G4VJ86_SCHMA Loading...

Serine/threonine-protein

AlphaFold DB , UniProt , Accession G4VJ86, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 425 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M49.7Very low49.5Very low129 Ų12983.2 Ų83.264%0.63543%0.43SS*.  0102.90-154175.7-70.300105.7E5 L6 L9 I198M1-E5 WeakPolarHBondContact CA-OE2 3.14Å; M1-E5 HydrophobicContact CG-CB 3.48Å; M1-E5 VanDerWaalsContact CG-CB 3.48Å; M1-L6 HydrophobicContact CG-CB 4.27Å; M1-L6 HydrophobicContact SD-CB 4.16Å; M1-L6 HydrophobicContact SD-CD1 3.77Å; M1-L9 HydrophobicContact CE-CD1 4.33Å; M1-I198 HydrophobicContact CE-CD1 4.45Å; M1-I198 HydrophobicContact SD-CD1 4.15Å
2D47.1Very low49.8Very low99 Ų9980.8 Ų80.853%0.52942%0.415SS..  trans-70.5165.917057.934.1000109.4C4 E5 L6D2-C4 PolarHBondContact O-N 3.3Å; D2-C4 VanDerWaalsContact O-N 3.09Å; D2-C4 WeakPolarHBondContact OD1-CB 3.5Å; D2-C4 PolarHBondContact OD1-N 3.07Å; D2-E5 PolarHBondContact O-N 2.77Å; D2-E5 WeakPolarHBondContact OD1-CB 3.37Å; D2-E5 PolarHBondContact OD1-N 2.78Å; D2-L6 PolarHBondContact O-N 2.68Å; D2-L6 VanDerWaalsContact O-N 3.07Å
3D45.1Very low49.6Very low130 Ų13079.8 Ų79.870%0.69541%0.411SS*.Hα-helixtrans-57.7-26-177.4-76-33.5000112.4D7D3-D7 WeakPolarHBondContact O-CB 3.35Å; D3-D7 PolarHBondContact O-N 3.42Å
4C47.8Very low49.5Very low86 Ų8684.5 Ų84.558%0.58143%0.43SS*.Hα-helixtrans-72.8-47.7178.4-166.40000112D2 L6 D7 L8D2-C4 PolarHBondContact O-N 3.3Å; D2-C4 VanDerWaalsContact O-N 3.09Å; D2-C4 WeakPolarHBondContact OD1-CB 3.5Å; D2-C4 PolarHBondContact OD1-N 3.07Å; C4-L6 PolarHBondContact O-N 3.48Å; C4-D7 PolarHBondContact O-N 2.89Å; C4-L8 PolarHBondContact O-N 2.95Å
5E48.9Very low49.5Very low108 Ų10882.5 Ų82.551%0.50543%0.431SS..Hα-helixtrans-60.8-35.3173-79.7-172.1147.500111.5M1 D2 L8 L9M1-E5 WeakPolarHBondContact CA-OE2 3.14Å; M1-E5 HydrophobicContact CG-CB 3.48Å; M1-E5 VanDerWaalsContact CG-CB 3.48Å; D2-E5 PolarHBondContact O-N 2.77Å; D2-E5 WeakPolarHBondContact OD1-CB 3.37Å; D2-E5 PolarHBondContact OD1-N 2.78Å; E5-L8 PolarHBondContact O-N 2.86Å; E5-L9 WeakPolarHBondContact O-CB 3.24Å; E5-L9 PolarHBondContact O-N 3.24Å
6L46.3Very low49.3Very low11 Ų1185.6 Ų85.66%0.05845%0.448CS..Hα-helixtrans-69.4-43.3178.4-174.662.2000112.2M1 D2 C4 L8 L9 L10 I198M1-L6 HydrophobicContact CG-CB 4.27Å; M1-L6 HydrophobicContact SD-CB 4.16Å; M1-L6 HydrophobicContact SD-CD1 3.77Å; D2-L6 PolarHBondContact O-N 2.68Å; D2-L6 VanDerWaalsContact O-N 3.07Å; C4-L6 PolarHBondContact O-N 3.48Å; L6-L8 VanDerWaalsContact C-N 3.31Å; L6-L9 WeakPolarHBondContact O-CB 2.97Å; L6-L9 PolarHBondContact O-N 3.42Å; L6-L10 HydrophobicContact CG-CD1 4.29Å; L6-L10 WeakPolarHBondContact O-CB 3.4Å; L6-L10 WeakPolarHBondContact O-CG 3.46Å; L6-L10 PolarHBondContact O-N 2.84Å; L6-I198 HydrophobicContact CD1-CB 4.39Å; L6-I198 HydrophobicContact CD1-CD1 3.95Å; L6-I198 HydrophobicContact CD1-CG2 3.65Å; L6-I198 HydrophobicContact CD2-CG2 3.64Å; L6-I198 HydrophobicContact CG-CG2 4.31Å
7D52.6Low49.3Very low82 Ų8287.3 Ų87.344%0.43945%0.448SS..Hα-helixtrans-67.5-31.6175.1-87.1-5.1000112.2D3 C4 K11 R199D3-D7 WeakPolarHBondContact O-CB 3.35Å; D3-D7 PolarHBondContact O-N 3.42Å; C4-D7 PolarHBondContact O-N 2.89Å; D7-K11 VanDerWaalsContact O-CB 3.3Å; D7-K11 WeakPolarHBondContact O-CB 3.41Å; D7-K11 VanDerWaalsContact O-CG 3.31Å; D7-K11 WeakPolarHBondContact O-CG 3.44Å; D7-K11 PolarHBondContact O-N 3.1Å; D7-R199 IonicContact OD1-NH2 2.97Å; D7-R199 PolarHBondContact OD1-NH2 3.05Å
8L54.9Low49.1Very low82 Ų8288.3 Ų88.343%0.42946%0.46SS..Hα-helixtrans-64.7-46.4168.8-90.2152.9000111.5C4 E5 L6 L10 K11 E12C4-L8 PolarHBondContact O-N 2.95Å; E5-L8 PolarHBondContact O-N 2.86Å; L6-L8 VanDerWaalsContact C-N 3.31Å; L8-L10 VanDerWaalsContact C-N 3.29Å; L8-L10 PolarHBondContact O-N 3.37Å; L8-K11 PolarHBondContact O-N 2.86Å; L8-E12 WeakPolarHBondContact O-CB 3.14Å; L8-E12 VanDerWaalsContact O-CG 3.24Å; L8-E12 WeakPolarHBondContact O-CG 3.29Å; L8-E12 PolarHBondContact O-N 2.54Å
9L49.3Very low48.9Very low26 Ų2689.9 Ų89.914%0.13647%0.469CS..Hα-helixtrans-60.9-40.5177.6-157.5102.2000111.6M1 E5 L6 E12 L13 L193 V195M1-L9 HydrophobicContact CE-CD1 4.33Å; E5-L9 WeakPolarHBondContact O-CB 3.24Å; E5-L9 PolarHBondContact O-N 3.24Å; L6-L9 WeakPolarHBondContact O-CB 2.97Å; L6-L9 PolarHBondContact O-N 3.42Å; L9-E12 PolarHBondContact O-N 2.93Å; L9-L13 HydrophobicContact CD2-CD1 4.33Å; L9-L13 VanDerWaalsContact O-CG 3.24Å; L9-L13 WeakPolarHBondContact O-CG 3.31Å; L9-L13 PolarHBondContact O-N 3.32Å; L9-L193 HydrophobicContact CD1-CD1 4.13Å; L9-V195 HydrophobicContact CD2-CG1 4.06Å
10L49.6Very low48.6Very low18 Ų1887.2 Ų87.29%0.09446%0.459CS..Hα-helixtrans-68.3-46.4176.2-76.7164.1000111.8L6 L8 E12 L13 E14 V195L6-L10 HydrophobicContact CG-CD1 4.29Å; L6-L10 WeakPolarHBondContact O-CB 3.4Å; L6-L10 WeakPolarHBondContact O-CG 3.46Å; L6-L10 PolarHBondContact O-N 2.84Å; L8-L10 VanDerWaalsContact C-N 3.29Å; L8-L10 PolarHBondContact O-N 3.37Å; L10-E12 PolarHBondContact O-N 3.15Å; L10-L13 CarbonylContact O-C 3.57Å; L10-L13 WeakPolarHBondContact O-CB 3.41Å; L10-L13 PolarHBondContact O-N 3.22Å; L10-E14 WeakPolarHBondContact O-CB 3.41Å; L10-E14 WeakPolarHBondContact O-CG 3.48Å; L10-E14 PolarHBondContact O-N 3.25Å; L10-V195 HydrophobicContact CD2-CG1 4.45Å
11K53.2Low48.3Very low144 Ų14485.2 Ų85.263%0.62645%0.449SS*.Hα-helixtrans-58-38.6172.5-81.4178177.7175.90111.6D7 L8 L13 E14 A15D7-K11 VanDerWaalsContact O-CB 3.3Å; D7-K11 WeakPolarHBondContact O-CB 3.41Å; D7-K11 VanDerWaalsContact O-CG 3.31Å; D7-K11 WeakPolarHBondContact O-CG 3.44Å; D7-K11 PolarHBondContact O-N 3.1Å; L8-K11 PolarHBondContact O-N 2.86Å; K11-L13 VanDerWaalsContact C-N 3.33Å; K11-E14 CarbonylContact O-C 3.55Å; K11-E14 PolarHBondContact O-N 2.79Å; K11-A15 WeakPolarHBondContact O-CA 3.44Å; K11-A15 WeakPolarHBondContact O-CB 3.14Å; K11-A15 PolarHBondContact O-N 3.47Å
12E52.9Low48.1Very low54 Ų5486.6 Ų86.625%0.25245%0.452SS..Hα-helixtrans-74.6-22.2176.9-68.4167.3123.300113.7L8 L9 L10 Y23 R89L8-E12 WeakPolarHBondContact O-CB 3.14Å; L8-E12 VanDerWaalsContact O-CG 3.24Å; L8-E12 WeakPolarHBondContact O-CG 3.29Å; L8-E12 PolarHBondContact O-N 2.54Å; L9-E12 PolarHBondContact O-N 2.93Å; L10-E12 PolarHBondContact O-N 3.15Å; E12-Y23 WeakPolarHBondContact OE1-CE1 3.48Å; E12-R89 IonicContact OE1-CZ 3.43Å; E12-R89 VanDerWaalsContact OE1-CZ 3.29Å; E12-R89 IonicContact OE1-NE 3.34Å; E12-R89 IonicContact OE1-NH1 2.73Å; E12-R89 PolarHBondContact OE1-NH1 3.07Å; E12-R89 IonicContact OE1-NH2 3.09Å; E12-R89 PolarHBondContact OE1-NH2 3.32Å; E12-R89 IonicContact OE2-CZ 2.75Å; E12-R89 IonicContact OE2-NH1 2.57Å; E12-R89 PolarHBondContact OE2-NH1 2.84Å; E12-R89 IonicContact OE2-NH2 3.94Å; E12-R89 PolarHBondContact OE2-NH2 3.42Å
13L47.9Very low48Very low69 Ų6986.4 Ų86.436%0.36144%0.444SS..Hα-helixtrans-78.4-28.8170.5-74.1167.8000111.8L9 L10 K11 V195L9-L13 HydrophobicContact CD2-CD1 4.33Å; L9-L13 VanDerWaalsContact O-CG 3.24Å; L9-L13 WeakPolarHBondContact O-CG 3.31Å; L9-L13 PolarHBondContact O-N 3.32Å; L10-L13 CarbonylContact O-C 3.57Å; L10-L13 WeakPolarHBondContact O-CB 3.41Å; L10-L13 PolarHBondContact O-N 3.22Å; K11-L13 VanDerWaalsContact C-N 3.33Å; L13-V195 HydrophobicContact CD1-CG1 3.94Å
14E48.6Very low48Very low145 Ų14581.3 Ų81.368%0.67842%0.418SS*.Hα-helixtrans-100.1-14.7-176.4-67.8175.4172.700113.8L10 K11L10-E14 WeakPolarHBondContact O-CB 3.41Å; L10-E14 WeakPolarHBondContact O-CG 3.48Å; L10-E14 PolarHBondContact O-N 3.25Å; K11-E14 CarbonylContact O-C 3.55Å; K11-E14 PolarHBondContact O-N 2.79Å
15A48.3Very low48Very low54 Ų5482 Ų8245%0.44642%0.415SS..  trans-81.2126.6-172.900000113.3K11K11-A15 WeakPolarHBondContact O-CA 3.44Å; K11-A15 WeakPolarHBondContact O-CB 3.14Å; K11-A15 PolarHBondContact O-N 3.47Å
16D47.1Very low48.2Very low132 Ų13284.7 Ų84.771%0.70642%0.421SS*.  trans-47.6145.7163.6-105.1-38000113.1T18D16-T18 VanDerWaalsContact C-N 3.26Å; D16-T18 PolarHBondContact O-N 3.25Å
17Y49Very low48.5Very low115 Ų11585.6 Ų85.645%0.45143%0.425SS..Hα-helixtrans-66.7-10.8-158.7-66.9-76.6000116.7L21 V82Y17-L21 WeakPolarHBondContact O-CD1 3.5Å; Y17-L21 WeakPolarHBondContact O-CG 3.31Å; Y17-L21 PolarHBondContact O-N 3.01Å; Y17-V82 HydrophobicContact CD1-CB 4.01Å; Y17-V82 HydrophobicContact CD1-CG1 3.55Å; Y17-V82 HydrophobicContact CD1-CG2 3.41Å; Y17-V82 VanDerWaalsContact CD1-CG2 3.41Å; Y17-V82 HydrophobicContact CE1-CB 3.88Å; Y17-V82 HydrophobicContact CE1-CG1 3.27Å; Y17-V82 HydrophobicContact CE1-CG2 3.74Å; Y17-V82 HydrophobicContact CG-CG2 4.23Å
18T46.5Very low48.4Very low106 Ų10683 Ų8365%0.6541%0.411SS*.Hα-helixtrans-86.2-41-169.2170000114.8D16D16-T18 VanDerWaalsContact C-N 3.26Å; D16-T18 PolarHBondContact O-N 3.25Å
19D45.2Very low48.3Very low119 Ų11986.3 Ų86.364%0.63642%0.424SS*.Hα-helixtrans-81.2-27.4175-77.9-33.6000111.9L21 K22 Y23D19-L21 VanDerWaalsContact C-N 3.28Å; D19-L21 PolarHBondContact O-N 3.35Å; D19-K22 PolarHBondContact O-N 3.25Å; D19-Y23 PolarHBondContact O-N 3.38Å; D19-Y23 VanDerWaalsContact O-N 3.12Å
20A41.4Very low48.5Very low34 Ų3491.9 Ų91.928%0.28145%0.447SS..Hα-helixtrans-58.7-38.7171.700000111.6Y23 V24A20-Y23 PolarHBondContact O-N 3.44Å; A20-V24 WeakPolarHBondContact O-CB 3.43Å; A20-V24 WeakPolarHBondContact O-CG2 3.41Å; A20-V24 PolarHBondContact O-N 3.24Å
21L43Very low48.6Very low47 Ų4798 Ų9825%0.24647%0.473CS..Hα-helixtrans-62.7-44.1178.5-84.3159.9000113.1Y17 D19 V24 D25 F80 L85Y17-L21 WeakPolarHBondContact O-CD1 3.5Å; Y17-L21 WeakPolarHBondContact O-CG 3.31Å; Y17-L21 PolarHBondContact O-N 3.01Å; D19-L21 VanDerWaalsContact C-N 3.28Å; D19-L21 PolarHBondContact O-N 3.35Å; L21-V24 PolarHBondContact O-N 3.42Å; L21-D25 PolarHBondContact O-N 2.89Å; L21-F80 HydrophobicContact CD2-CB 4.3Å; L21-L85 HydrophobicContact CD2-CD1 3.66Å; L21-L85 HydrophobicContact CG-CD1 4.41Å
22K45Very low48.9Very low158 Ų15891.7 Ų91.769%0.68745%0.447SS*.Hα-helixtrans-69-36.3177.9-70178.1-177166.80112.4D19 R26D19-K22 PolarHBondContact O-N 3.25Å; K22-R26 WeakPolarHBondContact O-CB 3.33Å; K22-R26 PolarHBondContact O-N 3.49Å
23Y45.4Very low49.7Very low94 Ų9493.3 Ų93.337%0.36946%0.461SS..Hα-helixtrans-69.2-40.4174.2179.4-102.6000111.2E12 D19 A20 R26 E27E12-Y23 WeakPolarHBondContact OE1-CE1 3.48Å; D19-Y23 PolarHBondContact O-N 3.38Å; D19-Y23 VanDerWaalsContact O-N 3.12Å; A20-Y23 PolarHBondContact O-N 3.44Å; Y23-R26 CarbonylContact O-C 3.56Å; Y23-R26 PolarHBondContact O-N 2.97Å; Y23-E27 HydrophobicContact CD1-CG 3.94Å; Y23-E27 HydrophobicContact CD2-CG 4.06Å; Y23-E27 HydrophobicContact CE1-CB 4.46Å; Y23-E27 HydrophobicContact CE1-CG 3.55Å; Y23-E27 HydrophobicContact CE2-CG 3.66Å; Y23-E27 HydrophobicContact CG-CG 4.2Å; Y23-E27 VanDerWaalsContact CZ-CG 3.4Å; Y23-E27 WeakPolarHBondContact O-CB 3.4Å; Y23-E27 WeakPolarHBondContact O-CG 3.23Å; Y23-E27 PolarHBondContact O-N 3.44Å
24V45.4Very low50.7Low23 Ų2394 Ų9414%0.13947%0.468CS..Hα-helixtrans-69.2-40.5179.8173.10000111A20 L21 R26 E27 L28 L85A20-V24 WeakPolarHBondContact O-CB 3.43Å; A20-V24 WeakPolarHBondContact O-CG2 3.41Å; A20-V24 PolarHBondContact O-N 3.24Å; L21-V24 PolarHBondContact O-N 3.42Å; V24-R26 VanDerWaalsContact C-N 3.32Å; V24-R26 PolarHBondContact O-N 2.96Å; V24-E27 PolarHBondContact O-N 3.22Å; V24-L28 HydrophobicContact CG1-CD1 3.54Å; V24-L28 HydrophobicContact CG1-CG 3.75Å; V24-L28 WeakPolarHBondContact O-CA 3.45Å; V24-L28 WeakPolarHBondContact O-CB 3.13Å; V24-L28 WeakPolarHBondContact O-CG 3.39Å; V24-L28 PolarHBondContact O-N 2.98Å; V24-L85 HydrophobicContact CB-CD1 4.22Å; V24-L85 HydrophobicContact CB-CD2 4.41Å; V24-L85 HydrophobicContact CG1-CB 4.17Å; V24-L85 HydrophobicContact CG1-CD1 3.83Å; V24-L85 HydrophobicContact CG1-CD2 3.23Å; V24-L85 HydrophobicContact CG1-CG 3.9Å; V24-L85 HydrophobicContact CG2-CD1 4.41Å
25D48.5Very low52.1Low100 Ų10089 Ų8954%0.53545%0.445SS..Hα-helixtrans-57.3-46.7169.6-85.6-17.2000111.2L21 E27 E29L21-D25 PolarHBondContact O-N 2.89Å; D25-E27 PolarHBondContact O-N 3.35Å; D25-E29 WeakPolarHBondContact O-CG 3.01Å; D25-E29 PolarHBondContact O-N 3.14Å
26R52.6Low53.5Low166 Ų16690.1 Ų90.163%0.62645%0.446SS*.Hα-helixtrans-67.6-32.6-179.4-168.4-176.7-94-167.3-5.3113.3K22 Y23 V24 K30K22-R26 WeakPolarHBondContact O-CB 3.33Å; K22-R26 PolarHBondContact O-N 3.49Å; Y23-R26 CarbonylContact O-C 3.56Å; Y23-R26 PolarHBondContact O-N 2.97Å; V24-R26 VanDerWaalsContact C-N 3.32Å; V24-R26 PolarHBondContact O-N 2.96Å; R26-K30 WeakPolarHBondContact O-CG 3.49Å; R26-K30 PolarHBondContact O-N 2.9Å
27E52Low55.1Low30 Ų3084.4 Ų84.414%0.1442%0.417CS..Hα-helixtrans-87.9-31.6179-73-64.2113.100112.5Y23 V24 D25 E29 K30 K31Y23-E27 HydrophobicContact CD1-CG 3.94Å; Y23-E27 HydrophobicContact CD2-CG 4.06Å; Y23-E27 HydrophobicContact CE1-CB 4.46Å; Y23-E27 HydrophobicContact CE1-CG 3.55Å; Y23-E27 HydrophobicContact CE2-CG 3.66Å; Y23-E27 HydrophobicContact CG-CG 4.2Å; Y23-E27 VanDerWaalsContact CZ-CG 3.4Å; Y23-E27 WeakPolarHBondContact O-CB 3.4Å; Y23-E27 WeakPolarHBondContact O-CG 3.23Å; Y23-E27 PolarHBondContact O-N 3.44Å; V24-E27 PolarHBondContact O-N 3.22Å; D25-E27 PolarHBondContact O-N 3.35Å; E27-E29 VanDerWaalsContact C-N 3.29Å; E27-K30 PolarHBondContact O-N 3.35Å; E27-K30 WeakPolarHBondContact OE1-CD 3.39Å; E27-K30 IonicContact OE1-NZ 3.16Å; E27-K30 PolarHBondContact OE1-NZ 3.46Å; E27-K31 WeakPolarHBondContact O-CB 3.46Å; E27-K31 PolarHBondContact O-N 3.3Å; E27-K31 WeakPolarHBondContact OE2-CE 3.45Å; E27-K31 IonicContact OE2-NZ 3.82Å; E27-K31 PolarHBondContact OE2-NZ 3.47Å
28L50.9Low56.8Low26 Ų2682.9 Ų82.914%0.13642%0.416CS..Hα-helixtrans-59.1-45.8168.8-76.4173.4000109.2V24 K30 T32 L85 I88V24-L28 HydrophobicContact CG1-CD1 3.54Å; V24-L28 HydrophobicContact CG1-CG 3.75Å; V24-L28 WeakPolarHBondContact O-CA 3.45Å; V24-L28 WeakPolarHBondContact O-CB 3.13Å; V24-L28 WeakPolarHBondContact O-CG 3.39Å; V24-L28 PolarHBondContact O-N 2.98Å; L28-K30 VanDerWaalsContact C-N 3.28Å; L28-K30 PolarHBondContact O-N 3.23Å; L28-T32 CarbonylContact O-C 3.5Å; L28-T32 WeakPolarHBondContact O-CA 3.26Å; L28-T32 VanDerWaalsContact O-CB 3.28Å; L28-T32 WeakPolarHBondContact O-CB 3.35Å; L28-T32 PolarHBondContact O-N 3.12Å; L28-L85 HydrophobicContact CD1-CD2 3.91Å; L28-I88 HydrophobicContact CD2-CB 4.18Å; L28-I88 HydrophobicContact CD2-CD1 4.33Å; L28-I88 HydrophobicContact CD2-CG2 3.24Å
29E51.6Low58.8Low153 Ų15381.2 Ų81.272%0.71540%0.403SS*.Hα-helixtrans-61.1-33.8175.4-76.9-179.4168.600113.4D25 E27D25-E29 WeakPolarHBondContact O-CG 3.01Å; D25-E29 PolarHBondContact O-N 3.14Å; E27-E29 VanDerWaalsContact C-N 3.29Å
30K54.9Low61.1Low142 Ų14276.7 Ų76.762%0.61738%0.377SS*.Hα-helixtrans-84.4-33.4-178.7-73.1175.1-172.2171.70114.5R26 E27 L28R26-K30 WeakPolarHBondContact O-CG 3.49Å; R26-K30 PolarHBondContact O-N 2.9Å; E27-K30 PolarHBondContact O-N 3.35Å; E27-K30 WeakPolarHBondContact OE1-CD 3.39Å; E27-K30 IonicContact OE1-NZ 3.16Å; E27-K30 PolarHBondContact OE1-NZ 3.46Å; L28-K30 VanDerWaalsContact C-N 3.28Å; L28-K30 PolarHBondContact O-N 3.23Å
31K50.3Low63.6Low146 Ų14678 Ų7864%0.63538%0.378SS*.Hα-helixtrans-113.5-14.9-170.2-71.3175.4174.7149.30114E27E27-K31 WeakPolarHBondContact O-CB 3.46Å; E27-K31 PolarHBondContact O-N 3.3Å; E27-K31 WeakPolarHBondContact OE2-CE 3.45Å; E27-K31 IonicContact OE2-NZ 3.82Å; E27-K31 PolarHBondContact OE2-NZ 3.47Å
32T60Low66Low12 Ų1282.6 Ų82.67%0.07439%0.392CS..SBendtrans-126.5123-173.7-500000110.1L28 T34 I88 S92 L102 V105L28-T32 CarbonylContact O-C 3.5Å; L28-T32 WeakPolarHBondContact O-CA 3.26Å; L28-T32 VanDerWaalsContact O-CB 3.28Å; L28-T32 WeakPolarHBondContact O-CB 3.35Å; L28-T32 PolarHBondContact O-N 3.12Å; T32-T34 PolarHBondContact O-N 3.44Å; T32-T34 VanDerWaalsContact O-N 3.11Å; T32-I88 HydrophobicContact CG2-CG2 4.39Å; T32-S92 PolarHBondContact OG1-OG 2.91Å; T32-S92 VanDerWaalsContact OG1-OG 3.04Å; T32-L102 HydrophobicContact CG2-CD2 4.39Å; T32-V105 HydrophobicContact CG2-CB 4.23Å; T32-V105 HydrophobicContact CG2-CG2 3.59Å
33T69.8Low68.4Low89 Ų8978.5 Ų78.555%0.54638%0.377SS..  trans-66.1115175.7-50.30000109.2L35 G104 V105T33-L35 HydrophobicContact CG2-CD2 3.63Å; T33-L35 HydrophobicContact CG2-CG 4.04Å; T33-G104 CarbonylContact O-C 3.54Å; T33-G104 WeakPolarHBondContact O-CA 3.37Å; T33-V105 PolarHBondContact O-N 3.4Å
34T69.5Low70.6Confident83 Ų8378.5 Ų78.551%0.50938%0.38SS..EExtended strand (participates in β ladder)trans-78.6130.3168.151.20000108.8T32 V105T32-T34 PolarHBondContact O-N 3.44Å; T32-T34 VanDerWaalsContact O-N 3.11Å; T34-V105 WeakPolarHBondContact CA-O 3.46Å
35L78Confident72.8Confident39 Ų3979.3 Ų79.320%0.20438%0.382CS..EExtended strand (participates in β ladder)trans-125.1149.2-174.4-63.2169.9000110T33 V37 Y40 V105 C106 L123T33-L35 HydrophobicContact CG2-CD2 3.63Å; T33-L35 HydrophobicContact CG2-CG 4.04Å; L35-V37 PolarHBondContact O-N 2.68Å; L35-Y40 HydrophobicContact CB-CE2 4.42Å; L35-V105 PolarHBondContact N-O 2.71Å; L35-C106 VanDerWaalsContact O-CA 3.26Å; L35-C106 WeakPolarHBondContact O-CA 3.38Å; L35-L123 HydrophobicContact CD1-CD2 3.6Å
36V77.1Confident74.8Confident78 Ų7875.3 Ų75.347%0.47336%0.361SS..EExtended strand (participates in β ladder)trans-81.4121176.4-176.80000108.2D38 D39V36-D38 HydrophobicContact CG1-CB 4.11Å; V36-D38 PolarHBondContact O-N 3.02Å; V36-D39 WeakPolarHBondContact O-CB 3.48Å; V36-D39 PolarHBondContact O-N 3.39Å; V36-D39 VanDerWaalsContact O-N 3.14Å
37V80.7Confident76.3Confident13 Ų1368.1 Ų68.18%0.07934%0.338CS..G310 helixtrans-62.3-28-177.677.90000112.3L35 D39 Y40 L68 C106 K108 Y121L35-V37 PolarHBondContact O-N 2.68Å; V37-D39 PolarHBondContact O-N 2.89Å; V37-Y40 WeakPolarHBondContact O-CB 3.37Å; V37-Y40 PolarHBondContact O-N 3.23Å; V37-L68 HydrophobicContact CG2-CD2 3.81Å; V37-C106 HydrophobicContact CB-CB 3.95Å; V37-C106 HydrophobicContact CG2-CB 4.19Å; V37-K108 HydrophobicContact CG1-CB 3.57Å; V37-K108 HydrophobicContact CG1-CD 3.8Å; V37-K108 HydrophobicContact CG1-CG 3.74Å; V37-Y121 HydrophobicContact CG2-CD2 4.08Å; V37-Y121 HydrophobicContact CG2-CE2 4.27Å; V37-Y121 HydrophobicContact CG2-CG 4.43Å
38D85Confident77.8Confident83 Ų8372.2 Ų72.244%0.44436%0.357SS..G310 helixtrans-68.8-15.5-178.5-68.4-30000112.6V36 Y40 R60 K108V36-D38 HydrophobicContact CG1-CB 4.11Å; V36-D38 PolarHBondContact O-N 3.02Å; D38-Y40 PolarHBondContact O-N 3.04Å; D38-R60 WeakPolarHBondContact O-CD 2.95Å; D38-R60 PolarHBondContact O-NE 2.93Å; D38-K108 IonicContact OD1-NZ 2.99Å; D38-K108 PolarHBondContact OD1-NZ 3.43Å; D38-K108 IonicContact OD2-NZ 3.94Å
39D89.3Confident78.7Confident70 Ų7072.9 Ų72.937%0.37437%0.37SS..G310 helixtrans-68.8-11.9169.6-66.2-24.5000112.6V36 V37 H59 R60V36-D39 WeakPolarHBondContact O-CB 3.48Å; V36-D39 PolarHBondContact O-N 3.39Å; V36-D39 VanDerWaalsContact O-N 3.14Å; V37-D39 PolarHBondContact O-N 2.89Å; D39-H59 PolarHBondContact O-CD2 2.88Å; D39-R60 WeakPolarHBondContact O-CB 3.39Å; D39-R60 VanDerWaalsContact O-CG 3.32Å; D39-R60 WeakPolarHBondContact O-CG 3.24Å; D39-R60 PolarHBondContact O-N 2.83Å
40Y92.8Very high79.5Confident24 Ų2469 Ų699%0.09436%0.357CS..EExtended strand (participates in β ladder)trans-113.7122.6-178.2-61-91.2000110.8L35 V37 D38 V57 H59 Y66 L123L35-Y40 HydrophobicContact CB-CE2 4.42Å; V37-Y40 WeakPolarHBondContact O-CB 3.37Å; V37-Y40 PolarHBondContact O-N 3.23Å; D38-Y40 PolarHBondContact O-N 3.04Å; Y40-V57 HydrophobicContact CD1-CG2 3.81Å; Y40-V57 HydrophobicContact CG-CG2 4.26Å; Y40-H59 HydrophobicContact CD1-CB 4.01Å; Y40-H59 HydrophobicContact CE1-CB 3.8Å; Y40-H59 AromaticContact CE1-CD2 3.77Å; Y40-H59 AromaticContact CZ-CD2 3.72Å; Y40-Y66 HydrophobicContact CD1-CD2 4.11Å; Y40-Y66 AromaticContact CE1-CD2 3.65Å; Y40-Y66 HydrophobicContact CE1-CD2 3.65Å; Y40-Y66 AromaticContact CE1-CE2 3.93Å; Y40-Y66 HydrophobicContact CE1-CE2 3.93Å; Y40-Y66 HydrophobicContact CE1-CG 4.32Å; Y40-L123 HydrophobicContact CD1-CD1 4.09Å; Y40-L123 HydrophobicContact CE1-CD1 3.88Å; Y40-L123 HydrophobicContact CE1-CD2 3.72Å; Y40-L123 HydrophobicContact CE1-CG 4.47Å; Y40-L123 HydrophobicContact CE2-CD2 4.21Å; Y40-L123 VanDerWaalsContact CZ-CD2 3.45Å; Y40-L123 VanDerWaalsContact OH-CD2 3.23Å; Y40-L123 WeakPolarHBondContact OH-CD2 3.42Å
41E94.4Very high80.1Confident62 Ų6263.9 Ų63.929%0.2933%0.334SS..EExtended strand (participates in β ladder)trans-85.1119172.5-176.5-172.5-178.500109.7L43 V57 R58 R60E41-L43 HydrophobicContact CG-CD2 4.2Å; E41-L43 PolarHBondContact O-N 3.14Å; E41-V57 CarbonylContact O-C 3.56Å; E41-V57 VanDerWaalsContact O-CA 3.23Å; E41-V57 WeakPolarHBondContact O-CA 2.87Å; E41-R58 VanDerWaalsContact CD-NH2 3.35Å; E41-R58 PolarHBondContact N-O 2.91Å; E41-R58 PolarHBondContact O-N 3.47Å; E41-R58 IonicContact OE1-NH2 3.7Å; E41-R58 PolarHBondContact OE1-NH2 2.92Å; E41-R58 IonicContact OE2-CZ 3.67Å; E41-R58 IonicContact OE2-NE 3.28Å; E41-R58 PolarHBondContact OE2-NE 3.34Å; E41-R58 VanDerWaalsContact OE2-NE 3.17Å; E41-R58 IonicContact OE2-NH2 2.94Å; E41-R58 PolarHBondContact OE2-NH2 2.76Å; E41-R60 HydrophobicContact CB-CG 4.39Å
42R93.6Very high81.4Confident143 Ų14357.1 Ų57.154%0.5431%0.307SS..EExtended strand (participates in β ladder)trans-72.5121.8175.7177170.7162.2-178.9-6.8110.7F55 V57R42-F55 HydrophobicContact CG-CB 4.14Å; R42-F55 HydrophobicContact CG-CD1 4.26Å; R42-F55 HydrophobicContact CG-CG 4.24Å; R42-F55 VanDerWaalsContact NE-CE1 3.31Å; R42-V57 HydrophobicContact CB-CG1 4.49Å
43L93.8Very high82.7Confident72 Ų7258.7 Ų58.738%0.37731%0.313SS..EExtended strand (participates in β ladder)trans-99.8-52.9-177.4-57.3-177.2000112.4E41 K56 R58E41-L43 HydrophobicContact CG-CD2 4.2Å; E41-L43 PolarHBondContact O-N 3.14Å; L43-K56 WeakPolarHBondContact CB-O 3.28Å; L43-K56 HydrophobicContact CD1-CG 4.36Å; L43-K56 PolarHBondContact N-O 2.83Å; L43-R58 HydrophobicContact CD1-CB 3.91Å; L43-R58 HydrophobicContact CD2-CB 4.31Å; L43-R58 HydrophobicContact CG-CB 4.19Å
44Q92.9Very high83.8Confident94 Ų9456.2 Ų56.244%0.43930%0.298SS..EExtended strand (participates in β ladder)trans-153.7145.6-171.6-172.4178.811.700111.1I46 F55 K56 L359Q44-I46 HydrophobicContact CB-CG2 4.49Å; Q44-I46 HydrophobicContact CG-CG2 4.49Å; Q44-F55 CarbonylContact O-C 3.58Å; Q44-F55 VanDerWaalsContact O-CA 3.3Å; Q44-F55 WeakPolarHBondContact O-CA 3.41Å; Q44-K56 PolarHBondContact N-O 3.29Å; Q44-K56 PolarHBondContact O-N 3.24Å; Q44-L359 VanDerWaalsContact NE2-CD2 3.3Å
45K91.6Very high84.9Confident41 Ų4152.3 Ų52.318%0.17827%0.274CS..EExtended strand (participates in β ladder)trans-76.9123.5165.8-170.6171.2170.6178.60109.9G47 E53 F55 Y358K45-G47 WeakPolarHBondContact CE-O 3.33Å; K45-E53 WeakPolarHBondContact CE-OE1 3.3Å; K45-E53 IonicContact NZ-OE1 3.2Å; K45-E53 PolarHBondContact NZ-OE1 3.37Å; K45-F55 HydrophobicContact CB-CD1 3.79Å; K45-F55 HydrophobicContact CB-CE1 3.65Å; K45-F55 HydrophobicContact CD-CE1 3.84Å; K45-F55 HydrophobicContact CD-CZ 4.45Å; K45-F55 HydrophobicContact CG-CD1 4.01Å; K45-F55 HydrophobicContact CG-CE1 3.57Å; K45-F55 HydrophobicContact CG-CZ 4.46Å; K45-Y358 HydrophobicContact CB-CE1 4.19Å; K45-Y358 HydrophobicContact CD-CE1 4.19Å; K45-Y358 VanDerWaalsContact CD-OH 3.31Å; K45-Y358 WeakPolarHBondContact CD-OH 2.98Å; K45-Y358 WeakPolarHBondContact CE-OH 3.35Å; K45-Y358 HydrophobicContact CG-CE1 3.78Å
46I90Very high85.7Confident16 Ų1653.6 Ų53.68%0.08228%0.278CS..EExtended strand (participates in β ladder)trans-117.5-9.8-174.262.1171.1000113.3Q44 V54 K56 A67 I126 L356 Y358Q44-I46 HydrophobicContact CB-CG2 4.49Å; Q44-I46 HydrophobicContact CG-CG2 4.49Å; I46-V54 HydrophobicContact CD1-CG1 3.98Å; I46-V54 HydrophobicContact CG1-CB 4.18Å; I46-V54 HydrophobicContact CG1-CG1 3.82Å; I46-V54 WeakPolarHBondContact CG1-O 3.45Å; I46-V54 PolarHBondContact N-O 3.35Å; I46-K56 HydrophobicContact CD1-CB 4.23Å; I46-K56 HydrophobicContact CG2-CB 3.71Å; I46-A67 HydrophobicContact CD1-CB 4.25Å; I46-I126 HydrophobicContact CD1-CD1 3.62Å; I46-L356 HydrophobicContact CB-CD1 3.76Å; I46-L356 HydrophobicContact CD1-CD1 4.42Å; I46-L356 HydrophobicContact CG2-CD1 4.19Å; I46-Y358 VanDerWaalsContact O-CB 3.29Å; I46-Y358 WeakPolarHBondContact O-CB 3.08Å
47G84.9Confident86.6Confident14 Ų1450 Ų5014%0.14426%0.256CS..EExtended strand (participates in β ladder)trans-159.7158.1177.400000112.3K45 V54K45-G47 WeakPolarHBondContact CE-O 3.33Å; G47-V54 PolarHBondContact N-O 3.45Å; G47-V54 VanDerWaalsContact N-O 3.15Å; G47-V54 PolarHBondContact O-N 2.95Å
48Q82.7Confident87.4Confident117 Ų11752.9 Ų52.955%0.54727%0.265SS..EExtended strand (participates in β ladder)trans-151.5134.3171-179.5173.3-13.400108.2Y358Q48-Y358 HydrophobicContact CB-CD2 4.07Å; Q48-Y358 HydrophobicContact CB-CE2 3.69Å
49G70.6Confident87.9Confident39 Ų3950.4 Ų50.440%0.40225%0.251SS..EExtended strand (participates in β ladder)trans-154.6-167.1177.400000112.7F51 G52 K72G49-F51 VanDerWaalsContact C-N 3.27Å; G49-F51 PolarHBondContact O-N 3.4Å; G49-G52 PolarHBondContact N-O 2.86Å; G49-G52 PolarHBondContact O-N 3.36Å; G49-K72 PolarHBondContact O-NZ 3.18Å
50T66.6Low88.2Confident72 Ų7253 Ų5344%0.44226%0.256SS..THydrogen-bonded Turntrans-56.6-42.3-179.4-48.10000111.2K72T50-K72 WeakPolarHBondContact O-CD 3.33Å; T50-K72 PolarHBondContact O-NZ 3.06Å
51F67.8Low88.3Confident34 Ų3457.7 Ų57.715%0.14929%0.286CS..THydrogen-bonded Turntrans-84.2-10.7-175.2-58.9-69.7000115.4G49 K72 D187 L190G49-F51 VanDerWaalsContact C-N 3.27Å; G49-F51 PolarHBondContact O-N 3.4Å; F51-K72 PolarHBondContact O-N 3.11Å; F51-D187 WeakPolarHBondContact CD2-OD1 3.36Å; F51-L190 HydrophobicContact CE1-CD2 4.27Å; F51-L190 HydrophobicContact CE2-CG 4.21Å; F51-L190 HydrophobicContact CZ-CD2 3.6Å; F51-L190 HydrophobicContact CZ-CG 3.64Å
52G78.2Confident88.3Confident5 Ų558.6 Ų58.65%0.05230%0.296CS..EExtended strand (participates in β ladder)trans151-163.5-177.500000115.8G49 R70G49-G52 PolarHBondContact N-O 2.86Å; G49-G52 PolarHBondContact O-N 3.36Å; G52-R70 WeakPolarHBondContact CA-O 3.24Å
53E87.8Confident88.4Confident44 Ų4457.8 Ų57.821%0.20630%0.296CS..EExtended strand (participates in β ladder)trans-111.4141.7177.9-57179.1107.300109.1K45 F55 K69 R70K45-E53 WeakPolarHBondContact CE-OE1 3.3Å; K45-E53 IonicContact NZ-OE1 3.2Å; K45-E53 PolarHBondContact NZ-OE1 3.37Å; E53-F55 HydrophobicContact CB-CE1 4.36Å; E53-F55 HydrophobicContact CB-CE2 3.64Å; E53-F55 HydrophobicContact CB-CZ 3.47Å; E53-F55 VanDerWaalsContact CB-CZ 3.47Å; E53-F55 HydrophobicContact CG-CZ 4.31Å; E53-K69 CarbonylContact O-C 3.58Å; E53-K69 WeakPolarHBondContact O-CA 3.39Å; E53-R70 PolarHBondContact O-N 3.37Å; E53-R70 IonicContact OE2-NH1 3.31Å; E53-R70 PolarHBondContact OE2-NH1 2.87Å
54V92.5Very high88.4Confident38 Ų3858.9 Ų58.923%0.2330%0.3CS..EExtended strand (participates in β ladder)trans-114.4130.7178.7-170.80000109.4I46 G47 A67 L68 K69I46-V54 HydrophobicContact CD1-CG1 3.98Å; I46-V54 HydrophobicContact CG1-CB 4.18Å; I46-V54 HydrophobicContact CG1-CG1 3.82Å; I46-V54 WeakPolarHBondContact CG1-O 3.45Å; I46-V54 PolarHBondContact N-O 3.35Å; G47-V54 PolarHBondContact N-O 3.45Å; G47-V54 VanDerWaalsContact N-O 3.15Å; G47-V54 PolarHBondContact O-N 2.95Å; V54-A67 HydrophobicContact CG1-CB 4.12Å; V54-L68 WeakPolarHBondContact CA-O 3.3Å; V54-K69 HydrophobicContact CG2-CB 4.19Å; V54-K69 HydrophobicContact CG2-CG 4.16Å
55F93.5Very high88.6Confident1 Ų157.7 Ų57.70%0.00429%0.294CS..EExtended strand (participates in β ladder)trans-118.6135.5-179-57.2-71.4000111.2R42 Q44 K45 E53 V57 A67 L68 R70R42-F55 HydrophobicContact CG-CB 4.14Å; R42-F55 HydrophobicContact CG-CD1 4.26Å; R42-F55 HydrophobicContact CG-CG 4.24Å; R42-F55 VanDerWaalsContact NE-CE1 3.31Å; Q44-F55 CarbonylContact O-C 3.58Å; Q44-F55 VanDerWaalsContact O-CA 3.3Å; Q44-F55 WeakPolarHBondContact O-CA 3.41Å; K45-F55 HydrophobicContact CB-CD1 3.79Å; K45-F55 HydrophobicContact CB-CE1 3.65Å; K45-F55 HydrophobicContact CD-CE1 3.84Å; K45-F55 HydrophobicContact CD-CZ 4.45Å; K45-F55 HydrophobicContact CG-CD1 4.01Å; K45-F55 HydrophobicContact CG-CE1 3.57Å; K45-F55 HydrophobicContact CG-CZ 4.46Å; E53-F55 HydrophobicContact CB-CE1 4.36Å; E53-F55 HydrophobicContact CB-CE2 3.64Å; E53-F55 HydrophobicContact CB-CZ 3.47Å; E53-F55 VanDerWaalsContact CB-CZ 3.47Å; E53-F55 HydrophobicContact CG-CZ 4.31Å; F55-V57 HydrophobicContact CB-CG1 4.14Å; F55-V57 PolarHBondContact O-N 3.4Å; F55-A67 CarbonylContact O-C 3.49Å; F55-A67 WeakPolarHBondContact O-CA 3.39Å; F55-L68 PolarHBondContact N-O 3.23Å; F55-L68 PolarHBondContact O-N 2.96Å; F55-R70 HydrophobicContact CE2-CB 4.29Å
56K94.9Very high88.7Confident66 Ų6657 Ų5729%0.28729%0.29SS..EExtended strand (participates in β ladder)trans-70.6125.3159.9-175.1175.8-173.9173.60107.8L43 Q44 I46 H65 Y66 I126L43-K56 WeakPolarHBondContact CB-O 3.28Å; L43-K56 HydrophobicContact CD1-CG 4.36Å; L43-K56 PolarHBondContact N-O 2.83Å; Q44-K56 PolarHBondContact N-O 3.29Å; Q44-K56 PolarHBondContact O-N 3.24Å; I46-K56 HydrophobicContact CD1-CB 4.23Å; I46-K56 HydrophobicContact CG2-CB 3.71Å; K56-H65 VanDerWaalsContact CE-CD2 3.42Å; K56-H65 WeakPolarHBondContact CE-CD2 3.45Å; K56-Y66 WeakPolarHBondContact CA-O 3.29Å; K56-I126 HydrophobicContact CB-CD1 4.44Å; K56-I126 HydrophobicContact CG-CD1 4.2Å
57V96Very high89Confident1 Ų156.7 Ų56.71%0.00629%0.291CS..EExtended strand (participates in β ladder)trans-124.9159.4177.9-54.20000110.3Y40 E41 R42 F55 H65 Y66 L68 L123Y40-V57 HydrophobicContact CD1-CG2 3.81Å; Y40-V57 HydrophobicContact CG-CG2 4.26Å; E41-V57 CarbonylContact O-C 3.56Å; E41-V57 VanDerWaalsContact O-CA 3.23Å; E41-V57 WeakPolarHBondContact O-CA 2.87Å; R42-V57 HydrophobicContact CB-CG1 4.49Å; F55-V57 HydrophobicContact CB-CG1 4.14Å; F55-V57 PolarHBondContact O-N 3.4Å; V57-H65 CarbonylContact O-C 3.57Å; V57-H65 VanDerWaalsContact O-CA 3.31Å; V57-H65 WeakPolarHBondContact O-CA 3.14Å; V57-Y66 PolarHBondContact N-O 3.15Å; V57-Y66 PolarHBondContact O-N 2.9Å; V57-L68 HydrophobicContact CG1-CB 3.55Å; V57-L68 HydrophobicContact CG1-CD2 3.96Å; V57-L68 HydrophobicContact CG1-CG 4.36Å; V57-L68 HydrophobicContact CG2-CB 4.09Å; V57-L123 HydrophobicContact CG2-CD1 4.14Å
58R96.5Very high89.4Confident75 Ų7556.4 Ų56.428%0.28329%0.285SS..EExtended strand (participates in β ladder)trans-123.8125174174.4174.265.8-167.70.4109.3E41 L43 R60 Q64E41-R58 VanDerWaalsContact CD-NH2 3.35Å; E41-R58 PolarHBondContact N-O 2.91Å; E41-R58 PolarHBondContact O-N 3.47Å; E41-R58 IonicContact OE1-NH2 3.7Å; E41-R58 PolarHBondContact OE1-NH2 2.92Å; E41-R58 IonicContact OE2-CZ 3.67Å; E41-R58 IonicContact OE2-NE 3.28Å; E41-R58 PolarHBondContact OE2-NE 3.34Å; E41-R58 VanDerWaalsContact OE2-NE 3.17Å; E41-R58 IonicContact OE2-NH2 2.94Å; E41-R58 PolarHBondContact OE2-NH2 2.76Å; L43-R58 HydrophobicContact CD1-CB 3.91Å; L43-R58 HydrophobicContact CD2-CB 4.31Å; L43-R58 HydrophobicContact CG-CB 4.19Å; R58-R60 PolarHBondContact O-N 3.07Å; R58-Q64 CarbonylContact C-O 3.55Å; R58-Q64 WeakPolarHBondContact CA-O 3.32Å
