 HydrophobicContact CD1-CD1 4.11Å; I1151-Y1207 HydrophobicContact CD1-CE1 4.49Å; I1151-Y1207 HydrophobicContact CD1-CG 4.19Å; I1151-Y1207 HydrophobicContact CG1-CD1 4.13Å; I1151-Y1207 HydrophobicContact CG1-CD2 3.82Å; I1151-Y1207 HydrophobicContact CG1-CE2 4.34Å; I1151-Y1207 HydrophobicContact CG1-CG 3.72Å; A1203-Y1207 WeakPolarHBondContact O-CB 3.28Å; A1203-Y1207 PolarHBondContact O-N 3.26Å; V1204-Y1207 PolarHBondContact O-N 3.43Å; Y1207-D1210 PolarHBondContact O-N 3.29Å; Y1207-F1211 HydrophobicContact CD1-CD2 4.06Å; Y1207-F1211 AromaticContact CD1-CE2 3.78Å; Y1207-F1211 HydrophobicContact CD1-CE2 3.78Å; Y1207-F1211 AromaticContact CE1-CD2 3.88Å; Y1207-F1211 HydrophobicContact CE1-CD2 3.88Å; Y1207-F1211 AromaticContact CE1-CE2 3.29Å; Y1207-F1211 HydrophobicContact CE1-CE2 3.29Å; Y1207-F1211 HydrophobicContact CE1-CZ 4.16Å; Y1207-F1211 HydrophobicContact CE2-CE2 4.31Å; Y1207-F1211 HydrophobicContact CG-CE2 4.44Å; Y1207-F1211 AromaticContact CZ-CE2 3.59Å; Y1207-F1211 WeakPolarHBondContact O-CD2 3.5Å
1208V76.6Confident73.9Confident5 Ų556.6 Ų56.63%0.0336%0.363CS..Hα-helixtrans-73.9-31.8-178173.80000112L1134 V1204 A1206 D1210 F1211 L1212L1134-V1208 HydrophobicContact CD1-CG1 4.42Å; L1134-V1208 HydrophobicContact CD1-CG2 3.66Å; V1204-V1208 HydrophobicContact CG1-CG2 4.22Å; V1204-V1208 WeakPolarHBondContact O-CB 3.49Å; V1204-V1208 VanDerWaalsContact O-CG2 3.23Å; V1204-V1208 WeakPolarHBondContact O-CG2 3.11Å; V1204-V1208 PolarHBondContact O-N 3.37Å; A1206-V1208 PolarHBondContact O-N 3.44Å; V1208-D1210 PolarHBondContact O-N 3.22Å; V1208-F1211 PolarHBondContact O-N 2.87Å; V1208-L1212 HydrophobicContact CG1-CD1 3.95Å; V1208-L1212 HydrophobicContact CG1-CD2 4.47Å; V1208-L1212 HydrophobicContact CG1-CG 4.01Å; V1208-L1212 WeakPolarHBondContact O-CG 3.16Å; V1208-L1212 PolarHBondContact O-N 3.07Å
1209Q72.9Confident71.6Confident102 Ų10256.6 Ų56.648%0.47736%0.362SS..Hα-helixtrans-55.7-34.3172.4-82.7178.7-3.800112.5A1205 A1206 F1211A1205-Q1209 VanDerWaalsContact O-CG 3.31Å; A1205-Q1209 WeakPolarHBondContact O-CG 3.17Å; A1205-Q1209 PolarHBondContact O-N 3.24Å; A1205-Q1209 VanDerWaalsContact O-N 3.09Å; A1206-Q1209 PolarHBondContact O-N 2.9Å; Q1209-F1211 PolarHBondContact O-N 3.23Å
1210D68Low69.3Low129 Ų12964.4 Ų64.469%0.6940%0.399SS*.THydrogen-bonded Turntrans-69.5-17178.5-65.8-24.5000113.5Y1207 V1208Y1207-D1210 PolarHBondContact O-N 3.29Å; V1208-D1210 PolarHBondContact O-N 3.22Å
1211F64.1Low68Low80 Ų8067.4 Ų67.435%0.35142%0.417SS..THydrogen-bonded Turntrans-110.6-11.1-177-67-76.6000114.6S1144 Y1207 V1208 Q1209S1144-F1211 WeakPolarHBondContact OG-CD1 3.26Å; S1144-F1211 WeakPolarHBondContact OG-CE1 3.5Å; Y1207-F1211 HydrophobicContact CD1-CD2 4.06Å; Y1207-F1211 AromaticContact CD1-CE2 3.78Å; Y1207-F1211 HydrophobicContact CD1-CE2 3.78Å; Y1207-F1211 AromaticContact CE1-CD2 3.88Å; Y1207-F1211 HydrophobicContact CE1-CD2 3.88Å; Y1207-F1211 AromaticContact CE1-CE2 3.29Å; Y1207-F1211 HydrophobicContact CE1-CE2 3.29Å; Y1207-F1211 HydrophobicContact CE1-CZ 4.16Å; Y1207-F1211 HydrophobicContact CE2-CE2 4.31Å; Y1207-F1211 HydrophobicContact CG-CE2 4.44Å; Y1207-F1211 AromaticContact CZ-CE2 3.59Å; Y1207-F1211 WeakPolarHBondContact O-CD2 3.5Å; V1208-F1211 PolarHBondContact O-N 2.87Å; Q1209-F1211 PolarHBondContact O-N 3.23Å