59H95.6Very high89.9Confident30 Ų3051.5 Ų51.514%0.13926%0.263CS..EExtended strand (participates in β ladder)trans-65128.6172.8-176.6-113.1000109.8D39 Y40 V61 T62 K63 Q64 Y66D39-H59 PolarHBondContact O-CD2 2.88Å; Y40-H59 HydrophobicContact CD1-CB 4.01Å; Y40-H59 HydrophobicContact CE1-CB 3.8Å; Y40-H59 AromaticContact CE1-CD2 3.77Å; Y40-H59 AromaticContact CZ-CD2 3.72Å; H59-V61 VanDerWaalsContact C-N 3.34Å; H59-V61 PolarHBondContact O-N 2.78Å; H59-T62 WeakPolarHBondContact CB-OG1 3.39Å; H59-T62 WeakPolarHBondContact ND1-CG2 3.35Å; H59-T62 PolarHBondContact ND1-N 2.62Å; H59-T62 VanDerWaalsContact ND1-N 3.19Å; H59-T62 PolarHBondContact ND1-OG1 3.24Å; H59-K63 WeakPolarHBondContact O-CA 3.3Å; H59-K63 PolarHBondContact O-N 3.18Å; H59-Q64 PolarHBondContact N-O 2.94Å; H59-Y66 HydrophobicContact CB-CD2 4.31Å; H59-Y66 HydrophobicContact CB-CE2 3.87Å
60R95.1Very high90.7Very high126 Ų12652.2 Ų52.248%0.47525%0.253SS..THydrogen-bonded Turntrans-64.9-36.2-167.7-73.7178.8-174.3-75.9-0.7113D38 D39 E41 R58 K63D38-R60 WeakPolarHBondContact O-CD 2.95Å; D38-R60 PolarHBondContact O-NE 2.93Å; D39-R60 WeakPolarHBondContact O-CB 3.39Å; D39-R60 VanDerWaalsContact O-CG 3.32Å; D39-R60 WeakPolarHBondContact O-CG 3.24Å; D39-R60 PolarHBondContact O-N 2.83Å; E41-R60 HydrophobicContact CB-CG 4.39Å; R58-R60 PolarHBondContact O-N 3.07Å; R60-K63 WeakPolarHBondContact O-CD 3.49Å; R60-K63 VanDerWaalsContact O-CE 3.3Å; R60-K63 WeakPolarHBondContact O-CE 3.38Å; R60-K63 PolarHBondContact O-NZ 3Å
61V94.5Very high91.4Very high121 Ų12149 Ų4973%0.73323%0.233SC*.THydrogen-bonded Turntrans-84.6-60.2-177.6-178.90000110.8H59 K63H59-V61 VanDerWaalsContact C-N 3.34Å; H59-V61 PolarHBondContact O-N 2.78Å; V61-K63 PolarHBondContact O-N 2.83Å
62T95.1Very high91.7Very high82 Ų8252 Ų5250%0.50325%0.246SC..THydrogen-bonded Turntrans-75.3-12.7-174.164.10000113.6H59 Q64H59-T62 WeakPolarHBondContact CB-OG1 3.39Å; H59-T62 WeakPolarHBondContact ND1-CG2 3.35Å; H59-T62 PolarHBondContact ND1-N 2.62Å; H59-T62 VanDerWaalsContact ND1-N 3.19Å; H59-T62 PolarHBondContact ND1-OG1 3.24Å; T62-Q64 PolarHBondContact O-N 3.25Å; T62-Q64 PolarHBondContact OG1-N 3.39Å
63K95.7Very high91.1Very high125 Ų12553 Ų5354%0.54325%0.251SS..  trans59.48.6-173.8-51.4-55.3-175.2-169.80114.7H59 R60 V61H59-K63 WeakPolarHBondContact O-CA 3.3Å; H59-K63 PolarHBondContact O-N 3.18Å; R60-K63 WeakPolarHBondContact O-CD 3.49Å; R60-K63 VanDerWaalsContact O-CE 3.3Å; R60-K63 WeakPolarHBondContact O-CE 3.38Å; R60-K63 PolarHBondContact O-NZ 3Å; V61-K63 PolarHBondContact O-N 2.83Å
64Q95Very high89.9Confident96 Ų9657.1 Ų57.145%0.44927%0.27SS..  trans-71.6144.5177.4-173.6169.5-4.800111.2R58 H59 T62 Y66R58-Q64 CarbonylContact C-O 3.55Å; R58-Q64 WeakPolarHBondContact CA-O 3.32Å; H59-Q64 PolarHBondContact N-O 2.94Å; T62-Q64 PolarHBondContact O-N 3.25Å; T62-Q64 PolarHBondContact OG1-N 3.39Å; Q64-Y66 HydrophobicContact CB-CE2 3.8Å; Q64-Y66 HydrophobicContact CG-CE1 4.4Å; Q64-Y66 HydrophobicContact CG-CE2 3.79Å; Q64-Y66 PolarHBondContact OE1-OH 2.73Å
65H95.1Very high88.3Confident68 Ų6863.4 Ų63.432%0.31530%0.297SS..EExtended strand (participates in β ladder)trans-94144.6179.6-66.896.3000111.8K56 V57 I126K56-H65 VanDerWaalsContact CE-CD2 3.42Å; K56-H65 WeakPolarHBondContact CE-CD2 3.45Å; V57-H65 CarbonylContact O-C 3.57Å; V57-H65 VanDerWaalsContact O-CA 3.31Å; V57-H65 WeakPolarHBondContact O-CA 3.14Å; H65-I126 HydrophobicContact CB-CG2 4.05Å
66Y95.7Very high86.5Confident26 Ų2666.5 Ų66.510%0.10231%0.312CS..EExtended strand (participates in β ladder)trans-142.1167.3179.5-62-84.1000110.8Y40 K56 V57 H59 Q64 L123 F124Y40-Y66 HydrophobicContact CD1-CD2 4.11Å; Y40-Y66 AromaticContact CE1-CD2 3.65Å; Y40-Y66 HydrophobicContact CE1-CD2 3.65Å; Y40-Y66 AromaticContact CE1-CE2 3.93Å; Y40-Y66 HydrophobicContact CE1-CE2 3.93Å; Y40-Y66 HydrophobicContact CE1-CG 4.32Å; K56-Y66 WeakPolarHBondContact CA-O 3.29Å; V57-Y66 PolarHBondContact N-O 3.15Å; V57-Y66 PolarHBondContact O-N 2.9Å; H59-Y66 HydrophobicContact CB-CD2 4.31Å; H59-Y66 HydrophobicContact CB-CE2 3.87Å; Q64-Y66 HydrophobicContact CB-CE2 3.8Å; Q64-Y66 HydrophobicContact CG-CE1 4.4Å; Q64-Y66 HydrophobicContact CG-CE2 3.79Å; Q64-Y66 PolarHBondContact OE1-OH 2.73Å; Y66-L123 HydrophobicContact CD1-CD2 4.46Å; Y66-L123 HydrophobicContact CD1-CG 4.4Å; Y66-L123 HydrophobicContact CG-CD1 4.08Å; Y66-L123 HydrophobicContact CG-CG 4.37Å; Y66-F124 WeakPolarHBondContact CA-O 3.24Å; Y66-F124 WeakPolarHBondContact CB-O 3.31Å
67A95.5Very high84.5Confident11 Ų1169.7 Ų69.79%0.09134%0.337CS..EExtended strand (participates in β ladder)trans-104130167.100000110I46 V54 F55 F124 I126I46-A67 HydrophobicContact CD1-CB 4.25Å; V54-A67 HydrophobicContact CG1-CB 4.12Å; F55-A67 CarbonylContact O-C 3.49Å; F55-A67 WeakPolarHBondContact O-CA 3.39Å; A67-F124 HydrophobicContact CB-CB 4.33Å; A67-F124 PolarHBondContact N-O 3.39Å; A67-F124 PolarHBondContact O-N 3.46Å; A67-I126 HydrophobicContact CB-CD1 4Å
68L93.8Very high82.4Confident7 Ų777.4 Ų77.44%0.03737%0.373CS..EExtended strand (participates in β ladder)trans-116108-180-168.475.9000109.2V37 V54 F55 V57 C106 Y121 L122 L123V37-L68 HydrophobicContact CG2-CD2 3.81Å; V54-L68 WeakPolarHBondContact CA-O 3.3Å; F55-L68 PolarHBondContact N-O 3.23Å; F55-L68 PolarHBondContact O-N 2.96Å; V57-L68 HydrophobicContact CG1-CB 3.55Å; V57-L68 HydrophobicContact CG1-CD2 3.96Å; V57-L68 HydrophobicContact CG1-CG 4.36Å; V57-L68 HydrophobicContact CG2-CB 4.09Å; L68-C106 HydrophobicContact CD1-CB 4.46Å; L68-Y121 HydrophobicContact CD1-CD1 4.45Å; L68-Y121 HydrophobicContact CD1-CG 4.28Å; L68-Y121 HydrophobicContact CD2-CD1 3.62Å; L68-Y121 HydrophobicContact CD2-CE1 4.15Å; L68-Y121 HydrophobicContact CD2-CG 4.03Å; L68-Y121 HydrophobicContact CG-CD1 3.75Å; L68-Y121 HydrophobicContact CG-CG 4.08Å; L68-L122 WeakPolarHBondContact CA-O 3.42Å; L68-L123 HydrophobicContact CD1-CB 4.38Å; L68-L123 HydrophobicContact CD1-CD1 3.81Å
69K91.7Very high80.5Confident15 Ų1576.1 Ų76.17%0.06538%0.383CS..EExtended strand (participates in β ladder)trans-91.7110.9178179.6177.8172.9-172.10109.1E53 V54 E87 Y121 L122 F124 D187E53-K69 CarbonylContact O-C 3.58Å; E53-K69 WeakPolarHBondContact O-CA 3.39Å; V54-K69 HydrophobicContact CG2-CB 4.19Å; V54-K69 HydrophobicContact CG2-CG 4.16Å; K69-E87 VanDerWaalsContact NZ-CD 3.31Å; K69-E87 IonicContact NZ-OE1 3.26Å; K69-E87 PolarHBondContact NZ-OE1 3.45Å; K69-E87 IonicContact NZ-OE2 3.79Å; K69-E87 PolarHBondContact NZ-OE2 3.4Å; K69-E87 VanDerWaalsContact NZ-OE2 3.08Å; K69-Y121 CarbonylContact O-C 3.59Å; K69-Y121 VanDerWaalsContact O-CA 3.27Å; K69-Y121 WeakPolarHBondContact O-CA 3.12Å; K69-L122 HydrophobicContact CB-CB 4.35Å; K69-L122 PolarHBondContact N-O 3.37Å; K69-L122 PolarHBondContact O-N 3.47Å; K69-F124 HydrophobicContact CB-CD2 4.47Å; K69-F124 HydrophobicContact CB-CE2 4.03Å; K69-F124 HydrophobicContact CD-CE2 4.36Å; K69-D187 IonicContact NZ-OD1 3.23Å; K69-D187 PolarHBondContact NZ-OD1 3.03Å
70R88.2Confident78.9Confident53 Ų5376 Ų7620%0.238%0.383CS..EExtended strand (participates in β ladder)trans-71.6126.3173.3-178.9177.4167.5-140.1-8.4109.2G52 E53 F55 E74 Y121G52-R70 WeakPolarHBondContact CA-O 3.24Å; E53-R70 PolarHBondContact O-N 3.37Å; E53-R70 IonicContact OE2-NH1 3.31Å; E53-R70 PolarHBondContact OE2-NH1 2.87Å; F55-R70 HydrophobicContact CE2-CB 4.29Å; R70-E74 IonicContact CZ-OE1 3.17Å; R70-E74 IonicContact NH2-OE1 3.29Å; R70-E74 PolarHBondContact NH2-OE1 3.36Å; R70-Y121 HydrophobicContact CB-CD1 3.74Å; R70-Y121 HydrophobicContact CB-CE1 3.59Å; R70-Y121 HydrophobicContact CG-CD1 4.16Å; R70-Y121 HydrophobicContact CG-CE1 3.69Å
71L80.8Confident77.4Confident6 Ų670.1 Ų70.13%0.03136%0.361CS..EExtended strand (participates in β ladder)trans-81.4129.6175.1-62.3172.5000109.7T73 F80 A84 F120 L122L71-T73 PolarHBondContact O-N 2.74Å; L71-F80 HydrophobicContact CD1-CE1 4.32Å; L71-F80 HydrophobicContact CD1-CZ 3.82Å; L71-A84 HydrophobicContact CD1-CB 3.65Å; L71-A84 HydrophobicContact CD2-CB 3.85Å; L71-A84 HydrophobicContact CG-CB 4.2Å; L71-F120 HydrophobicContact CB-CB 4.45Å; L71-F120 HydrophobicContact CD1-CB 3.82Å; L71-F120 PolarHBondContact N-O 3.43Å; L71-L122 HydrophobicContact CD1-CD2 4.01Å; L71-L122 HydrophobicContact CD1-CG 4.14Å; L71-L122 HydrophobicContact CD2-CD1 3.96Å; L71-L122 HydrophobicContact CD2-CG 3.95Å; L71-L122 HydrophobicContact CG-CG 4.18Å
72K74.2Confident76.1Confident97 Ų9766.2 Ų66.242%0.42234%0.337SS..  trans-73113.2173.6-74.4174.8-179.2167.70109.7G49 T50 F51 P81G49-K72 PolarHBondContact O-NZ 3.18Å; T50-K72 WeakPolarHBondContact O-CD 3.33Å; T50-K72 PolarHBondContact O-NZ 3.06Å; F51-K72 PolarHBondContact O-N 3.11Å; K72-P81 WeakPolarHBondContact O-CG 3.47Å
73T66.2Low74.8Confident24 Ų2464.9 Ų64.915%0.14733%0.328CS..  trans-107.72.2176.256.80000112.9L71 Q75 E76 P81 F120L71-T73 PolarHBondContact O-N 2.74Å; T73-Q75 VanDerWaalsContact C-N 3.33Å; T73-Q75 PolarHBondContact O-N 3.1Å; T73-E76 PolarHBondContact O-N 3.46Å; T73-P81 HydrophobicContact CG2-CG 3.77Å; T73-F120 HydrophobicContact CG2-CD2 4.33Å
74E62.6Low73.8Confident131 Ų13159 Ų5961%0.61230%0.304SS*.THydrogen-bonded Turntrans-69.6-25.7-165.6-67168.2-170.300114R70R70-E74 IonicContact CZ-OE1 3.17Å; R70-E74 IonicContact NH2-OE1 3.29Å; R70-E74 PolarHBondContact NH2-OE1 3.36Å
75Q58.6Low72.9Confident170 Ų17055.1 Ų55.179%0.79429%0.286SS*.THydrogen-bonded Turntrans-96.9-8.1-178.5-67.3-179.6-6.200113.9T73T73-Q75 VanDerWaalsContact C-N 3.33Å; T73-Q75 PolarHBondContact O-N 3.1Å
76E56.6Low72.3Confident67 Ų6754.1 Ų54.131%0.31328%0.279SS..  trans-87.2118.8-174.7-63.1-69.2171.100110.1T73 P81T73-E76 PolarHBondContact O-N 3.46Å; E76-P81 HydrophobicContact CG-CB 3.89Å; E76-P81 HydrophobicContact CG-CG 3.88Å
77T53.1Low71.8Confident133 Ų13353.1 Ų53.182%0.81628%0.275SS*.SBendtrans-83.6-19.4173.746.80000112.5
78E50.9Low71.4Confident162 Ų16252.6 Ų52.676%0.75727%0.271SS*.SBendtrans-114.216.7-165.9-60.7-162.3160.500115.2
79G55.6Low71Confident49 Ų4956.4 Ų56.451%0.50529%0.285SS..SBendtrans115-137.2173.800000113.8
80F62.6Low70.9Confident28 Ų2856 Ų5612%0.12328%0.283CS..SBendtrans-70.7131.8-175.2-164.9-72.2000110.5L21 L71 V82 A84 L85 I88 F120L21-F80 HydrophobicContact CD2-CB 4.3Å; L71-F80 HydrophobicContact CD1-CE1 4.32Å; L71-F80 HydrophobicContact CD1-CZ 3.82Å; F80-V82 PolarHBondContact O-N 3.07Å; F80-A84 HydrophobicContact CD1-CB 4.21Å; F80-A84 HydrophobicContact CE1-CB 3.42Å; F80-A84 VanDerWaalsContact CE1-CB 3.42Å; F80-A84 HydrophobicContact CZ-CB 4.19Å; F80-L85 HydrophobicContact CD1-CD1 4.32Å; F80-L85 HydrophobicContact CD1-CD2 3.35Å; F80-L85 HydrophobicContact CD1-CG 3.46Å; F80-L85 VanDerWaalsContact CD1-CG 3.46Å; F80-L85 HydrophobicContact CD2-CD2 4.49Å; F80-L85 HydrophobicContact CE1-CD2 3.44Å; F80-L85 VanDerWaalsContact CE1-CD2 3.44Å; F80-L85 HydrophobicContact CE1-CG 3.83Å; F80-L85 HydrophobicContact CG-CD2 3.91Å; F80-L85 HydrophobicContact CG-CG 4.26Å; F80-L85 HydrophobicContact CZ-CD2 4.09Å; F80-I88 HydrophobicContact CE1-CD1 4.05Å; F80-I88 HydrophobicContact CZ-CD1 3.67Å; F80-F120 HydrophobicContact CD2-CD1 4.05Å; F80-F120 AromaticContact CD2-CD2 3.56Å; F80-F120 HydrophobicContact CD2-CD2 3.56Å; F80-F120 AromaticContact CD2-CE1 3.92Å; F80-F120 HydrophobicContact CD2-CE1 3.92Å; F80-F120 AromaticContact CD2-CE2 3.44Å; F80-F120 HydrophobicContact CD2-CE2 3.44Å; F80-F120 VanDerWaalsContact CD2-CE2 3.44Å; F80-F120 AromaticContact CD2-CG 3.86Å; F80-F120 HydrophobicContact CD2-CG 3.86Å; F80-F120 AromaticContact CD2-CZ 3.62Å; F80-F120 HydrophobicContact CD2-CZ 3.62Å; F80-F120 HydrophobicContact CE2-CB 3.83Å; F80-F120 AromaticContact CE2-CD1 3.44Å; F80-F120 HydrophobicContact CE2-CD1 3.44Å; F80-F120 VanDerWaalsContact CE2-CD1 3.44Å; F80-F120 AromaticContact CE2-CD2 3.51Å; F80-F120 HydrophobicContact CE2-CD2 3.51Å; F80-F120 AromaticContact CE2-CE1 3.73Å; F80-F120 HydrophobicContact CE2-CE1 3.73Å; F80-F120 AromaticContact CE2-CE2 3.82Å; F80-F120 HydrophobicContact CE2-CE2 3.82Å; F80-F120 AromaticContact CE2-CG 3.3Å; F80-F120 HydrophobicContact CE2-CG 3.3Å; F80-F120 AromaticContact CE2-CZ 3.91Å; F80-F120 HydrophobicContact CE2-CZ 3.91Å; F80-F120 HydrophobicContact CG-CE2 4.48Å; F80-F120 HydrophobicContact CZ-CB 4.22Å; F80-F120 HydrophobicContact CZ-CD1 4.47Å; F80-F120 HydrophobicContact CZ-CD2 4.49Å; F80-F120 HydrophobicContact CZ-CG 4.16Å
81P63.8Low71.1Confident2 Ų253.6 Ų53.61%0.01327%0.274CS..  trans-57.4122.2-178.1-18.725.3000112K72 T73 E76 T83 A84 L85K72-P81 WeakPolarHBondContact O-CG 3.47Å; T73-P81 HydrophobicContact CG2-CG 3.77Å; E76-P81 HydrophobicContact CG-CB 3.89Å; E76-P81 HydrophobicContact CG-CG 3.88Å; P81-T83 PolarHBondContact O-N 3.37Å; P81-A84 HydrophobicContact CB-CB 4.1Å; P81-A84 HydrophobicContact CG-CB 4.5Å; P81-A84 WeakPolarHBondContact O-CA 2.98Å; P81-A84 WeakPolarHBondContact O-CB 3.25Å; P81-A84 PolarHBondContact O-N 3.19Å; P81-L85 PolarHBondContact O-N 2.99Å; P81-L85 VanDerWaalsContact O-N 3.09Å
82V67.3Low71.5Confident39 Ų3955.5 Ų55.524%0.23629%0.288CS..Hα-helixtrans-62.9-31-177.4-175.10000111.9Y17 F80 A84 L85 R86Y17-V82 HydrophobicContact CD1-CB 4.01Å; Y17-V82 HydrophobicContact CD1-CG1 3.55Å; Y17-V82 HydrophobicContact CD1-CG2 3.41Å; Y17-V82 VanDerWaalsContact CD1-CG2 3.41Å; Y17-V82 HydrophobicContact CE1-CB 3.88Å; Y17-V82 HydrophobicContact CE1-CG1 3.27Å; Y17-V82 HydrophobicContact CE1-CG2 3.74Å; Y17-V82 HydrophobicContact CG-CG2 4.23Å; F80-V82 PolarHBondContact O-N 3.07Å; V82-A84 PolarHBondContact O-N 3.26Å; V82-L85 PolarHBondContact O-N 3.21Å; V82-R86 WeakPolarHBondContact O-CB 3.5Å; V82-R86 PolarHBondContact O-N 3.29Å
83T68.3Low72.3Confident53 Ų5354.5 Ų54.533%0.32529%0.294SS..Hα-helixtrans-57.2-40.6171.949.70000111.8P81 E87P81-T83 PolarHBondContact O-N 3.37Å; T83-E87 WeakPolarHBondContact O-CB 3.39Å; T83-E87 PolarHBondContact O-N 3.31Å
84A73.8Confident73.6Confident3 Ų353.9 Ų53.93%0.02529%0.289CS..Hα-helixtrans-74.1-38.1178.300000112.4L71 F80 P81 V82 R86 E87 I88L71-A84 HydrophobicContact CD1-CB 3.65Å; L71-A84 HydrophobicContact CD2-CB 3.85Å; L71-A84 HydrophobicContact CG-CB 4.2Å; F80-A84 HydrophobicContact CD1-CB 4.21Å; F80-A84 HydrophobicContact CE1-CB 3.42Å; F80-A84 VanDerWaalsContact CE1-CB 3.42Å; F80-A84 HydrophobicContact CZ-CB 4.19Å; P81-A84 HydrophobicContact CB-CB 4.1Å; P81-A84 HydrophobicContact CG-CB 4.5Å; P81-A84 WeakPolarHBondContact O-CA 2.98Å; P81-A84 WeakPolarHBondContact O-CB 3.25Å; P81-A84 PolarHBondContact O-N 3.19Å; V82-A84 PolarHBondContact O-N 3.26Å; A84-R86 VanDerWaalsContact C-N 3.28Å; A84-R86 PolarHBondContact O-N 2.98Å; A84-E87 PolarHBondContact O-N 2.94Å; A84-I88 WeakPolarHBondContact O-CD1 3.41Å; A84-I88 VanDerWaalsContact O-CG1 3.24Å; A84-I88 WeakPolarHBondContact O-CG1 3.48Å; A84-I88 PolarHBondContact O-N 3.41Å
85L77Confident75.1Confident13 Ų1351.3 Ų51.37%0.06829%0.286CS..Hα-helixtrans-60.3-41.9173.6-69.2-178.6000111.8L21 V24 L28 F80 P81 V82 I88 R89L21-L85 HydrophobicContact CD2-CD1 3.66Å; L21-L85 HydrophobicContact CG-CD1 4.41Å; V24-L85 HydrophobicContact CB-CD1 4.22Å; V24-L85 HydrophobicContact CB-CD2 4.41Å; V24-L85 HydrophobicContact CG1-CB 4.17Å; V24-L85 HydrophobicContact CG1-CD1 3.83Å; V24-L85 HydrophobicContact CG1-CD2 3.23Å; V24-L85 HydrophobicContact CG1-CG 3.9Å; V24-L85 HydrophobicContact CG2-CD1 4.41Å; L28-L85 HydrophobicContact CD1-CD2 3.91Å; F80-L85 HydrophobicContact CD1-CD1 4.32Å; F80-L85 HydrophobicContact CD1-CD2 3.35Å; F80-L85 HydrophobicContact CD1-CG 3.46Å; F80-L85 VanDerWaalsContact CD1-CG 3.46Å; F80-L85 HydrophobicContact CD2-CD2 4.49Å; F80-L85 HydrophobicContact CE1-CD2 3.44Å; F80-L85 VanDerWaalsContact CE1-CD2 3.44Å; F80-L85 HydrophobicContact CE1-CG 3.83Å; F80-L85 HydrophobicContact CG-CD2 3.91Å; F80-L85 HydrophobicContact CG-CG 4.26Å; F80-L85 HydrophobicContact CZ-CD2 4.09Å; P81-L85 PolarHBondContact O-N 2.99Å; P81-L85 VanDerWaalsContact O-N 3.09Å; V82-L85 PolarHBondContact O-N 3.21Å; L85-I88 PolarHBondContact O-N 3.25Å; L85-R89 VanDerWaalsContact O-CB 3.29Å; L85-R89 WeakPolarHBondContact O-CB 3.3Å; L85-R89 PolarHBondContact O-N 2.88Å
86R81.9Confident77Confident48 Ų4845.7 Ų45.718%0.18126%0.259CS..Hα-helixtrans-63.1-47.1175.6-176.1-172.8-55.7117.87.5111.7V82 A84 I88 R89 I90 A191 R192V82-R86 WeakPolarHBondContact O-CB 3.5Å; V82-R86 PolarHBondContact O-N 3.29Å; A84-R86 VanDerWaalsContact C-N 3.28Å; A84-R86 PolarHBondContact O-N 2.98Å; R86-I88 VanDerWaalsContact C-N 3.33Å; R86-I88 PolarHBondContact O-N 2.77Å; R86-R89 PolarHBondContact O-N 3.39Å; R86-I90 HydrophobicContact CG-CD1 3.98Å; R86-I90 WeakPolarHBondContact O-CG1 3.34Å; R86-I90 PolarHBondContact O-N 3.16Å; R86-A191 WeakPolarHBondContact CD-O 3.36Å; R86-R192 VanDerWaalsContact NE-NH1 3.17Å
87E86.1Confident78.9Confident4 Ų448.3 Ų48.32%0.01927%0.272CS..Hα-helixtrans-58-46.8177179.8170.3-167.500110.5K69 T83 A84 I90 L91 L122 F188K69-E87 VanDerWaalsContact NZ-CD 3.31Å; K69-E87 IonicContact NZ-OE1 3.26Å; K69-E87 PolarHBondContact NZ-OE1 3.45Å; K69-E87 IonicContact NZ-OE2 3.79Å; K69-E87 PolarHBondContact NZ-OE2 3.4Å; K69-E87 VanDerWaalsContact NZ-OE2 3.08Å; T83-E87 WeakPolarHBondContact O-CB 3.39Å; T83-E87 PolarHBondContact O-N 3.31Å; A84-E87 PolarHBondContact O-N 2.94Å; E87-I90 PolarHBondContact O-N 3.05Å; E87-L91 HydrophobicContact CG-CD1 3.66Å; E87-L91 HydrophobicContact CG-CG 4.45Å; E87-L91 WeakPolarHBondContact O-CB 3.37Å; E87-L91 VanDerWaalsContact O-CG 3.3Å; E87-L91 WeakPolarHBondContact O-CG 3.49Å; E87-L91 PolarHBondContact O-N 2.98Å; E87-L122 HydrophobicContact CG-CD1 4.14Å; E87-F188 HydrophobicContact CG-CB 4.12Å
88I85.5Confident81.1Confident0 Ų042.1 Ų42.10%023%0.234CC..Hα-helixtrans-61.2-49176.5-65160.1000110.8L28 T32 F80 A84 L85 R86 I90 L91 S92 L102 V105 L122L28-I88 HydrophobicContact CD2-CB 4.18Å; L28-I88 HydrophobicContact CD2-CD1 4.33Å; L28-I88 HydrophobicContact CD2-CG2 3.24Å; T32-I88 HydrophobicContact CG2-CG2 4.39Å; F80-I88 HydrophobicContact CE1-CD1 4.05Å; F80-I88 HydrophobicContact CZ-CD1 3.67Å; A84-I88 WeakPolarHBondContact O-CD1 3.41Å; A84-I88 VanDerWaalsContact O-CG1 3.24Å; A84-I88 WeakPolarHBondContact O-CG1 3.48Å; A84-I88 PolarHBondContact O-N 3.41Å; L85-I88 PolarHBondContact O-N 3.25Å; R86-I88 VanDerWaalsContact C-N 3.33Å; R86-I88 PolarHBondContact O-N 2.77Å; I88-I90 VanDerWaalsContact C-N 3.32Å; I88-I90 PolarHBondContact O-N 2.96Å; I88-L91 PolarHBondContact O-N 2.92Å; I88-S92 VanDerWaalsContact O-CB 3.3Å; I88-S92 WeakPolarHBondContact O-CB 3.48Å; I88-S92 PolarHBondContact O-N 2.86Å; I88-S92 PolarHBondContact O-OG 3.41Å; I88-L102 HydrophobicContact CB-CD2 4.45Å; I88-L102 HydrophobicContact CG2-CD2 3.89Å; I88-V105 HydrophobicContact CD1-CG2 3.82Å; I88-V105 HydrophobicContact CG1-CG2 4Å; I88-V105 HydrophobicContact CG2-CG2 4.13Å; I88-L122 HydrophobicContact CD1-CD2 3.89Å; I88-L122 HydrophobicContact CG1-CD2 3.5Å
89R86.7Confident83.3Confident88 Ų8834.6 Ų34.633%0.33220%0.199SC..Hα-helixtrans-59.2-44-178.1179.5174.8171.5-157.9-11.3112.4E12 L85 R86 S93E12-R89 IonicContact OE1-CZ 3.43Å; E12-R89 VanDerWaalsContact OE1-CZ 3.29Å; E12-R89 IonicContact OE1-NE 3.34Å; E12-R89 IonicContact OE1-NH1 2.73Å; E12-R89 PolarHBondContact OE1-NH1 3.07Å; E12-R89 IonicContact OE1-NH2 3.09Å; E12-R89 PolarHBondContact OE1-NH2 3.32Å; E12-R89 IonicContact OE2-CZ 2.75Å; E12-R89 IonicContact OE2-NH1 2.57Å; E12-R89 PolarHBondContact OE2-NH1 2.84Å; E12-R89 IonicContact OE2-NH2 3.94Å; E12-R89 PolarHBondContact OE2-NH2 3.42Å; L85-R89 VanDerWaalsContact O-CB 3.29Å; L85-R89 WeakPolarHBondContact O-CB 3.3Å; L85-R89 PolarHBondContact O-N 2.88Å; R86-R89 PolarHBondContact O-N 3.39Å; R89-S93 PolarHBondContact O-N 3.39Å
90I89.9Confident85.3Confident5 Ų532.8 Ų32.83%0.02618%0.178CC..Hα-helixtrans-65.2-51.6176.4-69.4172.3000109.4R86 E87 I88 S92 S93 L94 V165 F188 A191 L193R86-I90 HydrophobicContact CG-CD1 3.98Å; R86-I90 WeakPolarHBondContact O-CG1 3.34Å; R86-I90 PolarHBondContact O-N 3.16Å; E87-I90 PolarHBondContact O-N 3.05Å; I88-I90 VanDerWaalsContact C-N 3.32Å; I88-I90 PolarHBondContact O-N 2.96Å; I90-S92 VanDerWaalsContact C-N 3.32Å; I90-S92 PolarHBondContact O-N 3.27Å; I90-S93 PolarHBondContact O-N 3.21Å; I90-S93 VanDerWaalsContact O-N 3.14Å; I90-S93 PolarHBondContact O-OG 2.94Å; I90-L94 HydrophobicContact CG2-CD1 3.67Å; I90-L94 HydrophobicContact CG2-CG 4.48Å; I90-L94 VanDerWaalsContact O-CG 3.25Å; I90-L94 WeakPolarHBondContact O-CG 3.25Å; I90-L94 PolarHBondContact O-N 2.92Å; I90-V165 HydrophobicContact CG2-CG1 3.93Å; I90-V165 HydrophobicContact CG2-CG2 4.07Å; I90-F188 HydrophobicContact CG2-CD1 3.9Å; I90-A191 HydrophobicContact CD1-CB 3.79Å; I90-A191 HydrophobicContact CG2-CB 4.44Å; I90-L193 HydrophobicContact CG1-CG 4.45Å
91L92Very high86.8Confident3 Ų337.4 Ų37.42%0.01619%0.194CC..Hα-helixtrans-63.5-35.6-177.3-74.4168.5000113.4E87 I88 S93 L94 V100 L102 F124 F188E87-L91 HydrophobicContact CG-CD1 3.66Å; E87-L91 HydrophobicContact CG-CG 4.45Å; E87-L91 WeakPolarHBondContact O-CB 3.37Å; E87-L91 VanDerWaalsContact O-CG 3.3Å; E87-L91 WeakPolarHBondContact O-CG 3.49Å; E87-L91 PolarHBondContact O-N 2.98Å; I88-L91 PolarHBondContact O-N 2.92Å; L91-S93 PolarHBondContact O-N 2.93Å; L91-L94 PolarHBondContact O-N 2.94Å; L91-V100 HydrophobicContact CD2-CG2 3.99Å; L91-L102 HydrophobicContact CB-CB 3.85Å; L91-L102 HydrophobicContact CB-CD2 4.06Å; L91-F124 HydrophobicContact CD1-CE1 3.8Å; L91-F124 HydrophobicContact CD1-CZ 3.81Å; L91-F188 HydrophobicContact CD1-CB 4.47Å; L91-F188 HydrophobicContact CD2-CB 4.24Å; L91-F188 HydrophobicContact CD2-CD2 3.55Å; L91-F188 HydrophobicContact CD2-CE2 4.01Å; L91-F188 HydrophobicContact CD2-CG 3.85Å; L91-F188 HydrophobicContact CG-CB 4.16Å; L91-F188 HydrophobicContact CG-CD2 4.38Å; L91-F188 HydrophobicContact CG-CG 4.28Å
92S89.5Confident88.2Confident46 Ų4638.3 Ų38.332%0.32220%0.199SC..Hα-helixtrans-68-20177.8-66.20000113.1T32 I88 I90T32-S92 PolarHBondContact OG1-OG 2.91Å; T32-S92 VanDerWaalsContact OG1-OG 3.04Å; I88-S92 VanDerWaalsContact O-CB 3.3Å; I88-S92 WeakPolarHBondContact O-CB 3.48Å; I88-S92 PolarHBondContact O-N 2.86Å; I88-S92 PolarHBondContact O-OG 3.41Å; I90-S92 VanDerWaalsContact C-N 3.32Å; I90-S92 PolarHBondContact O-N 3.27Å
93S89.6Confident89.3Confident77 Ų7741.5 Ų41.554%0.53821%0.207SC..THydrogen-bonded Turntrans-93.1-3.3174.470.80000113.9R89 I90 L91R89-S93 PolarHBondContact O-N 3.39Å; I90-S93 PolarHBondContact O-N 3.21Å; I90-S93 VanDerWaalsContact O-N 3.14Å; I90-S93 PolarHBondContact O-OG 2.94Å; L91-S93 PolarHBondContact O-N 2.93Å
94L93.5Very high90.3Very high11 Ų1139 Ų396%0.05819%0.192CC..  trans-106127.5-175-62.9172.6000111.4I90 L91 V99 F159 L160 N163 V165 F188I90-L94 HydrophobicContact CG2-CD1 3.67Å; I90-L94 HydrophobicContact CG2-CG 4.48Å; I90-L94 VanDerWaalsContact O-CG 3.25Å; I90-L94 WeakPolarHBondContact O-CG 3.25Å; I90-L94 PolarHBondContact O-N 2.92Å; L91-L94 PolarHBondContact O-N 2.94Å; L94-V99 HydrophobicContact CB-CG1 4.37Å; L94-V99 HydrophobicContact CD1-CG1 4.28Å; L94-F159 HydrophobicContact CB-CE1 4.12Å; L94-F159 HydrophobicContact CD2-CD1 4.49Å; L94-F159 HydrophobicContact CD2-CE1 3.61Å; L94-F159 HydrophobicContact CD2-CZ 4.16Å; L94-F159 HydrophobicContact CG-CE1 4.41Å; L94-L160 HydrophobicContact CD1-CD2 3.62Å; L94-L160 HydrophobicContact CD2-CD2 4.04Å; L94-L160 HydrophobicContact CG-CD2 4.43Å; L94-N163 HydrophobicContact CD2-CB 4.15Å; L94-V165 HydrophobicContact CD1-CG2 4.45Å; L94-V165 HydrophobicContact CD2-CG2 4.1Å; L94-F188 HydrophobicContact CD1-CD1 4.27Å; L94-F188 HydrophobicContact CD1-CE1 3.78Å; L94-F188 HydrophobicContact CD1-CZ 4.28Å
95S95Very high90.9Very high77 Ų7739.3 Ų39.354%0.53819%0.193SC..  trans-138.9102.9172.7-149.70000110.1R101 F159S95-R101 PolarHBondContact OG-NH1 3.2Å; S95-F159 WeakPolarHBondContact O-CZ 3.33Å
96H97.8Very high91.2Very high51 Ų5138.7 Ų38.724%0.23619%0.19CC..  trans-157.5148.3-179.4-171.4-95.4000110.1N98 V99 F159H96-N98 VanDerWaalsContact C-N 3.28Å; H96-N98 PolarHBondContact CE1-OD1 3.1Å; H96-N98 PolarHBondContact ND1-N 3.5Å; H96-N98 PolarHBondContact O-N 3.19Å; H96-V99 HydrophobicContact CB-CB 4.31Å; H96-V99 HydrophobicContact CB-CG2 4.2Å; H96-V99 PolarHBondContact O-N 2.58Å; H96-V99 VanDerWaalsContact O-O 3.12Å; H96-F159 HydrophobicContact CB-CB 4.43Å; H96-F159 HydrophobicContact CB-CD1 3.46Å; H96-F159 VanDerWaalsContact CB-CD1 3.46Å; H96-F159 HydrophobicContact CB-CD2 3.9Å; H96-F159 HydrophobicContact CB-CE1 3.54Å; H96-F159 HydrophobicContact CB-CE2 3.98Å; H96-F159 HydrophobicContact CB-CG 3.65Å; H96-F159 HydrophobicContact CB-CZ 3.82Å; H96-F159 AromaticContact CD2-CD2 3.56Å; H96-F159 AromaticContact CD2-CG 3.58Å; H96-F159 AromaticContact CG-CD1 3.84Å; H96-F159 AromaticContact CG-CD2 3.9Å; H96-F159 AromaticContact CG-CG 3.58Å
97E97.7Very high90.9Very high122 Ų12239.9 Ų39.957%0.5720%0.198SC*.THydrogen-bonded Turntrans-62.1-36.7-177.865.9-177.6120.600112.8V99 V182 K184E97-V99 PolarHBondContact O-N 3.26Å; E97-V182 HydrophobicContact CB-CG1 4.28Å; E97-V182 WeakPolarHBondContact O-CG1 3.44Å; E97-K184 PolarHBondContact O-NZ 3.02Å
98N98.6Very high90.4Very high3 Ų343.5 Ų43.52%0.01621%0.213CC..THydrogen-bonded Turntrans-91.817.9-179.2-51121.9000115.5H96 Q152 L183 I185H96-N98 VanDerWaalsContact C-N 3.28Å; H96-N98 PolarHBondContact CE1-OD1 3.1Å; H96-N98 PolarHBondContact ND1-N 3.5Å; H96-N98 PolarHBondContact O-N 3.19Å; N98-Q152 WeakPolarHBondContact CB-O 3.35Å; N98-Q152 VanDerWaalsContact CG-O 3.31Å; N98-Q152 WeakPolarHBondContact ND2-CB 3.38Å; N98-Q152 PolarHBondContact ND2-OE1 3.41Å; N98-Q152 VanDerWaalsContact ND2-OE1 3.11Å; N98-Q152 PolarHBondContact OD1-O 3.28Å; N98-L183 WeakPolarHBondContact CA-O 3.32Å; N98-L183 WeakPolarHBondContact CB-O 3.41Å; N98-L183 PolarHBondContact ND2-O 3.28Å; N98-I185 PolarHBondContact O-N 3.43Å
99V98.2Very high89.6Confident4 Ų449.3 Ų49.32%0.02424%0.239CC..BIsolated β-bridgetrans-128.9137.6173.8176.60000108.4L94 H96 E97 R101 F159 L160 F188L94-V99 HydrophobicContact CB-CG1 4.37Å; L94-V99 HydrophobicContact CD1-CG1 4.28Å; H96-V99 HydrophobicContact CB-CB 4.31Å; H96-V99 HydrophobicContact CB-CG2 4.2Å; H96-V99 PolarHBondContact O-N 2.58Å; H96-V99 VanDerWaalsContact O-O 3.12Å; E97-V99 PolarHBondContact O-N 3.26Å; V99-R101 PolarHBondContact O-N 2.96Å; V99-F159 HydrophobicContact CG2-CD1 3.96Å; V99-F159 HydrophobicContact CG2-CE1 4.41Å; V99-L160 HydrophobicContact CG1-CD2 4.29Å; V99-L160 HydrophobicContact CG2-CD2 3.82Å; V99-L160 HydrophobicContact CG2-CG 4.04Å; V99-F188 HydrophobicContact CG1-CE2 3.92Å; V99-F188 HydrophobicContact CG1-CZ 3.61Å
100V96.5Very high88.7Confident12 Ų1245.6 Ų45.67%0.07323%0.226CC..  trans-58.7132.7177.2-68.70000111.2L91 F124 L176 K184 I185 A186 F188L91-V100 HydrophobicContact CD2-CG2 3.99Å; V100-F124 HydrophobicContact CB-CD1 4.22Å; V100-F124 HydrophobicContact CG2-CD1 4.29Å; V100-F124 HydrophobicContact CG2-CE1 4.14Å; V100-L176 HydrophobicContact CG1-CD1 3.99Å; V100-K184 HydrophobicContact CG1-CB 3.84Å; V100-I185 WeakPolarHBondContact CG1-O 3.39Å; V100-I185 WeakPolarHBondContact CG2-O 3.14Å; V100-I185 PolarHBondContact N-O 3.48Å; V100-A186 HydrophobicContact CG1-CB 3.56Å; V100-A186 HydrophobicContact CG2-CB 4.29Å; V100-F188 HydrophobicContact CG2-CD2 4.23Å; V100-F188 HydrophobicContact CG2-CE2 4.06Å
101R94.1Very high87.6Confident124 Ų12448.1 Ų48.147%0.46825%0.248SC..  trans-91.7119.2179-174.1178-176.8120.61.8110.2S95 V99 R103 F124S95-R101 PolarHBondContact OG-NH1 3.2Å; V99-R101 PolarHBondContact O-N 2.96Å; R101-R103 PolarHBondContact O-N 2.94Å; R101-F124 WeakPolarHBondContact O-CD1 3.28Å
102L93.1Very high86.2Confident21 Ų2152.2 Ų52.211%0.1128%0.275CS..EExtended strand (participates in β ladder)trans-69.5114.8166.6-179.564.7000108.9T32 I88 L91 G104 L122 F124T32-L102 HydrophobicContact CG2-CD2 4.39Å; I88-L102 HydrophobicContact CB-CD2 4.45Å; I88-L102 HydrophobicContact CG2-CD2 3.89Å; L91-L102 HydrophobicContact CB-CB 3.85Å; L91-L102 HydrophobicContact CB-CD2 4.06Å; L102-G104 WeakPolarHBondContact CD1-O 3.35Å; L102-L122 HydrophobicContact CD1-CB 3.89Å; L102-L122 HydrophobicContact CD1-CD2 4.13Å; L102-L122 HydrophobicContact CD1-CG 4.45Å; L102-F124 HydrophobicContact CB-CE1 4.19Å; L102-F124 HydrophobicContact CD1-CE1 4.05Å; L102-F124 HydrophobicContact CD1-CZ 4.12Å
103R91.5Very high85Confident107 Ų10755.4 Ų55.440%0.40430%0.297SS..EExtended strand (participates in β ladder)trans-81.4-31.6177.6-69.5-67.3-173.6175.7-3.6112.1R101 L123 D125R101-R103 PolarHBondContact O-N 2.94Å; R103-L123 HydrophobicContact CB-CB 4.33Å; R103-L123 HydrophobicContact CB-CD2 4.02Å; R103-L123 HydrophobicContact CB-CG 4.2Å; R103-L123 WeakPolarHBondContact CB-O 3.42Å; R103-L123 PolarHBondContact N-O 3.09Å; R103-D125 IonicContact CZ-OD1 3.35Å; R103-D125 VanDerWaalsContact CZ-OD1 3.29Å; R103-D125 IonicContact CZ-OD2 3.29Å; R103-D125 VanDerWaalsContact NE-CG 3.31Å; R103-D125 IonicContact NE-OD1 2.68Å; R103-D125 PolarHBondContact NE-OD1 3.23Å; R103-D125 IonicContact NE-OD2 2.67Å; R103-D125 PolarHBondContact NE-OD2 2.98Å; R103-D125 VanDerWaalsContact NH2-CG 3.28Å; R103-D125 IonicContact NH2-OD1 3.17Å; R103-D125 PolarHBondContact NH2-OD1 3.17Å; R103-D125 IonicContact NH2-OD2 3.32Å; R103-D125 PolarHBondContact NH2-OD2 3.07Å
104G87.6Confident83.6Confident1 Ų153.6 Ų53.61%0.0129%0.285CS..EExtended strand (participates in β ladder)trans171173.6179.500000112.1T33 L102 L123T33-G104 CarbonylContact O-C 3.54Å; T33-G104 WeakPolarHBondContact O-CA 3.37Å; L102-G104 WeakPolarHBondContact CD1-O 3.35Å; G104-L123 PolarHBondContact O-N 3.49Å
105V86.5Confident82.1Confident9 Ų959.4 Ų59.46%0.05532%0.316CS..EExtended strand (participates in β ladder)trans-108.8119.8175176.70000107.6T32 T33 T34 L35 I88 Y121 L122T32-V105 HydrophobicContact CG2-CB 4.23Å; T32-V105 HydrophobicContact CG2-CG2 3.59Å; T33-V105 PolarHBondContact O-N 3.4Å; T34-V105 WeakPolarHBondContact CA-O 3.46Å; L35-V105 PolarHBondContact N-O 2.71Å; I88-V105 HydrophobicContact CD1-CG2 3.82Å; I88-V105 HydrophobicContact CG1-CG2 4Å; I88-V105 HydrophobicContact CG2-CG2 4.13Å; V105-Y121 CarbonylContact C-O 3.53Å; V105-Y121 WeakPolarHBondContact CA-O 3.37Å; V105-L122 HydrophobicContact CG2-CD2 3.84Å
106C83.8Confident80.2Confident0 Ų062.2 Ų62.20%032%0.315CS..EExtended strand (participates in β ladder)trans-96.2148.6174-42.70000110.2L35 V37 L68 F120 Y121L35-C106 VanDerWaalsContact O-CA 3.26Å; L35-C106 WeakPolarHBondContact O-CA 3.38Å; V37-C106 HydrophobicContact CB-CB 3.95Å; V37-C106 HydrophobicContact CG2-CB 4.19Å; L68-C106 HydrophobicContact CD1-CB 4.46Å; C106-F120 WeakPolarHBondContact O-CA 3.42Å; C106-Y121 PolarHBondContact N-O 2.83Å; C106-Y121 PolarHBondContact O-N 3.42Å
107H76.7Confident78.6Confident73 Ų7366.4 Ų66.434%0.33833%0.329SS..EExtended strand (participates in β ladder)trans-133.7156.3173.363.8-88.9000111.6E119 F120H107-E119 CarbonylContact C-O 3.53Å; H107-E119 VanDerWaalsContact CA-O 3.23Å; H107-E119 WeakPolarHBondContact CA-O 3.22Å; H107-F120 HydrophobicContact CB-CD1 3.82Å; H107-F120 HydrophobicContact CB-CE1 3.96Å
108K75.1Confident77.2Confident79 Ų7966.4 Ų66.434%0.34333%0.325SS..EExtended strand (participates in β ladder)trans-140.3140.5171.8-159-179.8173122.80110V37 D38 A110 Y118 E119V37-K108 HydrophobicContact CG1-CB 3.57Å; V37-K108 HydrophobicContact CG1-CD 3.8Å; V37-K108 HydrophobicContact CG1-CG 3.74Å; D38-K108 IonicContact OD1-NZ 2.99Å; D38-K108 PolarHBondContact OD1-NZ 3.43Å; D38-K108 IonicContact OD2-NZ 3.94Å; K108-A110 PolarHBondContact O-N 3.49Å; K108-Y118 WeakPolarHBondContact O-CA 3.35Å; K108-E119 PolarHBondContact N-O 3.19Å; K108-E119 PolarHBondContact O-N 3.08Å
109K68.5Low76.1Confident123 Ų12368.5 Ų68.554%0.53534%0.335SS..EExtended strand (participates in β ladder)trans-70.4115.8163-163.5175.8-170.6-177.20107.8Y116 Y118K109-Y116 HydrophobicContact CD-CD1 4.5Å; K109-Y118 HydrophobicContact CB-CE1 4.37Å
110A67.2Low75.2Confident9 Ų970.6 Ų70.67%0.07434%0.343CS..  trans-69.6161.9-179.300000111.2K108 S114 R117 E119K108-A110 PolarHBondContact O-N 3.49Å; A110-S114 WeakPolarHBondContact CB-OG 3.26Å; A110-R117 WeakPolarHBondContact CB-O 3.42Å; A110-R117 PolarHBondContact N-O 2.99Å; A110-E119 HydrophobicContact CB-CG 4.03Å
111A67.7Low74.8Confident58 Ų5870.9 Ų70.948%0.47934%0.343SS..  trans-57.9157.4-175.600000111.8S113 S114A111-S113 PolarHBondContact O-N 2.83Å; A111-S114 PolarHBondContact O-N 3.38Å; A111-S114 PolarHBondContact O-OG 3.06Å
112P61.6Low74.5Confident90 Ų9065 Ų6558%0.58432%0.321SS*.G310 helixtrans-51.5-28.9-179.6-27.534.4000114.3S114 N115 Y116P112-S114 PolarHBondContact O-N 3.39Å; P112-S114 VanDerWaalsContact O-N 3.14Å; P112-N115 PolarHBondContact O-N 2.93Å; P112-Y116 HydrophobicContact CB-CE1 4.36Å; P112-Y116 HydrophobicContact CG-CE1 4.3Å
113S65.2Low74.5Confident113 Ų11364 Ų6479%0.7932%0.316SS*.G310 helixtrans-62.9-12.4175.454.10000115.4A111A111-S113 PolarHBondContact O-N 2.83Å
114S59.6Low74.7Confident39 Ų3959.9 Ų59.927%0.27330%0.301SS..G310 helixtrans-107.520.2-177.965.70000113.4A110 A111 P112 Y116 R117A110-S114 WeakPolarHBondContact CB-OG 3.26Å; A111-S114 PolarHBondContact O-N 3.38Å; A111-S114 PolarHBondContact O-OG 3.06Å; P112-S114 PolarHBondContact O-N 3.39Å; P112-S114 VanDerWaalsContact O-N 3.14Å; S114-Y116 PolarHBondContact O-N 3.5Å; S114-R117 WeakPolarHBondContact O-CG 3.47Å; S114-R117 PolarHBondContact O-N 3.37Å
115N61.2Low75.1Confident133 Ų13361.7 Ų61.771%0.71131%0.31SS*.THydrogen-bonded Turntrans54.333.5-173.6-68.2-17.7000113.3P112 R117P112-N115 PolarHBondContact O-N 2.93Å; N115-R117 PolarHBondContact O-N 3.02Å
116Y56.1Low75.4Confident135 Ų13562.9 Ų62.953%0.52932%0.316SS..THydrogen-bonded Turntrans57.425.5-179.1-57.2-79.5000115K109 P112 S114K109-Y116 HydrophobicContact CD-CD1 4.5Å; P112-Y116 HydrophobicContact CB-CE1 4.36Å; P112-Y116 HydrophobicContact CG-CE1 4.3Å; S114-Y116 PolarHBondContact O-N 3.5Å
117R65.1Low76Confident140 Ų14063.3 Ų63.353%0.52832%0.319SS..PPolyproline II helixtrans-64.3149.1174.9-71.9-178.3176.2174.3-2.3110.6A110 S114 N115A110-R117 WeakPolarHBondContact CB-O 3.42Å; A110-R117 PolarHBondContact N-O 2.99Å; S114-R117 WeakPolarHBondContact O-CG 3.47Å; S114-R117 PolarHBondContact O-N 3.37Å; N115-R117 PolarHBondContact O-N 3.02Å
118Y67.5Low76.7Confident121 Ų12161.1 Ų61.148%0.47531%0.309SS..EExtended strand (participates in β ladder)trans-79137.6171.7-76.1-87.8000110.2K108 K109 F120K108-Y118 WeakPolarHBondContact O-CA 3.35Å; K109-Y118 HydrophobicContact CB-CE1 4.37Å; Y118-F120 HydrophobicContact CG-CZ 4.43Å
119E75.3Confident77.5Confident48 Ų4857.3 Ų57.322%0.22429%0.292CS..EExtended strand (participates in β ladder)trans-96.3133.4163.8-75.2173.3176.300108.9H107 K108 A110 Y121H107-E119 CarbonylContact C-O 3.53Å; H107-E119 VanDerWaalsContact CA-O 3.23Å; H107-E119 WeakPolarHBondContact CA-O 3.22Å; K108-E119 PolarHBondContact N-O 3.19Å; K108-E119 PolarHBondContact O-N 3.08Å; A110-E119 HydrophobicContact CB-CG 4.03Å; E119-Y121 HydrophobicContact CB-CE2 3.59Å; E119-Y121 PolarHBondContact OE2-OH 2.98Å
120F79.8Confident78.8Confident47 Ų4752 Ų5221%0.20627%0.27CS..EExtended strand (participates in β ladder)trans-114.4145.9178.9-62.8-81.7000111.1L71 T73 F80 C106 H107 Y118L71-F120 HydrophobicContact CB-CB 4.45Å; L71-F120 HydrophobicContact CD1-CB 3.82Å; L71-F120 PolarHBondContact N-O 3.43Å; T73-F120 HydrophobicContact CG2-CD2 4.33Å; F80-F120 HydrophobicContact CD2-CD1 4.05Å; F80-F120 AromaticContact CD2-CD2 3.56Å; F80-F120 HydrophobicContact CD2-CD2 3.56Å; F80-F120 AromaticContact CD2-CE1 3.92Å; F80-F120 HydrophobicContact CD2-CE1 3.92Å; F80-F120 AromaticContact CD2-CE2 3.44Å; F80-F120 HydrophobicContact CD2-CE2 3.44Å; F80-F120 VanDerWaalsContact CD2-CE2 3.44Å; F80-F120 AromaticContact CD2-CG 3.86Å; F80-F120 HydrophobicContact CD2-CG 3.86Å; F80-F120 AromaticContact CD2-CZ 3.62Å; F80-F120 HydrophobicContact CD2-CZ 3.62Å; F80-F120 HydrophobicContact CE2-CB 3.83Å; F80-F120 AromaticContact CE2-CD1 3.44Å; F80-F120 HydrophobicContact CE2-CD1 3.44Å; F80-F120 VanDerWaalsContact CE2-CD1 3.44Å; F80-F120 AromaticContact CE2-CD2 3.51Å; F80-F120 HydrophobicContact CE2-CD2 3.51Å; F80-F120 AromaticContact CE2-CE1 3.73Å; F80-F120 HydrophobicContact CE2-CE1 3.73Å; F80-F120 AromaticContact CE2-CE2 3.82Å; F80-F120 HydrophobicContact CE2-CE2 3.82Å; F80-F120 AromaticContact CE2-CG 3.3Å; F80-F120 HydrophobicContact CE2-CG 3.3Å; F80-F120 AromaticContact CE2-CZ 3.91Å; F80-F120 HydrophobicContact CE2-CZ 3.91Å; F80-F120 HydrophobicContact CG-CE2 4.48Å; F80-F120 HydrophobicContact CZ-CB 4.22Å; F80-F120 HydrophobicContact CZ-CD1 4.47Å; F80-F120 HydrophobicContact CZ-CD2 4.49Å; F80-F120 HydrophobicContact CZ-CG 4.16Å; C106-F120 WeakPolarHBondContact O-CA 3.42Å; H107-F120 HydrophobicContact CB-CD1 3.82Å; H107-F120 HydrophobicContact CB-CE1 3.96Å; Y118-F120 HydrophobicContact CG-CZ 4.43Å
121Y86.8Confident80.1Confident19 Ų1951.6 Ų51.68%0.07527%0.266CS..EExtended strand (participates in β ladder)trans-139.4143.7-175.6-58.6-96.5000110.3V37 L68 K69 R70 V105 C106 E119V37-Y121 HydrophobicContact CG2-CD2 4.08Å; V37-Y121 HydrophobicContact CG2-CE2 4.27Å; V37-Y121 HydrophobicContact CG2-CG 4.43Å; L68-Y121 HydrophobicContact CD1-CD1 4.45Å; L68-Y121 HydrophobicContact CD1-CG 4.28Å; L68-Y121 HydrophobicContact CD2-CD1 3.62Å; L68-Y121 HydrophobicContact CD2-CE1 4.15Å; L68-Y121 HydrophobicContact CD2-CG 4.03Å; L68-Y121 HydrophobicContact CG-CD1 3.75Å; L68-Y121 HydrophobicContact CG-CG 4.08Å; K69-Y121 CarbonylContact O-C 3.59Å; K69-Y121 VanDerWaalsContact O-CA 3.27Å; K69-Y121 WeakPolarHBondContact O-CA 3.12Å; R70-Y121 HydrophobicContact CB-CD1 3.74Å; R70-Y121 HydrophobicContact CB-CE1 3.59Å; R70-Y121 HydrophobicContact CG-CD1 4.16Å; R70-Y121 HydrophobicContact CG-CE1 3.69Å; V105-Y121 CarbonylContact C-O 3.53Å; V105-Y121 WeakPolarHBondContact CA-O 3.37Å; C106-Y121 PolarHBondContact N-O 2.83Å; C106-Y121 PolarHBondContact O-N 3.42Å; E119-Y121 HydrophobicContact CB-CE2 3.59Å; E119-Y121 PolarHBondContact OE2-OH 2.98Å
122L89.6Confident81.3Confident0 Ų048.9 Ų48.90%024%0.244CC..EExtended strand (participates in β ladder)trans-102.2128170.7-54.7-174.7000109.2L68 K69 L71 E87 I88 L102 V105 F124L68-L122 WeakPolarHBondContact CA-O 3.42Å; K69-L122 HydrophobicContact CB-CB 4.35Å; K69-L122 PolarHBondContact N-O 3.37Å; K69-L122 PolarHBondContact O-N 3.47Å; L71-L122 HydrophobicContact CD1-CD2 4.01Å; L71-L122 HydrophobicContact CD1-CG 4.14Å; L71-L122 HydrophobicContact CD2-CD1 3.96Å; L71-L122 HydrophobicContact CD2-CG 3.95Å; L71-L122 HydrophobicContact CG-CG 4.18Å; E87-L122 HydrophobicContact CG-CD1 4.14Å; I88-L122 HydrophobicContact CD1-CD2 3.89Å; I88-L122 HydrophobicContact CG1-CD2 3.5Å; L102-L122 HydrophobicContact CD1-CB 3.89Å; L102-L122 HydrophobicContact CD1-CD2 4.13Å; L102-L122 HydrophobicContact CD1-CG 4.45Å; V105-L122 HydrophobicContact CG2-CD2 3.84Å; L122-F124 HydrophobicContact CB-CD2 4.24Å; L122-F124 HydrophobicContact CB-CE2 3.38Å; L122-F124 HydrophobicContact CB-CZ 3.74Å; L122-F124 HydrophobicContact CD1-CE2 4.24Å; L122-F124 HydrophobicContact CD1-CZ 3.97Å; L122-F124 HydrophobicContact CG-CE2 4.46Å
123L93Very high82.7Confident1 Ų144.7 Ų44.71%0.00522%0.217CC..EExtended strand (participates in β ladder)trans-98.5128.2178.3-170.475.5000110.2L35 Y40 V57 Y66 L68 R103 G104L35-L123 HydrophobicContact CD1-CD2 3.6Å; Y40-L123 HydrophobicContact CD1-CD1 4.09Å; Y40-L123 HydrophobicContact CE1-CD1 3.88Å; Y40-L123 HydrophobicContact CE1-CD2 3.72Å; Y40-L123 HydrophobicContact CE1-CG 4.47Å; Y40-L123 HydrophobicContact CE2-CD2 4.21Å; Y40-L123 VanDerWaalsContact CZ-CD2 3.45Å; Y40-L123 VanDerWaalsContact OH-CD2 3.23Å; Y40-L123 WeakPolarHBondContact OH-CD2 3.42Å; V57-L123 HydrophobicContact CG2-CD1 4.14Å; Y66-L123 HydrophobicContact CD1-CD2 4.46Å; Y66-L123 HydrophobicContact CD1-CG 4.4Å; Y66-L123 HydrophobicContact CG-CD1 4.08Å; Y66-L123 HydrophobicContact CG-CG 4.37Å; L68-L123 HydrophobicContact CD1-CB 4.38Å; L68-L123 HydrophobicContact CD1-CD1 3.81Å; R103-L123 HydrophobicContact CB-CB 4.33Å; R103-L123 HydrophobicContact CB-CD2 4.02Å; R103-L123 HydrophobicContact CB-CG 4.2Å; R103-L123 WeakPolarHBondContact CB-O 3.42Å; R103-L123 PolarHBondContact N-O 3.09Å; G104-L123 PolarHBondContact O-N 3.49Å
124F95.2Very high84Confident20 Ų2039.3 Ų39.39%0.08818%0.179CC..EExtended strand (participates in β ladder)trans-129160179.6-60.4-81.8000110.9Y66 A67 K69 L91 V100 R101 L102 L122Y66-F124 WeakPolarHBondContact CA-O 3.24Å; Y66-F124 WeakPolarHBondContact CB-O 3.31Å; A67-F124 HydrophobicContact CB-CB 4.33Å; A67-F124 PolarHBondContact N-O 3.39Å; A67-F124 PolarHBondContact O-N 3.46Å; K69-F124 HydrophobicContact CB-CD2 4.47Å; K69-F124 HydrophobicContact CB-CE2 4.03Å; K69-F124 HydrophobicContact CD-CE2 4.36Å; L91-F124 HydrophobicContact CD1-CE1 3.8Å; L91-F124 HydrophobicContact CD1-CZ 3.81Å; V100-F124 HydrophobicContact CB-CD1 4.22Å; V100-F124 HydrophobicContact CG2-CD1 4.29Å; V100-F124 HydrophobicContact CG2-CE1 4.14Å; R101-F124 WeakPolarHBondContact O-CD1 3.28Å; L102-F124 HydrophobicContact CB-CE1 4.19Å; L102-F124 HydrophobicContact CD1-CE1 4.05Å; L102-F124 HydrophobicContact CD1-CZ 4.12Å; L122-F124 HydrophobicContact CB-CD2 4.24Å; L122-F124 HydrophobicContact CB-CE2 3.38Å; L122-F124 HydrophobicContact CB-CZ 3.74Å; L122-F124 HydrophobicContact CD1-CE2 4.24Å; L122-F124 HydrophobicContact CD1-CZ 3.97Å; L122-F124 HydrophobicContact CG-CE2 4.46Å
125D94.7Very high85.5Confident38 Ų3837.5 Ų37.520%0.20317%0.167CC..EExtended strand (participates in β ladder)trans-60.3144.5163.1-66.1-31.9000110.3R103R103-D125 IonicContact CZ-OD1 3.35Å; R103-D125 VanDerWaalsContact CZ-OD1 3.29Å; R103-D125 IonicContact CZ-OD2 3.29Å; R103-D125 VanDerWaalsContact NE-CG 3.31Å; R103-D125 IonicContact NE-OD1 2.68Å; R103-D125 PolarHBondContact NE-OD1 3.23Å; R103-D125 IonicContact NE-OD2 2.67Å; R103-D125 PolarHBondContact NE-OD2 2.98Å; R103-D125 VanDerWaalsContact NH2-CG 3.28Å; R103-D125 IonicContact NH2-OD1 3.17Å; R103-D125 PolarHBondContact NH2-OD1 3.17Å; R103-D125 IonicContact NH2-OD2 3.32Å; R103-D125 PolarHBondContact NH2-OD2 3.07Å
126I94.4Very high86.8Confident35 Ų3531.9 Ų31.918%0.17914%0.139CC..  trans-77.6142.1177.8-167.664.5000109.8I46 K56 H65 A67I46-I126 HydrophobicContact CD1-CD1 3.62Å; K56-I126 HydrophobicContact CB-CD1 4.44Å; K56-I126 HydrophobicContact CG-CD1 4.2Å; H65-I126 HydrophobicContact CB-CG2 4.05Å; A67-I126 HydrophobicContact CB-CD1 4Å
127C94.7Very high88.2Confident8 Ų830 Ų305%0.05414%0.135CC..  trans-120.1142.7167.4-61.50000109.4L176C127-L176 HydrophobicContact CB-CB 3.79Å; C127-L176 HydrophobicContact CB-CD1 4.31Å
128E91.6Very high89.2Confident27 Ų2731.4 Ų31.413%0.12615%0.145CC..SBendtrans-74.6-29.7-176.9-83.966.9-167.300112.8I177 R179 S354 F355E128-I177 PolarHBondContact N-O 2.85Å; E128-R179 VanDerWaalsContact CD-CB 3.49Å; E128-R179 HydrophobicContact CG-CB 4.22Å; E128-R179 IonicContact OE1-CZ 2.76Å; E128-R179 IonicContact OE1-NE 2.78Å; E128-R179 PolarHBondContact OE1-NE 3.07Å; E128-R179 IonicContact OE1-NH2 3.18Å; E128-R179 PolarHBondContact OE1-NH2 3.13Å; E128-R179 PolarHBondContact OE2-N 2.94Å; E128-S354 CarbonylContact O-C 3.46Å; E128-S354 VanDerWaalsContact O-CA 3.24Å; E128-S354 WeakPolarHBondContact O-CA 3.34Å; E128-S354 VanDerWaalsContact O-CB 3.28Å; E128-S354 WeakPolarHBondContact O-CB 3.35Å; E128-S354 PolarHBondContact O-OG 3.31Å; E128-F355 PolarHBondContact O-N 2.57Å; E128-F355 VanDerWaalsContact O-N 3.11Å
129H93.4Very high90.1Very high0 Ų027.3 Ų27.30%013%0.132CC..EExtended strand (participates in β ladder)trans-135.7154.9-171.2-46.6-73.5000111.6L134 L176 I177 S349 A353 F355H129-L134 HydrophobicContact CB-CD1 3.91Å; H129-L134 HydrophobicContact CB-CD2 4.3Å; H129-L134 HydrophobicContact CB-CG 4.03Å; H129-L176 CarbonylContact O-C 3.57Å; H129-L176 WeakPolarHBondContact O-CA 3.44Å; H129-I177 HydrophobicContact CB-CB 4.38Å; H129-I177 PolarHBondContact N-O 3.35Å; H129-I177 VanDerWaalsContact N-O 3.08Å; H129-I177 PolarHBondContact O-N 3.42Å; H129-S349 PolarHBondContact CD2-OG 3.23Å; H129-S349 PolarHBondContact NE2-OG 2.98Å; H129-A353 PolarHBondContact CE1-O 3.26Å; H129-F355 AromaticContact CE1-CD2 3.48Å; H129-F355 VanDerWaalsContact CE1-CD2 3.48Å; H129-F355 WeakPolarHBondContact CE1-CD2 2.96Å; H129-F355 WeakPolarHBondContact ND1-CB 3.32Å; H129-F355 AromaticContact ND1-CD2 3.39Å; H129-F355 WeakPolarHBondContact ND1-CD2 3.2Å; H129-F355 AromaticContact ND1-CG 3.81Å; H129-F355 PolarHBondContact ND1-N 2.82Å; H129-F355 VanDerWaalsContact ND1-N 3.13Å
130D94.5Very high90.7Very high12 Ų1234 Ų346%0.06416%0.163CC..EExtended strand (participates in β ladder)trans-121.9151.7157.465.269.1000108.1A132 G133 L134 I175 L176 F355 L356 E357D130-A132 PolarHBondContact O-N 2.96Å; D130-A132 WeakPolarHBondContact OD1-CB 3.39Å; D130-A132 PolarHBondContact OD1-N 2.93Å; D130-G133 PolarHBondContact O-N 3.2Å; D130-G133 VanDerWaalsContact O-N 3.13Å; D130-G133 PolarHBondContact OD1-N 3.05Å; D130-L134 PolarHBondContact O-N 3.14Å; D130-L134 VanDerWaalsContact O-N 3.09Å; D130-I175 CarbonylContact C-O 3.58Å; D130-I175 VanDerWaalsContact CA-O 3.32Å; D130-I175 WeakPolarHBondContact CA-O 3.43Å; D130-L176 HydrophobicContact CB-CD2 3.69Å; D130-F355 PolarHBondContact N-O 3.32Å; D130-L356 HydrophobicContact CB-CD2 4.26Å; D130-L356 WeakPolarHBondContact OD2-CA 3.36Å; D130-L356 WeakPolarHBondContact OD2-CD2 3.28Å; D130-E357 PolarHBondContact OD1-N 2.87Å; D130-E357 PolarHBondContact OD2-N 3.04Å
131L94.9Very high91.4Very high0 Ų032.4 Ų32.40%016%0.156CC..Hα-helixtrans-64-33.8-172.6-17459.4000111.4G133 L134 L135 F141 I149 T172 I175 I239 L243L131-G133 VanDerWaalsContact C-N 3.34Å; L131-G133 PolarHBondContact O-N 3.17Å; L131-L134 PolarHBondContact O-N 3.32Å; L131-L135 HydrophobicContact CD1-CD1 4.37Å; L131-L135 HydrophobicContact CD1-CG 4.41Å; L131-L135 HydrophobicContact CG-CD1 3.92Å; L131-L135 HydrophobicContact CG-CG 4.45Å; L131-L135 WeakPolarHBondContact O-CB 3.48Å; L131-L135 WeakPolarHBondContact O-CD1 3.31Å; L131-L135 VanDerWaalsContact O-CG 3.22Å; L131-L135 WeakPolarHBondContact O-CG 3.18Å; L131-L135 PolarHBondContact O-N 2.79Å; L131-F141 HydrophobicContact CD1-CE2 4.11Å; L131-F141 HydrophobicContact CD1-CZ 3.85Å; L131-I149 HydrophobicContact CD1-CD1 4.19Å; L131-I149 HydrophobicContact CD2-CG2 4.25Å; L131-T172 WeakPolarHBondContact CB-O 3.17Å; L131-T172 HydrophobicContact CD2-CG2 4.03Å; L131-T172 HydrophobicContact CG-CG2 4.15Å; L131-T172 PolarHBondContact N-O 3.44Å; L131-I175 HydrophobicContact CB-CB 4.02Å; L131-I175 HydrophobicContact CB-CG2 4.28Å; L131-I175 HydrophobicContact CD2-CB 4.42Å; L131-I175 HydrophobicContact CD2-CG2 4.35Å; L131-I175 PolarHBondContact N-O 3.32Å; L131-I239 HydrophobicContact CD2-CG2 3.62Å; L131-L243 HydrophobicContact CD1-CD2 3.86Å; L131-L243 HydrophobicContact CD2-CD2 3.99Å; L131-L243 HydrophobicContact CG-CD2 4.41Å
132A92.2Very high91.8Very high0 Ų034.5 Ų34.50%017%0.174CC..Hα-helixtrans-61.9-41.9174.800000111.9D130 L135 A136 T172 E357D130-A132 PolarHBondContact O-N 2.96Å; D130-A132 WeakPolarHBondContact OD1-CB 3.39Å; D130-A132 PolarHBondContact OD1-N 2.93Å; A132-L135 PolarHBondContact O-N 3.22Å; A132-A136 WeakPolarHBondContact O-CB 3.37Å; A132-A136 PolarHBondContact O-N 3.46Å; A132-T172 WeakPolarHBondContact CB-OG1 3.41Å; A132-T172 PolarHBondContact N-O 3.12Å; A132-E357 HydrophobicContact CB-CB 4.08Å; A132-E357 HydrophobicContact CB-CG 4.18Å
133G91Very high92.2Very high2 Ų236.6 Ų36.62%0.02119%0.185CC..Hα-helixtrans-64.1-43.317700000112.5D130 L131 Q137D130-G133 PolarHBondContact O-N 3.2Å; D130-G133 VanDerWaalsContact O-N 3.13Å; D130-G133 PolarHBondContact OD1-N 3.05Å; L131-G133 VanDerWaalsContact C-N 3.34Å; L131-G133 PolarHBondContact O-N 3.17Å; G133-Q137 VanDerWaalsContact O-CG 3.26Å; G133-Q137 WeakPolarHBondContact O-CG 3.44Å; G133-Q137 PolarHBondContact O-N 3.03Å; G133-Q137 VanDerWaalsContact O-N 3.14Å
134L92.6Very high92.4Very high0 Ų038.2 Ų38.20%020%0.195CC..Hα-helixtrans-62.7-47.4175.5-69.3165.7000111.9H129 D130 L131 Q137 K138 V139 F141 I177 L348 F355H129-L134 HydrophobicContact CB-CD1 3.91Å; H129-L134 HydrophobicContact CB-CD2 4.3Å; H129-L134 HydrophobicContact CB-CG 4.03Å; D130-L134 PolarHBondContact O-N 3.14Å; D130-L134 VanDerWaalsContact O-N 3.09Å; L131-L134 PolarHBondContact O-N 3.32Å; L134-Q137 PolarHBondContact O-N 3.15Å; L134-K138 PolarHBondContact O-N 2.88Å; L134-V139 HydrophobicContact CD2-CB 4.4Å; L134-V139 HydrophobicContact CD2-CG1 4.48Å; L134-V139 HydrophobicContact CD2-CG2 4.02Å; L134-V139 PolarHBondContact O-N 3.36Å; L134-V139 VanDerWaalsContact O-N 3.15Å; L134-F141 HydrophobicContact CB-CE1 4.31Å; L134-F141 HydrophobicContact CB-CZ 3.69Å; L134-F141 HydrophobicContact CD1-CE1 4.2Å; L134-F141 HydrophobicContact CD1-CZ 4.12Å; L134-F141 HydrophobicContact CG-CZ 4.46Å; L134-I177 HydrophobicContact CD1-CD1 3.92Å; L134-L348 HydrophobicContact CD1-CD1 4.06Å; L134-F355 HydrophobicContact CD2-CB 3.77Å; L134-F355 HydrophobicContact CD2-CD2 3.52Å; L134-F355 HydrophobicContact CD2-CE2 4.45Å; L134-F355 HydrophobicContact CD2-CG 3.98Å; L134-F355 HydrophobicContact CG-CB 4.17Å
135L91.9Very high92.5Very high2 Ų237.7 Ų37.71%0.0119%0.194CC..Hα-helixtrans-64-42.8177.9-69.5163.6000111.7L131 A132 Q137 K138 F141 T172 E242 Y408L131-L135 HydrophobicContact CD1-CD1 4.37Å; L131-L135 HydrophobicContact CD1-CG 4.41Å; L131-L135 HydrophobicContact CG-CD1 3.92Å; L131-L135 HydrophobicContact CG-CG 4.45Å; L131-L135 WeakPolarHBondContact O-CB 3.48Å; L131-L135 WeakPolarHBondContact O-CD1 3.31Å; L131-L135 VanDerWaalsContact O-CG 3.22Å; L131-L135 WeakPolarHBondContact O-CG 3.18Å; L131-L135 PolarHBondContact O-N 2.79Å; A132-L135 PolarHBondContact O-N 3.22Å; L135-Q137 PolarHBondContact O-N 3.24Å; L135-K138 WeakPolarHBondContact O-CA 3.42Å; L135-K138 PolarHBondContact O-N 2.96Å; L135-F141 HydrophobicContact CD2-CE2 3.8Å; L135-F141 HydrophobicContact CG-CE2 4.27Å; L135-T172 HydrophobicContact CD1-CG2 3.71Å; L135-E242 HydrophobicContact CD1-CG 3.79Å; L135-E242 WeakPolarHBondContact CD1-OE1 3.32Å; L135-Y408 HydrophobicContact CB-CE2 4.08Å
136A88.3Confident92.6Very high15 Ų1537.1 Ų37.112%0.12419%0.189CC..Hα-helixtrans-64.6-25.5178.100000113.4A132 K138 Y408A132-A136 WeakPolarHBondContact O-CB 3.37Å; A132-A136 PolarHBondContact O-N 3.46Å; A136-K138 VanDerWaalsContact C-N 3.32Å; A136-Y408 HydrophobicContact CB-CD1 3.73Å; A136-Y408 HydrophobicContact CB-CE1 4.03Å; A136-Y408 HydrophobicContact CB-CG 4.46Å
137Q85.8Confident92.8Very high95 Ų9535.4 Ų35.444%0.44418%0.181SC..THydrogen-bonded Turntrans-88.81.1173.1-65.1-65.5-20.400112.9G133 L134 L135 V139 F355G133-Q137 VanDerWaalsContact O-CG 3.26Å; G133-Q137 WeakPolarHBondContact O-CG 3.44Å; G133-Q137 PolarHBondContact O-N 3.03Å; G133-Q137 VanDerWaalsContact O-N 3.14Å; L134-Q137 PolarHBondContact O-N 3.15Å; L135-Q137 PolarHBondContact O-N 3.24Å; Q137-V139 HydrophobicContact CB-CG2 4.22Å; Q137-V139 PolarHBondContact O-N 2.92Å; Q137-F355 HydrophobicContact CB-CD1 4.31Å; Q137-F355 HydrophobicContact CG-CD1 3.82Å; Q137-F355 HydrophobicContact CG-CE1 4.31Å
138K85.5Confident93Very high170 Ų17035.4 Ų35.474%0.73918%0.18SC*.THydrogen-bonded Turntrans55.639.4-178-54-177175.7-171.10112.4L134 L135 A136 E140L134-K138 PolarHBondContact O-N 2.88Å; L135-K138 WeakPolarHBondContact O-CA 3.42Å; L135-K138 PolarHBondContact O-N 2.96Å; A136-K138 VanDerWaalsContact C-N 3.32Å; K138-E140 PolarHBondContact O-N 3.1Å
139V87.7Confident93.3Very high35 Ų3534.1 Ų34.121%0.21217%0.174CC..PPolyproline II helixtrans-63.9120.9171.4176.80000108.1L134 Q137 F141 L348 F355L134-V139 HydrophobicContact CD2-CB 4.4Å; L134-V139 HydrophobicContact CD2-CG1 4.48Å; L134-V139 HydrophobicContact CD2-CG2 4.02Å; L134-V139 PolarHBondContact O-N 3.36Å; L134-V139 VanDerWaalsContact O-N 3.15Å; Q137-V139 HydrophobicContact CB-CG2 4.22Å; Q137-V139 PolarHBondContact O-N 2.92Å; V139-F141 HydrophobicContact CG1-CD1 4.44Å; V139-F141 HydrophobicContact CG1-CE1 4.17Å; V139-F141 PolarHBondContact O-N 3.15Å; V139-L348 HydrophobicContact CG1-CD2 4.1Å; V139-F355 HydrophobicContact CG2-CD2 4.47Å; V139-F355 HydrophobicContact CG2-CE2 4.37Å
140E87.7Confident93.6Very high188 Ų18834.1 Ų34.188%0.87917%0.174SC*.PPolyproline II helixtrans-75.8118.4177.6-67.4-171.4168.700110.5K138K138-E140 PolarHBondContact O-N 3.1Å
141F93.4Very high93.8Very high13 Ų1336.7 Ų36.76%0.05719%0.186CC..PPolyproline II helixtrans-89.3127.9173.9-57.1-59.4000110.8L131 L134 L135 V139 V145 K146 I149 L243 L348L131-F141 HydrophobicContact CD1-CE2 4.11Å; L131-F141 HydrophobicContact CD1-CZ 3.85Å; L134-F141 HydrophobicContact CB-CE1 4.31Å; L134-F141 HydrophobicContact CB-CZ 3.69Å; L134-F141 HydrophobicContact CD1-CE1 4.2Å; L134-F141 HydrophobicContact CD1-CZ 4.12Å; L134-F141 HydrophobicContact CG-CZ 4.46Å; L135-F141 HydrophobicContact CD2-CE2 3.8Å; L135-F141 HydrophobicContact CG-CE2 4.27Å; V139-F141 HydrophobicContact CG1-CD1 4.44Å; V139-F141 HydrophobicContact CG1-CE1 4.17Å; V139-F141 PolarHBondContact O-N 3.15Å; F141-V145 HydrophobicContact CB-CB 4.45Å; F141-V145 HydrophobicContact CB-CG1 4.03Å; F141-V145 HydrophobicContact CD1-CG1 3.6Å; F141-V145 HydrophobicContact CE1-CG1 4.45Å; F141-V145 HydrophobicContact CG-CG1 4.18Å; F141-K146 HydrophobicContact CB-CD 4.46Å; F141-K146 HydrophobicContact CB-CG 3.66Å; F141-K146 PolarHBondContact O-NZ 3.37Å; F141-I149 HydrophobicContact CD1-CD1 4.27Å; F141-I149 HydrophobicContact CE1-CD1 4.19Å; F141-I149 HydrophobicContact CZ-CD1 4.39Å; F141-L243 HydrophobicContact CD2-CD2 4.31Å; F141-L243 HydrophobicContact CE2-CD2 4.21Å; F141-L348 HydrophobicContact CD1-CD2 3.92Å; F141-L348 HydrophobicContact CE1-CD1 4.2Å; F141-L348 HydrophobicContact CE1-CD2 3.74Å
142S95.8Very high94Very high63 Ų6338 Ų3844%0.44119%0.192SC..PPolyproline II helixtrans-67.7160.9166.1700000110.8V145 K146S142-V145 WeakPolarHBondContact O-CB 3.14Å; S142-V145 PolarHBondContact O-N 3.29Å; S142-V145 VanDerWaalsContact O-N 3.14Å; S142-V145 VanDerWaalsContact OG-CG2 3.31Å; S142-V145 WeakPolarHBondContact OG-CG2 3.46Å; S142-V145 PolarHBondContact OG-N 2.85Å; S142-K146 WeakPolarHBondContact O-CG 3.4Å; S142-K146 PolarHBondContact O-N 3.27Å
143L96.9Very high94.3Very high45 Ų4538 Ų3824%0.23619%0.192CC..Hα-helixtrans-57.4-43.6177179.261000113V145 K146 K147 W244 C306 F335 P340L143-V145 VanDerWaalsContact C-N 3.3Å; L143-V145 PolarHBondContact O-N 2.91Å; L143-K146 PolarHBondContact O-N 3.25Å; L143-K147 HydrophobicContact CD1-CG 4.44Å; L143-K147 PolarHBondContact O-N 3.49Å; L143-W244 HydrophobicContact CD1-CZ2 3.99Å; L143-C306 HydrophobicContact CD1-CB 4.26Å; L143-C306 HydrophobicContact CD2-CB 4.29Å; L143-F335 HydrophobicContact CD1-CE2 3.99Å; L143-F335 HydrophobicContact CD1-CZ 4.47Å; L143-P340 HydrophobicContact CB-CG 4.46Å; L143-P340 HydrophobicContact CD2-CG 4.1Å; L143-P340 HydrophobicContact CG-CG 4.25Å
144P97.8Very high94.7Very high35 Ų3537.9 Ų37.923%0.22719%0.191CC..Hα-helixtrans-55.8-41.4172.2-28.135.6000113.8K147 S148 P340 P341 G343P144-K147 PolarHBondContact O-N 2.88Å; P144-S148 WeakPolarHBondContact O-CB 3.21Å; P144-S148 PolarHBondContact O-N 2.81Å; P144-P340 HydrophobicContact CG-CB 3.96Å; P144-P340 HydrophobicContact CG-CG 3.73Å; P144-P341 WeakPolarHBondContact CB-O 3.46Å; P144-G343 PolarHBondContact O-N 2.82Å
145V97.3Very high95Very high8 Ų839.7 Ų39.75%0.04820%0.203CC..Hα-helixtrans-65.7-44.1178168.90000110.7F141 S142 L143 K147 S148 I149 L345 L348F141-V145 HydrophobicContact CB-CB 4.45Å; F141-V145 HydrophobicContact CB-CG1 4.03Å; F141-V145 HydrophobicContact CD1-CG1 3.6Å; F141-V145 HydrophobicContact CE1-CG1 4.45Å; F141-V145 HydrophobicContact CG-CG1 4.18Å; S142-V145 WeakPolarHBondContact O-CB 3.14Å; S142-V145 PolarHBondContact O-N 3.29Å; S142-V145 VanDerWaalsContact O-N 3.14Å; S142-V145 VanDerWaalsContact OG-CG2 3.31Å; S142-V145 WeakPolarHBondContact OG-CG2 3.46Å; S142-V145 PolarHBondContact OG-N 2.85Å; L143-V145 VanDerWaalsContact C-N 3.3Å; L143-V145 PolarHBondContact O-N 2.91Å; V145-K147 PolarHBondContact O-N 3Å; V145-S148 PolarHBondContact O-N 3.13Å; V145-I149 HydrophobicContact CG1-CD1 4.06Å; V145-I149 WeakPolarHBondContact O-CG1 3.44Å; V145-I149 PolarHBondContact O-N 3Å; V145-L345 HydrophobicContact CB-CD2 4.25Å; V145-L345 HydrophobicContact CG1-CD2 3.68Å; V145-L345 WeakPolarHBondContact O-CD2 3.49Å; V145-L348 HydrophobicContact CG1-CD1 4.48Å; V145-L348 HydrophobicContact CG1-CD2 4.38Å
146K97.9Very high95.3Very high26 Ų2639.6 Ų39.611%0.11320%0.202CC..Hα-helixtrans-61-42.8175-66-173.617589.80112.3F141 S142 L143 I149 M150 L243 W244F141-K146 HydrophobicContact CB-CD 4.46Å; F141-K146 HydrophobicContact CB-CG 3.66Å; F141-K146 PolarHBondContact O-NZ 3.37Å; S142-K146 WeakPolarHBondContact O-CG 3.4Å; S142-K146 PolarHBondContact O-N 3.27Å; L143-K146 PolarHBondContact O-N 3.25Å; K146-I149 PolarHBondContact O-N 3.17Å; K146-M150 PolarHBondContact O-N 3.41Å; K146-M150 VanDerWaalsContact O-N 3.08Å; K146-L243 HydrophobicContact CB-CD1 4.2Å; K146-L243 HydrophobicContact CD-CB 4.1Å; K146-L243 WeakPolarHBondContact CE-O 3.24Å; K146-L243 HydrophobicContact CG-CB 4.22Å; K146-L243 HydrophobicContact CG-CD1 4.43Å; K146-W244 HydrophobicContact CB-CH2 4.15Å; K146-W244 HydrophobicContact CB-CZ2 4.32Å; K146-W244 HydrophobicContact CD-CD2 3.72Å; K146-W244 VanDerWaalsContact CD-CE2 3.4Å; K146-W244 HydrophobicContact CD-CE3 4.08Å; K146-W244 HydrophobicContact CD-CG 4.33Å; K146-W244 HydrophobicContact CD-CH2 3.9Å; K146-W244 HydrophobicContact CD-CZ2 3.52Å; K146-W244 HydrophobicContact CD-CZ3 4.15Å
147K98.5Very high95.8Very high0 Ų038.9 Ų38.90%020%0.196CC..Hα-helixtrans-58.5-46.7173.8-77.6-176.1-178.3-159.10111.6L143 P144 V145 M150 Q151 F335 F336 E338 P340 P342L143-K147 HydrophobicContact CD1-CG 4.44Å; L143-K147 PolarHBondContact O-N 3.49Å; P144-K147 PolarHBondContact O-N 2.88Å; V145-K147 PolarHBondContact O-N 3Å; K147-M150 PolarHBondContact O-N 3.32Å; K147-Q151 VanDerWaalsContact O-CB 3.31Å; K147-Q151 WeakPolarHBondContact O-CB 3.32Å; K147-Q151 PolarHBondContact O-N 3.37Å; K147-F335 HydrophobicContact CB-CE1 4.31Å; K147-F335 HydrophobicContact CB-CZ 4.22Å; K147-F335 HydrophobicContact CD-CE2 4.41Å; K147-F335 HydrophobicContact CD-CZ 4.45Å; K147-F335 WeakPolarHBondContact CD-O 3.45Å; K147-F335 WeakPolarHBondContact CE-O 3.27Å; K147-F335 HydrophobicContact CG-CD1 4.35Å; K147-F335 HydrophobicContact CG-CD2 4.36Å; K147-F335 HydrophobicContact CG-CE1 3.7Å; K147-F335 HydrophobicContact CG-CE2 3.68Å; K147-F335 HydrophobicContact CG-CZ 3.32Å; K147-F335 PolarHBondContact NZ-O 3.44Å; K147-F336 WeakPolarHBondContact O-CE1 3.32Å; K147-E338 PolarHBondContact NZ-O 3.41Å; K147-E338 IonicContact NZ-OE1 3.06Å; K147-P340 WeakPolarHBondContact CD-O 3.31Å; K147-P340 VanDerWaalsContact CE-O 3.29Å; K147-P340 WeakPolarHBondContact CE-O 3.3Å; K147-P340 PolarHBondContact NZ-O 3.45Å; K147-P342 HydrophobicContact CB-CB 4.18Å; K147-P342 HydrophobicContact CB-CG 4.14Å
148S98.4Very high96.4Very high7 Ų738.4 Ų38.45%0.04919%0.191CC..Hα-helixtrans-67.1-40.5-178.9-173.60000112.6P144 V145 M150 Q151 Q152 G343 L345P144-S148 WeakPolarHBondContact O-CB 3.21Å; P144-S148 PolarHBondContact O-N 2.81Å; V145-S148 PolarHBondContact O-N 3.13Å; S148-M150 VanDerWaalsContact C-N 3.33Å; S148-M150 PolarHBondContact O-N 2.96Å; S148-Q151 PolarHBondContact O-N 3.16Å; S148-Q152 WeakPolarHBondContact O-CB 3.47Å; S148-Q152 WeakPolarHBondContact O-CG 3.36Å; S148-Q152 PolarHBondContact O-N 2.95Å; S148-Q152 PolarHBondContact OG-NE2 3.16Å; S148-G343 WeakPolarHBondContact CB-O 3.24Å; S148-G343 PolarHBondContact OG-O 2.87Å; S148-L345 WeakPolarHBondContact OG-CG 3.47Å
149I98.6Very high97Very high0 Ų031.9 Ų31.90%016%0.163CC..Hα-helixtrans-55.8-51.3172.3-71.2166.4000109.8L131 F141 V145 K146 L153 I177 L183 L243 L345L131-I149 HydrophobicContact CD1-CD1 4.19Å; L131-I149 HydrophobicContact CD2-CG2 4.25Å; F141-I149 HydrophobicContact CD1-CD1 4.27Å; F141-I149 HydrophobicContact CE1-CD1 4.19Å; F141-I149 HydrophobicContact CZ-CD1 4.39Å; V145-I149 HydrophobicContact CG1-CD1 4.06Å; V145-I149 WeakPolarHBondContact O-CG1 3.44Å; V145-I149 PolarHBondContact O-N 3Å; K146-I149 PolarHBondContact O-N 3.17Å; I149-L153 VanDerWaalsContact O-CB 3.3Å; I149-L153 WeakPolarHBondContact O-CB 3.1Å; I149-L153 PolarHBondContact O-N 3.42Å; I149-I177 HydrophobicContact CG1-CD1 4.42Å; I149-L183 HydrophobicContact CB-CD1 4.37Å; I149-L183 HydrophobicContact CG2-CD1 3.85Å; I149-L183 WeakPolarHBondContact O-CD1 3.45Å; I149-L243 HydrophobicContact CB-CD1 4.42Å; I149-L243 HydrophobicContact CD1-CD2 4.09Å; I149-L243 HydrophobicContact CG2-CD1 4.1Å; I149-L243 HydrophobicContact CG2-CD2 4.24Å; I149-L345 HydrophobicContact CG1-CD1 3.98Å; I149-L345 HydrophobicContact CG1-CD2 3.82Å
150M98.7Very high97.5Very high0 Ų030.2 Ų30.20%015%0.152CC..Hα-helixtrans-69.1-38.2-176.9-72.3-52.9-51.900113.2K146 K147 S148 L153 L154 M240 L243 F335 F336K146-M150 PolarHBondContact O-N 3.41Å; K146-M150 VanDerWaalsContact O-N 3.08Å; K147-M150 PolarHBondContact O-N 3.32Å; S148-M150 VanDerWaalsContact C-N 3.33Å; S148-M150 PolarHBondContact O-N 2.96Å; M150-L153 HydrophobicContact CE-CD2 4.17Å; M150-L153 PolarHBondContact O-N 2.98Å; M150-L153 HydrophobicContact SD-CD2 4.26Å; M150-L154 HydrophobicContact CE-CD1 4.41Å; M150-L154 HydrophobicContact CE-CG 4.39Å; M150-L154 WeakPolarHBondContact O-CB 3.11Å; M150-L154 VanDerWaalsContact O-CG 3.29Å; M150-L154 WeakPolarHBondContact O-CG 3.46Å; M150-L154 PolarHBondContact O-N 3.07Å; M150-M240 HydrophobicContact CE-CB 3.62Å; M150-M240 HydrophobicContact CE-CG 3.96Å; M150-M240 HydrophobicContact CE-SD 4.01Å; M150-M240 HydrophobicContact CG-CB 4.3Å; M150-M240 HydrophobicContact CG-CG 3.82Å; M150-M240 HydrophobicContact CG-SD 4.18Å; M150-M240 HydrophobicContact SD-CB 3.54Å; M150-M240 VanDerWaalsContact SD-CB 3.54Å; M150-M240 HydrophobicContact SD-CG 3.76Å; M150-M240 HydrophobicContact SD-SD 4.45Å; M150-L243 HydrophobicContact CG-CD1 3.74Å; M150-L243 HydrophobicContact SD-CD1 3.93Å; M150-F335 HydrophobicContact CB-CE1 4.33Å; M150-F336 HydrophobicContact CB-CE1 3.88Å; M150-F336 HydrophobicContact CB-CZ 3.83Å