1212L61.6Low66.7Low22 Ų2267.4 Ų67.412%0.11542%0.418CS..SBendtrans-77.6135.1179.3-71.8167.5000110.9I1139 V1208 A1216 V1219I1139-L1212 HydrophobicContact CG2-CD2 4.26Å; V1208-L1212 HydrophobicContact CG1-CD1 3.95Å; V1208-L1212 HydrophobicContact CG1-CD2 4.47Å; V1208-L1212 HydrophobicContact CG1-CG 4.01Å; V1208-L1212 WeakPolarHBondContact O-CG 3.16Å; V1208-L1212 PolarHBondContact O-N 3.07Å; L1212-A1216 HydrophobicContact CB-CB 4.42Å; L1212-A1216 HydrophobicContact CD2-CB 4.36Å; L1212-V1219 HydrophobicContact CD1-CB 4.01Å; L1212-V1219 HydrophobicContact CD1-CG1 3.56Å; L1212-V1219 HydrophobicContact CD2-CG1 4.38Å
1213P56.4Low65.4Low96 Ų9665.7 Ų65.762%0.62342%0.417SS*.  trans-61.3147172.823.7-30000110.2G1215 A1216P1213-G1215 PolarHBondContact O-N 3.34Å; P1213-A1216 PolarHBondContact O-N 2.83Å
1214S50.8Low63.7Low139 Ų13969.6 Ų69.697%0.97244%0.442SS*.THydrogen-bonded Turntrans-60.814.2-168.7-29.20000116.9
1215G50.5Low62.1Low69 Ų6973.5 Ų73.571%0.71147%0.467SS*.THydrogen-bonded Turntrans-1316.6179.700000115.7P1213 C1217P1213-G1215 PolarHBondContact O-N 3.34Å; G1215-C1217 VanDerWaalsContact C-N 3.3Å; G1215-C1217 PolarHBondContact O-N 3.04Å
1216A49.1Very low60.5Low27 Ų2774.9 Ų74.922%0.22347%0.469CS..  trans-81.366.9179.700000112.9L1212 P1213 A1218 V1219L1212-A1216 HydrophobicContact CB-CB 4.42Å; L1212-A1216 HydrophobicContact CD2-CB 4.36Å; P1213-A1216 PolarHBondContact O-N 2.83Å; A1216-A1218 VanDerWaalsContact C-N 3.28Å; A1216-A1218 PolarHBondContact O-N 3.44Å; A1216-V1219 PolarHBondContact O-N 3.19Å
1217C48.3Very low58.5Low106 Ų10678.6 Ų78.672%0.71649%0.489SS*.THydrogen-bonded Turntrans-68.9-16.5-173.6-157.20000114.9G1215G1215-C1217 VanDerWaalsContact C-N 3.3Å; G1215-C1217 PolarHBondContact O-N 3.04Å
1218A46.9Very low56.5Low101 Ų10183.5 Ų83.584%0.83552%0.522SS*.THydrogen-bonded Turntrans-86.2-12.1179.900000113.9A1216A1216-A1218 VanDerWaalsContact C-N 3.28Å; A1216-A1218 PolarHBondContact O-N 3.44Å
1219V44.1Very low54.8Low45 Ų4590.1 Ų90.127%0.27356%0.563SS.*THydrogen-bonded Turntrans-105.3-32.6-176.1-177.40000111.9V1137 I1139 L1212 A1216V1137-V1219 HydrophobicContact CG1-CG2 4.18Å; I1139-V1219 HydrophobicContact CD1-CB 4.14Å; I1139-V1219 HydrophobicContact CD1-CG1 3.48Å; I1139-V1219 VanDerWaalsContact CD1-CG1 3.48Å; I1139-V1219 HydrophobicContact CD1-CG2 3.46Å; I1139-V1219 VanDerWaalsContact CD1-CG2 3.46Å; I1139-V1219 HydrophobicContact CG1-CG1 4.49Å; I1139-V1219 HydrophobicContact CG1-CG2 3.54Å; L1212-V1219 HydrophobicContact CD1-CB 4.01Å; L1212-V1219 HydrophobicContact CD1-CG1 3.56Å; L1212-V1219 HydrophobicContact CD2-CG1 4.38Å; A1216-V1219 PolarHBondContact O-N 3.19Å
1220Q45Very low53.2Low165 Ų16589 Ų8977%0.77157%0.571SS**  trans-66.60167.1-77.5-178.4-2800110.6

Retrieved 1,220 of 1,220 residues in 450.7 ms (Link to these results)

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