151Q98.7Very high97.9Very high67 Ų6721.7 Ų21.731%0.31311%0.112SC..Hα-helixtrans-62.6-51.9177.5-172.217748.400110.2K147 S148 L153 L154 T155 L331 F336K147-Q151 VanDerWaalsContact O-CB 3.31Å; K147-Q151 WeakPolarHBondContact O-CB 3.32Å; K147-Q151 PolarHBondContact O-N 3.37Å; S148-Q151 PolarHBondContact O-N 3.16Å; Q151-L153 VanDerWaalsContact C-N 3.35Å; Q151-L153 PolarHBondContact O-N 3.38Å; Q151-L154 PolarHBondContact O-N 3.48Å; Q151-T155 WeakPolarHBondContact O-CB 3.3Å; Q151-T155 PolarHBondContact O-N 3.27Å; Q151-T155 PolarHBondContact O-OG1 2.78Å; Q151-L331 HydrophobicContact CG-CD2 4.14Å; Q151-F336 HydrophobicContact CB-CD1 3.88Å; Q151-F336 HydrophobicContact CB-CE1 3.75Å; Q151-F336 HydrophobicContact CG-CD1 4.37Å
152Q98.8Very high98Very high26 Ų2627.6 Ų27.612%0.12114%0.138CC..Hα-helixtrans-63.2-38.7179.2-69.9-170.75400112.6N98 S148 G156 G181 L183 L345N98-Q152 WeakPolarHBondContact CB-O 3.35Å; N98-Q152 VanDerWaalsContact CG-O 3.31Å; N98-Q152 WeakPolarHBondContact ND2-CB 3.38Å; N98-Q152 PolarHBondContact ND2-OE1 3.41Å; N98-Q152 VanDerWaalsContact ND2-OE1 3.11Å; N98-Q152 PolarHBondContact OD1-O 3.28Å; S148-Q152 WeakPolarHBondContact O-CB 3.47Å; S148-Q152 WeakPolarHBondContact O-CG 3.36Å; S148-Q152 PolarHBondContact O-N 2.95Å; S148-Q152 PolarHBondContact OG-NE2 3.16Å; Q152-G156 PolarHBondContact O-N 2.94Å; Q152-G181 PolarHBondContact NE2-O 3.42Å; Q152-G181 VanDerWaalsContact NE2-O 3.1Å; Q152-L183 HydrophobicContact CB-CB 3.83Å; Q152-L183 HydrophobicContact CB-CD1 4.43Å; Q152-L183 HydrophobicContact CB-CD2 4.38Å; Q152-L183 HydrophobicContact CB-CG 4.46Å; Q152-L345 VanDerWaalsContact NE2-CD1 3.33Å
153L98.9Very high97.9Very high0 Ų028 Ų280%014%0.135CC..Hα-helixtrans-60.4-50.3173.9174.157.8000111.4I149 M150 Q151 G156 L157 L170 I175 L183 I185 A236 I239I149-L153 VanDerWaalsContact O-CB 3.3Å; I149-L153 WeakPolarHBondContact O-CB 3.1Å; I149-L153 PolarHBondContact O-N 3.42Å; M150-L153 HydrophobicContact CE-CD2 4.17Å; M150-L153 PolarHBondContact O-N 2.98Å; M150-L153 HydrophobicContact SD-CD2 4.26Å; Q151-L153 VanDerWaalsContact C-N 3.35Å; Q151-L153 PolarHBondContact O-N 3.38Å; L153-G156 PolarHBondContact O-N 2.71Å; L153-L157 HydrophobicContact CD1-CD1 4.31Å; L153-L157 HydrophobicContact CD1-CG 4.34Å; L153-L157 HydrophobicContact CG-CD1 4.39Å; L153-L157 WeakPolarHBondContact O-CG 3.44Å; L153-L157 PolarHBondContact O-N 3.44Å; L153-L170 HydrophobicContact CD1-CD2 4.36Å; L153-I175 HydrophobicContact CD1-CD1 3.65Å; L153-L183 HydrophobicContact CB-CD1 4.32Å; L153-L183 HydrophobicContact CB-CD2 4.26Å; L153-I185 HydrophobicContact CD1-CD1 4Å; L153-I185 HydrophobicContact CD1-CG1 3.9Å; L153-A236 HydrophobicContact CD2-CB 4.14Å; L153-I239 HydrophobicContact CD2-CB 4.49Å; L153-I239 HydrophobicContact CD2-CD1 4.29Å; L153-I239 HydrophobicContact CD2-CG2 4.11Å
154L98.9Very high97.6Very high0 Ų027 Ų270%013%0.13CC..Hα-helixtrans-68.4-35-178.8-69.7168.9000112.1M150 Q151 L157 Y158 A236 A330 L331 F336M150-L154 HydrophobicContact CE-CD1 4.41Å; M150-L154 HydrophobicContact CE-CG 4.39Å; M150-L154 WeakPolarHBondContact O-CB 3.11Å; M150-L154 VanDerWaalsContact O-CG 3.29Å; M150-L154 WeakPolarHBondContact O-CG 3.46Å; M150-L154 PolarHBondContact O-N 3.07Å; Q151-L154 PolarHBondContact O-N 3.48Å; L154-L157 PolarHBondContact O-N 3.03Å; L154-Y158 WeakPolarHBondContact O-CB 3.37Å; L154-Y158 PolarHBondContact O-N 2.91Å; L154-A236 HydrophobicContact CD2-CB 4.4Å; L154-A330 HydrophobicContact CD1-CB 3.77Å; L154-A330 HydrophobicContact CD2-CB 3.98Å; L154-A330 HydrophobicContact CG-CB 4.48Å; L154-L331 HydrophobicContact CB-CD1 4.46Å; L154-L331 HydrophobicContact CB-CD2 3.71Å; L154-L331 HydrophobicContact CB-CG 3.8Å; L154-F336 HydrophobicContact CD1-CE2 3.71Å; L154-F336 HydrophobicContact CD1-CZ 3.68Å
155T98.8Very high97.4Very high39 Ų3925.3 Ų25.324%0.23912%0.119CC..Hα-helixtrans-61.3-44.9171.6-58.10000111Q151 L157 Y158 F159Q151-T155 WeakPolarHBondContact O-CB 3.3Å; Q151-T155 PolarHBondContact O-N 3.27Å; Q151-T155 PolarHBondContact O-OG1 2.78Å; T155-L157 PolarHBondContact O-N 2.81Å; T155-Y158 PolarHBondContact O-N 2.97Å; T155-F159 PolarHBondContact O-N 3.15Å
156G98.7Very high97.3Very high0 Ų025 Ų250%012%0.117CC..Hα-helixtrans-59.3-44.6172.900000112.7Q152 L153 F159 L160Q152-G156 PolarHBondContact O-N 2.94Å; L153-G156 PolarHBondContact O-N 2.71Å; G156-F159 WeakPolarHBondContact O-CB 3.42Å; G156-F159 PolarHBondContact O-N 3.4Å; G156-L160 WeakPolarHBondContact O-CG 3.39Å; G156-L160 PolarHBondContact O-N 3.02Å
157L98.7Very high97.2Very high0 Ų023.7 Ų23.70%011%0.112CC..Hα-helixtrans-66.3-40.1177.3-68.4178.1000113L153 L154 T155 F159 L160 H161 L170 I185 D232 I233 A236 A327L153-L157 HydrophobicContact CD1-CD1 4.31Å; L153-L157 HydrophobicContact CD1-CG 4.34Å; L153-L157 HydrophobicContact CG-CD1 4.39Å; L153-L157 WeakPolarHBondContact O-CG 3.44Å; L153-L157 PolarHBondContact O-N 3.44Å; L154-L157 PolarHBondContact O-N 3.03Å; T155-L157 PolarHBondContact O-N 2.81Å; L157-F159 VanDerWaalsContact C-N 3.3Å; L157-F159 PolarHBondContact O-N 3.44Å; L157-L160 HydrophobicContact CD2-CD1 4.32Å; L157-L160 PolarHBondContact O-N 3.27Å; L157-H161 VanDerWaalsContact O-CB 3.28Å; L157-H161 WeakPolarHBondContact O-CB 3.45Å; L157-H161 PolarHBondContact O-N 3.11Å; L157-L170 HydrophobicContact CD1-CD1 3.85Å; L157-L170 HydrophobicContact CD2-CD1 3.76Å; L157-L170 HydrophobicContact CD2-CD2 4.38Å; L157-L170 HydrophobicContact CD2-CG 4.5Å; L157-L170 HydrophobicContact CG-CD1 4.42Å; L157-I185 HydrophobicContact CD2-CD1 3.78Å; L157-I185 HydrophobicContact CG-CD1 3.96Å; L157-D232 HydrophobicContact CD2-CB 4.14Å; L157-I233 HydrophobicContact CD1-CD1 4.44Å; L157-A236 HydrophobicContact CD1-CB 3.87Å; L157-A327 HydrophobicContact CB-CB 4.2Å
158Y98.4Very high97Very high85 Ų8524.1 Ų24.133%0.33311%0.113SC..Hα-helixtrans-56.2-48172.9172.2-97.5000110.8L154 T155 H161 K162 D328L154-Y158 WeakPolarHBondContact O-CB 3.37Å; L154-Y158 PolarHBondContact O-N 2.91Å; T155-Y158 PolarHBondContact O-N 2.97Å; Y158-H161 PolarHBondContact O-N 3.37Å; Y158-K162 HydrophobicContact CE1-CD 3.98Å; Y158-K162 WeakPolarHBondContact O-CB 3.46Å; Y158-K162 PolarHBondContact O-N 3.25Å; Y158-D328 HydrophobicContact CD2-CB 3.83Å; Y158-D328 HydrophobicContact CE2-CB 3.88Å
159F98.4Very high96.9Very high33 Ų3324 Ų2415%0.14511%0.112CC..Hα-helixtrans-59.5-48.7176.4172.2-95.9000112.3L94 S95 H96 V99 T155 G156 L157 H161 K162 N163L94-F159 HydrophobicContact CB-CE1 4.12Å; L94-F159 HydrophobicContact CD2-CD1 4.49Å; L94-F159 HydrophobicContact CD2-CE1 3.61Å; L94-F159 HydrophobicContact CD2-CZ 4.16Å; L94-F159 HydrophobicContact CG-CE1 4.41Å; S95-F159 WeakPolarHBondContact O-CZ 3.33Å; H96-F159 HydrophobicContact CB-CB 4.43Å; H96-F159 HydrophobicContact CB-CD1 3.46Å; H96-F159 VanDerWaalsContact CB-CD1 3.46Å; H96-F159 HydrophobicContact CB-CD2 3.9Å; H96-F159 HydrophobicContact CB-CE1 3.54Å; H96-F159 HydrophobicContact CB-CE2 3.98Å; H96-F159 HydrophobicContact CB-CG 3.65Å; H96-F159 HydrophobicContact CB-CZ 3.82Å; H96-F159 AromaticContact CD2-CD2 3.56Å; H96-F159 AromaticContact CD2-CG 3.58Å; H96-F159 AromaticContact CG-CD1 3.84Å; H96-F159 AromaticContact CG-CD2 3.9Å; H96-F159 AromaticContact CG-CG 3.58Å; V99-F159 HydrophobicContact CG2-CD1 3.96Å; V99-F159 HydrophobicContact CG2-CE1 4.41Å; T155-F159 PolarHBondContact O-N 3.15Å; G156-F159 WeakPolarHBondContact O-CB 3.42Å; G156-F159 PolarHBondContact O-N 3.4Å; L157-F159 VanDerWaalsContact C-N 3.3Å; L157-F159 PolarHBondContact O-N 3.44Å; F159-H161 PolarHBondContact O-N 2.98Å; F159-K162 PolarHBondContact O-N 2.94Å; F159-N163 WeakPolarHBondContact CD2-ND2 3.36Å; F159-N163 WeakPolarHBondContact CE2-ND2 3.34Å; F159-N163 WeakPolarHBondContact CZ-ND2 3.48Å; F159-N163 PolarHBondContact O-N 3.42Å; F159-N163 PolarHBondContact O-ND2 3.18Å
160L98Very high96.8Very high0 Ų024.1 Ų24.10%011%0.113CC..Hα-helixtrans-59.7-47.8178.6-68.7-179.3000111.4L94 V99 G156 L157 K162 N163 N164 V165 I185 F188L94-L160 HydrophobicContact CD1-CD2 3.62Å; L94-L160 HydrophobicContact CD2-CD2 4.04Å; L94-L160 HydrophobicContact CG-CD2 4.43Å; V99-L160 HydrophobicContact CG1-CD2 4.29Å; V99-L160 HydrophobicContact CG2-CD2 3.82Å; V99-L160 HydrophobicContact CG2-CG 4.04Å; G156-L160 WeakPolarHBondContact O-CG 3.39Å; G156-L160 PolarHBondContact O-N 3.02Å; L157-L160 HydrophobicContact CD2-CD1 4.32Å; L157-L160 PolarHBondContact O-N 3.27Å; L160-K162 PolarHBondContact O-N 3.42Å; L160-N163 CarbonylContact O-C 3.53Å; L160-N163 VanDerWaalsContact O-C 3.28Å; L160-N163 PolarHBondContact O-N 3.2Å; L160-N163 VanDerWaalsContact O-N 3.16Å; L160-N164 PolarHBondContact O-N 3.25Å; L160-N164 VanDerWaalsContact O-N 3.11Å; L160-V165 CarbonylContact C-O 3.59Å; L160-V165 HydrophobicContact CB-CB 4.32Å; L160-V165 HydrophobicContact CD2-CB 4.38Å; L160-V165 HydrophobicContact CD2-CG1 4.33Å; L160-V165 PolarHBondContact O-N 2.81Å; L160-I185 HydrophobicContact CD1-CD1 4.07Å; L160-I185 HydrophobicContact CD1-CG2 4.33Å; L160-F188 HydrophobicContact CD1-CE1 3.91Å; L160-F188 HydrophobicContact CD1-CZ 3.85Å; L160-F188 HydrophobicContact CD2-CE1 3.66Å; L160-F188 HydrophobicContact CD2-CZ 3.83Å; L160-F188 HydrophobicContact CG-CE1 4.46Å; L160-F188 HydrophobicContact CG-CZ 4.49Å
161H96.5Very high96.6Very high8 Ų825 Ų254%0.03712%0.117CC..Hα-helixtrans-66.5-38.5-177.8-71.3-178.5000112.2L157 Y158 F159 N163 N164 V165 R229 D232L157-H161 VanDerWaalsContact O-CB 3.28Å; L157-H161 WeakPolarHBondContact O-CB 3.45Å; L157-H161 PolarHBondContact O-N 3.11Å; Y158-H161 PolarHBondContact O-N 3.37Å; F159-H161 PolarHBondContact O-N 2.98Å; H161-N163 VanDerWaalsContact C-N 3.29Å; H161-N163 PolarHBondContact O-N 3.08Å; H161-N164 PolarHBondContact O-N 2.91Å; H161-V165 PolarHBondContact CD2-O 2.88Å; H161-R229 HydrophobicContact CB-CG 3.97Å; H161-R229 PolarHBondContact CE1-O 3.33Å; H161-R229 PolarHBondContact O-NE 3.18Å; H161-R229 VanDerWaalsContact O-NE 3.16Å; H161-R229 PolarHBondContact O-NH2 3.44Å; H161-D232 IonicContact CD2-OD2 2.76Å; H161-D232 IonicContact NE2-OD2 2.59Å; H161-D232 PolarHBondContact NE2-OD2 3.18Å
162K94.8Very high96.4Very high137 Ų13721.8 Ų21.860%0.59610%0.102SC*.Hα-helixtrans-62.9-36.5173.1-174.3174.8-176.7171.30111.9Y158 F159 L160 N164Y158-K162 HydrophobicContact CE1-CD 3.98Å; Y158-K162 WeakPolarHBondContact O-CB 3.46Å; Y158-K162 PolarHBondContact O-N 3.25Å; F159-K162 PolarHBondContact O-N 2.94Å; L160-K162 PolarHBondContact O-N 3.42Å; K162-N164 PolarHBondContact O-N 3.28Å
163N93.4Very high96.1Very high71 Ų7121.6 Ų21.638%0.3810%0.103SC..THydrogen-bonded Turntrans-86.116.8172.8-70.9-80000113.3L94 F159 L160 H161 V165L94-N163 HydrophobicContact CD2-CB 4.15Å; F159-N163 WeakPolarHBondContact CD2-ND2 3.36Å; F159-N163 WeakPolarHBondContact CE2-ND2 3.34Å; F159-N163 WeakPolarHBondContact CZ-ND2 3.48Å; F159-N163 PolarHBondContact O-N 3.42Å; F159-N163 PolarHBondContact O-ND2 3.18Å; L160-N163 CarbonylContact O-C 3.53Å; L160-N163 VanDerWaalsContact O-C 3.28Å; L160-N163 PolarHBondContact O-N 3.2Å; L160-N163 VanDerWaalsContact O-N 3.16Å; H161-N163 VanDerWaalsContact C-N 3.29Å; H161-N163 PolarHBondContact O-N 3.08Å; N163-V165 VanDerWaalsContact C-N 3.25Å; N163-V165 PolarHBondContact O-N 2.81Å
164N92.4Very high95.9Very high24 Ų2422.2 Ų22.213%0.12811%0.107CC..THydrogen-bonded Turntrans59.134.1173.8-70.9-28.5000114.1L160 H161 K162 L193 T194 S197 I198 R229L160-N164 PolarHBondContact O-N 3.25Å; L160-N164 VanDerWaalsContact O-N 3.11Å; H161-N164 PolarHBondContact O-N 2.91Å; K162-N164 PolarHBondContact O-N 3.28Å; N164-L193 CarbonylContact O-C 3.37Å; N164-L193 VanDerWaalsContact O-CA 3.26Å; N164-L193 WeakPolarHBondContact O-CA 3.26Å; N164-T194 HydrophobicContact CB-CG2 4.29Å; N164-T194 VanDerWaalsContact CB-O 3.24Å; N164-T194 WeakPolarHBondContact CB-O 3.24Å; N164-T194 WeakPolarHBondContact O-CG2 3.15Å; N164-T194 PolarHBondContact O-N 3.41Å; N164-S197 VanDerWaalsContact CG-OG 3.29Å; N164-S197 PolarHBondContact ND2-OG 3.25Å; N164-S197 PolarHBondContact OD1-OG 3.3Å; N164-I198 WeakPolarHBondContact ND2-CD1 3.44Å; N164-R229 PolarHBondContact OD1-NH2 2.82Å
165V93.5Very high95.9Very high0 Ų022.2 Ų22.20%011%0.107CC..EExtended strand (participates in β ladder)trans-106.7128.2174.1178.30000109.6I90 L94 L160 H161 N163 F188 A191 L193I90-V165 HydrophobicContact CG2-CG1 3.93Å; I90-V165 HydrophobicContact CG2-CG2 4.07Å; L94-V165 HydrophobicContact CD1-CG2 4.45Å; L94-V165 HydrophobicContact CD2-CG2 4.1Å; L160-V165 CarbonylContact C-O 3.59Å; L160-V165 HydrophobicContact CB-CB 4.32Å; L160-V165 HydrophobicContact CD2-CB 4.38Å; L160-V165 HydrophobicContact CD2-CG1 4.33Å; L160-V165 PolarHBondContact O-N 2.81Å; H161-V165 PolarHBondContact CD2-O 2.88Å; N163-V165 VanDerWaalsContact C-N 3.25Å; N163-V165 PolarHBondContact O-N 2.81Å; V165-F188 HydrophobicContact CG1-CD1 4.36Å; V165-F188 HydrophobicContact CG1-CE1 4.17Å; V165-A191 HydrophobicContact CG1-CB 4.28Å; V165-L193 HydrophobicContact CG2-CD2 3.9Å
166L95.1Very high95.8Very high1 Ų122.1 Ų22.11%0.00510%0.104CC..EExtended strand (participates in β ladder)trans-97.1127.6165.2-54.5-178.9000108.4R168 A191 R192 T194 Y206 Y227 R229L166-R168 HydrophobicContact CB-CG 3.73Å; L166-A191 CarbonylContact O-C 3.45Å; L166-A191 WeakPolarHBondContact O-CA 3.11Å; L166-A191 WeakPolarHBondContact O-CB 3.31Å; L166-R192 PolarHBondContact N-O 3.08Å; L166-R192 PolarHBondContact O-N 3.21Å; L166-T194 HydrophobicContact CD1-CG2 4.36Å; L166-T194 HydrophobicContact CD2-CG2 3.84Å; L166-T194 HydrophobicContact CG-CG2 3.81Å; L166-Y206 HydrophobicContact CD1-CE2 4.1Å; L166-Y227 HydrophobicContact CD1-CD2 4.39Å; L166-Y227 HydrophobicContact CD1-CE2 4.34Å; L166-R229 HydrophobicContact CD2-CB 4.34Å; L166-R229 HydrophobicContact CD2-CG 3.88Å; L166-R229 VanDerWaalsContact CD2-N 3.34Å
167H95.7Very high95.8Very high0 Ų022.1 Ų22.10%010%0.104CC..  trans-75.1-50.4-179.5-172.6-91.8000111.5D169 L170 A186 D187 F188 L190 A191 D232H167-D169 PolarHBondContact CE1-O 3.13Å; H167-D169 VanDerWaalsContact ND1-C 3.31Å; H167-D169 PolarHBondContact ND1-N 3.37Å; H167-D169 PolarHBondContact O-N 3Å; H167-D169 VanDerWaalsContact O-N 3.17Å; H167-L170 HydrophobicContact CB-CG 4.44Å; H167-L170 PolarHBondContact ND1-N 3.09Å; H167-A186 PolarHBondContact CE1-O 3.31Å; H167-A186 PolarHBondContact NE2-O 3.22Å; H167-D187 PolarHBondContact NE2-O 3.37Å; H167-F188 AromaticContact CD2-CE1 3.91Å; H167-F188 AromaticContact CD2-CZ 3.89Å; H167-L190 CarbonylContact O-C 3.56Å; H167-A191 WeakPolarHBondContact O-CA 3.24Å; H167-D232 WeakPolarHBondContact CB-OD1 3.4Å; H167-D232 PolarHBondContact N-OD1 3.25Å; H167-D232 PolarHBondContact N-OD2 2.64Å
168R94.7Very high95.6Very high8 Ų822.8 Ų22.83%0.0311%0.108CC..  trans62.911.4174.9-44.9-171.3-57.3159.110116.5L166 L190 V210 V211 Y227 D232L166-R168 HydrophobicContact CB-CG 3.73Å; R168-L190 PolarHBondContact NE-O 3.41Å; R168-L190 PolarHBondContact NH2-O 2.85Å; R168-V210 HydrophobicContact CB-CB 4.29Å; R168-V210 HydrophobicContact CB-CG2 4.34Å; R168-V211 WeakPolarHBondContact O-CA 3.39Å; R168-V211 WeakPolarHBondContact O-CG2 3.29Å; R168-V211 PolarHBondContact O-N 3.33Å; R168-Y227 HydrophobicContact CG-CE2 4.45Å; R168-Y227 PolarHBondContact NH1-OH 3.47Å; R168-D232 PolarHBondContact N-OD1 2.91Å
169D94.4Very high95.4Very high6 Ų624.3 Ų24.33%0.03211%0.113CC..  trans-147.246.8166.8-159.434.4000112.8H167 K171 N174 L190 T212H167-D169 PolarHBondContact CE1-O 3.13Å; H167-D169 VanDerWaalsContact ND1-C 3.31Å; H167-D169 PolarHBondContact ND1-N 3.37Å; H167-D169 PolarHBondContact O-N 3Å; H167-D169 VanDerWaalsContact O-N 3.17Å; D169-K171 PolarHBondContact O-N 3.38Å; D169-K171 IonicContact OD1-NZ 2.79Å; D169-K171 WeakPolarHBondContact OD2-CE 3.41Å; D169-K171 IonicContact OD2-NZ 3.46Å; D169-K171 PolarHBondContact OD2-NZ 3.08Å; D169-N174 PolarHBondContact O-ND2 2.94Å; D169-N174 PolarHBondContact OD2-ND2 2.97Å; D169-L190 HydrophobicContact CB-CB 4.32Å; D169-L190 HydrophobicContact CB-CD1 4.06Å; D169-L190 HydrophobicContact CB-CG 4.48Å; D169-T212 PolarHBondContact OD1-N 2.79Å; D169-T212 PolarHBondContact OD1-OG1 2.52Å
170L96.3Very high95.2Very high2 Ų228.9 Ų28.91%0.0114%0.135CC..  trans-69.2130172.5-78174.8000111L153 L157 H167 I175 I185 Y215 D232 I239L153-L170 HydrophobicContact CD1-CD2 4.36Å; L157-L170 HydrophobicContact CD1-CD1 3.85Å; L157-L170 HydrophobicContact CD2-CD1 3.76Å; L157-L170 HydrophobicContact CD2-CD2 4.38Å; L157-L170 HydrophobicContact CD2-CG 4.5Å; L157-L170 HydrophobicContact CG-CD1 4.42Å; H167-L170 HydrophobicContact CB-CG 4.44Å; H167-L170 PolarHBondContact ND1-N 3.09Å; L170-I175 HydrophobicContact CD2-CD1 3.89Å; L170-I185 HydrophobicContact CD2-CG2 4.08Å; L170-Y215 WeakPolarHBondContact O-CB 3.42Å; L170-D232 HydrophobicContact CD1-CB 3.74Å; L170-D232 WeakPolarHBondContact CD1-O 3.26Å; L170-I239 HydrophobicContact CB-CD1 4.31Å
171K94.9Very high95.1Very high18 Ų1829.1 Ų29.18%0.07814%0.137CC..  trans-163.5162.5174.556.6-174.5169.9-147.30108.6D169 S173 N174 T212 Y215 L411D169-K171 PolarHBondContact O-N 3.38Å; D169-K171 IonicContact OD1-NZ 2.79Å; D169-K171 WeakPolarHBondContact OD2-CE 3.41Å; D169-K171 IonicContact OD2-NZ 3.46Å; D169-K171 PolarHBondContact OD2-NZ 3.08Å; K171-S173 WeakPolarHBondContact CD-OG 3.28Å; K171-S173 WeakPolarHBondContact CE-OG 3.35Å; K171-S173 WeakPolarHBondContact CG-OG 3.49Å; K171-S173 PolarHBondContact O-N 3.24Å; K171-N174 VanDerWaalsContact CE-ND2 3.32Å; K171-N174 WeakPolarHBondContact CE-ND2 3.36Å; K171-N174 HydrophobicContact CG-CB 4.05Å; K171-N174 PolarHBondContact O-N 3.45Å; K171-T212 HydrophobicContact CD-CG2 4.29Å; K171-T212 WeakPolarHBondContact CD-OG1 3.22Å; K171-T212 PolarHBondContact NZ-OG1 3.14Å; K171-Y215 HydrophobicContact CB-CD1 4.4Å; K171-Y215 HydrophobicContact CB-CD2 3.7Å; K171-Y215 HydrophobicContact CB-CE1 4.23Å; K171-Y215 HydrophobicContact CB-CE2 3.51Å; K171-Y215 HydrophobicContact CB-CG 4.14Å; K171-L411 HydrophobicContact CD-CD2 4.11Å
172T95.1Very high95.1Very high0 Ų030.2 Ų30.20%014%0.144CC..G310 helixtrans-58.1-31.4-177.150.10000113.9L131 A132 L135 N174 I175 Y215 I239 E242 Y408L131-T172 WeakPolarHBondContact CB-O 3.17Å; L131-T172 HydrophobicContact CD2-CG2 4.03Å; L131-T172 HydrophobicContact CG-CG2 4.15Å; L131-T172 PolarHBondContact N-O 3.44Å; A132-T172 WeakPolarHBondContact CB-OG1 3.41Å; A132-T172 PolarHBondContact N-O 3.12Å; L135-T172 HydrophobicContact CD1-CG2 3.71Å; T172-N174 VanDerWaalsContact C-N 3.26Å; T172-N174 PolarHBondContact O-N 3.46Å; T172-I175 PolarHBondContact O-N 2.96Å; T172-Y215 WeakPolarHBondContact CG2-OH 3.49Å; T172-Y215 PolarHBondContact N-OH 2.81Å; T172-Y215 PolarHBondContact OG1-OH 2.87Å; T172-Y215 VanDerWaalsContact OG1-OH 3.08Å; T172-I239 HydrophobicContact CG2-CG1 4.15Å; T172-I239 HydrophobicContact CG2-CG2 4.33Å; T172-E242 HydrophobicContact CG2-CG 4.43Å; T172-Y408 PolarHBondContact OG1-OH 3.18Å
173S92.5Very high95.3Very high22 Ų2223.7 Ų23.715%0.15412%0.116CC..G310 helixtrans-73.5-14.8176.353.30000114.5K171K171-S173 WeakPolarHBondContact CD-OG 3.28Å; K171-S173 WeakPolarHBondContact CE-OG 3.35Å; K171-S173 WeakPolarHBondContact CG-OG 3.49Å; K171-S173 PolarHBondContact O-N 3.24Å
174N95.7Very high95.6Very high13 Ų1321.6 Ų21.67%0.0710%0.103CC..G310 helixtrans-98.55.3175.6-74.5-2.7000112.5D169 K171 T172 A186D169-N174 PolarHBondContact O-ND2 2.94Å; D169-N174 PolarHBondContact OD2-ND2 2.97Å; K171-N174 VanDerWaalsContact CE-ND2 3.32Å; K171-N174 WeakPolarHBondContact CE-ND2 3.36Å; K171-N174 HydrophobicContact CG-CB 4.05Å; K171-N174 PolarHBondContact O-N 3.45Å; T172-N174 VanDerWaalsContact C-N 3.26Å; T172-N174 PolarHBondContact O-N 3.46Å; N174-A186 WeakPolarHBondContact CB-O 3.15Å; N174-A186 PolarHBondContact O-N 3.43Å
175I97.6Very high95.8Very high0 Ų020.4 Ų20.40%010%0.097CC..EExtended strand (participates in β ladder)trans-106.2103.1173.9-54.4-46.6000108.1D130 L131 L153 L170 T172 L183 I185 I239D130-I175 CarbonylContact C-O 3.58Å; D130-I175 VanDerWaalsContact CA-O 3.32Å; D130-I175 WeakPolarHBondContact CA-O 3.43Å; L131-I175 HydrophobicContact CB-CB 4.02Å; L131-I175 HydrophobicContact CB-CG2 4.28Å; L131-I175 HydrophobicContact CD2-CB 4.42Å; L131-I175 HydrophobicContact CD2-CG2 4.35Å; L131-I175 PolarHBondContact N-O 3.32Å; L153-I175 HydrophobicContact CD1-CD1 3.65Å; L170-I175 HydrophobicContact CD2-CD1 3.89Å; T172-I175 PolarHBondContact O-N 2.96Å; I175-L183 HydrophobicContact CG2-CD1 3.44Å; I175-L183 VanDerWaalsContact CG2-CD1 3.44Å; I175-L183 HydrophobicContact CG2-CD2 3.94Å; I175-L183 HydrophobicContact CG2-CG 3.58Å; I175-I185 HydrophobicContact CD1-CG1 4.44Å; I175-I239 HydrophobicContact CD1-CD1 4.3Å; I175-I239 HydrophobicContact CG1-CD1 3.97Å
176L97.6Very high96Very high36 Ų3620.9 Ų20.919%0.18810%0.101CC..EExtended strand (participates in β ladder)trans-93.7154.4-178.9-53-176.5000110.8V100 C127 H129 D130 L183 K184 A186V100-L176 HydrophobicContact CG1-CD1 3.99Å; C127-L176 HydrophobicContact CB-CB 3.79Å; C127-L176 HydrophobicContact CB-CD1 4.31Å; H129-L176 CarbonylContact O-C 3.57Å; H129-L176 WeakPolarHBondContact O-CA 3.44Å; D130-L176 HydrophobicContact CB-CD2 3.69Å; L176-L183 CarbonylContact O-C 3.28Å; L176-L183 WeakPolarHBondContact O-CA 3.33Å; L176-K184 PolarHBondContact N-O 2.84Å; L176-K184 PolarHBondContact O-N 2.98Å; L176-A186 HydrophobicContact CD1-CB 3.55Å; L176-A186 HydrophobicContact CG-CB 3.7Å
177I97.3Very high95.8Very high0 Ų022.5 Ų22.50%011%0.109CC..EExtended strand (participates in β ladder)trans-135.8124.5172.7-53.2174.8000108.2E128 H129 L134 I149 L183 L345 L348E128-I177 PolarHBondContact N-O 2.85Å; H129-I177 HydrophobicContact CB-CB 4.38Å; H129-I177 PolarHBondContact N-O 3.35Å; H129-I177 VanDerWaalsContact N-O 3.08Å; H129-I177 PolarHBondContact O-N 3.42Å; L134-I177 HydrophobicContact CD1-CD1 3.92Å; I149-I177 HydrophobicContact CG1-CD1 4.42Å; I177-L183 HydrophobicContact CG1-CB 4.34Å; I177-L345 HydrophobicContact CD1-CD1 4.43Å; I177-L345 HydrophobicContact CG2-CB 4.39Å; I177-L345 HydrophobicContact CG2-CD1 4.48Å; I177-L348 HydrophobicContact CD1-CD1 3.92Å
178D95.2Very high95.6Very high14 Ų1422.6 Ų22.68%0.07511%0.11CC..  trans-82.2170.6174.365.326.9000112.6E180 G181 V182 K184D178-E180 PolarHBondContact O-N 3.11Å; D178-E180 PolarHBondContact OD1-N 3.14Å; D178-G181 PolarHBondContact O-N 2.71Å; D178-G181 PolarHBondContact OD1-N 3.27Å; D178-V182 PolarHBondContact N-O 2.88Å; D178-V182 VanDerWaalsContact N-O 3.08Å; D178-V182 WeakPolarHBondContact OD1-CA 3.4Å; D178-V182 WeakPolarHBondContact OD1-CB 3.46Å; D178-V182 PolarHBondContact OD1-N 2.96Å; D178-V182 WeakPolarHBondContact OD2-CB 3.04Å; D178-K184 WeakPolarHBondContact OD2-CE 3.49Å; D178-K184 IonicContact OD2-NZ 3.08Å; D178-K184 PolarHBondContact OD2-NZ 3.47Å; D178-K184 VanDerWaalsContact OD2-NZ 3.09Å
179R93.5Very high95.2Very high118 Ų11822.3 Ų22.345%0.44511%0.11SC..THydrogen-bonded Turntrans-56.5-34-178.9176.8178.6-63.3-94.5-9.9113.4E128 G181E128-R179 VanDerWaalsContact CD-CB 3.49Å; E128-R179 HydrophobicContact CG-CB 4.22Å; E128-R179 IonicContact OE1-CZ 2.76Å; E128-R179 IonicContact OE1-NE 2.78Å; E128-R179 PolarHBondContact OE1-NE 3.07Å; E128-R179 IonicContact OE1-NH2 3.18Å; E128-R179 PolarHBondContact OE1-NH2 3.13Å; E128-R179 PolarHBondContact OE2-N 2.94Å; R179-G181 PolarHBondContact O-N 2.85Å
180E94.9Very high94.9Very high129 Ų12924.5 Ų24.560%0.60312%0.121SC*.THydrogen-bonded Turntrans-78.6-5.5-178.5-65.569.5-146.100112D178D178-E180 PolarHBondContact O-N 3.11Å; D178-E180 PolarHBondContact OD1-N 3.14Å
181G95.7Very high94.6Very high4 Ų424.4 Ų24.44%0.04112%0.121CC..SBendtrans87.420.217800000113.9Q152 D178 R179 L345Q152-G181 PolarHBondContact NE2-O 3.42Å; Q152-G181 VanDerWaalsContact NE2-O 3.1Å; D178-G181 PolarHBondContact O-N 2.71Å; D178-G181 PolarHBondContact OD1-N 3.27Å; R179-G181 PolarHBondContact O-N 2.85Å; G181-L345 WeakPolarHBondContact O-CB 3.41Å
182V97.8Very high94.4Very high32 Ų3226.4 Ų26.419%0.19413%0.128CC..  trans-93.2118174.4-173.30000109.3E97 D178E97-V182 HydrophobicContact CB-CG1 4.28Å; E97-V182 WeakPolarHBondContact O-CG1 3.44Å; D178-V182 PolarHBondContact N-O 2.88Å; D178-V182 VanDerWaalsContact N-O 3.08Å; D178-V182 WeakPolarHBondContact OD1-CA 3.4Å; D178-V182 WeakPolarHBondContact OD1-CB 3.46Å; D178-V182 PolarHBondContact OD1-N 2.96Å; D178-V182 WeakPolarHBondContact OD2-CB 3.04Å
183L98.4Very high94.1Very high0 Ų027.7 Ų27.70%014%0.135CC..EExtended strand (participates in β ladder)trans-76.4135.6173.3177157.8000109.6N98 I149 Q152 L153 I175 L176 I177 L345N98-L183 WeakPolarHBondContact CA-O 3.32Å; N98-L183 WeakPolarHBondContact CB-O 3.41Å; N98-L183 PolarHBondContact ND2-O 3.28Å; I149-L183 HydrophobicContact CB-CD1 4.37Å; I149-L183 HydrophobicContact CG2-CD1 3.85Å; I149-L183 WeakPolarHBondContact O-CD1 3.45Å; Q152-L183 HydrophobicContact CB-CB 3.83Å; Q152-L183 HydrophobicContact CB-CD1 4.43Å; Q152-L183 HydrophobicContact CB-CD2 4.38Å; Q152-L183 HydrophobicContact CB-CG 4.46Å; L153-L183 HydrophobicContact CB-CD1 4.32Å; L153-L183 HydrophobicContact CB-CD2 4.26Å; I175-L183 HydrophobicContact CG2-CD1 3.44Å; I175-L183 VanDerWaalsContact CG2-CD1 3.44Å; I175-L183 HydrophobicContact CG2-CD2 3.94Å; I175-L183 HydrophobicContact CG2-CG 3.58Å; L176-L183 CarbonylContact O-C 3.28Å; L176-L183 WeakPolarHBondContact O-CA 3.33Å; I177-L183 HydrophobicContact CG1-CB 4.34Å; L183-L345 HydrophobicContact CB-CD1 4.45Å
184K98.5Very high93.7Very high26 Ų2626.8 Ų26.811%0.11313%0.128CC..EExtended strand (participates in β ladder)trans-128.6126.8177.7-52.5-174-164.5-630111.1E97 V100 L176 D178E97-K184 PolarHBondContact O-NZ 3.02Å; V100-K184 HydrophobicContact CG1-CB 3.84Å; L176-K184 PolarHBondContact N-O 2.84Å; L176-K184 PolarHBondContact O-N 2.98Å; D178-K184 WeakPolarHBondContact OD2-CE 3.49Å; D178-K184 IonicContact OD2-NZ 3.08Å; D178-K184 PolarHBondContact OD2-NZ 3.47Å; D178-K184 VanDerWaalsContact OD2-NZ 3.09Å
185I98.5Very high92.9Very high0 Ų026.3 Ų26.30%013%0.126CC..EExtended strand (participates in β ladder)trans-71.6128.9169.2-58.5169.1000108.3N98 V100 L153 L157 L160 L170 I175 F188N98-I185 PolarHBondContact O-N 3.43Å; V100-I185 WeakPolarHBondContact CG1-O 3.39Å; V100-I185 WeakPolarHBondContact CG2-O 3.14Å; V100-I185 PolarHBondContact N-O 3.48Å; L153-I185 HydrophobicContact CD1-CD1 4Å; L153-I185 HydrophobicContact CD1-CG1 3.9Å; L157-I185 HydrophobicContact CD2-CD1 3.78Å; L157-I185 HydrophobicContact CG-CD1 3.96Å; L160-I185 HydrophobicContact CD1-CD1 4.07Å; L160-I185 HydrophobicContact CD1-CG2 4.33Å; L170-I185 HydrophobicContact CD2-CG2 4.08Å; I175-I185 HydrophobicContact CD1-CG1 4.44Å; I185-F188 HydrophobicContact CG2-CE2 4.39Å; I185-F188 HydrophobicContact CG2-CZ 4.28Å
186A95.7Very high91.6Very high10 Ų1028.6 Ų28.68%0.08314%0.142CC..  trans-127.8169-174.100000113.1V100 H167 N174 L176V100-A186 HydrophobicContact CG1-CB 3.56Å; V100-A186 HydrophobicContact CG2-CB 4.29Å; H167-A186 PolarHBondContact CE1-O 3.31Å; H167-A186 PolarHBondContact NE2-O 3.22Å; N174-A186 WeakPolarHBondContact CB-O 3.15Å; N174-A186 PolarHBondContact O-N 3.43Å; L176-A186 HydrophobicContact CD1-CB 3.55Å; L176-A186 HydrophobicContact CG-CB 3.7Å
187D91.1Very high90.3Very high34 Ų3429.7 Ų29.718%0.18215%0.152CC..  trans64.378.9177.7-159.413.8000115.3F51 K69 H167 G189F51-D187 WeakPolarHBondContact CD2-OD1 3.36Å; K69-D187 IonicContact NZ-OD1 3.23Å; K69-D187 PolarHBondContact NZ-OD1 3.03Å; H167-D187 PolarHBondContact NE2-O 3.37Å; D187-G189 PolarHBondContact O-N 3.3Å
188F91.9Very high89Confident2 Ų232.5 Ų32.51%0.00917%0.167CC..G310 helixtrans-88.416.7-179.8-74.2-106.1000112.6E87 I90 L91 L94 V99 V100 L160 V165 H167 I185 L190 A191E87-F188 HydrophobicContact CG-CB 4.12Å; I90-F188 HydrophobicContact CG2-CD1 3.9Å; L91-F188 HydrophobicContact CD1-CB 4.47Å; L91-F188 HydrophobicContact CD2-CB 4.24Å; L91-F188 HydrophobicContact CD2-CD2 3.55Å; L91-F188 HydrophobicContact CD2-CE2 4.01Å; L91-F188 HydrophobicContact CD2-CG 3.85Å; L91-F188 HydrophobicContact CG-CB 4.16Å; L91-F188 HydrophobicContact CG-CD2 4.38Å; L91-F188 HydrophobicContact CG-CG 4.28Å; L94-F188 HydrophobicContact CD1-CD1 4.27Å; L94-F188 HydrophobicContact CD1-CE1 3.78Å; L94-F188 HydrophobicContact CD1-CZ 4.28Å; V99-F188 HydrophobicContact CG1-CE2 3.92Å; V99-F188 HydrophobicContact CG1-CZ 3.61Å; V100-F188 HydrophobicContact CG2-CD2 4.23Å; V100-F188 HydrophobicContact CG2-CE2 4.06Å; L160-F188 HydrophobicContact CD1-CE1 3.91Å; L160-F188 HydrophobicContact CD1-CZ 3.85Å; L160-F188 HydrophobicContact CD2-CE1 3.66Å; L160-F188 HydrophobicContact CD2-CZ 3.83Å; L160-F188 HydrophobicContact CG-CE1 4.46Å; L160-F188 HydrophobicContact CG-CZ 4.49Å; V165-F188 HydrophobicContact CG1-CD1 4.36Å; V165-F188 HydrophobicContact CG1-CE1 4.17Å; H167-F188 AromaticContact CD2-CE1 3.91Å; H167-F188 AromaticContact CD2-CZ 3.89Å; I185-F188 HydrophobicContact CG2-CE2 4.39Å; I185-F188 HydrophobicContact CG2-CZ 4.28Å; F188-L190 PolarHBondContact O-N 2.88Å; F188-L190 VanDerWaalsContact O-N 3.16Å; F188-A191 HydrophobicContact CB-CB 3.86Å; F188-A191 HydrophobicContact CD1-CB 3.62Å; F188-A191 HydrophobicContact CG-CB 4.17Å; F188-A191 WeakPolarHBondContact O-CB 3.47Å; F188-A191 PolarHBondContact O-N 3.16Å
189G86.6Confident87.8Confident3 Ų334.1 Ų34.13%0.03117%0.172CC..G310 helixtrans-60.3-25.8-178.600000114D187D187-G189 PolarHBondContact O-N 3.3Å
190L87.6Confident86.7Confident51 Ų5133.8 Ų33.827%0.26719%0.185SC..G310 helixtrans-103.43.3171.6-64.1-171.8000113.9F51 H167 R168 D169 F188F51-L190 HydrophobicContact CE1-CD2 4.27Å; F51-L190 HydrophobicContact CE2-CG 4.21Å; F51-L190 HydrophobicContact CZ-CD2 3.6Å; F51-L190 HydrophobicContact CZ-CG 3.64Å; H167-L190 CarbonylContact O-C 3.56Å; R168-L190 PolarHBondContact NE-O 3.41Å; R168-L190 PolarHBondContact NH2-O 2.85Å; D169-L190 HydrophobicContact CB-CB 4.32Å; D169-L190 HydrophobicContact CB-CD1 4.06Å; D169-L190 HydrophobicContact CB-CG 4.48Å; F188-L190 PolarHBondContact O-N 2.88Å; F188-L190 VanDerWaalsContact O-N 3.16Å
191A91.1Very high85.7Confident0 Ų033.6 Ų33.60%019%0.188CC..  trans-67.5152.7-176.300000112.6R86 I90 V165 L166 H167 F188R86-A191 WeakPolarHBondContact CD-O 3.36Å; I90-A191 HydrophobicContact CD1-CB 3.79Å; I90-A191 HydrophobicContact CG2-CB 4.44Å; V165-A191 HydrophobicContact CG1-CB 4.28Å; L166-A191 CarbonylContact O-C 3.45Å; L166-A191 WeakPolarHBondContact O-CA 3.11Å; L166-A191 WeakPolarHBondContact O-CB 3.31Å; H167-A191 WeakPolarHBondContact O-CA 3.24Å; F188-A191 HydrophobicContact CB-CB 3.86Å; F188-A191 HydrophobicContact CD1-CB 3.62Å; F188-A191 HydrophobicContact CG-CB 4.17Å; F188-A191 WeakPolarHBondContact O-CB 3.47Å; F188-A191 PolarHBondContact O-N 3.16Å
192R89.6Confident84.4Confident60 Ų6040 Ų4023%0.22621%0.211CC..EExtended strand (participates in β ladder)trans-140.6147.2175.4-76.4-72.5178.51617.9111.2R86 L166R86-R192 VanDerWaalsContact NE-NH1 3.17Å; L166-R192 PolarHBondContact N-O 3.08Å; L166-R192 PolarHBondContact O-N 3.21Å
193L89.4Confident83Confident28 Ų2841.2 Ų41.215%0.14723%0.225CC..EExtended strand (participates in β ladder)trans-71.7144.4163.3-64.2172.1000109.9L9 I90 N164 V165L9-L193 HydrophobicContact CD1-CD1 4.13Å; I90-L193 HydrophobicContact CG1-CG 4.45Å; N164-L193 CarbonylContact O-C 3.37Å; N164-L193 VanDerWaalsContact O-CA 3.26Å; N164-L193 WeakPolarHBondContact O-CA 3.26Å; V165-L193 HydrophobicContact CG2-CD2 3.9Å
194T84.9Confident82Confident3 Ų342.7 Ų42.72%0.01824%0.235CC..  trans-123.7135.8175.5179.10000112N164 L166 S196 Y206N164-T194 HydrophobicContact CB-CG2 4.29Å; N164-T194 VanDerWaalsContact CB-O 3.24Å; N164-T194 WeakPolarHBondContact CB-O 3.24Å; N164-T194 WeakPolarHBondContact O-CG2 3.15Å; N164-T194 PolarHBondContact O-N 3.41Å; L166-T194 HydrophobicContact CD1-CG2 4.36Å; L166-T194 HydrophobicContact CD2-CG2 3.84Å; L166-T194 HydrophobicContact CG-CG2 3.81Å; T194-S196 PolarHBondContact OG1-N 3.48Å; T194-S196 PolarHBondContact OG1-OG 3.48Å; T194-S196 VanDerWaalsContact OG1-OG 3.13Å; T194-Y206 WeakPolarHBondContact CA-OH 3.48Å; T194-Y206 WeakPolarHBondContact CB-OH 3.33Å; T194-Y206 PolarHBondContact OG1-OH 3.04Å
195V77.2Confident81.3Confident3 Ų350 Ų502%0.01826%0.262CS..  trans-1003.5176.1-63.30000112.3L9 L10 L13 S197 I198 R199 S204L9-V195 HydrophobicContact CD2-CG1 4.06Å; L10-V195 HydrophobicContact CD2-CG1 4.45Å; L13-V195 HydrophobicContact CD1-CG1 3.94Å; V195-S197 PolarHBondContact O-N 3.07Å; V195-I198 PolarHBondContact O-N 3.35Å; V195-R199 PolarHBondContact O-N 3.49Å; V195-S204 WeakPolarHBondContact CG2-OG 3.39Å
196S72.3Confident80.6Confident48 Ų4850.8 Ų50.834%0.33627%0.265SS..THydrogen-bonded Turntrans-60-24.4-172.3-54.10000114.1T194T194-S196 PolarHBondContact OG1-N 3.48Å; T194-S196 PolarHBondContact OG1-OG 3.48Å; T194-S196 VanDerWaalsContact OG1-OG 3.13Å
197S69.6Low80Confident59 Ų5953.1 Ų53.141%0.41328%0.278SS..THydrogen-bonded Turntrans-82.2-23.1174.861.50000113.8N164 V195 R229N164-S197 VanDerWaalsContact CG-OG 3.29Å; N164-S197 PolarHBondContact ND2-OG 3.25Å; N164-S197 PolarHBondContact OD1-OG 3.3Å; V195-S197 PolarHBondContact O-N 3.07Å; S197-R229 VanDerWaalsContact CB-NH2 3.3Å
198I69.7Low79.5Confident59 Ų5952 Ų5230%0.30327%0.274SS..THydrogen-bonded Turntrans-98-40-175.8-53.4170.7000110.4M1 L6 N164 V195M1-I198 HydrophobicContact CE-CD1 4.45Å; M1-I198 HydrophobicContact SD-CD1 4.15Å; L6-I198 HydrophobicContact CD1-CB 4.39Å; L6-I198 HydrophobicContact CD1-CD1 3.95Å; L6-I198 HydrophobicContact CD1-CG2 3.65Å; L6-I198 HydrophobicContact CD2-CG2 3.64Å; L6-I198 HydrophobicContact CG-CG2 4.31Å; N164-I198 WeakPolarHBondContact ND2-CD1 3.44Å; V195-I198 PolarHBondContact O-N 3.35Å
199R69.4Low79.2Confident47 Ų4757.5 Ų57.518%0.17730%0.295CS..  trans-127.376.9178.3-68-160.2-179.2174.76.9110D7 V195 D201 R202D7-R199 IonicContact OD1-NH2 2.97Å; D7-R199 PolarHBondContact OD1-NH2 3.05Å; V195-R199 PolarHBondContact O-N 3.49Å; R199-D201 WeakPolarHBondContact CA-OD1 3.29Å; R199-D201 WeakPolarHBondContact CB-OD1 3.41Å; R199-D201 PolarHBondContact O-N 2.97Å; R199-R202 HydrophobicContact CB-CB 4.09Å; R199-R202 CarbonylContact O-C 3.44Å; R199-R202 PolarHBondContact O-N 2.89Å
200P70.3Confident79.1Confident111 Ų11157.7 Ų57.772%0.72130%0.295SS*.THydrogen-bonded Turntrans-62.1-21.3174.826-33.8000112.3R202P200-R202 VanDerWaalsContact C-N 3.34Å
201D73.9Confident79.1Confident125 Ų12555.6 Ų55.667%0.66829%0.285SS*.THydrogen-bonded Turntrans-74.5-19.7173.767.1-49.5000113.6R199R199-D201 WeakPolarHBondContact CA-OD1 3.29Å; R199-D201 WeakPolarHBondContact CB-OD1 3.41Å; R199-D201 PolarHBondContact O-N 2.97Å
202R68.2Low79Confident139 Ų13956.7 Ų56.753%0.52529%0.292SS..SBendtrans-121.176.3179.4-64.3-167.7-176.1-168.3-1.2111.4R199 P200 S204R199-R202 HydrophobicContact CB-CB 4.09Å; R199-R202 CarbonylContact O-C 3.44Å; R199-R202 PolarHBondContact O-N 2.89Å; P200-R202 VanDerWaalsContact C-N 3.34Å; R202-S204 PolarHBondContact O-N 3.2Å; R202-S204 VanDerWaalsContact O-N 3.14Å
203A69.8Low79.2Confident58 Ų5854.2 Ų54.248%0.47928%0.282SS..  trans-58.4119.3171.800000110.2Y226A203-Y226 HydrophobicContact CB-CD1 3.65Å; A203-Y226 HydrophobicContact CB-CE1 4.36Å; A203-Y226 HydrophobicContact CB-CG 4.34Å
204S76.4Confident79.6Confident31 Ų3153.4 Ų53.422%0.21728%0.277CS..  trans-71.4131.3177.2-64.60000110.6V195 R202 Y206V195-S204 WeakPolarHBondContact CG2-OG 3.39Å; R202-S204 PolarHBondContact O-N 3.2Å; R202-S204 VanDerWaalsContact O-N 3.14Å; S204-Y206 VanDerWaalsContact CB-OH 3.3Å; S204-Y206 WeakPolarHBondContact CB-OH 3.45Å; S204-Y206 PolarHBondContact O-N 3.4Å; S204-Y206 PolarHBondContact OG-OH 3.43Å
205R83.6Confident80.2Confident179 Ų17953.4 Ų53.468%0.67528%0.277SS*.  trans-82100.9170.8-167.9-178.2-176.4-163.51.1109.2R225 Y226R205-R225 CarbonylContact C-O 3.49Å; R205-R225 WeakPolarHBondContact CA-O 3.44Å; R205-R225 HydrophobicContact CG-CB 3.79Å; R205-Y226 HydrophobicContact CB-CE1 3.94Å; R205-Y226 HydrophobicContact CG-CE1 4.39Å
206Y84.3Confident81.1Confident17 Ų1754.1 Ų54.17%0.06728%0.28CS..  trans-85166.4178.8-63.9-62.8000112.7L166 T194 S204 R225 Y227L166-Y206 HydrophobicContact CD1-CE2 4.1Å; T194-Y206 WeakPolarHBondContact CA-OH 3.48Å; T194-Y206 WeakPolarHBondContact CB-OH 3.33Å; T194-Y206 PolarHBondContact OG1-OH 3.04Å; S204-Y206 VanDerWaalsContact CB-OH 3.3Å; S204-Y206 WeakPolarHBondContact CB-OH 3.45Å; S204-Y206 PolarHBondContact O-N 3.4Å; S204-Y206 PolarHBondContact OG-OH 3.43Å; Y206-R225 PolarHBondContact N-O 3.16Å; Y206-R225 PolarHBondContact O-NE 3.07Å; Y206-R225 PolarHBondContact O-NH2 3.14Å; Y206-Y227 VanDerWaalsContact CB-OH 3.29Å; Y206-Y227 WeakPolarHBondContact CB-OH 3.38Å; Y206-Y227 HydrophobicContact CD2-CD2 4.12Å; Y206-Y227 HydrophobicContact CD2-CE1 4.49Å; Y206-Y227 AromaticContact CD2-CE2 3.96Å; Y206-Y227 HydrophobicContact CD2-CE2 3.96Å; Y206-Y227 HydrophobicContact CD2-CG 4.46Å; Y206-Y227 WeakPolarHBondContact CD2-O 3.3Å; Y206-Y227 VanDerWaalsContact CE2-O 3.22Å; Y206-Y227 WeakPolarHBondContact CE2-O 3.35Å; Y206-Y227 HydrophobicContact CG-CE1 4.46Å; Y206-Y227 HydrophobicContact CG-CE2 4.1Å
207T82.3Confident82.4Confident59 Ų5951.9 Ų51.936%0.36226%0.264SS..  trans-61.7135.8170.2-41.50000111.4Y227T207-Y227 WeakPolarHBondContact O-CE1 3.24Å; T207-Y227 PolarHBondContact O-OH 2.95Å
208G82Confident83.7Confident9 Ų949 Ų499%0.09324%0.244CC..SBendtrans-75.4-177.5170.500000112.1V210 R225G208-V210 PolarHBondContact O-N 3.22Å; G208-V210 VanDerWaalsContact O-N 3.12Å; G208-R225 VanDerWaalsContact N-CZ 3.3Å
209R84.6Confident85Confident118 Ų11846.3 Ų46.345%0.44523%0.23SC..SBendtrans49.139.7174.8-66.3-170.9166.4158.81.5115.2E255R209-E255 IonicContact CZ-OE2 3.87Å; R209-E255 IonicContact NE-OE1 3.29Å; R209-E255 IonicContact NE-OE2 2.71Å; R209-E255 PolarHBondContact NE-OE2 3.32Å; R209-E255 IonicContact NH2-OE2 3.34Å; R209-E255 PolarHBondContact NH2-OE2 3.39Å
210V85.2Confident86.2Confident8 Ų844.2 Ų44.25%0.04822%0.222CC..  trans-91.3173.7169.4-66.20000110.3R168 G208 R216 I220 Y227R168-V210 HydrophobicContact CB-CB 4.29Å; R168-V210 HydrophobicContact CB-CG2 4.34Å; G208-V210 PolarHBondContact O-N 3.22Å; G208-V210 VanDerWaalsContact O-N 3.12Å; V210-R216 PolarHBondContact O-NE 3.14Å; V210-I220 HydrophobicContact CG2-CD1 4Å; V210-I220 HydrophobicContact CG2-CG1 4.45Å; V210-I220 HydrophobicContact CG2-CG2 4.16Å; V210-Y227 HydrophobicContact CG2-CE1 4.46Å; V210-Y227 HydrophobicContact CG2-CE2 4.42Å; V210-Y227 WeakPolarHBondContact CG2-OH 3.41Å
211V86.7Confident87.5Confident7 Ų739.6 Ų39.64%0.04219%0.191CC..SBendtrans67.1133.5-177.3-167.90000112.9R168 L213 Y215 R216 V231R168-V211 WeakPolarHBondContact O-CA 3.39Å; R168-V211 WeakPolarHBondContact O-CG2 3.29Å; R168-V211 PolarHBondContact O-N 3.33Å; V211-L213 PolarHBondContact O-N 3.04Å; V211-Y215 WeakPolarHBondContact CG1-O 3.21Å; V211-R216 HydrophobicContact CB-CB 4.28Å; V211-R216 HydrophobicContact CB-CG 4.39Å; V211-R216 HydrophobicContact CG1-CB 4.37Å; V211-R216 PolarHBondContact O-NE 3Å; V211-R216 VanDerWaalsContact O-NE 3.14Å; V211-R216 PolarHBondContact O-NH2 3.12Å; V211-V231 HydrophobicContact CG2-CG1 3.67Å
212T89.6Confident88.5Confident23 Ų2333.7 Ų33.714%0.14116%0.16CC..  trans-53.7132.1170.5-62.20000110.9D169 K171 W214 Y215 R216 P412D169-T212 PolarHBondContact OD1-N 2.79Å; D169-T212 PolarHBondContact OD1-OG1 2.52Å; K171-T212 HydrophobicContact CD-CG2 4.29Å; K171-T212 WeakPolarHBondContact CD-OG1 3.22Å; K171-T212 PolarHBondContact NZ-OG1 3.14Å; T212-W214 VanDerWaalsContact C-N 3.33Å; T212-W214 PolarHBondContact O-N 3.09Å; T212-W214 VanDerWaalsContact O-N 3.08Å; T212-Y215 HydrophobicContact CG2-CD2 4.38Å; T212-Y215 CarbonylContact O-C 3.6Å; T212-Y215 PolarHBondContact O-N 2.93Å; T212-R216 PolarHBondContact O-N 3.44Å; T212-R216 VanDerWaalsContact O-N 3.14Å; T212-P412 HydrophobicContact CG2-CG 3.64Å
213L94.8Very high89.8Confident7 Ų730.6 Ų30.64%0.03715%0.154CC..G310 helixtrans-48.3-45.2-164.6-178.861.2000114.9V211 Y215 R216 L221 G252 E255 Q258 P412V211-L213 PolarHBondContact O-N 3.04Å; L213-Y215 PolarHBondContact O-N 2.79Å; L213-R216 VanDerWaalsContact O-CB 3.29Å; L213-R216 WeakPolarHBondContact O-CB 3.47Å; L213-R216 PolarHBondContact O-N 3.43Å; L213-R216 VanDerWaalsContact O-N 3.11Å; L213-L221 HydrophobicContact CD1-CD2 4.06Å; L213-G252 VanDerWaalsContact CD2-O 3.29Å; L213-G252 WeakPolarHBondContact CD2-O 3.37Å; L213-E255 HydrophobicContact CD1-CG 4.3Å; L213-Q258 HydrophobicContact CD1-CB 3.72Å; L213-Q258 HydrophobicContact CD1-CG 3.89Å; L213-Q258 HydrophobicContact CG-CB 4.11Å; L213-Q258 HydrophobicContact CG-CG 4.19Å; L213-Q258 VanDerWaalsContact O-CD 3.26Å; L213-Q258 WeakPolarHBondContact O-CG 3.43Å; L213-Q258 PolarHBondContact O-NE2 3.33Å; L213-P412 HydrophobicContact CB-CG 4.34Å
214W96.4Very high90.9Very high11 Ų1129.1 Ų29.14%0.04214%0.138CC..G310 helixtrans-67.6-19-177.5-60.7-13.8000114.5T212 P248 M250 Q251 G252 Q258 R409 L411 P412T212-W214 VanDerWaalsContact C-N 3.33Å; T212-W214 PolarHBondContact O-N 3.09Å; T212-W214 VanDerWaalsContact O-N 3.08Å; W214-P248 HydrophobicContact CD2-CB 4.48Å; W214-P248 HydrophobicContact CE3-CB 3.82Å; W214-P248 HydrophobicContact CE3-CG 3.71Å; W214-P248 HydrophobicContact CZ3-CB 4.36Å; W214-P248 HydrophobicContact CZ3-CG 3.86Å; W214-M250 WeakPolarHBondContact CA-O 3.42Å; W214-M250 WeakPolarHBondContact CB-O 3.28Å; W214-Q251 HydrophobicContact CD2-CB 4.29Å; W214-Q251 HydrophobicContact CD2-CG 3.92Å; W214-Q251 HydrophobicContact CE3-CG 4.14Å; W214-Q251 HydrophobicContact CG-CG 4.45Å; W214-Q251 HydrophobicContact CH2-CG 4.17Å; W214-Q251 HydrophobicContact CZ2-CB 3.99Å; W214-Q251 HydrophobicContact CZ2-CG 3.95Å; W214-Q251 HydrophobicContact CZ3-CG 4.27Å; W214-G252 PolarHBondContact NE1-O 3Å; W214-Q258 PolarHBondContact O-NE2 3.33Å; W214-R409 HydrophobicContact CH2-CB 4.1Å; W214-R409 VanDerWaalsContact CH2-O 3.31Å; W214-R409 WeakPolarHBondContact CH2-O 3.05Å; W214-R409 WeakPolarHBondContact CZ3-O 3.44Å; W214-L411 VanDerWaalsContact CH2-O 3.24Å; W214-L411 WeakPolarHBondContact CH2-O 3.12Å; W214-L411 VanDerWaalsContact CZ3-C 3.44Å; W214-P412 HydrophobicContact CD2-CB 4.13Å; W214-P412 HydrophobicContact CD2-CG 3.62Å; W214-P412 HydrophobicContact CE3-CG 4.12Å; W214-P412 HydrophobicContact CG-CB 4.45Å; W214-P412 HydrophobicContact CG-CG 3.79Å; W214-P412 HydrophobicContact CZ2-CB 4.03Å; W214-P412 HydrophobicContact CZ2-CG 4.36Å
215Y97.5Very high91.5Very high4 Ų430.8 Ų30.82%0.01614%0.139CC..G310 helixtrans-108.22177.4-59.1-96.2000111.7L170 K171 T172 V211 T212 L213 C238 I239 E242L170-Y215 WeakPolarHBondContact O-CB 3.42Å; K171-Y215 HydrophobicContact CB-CD1 4.4Å; K171-Y215 HydrophobicContact CB-CD2 3.7Å; K171-Y215 HydrophobicContact CB-CE1 4.23Å; K171-Y215 HydrophobicContact CB-CE2 3.51Å; K171-Y215 HydrophobicContact CB-CG 4.14Å; T172-Y215 WeakPolarHBondContact CG2-OH 3.49Å; T172-Y215 PolarHBondContact N-OH 2.81Å; T172-Y215 PolarHBondContact OG1-OH 2.87Å; T172-Y215 VanDerWaalsContact OG1-OH 3.08Å; V211-Y215 WeakPolarHBondContact CG1-O 3.21Å; T212-Y215 HydrophobicContact CG2-CD2 4.38Å; T212-Y215 CarbonylContact O-C 3.6Å; T212-Y215 PolarHBondContact O-N 2.93Å; L213-Y215 PolarHBondContact O-N 2.79Å; Y215-C238 HydrophobicContact CD1-CB 3.68Å; Y215-C238 HydrophobicContact CE1-CB 4.12Å; Y215-I239 HydrophobicContact CD1-CG1 4.2Å; Y215-I239 HydrophobicContact CE1-CG1 3.73Å; Y215-E242 PolarHBondContact OH-OE2 2.94Å
216R97.5Very high91.8Very high18 Ų1828.9 Ų28.97%0.06813%0.133CC..  trans-74126.2-176.2-171.4178.6-72.2157.112.5110V210 V211 T212 L213 I220 L221 E255V210-R216 PolarHBondContact O-NE 3.14Å; V211-R216 HydrophobicContact CB-CB 4.28Å; V211-R216 HydrophobicContact CB-CG 4.39Å; V211-R216 HydrophobicContact CG1-CB 4.37Å; V211-R216 PolarHBondContact O-NE 3Å; V211-R216 VanDerWaalsContact O-NE 3.14Å; V211-R216 PolarHBondContact O-NH2 3.12Å; T212-R216 PolarHBondContact O-N 3.44Å; T212-R216 VanDerWaalsContact O-N 3.14Å; L213-R216 VanDerWaalsContact O-CB 3.29Å; L213-R216 WeakPolarHBondContact O-CB 3.47Å; L213-R216 PolarHBondContact O-N 3.43Å; L213-R216 VanDerWaalsContact O-N 3.11Å; R216-I220 HydrophobicContact CG-CB 3.77Å; R216-I220 HydrophobicContact CG-CG2 3.69Å; R216-L221 HydrophobicContact CB-CG 4.46Å; R216-L221 HydrophobicContact CG-CD2 4.2Å; R216-L221 HydrophobicContact CG-CG 3.96Å; R216-E255 IonicContact CZ-OE1 3.91Å; R216-E255 IonicContact NH1-OE1 3.44Å; R216-E255 PolarHBondContact NH1-OE1 3.21Å
217P97.8Very high92.1Very high0 Ų028.4 Ų28.40%013%0.131CC..  trans-77.2161.5-178.535.8-40.5000112E219 I220 L221 V231 W234P217-E219 VanDerWaalsContact C-N 3.29Å; P217-E219 HydrophobicContact CB-CG 4.49Å; P217-E219 WeakPolarHBondContact CB-OE1 3.46Å; P217-E219 WeakPolarHBondContact CB-OE2 3.46Å; P217-E219 HydrophobicContact CG-CG 4.26Å; P217-E219 PolarHBondContact O-N 3.29Å; P217-I220 HydrophobicContact CG-CB 4.11Å; P217-I220 HydrophobicContact CG-CG1 3.58Å; P217-I220 PolarHBondContact O-N 3.31Å; P217-I220 VanDerWaalsContact O-N 3.14Å; P217-L221 PolarHBondContact O-N 2.89Å; P217-L221 VanDerWaalsContact O-N 3.16Å; P217-V231 HydrophobicContact CG-CB 4.31Å; P217-V231 HydrophobicContact CG-CG1 4.02Å; P217-V231 HydrophobicContact CG-CG2 4.13Å; P217-W234 HydrophobicContact CB-CB 3.74Å; P217-W234 HydrophobicContact CB-CD2 3.86Å; P217-W234 HydrophobicContact CB-CG 3.48Å; P217-W234 VanDerWaalsContact CB-CG 3.48Å
218P97.6Very high92.6Very high0 Ų026.3 Ų26.30%012%0.122CC..Hα-helixtrans-61.2-33.4-175.925.9-35.5000113.2I220 L221 L222 W234 L259 I262 I269 W274 L319P218-I220 VanDerWaalsContact C-N 3.34Å; P218-I220 PolarHBondContact O-N 3.4Å; P218-L221 PolarHBondContact O-N 3.37Å; P218-L222 WeakPolarHBondContact O-CB 3.28Å; P218-L222 WeakPolarHBondContact O-CG 3.44Å; P218-L222 PolarHBondContact O-N 3.45Å; P218-W234 HydrophobicContact CG-CH2 4.26Å; P218-W234 HydrophobicContact CG-CZ3 4.17Å; P218-L259 HydrophobicContact CB-CD1 4.34Å; P218-I262 HydrophobicContact CB-CG2 4.43Å; P218-I269 HydrophobicContact CB-CD1 4.05Å; P218-W274 HydrophobicContact CB-CZ3 4.08Å; P218-W274 HydrophobicContact CG-CZ3 4.27Å; P218-L319 HydrophobicContact CB-CD2 4.43Å; P218-L319 HydrophobicContact CG-CD2 4.05Å
219E96.9Very high93.3Very high2 Ų230.1 Ų30.11%0.00913%0.133CC..Hα-helixtrans-63.1-35.8175.562.9-87.4-160.800114P217 N223 D224 V231 W274 P321 R324P217-E219 VanDerWaalsContact C-N 3.29Å; P217-E219 HydrophobicContact CB-CG 4.49Å; P217-E219 WeakPolarHBondContact CB-OE1 3.46Å; P217-E219 WeakPolarHBondContact CB-OE2 3.46Å; P217-E219 HydrophobicContact CG-CG 4.26Å; P217-E219 PolarHBondContact O-N 3.29Å; E219-N223 PolarHBondContact O-N 3.26Å; E219-D224 HydrophobicContact CB-CB 4.18Å; E219-D224 VanDerWaalsContact O-CB 3.24Å; E219-D224 WeakPolarHBondContact O-CB 3.26Å; E219-D224 PolarHBondContact O-N 3.16Å; E219-V231 HydrophobicContact CG-CG2 4.38Å; E219-W274 HydrophobicContact CB-CH2 3.65Å; E219-W274 HydrophobicContact CB-CZ2 3.95Å; E219-P321 HydrophobicContact CG-CG 4.5Å; E219-R324 IonicContact OE1-CZ 2.84Å; E219-R324 IonicContact OE1-NH1 2.71Å; E219-R324 PolarHBondContact OE1-NH1 2.99Å; E219-R324 IonicContact OE1-NH2 2.71Å; E219-R324 PolarHBondContact OE1-NH2 3.37Å; E219-R324 IonicContact OE2-CZ 3.82Å; E219-R324 IonicContact OE2-NH1 3.75Å; E219-R324 IonicContact OE2-NH2 3.58Å; E219-R324 PolarHBondContact OE2-NH2 3.07Å
220I96.1Very high93.9Very high3 Ų326.1 Ų26.12%0.01512%0.122CC..Hα-helixtrans-75-38.1175.3-58.9-64.5000110.5V210 R216 P217 P218 L222 N223 Y227 V231V210-I220 HydrophobicContact CG2-CD1 4Å; V210-I220 HydrophobicContact CG2-CG1 4.45Å; V210-I220 HydrophobicContact CG2-CG2 4.16Å; R216-I220 HydrophobicContact CG-CB 3.77Å; R216-I220 HydrophobicContact CG-CG2 3.69Å; P217-I220 HydrophobicContact CG-CB 4.11Å; P217-I220 HydrophobicContact CG-CG1 3.58Å; P217-I220 PolarHBondContact O-N 3.31Å; P217-I220 VanDerWaalsContact O-N 3.14Å; P218-I220 VanDerWaalsContact C-N 3.34Å; P218-I220 PolarHBondContact O-N 3.4Å; I220-L222 VanDerWaalsContact C-N 3.28Å; I220-L222 PolarHBondContact O-N 2.94Å; I220-N223 WeakPolarHBondContact O-CA 3.5Å; I220-N223 PolarHBondContact O-N 3.07Å; I220-Y227 HydrophobicContact CD1-CD1 3.2Å; I220-Y227 HydrophobicContact CD1-CD2 3.94Å; I220-Y227 HydrophobicContact CD1-CE1 3.44Å; I220-Y227 VanDerWaalsContact CD1-CE1 3.44Å; I220-Y227 HydrophobicContact CD1-CE2 4.17Å; I220-Y227 HydrophobicContact CD1-CG 3.44Å; I220-Y227 VanDerWaalsContact CD1-CG 3.44Å; I220-V231 HydrophobicContact CD1-CG2 4.02Å; I220-V231 HydrophobicContact CG1-CG1 4.34Å; I220-V231 HydrophobicContact CG1-CG2 4.05Å
221L96.3Very high94.4Very high13 Ų1325.9 Ų25.97%0.06812%0.121CC..Hα-helixtrans-65.5-30.9175.9-71.5165.7000112.8L213 R216 P217 P218 N223 E255 Q258 L259 I262L213-L221 HydrophobicContact CD1-CD2 4.06Å; R216-L221 HydrophobicContact CB-CG 4.46Å; R216-L221 HydrophobicContact CG-CD2 4.2Å; R216-L221 HydrophobicContact CG-CG 3.96Å; P217-L221 PolarHBondContact O-N 2.89Å; P217-L221 VanDerWaalsContact O-N 3.16Å; P218-L221 PolarHBondContact O-N 3.37Å; L221-N223 PolarHBondContact O-N 3.3Å; L221-E255 HydrophobicContact CD2-CB 3.8Å; L221-E255 HydrophobicContact CD2-CG 4.09Å; L221-Q258 HydrophobicContact CD1-CB 4.25Å; L221-Q258 HydrophobicContact CD1-CG 3.77Å; L221-Q258 HydrophobicContact CD2-CB 4.34Å; L221-Q258 HydrophobicContact CD2-CG 4.37Å; L221-L259 HydrophobicContact CB-CD1 4.2Å; L221-L259 HydrophobicContact CD1-CB 4.31Å; L221-L259 HydrophobicContact CD1-CD1 4.2Å; L221-I262 HydrophobicContact CD1-CD1 3.39Å
222L95.8Very high95Very high1 Ų125.6 Ų25.61%0.00512%0.119CC..THydrogen-bonded Turntrans-85.811.2172.7-66.5174.9000112.9P218 I220 D224 L259 I269 W274 V277 L280 T282 I286 L288P218-L222 WeakPolarHBondContact O-CB 3.28Å; P218-L222 WeakPolarHBondContact O-CG 3.44Å; P218-L222 PolarHBondContact O-N 3.45Å; I220-L222 VanDerWaalsContact C-N 3.28Å; I220-L222 PolarHBondContact O-N 2.94Å; L222-D224 VanDerWaalsContact C-N 3.27Å; L222-D224 PolarHBondContact O-N 2.91Å; L222-L259 HydrophobicContact CD2-CD2 3.83Å; L222-L259 HydrophobicContact CG-CD2 4.47Å; L222-I269 HydrophobicContact CD1-CD1 4.19Å; L222-I269 HydrophobicContact CD1-CG2 4.25Å; L222-W274 HydrophobicContact CD1-CH2 4.01Å; L222-W274 HydrophobicContact CD1-CZ3 3.79Å; L222-V277 HydrophobicContact CD1-CG2 3.75Å; L222-L280 HydrophobicContact CB-CD1 3.71Å; L222-L280 HydrophobicContact CD1-CD1 4.12Å; L222-T282 HydrophobicContact CD2-CG2 4.37Å; L222-T282 WeakPolarHBondContact O-CB 3.33Å; L222-T282 PolarHBondContact O-OG1 2.7Å; L222-I286 HydrophobicContact CD2-CG2 4.29Å; L222-L288 HydrophobicContact CD2-CD1 4.28Å
223N93.8Very high95.4Very high74 Ų7424.5 Ų24.540%0.39611%0.113SC..THydrogen-bonded Turntrans57.634.8176.3-164.538.4000113.7E219 I220 L221 R225 T282E219-N223 PolarHBondContact O-N 3.26Å; I220-N223 WeakPolarHBondContact O-CA 3.5Å; I220-N223 PolarHBondContact O-N 3.07Å; L221-N223 PolarHBondContact O-N 3.3Å; N223-R225 PolarHBondContact O-N 2.88Å; N223-T282 WeakPolarHBondContact CB-OG1 3.29Å
224D93.3Very high95.6Very high28 Ų2824.2 Ų24.215%0.1511%0.111CC..  trans-62.2130.9164.6-170-2.7000108.6E219 L222 Y226 Y227 L280E219-D224 HydrophobicContact CB-CB 4.18Å; E219-D224 VanDerWaalsContact O-CB 3.24Å; E219-D224 WeakPolarHBondContact O-CB 3.26Å; E219-D224 PolarHBondContact O-N 3.16Å; L222-D224 VanDerWaalsContact C-N 3.27Å; L222-D224 PolarHBondContact O-N 2.91Å; D224-Y226 PolarHBondContact OD1-N 3.3Å; D224-Y227 VanDerWaalsContact O-CD1 3.3Å; D224-Y227 WeakPolarHBondContact O-CD1 3.45Å; D224-L280 HydrophobicContact CB-CD1 4.38Å; D224-L280 HydrophobicContact CB-CD2 3.82Å
225R90Very high95.7Very high66 Ų6623.7 Ų23.725%0.24911%0.109CC..SBendtrans-104.9-6.1-179.8-55.6-63.1-62.1-104.1-10.3111.9R205 Y206 G208 N223R205-R225 CarbonylContact C-O 3.49Å; R205-R225 WeakPolarHBondContact CA-O 3.44Å; R205-R225 HydrophobicContact CG-CB 3.79Å; Y206-R225 PolarHBondContact N-O 3.16Å; Y206-R225 PolarHBondContact O-NE 3.07Å; Y206-R225 PolarHBondContact O-NH2 3.14Å; G208-R225 VanDerWaalsContact N-CZ 3.3Å; N223-R225 PolarHBondContact O-N 2.88Å
226Y89.5Confident95.8Very high138 Ų13823.5 Ų23.554%0.54111%0.109SC..SBendtrans-110.731.1-178.3-57.7-78000111.8A203 R205 D224A203-Y226 HydrophobicContact CB-CD1 3.65Å; A203-Y226 HydrophobicContact CB-CE1 4.36Å; A203-Y226 HydrophobicContact CB-CG 4.34Å; R205-Y226 HydrophobicContact CB-CE1 3.94Å; R205-Y226 HydrophobicContact CG-CE1 4.39Å; D224-Y226 PolarHBondContact OD1-N 3.3Å
227Y91.1Very high95.8Very high7 Ų722.7 Ų22.73%0.02711%0.105CC..  trans-70.8167.4178.661.6-98.7000112.6L166 R168 Y206 T207 V210 I220 D224 V231L166-Y227 HydrophobicContact CD1-CD2 4.39Å; L166-Y227 HydrophobicContact CD1-CE2 4.34Å; R168-Y227 HydrophobicContact CG-CE2 4.45Å; R168-Y227 PolarHBondContact NH1-OH 3.47Å; Y206-Y227 VanDerWaalsContact CB-OH 3.29Å; Y206-Y227 WeakPolarHBondContact CB-OH 3.38Å; Y206-Y227 HydrophobicContact CD2-CD2 4.12Å; Y206-Y227 HydrophobicContact CD2-CE1 4.49Å; Y206-Y227 AromaticContact CD2-CE2 3.96Å; Y206-Y227 HydrophobicContact CD2-CE2 3.96Å; Y206-Y227 HydrophobicContact CD2-CG 4.46Å; Y206-Y227 WeakPolarHBondContact CD2-O 3.3Å; Y206-Y227 VanDerWaalsContact CE2-O 3.22Å; Y206-Y227 WeakPolarHBondContact CE2-O 3.35Å; Y206-Y227 HydrophobicContact CG-CE1 4.46Å; Y206-Y227 HydrophobicContact CG-CE2 4.1Å; T207-Y227 WeakPolarHBondContact O-CE1 3.24Å; T207-Y227 PolarHBondContact O-OH 2.95Å; V210-Y227 HydrophobicContact CG2-CE1 4.46Å; V210-Y227 HydrophobicContact CG2-CE2 4.42Å; V210-Y227 WeakPolarHBondContact CG2-OH 3.41Å; I220-Y227 HydrophobicContact CD1-CD1 3.2Å; I220-Y227 HydrophobicContact CD1-CD2 3.94Å; I220-Y227 HydrophobicContact CD1-CE1 3.44Å; I220-Y227 VanDerWaalsContact CD1-CE1 3.44Å; I220-Y227 HydrophobicContact CD1-CE2 4.17Å; I220-Y227 HydrophobicContact CD1-CG 3.44Å; I220-Y227 VanDerWaalsContact CD1-CG 3.44Å; D224-Y227 VanDerWaalsContact O-CD1 3.3Å; D224-Y227 WeakPolarHBondContact O-CD1 3.45Å; Y227-V231 HydrophobicContact CD2-CG2 3.76Å; Y227-V231 HydrophobicContact CG-CG2 4.02Å
228G92.8Very high95.9Very high16 Ų1622.8 Ų22.817%0.16511%0.106CC..  trans-148.4-148.4-179.700000113.8P230 V231G228-P230 VanDerWaalsContact C-N 3.29Å; G228-P230 VanDerWaalsContact O-N 3.15Å; G228-V231 WeakPolarHBondContact O-CB 3.41Å; G228-V231 WeakPolarHBondContact O-CG2 3.43Å; G228-V231 PolarHBondContact O-N 2.9Å; G228-V231 VanDerWaalsContact O-N 3.14Å
229R95.7Very high95.9Very high89 Ų8922.8 Ų22.834%0.33611%0.106SC..THydrogen-bonded Turntrans-47.1-37.9-178.8-65169.6-179.8171.50.9115H161 N164 L166 S197 V231 D232H161-R229 HydrophobicContact CB-CG 3.97Å; H161-R229 PolarHBondContact CE1-O 3.33Å; H161-R229 PolarHBondContact O-NE 3.18Å; H161-R229 VanDerWaalsContact O-NE 3.16Å; H161-R229 PolarHBondContact O-NH2 3.44Å; N164-R229 PolarHBondContact OD1-NH2 2.82Å; L166-R229 HydrophobicContact CD2-CB 4.34Å; L166-R229 HydrophobicContact CD2-CG 3.88Å; L166-R229 VanDerWaalsContact CD2-N 3.34Å; S197-R229 VanDerWaalsContact CB-NH2 3.3Å; R229-V231 PolarHBondContact O-N 3.23Å; R229-D232 PolarHBondContact O-N 3.08Å; R229-D232 VanDerWaalsContact O-N 3.16Å
230P97.2Very high96Very high33 Ų3322.7 Ų22.721%0.21411%0.106CC..Hα-helixtrans-58.1-22.8-179.9-28.537.7000115.2G228 D232 I233 W234 P321 R324G228-P230 VanDerWaalsContact C-N 3.29Å; G228-P230 VanDerWaalsContact O-N 3.15Å; P230-D232 VanDerWaalsContact C-N 3.3Å; P230-D232 PolarHBondContact O-N 3.11Å; P230-I233 PolarHBondContact O-N 3.28Å; P230-I233 VanDerWaalsContact O-N 3.16Å; P230-W234 PolarHBondContact O-N 3.14Å; P230-P321 HydrophobicContact CB-CB 3.7Å; P230-P321 WeakPolarHBondContact CB-O 3.43Å; P230-P321 HydrophobicContact CG-CB 4.08Å; P230-P321 VanDerWaalsContact CG-O 3.24Å; P230-P321 WeakPolarHBondContact CG-O 3.24Å; P230-R324 PolarHBondContact O-NH1 3.21Å
231V97.2Very high96Very high3 Ų322.6 Ų22.62%0.01811%0.105CC..Hα-helixtrans-57.9-43.9177169.20000111.3V211 P217 E219 I220 Y227 G228 R229 G235V211-V231 HydrophobicContact CG2-CG1 3.67Å; P217-V231 HydrophobicContact CG-CB 4.31Å; P217-V231 HydrophobicContact CG-CG1 4.02Å; P217-V231 HydrophobicContact CG-CG2 4.13Å; E219-V231 HydrophobicContact CG-CG2 4.38Å; I220-V231 HydrophobicContact CD1-CG2 4.02Å; I220-V231 HydrophobicContact CG1-CG1 4.34Å; I220-V231 HydrophobicContact CG1-CG2 4.05Å; Y227-V231 HydrophobicContact CD2-CG2 3.76Å; Y227-V231 HydrophobicContact CG-CG2 4.02Å; G228-V231 WeakPolarHBondContact O-CB 3.41Å; G228-V231 WeakPolarHBondContact O-CG2 3.43Å; G228-V231 PolarHBondContact O-N 2.9Å; G228-V231 VanDerWaalsContact O-N 3.14Å; R229-V231 PolarHBondContact O-N 3.23Å; V231-G235 PolarHBondContact O-N 3.42Å
232D98.3Very high96Very high1 Ų122 Ų221%0.00510%0.102CC..Hα-helixtrans-71.4-34.5178.6-64.8-32.3000111.1L157 H161 H167 R168 L170 R229 P230 W234 G235 A236L157-D232 HydrophobicContact CD2-CB 4.14Å; H161-D232 IonicContact CD2-OD2 2.76Å; H161-D232 IonicContact NE2-OD2 2.59Å; H161-D232 PolarHBondContact NE2-OD2 3.18Å; H167-D232 WeakPolarHBondContact CB-OD1 3.4Å; H167-D232 PolarHBondContact N-OD1 3.25Å; H167-D232 PolarHBondContact N-OD2 2.64Å; R168-D232 PolarHBondContact N-OD1 2.91Å; L170-D232 HydrophobicContact CD1-CB 3.74Å; L170-D232 WeakPolarHBondContact CD1-O 3.26Å; R229-D232 PolarHBondContact O-N 3.08Å; R229-D232 VanDerWaalsContact O-N 3.16Å; P230-D232 VanDerWaalsContact C-N 3.3Å; P230-D232 PolarHBondContact O-N 3.11Å; D232-W234 VanDerWaalsContact C-N 3.31Å; D232-W234 PolarHBondContact O-N 3.27Å; D232-G235 PolarHBondContact O-N 3.3Å; D232-G235 VanDerWaalsContact O-N 3.15Å; D232-A236 PolarHBondContact O-N 3.05Å
233I98.7Very high96.1Very high1 Ų122 Ų221%0.00510%0.102CC..Hα-helixtrans-64.8-37179-53.8-58.8000111.8L157 P230 A236 G237 L316 R324 L325 A327L157-I233 HydrophobicContact CD1-CD1 4.44Å; P230-I233 PolarHBondContact O-N 3.28Å; P230-I233 VanDerWaalsContact O-N 3.16Å; I233-A236 WeakPolarHBondContact O-CB 3.09Å; I233-A236 PolarHBondContact O-N 3.09Å; I233-G237 PolarHBondContact O-N 3.08Å; I233-L316 HydrophobicContact CG2-CD2 3.33Å; I233-L316 HydrophobicContact CG2-CG 4.5Å; I233-R324 HydrophobicContact CG2-CG 4.19Å; I233-L325 VanDerWaalsContact CG2-O 3.3Å; I233-L325 WeakPolarHBondContact CG2-O 3.41Å; I233-A327 HydrophobicContact CD1-CB 3.97Å
234W98.8Very high96.1Very high0 Ų019.9 Ų19.90%09%0.089CC..Hα-helixtrans-60.8-45.6172.5178.1-84.5000112P217 P218 P230 D232 A236 G237 C238 M250 I262 L317P217-W234 HydrophobicContact CB-CB 3.74Å; P217-W234 HydrophobicContact CB-CD2 3.86Å; P217-W234 HydrophobicContact CB-CG 3.48Å; P217-W234 VanDerWaalsContact CB-CG 3.48Å; P218-W234 HydrophobicContact CG-CH2 4.26Å; P218-W234 HydrophobicContact CG-CZ3 4.17Å; P230-W234 PolarHBondContact O-N 3.14Å; D232-W234 VanDerWaalsContact C-N 3.31Å; D232-W234 PolarHBondContact O-N 3.27Å; W234-A236 VanDerWaalsContact C-N 3.27Å; W234-A236 PolarHBondContact O-N 2.74Å; W234-G237 WeakPolarHBondContact O-CA 3.32Å; W234-G237 PolarHBondContact O-N 2.95Å; W234-C238 PolarHBondContact O-N 2.83Å; W234-M250 HydrophobicContact CZ2-CE 3.76Å; W234-M250 HydrophobicContact CZ2-SD 4.42Å; W234-I262 HydrophobicContact CH2-CG1 4.46Å; W234-I262 HydrophobicContact CH2-CG2 3.81Å; W234-I262 HydrophobicContact CZ2-CD1 3.89Å; W234-I262 HydrophobicContact CZ2-CG1 3.93Å; W234-I262 HydrophobicContact CZ2-CG2 4.14Å; W234-L317 HydrophobicContact CD2-CD2 4Å; W234-L317 HydrophobicContact CE3-CD2 4.08Å; W234-L317 HydrophobicContact CH2-CD2 4.43Å; W234-L317 HydrophobicContact CZ2-CD2 4.35Å; W234-L317 HydrophobicContact CZ3-CB 4.34Å; W234-L317 HydrophobicContact CZ3-CD2 4.3Å
235G98.3Very high96.1Very high1 Ų119 Ų191%0.018%0.084CC..Hα-helixtrans-56-43.2174.500000111.9V231 D232 G237 C238 I239V231-G235 PolarHBondContact O-N 3.42Å; D232-G235 PolarHBondContact O-N 3.3Å; D232-G235 VanDerWaalsContact O-N 3.15Å; G235-G237 PolarHBondContact O-N 3.11Å; G235-C238 PolarHBondContact O-N 3.34Å; G235-I239 VanDerWaalsContact O-CG1 3.3Å; G235-I239 WeakPolarHBondContact O-CG1 3.46Å; G235-I239 PolarHBondContact O-N 3.44Å
236A98.8Very high96.1Very high0 Ų018.9 Ų18.90%09%0.089CC..Hα-helixtrans-63.1-38.1174.200000112.9L153 L154 L157 D232 I233 W234 I239 M240L153-A236 HydrophobicContact CD2-CB 4.14Å; L154-A236 HydrophobicContact CD2-CB 4.4Å; L157-A236 HydrophobicContact CD1-CB 3.87Å; D232-A236 PolarHBondContact O-N 3.05Å; I233-A236 WeakPolarHBondContact O-CB 3.09Å; I233-A236 PolarHBondContact O-N 3.09Å; W234-A236 VanDerWaalsContact C-N 3.27Å; W234-A236 PolarHBondContact O-N 2.74Å; A236-I239 PolarHBondContact O-N 3.02Å; A236-M240 WeakPolarHBondContact O-CB 3.22Å; A236-M240 PolarHBondContact O-N 3.07Å
237G98.7Very high96.2Very high0 Ų016.2 Ų16.20%08%0.078CC..Hα-helixtrans-62.2-43.1173.500000113.1I233 W234 G235 M240 A241I233-G237 PolarHBondContact O-N 3.08Å; W234-G237 WeakPolarHBondContact O-CA 3.32Å; W234-G237 PolarHBondContact O-N 2.95Å; G235-G237 PolarHBondContact O-N 3.11Å; G237-M240 PolarHBondContact O-N 3.42Å; G237-A241 PolarHBondContact O-N 3.49Å; G237-A241 VanDerWaalsContact O-N 3.09Å
238C98.4Very high96.3Very high3 Ų316 Ų162%0.028%0.078CC..Hα-helixtrans-62.2-46.5173.7-70.30000111.9Y215 W234 G235 M240 A241 E242 M250Y215-C238 HydrophobicContact CD1-CB 3.68Å; Y215-C238 HydrophobicContact CE1-CB 4.12Å; W234-C238 PolarHBondContact O-N 2.83Å; G235-C238 PolarHBondContact O-N 3.34Å; C238-M240 VanDerWaalsContact C-N 3.32Å; C238-M240 PolarHBondContact O-N 2.94Å; C238-A241 PolarHBondContact O-N 3.34Å; C238-E242 PolarHBondContact O-N 2.86Å; C238-E242 VanDerWaalsContact O-N 3.07Å; C238-M250 VanDerWaalsContact SG-CE 3.51Å
239I98.2Very high96.4Very high0 Ų017 Ų170%08%0.079CC..Hα-helixtrans-59.9-43.7176.5-69.2165.3000110.6L131 L153 L170 T172 I175 Y215 G235 A236 A241 E242 L243L131-I239 HydrophobicContact CD2-CG2 3.62Å; L153-I239 HydrophobicContact CD2-CB 4.49Å; L153-I239 HydrophobicContact CD2-CD1 4.29Å; L153-I239 HydrophobicContact CD2-CG2 4.11Å; L170-I239 HydrophobicContact CB-CD1 4.31Å; T172-I239 HydrophobicContact CG2-CG1 4.15Å; T172-I239 HydrophobicContact CG2-CG2 4.33Å; I175-I239 HydrophobicContact CD1-CD1 4.3Å; I175-I239 HydrophobicContact CG1-CD1 3.97Å; Y215-I239 HydrophobicContact CD1-CG1 4.2Å; Y215-I239 HydrophobicContact CE1-CG1 3.73Å; G235-I239 VanDerWaalsContact O-CG1 3.3Å; G235-I239 WeakPolarHBondContact O-CG1 3.46Å; G235-I239 PolarHBondContact O-N 3.44Å; A236-I239 PolarHBondContact O-N 3.02Å; I239-A241 PolarHBondContact O-N 2.94Å; I239-E242 WeakPolarHBondContact O-CB 3.25Å; I239-E242 PolarHBondContact O-N 3.07Å; I239-L243 PolarHBondContact O-N 3.21Å
240M98.4Very high96.4Very high0 Ų013 Ų130%06%0.064CC..Hα-helixtrans-60-47.3179.4-172170.6175.700111.4M150 A236 G237 C238 E242 L243 W244 A309 L312 I313 L316 F335M150-M240 HydrophobicContact CE-CB 3.62Å; M150-M240 HydrophobicContact CE-CG 3.96Å; M150-M240 HydrophobicContact CE-SD 4.01Å; M150-M240 HydrophobicContact CG-CB 4.3Å; M150-M240 HydrophobicContact CG-CG 3.82Å; M150-M240 HydrophobicContact CG-SD 4.18Å; M150-M240 HydrophobicContact SD-CB 3.54Å; M150-M240 VanDerWaalsContact SD-CB 3.54Å; M150-M240 HydrophobicContact SD-CG 3.76Å; M150-M240 HydrophobicContact SD-SD 4.45Å; A236-M240 WeakPolarHBondContact O-CB 3.22Å; A236-M240 PolarHBondContact O-N 3.07Å; G237-M240 PolarHBondContact O-N 3.42Å; C238-M240 VanDerWaalsContact C-N 3.32Å; C238-M240 PolarHBondContact O-N 2.94Å; M240-E242 VanDerWaalsContact C-N 3.26Å; M240-E242 PolarHBondContact O-N 3.41Å; M240-L243 WeakPolarHBondContact O-CB 3.3Å; M240-L243 PolarHBondContact O-N 3.02Å; M240-W244 HydrophobicContact CE-CH2 4.02Å; M240-W244 HydrophobicContact CE-CZ3 4.05Å; M240-W244 HydrophobicContact CG-CZ3 3.92Å; M240-W244 VanDerWaalsContact O-CZ3 3.3Å; M240-W244 WeakPolarHBondContact O-CZ3 3.44Å; M240-A309 HydrophobicContact CE-CB 4.02Å; M240-L312 HydrophobicContact CE-CB 4.04Å; M240-L312 HydrophobicContact CE-CD2 3.84Å; M240-L312 HydrophobicContact CE-CG 4.13Å; M240-L312 HydrophobicContact SD-CB 4.2Å; M240-L312 HydrophobicContact SD-CD2 3.76Å; M240-L312 HydrophobicContact SD-CG 3.79Å; M240-I313 HydrophobicContact CB-CG1 4.02Å; M240-I313 HydrophobicContact CE-CD1 4.48Å; M240-I313 HydrophobicContact CE-CG1 4.08Å; M240-I313 HydrophobicContact CG-CD1 4.04Å; M240-I313 HydrophobicContact CG-CG1 3.6Å; M240-I313 HydrophobicContact SD-CG1 3.68Å; M240-L316 HydrophobicContact SD-CD1 4Å; M240-F335 HydrophobicContact CE-CD1 3.92Å; M240-F335 HydrophobicContact CE-CE1 3.66Å; M240-F335 HydrophobicContact CE-CE2 4.31Å; M240-F335 HydrophobicContact CE-CG 4.33Å; M240-F335 HydrophobicContact CE-CZ 3.87Å
241A97.4Very high96.3Very high0 Ų014.2 Ų14.20%07%0.067CC..Hα-helixtrans-61.6-38.3177.300000111.9G237 C238 I239 L243 W244 T245 I249 I313G237-A241 PolarHBondContact O-N 3.49Å; G237-A241 VanDerWaalsContact O-N 3.09Å; C238-A241 PolarHBondContact O-N 3.34Å; I239-A241 PolarHBondContact O-N 2.94Å; A241-L243 PolarHBondContact O-N 3.41Å; A241-W244 PolarHBondContact O-N 3Å; A241-W244 VanDerWaalsContact O-N 3.07Å; A241-T245 PolarHBondContact O-N 3.36Å; A241-T245 VanDerWaalsContact O-N 3.1Å; A241-T245 PolarHBondContact O-OG1 3.03Å; A241-I249 HydrophobicContact CB-CD1 3.81Å; A241-I249 HydrophobicContact CB-CG1 4.39Å; A241-I249 HydrophobicContact CB-CG2 3.7Å; A241-I313 HydrophobicContact CB-CD1 4.2Å; A241-I313 HydrophobicContact CB-CG2 4.18Å
242E96.1Very high96.2Very high1 Ų114.2 Ų14.21%0.0057%0.067CC..Hα-helixtrans-62.4-26.8179.2-167.2169.515700113.7L135 T172 Y215 C238 I239 M240 W244 T245 N246 Y408L135-E242 HydrophobicContact CD1-CG 3.79Å; L135-E242 WeakPolarHBondContact CD1-OE1 3.32Å; T172-E242 HydrophobicContact CG2-CG 4.43Å; Y215-E242 PolarHBondContact OH-OE2 2.94Å; C238-E242 PolarHBondContact O-N 2.86Å; C238-E242 VanDerWaalsContact O-N 3.07Å; I239-E242 WeakPolarHBondContact O-CB 3.25Å; I239-E242 PolarHBondContact O-N 3.07Å; M240-E242 VanDerWaalsContact C-N 3.26Å; M240-E242 PolarHBondContact O-N 3.41Å; E242-W244 PolarHBondContact O-N 2.98Å; E242-T245 WeakPolarHBondContact CA-OG1 3.14Å; E242-N246 WeakPolarHBondContact O-CA 3.2Å; E242-N246 PolarHBondContact O-N 3.46Å; E242-Y408 WeakPolarHBondContact OE1-CE2 3.34Å; E242-Y408 PolarHBondContact OE1-OH 3.31Å
243L96.7Very high95.9Very high1 Ų120.8 Ų20.81%0.00510%0.098CC..Hα-helixtrans-60-25.9173.8-63.7177.9000113.2L131 F141 K146 I149 M150 I239 M240 A241L131-L243 HydrophobicContact CD1-CD2 3.86Å; L131-L243 HydrophobicContact CD2-CD2 3.99Å; L131-L243 HydrophobicContact CG-CD2 4.41Å; F141-L243 HydrophobicContact CD2-CD2 4.31Å; F141-L243 HydrophobicContact CE2-CD2 4.21Å; K146-L243 HydrophobicContact CB-CD1 4.2Å; K146-L243 HydrophobicContact CD-CB 4.1Å; K146-L243 WeakPolarHBondContact CE-O 3.24Å; K146-L243 HydrophobicContact CG-CB 4.22Å; K146-L243 HydrophobicContact CG-CD1 4.43Å; I149-L243 HydrophobicContact CB-CD1 4.42Å; I149-L243 HydrophobicContact CD1-CD2 4.09Å; I149-L243 HydrophobicContact CG2-CD1 4.1Å; I149-L243 HydrophobicContact CG2-CD2 4.24Å; M150-L243 HydrophobicContact CG-CD1 3.74Å; M150-L243 HydrophobicContact SD-CD1 3.93Å; I239-L243 PolarHBondContact O-N 3.21Å; M240-L243 WeakPolarHBondContact O-CB 3.3Å; M240-L243 PolarHBondContact O-N 3.02Å; A241-L243 PolarHBondContact O-N 3.41Å
244W94.8Very high95.7Very high29 Ų2923.9 Ų23.911%0.1112%0.115CC..Hα-helixtrans-101.5-41.6176.3-76.9-97.2000112.8L143 K146 M240 A241 E242 N246 I304 A309 F335L143-W244 HydrophobicContact CD1-CZ2 3.99Å; K146-W244 HydrophobicContact CB-CH2 4.15Å; K146-W244 HydrophobicContact CB-CZ2 4.32Å; K146-W244 HydrophobicContact CD-CD2 3.72Å; K146-W244 VanDerWaalsContact CD-CE2 3.4Å; K146-W244 HydrophobicContact CD-CE3 4.08Å; K146-W244 HydrophobicContact CD-CG 4.33Å; K146-W244 HydrophobicContact CD-CH2 3.9Å; K146-W244 HydrophobicContact CD-CZ2 3.52Å; K146-W244 HydrophobicContact CD-CZ3 4.15Å; M240-W244 HydrophobicContact CE-CH2 4.02Å; M240-W244 HydrophobicContact CE-CZ3 4.05Å; M240-W244 HydrophobicContact CG-CZ3 3.92Å; M240-W244 VanDerWaalsContact O-CZ3 3.3Å; M240-W244 WeakPolarHBondContact O-CZ3 3.44Å; A241-W244 PolarHBondContact O-N 3Å; A241-W244 VanDerWaalsContact O-N 3.07Å; E242-W244 PolarHBondContact O-N 2.98Å; W244-N246 VanDerWaalsContact C-N 3.3Å; W244-N246 PolarHBondContact O-N 3.39Å; W244-N246 PolarHBondContact O-ND2 3.43Å; W244-I304 HydrophobicContact CB-CD1 4.01Å; W244-I304 HydrophobicContact CB-CG1 3.71Å; W244-I304 HydrophobicContact CD2-CD1 3.91Å; W244-I304 HydrophobicContact CD2-CG1 4.01Å; W244-I304 HydrophobicContact CD2-CG2 4.19Å; W244-I304 HydrophobicContact CE3-CD1 4.06Å; W244-I304 HydrophobicContact CG-CB 4.35Å; W244-I304 HydrophobicContact CG-CD1 3.91Å; W244-I304 HydrophobicContact CG-CG1 3.57Å; W244-I304 HydrophobicContact CG-CG2 4.35Å; W244-I304 HydrophobicContact CZ2-CG2 4.22Å; W244-A309 HydrophobicContact CH2-CB 3.7Å; W244-A309 HydrophobicContact CZ2-CB 3.75Å; W244-A309 HydrophobicContact CZ3-CB 4.5Å; W244-F335 HydrophobicContact CH2-CE2 4.14Å; W244-F335 AromaticContact CH2-CZ 3.86Å; W244-F335 HydrophobicContact CH2-CZ 3.86Å; W244-F335 HydrophobicContact CZ2-CE2 4.45Å; W244-F335 HydrophobicContact CZ2-CZ 4.49Å
245T92.5Very high95.4Very high10 Ų1026 Ų266%0.06112%0.124CC..Hα-helixtrans-73.4-25-178.161.90000112.2A241 E242 Y247 I249 L300A241-T245 PolarHBondContact O-N 3.36Å; A241-T245 VanDerWaalsContact O-N 3.1Å; A241-T245 PolarHBondContact O-OG1 3.03Å; E242-T245 WeakPolarHBondContact CA-OG1 3.14Å; T245-Y247 WeakPolarHBondContact O-CD1 3.46Å; T245-Y247 VanDerWaalsContact O-CE1 3.24Å; T245-Y247 WeakPolarHBondContact O-CE1 3.47Å; T245-Y247 PolarHBondContact O-N 3.09Å; T245-Y247 PolarHBondContact OG1-N 3.48Å; T245-Y247 PolarHBondContact OG1-O 3.32Å; T245-I249 HydrophobicContact CG2-CG2 3.85Å; T245-L300 HydrophobicContact CG2-CD2 4.34Å
246N91.2Very high95.2Very high64 Ų6429.9 Ų29.934%0.34215%0.145SC..SBendtrans60.917-170.9-57.5-74.6000114.3E242 W244 Y408E242-N246 WeakPolarHBondContact O-CA 3.2Å; E242-N246 PolarHBondContact O-N 3.46Å; W244-N246 VanDerWaalsContact C-N 3.3Å; W244-N246 PolarHBondContact O-N 3.39Å; W244-N246 PolarHBondContact O-ND2 3.43Å; N246-Y408 WeakPolarHBondContact O-CD2 2.96Å
247Y90.5Very high95Very high81 Ų8133.1 Ų33.132%0.31816%0.162SC..SBendtrans-151.9150.2173.760.3-94.4000110.7T245 I249T245-Y247 WeakPolarHBondContact O-CD1 3.46Å; T245-Y247 VanDerWaalsContact O-CE1 3.24Å; T245-Y247 WeakPolarHBondContact O-CE1 3.47Å; T245-Y247 PolarHBondContact O-N 3.09Å; T245-Y247 PolarHBondContact OG1-N 3.48Å; T245-Y247 PolarHBondContact OG1-O 3.32Å; Y247-I249 PolarHBondContact O-N 3.39Å
248P93.6Very high94.9Very high4 Ų433.1 Ų33.13%0.02616%0.162CC..  trans-57.6125.5177.8-24.934.4000111W214 M250 Q251 Y408W214-P248 HydrophobicContact CD2-CB 4.48Å; W214-P248 HydrophobicContact CE3-CB 3.82Å; W214-P248 HydrophobicContact CE3-CG 3.71Å; W214-P248 HydrophobicContact CZ3-CB 4.36Å; W214-P248 HydrophobicContact CZ3-CG 3.86Å; P248-M250 VanDerWaalsContact C-N 3.27Å; P248-M250 PolarHBondContact O-N 2.99Å; P248-Q251 HydrophobicContact CB-CG 3.93Å; P248-Q251 WeakPolarHBondContact O-CG 3.14Å; P248-Q251 PolarHBondContact O-NE2 3.34Å; P248-Y408 HydrophobicContact CG-CE2 4.5Å
249I94.9Very high94.8Very high37 Ų3733.1 Ų33.119%0.1916%0.162CC..SBendtrans-70.4-17.6-169.155.2163.3000114.7A241 T245 Y247 L265 L317A241-I249 HydrophobicContact CB-CD1 3.81Å; A241-I249 HydrophobicContact CB-CG1 4.39Å; A241-I249 HydrophobicContact CB-CG2 3.7Å; T245-I249 HydrophobicContact CG2-CG2 3.85Å; Y247-I249 PolarHBondContact O-N 3.39Å; I249-L265 HydrophobicContact CD1-CD2 3.98Å; I249-L317 HydrophobicContact CD1-CD1 3.77Å
250M95.9Very high94.7Very high4 Ų435.3 Ų35.32%0.0217%0.173CC..  trans-139.893.7-178.2-64.6174.5-68.900109.9W214 W234 C238 P248 Q258 L261 I262 L265W214-M250 WeakPolarHBondContact CA-O 3.42Å; W214-M250 WeakPolarHBondContact CB-O 3.28Å; W234-M250 HydrophobicContact CZ2-CE 3.76Å; W234-M250 HydrophobicContact CZ2-SD 4.42Å; C238-M250 VanDerWaalsContact SG-CE 3.51Å; P248-M250 VanDerWaalsContact C-N 3.27Å; P248-M250 PolarHBondContact O-N 2.99Å; M250-Q258 PolarHBondContact O-NE2 3.03Å; M250-Q258 VanDerWaalsContact O-NE2 3.12Å; M250-Q258 PolarHBondContact O-OE1 3.32Å; M250-L261 HydrophobicContact CB-CB 4.3Å; M250-L261 HydrophobicContact CG-CB 4.42Å; M250-I262 HydrophobicContact CE-CG1 4.35Å; M250-I262 HydrophobicContact SD-CB 4.25Å; M250-I262 HydrophobicContact SD-CG1 3.53Å; M250-I262 VanDerWaalsContact SD-CG1 3.53Å; M250-L265 HydrophobicContact CG-CD2 4.08Å; M250-L265 HydrophobicContact SD-CD2 3.9Å
251Q95.7Very high94.7Very high59 Ų5938.5 Ų38.528%0.27619%0.19SC..  trans-102.966.2-174.8-67.3171.448.400112.5W214 P248W214-Q251 HydrophobicContact CD2-CB 4.29Å; W214-Q251 HydrophobicContact CD2-CG 3.92Å; W214-Q251 HydrophobicContact CE3-CG 4.14Å; W214-Q251 HydrophobicContact CG-CG 4.45Å; W214-Q251 HydrophobicContact CH2-CG 4.17Å; W214-Q251 HydrophobicContact CZ2-CB 3.99Å; W214-Q251 HydrophobicContact CZ2-CG 3.95Å; W214-Q251 HydrophobicContact CZ3-CG 4.27Å; P248-Q251 HydrophobicContact CB-CG 3.93Å; P248-Q251 WeakPolarHBondContact O-CG 3.14Å; P248-Q251 PolarHBondContact O-NE2 3.34Å
252G94.5Very high94.7Very high2 Ų238.5 Ų38.52%0.02119%0.19CC..  trans-70.6144.7175.800000111.8L213 W214 Q258 L261L213-G252 VanDerWaalsContact CD2-O 3.29Å; L213-G252 WeakPolarHBondContact CD2-O 3.37Å; W214-G252 PolarHBondContact NE1-O 3Å; G252-Q258 VanDerWaalsContact CA-OE1 3.23Å; G252-L261 VanDerWaalsContact N-CD1 3.29Å
253E92.2Very high94.8Very high140 Ų14038.5 Ų38.565%0.65419%0.19SC*.SBendtrans-85.4-23.3177.1-56.1-177.6164.500112.4L257 Q415E253-L257 HydrophobicContact CB-CD1 4.11Å; E253-L257 HydrophobicContact CG-CD1 4.49Å; E253-Q415 PolarHBondContact O-NE2 3.05Å; E253-Q415 VanDerWaalsContact O-NE2 3.07Å
254N93.6Very high94.8Very high65 Ų6542.6 Ų42.635%0.34821%0.209SC..SBendtrans-147.7172.7176.561.357.5000110.8L256 L257 Q258N254-L256 VanDerWaalsContact C-N 3.3Å; N254-L256 PolarHBondContact O-N 2.92Å; N254-L256 PolarHBondContact OD1-N 2.8Å; N254-L257 WeakPolarHBondContact ND2-CD1 3.33Å; N254-L257 PolarHBondContact O-N 3.45Å; N254-L257 PolarHBondContact OD1-N 2.85Å; N254-Q258 WeakPolarHBondContact O-CB 3.11Å; N254-Q258 PolarHBondContact O-N 3.39Å
255E93.7Very high95Very high44 Ų4442 Ų4221%0.20621%0.208CC..Hα-helixtrans-58-39.7-175.4-60.4-170132.200112.8R209 L213 R216 L221 L259R209-E255 IonicContact CZ-OE2 3.87Å; R209-E255 IonicContact NE-OE1 3.29Å; R209-E255 IonicContact NE-OE2 2.71Å; R209-E255 PolarHBondContact NE-OE2 3.32Å; R209-E255 IonicContact NH2-OE2 3.34Å; R209-E255 PolarHBondContact NH2-OE2 3.39Å; L213-E255 HydrophobicContact CD1-CG 4.3Å; R216-E255 IonicContact CZ-OE1 3.91Å; R216-E255 IonicContact NH1-OE1 3.44Å; R216-E255 PolarHBondContact NH1-OE1 3.21Å; L221-E255 HydrophobicContact CD2-CB 3.8Å; L221-E255 HydrophobicContact CD2-CG 4.09Å; E255-L259 WeakPolarHBondContact O-CB 3.32Å; E255-L259 PolarHBondContact O-N 3.43Å
256L93.2Very high95.2Very high83 Ų8341.6 Ų41.644%0.43521%0.206SC..Hα-helixtrans-68.1-46.4179.1177.864.6000111.8N254 Q258 L259 N260 I286N254-L256 VanDerWaalsContact C-N 3.3Å; N254-L256 PolarHBondContact O-N 2.92Å; N254-L256 PolarHBondContact OD1-N 2.8Å; L256-Q258 VanDerWaalsContact C-N 3.34Å; L256-L259 PolarHBondContact O-N 3.24Å; L256-N260 PolarHBondContact O-N 2.86Å; L256-N260 PolarHBondContact O-ND2 3.11Å; L256-I286 HydrophobicContact CD1-CD1 3.57Å; L256-I286 HydrophobicContact CD1-CG1 4.25Å
257L95.2Very high95.6Very high69 Ų6938.8 Ų38.836%0.36119%0.192SC..Hα-helixtrans-66.6-37.1177.4-69.1179.6000111.7E253 N254 N260 L261E253-L257 HydrophobicContact CB-CD1 4.11Å; E253-L257 HydrophobicContact CG-CD1 4.49Å; N254-L257 WeakPolarHBondContact ND2-CD1 3.33Å; N254-L257 PolarHBondContact O-N 3.45Å; N254-L257 PolarHBondContact OD1-N 2.85Å; L257-N260 PolarHBondContact O-N 3.22Å; L257-L261 WeakPolarHBondContact O-CG 3.5Å; L257-L261 PolarHBondContact O-N 2.77Å
258Q96.6Very high95.9Very high0 Ų035.5 Ų35.50%018%0.18CC..Hα-helixtrans-60.6-47.4173-174.46726.900110.8L213 W214 L221 M250 G252 N254 L256 N260 L261 I262L213-Q258 HydrophobicContact CD1-CB 3.72Å; L213-Q258 HydrophobicContact CD1-CG 3.89Å; L213-Q258 HydrophobicContact CG-CB 4.11Å; L213-Q258 HydrophobicContact CG-CG 4.19Å; L213-Q258 VanDerWaalsContact O-CD 3.26Å; L213-Q258 WeakPolarHBondContact O-CG 3.43Å; L213-Q258 PolarHBondContact O-NE2 3.33Å; W214-Q258 PolarHBondContact O-NE2 3.33Å; L221-Q258 HydrophobicContact CD1-CB 4.25Å; L221-Q258 HydrophobicContact CD1-CG 3.77Å; L221-Q258 HydrophobicContact CD2-CB 4.34Å; L221-Q258 HydrophobicContact CD2-CG 4.37Å; M250-Q258 PolarHBondContact O-NE2 3.03Å; M250-Q258 VanDerWaalsContact O-NE2 3.12Å; M250-Q258 PolarHBondContact O-OE1 3.32Å; G252-Q258 VanDerWaalsContact CA-OE1 3.23Å; N254-Q258 WeakPolarHBondContact O-CB 3.11Å; N254-Q258 PolarHBondContact O-N 3.39Å; L256-Q258 VanDerWaalsContact C-N 3.34Å; Q258-N260 VanDerWaalsContact C-N 3.31Å; Q258-N260 PolarHBondContact O-N 2.63Å; Q258-L261 PolarHBondContact O-N 2.83Å; Q258-I262 HydrophobicContact CG-CD1 4.37Å; Q258-I262 WeakPolarHBondContact O-CG1 3.31Å; Q258-I262 PolarHBondContact O-N 3.37Å
259L96.2Very high96.1Very high3 Ų335.6 Ų35.62%0.01618%0.181CC..Hα-helixtrans-62.6-38.8178.4-169.458.9000112P218 L221 L222 E255 L256 I262 I263 I269 I286 L288P218-L259 HydrophobicContact CB-CD1 4.34Å; L221-L259 HydrophobicContact CB-CD1 4.2Å; L221-L259 HydrophobicContact CD1-CB 4.31Å; L221-L259 HydrophobicContact CD1-CD1 4.2Å; L222-L259 HydrophobicContact CD2-CD2 3.83Å; L222-L259 HydrophobicContact CG-CD2 4.47Å; E255-L259 WeakPolarHBondContact O-CB 3.32Å; E255-L259 PolarHBondContact O-N 3.43Å; L256-L259 PolarHBondContact O-N 3.24Å; L259-I262 WeakPolarHBondContact O-CB 3.42Å; L259-I262 PolarHBondContact O-N 3.16Å; L259-I263 HydrophobicContact CG-CD1 4.34Å; L259-I263 WeakPolarHBondContact O-CG1 3.45Å; L259-I263 PolarHBondContact O-N 3.38Å; L259-I269 HydrophobicContact CD1-CD1 3.62Å; L259-I286 HydrophobicContact CD2-CD1 4.27Å; L259-L288 HydrophobicContact CD2-CD1 4.27Å; L259-L288 HydrophobicContact CD2-CD2 3.41Å; L259-L288 VanDerWaalsContact CD2-CD2 3.41Å; L259-L288 HydrophobicContact CD2-CG 4.49Å; L259-L288 HydrophobicContact CG-CD2 3.99Å
260N96.3Very high96.1Very high45 Ų4535.4 Ų35.424%0.24118%0.181CC..Hα-helixtrans-62.2-43.9173.1-75.1-24.7000112.1L256 L257 Q258 I262 I263 Q264 P289L256-N260 PolarHBondContact O-N 2.86Å; L256-N260 PolarHBondContact O-ND2 3.11Å; L257-N260 PolarHBondContact O-N 3.22Å; Q258-N260 VanDerWaalsContact C-N 3.31Å; Q258-N260 PolarHBondContact O-N 2.63Å; N260-I262 VanDerWaalsContact C-N 3.32Å; N260-I262 PolarHBondContact O-N 3Å; N260-I263 PolarHBondContact O-N 3.49Å; N260-Q264 VanDerWaalsContact O-CG 3.26Å; N260-Q264 WeakPolarHBondContact O-CG 3.29Å; N260-Q264 PolarHBondContact O-N 3.17Å; N260-P289 WeakPolarHBondContact OD1-CD 3.41Å; N260-P289 WeakPolarHBondContact OD1-CG 3.48Å
261L97.3Very high96.1Very high68 Ų6837.1 Ų37.136%0.35619%0.193SC..Hα-helixtrans-62-40.5176-70.3172.8000111.9M250 G252 L257 Q258 I263 Q264 L265M250-L261 HydrophobicContact CB-CB 4.3Å; M250-L261 HydrophobicContact CG-CB 4.42Å; G252-L261 VanDerWaalsContact N-CD1 3.29Å; L257-L261 WeakPolarHBondContact O-CG 3.5Å; L257-L261 PolarHBondContact O-N 2.77Å; Q258-L261 PolarHBondContact O-N 2.83Å; L261-I263 VanDerWaalsContact C-N 3.34Å; L261-Q264 PolarHBondContact O-N 3.13Å; L261-L265 PolarHBondContact O-N 3.06Å
262I98.2Very high96.1Very high0 Ų041.3 Ų41.30%021%0.212CC..Hα-helixtrans-58.3-48.7173.2-69171.1000110P218 L221 W234 M250 Q258 L259 N260 Q264 L265 C266 L319P218-I262 HydrophobicContact CB-CG2 4.43Å; L221-I262 HydrophobicContact CD1-CD1 3.39Å; W234-I262 HydrophobicContact CH2-CG1 4.46Å; W234-I262 HydrophobicContact CH2-CG2 3.81Å; W234-I262 HydrophobicContact CZ2-CD1 3.89Å; W234-I262 HydrophobicContact CZ2-CG1 3.93Å; W234-I262 HydrophobicContact CZ2-CG2 4.14Å; M250-I262 HydrophobicContact CE-CG1 4.35Å; M250-I262 HydrophobicContact SD-CB 4.25Å; M250-I262 HydrophobicContact SD-CG1 3.53Å; M250-I262 VanDerWaalsContact SD-CG1 3.53Å; Q258-I262 HydrophobicContact CG-CD1 4.37Å; Q258-I262 WeakPolarHBondContact O-CG1 3.31Å; Q258-I262 PolarHBondContact O-N 3.37Å; L259-I262 WeakPolarHBondContact O-CB 3.42Å; L259-I262 PolarHBondContact O-N 3.16Å; N260-I262 VanDerWaalsContact C-N 3.32Å; N260-I262 PolarHBondContact O-N 3Å; I262-Q264 PolarHBondContact O-N 2.83Å; I262-L265 PolarHBondContact O-N 2.87Å; I262-L265 VanDerWaalsContact O-N 3.14Å; I262-C266 HydrophobicContact CG2-CB 4.26Å; I262-C266 VanDerWaalsContact O-CB 3.28Å; I262-C266 WeakPolarHBondContact O-CB 3.25Å; I262-C266 PolarHBondContact O-N 2.74Å; I262-L319 HydrophobicContact CG2-CD2 3.75Å
263I97.9Very high96.2Very high0 Ų044.3 Ų44.30%023%0.23CC..Hα-helixtrans-62.3-42.1-179.9-71.6165.3000111.7L259 N260 L261 L265 G267 I269 L288 P289 V292L259-I263 HydrophobicContact CG-CD1 4.34Å; L259-I263 WeakPolarHBondContact O-CG1 3.45Å; L259-I263 PolarHBondContact O-N 3.38Å; N260-I263 PolarHBondContact O-N 3.49Å; L261-I263 VanDerWaalsContact C-N 3.34Å; I263-L265 PolarHBondContact O-N 2.73Å; I263-G267 WeakPolarHBondContact CA-O 3.19Å; I263-G267 CarbonylContact O-C 3.49Å; I263-G267 VanDerWaalsContact O-CA 3.28Å; I263-G267 WeakPolarHBondContact O-CA 3.44Å; I263-G267 PolarHBondContact O-N 3.33Å; I263-I269 HydrophobicContact CD1-CD1 4.32Å; I263-I269 HydrophobicContact CD1-CG1 4.48Å; I263-I269 HydrophobicContact CG1-CD1 4.15Å; I263-I269 HydrophobicContact CG1-CG1 4.09Å; I263-L288 HydrophobicContact CD1-CB 3.98Å; I263-L288 HydrophobicContact CD1-CD1 4.32Å; I263-L288 HydrophobicContact CD1-CD2 4.06Å; I263-L288 HydrophobicContact CD1-CG 4.34Å; I263-P289 HydrophobicContact CG2-CB 4.04Å; I263-P289 HydrophobicContact CG2-CG 4.45Å; I263-V292 HydrophobicContact CG2-CB 3.92Å; I263-V292 HydrophobicContact CG2-CG1 4.23Å; I263-V292 HydrophobicContact CG2-CG2 3.9Å; I263-V292 WeakPolarHBondContact O-CG1 3.39Å
264Q97.5Very high96.4Very high88 Ų8837.7 Ų37.741%0.41120%0.199SC..Hα-helixtrans-66.2-13.8177.4-68.6-61.2-35.400114.5N260 L261 I262 K299N260-Q264 VanDerWaalsContact O-CG 3.26Å; N260-Q264 WeakPolarHBondContact O-CG 3.29Å; N260-Q264 PolarHBondContact O-N 3.17Å; L261-Q264 PolarHBondContact O-N 3.13Å; I262-Q264 PolarHBondContact O-N 2.83Å; Q264-K299 PolarHBondContact O-NZ 2.65Å
265L97.6Very high96.5Very high15 Ų1537.6 Ų37.68%0.07920%0.202CC..Hα-helixtrans-107.8-50.7177.5179.361.7000111.5I249 M250 L261 I262 I263 H295 V296 K299I249-L265 HydrophobicContact CD1-CD2 3.98Å; M250-L265 HydrophobicContact CG-CD2 4.08Å; M250-L265 HydrophobicContact SD-CD2 3.9Å; L261-L265 PolarHBondContact O-N 3.06Å; I262-L265 PolarHBondContact O-N 2.87Å; I262-L265 VanDerWaalsContact O-N 3.14Å; I263-L265 PolarHBondContact O-N 2.73Å; L265-H295 CarbonylContact O-C 3.56Å; L265-H295 PolarHBondContact O-N 3.49Å; L265-V296 HydrophobicContact CD1-CG2 4.26Å; L265-V296 HydrophobicContact CG-CG2 4.04Å; L265-V296 WeakPolarHBondContact O-CG2 3.49Å; L265-V296 PolarHBondContact O-N 2.96Å; L265-K299 HydrophobicContact CD1-CB 4.29Å; L265-K299 HydrophobicContact CD1-CD 3.64Å
266C98.3Very high96.6Very high3 Ų338.5 Ų38.52%0.0221%0.211CC..Hα-helixtrans-93.4-9-170.3-63.90000114.1I262 R294 L319I262-C266 HydrophobicContact CG2-CB 4.26Å; I262-C266 VanDerWaalsContact O-CB 3.28Å; I262-C266 WeakPolarHBondContact O-CB 3.25Å; I262-C266 PolarHBondContact O-N 2.74Å; C266-R294 WeakPolarHBondContact O-CB 3.3Å; C266-R294 WeakPolarHBondContact O-CG 3.48Å; C266-R294 PolarHBondContact O-NH1 3.03Å; C266-L319 HydrophobicContact CB-CD1 4.44Å; C266-L319 HydrophobicContact CB-CD2 3.65Å; C266-L319 HydrophobicContact CB-CG 3.99Å
267G97.8Very high96.7Very high5 Ų534.6 Ų34.65%0.05219%0.19CC..  trans97.2165.4-175.800000113.1I263 V292I263-G267 WeakPolarHBondContact CA-O 3.19Å; I263-G267 CarbonylContact O-C 3.49Å; I263-G267 VanDerWaalsContact O-CA 3.28Å; I263-G267 WeakPolarHBondContact O-CA 3.44Å; I263-G267 PolarHBondContact O-N 3.33Å; G267-V292 CarbonylContact C-O 3.54Å; G267-V292 WeakPolarHBondContact CA-O 3.46Å
268S97.7Very high96.7Very high11 Ų1136.2 Ų36.28%0.07720%0.196CC..  trans-58.6138175.9-75.70000111.8T270 V273 P289 K290 D291 V292S268-T270 PolarHBondContact O-N 2.97Å; S268-V273 WeakPolarHBondContact O-CG2 3.34Å; S268-P289 PolarHBondContact OG-O 3.11Å; S268-K290 WeakPolarHBondContact OG-CA 3.47Å; S268-D291 PolarHBondContact OG-N 3Å; S268-V292 PolarHBondContact N-O 3.42Å; S268-V292 WeakPolarHBondContact OG-CB 3.33Å; S268-V292 PolarHBondContact OG-N 2.96Å
269I97.2Very high96.6Very high6 Ų641.8 Ų41.83%0.03123%0.225CC..  trans-80.7109.9172.8-63.5171.4000107.7P218 L222 L259 I263 W274 V277 Y283 L288 L319P218-I269 HydrophobicContact CB-CD1 4.05Å; L222-I269 HydrophobicContact CD1-CD1 4.19Å; L222-I269 HydrophobicContact CD1-CG2 4.25Å; L259-I269 HydrophobicContact CD1-CD1 3.62Å; I263-I269 HydrophobicContact CD1-CD1 4.32Å; I263-I269 HydrophobicContact CD1-CG1 4.48Å; I263-I269 HydrophobicContact CG1-CD1 4.15Å; I263-I269 HydrophobicContact CG1-CG1 4.09Å; I269-W274 HydrophobicContact CG2-CE3 3.97Å; I269-W274 HydrophobicContact CG2-CZ3 4.35Å; I269-V277 HydrophobicContact CG2-CB 4.35Å; I269-V277 HydrophobicContact CG2-CG1 4.3Å; I269-V277 HydrophobicContact CG2-CG2 3.61Å; I269-Y283 HydrophobicContact CG2-CD2 4.23Å; I269-Y283 HydrophobicContact CG2-CE2 4.07Å; I269-Y283 WeakPolarHBondContact O-CE2 3.49Å; I269-L288 HydrophobicContact CB-CD1 4.35Å; I269-L288 HydrophobicContact CD1-CD1 4.45Å; I269-L319 HydrophobicContact CG1-CD1 4.04Å; I269-L319 HydrophobicContact CG1-CD2 4.15Å
270T96Very high96.5Very high34 Ų3442.6 Ų42.621%0.20923%0.23CC..  trans-137.8159.2-179.976.70000110.9S268 E272 V273 W274S268-T270 PolarHBondContact O-N 2.97Å; T270-E272 WeakPolarHBondContact CB-OE2 3.36Å; T270-E272 PolarHBondContact O-N 3.29Å; T270-E272 PolarHBondContact OG1-N 2.96Å; T270-E272 PolarHBondContact OG1-OE2 3.32Å; T270-V273 VanDerWaalsContact O-CG2 3.25Å; T270-V273 WeakPolarHBondContact O-CG2 3.22Å; T270-V273 PolarHBondContact O-N 3.17Å; T270-W274 PolarHBondContact O-N 3.36Å
271P95.7Very high96.3Very high39 Ų3946.2 Ų46.225%0.25325%0.245SC..THydrogen-bonded Turntrans-59.4-24.4176.7-24.636.6000113.8W274 P275 V277 Q278P271-W274 CarbonylContact O-C 3.54Å; P271-P275 WeakPolarHBondContact O-CA 3.17Å; P271-V277 HydrophobicContact CG-CG1 4.42Å; P271-Q278 HydrophobicContact CG-CB 4.43Å
272E95.5Very high96.1Very high147 Ų14744.9 Ų44.969%0.68724%0.24SC*.THydrogen-bonded Turntrans-67-42.6176.8-60.673.3-158.300111.8T270T270-E272 WeakPolarHBondContact CB-OE2 3.36Å; T270-E272 PolarHBondContact O-N 3.29Å; T270-E272 PolarHBondContact OG1-N 2.96Å; T270-E272 PolarHBondContact OG1-OE2 3.32Å
273V96.3Very high95.9Very high65 Ų6547.3 Ų47.339%0.39425%0.249SC..THydrogen-bonded Turntrans-83.6-35179-63.70000112.1S268 T270 L319 K323S268-V273 WeakPolarHBondContact O-CG2 3.34Å; T270-V273 VanDerWaalsContact O-CG2 3.25Å; T270-V273 WeakPolarHBondContact O-CG2 3.22Å; T270-V273 PolarHBondContact O-N 3.17Å; V273-L319 HydrophobicContact CG2-CD1 4.22Å; V273-K323 PolarHBondContact O-NZ 3.28Å
274W97.1Very high95.6Very high2 Ų254 Ų541%0.00828%0.281CS..  trans-134.987-178.1-178.41.2000110.5P218 E219 L222 I269 T270 P271 T276 V277 L280 L319 D320 P321P218-W274 HydrophobicContact CB-CZ3 4.08Å; P218-W274 HydrophobicContact CG-CZ3 4.27Å; E219-W274 HydrophobicContact CB-CH2 3.65Å; E219-W274 HydrophobicContact CB-CZ2 3.95Å; L222-W274 HydrophobicContact CD1-CH2 4.01Å; L222-W274 HydrophobicContact CD1-CZ3 3.79Å; I269-W274 HydrophobicContact CG2-CE3 3.97Å; I269-W274 HydrophobicContact CG2-CZ3 4.35Å; T270-W274 PolarHBondContact O-N 3.36Å; P271-W274 CarbonylContact O-C 3.54Å; W274-T276 VanDerWaalsContact C-N 3.3Å; W274-T276 PolarHBondContact NE1-OG1 3.03Å; W274-T276 PolarHBondContact O-N 3.34Å; W274-T276 VanDerWaalsContact O-N 3.17Å; W274-V277 HydrophobicContact CB-CB 4.18Å; W274-V277 HydrophobicContact CB-CG1 4.48Å; W274-V277 HydrophobicContact CD2-CB 3.72Å; W274-V277 HydrophobicContact CD2-CG2 3.93Å; W274-V277 HydrophobicContact CE3-CB 4.1Å; W274-V277 HydrophobicContact CE3-CG2 3.84Å; W274-V277 HydrophobicContact CG-CB 3.77Å; W274-V277 HydrophobicContact CG-CG2 4.48Å; W274-V277 HydrophobicContact CH2-CG2 4.31Å; W274-V277 HydrophobicContact CZ2-CG2 4.45Å; W274-V277 HydrophobicContact CZ3-CG2 4.03Å; W274-V277 VanDerWaalsContact O-CB 3.32Å; W274-V277 WeakPolarHBondContact O-CB 3.43Å; W274-V277 WeakPolarHBondContact O-CG1 3.11Å; W274-V277 PolarHBondContact O-N 3.46Å; W274-L280 HydrophobicContact CH2-CD1 3.97Å; W274-L280 HydrophobicContact CZ2-CD1 3.9Å; W274-L319 HydrophobicContact CE3-CB 4.47Å; W274-D320 HydrophobicContact CB-CB 3.97Å; W274-D320 HydrophobicContact CG-CB 3.9Å; W274-P321 HydrophobicContact CZ2-CG 4.34Å
275P96.3Very high95.4Very high63 Ų6356.9 Ų56.941%0.40929%0.292SS..G310 helixtrans-56-37.2-171.5-29.536.7000115.4P271 V277P271-P275 WeakPolarHBondContact O-CA 3.17Å; P275-V277 VanDerWaalsContact C-N 3.29Å; P275-V277 PolarHBondContact O-N 3.4Å
276T94.9Very high95.1Very high63 Ų6358.5 Ų58.539%0.38730%0.3SS..G310 helixtrans-81.8-4.5-177.5570000113.7W274 Q278 N279W274-T276 VanDerWaalsContact C-N 3.3Å; W274-T276 PolarHBondContact NE1-OG1 3.03Å; W274-T276 PolarHBondContact O-N 3.34Å; W274-T276 VanDerWaalsContact O-N 3.17Å; T276-Q278 PolarHBondContact O-N 2.96Å; T276-N279 WeakPolarHBondContact O-CB 3.3Å; T276-N279 PolarHBondContact O-N 3.33Å; T276-N279 VanDerWaalsContact O-N 3.07Å
277V96.2Very high94.8Very high0 Ų068.1 Ų68.10%034%0.342CS..G310 helixtrans-63.4-30.2-178.579.80000112.8L222 I269 P271 W274 P275 N279 L280 Y283L222-V277 HydrophobicContact CD1-CG2 3.75Å; I269-V277 HydrophobicContact CG2-CB 4.35Å; I269-V277 HydrophobicContact CG2-CG1 4.3Å; I269-V277 HydrophobicContact CG2-CG2 3.61Å; P271-V277 HydrophobicContact CG-CG1 4.42Å; W274-V277 HydrophobicContact CB-CB 4.18Å; W274-V277 HydrophobicContact CB-CG1 4.48Å; W274-V277 HydrophobicContact CD2-CB 3.72Å; W274-V277 HydrophobicContact CD2-CG2 3.93Å; W274-V277 HydrophobicContact CE3-CB 4.1Å; W274-V277 HydrophobicContact CE3-CG2 3.84Å; W274-V277 HydrophobicContact CG-CB 3.77Å; W274-V277 HydrophobicContact CG-CG2 4.48Å; W274-V277 HydrophobicContact CH2-CG2 4.31Å; W274-V277 HydrophobicContact CZ2-CG2 4.45Å; W274-V277 HydrophobicContact CZ3-CG2 4.03Å; W274-V277 VanDerWaalsContact O-CB 3.32Å; W274-V277 WeakPolarHBondContact O-CB 3.43Å; W274-V277 WeakPolarHBondContact O-CG1 3.11Å; W274-V277 PolarHBondContact O-N 3.46Å; P275-V277 VanDerWaalsContact C-N 3.29Å; P275-V277 PolarHBondContact O-N 3.4Å; V277-N279 PolarHBondContact O-N 3.01Å; V277-N279 VanDerWaalsContact O-N 3.12Å; V277-L280 HydrophobicContact CG2-CD1 4.15Å; V277-L280 WeakPolarHBondContact O-CB 3.29Å; V277-L280 PolarHBondContact O-N 3.33Å; V277-Y283 HydrophobicContact CG1-CD1 4.26Å; V277-Y283 HydrophobicContact CG1-CD2 4.4Å; V277-Y283 HydrophobicContact CG1-CE1 4.04Å; V277-Y283 HydrophobicContact CG1-CE2 4.18Å; V277-Y283 HydrophobicContact CG1-CG 4.45Å; V277-Y283 HydrophobicContact CG2-CD1 4.4Å; V277-Y283 HydrophobicContact CG2-CD2 3.79Å; V277-Y283 HydrophobicContact CG2-CE2 4.31Å; V277-Y283 HydrophobicContact CG2-CG 3.85Å; V277-Y283 WeakPolarHBondContact O-CD1 3.38Å
278Q94.6Very high94.5Very high103 Ų10368.9 Ų68.948%0.48134%0.344SS..G310 helixtrans-61.6-20.6177.470-173.212.800112.9P271 T276 L280 Q284P271-Q278 HydrophobicContact CG-CB 4.43Å; T276-Q278 PolarHBondContact O-N 2.96Å; Q278-L280 VanDerWaalsContact C-N 3.32Å; Q278-Q284 PolarHBondContact O-NE2 2.8Å
279N94.1Very high94.3Very high117 Ų11770.3 Ų70.363%0.62635%0.354SS*.G310 helixtrans-82.1-12178.2-58.4-18.7000112.4T276 V277 E281T276-N279 WeakPolarHBondContact O-CB 3.3Å; T276-N279 PolarHBondContact O-N 3.33Å; T276-N279 VanDerWaalsContact O-N 3.07Å; V277-N279 PolarHBondContact O-N 3.01Å; V277-N279 VanDerWaalsContact O-N 3.12Å; N279-E281 PolarHBondContact O-N 2.78Å
280L94.3Very high94.1Very high21 Ų2177.9 Ų77.911%0.1139%0.386CS..  trans-81.9118.3179.7-58-177.7000110.2L222 D224 W274 V277 Q278 T282 Y283 Q284L222-L280 HydrophobicContact CB-CD1 3.71Å; L222-L280 HydrophobicContact CD1-CD1 4.12Å; D224-L280 HydrophobicContact CB-CD1 4.38Å; D224-L280 HydrophobicContact CB-CD2 3.82Å; W274-L280 HydrophobicContact CH2-CD1 3.97Å; W274-L280 HydrophobicContact CZ2-CD1 3.9Å; V277-L280 HydrophobicContact CG2-CD1 4.15Å; V277-L280 WeakPolarHBondContact O-CB 3.29Å; V277-L280 PolarHBondContact O-N 3.33Å; Q278-L280 VanDerWaalsContact C-N 3.32Å; L280-T282 PolarHBondContact O-N 3.38Å; L280-Y283 WeakPolarHBondContact O-CB 3.43Å; L280-Y283 PolarHBondContact O-N 2.77Å; L280-Q284 PolarHBondContact O-N 2.99Å
281E92.2Very high93.9Very high121 Ų12184 Ų8457%0.56542%0.417SS*.Hα-helixtrans-55.5-39.9-179.3-175.1-178.3-175.500112.4N279 Y283 Q284 K285N279-E281 PolarHBondContact O-N 2.78Å; E281-Y283 VanDerWaalsContact C-N 3.34Å; E281-Y283 PolarHBondContact O-N 2.87Å; E281-Q284 PolarHBondContact O-N 2.99Å; E281-K285 HydrophobicContact CG-CD 4.27Å; E281-K285 WeakPolarHBondContact O-CG 3.42Å; E281-K285 PolarHBondContact O-N 2.84Å; E281-K285 VanDerWaalsContact OE1-CE 3.29Å; E281-K285 WeakPolarHBondContact OE1-CE 3.3Å; E281-K285 IonicContact OE1-NZ 3.52Å; E281-K285 PolarHBondContact OE1-NZ 3.15Å
282T92.1Very high94Very high40 Ų4083.4 Ų83.425%0.24541%0.413CS..Hα-helixtrans-60.8-43.7177.4-46.80000111.6L222 N223 L280 Q284 K285 I286L222-T282 HydrophobicContact CD2-CG2 4.37Å; L222-T282 WeakPolarHBondContact O-CB 3.33Å; L222-T282 PolarHBondContact O-OG1 2.7Å; N223-T282 WeakPolarHBondContact CB-OG1 3.29Å; L280-T282 PolarHBondContact O-N 3.38Å; T282-Q284 VanDerWaalsContact C-N 3.28Å; T282-Q284 PolarHBondContact O-N 3.38Å; T282-K285 PolarHBondContact O-N 3.41Å; T282-K285 VanDerWaalsContact O-N 3.07Å; T282-I286 WeakPolarHBondContact O-CG2 3.32Å; T282-I286 PolarHBondContact O-N 3.14Å
283Y94.5Very high94.1Very high50 Ų5084 Ų8420%0.19641%0.414CS..Hα-helixtrans-60.4-39.1-179.8172.8-99.9000111.6I269 V277 L280 E281 K285 L288I269-Y283 HydrophobicContact CG2-CD2 4.23Å; I269-Y283 HydrophobicContact CG2-CE2 4.07Å; I269-Y283 WeakPolarHBondContact O-CE2 3.49Å; V277-Y283 HydrophobicContact CG1-CD1 4.26Å; V277-Y283 HydrophobicContact CG1-CD2 4.4Å; V277-Y283 HydrophobicContact CG1-CE1 4.04Å; V277-Y283 HydrophobicContact CG1-CE2 4.18Å; V277-Y283 HydrophobicContact CG1-CG 4.45Å; V277-Y283 HydrophobicContact CG2-CD1 4.4Å; V277-Y283 HydrophobicContact CG2-CD2 3.79Å; V277-Y283 HydrophobicContact CG2-CE2 4.31Å; V277-Y283 HydrophobicContact CG2-CG 3.85Å; V277-Y283 WeakPolarHBondContact O-CD1 3.38Å; L280-Y283 WeakPolarHBondContact O-CB 3.43Å; L280-Y283 PolarHBondContact O-N 2.77Å; E281-Y283 VanDerWaalsContact C-N 3.34Å; E281-Y283 PolarHBondContact O-N 2.87Å; Y283-K285 VanDerWaalsContact C-N 3.28Å; Y283-K285 PolarHBondContact O-N 2.73Å; Y283-L288 HydrophobicContact CD2-CD1 3.87Å; Y283-L288 HydrophobicContact CE2-CD1 4.12Å
284Q92.6Very high94.1Very high140 Ų14084.9 Ų84.965%0.65441%0.41SS*.Hα-helixtrans-67.6-28177.2-60.9178.610.400112.9Q278 L280 E281 T282Q278-Q284 PolarHBondContact O-NE2 2.8Å; L280-Q284 PolarHBondContact O-N 2.99Å; E281-Q284 PolarHBondContact O-N 2.99Å; T282-Q284 VanDerWaalsContact C-N 3.28Å; T282-Q284 PolarHBondContact O-N 3.38Å
285K92.8Very high94.1Very high149 Ų14987.2 Ų87.265%0.64842%0.421SS*.Hα-helixtrans-90.6-31.1-177-67.8177.3-177.11780113.7E281 T282 Y283E281-K285 HydrophobicContact CG-CD 4.27Å; E281-K285 WeakPolarHBondContact O-CG 3.42Å; E281-K285 PolarHBondContact O-N 2.84Å; E281-K285 VanDerWaalsContact OE1-CE 3.29Å; E281-K285 WeakPolarHBondContact OE1-CE 3.3Å; E281-K285 IonicContact OE1-NZ 3.52Å; E281-K285 PolarHBondContact OE1-NZ 3.15Å; T282-K285 PolarHBondContact O-N 3.41Å; T282-K285 VanDerWaalsContact O-N 3.07Å; Y283-K285 VanDerWaalsContact C-N 3.28Å; Y283-K285 PolarHBondContact O-N 2.73Å
286I91.2Very high94.1Very high50 Ų5084.2 Ų84.226%0.25640%0.401SS..SBendtrans-89139.2-174.7-168.7163.3000112.1L222 L256 L259 T282 L288L222-I286 HydrophobicContact CD2-CG2 4.29Å; L256-I286 HydrophobicContact CD1-CD1 3.57Å; L256-I286 HydrophobicContact CD1-CG1 4.25Å; L259-I286 HydrophobicContact CD2-CD1 4.27Å; T282-I286 WeakPolarHBondContact O-CG2 3.32Å; T282-I286 PolarHBondContact O-N 3.14Å; I286-L288 HydrophobicContact CD1-CD2 3.9Å; I286-L288 HydrophobicContact CG1-CD2 3.88Å; I286-L288 HydrophobicContact CG1-CG 4.41Å; I286-L288 HydrophobicContact CG2-CD1 4.08Å; I286-L288 HydrophobicContact CG2-CD2 3.9Å; I286-L288 HydrophobicContact CG2-CG 3.74Å; I286-L288 PolarHBondContact O-N 3.21Å
287K91.3Very high94.2Very high205 Ų20585.2 Ų85.289%0.89140%0.4SS*.  trans-88.2101.4171-68.1-176.8-1801790109.4
288L92.3Very high94.2Very high20 Ų2091.5 Ų91.511%0.10543%0.43CS..PPolyproline II helixtrans-93148.2177.7-61.9178.7000112.2L222 L259 I263 I269 Y283 I286 K290L222-L288 HydrophobicContact CD2-CD1 4.28Å; L259-L288 HydrophobicContact CD2-CD1 4.27Å; L259-L288 HydrophobicContact CD2-CD2 3.41Å; L259-L288 VanDerWaalsContact CD2-CD2 3.41Å; L259-L288 HydrophobicContact CD2-CG 4.49Å; L259-L288 HydrophobicContact CG-CD2 3.99Å; I263-L288 HydrophobicContact CD1-CB 3.98Å; I263-L288 HydrophobicContact CD1-CD1 4.32Å; I263-L288 HydrophobicContact CD1-CD2 4.06Å; I263-L288 HydrophobicContact CD1-CG 4.34Å; I269-L288 HydrophobicContact CB-CD1 4.35Å; I269-L288 HydrophobicContact CD1-CD1 4.45Å; Y283-L288 HydrophobicContact CD2-CD1 3.87Å; Y283-L288 HydrophobicContact CE2-CD1 4.12Å; I286-L288 HydrophobicContact CD1-CD2 3.9Å; I286-L288 HydrophobicContact CG1-CD2 3.88Å; I286-L288 HydrophobicContact CG1-CG 4.41Å; I286-L288 HydrophobicContact CG2-CD1 4.08Å; I286-L288 HydrophobicContact CG2-CD2 3.9Å; I286-L288 HydrophobicContact CG2-CG 3.74Å; I286-L288 PolarHBondContact O-N 3.21Å; L288-K290 PolarHBondContact O-N 2.89Å
289P93.4Very high94.2Very high42 Ų4291.4 Ų91.427%0.27343%0.428SS..PPolyproline II helixtrans-55.7127.2171.5-23.732.1000111.9N260 I263 S268 V292N260-P289 WeakPolarHBondContact OD1-CD 3.41Å; N260-P289 WeakPolarHBondContact OD1-CG 3.48Å; I263-P289 HydrophobicContact CG2-CB 4.04Å; I263-P289 HydrophobicContact CG2-CG 4.45Å; S268-P289 PolarHBondContact OG-O 3.11Å; P289-V292 HydrophobicContact CB-CG2 4.06Å
290K92Very high94.2Very high165 Ų16586.2 Ų86.272%0.71740%0.4SS*.PPolyproline II helixtrans-100.5164177.5-60.5-174.2179.7-175.30110.3S268 L288 V292S268-K290 WeakPolarHBondContact OG-CA 3.47Å; L288-K290 PolarHBondContact O-N 2.89Å; K290-V292 PolarHBondContact O-N 3.15Å; K290-V292 VanDerWaalsContact O-N 3.15Å
291D93.8Very high94.3Very high161 Ų16189.1 Ų89.186%0.86142%0.419SS*.SBendtrans59.724173.9-48.7-49.3000115.1S268S268-D291 PolarHBondContact OG-N 3Å
292V96.8Very high94.4Very high27 Ų2788.6 Ų88.616%0.16443%0.426CS..PPolyproline II helixtrans-88.7122.2173.9-174.80000109.2I263 G267 S268 P289 K290I263-V292 HydrophobicContact CG2-CB 3.92Å; I263-V292 HydrophobicContact CG2-CG1 4.23Å; I263-V292 HydrophobicContact CG2-CG2 3.9Å; I263-V292 WeakPolarHBondContact O-CG1 3.39Å; G267-V292 CarbonylContact C-O 3.54Å; G267-V292 WeakPolarHBondContact CA-O 3.46Å; S268-V292 PolarHBondContact N-O 3.42Å; S268-V292 WeakPolarHBondContact OG-CB 3.33Å; S268-V292 PolarHBondContact OG-N 2.96Å; P289-V292 HydrophobicContact CB-CG2 4.06Å; K290-V292 PolarHBondContact O-N 3.15Å; K290-V292 VanDerWaalsContact O-N 3.15Å
293K96.6Very high94.3Very high161 Ų16190.7 Ų90.770%0.743%0.433SS*.PPolyproline II helixtrans-73.8156.7176.7-66.6-176.3179.9-179.40111H295K293-H295 PolarHBondContact O-CD2 3.48Å; K293-H295 PolarHBondContact O-NE2 3.14Å
294R97.6Very high94.3Very high82 Ų8288.5 Ų88.531%0.30942%0.424SS..PPolyproline II helixtrans-75.8124172.9-179.1172.8-175.684.8-2.7109.7C266 V296 D314 L317C266-R294 WeakPolarHBondContact O-CB 3.3Å; C266-R294 WeakPolarHBondContact O-CG 3.48Å; C266-R294 PolarHBondContact O-NH1 3.03Å; R294-V296 HydrophobicContact CG-CG2 4.23Å; R294-D314 IonicContact CZ-OD1 2.73Å; R294-D314 IonicContact NE-OD1 3.77Å; R294-D314 PolarHBondContact NE-OD1 3.46Å; R294-D314 PolarHBondContact NH2-O 2.91Å; R294-D314 IonicContact NH2-OD1 3.56Å; R294-D314 PolarHBondContact NH2-OD1 2.86Å; R294-L317 PolarHBondContact NH1-O 3.14Å; R294-L317 PolarHBondContact NH2-O 3.19Å
295H96.8Very high94.3Very high51 Ų5187.4 Ų87.424%0.23643%0.432CS..  trans-118.911.2-173.8-64.9-65.1000113.7L265 K293 K297 E298 K299L265-H295 CarbonylContact O-C 3.56Å; L265-H295 PolarHBondContact O-N 3.49Å; K293-H295 PolarHBondContact O-CD2 3.48Å; K293-H295 PolarHBondContact O-NE2 3.14Å; H295-K297 PolarHBondContact O-N 2.79Å; H295-E298 IonicContact CE1-OE2 3.85Å; H295-E298 IonicContact CG-OE2 3.64Å; H295-E298 IonicContact ND1-OE2 2.77Å; H295-E298 PolarHBondContact ND1-OE2 2.83Å; H295-E298 PolarHBondContact O-N 2.91Å; H295-K299 HydrophobicContact CB-CD 4.27Å; H295-K299 HydrophobicContact CB-CG 4.35Å; H295-K299 WeakPolarHBondContact O-CB 3.2Å; H295-K299 PolarHBondContact O-N 3.33Å
296V96.7Very high94.4Very high0 Ų080.7 Ų80.70%040%0.404CS..Hα-helixtrans-54.4-56.9-175.6178.70000111.7L265 R294 K299 L300 I313 D314L265-V296 HydrophobicContact CD1-CG2 4.26Å; L265-V296 HydrophobicContact CG-CG2 4.04Å; L265-V296 WeakPolarHBondContact O-CG2 3.49Å; L265-V296 PolarHBondContact O-N 2.96Å; R294-V296 HydrophobicContact CG-CG2 4.23Å; V296-K299 PolarHBondContact O-N 3.49Å; V296-L300 HydrophobicContact CG1-CD1 3.82Å; V296-L300 WeakPolarHBondContact O-CB 3.23Å; V296-L300 WeakPolarHBondContact O-CG 3.38Å; V296-L300 PolarHBondContact O-N 3.32Å; V296-L300 VanDerWaalsContact O-N 3.12Å; V296-I313 HydrophobicContact CG1-CG2 4.35Å; V296-D314 HydrophobicContact CG1-CB 4.22Å
297K96.9Very high94.6Very high84 Ų8483.2 Ų83.237%0.36542%0.424SS..Hα-helixtrans-61.6-47.7179.4-61.6-166.4170.3-176.50111.3H295 K299 L300 T301 V310 D311 D314H295-K297 PolarHBondContact O-N 2.79Å; K297-K299 VanDerWaalsContact C-N 3.32Å; K297-K299 PolarHBondContact O-N 3.33Å; K297-L300 PolarHBondContact O-N 3.24Å; K297-T301 WeakPolarHBondContact O-CB 3.42Å; K297-T301 PolarHBondContact O-N 2.78Å; K297-T301 PolarHBondContact O-OG1 2.91Å; K297-V310 HydrophobicContact CB-CG1 4.02Å; K297-V310 HydrophobicContact CG-CG1 3.94Å; K297-D311 IonicContact NZ-OD1 2.74Å; K297-D311 PolarHBondContact NZ-OD1 2.85Å; K297-D314 WeakPolarHBondContact CE-OD2 3.4Å; K297-D314 HydrophobicContact CG-CB 4.11Å; K297-D314 IonicContact NZ-OD2 3.15Å
298E95.7Very high95Very high132 Ų13274 Ų7462%0.61739%0.385SS*.Hα-helixtrans-58-39.8-179-63.1177.4174.500113.2H295 P302H295-E298 IonicContact CE1-OE2 3.85Å; H295-E298 IonicContact CG-OE2 3.64Å; H295-E298 IonicContact ND1-OE2 2.77Å; H295-E298 PolarHBondContact ND1-OE2 2.83Å; H295-E298 PolarHBondContact O-N 2.91Å; E298-P302 VanDerWaalsContact O-CD 3.24Å; E298-P302 WeakPolarHBondContact O-CD 3.42Å
299K94.7Very high95.2Very high102 Ų10273 Ų7344%0.44338%0.38SS..Hα-helixtrans-78.1-29.9179.3-78.1179.5170.9172.30113.8Q264 L265 H295 V296 K297 Q303Q264-K299 PolarHBondContact O-NZ 2.65Å; L265-K299 HydrophobicContact CD1-CB 4.29Å; L265-K299 HydrophobicContact CD1-CD 3.64Å; H295-K299 HydrophobicContact CB-CD 4.27Å; H295-K299 HydrophobicContact CB-CG 4.35Å; H295-K299 WeakPolarHBondContact O-CB 3.2Å; H295-K299 PolarHBondContact O-N 3.33Å; V296-K299 PolarHBondContact O-N 3.49Å; K297-K299 VanDerWaalsContact C-N 3.32Å; K297-K299 PolarHBondContact O-N 3.33Å; K299-Q303 PolarHBondContact O-NE2 2.75Å
300L94.9Very high95.5Very high7 Ų771.3 Ų71.34%0.03737%0.368CS..Hα-helixtrans-93.2-33.8-174.7-66.9178.6000113.5T245 V296 K297 P302 Q303 I304 V310 I313T245-L300 HydrophobicContact CG2-CD2 4.34Å; V296-L300 HydrophobicContact CG1-CD1 3.82Å; V296-L300 WeakPolarHBondContact O-CB 3.23Å; V296-L300 WeakPolarHBondContact O-CG 3.38Å; V296-L300 PolarHBondContact O-N 3.32Å; V296-L300 VanDerWaalsContact O-N 3.12Å; K297-L300 PolarHBondContact O-N 3.24Å; L300-P302 VanDerWaalsContact C-CD 3.42Å; L300-P302 VanDerWaalsContact C-N 3.31Å; L300-Q303 PolarHBondContact O-N 2.69Å; L300-I304 HydrophobicContact CB-CD1 4.04Å; L300-I304 HydrophobicContact CB-CG1 4.43Å; L300-I304 HydrophobicContact CD2-CD1 4.37Å; L300-I304 WeakPolarHBondContact O-CG1 3.47Å; L300-I304 PolarHBondContact O-N 3.16Å; L300-V310 HydrophobicContact CB-CG1 4.4Å; L300-V310 HydrophobicContact CB-CG2 4.5Å; L300-I313 HydrophobicContact CD1-CB 4.13Å; L300-I313 HydrophobicContact CD1-CD1 4.1Å; L300-I313 HydrophobicContact CD1-CG2 3.48Å; L300-I313 VanDerWaalsContact CD1-CG2 3.48Å
301T95.8Very high95.8Very high83 Ų8365.3 Ų65.351%0.50934%0.344SS..THydrogen-bonded Turntrans-51.7-39.5179.2-640000113.9K297 Q303 I304K297-T301 WeakPolarHBondContact O-CB 3.42Å; K297-T301 PolarHBondContact O-N 2.78Å; K297-T301 PolarHBondContact O-OG1 2.91Å; T301-Q303 PolarHBondContact O-N 2.81Å; T301-I304 PolarHBondContact O-N 3.26Å
302P94.4Very high96Very high110 Ų11057.6 Ų57.671%0.71430%0.303SS*.THydrogen-bonded Turntrans-64.8-21.9176.2-23.735.3000114.7E298 L300E298-P302 VanDerWaalsContact O-CD 3.24Å; E298-P302 WeakPolarHBondContact O-CD 3.42Å; L300-P302 VanDerWaalsContact C-CD 3.42Å; L300-P302 VanDerWaalsContact C-N 3.31Å
303Q90.4Very high96.1Very high84 Ų8456.3 Ų56.339%0.39330%0.295SS..THydrogen-bonded Turntrans-103.7-20.2-177.2-62.8-179.870.500112.8K299 L300 T301K299-Q303 PolarHBondContact O-NE2 2.75Å; L300-Q303 PolarHBondContact O-N 2.69Å; T301-Q303 PolarHBondContact O-N 2.81Å
304I94Very high96.2Very high4 Ų450 Ų502%0.02127%0.269CS..  trans-121.2102.3-173.1-52.2-170.4000108.6W244 L300 T301 C306 A309 V310 I313W244-I304 HydrophobicContact CB-CD1 4.01Å; W244-I304 HydrophobicContact CB-CG1 3.71Å; W244-I304 HydrophobicContact CD2-CD1 3.91Å; W244-I304 HydrophobicContact CD2-CG1 4.01Å; W244-I304 HydrophobicContact CD2-CG2 4.19Å; W244-I304 HydrophobicContact CE3-CD1 4.06Å; W244-I304 HydrophobicContact CG-CB 4.35Å; W244-I304 HydrophobicContact CG-CD1 3.91Å; W244-I304 HydrophobicContact CG-CG1 3.57Å; W244-I304 HydrophobicContact CG-CG2 4.35Å; W244-I304 HydrophobicContact CZ2-CG2 4.22Å; L300-I304 HydrophobicContact CB-CD1 4.04Å; L300-I304 HydrophobicContact CB-CG1 4.43Å; L300-I304 HydrophobicContact CD2-CD1 4.37Å; L300-I304 WeakPolarHBondContact O-CG1 3.47Å; L300-I304 PolarHBondContact O-N 3.16Å; T301-I304 PolarHBondContact O-N 3.26Å; I304-C306 HydrophobicContact CG2-CB 4.44Å; I304-C306 WeakPolarHBondContact CG2-O 3.47Å; I304-C306 PolarHBondContact O-N 2.79Å; I304-A309 HydrophobicContact CG2-CB 3.74Å; I304-V310 HydrophobicContact CB-CG2 3.6Å; I304-V310 HydrophobicContact CD1-CG2 4.32Å; I304-V310 HydrophobicContact CG1-CG2 4.42Å; I304-V310 HydrophobicContact CG2-CG2 3.67Å; I304-I313 HydrophobicContact CD1-CD1 3.49Å; I304-I313 VanDerWaalsContact CD1-CD1 3.49Å
305S91.5Very high96.2Very high117 Ų11749.4 Ų49.482%0.81827%0.269SS*.  trans-69.5-16.1179.554.90000114.4P307S305-P307 WeakPolarHBondContact O-CD 3.3Å
306C95.4Very high96.3Very high8 Ų847 Ų475%0.05426%0.258CS..  trans-93.1109.8-179.6168.30000110.1L143 I304 S308 A309 V310 E338L143-C306 HydrophobicContact CD1-CB 4.26Å; L143-C306 HydrophobicContact CD2-CB 4.29Å; I304-C306 HydrophobicContact CG2-CB 4.44Å; I304-C306 WeakPolarHBondContact CG2-O 3.47Å; I304-C306 PolarHBondContact O-N 2.79Å; C306-S308 PolarHBondContact O-N 2.59Å; C306-S308 PolarHBondContact SG-OG 2.63Å; C306-A309 HydrophobicContact CB-CB 3.97Å; C306-A309 WeakPolarHBondContact O-CB 3.22Å; C306-A309 PolarHBondContact O-N 3.03Å; C306-A309 PolarHBondContact SG-N 3.12Å; C306-V310 PolarHBondContact O-N 2.71Å; C306-E338 PolarHBondContact SG-OE1 2.99Å
307P96.8Very high96.4Very high103 Ų10347 Ų4767%0.66926%0.258SS*.Hα-helixtrans-64.1-37.2-175.6-24.736.2000113.9S305 A309 V310 D311S305-P307 WeakPolarHBondContact O-CD 3.3Å; P307-A309 VanDerWaalsContact C-N 3.29Å; P307-A309 PolarHBondContact O-N 3.19Å; P307-V310 PolarHBondContact O-N 3.08Å; P307-D311 WeakPolarHBondContact O-CB 3.43Å; P307-D311 PolarHBondContact O-N 2.95Å
308S97.9Very high96.5Very high11 Ų1144.6 Ų44.68%0.07725%0.25CC..Hα-helixtrans-68.4-27.5178.464.90000112.5C306 D311 L312 H333 F335 E338C306-S308 PolarHBondContact O-N 2.59Å; C306-S308 PolarHBondContact SG-OG 2.63Å; S308-D311 PolarHBondContact O-N 2.83Å; S308-L312 WeakPolarHBondContact O-CB 3.49Å; S308-L312 PolarHBondContact O-N 3.46Å; S308-H333 PolarHBondContact O-CE1 2.95Å; S308-H333 VanDerWaalsContact O-CE1 3.25Å; S308-F335 WeakPolarHBondContact OG-CA 3.23Å; S308-E338 WeakPolarHBondContact CB-OE2 3.4Å; S308-E338 PolarHBondContact OG-OE1 2.89Å; S308-E338 PolarHBondContact OG-OE2 3.38Å
309A98.3Very high96.6Very high0 Ų038.7 Ų38.70%022%0.223CC..Hα-helixtrans-66.7-45.4171.200000111.5M240 W244 I304 C306 P307 D311 L312 I313 F335M240-A309 HydrophobicContact CE-CB 4.02Å; W244-A309 HydrophobicContact CH2-CB 3.7Å; W244-A309 HydrophobicContact CZ2-CB 3.75Å; W244-A309 HydrophobicContact CZ3-CB 4.5Å; I304-A309 HydrophobicContact CG2-CB 3.74Å; C306-A309 HydrophobicContact CB-CB 3.97Å; C306-A309 WeakPolarHBondContact O-CB 3.22Å; C306-A309 PolarHBondContact O-N 3.03Å; C306-A309 PolarHBondContact SG-N 3.12Å; P307-A309 VanDerWaalsContact C-N 3.29Å; P307-A309 PolarHBondContact O-N 3.19Å; A309-D311 VanDerWaalsContact C-N 3.27Å; A309-D311 PolarHBondContact O-N 2.9Å; A309-L312 PolarHBondContact O-N 2.84Å; A309-I313 VanDerWaalsContact O-CG1 3.31Å; A309-I313 WeakPolarHBondContact O-CG1 3.31Å; A309-I313 PolarHBondContact O-N 2.76Å; A309-F335 HydrophobicContact CB-CD2 3.73Å; A309-F335 HydrophobicContact CB-CE2 3.55Å; A309-F335 HydrophobicContact CB-CZ 4.35Å
310V98.3Very high96.8Very high5 Ų534.3 Ų34.33%0.0320%0.204CC..Hα-helixtrans-60.2-42.6175.3177.10000110.4K297 L300 I304 C306 P307 I313 D314K297-V310 HydrophobicContact CB-CG1 4.02Å; K297-V310 HydrophobicContact CG-CG1 3.94Å; L300-V310 HydrophobicContact CB-CG1 4.4Å; L300-V310 HydrophobicContact CB-CG2 4.5Å; I304-V310 HydrophobicContact CB-CG2 3.6Å; I304-V310 HydrophobicContact CD1-CG2 4.32Å; I304-V310 HydrophobicContact CG1-CG2 4.42Å; I304-V310 HydrophobicContact CG2-CG2 3.67Å; C306-V310 PolarHBondContact O-N 2.71Å; P307-V310 PolarHBondContact O-N 3.08Å; V310-I313 PolarHBondContact O-N 3.29Å; V310-D314 WeakPolarHBondContact O-CB 3.4Å; V310-D314 PolarHBondContact O-N 3.29Å
311D98.4Very high96.9Very high39 Ų3934.8 Ų34.821%0.20921%0.207CC..Hα-helixtrans-68-39.5-179.9-17252.3000112.8K297 P307 S308 A309 D314 K315 H333K297-D311 IonicContact NZ-OD1 2.74Å; K297-D311 PolarHBondContact NZ-OD1 2.85Å; P307-D311 WeakPolarHBondContact O-CB 3.43Å; P307-D311 PolarHBondContact O-N 2.95Å; S308-D311 PolarHBondContact O-N 2.83Å; A309-D311 VanDerWaalsContact C-N 3.27Å; A309-D311 PolarHBondContact O-N 2.9Å; D311-D314 PolarHBondContact O-N 3.35Å; D311-K315 WeakPolarHBondContact O-CG 3.46Å; D311-K315 PolarHBondContact O-N 2.78Å; D311-K315 IonicContact OD1-NZ 2.54Å; D311-K315 PolarHBondContact OD1-NZ 3.35Å; D311-K315 VanDerWaalsContact OD1-NZ 3.15Å; D311-K315 IonicContact OD2-NZ 3.57Å; D311-K315 PolarHBondContact OD2-NZ 3.17Å; D311-H333 IonicContact OD2-CE1 3.22Å; D311-H333 IonicContact OD2-NE2 3.67Å; D311-H333 PolarHBondContact OD2-NE2 3.47Å
312L98.7Very high96.9Very high0 Ų036.8 Ų36.80%022%0.215CC..Hα-helixtrans-63.3-47.1172.6-177.852.5000111.1M240 S308 A309 D314 K315 L316 L325 A330 H333 F335 F336M240-L312 HydrophobicContact CE-CB 4.04Å; M240-L312 HydrophobicContact CE-CD2 3.84Å; M240-L312 HydrophobicContact CE-CG 4.13Å; M240-L312 HydrophobicContact SD-CB 4.2Å; M240-L312 HydrophobicContact SD-CD2 3.76Å; M240-L312 HydrophobicContact SD-CG 3.79Å; S308-L312 WeakPolarHBondContact O-CB 3.49Å; S308-L312 PolarHBondContact O-N 3.46Å; A309-L312 PolarHBondContact O-N 2.84Å; L312-D314 VanDerWaalsContact C-N 3.28Å; L312-D314 PolarHBondContact O-N 2.88Å; L312-K315 PolarHBondContact O-N 3.32Å; L312-K315 VanDerWaalsContact O-N 3.11Å; L312-L316 HydrophobicContact CD1-CD1 4.14Å; L312-L316 HydrophobicContact CD1-CD2 4.35Å; L312-L316 HydrophobicContact CD1-CG 4.04Å; L312-L316 HydrophobicContact CG-CD1 3.96Å; L312-L316 HydrophobicContact CG-CG 4.33Å; L312-L316 VanDerWaalsContact O-CG 3.26Å; L312-L316 WeakPolarHBondContact O-CG 3.5Å; L312-L316 PolarHBondContact O-N 2.89Å; L312-L325 HydrophobicContact CD1-CD1 4.09Å; L312-A330 HydrophobicContact CD1-CB 4.2Å; L312-H333 HydrophobicContact CD1-CB 4.01Å; L312-H333 HydrophobicContact CD2-CB 4.42Å; L312-F335 HydrophobicContact CD2-CB 4.14Å; L312-F335 HydrophobicContact CD2-CD1 3.73Å; L312-F335 HydrophobicContact CD2-CG 4.22Å; L312-F336 HydrophobicContact CD2-CE2 3.74Å; L312-F336 HydrophobicContact CD2-CZ 3.97Å
313I98.6Very high97Very high0 Ų037 Ų370%020%0.204CC..Hα-helixtrans-57.9-42.9176.7-66.1162.7000110.8M240 A241 V296 L300 I304 A309 V310 K315 L316 L317M240-I313 HydrophobicContact CB-CG1 4.02Å; M240-I313 HydrophobicContact CE-CD1 4.48Å; M240-I313 HydrophobicContact CE-CG1 4.08Å; M240-I313 HydrophobicContact CG-CD1 4.04Å; M240-I313 HydrophobicContact CG-CG1 3.6Å; M240-I313 HydrophobicContact SD-CG1 3.68Å; A241-I313 HydrophobicContact CB-CD1 4.2Å; A241-I313 HydrophobicContact CB-CG2 4.18Å; V296-I313 HydrophobicContact CG1-CG2 4.35Å; L300-I313 HydrophobicContact CD1-CB 4.13Å; L300-I313 HydrophobicContact CD1-CD1 4.1Å; L300-I313 HydrophobicContact CD1-CG2 3.48Å; L300-I313 VanDerWaalsContact CD1-CG2 3.48Å; I304-I313 HydrophobicContact CD1-CD1 3.49Å; I304-I313 VanDerWaalsContact CD1-CD1 3.49Å; A309-I313 VanDerWaalsContact O-CG1 3.31Å; A309-I313 WeakPolarHBondContact O-CG1 3.31Å; A309-I313 PolarHBondContact O-N 2.76Å; V310-I313 PolarHBondContact O-N 3.29Å; I313-K315 VanDerWaalsContact C-N 3.3Å; I313-K315 PolarHBondContact O-N 2.67Å; I313-L316 PolarHBondContact O-N 3.33Å; I313-L317 HydrophobicContact CG2-CD1 3.67Å; I313-L317 HydrophobicContact CG2-CG 4.19Å; I313-L317 WeakPolarHBondContact O-CB 3.48Å; I313-L317 WeakPolarHBondContact O-CG 3.47Å; I313-L317 PolarHBondContact O-N 2.84Å
314D98.4Very high97.4Very high29 Ų2933.4 Ų33.416%0.15519%0.187CC..Hα-helixtrans-59.5-41.5177.3-173.653.8000112.2R294 V296 K297 V310 D311 L312R294-D314 IonicContact CZ-OD1 2.73Å; R294-D314 IonicContact NE-OD1 3.77Å; R294-D314 PolarHBondContact NE-OD1 3.46Å; R294-D314 PolarHBondContact NH2-O 2.91Å; R294-D314 IonicContact NH2-OD1 3.56Å; R294-D314 PolarHBondContact NH2-OD1 2.86Å; V296-D314 HydrophobicContact CG1-CB 4.22Å; K297-D314 WeakPolarHBondContact CE-OD2 3.4Å; K297-D314 HydrophobicContact CG-CB 4.11Å; K297-D314 IonicContact NZ-OD2 3.15Å; V310-D314 WeakPolarHBondContact O-CB 3.4Å; V310-D314 PolarHBondContact O-N 3.29Å; D311-D314 PolarHBondContact O-N 3.35Å; L312-D314 VanDerWaalsContact C-N 3.28Å; L312-D314 PolarHBondContact O-N 2.88Å
315K98.6Very high97.6Very high69 Ų6934.5 Ų34.530%0.319%0.193SC..Hα-helixtrans-74.2-23.1177.4-70.9-169.8-178.779.90114.4D311 L312 I313 V318 L325 H333D311-K315 WeakPolarHBondContact O-CG 3.46Å; D311-K315 PolarHBondContact O-N 2.78Å; D311-K315 IonicContact OD1-NZ 2.54Å; D311-K315 PolarHBondContact OD1-NZ 3.35Å; D311-K315 VanDerWaalsContact OD1-NZ 3.15Å; D311-K315 IonicContact OD2-NZ 3.57Å; D311-K315 PolarHBondContact OD2-NZ 3.17Å; L312-K315 PolarHBondContact O-N 3.32Å; L312-K315 VanDerWaalsContact O-N 3.11Å; I313-K315 VanDerWaalsContact C-N 3.3Å; I313-K315 PolarHBondContact O-N 2.67Å; K315-V318 WeakPolarHBondContact O-CG2 3.49Å; K315-L325 HydrophobicContact CB-CD1 3.62Å; K315-L325 HydrophobicContact CB-CG 3.83Å; K315-L325 HydrophobicContact CD-CD1 3.81Å; K315-L325 HydrophobicContact CD-CD2 4.38Å; K315-L325 HydrophobicContact CD-CG 4.29Å; K315-L325 HydrophobicContact CG-CD1 4.39Å; K315-L325 PolarHBondContact O-N 3.2Å; K315-H333 PolarHBondContact NZ-NE2 3.31Å
316L98.7Very high97.9Very high0 Ų032.3 Ų32.30%017%0.172CC..Hα-helixtrans-82.7-31173.3-63.5172.6000112.2I233 M240 L312 I313 V318 R324 A330I233-L316 HydrophobicContact CG2-CD2 3.33Å; I233-L316 HydrophobicContact CG2-CG 4.5Å; M240-L316 HydrophobicContact SD-CD1 4Å; L312-L316 HydrophobicContact CD1-CD1 4.14Å; L312-L316 HydrophobicContact CD1-CD2 4.35Å; L312-L316 HydrophobicContact CD1-CG 4.04Å; L312-L316 HydrophobicContact CG-CD1 3.96Å; L312-L316 HydrophobicContact CG-CG 4.33Å; L312-L316 VanDerWaalsContact O-CG 3.26Å; L312-L316 WeakPolarHBondContact O-CG 3.5Å; L312-L316 PolarHBondContact O-N 2.89Å; I313-L316 PolarHBondContact O-N 3.33Å; L316-V318 VanDerWaalsContact C-N 3.34Å; L316-V318 PolarHBondContact O-N 3.42Å; L316-R324 WeakPolarHBondContact O-CD 3.42Å; L316-R324 VanDerWaalsContact O-CG 3.24Å; L316-R324 WeakPolarHBondContact O-CG 3.29Å; L316-A330 HydrophobicContact CD2-CB 4.07Å
317L98.7Very high98.1Very high1 Ų132 Ų321%0.00517%0.17CC..SBendtrans-96.642.6180-62-179.1000112.6W234 I249 R294 I313W234-L317 HydrophobicContact CD2-CD2 4Å; W234-L317 HydrophobicContact CE3-CD2 4.08Å; W234-L317 HydrophobicContact CH2-CD2 4.43Å; W234-L317 HydrophobicContact CZ2-CD2 4.35Å; W234-L317 HydrophobicContact CZ3-CB 4.34Å; W234-L317 HydrophobicContact CZ3-CD2 4.3Å; I249-L317 HydrophobicContact CD1-CD1 3.77Å; R294-L317 PolarHBondContact NH1-O 3.14Å; R294-L317 PolarHBondContact NH2-O 3.19Å; I313-L317 HydrophobicContact CG2-CD1 3.67Å; I313-L317 HydrophobicContact CG2-CG 4.19Å; I313-L317 WeakPolarHBondContact O-CB 3.48Å; I313-L317 WeakPolarHBondContact O-CG 3.47Å; I313-L317 PolarHBondContact O-N 2.84Å
318V98.6Very high98.1Very high32 Ų3231 Ų3119%0.19416%0.16CC..  trans-84.2132.7174.9177.60000109.8K315 L316 K323 R324K315-V318 WeakPolarHBondContact O-CG2 3.49Å; L316-V318 VanDerWaalsContact C-N 3.34Å; L316-V318 PolarHBondContact O-N 3.42Å; V318-K323 HydrophobicContact CG1-CB 3.85Å; V318-R324 HydrophobicContact CB-CB 4.14Å; V318-R324 HydrophobicContact CB-CG 4.4Å; V318-R324 PolarHBondContact O-NE 2.78Å; V318-R324 PolarHBondContact O-NH2 2.89Å
319L98.4Very high98.2Very high9 Ų935.1 Ų35.15%0.04718%0.178CC..SBendtrans-63.4-49.4-176.7-67.7174.1000112P218 I262 C266 I269 V273 W274 P321 R324P218-L319 HydrophobicContact CB-CD2 4.43Å; P218-L319 HydrophobicContact CG-CD2 4.05Å; I262-L319 HydrophobicContact CG2-CD2 3.75Å; C266-L319 HydrophobicContact CB-CD1 4.44Å; C266-L319 HydrophobicContact CB-CD2 3.65Å; C266-L319 HydrophobicContact CB-CG 3.99Å; I269-L319 HydrophobicContact CG1-CD1 4.04Å; I269-L319 HydrophobicContact CG1-CD2 4.15Å; V273-L319 HydrophobicContact CG2-CD1 4.22Å; W274-L319 HydrophobicContact CE3-CB 4.47Å; L319-P321 VanDerWaalsContact O-CD 3.31Å; L319-P321 WeakPolarHBondContact O-CD 3.41Å; L319-R324 PolarHBondContact O-NH2 2.89Å
320D98Very high98.2Very high9 Ų935.1 Ų35.15%0.04818%0.178CC..SBendtrans-72.3114.2176-176.3-11000110.1W274 N322 K323 R324W274-D320 HydrophobicContact CB-CB 3.97Å; W274-D320 HydrophobicContact CG-CB 3.9Å; D320-N322 PolarHBondContact O-N 2.99Å; D320-N322 VanDerWaalsContact O-N 3.13Å; D320-N322 WeakPolarHBondContact OD1-CB 3.33Å; D320-N322 PolarHBondContact OD1-N 3.28Å; D320-N322 PolarHBondContact OD1-ND2 2.68Å; D320-N322 VanDerWaalsContact OD1-ND2 3.16Å; D320-K323 HydrophobicContact CB-CB 4.22Å; D320-K323 HydrophobicContact CB-CD 4.09Å; D320-K323 HydrophobicContact CB-CG 4.16Å; D320-K323 PolarHBondContact O-N 2.81Å; D320-K323 WeakPolarHBondContact OD2-CE 3.3Å; D320-K323 IonicContact OD2-NZ 3.38Å; D320-R324 PolarHBondContact O-N 3.09Å; D320-R324 VanDerWaalsContact O-N 3.16Å
321P97.1Very high98.2Very high17 Ų1736.4 Ų36.411%0.1118%0.184CC..THydrogen-bonded Turntrans-61.4-23-178.624.7-33.9000113.1E219 P230 W274 L319 K323E219-P321 HydrophobicContact CG-CG 4.5Å; P230-P321 HydrophobicContact CB-CB 3.7Å; P230-P321 WeakPolarHBondContact CB-O 3.43Å; P230-P321 HydrophobicContact CG-CB 4.08Å; P230-P321 VanDerWaalsContact CG-O 3.24Å; P230-P321 WeakPolarHBondContact CG-O 3.24Å; W274-P321 HydrophobicContact CZ2-CG 4.34Å; L319-P321 VanDerWaalsContact O-CD 3.31Å; L319-P321 WeakPolarHBondContact O-CD 3.41Å; P321-K323 VanDerWaalsContact C-N 3.35Å
322N95.5Very high98.2Very high125 Ų12538.2 Ų38.267%0.66820%0.2SC*.THydrogen-bonded Turntrans-78.2-20.3178.5-58.2-61.7000113.2D320D320-N322 PolarHBondContact O-N 2.99Å; D320-N322 VanDerWaalsContact O-N 3.13Å; D320-N322 WeakPolarHBondContact OD1-CB 3.33Å; D320-N322 PolarHBondContact OD1-N 3.28Å; D320-N322 PolarHBondContact OD1-ND2 2.68Å; D320-N322 VanDerWaalsContact OD1-ND2 3.16Å
323K97.5Very high98.2Very high114 Ų11439 Ų3950%0.49620%0.203SC..THydrogen-bonded Turntrans-99.8-13177.5-62.8178.5-171.2168.20112.6V273 V318 D320 P321V273-K323 PolarHBondContact O-NZ 3.28Å; V318-K323 HydrophobicContact CG1-CB 3.85Å; D320-K323 HydrophobicContact CB-CB 4.22Å; D320-K323 HydrophobicContact CB-CD 4.09Å; D320-K323 HydrophobicContact CB-CG 4.16Å; D320-K323 PolarHBondContact O-N 2.81Å; D320-K323 WeakPolarHBondContact OD2-CE 3.3Å; D320-K323 IonicContact OD2-NZ 3.38Å; P321-K323 VanDerWaalsContact C-N 3.35Å
324R98.2Very high98.1Very high9 Ų944.3 Ų44.33%0.03423%0.232CC..SBendtrans-65.3139173.6-163.7178.6-60.5148.65.7109.1E219 P230 I233 L316 V318 L319 D320E219-R324 IonicContact OE1-CZ 2.84Å; E219-R324 IonicContact OE1-NH1 2.71Å; E219-R324 PolarHBondContact OE1-NH1 2.99Å; E219-R324 IonicContact OE1-NH2 2.71Å; E219-R324 PolarHBondContact OE1-NH2 3.37Å; E219-R324 IonicContact OE2-CZ 3.82Å; E219-R324 IonicContact OE2-NH1 3.75Å; E219-R324 IonicContact OE2-NH2 3.58Å; E219-R324 PolarHBondContact OE2-NH2 3.07Å; P230-R324 PolarHBondContact O-NH1 3.21Å; I233-R324 HydrophobicContact CG2-CG 4.19Å; L316-R324 WeakPolarHBondContact O-CD 3.42Å; L316-R324 VanDerWaalsContact O-CG 3.24Å; L316-R324 WeakPolarHBondContact O-CG 3.29Å; V318-R324 HydrophobicContact CB-CB 4.14Å; V318-R324 HydrophobicContact CB-CG 4.4Å; V318-R324 PolarHBondContact O-NE 2.78Å; V318-R324 PolarHBondContact O-NH2 2.89Å; L319-R324 PolarHBondContact O-NH2 2.89Å; D320-R324 PolarHBondContact O-N 3.09Å; D320-R324 VanDerWaalsContact O-N 3.16Å
325L98.5Very high98.1Very high27 Ų2742.9 Ų42.914%0.14122%0.224CC..PPolyproline II helixtrans-56.9150.1176.4-65.8-176.5000110.7I233 L312 K315 Q329 A330I233-L325 VanDerWaalsContact CG2-O 3.3Å; I233-L325 WeakPolarHBondContact CG2-O 3.41Å; L312-L325 HydrophobicContact CD1-CD1 4.09Å; K315-L325 HydrophobicContact CB-CD1 3.62Å; K315-L325 HydrophobicContact CB-CG 3.83Å; K315-L325 HydrophobicContact CD-CD1 3.81Å; K315-L325 HydrophobicContact CD-CD2 4.38Å; K315-L325 HydrophobicContact CD-CG 4.29Å; K315-L325 HydrophobicContact CG-CD1 4.39Å; K315-L325 PolarHBondContact O-N 3.2Å; L325-Q329 HydrophobicContact CB-CB 4.29Å; L325-Q329 HydrophobicContact CD2-CB 3.94Å; L325-A330 HydrophobicContact CB-CB 4.46Å; L325-A330 HydrophobicContact CD1-CB 4.36Å
326N98.2Very high98.1Very high71 Ų7140 Ų4038%0.3821%0.212SC..PPolyproline II helixtrans-88.6171.6161.768.245.2000110.4D328 Q329 A330N326-D328 VanDerWaalsContact C-N 3.29Å; N326-D328 PolarHBondContact O-N 3.25Å; N326-D328 WeakPolarHBondContact OD1-CB 3.24Å; N326-D328 PolarHBondContact OD1-N 2.91Å; N326-Q329 PolarHBondContact ND2-OE1 3.36Å; N326-Q329 PolarHBondContact O-N 3.38Å; N326-Q329 WeakPolarHBondContact OD1-CG 3.49Å; N326-Q329 PolarHBondContact OD1-N 3.48Å; N326-A330 WeakPolarHBondContact O-CB 3.14Å; N326-A330 PolarHBondContact O-N 2.92Å
327A98.4Very high98Very high2 Ų246.6 Ų46.62%0.01724%0.242CC..Hα-helixtrans-59.9-36.9-177.400000113.3L157 I233 A330 L331L157-A327 HydrophobicContact CB-CB 4.2Å; I233-A327 HydrophobicContact CD1-CB 3.97Å; A327-A330 PolarHBondContact O-N 3.46Å; A327-L331 WeakPolarHBondContact O-CB 3.48Å; A327-L331 VanDerWaalsContact O-CG 3.3Å; A327-L331 WeakPolarHBondContact O-CG 3.45Å; A327-L331 PolarHBondContact O-N 3.43Å
328D98Very high97.8Very high83 Ų8349.5 Ų49.544%0.44426%0.256SS..Hα-helixtrans-67.4-46.6179.9-171.450000112Y158 N326 A330 L331 S332Y158-D328 HydrophobicContact CD2-CB 3.83Å; Y158-D328 HydrophobicContact CE2-CB 3.88Å; N326-D328 VanDerWaalsContact C-N 3.29Å; N326-D328 PolarHBondContact O-N 3.25Å; N326-D328 WeakPolarHBondContact OD1-CB 3.24Å; N326-D328 PolarHBondContact OD1-N 2.91Å; D328-A330 VanDerWaalsContact C-N 3.31Å; D328-A330 PolarHBondContact O-N 2.79Å; D328-L331 PolarHBondContact O-N 2.98Å; D328-S332 PolarHBondContact O-N 3.44Å; D328-S332 VanDerWaalsContact O-N 3.14Å; D328-S332 PolarHBondContact O-OG 3.04Å
329Q98.5Very high97.7Very high97 Ų9754.9 Ų54.945%0.45328%0.284SS..Hα-helixtrans-63.7-38.2174.4-67170.2-36.700111.8L325 N326 S332L325-Q329 HydrophobicContact CB-CB 4.29Å; L325-Q329 HydrophobicContact CD2-CB 3.94Å; N326-Q329 PolarHBondContact ND2-OE1 3.36Å; N326-Q329 PolarHBondContact O-N 3.38Å; N326-Q329 WeakPolarHBondContact OD1-CG 3.49Å; N326-Q329 PolarHBondContact OD1-N 3.48Å; Q329-S332 PolarHBondContact O-N 3.34Å
330A98.7Very high97.6Very high0 Ų056.8 Ų56.80%030%0.296CS..Hα-helixtrans-66.5-40.6176.700000111.8L154 L312 L316 L325 N326 A327 D328 S332 H333 F336L154-A330 HydrophobicContact CD1-CB 3.77Å; L154-A330 HydrophobicContact CD2-CB 3.98Å; L154-A330 HydrophobicContact CG-CB 4.48Å; L312-A330 HydrophobicContact CD1-CB 4.2Å; L316-A330 HydrophobicContact CD2-CB 4.07Å; L325-A330 HydrophobicContact CB-CB 4.46Å; L325-A330 HydrophobicContact CD1-CB 4.36Å; N326-A330 WeakPolarHBondContact O-CB 3.14Å; N326-A330 PolarHBondContact O-N 2.92Å; A327-A330 PolarHBondContact O-N 3.46Å; D328-A330 VanDerWaalsContact C-N 3.31Å; D328-A330 PolarHBondContact O-N 2.79Å; A330-S332 PolarHBondContact O-N 3.04Å; A330-H333 WeakPolarHBondContact O-CB 3.43Å; A330-H333 PolarHBondContact O-N 3.36Å; A330-F336 WeakPolarHBondContact O-CD2 3.46Å; A330-F336 VanDerWaalsContact O-CE2 3.23Å; A330-F336 WeakPolarHBondContact O-CE2 3.48Å
331L98.4Very high97.6Very high32 Ų3260.1 Ų60.117%0.16832%0.318CS..Hα-helixtrans-63.8-29175.1-77165.4000113.1Q151 L154 A327 D328 H333Q151-L331 HydrophobicContact CG-CD2 4.14Å; L154-L331 HydrophobicContact CB-CD1 4.46Å; L154-L331 HydrophobicContact CB-CD2 3.71Å; L154-L331 HydrophobicContact CB-CG 3.8Å; A327-L331 WeakPolarHBondContact O-CB 3.48Å; A327-L331 VanDerWaalsContact O-CG 3.3Å; A327-L331 WeakPolarHBondContact O-CG 3.45Å; A327-L331 PolarHBondContact O-N 3.43Å; D328-L331 PolarHBondContact O-N 2.98Å; L331-H333 VanDerWaalsContact C-N 3.26Å; L331-H333 PolarHBondContact O-N 3.39Å
332S98.2Very high97.6Very high76 Ų7661 Ų6153%0.53132%0.324SS..THydrogen-bonded Turntrans-83.95.2177.3-54.50000113.7D328 Q329 A330D328-S332 PolarHBondContact O-N 3.44Å; D328-S332 VanDerWaalsContact O-N 3.14Å; D328-S332 PolarHBondContact O-OG 3.04Å; Q329-S332 PolarHBondContact O-N 3.34Å; A330-S332 PolarHBondContact O-N 3.04Å
333H98.6Very high97.6Very high16 Ų1656.1 Ų56.17%0.07430%0.303CS..SBendtrans-75.2144.7-176.8-165.9-89.7000112.2S308 D311 L312 K315 A330 L331 F335 F336 H337S308-H333 PolarHBondContact O-CE1 2.95Å; S308-H333 VanDerWaalsContact O-CE1 3.25Å; D311-H333 IonicContact OD2-CE1 3.22Å; D311-H333 IonicContact OD2-NE2 3.67Å; D311-H333 PolarHBondContact OD2-NE2 3.47Å; L312-H333 HydrophobicContact CD1-CB 4.01Å; L312-H333 HydrophobicContact CD2-CB 4.42Å; K315-H333 PolarHBondContact NZ-NE2 3.31Å; A330-H333 WeakPolarHBondContact O-CB 3.43Å; A330-H333 PolarHBondContact O-N 3.36Å; L331-H333 VanDerWaalsContact C-N 3.26Å; L331-H333 PolarHBondContact O-N 3.39Å; H333-F335 PolarHBondContact ND1-N 3.48Å; H333-F335 PolarHBondContact O-N 2.86Å; H333-F336 PolarHBondContact O-N 3.02Å; H333-H337 PolarHBondContact O-CD2 3.27Å
334D98Very high97.5Very high112 Ų11255.2 Ų55.260%0.59930%0.304SS*.G310 helixtrans-49.3-31.3-179.3-64.1-17.3000113.9F336 H337 E338D334-F336 PolarHBondContact O-N 2.96Å; D334-F336 VanDerWaalsContact O-N 3.1Å; D334-H337 CarbonylContact O-C 3.59Å; D334-H337 PolarHBondContact O-N 2.88Å; D334-E338 WeakPolarHBondContact O-CG 3.35Å; D334-E338 PolarHBondContact O-N 3.01Å
335F98.3Very high97.4Very high0 Ų054.9 Ų54.90%030%0.303CS..G310 helixtrans-50.3-36175.9176.6-113.4000113.4L143 K147 M150 M240 W244 S308 A309 L312 H333L143-F335 HydrophobicContact CD1-CE2 3.99Å; L143-F335 HydrophobicContact CD1-CZ 4.47Å; K147-F335 HydrophobicContact CB-CE1 4.31Å; K147-F335 HydrophobicContact CB-CZ 4.22Å; K147-F335 HydrophobicContact CD-CE2 4.41Å; K147-F335 HydrophobicContact CD-CZ 4.45Å; K147-F335 WeakPolarHBondContact CD-O 3.45Å; K147-F335 WeakPolarHBondContact CE-O 3.27Å; K147-F335 HydrophobicContact CG-CD1 4.35Å; K147-F335 HydrophobicContact CG-CD2 4.36Å; K147-F335 HydrophobicContact CG-CE1 3.7Å; K147-F335 HydrophobicContact CG-CE2 3.68Å; K147-F335 HydrophobicContact CG-CZ 3.32Å; K147-F335 PolarHBondContact NZ-O 3.44Å; M150-F335 HydrophobicContact CB-CE1 4.33Å; M240-F335 HydrophobicContact CE-CD1 3.92Å; M240-F335 HydrophobicContact CE-CE1 3.66Å; M240-F335 HydrophobicContact CE-CE2 4.31Å; M240-F335 HydrophobicContact CE-CG 4.33Å; M240-F335 HydrophobicContact CE-CZ 3.87Å; W244-F335 HydrophobicContact CH2-CE2 4.14Å; W244-F335 AromaticContact CH2-CZ 3.86Å; W244-F335 HydrophobicContact CH2-CZ 3.86Å; W244-F335 HydrophobicContact CZ2-CE2 4.45Å; W244-F335 HydrophobicContact CZ2-CZ 4.49Å; S308-F335 WeakPolarHBondContact OG-CA 3.23Å; A309-F335 HydrophobicContact CB-CD2 3.73Å; A309-F335 HydrophobicContact CB-CE2 3.55Å; A309-F335 HydrophobicContact CB-CZ 4.35Å; L312-F335 HydrophobicContact CD2-CB 4.14Å; L312-F335 HydrophobicContact CD2-CD1 3.73Å; L312-F335 HydrophobicContact CD2-CG 4.22Å; H333-F335 PolarHBondContact ND1-N 3.48Å; H333-F335 PolarHBondContact O-N 2.86Å
336F98.2Very high97.2Very high9 Ų955.1 Ų55.14%0.03931%0.307CS..G310 helixtrans-88.9-12178.6-59.8-63.8000113.9K147 M150 Q151 L154 L312 A330 H333 D334K147-F336 WeakPolarHBondContact O-CE1 3.32Å; M150-F336 HydrophobicContact CB-CE1 3.88Å; M150-F336 HydrophobicContact CB-CZ 3.83Å; Q151-F336 HydrophobicContact CB-CD1 3.88Å; Q151-F336 HydrophobicContact CB-CE1 3.75Å; Q151-F336 HydrophobicContact CG-CD1 4.37Å; L154-F336 HydrophobicContact CD1-CE2 3.71Å; L154-F336 HydrophobicContact CD1-CZ 3.68Å; L312-F336 HydrophobicContact CD2-CE2 3.74Å; L312-F336 HydrophobicContact CD2-CZ 3.97Å; A330-F336 WeakPolarHBondContact O-CD2 3.46Å; A330-F336 VanDerWaalsContact O-CE2 3.23Å; A330-F336 WeakPolarHBondContact O-CE2 3.48Å; H333-F336 PolarHBondContact O-N 3.02Å; D334-F336 PolarHBondContact O-N 2.96Å; D334-F336 VanDerWaalsContact O-N 3.1Å
337H95.9Very high96.9Very high137 Ų13754 Ų5463%0.63430%0.304SS*.THydrogen-bonded Turntrans-111.8-10.8-174.4-61.1-63.3000114H333 D334H333-H337 PolarHBondContact O-CD2 3.27Å; D334-H337 CarbonylContact O-C 3.59Å; D334-H337 PolarHBondContact O-N 2.88Å
338E95.5Very high96.6Very high62 Ų6254.8 Ų54.829%0.2931%0.308SS..SBendtrans-85.4158.8170.874.4178.8-156.100112K147 C306 S308 D334 P340K147-E338 PolarHBondContact NZ-O 3.41Å; K147-E338 IonicContact NZ-OE1 3.06Å; C306-E338 PolarHBondContact SG-OE1 2.99Å; S308-E338 WeakPolarHBondContact CB-OE2 3.4Å; S308-E338 PolarHBondContact OG-OE1 2.89Å; S308-E338 PolarHBondContact OG-OE2 3.38Å; D334-E338 WeakPolarHBondContact O-CG 3.35Å; D334-E338 PolarHBondContact O-N 3.01Å; E338-P340 CarbonylContact O-C 3.46Å; E338-P340 VanDerWaalsContact O-O 3.13Å
339D96Very high96.1Very high146 Ų14651.1 Ų51.178%0.78129%0.289SS*.SBendtrans-71.1146.2171.3-75.7-44.6000112.5
340P96.7Very high95.1Very high48 Ų4854.3 Ų54.331%0.31230%0.301SS..SBendcis-76155.2-8.833.7-35.7000111.1L143 P144 K147 E338L143-P340 HydrophobicContact CB-CG 4.46Å; L143-P340 HydrophobicContact CD2-CG 4.1Å; L143-P340 HydrophobicContact CG-CG 4.25Å; P144-P340 HydrophobicContact CG-CB 3.96Å; P144-P340 HydrophobicContact CG-CG 3.73Å; K147-P340 WeakPolarHBondContact CD-O 3.31Å; K147-P340 VanDerWaalsContact CE-O 3.29Å; K147-P340 WeakPolarHBondContact CE-O 3.3Å; K147-P340 PolarHBondContact NZ-O 3.45Å; E338-P340 CarbonylContact O-C 3.46Å; E338-P340 VanDerWaalsContact O-O 3.13Å
341P97Very high94Very high79 Ų7961.8 Ų61.851%0.51334%0.341SS..PPolyproline II helixtrans-66.7165.8176.528.6-35.8000112.1P144 G343P144-P341 WeakPolarHBondContact CB-O 3.46Å; P341-G343 PolarHBondContact O-N 2.88Å
342P97.5Very high92.9Very high36 Ų3662.6 Ų62.623%0.23436%0.357CS..PPolyproline II helixtrans-50.8133.3167.9-24.433.6000112.3K147K147-P342 HydrophobicContact CB-CB 4.18Å; K147-P342 HydrophobicContact CB-CG 4.14Å
343G95.9Very high91.9Very high22 Ų2260.6 Ų60.623%0.22735%0.345CS..  trans-97.4178.7-176.600000114.5P144 S148 P341P144-G343 PolarHBondContact O-N 2.82Å; S148-G343 WeakPolarHBondContact CB-O 3.24Å; S148-G343 PolarHBondContact OG-O 2.87Å; P341-G343 PolarHBondContact O-N 2.88Å
344D94.9Very high90.9Very high96 Ų9662.5 Ų62.551%0.51336%0.36SS..  trans-82.5125.3175.8176.615000111.2S346 C347D344-S346 VanDerWaalsContact OD1-CB 3.25Å; D344-S346 WeakPolarHBondContact OD1-CB 3.47Å; D344-S346 PolarHBondContact OD1-N 2.81Å; D344-S346 PolarHBondContact OD1-OG 2.99Å; D344-S346 PolarHBondContact OD2-OG 3.38Å; D344-C347 PolarHBondContact O-SG 2.77Å
345L96.2Very high90.1Very high1 Ų159.7 Ų59.71%0.00534%0.343CS..G310 helixtrans-83.2-12.6178.2-56.6-174.9000113.5V145 S148 I149 Q152 I177 G181 L183 C347 L348V145-L345 HydrophobicContact CB-CD2 4.25Å; V145-L345 HydrophobicContact CG1-CD2 3.68Å; V145-L345 WeakPolarHBondContact O-CD2 3.49Å; S148-L345 WeakPolarHBondContact OG-CG 3.47Å; I149-L345 HydrophobicContact CG1-CD1 3.98Å; I149-L345 HydrophobicContact CG1-CD2 3.82Å; Q152-L345 VanDerWaalsContact NE2-CD1 3.33Å; I177-L345 HydrophobicContact CD1-CD1 4.43Å; I177-L345 HydrophobicContact CG2-CB 4.39Å; I177-L345 HydrophobicContact CG2-CD1 4.48Å; G181-L345 WeakPolarHBondContact O-CB 3.41Å; L183-L345 HydrophobicContact CB-CD1 4.45Å; L345-C347 PolarHBondContact O-N 2.93Å; L345-L348 HydrophobicContact CB-CD1 4.36Å; L345-L348 HydrophobicContact CD2-CD1 4.49Å; L345-L348 WeakPolarHBondContact O-CB 3.44Å; L345-L348 WeakPolarHBondContact O-CG 3.36Å; L345-L348 PolarHBondContact O-N 2.81Å
346S93.8Very high89.2Confident32 Ų3260.4 Ų60.422%0.22435%0.346CS..G310 helixtrans-58.5-21.1176.484.20000112.1D344 L348 S349D344-S346 VanDerWaalsContact OD1-CB 3.25Å; D344-S346 WeakPolarHBondContact OD1-CB 3.47Å; D344-S346 PolarHBondContact OD1-N 2.81Å; D344-S346 PolarHBondContact OD1-OG 2.99Å; D344-S346 PolarHBondContact OD2-OG 3.38Å; S346-L348 PolarHBondContact O-N 3.25Å; S346-L348 VanDerWaalsContact O-N 3.15Å; S346-S349 PolarHBondContact O-N 3.31Å
347C92.4Very high88.4Confident47 Ų4760.6 Ų60.632%0.31835%0.347SS..G310 helixtrans-58.1-26.2174.372.80000113.6D344 L345 S349 K350D344-C347 PolarHBondContact O-SG 2.77Å; L345-C347 PolarHBondContact O-N 2.93Å; C347-S349 PolarHBondContact O-N 2.82Å; C347-K350 HydrophobicContact CB-CD 4.27Å
348L90.9Very high87.6Confident20 Ų2057.1 Ų57.111%0.10533%0.329CS..G310 helixtrans-68.9-22.9178-60.3175.2000112.4L134 V139 F141 V145 I177 L345 S346L134-L348 HydrophobicContact CD1-CD1 4.06Å; V139-L348 HydrophobicContact CG1-CD2 4.1Å; F141-L348 HydrophobicContact CD1-CD2 3.92Å; F141-L348 HydrophobicContact CE1-CD1 4.2Å; F141-L348 HydrophobicContact CE1-CD2 3.74Å; V145-L348 HydrophobicContact CG1-CD1 4.48Å; V145-L348 HydrophobicContact CG1-CD2 4.38Å; I177-L348 HydrophobicContact CD1-CD1 3.92Å; L345-L348 HydrophobicContact CB-CD1 4.36Å; L345-L348 HydrophobicContact CD2-CD1 4.49Å; L345-L348 WeakPolarHBondContact O-CB 3.44Å; L345-L348 WeakPolarHBondContact O-CG 3.36Å; L345-L348 PolarHBondContact O-N 2.81Å; S346-L348 PolarHBondContact O-N 3.25Å; S346-L348 VanDerWaalsContact O-N 3.15Å
349S88.4Confident86.7Confident6 Ų655.3 Ų55.34%0.04232%0.321CS..G310 helixtrans-103.71.2-176.1-52.80000114.3H129 S346 C347 N351 G352H129-S349 PolarHBondContact CD2-OG 3.23Å; H129-S349 PolarHBondContact NE2-OG 2.98Å; S346-S349 PolarHBondContact O-N 3.31Å; C347-S349 PolarHBondContact O-N 2.82Å; S349-N351 PolarHBondContact O-N 3.47Å; S349-G352 PolarHBondContact O-N 2.83Å
350K78.6Confident85.6Confident163 Ų16348.6 Ų48.671%0.70929%0.287SS*.THydrogen-bonded Turntrans-54.2-31-173.3-79.9176.2176.6178.50115.1C347 G352C347-K350 HydrophobicContact CB-CD 4.27Å; K350-G352 VanDerWaalsContact C-N 3.33Å
351N75.1Confident84.6Confident157 Ų15750.1 Ų50.184%0.8429%0.29SS*.THydrogen-bonded Turntrans-89.13.8-178.8-65.2-18.6000113.6S349 A353S349-N351 PolarHBondContact O-N 3.47Å; N351-A353 PolarHBondContact O-N 2.86Å; N351-A353 VanDerWaalsContact O-N 3.1Å
352G74.3Confident83.1Confident49 Ų4947.6 Ų47.651%0.50528%0.276SS..  trans675.1-174.600000114.5S349 K350S349-G352 PolarHBondContact O-N 2.83Å; K350-G352 VanDerWaalsContact C-N 3.33Å
353A76.7Confident81.6Confident34 Ų3449.9 Ų49.928%0.28129%0.286SS..  trans-71.3146.3176.200000110.7H129 N351 F355H129-A353 PolarHBondContact CE1-O 3.26Å; N351-A353 PolarHBondContact O-N 2.86Å; N351-A353 VanDerWaalsContact O-N 3.1Å; A353-F355 HydrophobicContact CB-CE1 4.12Å; A353-F355 HydrophobicContact CB-CE2 3.9Å; A353-F355 HydrophobicContact CB-CZ 3.65Å
354S78.3Confident80.3Confident56 Ų5654.1 Ų54.139%0.39230%0.295SS..  trans-108.9128169.5169.20000108.1E128E128-S354 CarbonylContact O-C 3.46Å; E128-S354 VanDerWaalsContact O-CA 3.24Å; E128-S354 WeakPolarHBondContact O-CA 3.34Å; E128-S354 VanDerWaalsContact O-CB 3.28Å; E128-S354 WeakPolarHBondContact O-CB 3.35Å; E128-S354 PolarHBondContact O-OG 3.31Å
355F81.3Confident78.9Confident53 Ų5352.4 Ų52.423%0.23229%0.294CS..BIsolated β-bridgetrans-115.471.7-177.4-61.3-62.3000109.2E128 H129 D130 L134 Q137 V139 A353E128-F355 PolarHBondContact O-N 2.57Å; E128-F355 VanDerWaalsContact O-N 3.11Å; H129-F355 AromaticContact CE1-CD2 3.48Å; H129-F355 VanDerWaalsContact CE1-CD2 3.48Å; H129-F355 WeakPolarHBondContact CE1-CD2 2.96Å; H129-F355 WeakPolarHBondContact ND1-CB 3.32Å; H129-F355 AromaticContact ND1-CD2 3.39Å; H129-F355 WeakPolarHBondContact ND1-CD2 3.2Å; H129-F355 AromaticContact ND1-CG 3.81Å; H129-F355 PolarHBondContact ND1-N 2.82Å; H129-F355 VanDerWaalsContact ND1-N 3.13Å; D130-F355 PolarHBondContact N-O 3.32Å; L134-F355 HydrophobicContact CD2-CB 3.77Å; L134-F355 HydrophobicContact CD2-CD2 3.52Å; L134-F355 HydrophobicContact CD2-CE2 4.45Å; L134-F355 HydrophobicContact CD2-CG 3.98Å; L134-F355 HydrophobicContact CG-CB 4.17Å; Q137-F355 HydrophobicContact CB-CD1 4.31Å; Q137-F355 HydrophobicContact CG-CD1 3.82Å; Q137-F355 HydrophobicContact CG-CE1 4.31Å; V139-F355 HydrophobicContact CG2-CD2 4.47Å; V139-F355 HydrophobicContact CG2-CE2 4.37Å; A353-F355 HydrophobicContact CB-CE1 4.12Å; A353-F355 HydrophobicContact CB-CE2 3.9Å; A353-F355 HydrophobicContact CB-CZ 3.65Å
356L79.4Confident77.2Confident15 Ų1560.3 Ų60.38%0.07932%0.324CS..  trans-94.9135.3172.6-60.7173.5000110I46 D130 Y358 L359 G360I46-L356 HydrophobicContact CB-CD1 3.76Å; I46-L356 HydrophobicContact CD1-CD1 4.42Å; I46-L356 HydrophobicContact CG2-CD1 4.19Å; D130-L356 HydrophobicContact CB-CD2 4.26Å; D130-L356 WeakPolarHBondContact OD2-CA 3.36Å; D130-L356 WeakPolarHBondContact OD2-CD2 3.28Å; L356-Y358 VanDerWaalsContact C-N 3.27Å; L356-Y358 PolarHBondContact O-N 3.46Å; L356-L359 HydrophobicContact CB-CB 4.4Å; L356-L359 HydrophobicContact CB-CD1 4.14Å; L356-L359 HydrophobicContact CB-CG 4.07Å; L356-L359 HydrophobicContact CD1-CD1 4.08Å; L356-L359 HydrophobicContact CG-CD1 4.44Å; L356-L359 PolarHBondContact O-N 3.32Å; L356-L359 VanDerWaalsContact O-N 3.09Å; L356-G360 PolarHBondContact O-N 3.3Å
357E82.4Confident75.5Confident13 Ų1367.8 Ų67.86%0.06135%0.347CS..Hα-helixtrans-54.5-46.7-177-171.1-165.6-17800111.1D130 A132 L359 G360 Q361 G410D130-E357 PolarHBondContact OD1-N 2.87Å; D130-E357 PolarHBondContact OD2-N 3.04Å; A132-E357 HydrophobicContact CB-CB 4.08Å; A132-E357 HydrophobicContact CB-CG 4.18Å; E357-L359 VanDerWaalsContact C-N 3.31Å; E357-L359 PolarHBondContact O-N 3.2Å; E357-G360 WeakPolarHBondContact O-CA 3.39Å; E357-G360 PolarHBondContact O-N 3.11Å; E357-G360 VanDerWaalsContact O-N 3.08Å; E357-Q361 HydrophobicContact CG-CG 4.35Å; E357-Q361 WeakPolarHBondContact O-CG 3.39Å; E357-Q361 PolarHBondContact O-N 2.85Å; E357-Q361 PolarHBondContact OE1-NE2 2.86Å; E357-G410 WeakPolarHBondContact OE1-CA 3.03Å
358Y78.7Confident73.6Confident64 Ų6467.2 Ų67.225%0.25135%0.349SS..Hα-helixtrans-57.3-43.1179.5-176.9-98.6000112.2K45 I46 Q48 L356 Q361 A362K45-Y358 HydrophobicContact CB-CE1 4.19Å; K45-Y358 HydrophobicContact CD-CE1 4.19Å; K45-Y358 VanDerWaalsContact CD-OH 3.31Å; K45-Y358 WeakPolarHBondContact CD-OH 2.98Å; K45-Y358 WeakPolarHBondContact CE-OH 3.35Å; K45-Y358 HydrophobicContact CG-CE1 3.78Å; I46-Y358 VanDerWaalsContact O-CB 3.29Å; I46-Y358 WeakPolarHBondContact O-CB 3.08Å; Q48-Y358 HydrophobicContact CB-CD2 4.07Å; Q48-Y358 HydrophobicContact CB-CE2 3.69Å; L356-Y358 VanDerWaalsContact C-N 3.27Å; L356-Y358 PolarHBondContact O-N 3.46Å; Y358-Q361 PolarHBondContact O-N 2.71Å; Y358-A362 VanDerWaalsContact O-CB 3.25Å; Y358-A362 WeakPolarHBondContact O-CB 3.44Å; Y358-A362 PolarHBondContact O-N 3.34Å
359L76.3Confident71.9Confident24 Ų2471.1 Ų71.113%0.12637%0.37CS..Hα-helixtrans-67.3-39177.9-63.5-177.4000111.1Q44 L356 E357 N363Q44-L359 VanDerWaalsContact NE2-CD2 3.3Å; L356-L359 HydrophobicContact CB-CB 4.4Å; L356-L359 HydrophobicContact CB-CD1 4.14Å; L356-L359 HydrophobicContact CB-CG 4.07Å; L356-L359 HydrophobicContact CD1-CD1 4.08Å; L356-L359 HydrophobicContact CG-CD1 4.44Å; L356-L359 PolarHBondContact O-N 3.32Å; L356-L359 VanDerWaalsContact O-N 3.09Å; E357-L359 VanDerWaalsContact C-N 3.31Å; E357-L359 PolarHBondContact O-N 3.2Å; L359-N363 VanDerWaalsContact O-CB 3.28Å; L359-N363 WeakPolarHBondContact O-CB 3.37Å; L359-N363 PolarHBondContact O-N 2.73Å; L359-N363 PolarHBondContact O-ND2 3.32Å; L359-N363 VanDerWaalsContact O-ND2 3.11Å
360G72.1Confident70.1Confident6 Ų673.1 Ų73.16%0.06239%0.387CS..Hα-helixtrans-61.5-47.8174.100000112.7L356 E357 R364L356-G360 PolarHBondContact O-N 3.3Å; E357-G360 WeakPolarHBondContact O-CA 3.39Å; E357-G360 PolarHBondContact O-N 3.11Å; E357-G360 VanDerWaalsContact O-N 3.08Å; G360-R364 WeakPolarHBondContact O-CG 3.49Å; G360-R364 PolarHBondContact O-N 3.32Å; G360-R364 VanDerWaalsContact O-N 3.07Å
361Q75.5Confident68.6Low79 Ų7969.6 Ų69.637%0.36938%0.375SS..Hα-helixtrans-63.3-46.6176.6-67.3-175.99.400111.9E357 Y358 N363 R364 A365E357-Q361 HydrophobicContact CG-CG 4.35Å; E357-Q361 WeakPolarHBondContact O-CG 3.39Å; E357-Q361 PolarHBondContact O-N 2.85Å; E357-Q361 PolarHBondContact OE1-NE2 2.86Å; Y358-Q361 PolarHBondContact O-N 2.71Å; Q361-N363 VanDerWaalsContact C-N 3.35Å; Q361-N363 PolarHBondContact O-N 3.09Å; Q361-R364 PolarHBondContact O-N 3.18Å; Q361-A365 PolarHBondContact O-N 3.18Å
362A66.2Low67.3Low26 Ų2666.9 Ų66.922%0.21536%0.361CS..Hα-helixtrans-61.8-40.5178.700000112.3Y358 A365 R366Y358-A362 VanDerWaalsContact O-CB 3.25Å; Y358-A362 WeakPolarHBondContact O-CB 3.44Å; Y358-A362 PolarHBondContact O-N 3.34Å; A362-A365 PolarHBondContact O-N 3.48Å; A362-R366 WeakPolarHBondContact O-CG 3.26Å; A362-R366 PolarHBondContact O-N 3.02Å
363N65.8Low65.8Low85 Ų8572.6 Ų72.646%0.45537%0.369SS..Hα-helixtrans-66.1-39.1175.9-75.2-27.7000112.2L359 Q361 R366 R367L359-N363 VanDerWaalsContact O-CB 3.28Å; L359-N363 WeakPolarHBondContact O-CB 3.37Å; L359-N363 PolarHBondContact O-N 2.73Å; L359-N363 PolarHBondContact O-ND2 3.32Å; L359-N363 VanDerWaalsContact O-ND2 3.11Å; Q361-N363 VanDerWaalsContact C-N 3.35Å; Q361-N363 PolarHBondContact O-N 3.09Å; N363-R366 PolarHBondContact O-N 3.14Å; N363-R367 WeakPolarHBondContact O-CG 3.33Å; N363-R367 PolarHBondContact O-N 2.74Å
364R69.2Low64.3Low111 Ų11179.6 Ų79.642%0.41939%0.387SS..Hα-helixtrans-63.7-44.3174.3-75.4-175.1-71.8-133.33.9111.6G360 Q361 R367 G368G360-R364 WeakPolarHBondContact O-CG 3.49Å; G360-R364 PolarHBondContact O-N 3.32Å; G360-R364 VanDerWaalsContact O-N 3.07Å; Q361-R364 PolarHBondContact O-N 3.18Å; R364-R367 PolarHBondContact O-N 2.75Å; R364-G368 PolarHBondContact O-N 2.59Å
365A64.5Low62.8Low59 Ų5983.7 Ų83.749%0.48840%0.4SS..Hα-helixtrans-60.7-45.1176.500000111.9Q361 A362 R367 G368 L369Q361-A365 PolarHBondContact O-N 3.18Å; A362-A365 PolarHBondContact O-N 3.48Å; A365-R367 PolarHBondContact O-N 3.29Å; A365-G368 PolarHBondContact O-N 2.99Å; A365-L369 WeakPolarHBondContact O-CG 3.44Å; A365-L369 PolarHBondContact O-N 3.17Å
366R60.8Low61.2Low168 Ų16886.4 Ų86.463%0.63442%0.416SS*.Hα-helixtrans-62.3-41.8175.9-73.6-177.4-166169.23.4113A362 N363 L369 A370A362-R366 WeakPolarHBondContact O-CG 3.26Å; A362-R366 PolarHBondContact O-N 3.02Å; N363-R366 PolarHBondContact O-N 3.14Å; R366-L369 PolarHBondContact O-N 2.82Å; R366-A370 WeakPolarHBondContact O-CB 3.33Å; R366-A370 PolarHBondContact O-N 3.24Å
367R58.7Low59.6Low189 Ų18988.8 Ų88.871%0.71344%0.438SS*.Hα-helixtrans-65.5-39.6176-74.3-179.7-179177.91.2112N363 R364 A365 A370 N371N363-R367 WeakPolarHBondContact O-CG 3.33Å; N363-R367 PolarHBondContact O-N 2.74Å; R364-R367 PolarHBondContact O-N 2.75Å; A365-R367 PolarHBondContact O-N 3.29Å; R367-A370 PolarHBondContact O-N 3.24Å; R367-N371 PolarHBondContact O-N 3.41Å
368G52.5Low57.9Low35 Ų3594.6 Ų94.636%0.36147%0.469SS..Hα-helixtrans-60.1-45.7173.900000112.3R364 A365 N371 N372R364-G368 PolarHBondContact O-N 2.59Å; A365-G368 PolarHBondContact O-N 2.99Å; G368-N371 PolarHBondContact O-N 3.12Å; G368-N372 PolarHBondContact O-N 2.77Å; G368-N372 VanDerWaalsContact O-N 3.09Å
369L53.9Low56.5Low102 Ų10295.2 Ų95.253%0.53449%0.488SS..Hα-helixtrans-62.1-46.3174.7-72.5162.7000111.8A365 R366 N371 N372 Y373A365-L369 WeakPolarHBondContact O-CG 3.44Å; A365-L369 PolarHBondContact O-N 3.17Å; R366-L369 PolarHBondContact O-N 2.82Å; L369-N371 VanDerWaalsContact C-N 3.33Å; L369-N371 PolarHBondContact O-N 3.39Å; L369-N372 WeakPolarHBondContact O-CB 3.43Å; L369-N372 PolarHBondContact O-N 3.43Å; L369-N372 VanDerWaalsContact O-N 3.15Å; L369-Y373 WeakPolarHBondContact O-CD2 3.36Å; L369-Y373 PolarHBondContact O-N 3.34Å
370A51.2Low54.9Low48 Ų48100.1 Ų100.140%0.39751%0.514SS..Hα-helixtrans-62.1-37.517900000113.2R366 R367 Y373 R374R366-A370 WeakPolarHBondContact O-CB 3.33Å; R366-A370 PolarHBondContact O-N 3.24Å; R367-A370 PolarHBondContact O-N 3.24Å; A370-Y373 PolarHBondContact O-N 3.25Å; A370-R374 PolarHBondContact O-N 3.35Å
371N48.3Very low53.3Low88 Ų88108.2 Ų108.247%0.47155%0.548SS..Hα-helixtrans-68.1-37.1174.5-76.1-8.5000112R367 G368 L369 R374 H375R367-N371 PolarHBondContact O-N 3.41Å; G368-N371 PolarHBondContact O-N 3.12Å; L369-N371 VanDerWaalsContact C-N 3.33Å; L369-N371 PolarHBondContact O-N 3.39Å; N371-R374 PolarHBondContact O-N 2.76Å; N371-H375 PolarHBondContact O-CD2 2.92Å; N371-H375 PolarHBondContact O-N 3.35Å
372N47.6Very low51.3Low100 Ų100110.5 Ų110.554%0.53557%0.569SS.*Hα-helixtrans-64.6-40.2172.9-74.1-6.5000111.7G368 L369 R374 H375 I376G368-N372 PolarHBondContact O-N 2.77Å; G368-N372 VanDerWaalsContact O-N 3.09Å; L369-N372 WeakPolarHBondContact O-CB 3.43Å; L369-N372 PolarHBondContact O-N 3.43Å; L369-N372 VanDerWaalsContact O-N 3.15Å; N372-R374 PolarHBondContact O-N 3.47Å; N372-H375 PolarHBondContact O-N 3.39Å; N372-I376 WeakPolarHBondContact O-CD1 3.39Å; N372-I376 VanDerWaalsContact O-CG1 3.26Å; N372-I376 WeakPolarHBondContact O-CG1 3.12Å; N372-I376 PolarHBondContact O-N 3.04Å
373Y42.5Very low50.1Low170 Ų170115.7 Ų115.767%0.66760%0.599SS**Hα-helixtrans-63.9-38.2174-82.7-75.6000112.7L369 A370 I376 A377L369-Y373 WeakPolarHBondContact O-CD2 3.36Å; L369-Y373 PolarHBondContact O-N 3.34Å; A370-Y373 PolarHBondContact O-N 3.25Å; Y373-I376 PolarHBondContact O-N 2.9Å; Y373-A377 VanDerWaalsContact O-CB 3.3Å; Y373-A377 WeakPolarHBondContact O-CB 3.23Å; Y373-A377 PolarHBondContact O-N 2.87Å
374R44.3Very low48.6Very low180 Ų180122.9 Ų122.968%0.67962%0.619SS**Hα-helixtrans-67.3-37.6175-77.8-178.2172.4168-3112.9A370 N371 N372 N378A370-R374 PolarHBondContact O-N 3.35Å; N371-R374 PolarHBondContact O-N 2.76Å; N372-R374 PolarHBondContact O-N 3.47Å; R374-N378 WeakPolarHBondContact O-CB 3.4Å; R374-N378 PolarHBondContact O-N 3.36Å
375H46.9Very low47.2Very low143 Ų143129.6 Ų129.666%0.66265%0.645SS**Hα-helixtrans-69.6-35.6175.2-87.7-67.9000112.8N371 N372 A379N371-H375 PolarHBondContact O-CD2 2.92Å; N371-H375 PolarHBondContact O-N 3.35Å; N372-H375 PolarHBondContact O-N 3.39Å; H375-A379 WeakPolarHBondContact O-CB 3.44Å; H375-A379 PolarHBondContact O-N 3.04Å
376I47.2Very low45.9Very low110 Ų110130.3 Ų130.356%0.56466%0.658SS**Hα-helixtrans-71.4-38.6174.9-65164.8000111N372 Y373 A379N372-I376 WeakPolarHBondContact O-CD1 3.39Å; N372-I376 VanDerWaalsContact O-CG1 3.26Å; N372-I376 WeakPolarHBondContact O-CG1 3.12Å; N372-I376 PolarHBondContact O-N 3.04Å; Y373-I376 PolarHBondContact O-N 2.9Å; I376-A379 PolarHBondContact O-N 3.28Å
377A47Very low44.6Very low64 Ų64130 Ų13053%0.52967%0.668SS.*Hα-helixtrans-68.2-32.9177.300000113.2Y373Y373-A377 VanDerWaalsContact O-CB 3.3Å; Y373-A377 WeakPolarHBondContact O-CB 3.23Å; Y373-A377 PolarHBondContact O-N 2.87Å
378N47.2Very low43.6Very low136 Ų136127.8 Ų127.873%0.72767%0.67SS**Hα-helixtrans-85.3-11.3177.6-77.5-9.4000114.1R374 N380R374-N378 WeakPolarHBondContact O-CB 3.4Å; R374-N378 PolarHBondContact O-N 3.36Å; N378-N380 VanDerWaalsContact C-N 3.33Å
379A49.2Very low43Very low77 Ų77132 Ų13264%0.63669%0.689SS**THydrogen-bonded Turntrans-84-3178.700000114.1H375 I376H375-A379 WeakPolarHBondContact O-CB 3.44Å; H375-A379 PolarHBondContact O-N 3.04Å; I376-A379 PolarHBondContact O-N 3.28Å
380N41Very low42Very low126 Ų126135.7 Ų135.767%0.67471%0.705SS**  trans-107.131.5-172.9-85.4-11.3000115.4N378N378-N380 VanDerWaalsContact C-N 3.33Å
381F39.2Very low41.5Very low177 Ų177139.6 Ų139.678%0.77672%0.724SS**  trans-123.498.7168.6-84-82.1000111.6T383F381-T383 PolarHBondContact O-N 3.3Å
382P34.1Very low40.9Very low127 Ų127141.2 Ų141.283%0.82574%0.739SS**  trans-85.1104.5169.531.4-25.7000108.8
383T41.4Very low40.5Very low135 Ų135139.8 Ų139.883%0.82875%0.749SS**  trans-105119.1166.731.50000110.3F381F381-T383 PolarHBondContact O-N 3.3Å
384R34.1Very low40.2Very low236 Ų236137.8 Ų137.889%0.89176%0.756SS**  trans-66.5158.2178.7-83.5177163.1-178.9-4.9112.6
385R39.3Very low39.7Very low251 Ų251135.9 Ų135.995%0.94776%0.764SS**  trans97.7129.5163-56.5176.1-177.8-173.30.9112.6
386G36.4Very low39.3Very low74 Ų74134.7 Ų134.776%0.76377%0.77SS**  cis-173.4166.76.600000109.5
387L34.7Very low38.8Very low163 Ų163136.8 Ų136.885%0.85378%0.782SS**  trans-51.4141.3-175.6-63.291.6000114
388N37.9Very low38.1Very low142 Ų142141.6 Ų141.676%0.75979%0.793SS**  169.7145.394.2-113-12.4000114.9
389V39.8Very low37.4Very low124 Ų124140.3 Ų140.375%0.75279%0.792SS**  trans84.8107.9150.4-175.50000119.3V391V389-V391 HydrophobicContact CG1-CG2 4.44Å
390M31.7Very low36.3Very low178 Ų178143.2 Ų143.288%0.87780%0.796SS**  trans-83.1138.9161.6-74170.970.800111.1
391V42.1Very low35.9Very low130 Ų130144.6 Ų144.679%0.78880%0.802SS**  trans-144.9130.5148.9-174.40000108.3V389V389-V391 HydrophobicContact CG1-CG2 4.44Å
392P34.9Very low35.2Very low122 Ų122143.5 Ų143.579%0.79280%0.804SS**  trans-95.5144.3-178.835.2-29.1000112.5
393G39.2Very low34.9Very low71 Ų71144.4 Ų144.473%0.73280%0.797SS**  trans-163.1156.6174.500000112.3
394P36.3Very low34.2Very low128 Ų128142.6 Ų142.683%0.83179%0.79SS**  -98.3161.7-124.135.2-35.4000116.5
395V33.3Very low33.9Very low139 Ų139141.2 Ų141.284%0.84279%0.786SS**  trans-73.4137176.6-171.40000111.6
396P38.5Very low33.8Very low119 Ų119135.8 Ų135.877%0.77377%0.771SS**  trans-112.3140.5155.18.912.4000112.9
397N37.2Very low34.2Very low153 Ų153142.9 Ų142.982%0.81878%0.775SS**  trans-59.5136.7176.1-86.6-30.9000115
398Q33.4Very low34.7Very low165 Ų165136.8 Ų136.877%0.77174%0.741SS**  trans45.9147.9133.9-78.9-167.410.800121.3
399P32.5Very low35.4Very low109 Ų109138.3 Ų138.371%0.70874%0.736SS**  -149.5156.654.337.2-14.4000119.7
400I26.3Very low35.9Very low138 Ų138132.8 Ų132.871%0.70870%0.704SS**  trans25.4104.8138.7-47.2173000117.4
401I30.8Very low37.1Very low156 Ų156127.3 Ų127.380%0.868%0.678SS**  trans-130.398.4149.3-61.8-179.1000108.5Q403I401-Q403 PolarHBondContact O-N 2.95Å
402N25.7Very low37.5Very low154 Ų154122 Ų12282%0.82465%0.646SS**  trans-7394.8164.7-106-13.5000108.8
403Q27.1Very low37.9Very low146 Ų146119.9 Ų119.968%0.68263%0.632SS**  trans-141.287.6152.4-77.8-170.6-2.800107.2I401 Y405I401-Q403 PolarHBondContact O-N 2.95Å; Q403-Y405 PolarHBondContact O-N 3.23Å
404S27.6Very low38.1Very low97 Ų97123 Ų12368%0.67863%0.633SS**  trans-62.7104.3166.942.30000107.7Q406S404-Q406 PolarHBondContact O-N 3.18Å
405Y28.3Very low38.3Very low207 Ų207121.3 Ų121.381%0.81261%0.613SS**  trans-58.486.3168.6-81.2-97.5000109.2Q403 R407Q403-Y405 PolarHBondContact O-N 3.23Å; Y405-R407 PolarHBondContact O-N 3.23Å
406Q36.3Very low38.2Very low136 Ų136120.4 Ų120.464%0.63660%0.604SS**  trans-72.796.6172.3-75.2-172.4-14.400108.1S404S404-Q406 PolarHBondContact O-N 3.18Å
407R44.5Very low37.7Very low223 Ų223120.6 Ų120.684%0.84261%0.608SS**  trans-62.3136.7172.1-71.3-179.2-179.9173.31.2109.1Y405 R409Y405-R407 PolarHBondContact O-N 3.23Å; R407-R409 PolarHBondContact O-N 3.36Å
408Y45.3Very low37.3Very low35 Ų35117.3 Ų117.314%0.13760%0.597CS.*  trans-54.299.6166.3-163.3-95000109.6L135 A136 T172 E242 N246 P248 G410L135-Y408 HydrophobicContact CB-CE2 4.08Å; A136-Y408 HydrophobicContact CB-CD1 3.73Å; A136-Y408 HydrophobicContact CB-CE1 4.03Å; A136-Y408 HydrophobicContact CB-CG 4.46Å; T172-Y408 PolarHBondContact OG1-OH 3.18Å; E242-Y408 WeakPolarHBondContact OE1-CE2 3.34Å; E242-Y408 PolarHBondContact OE1-OH 3.31Å; N246-Y408 WeakPolarHBondContact O-CD2 2.96Å; P248-Y408 HydrophobicContact CG-CE2 4.5Å; Y408-G410 VanDerWaalsContact CE1-CA 3.45Å
409R53Low37.2Very low175 Ų175112.9 Ų112.966%0.6658%0.578SS**  trans-85.7111.2158.8-73-168.5-172.7-167.65104.1W214 R407 L411W214-R409 HydrophobicContact CH2-CB 4.1Å; W214-R409 VanDerWaalsContact CH2-O 3.31Å; W214-R409 WeakPolarHBondContact CH2-O 3.05Å; W214-R409 WeakPolarHBondContact CZ3-O 3.44Å; R407-R409 PolarHBondContact O-N 3.36Å; R409-L411 PolarHBondContact O-N 2.63Å
410G51Low37.1Very low7 Ų7115.1 Ų115.17%0.07258%0.583CS.*SBendtrans-76.3-4.1-170.700000115.1E357 Y408E357-G410 WeakPolarHBondContact OE1-CA 3.03Å; Y408-G410 VanDerWaalsContact CE1-CA 3.45Å
411L56.1Low37.1Very low64 Ų64115.2 Ų115.234%0.33559%0.585SS.*SBendtrans-144.1151.3171.6-70.7172000110.9K171 W214 R409K171-L411 HydrophobicContact CD-CD2 4.11Å; W214-L411 VanDerWaalsContact CH2-O 3.24Å; W214-L411 WeakPolarHBondContact CH2-O 3.12Å; W214-L411 VanDerWaalsContact CZ3-C 3.44Å; R409-L411 PolarHBondContact O-N 2.63Å
412P50.2Low37Very low17 Ų17113 Ų11311%0.1158%0.575CS.*PPolyproline II helixtrans-54.5151.1165.1-8.117.2000110.1T212 L213 W214 D414T212-P412 HydrophobicContact CG2-CG 3.64Å; L213-P412 HydrophobicContact CB-CG 4.34Å; W214-P412 HydrophobicContact CD2-CB 4.13Å; W214-P412 HydrophobicContact CD2-CG 3.62Å; W214-P412 HydrophobicContact CE3-CG 4.12Å; W214-P412 HydrophobicContact CG-CB 4.45Å; W214-P412 HydrophobicContact CG-CG 3.79Å; W214-P412 HydrophobicContact CZ2-CB 4.03Å; W214-P412 HydrophobicContact CZ2-CG 4.36Å; P412-D414 PolarHBondContact O-N 2.88Å
413P43.4Very low37.1Very low78 Ų78114.1 Ų114.151%0.50657%0.567SS.*PPolyproline II helixtrans-53.3128.316722.5-29.9000109.2Q415P413-Q415 PolarHBondContact O-N 3.14Å; P413-Q415 VanDerWaalsContact O-N 3.11Å
414D44Very low37Very low138 Ų138113.5 Ų113.574%0.73857%0.567SS**PPolyproline II helixtrans-47.5117.4-176.5-79.7-38.9000110.7P412 D416P412-D414 PolarHBondContact O-N 2.88Å; D414-D416 PolarHBondContact O-N 2.95Å
415Q39.6Very low37.1Very low91 Ų91122 Ų12243%0.42559%0.592SS.*  trans-89.554.5166.4-69-168.8-2.900109.8E253 P413E253-Q415 PolarHBondContact O-NE2 3.05Å; E253-Q415 VanDerWaalsContact O-NE2 3.07Å; P413-Q415 PolarHBondContact O-N 3.14Å; P413-Q415 VanDerWaalsContact O-N 3.11Å
416D31.3Very low37.5Very low121 Ų121117.7 Ų117.765%0.64758%0.581SS**  trans-99.189.1170.2-98.1-18.4000109.1D414D414-D416 PolarHBondContact O-N 2.95Å
417S28.8Very low37.6Very low123 Ų123116.7 Ų116.786%0.8658%0.578SS**SBendtrans-167.3-5.5159.642.60000115.7
418S27.7Very low37.2Very low83 Ų83110.8 Ų110.858%0.5856%0.564SS**SBendtrans-115.912.4-17258.90000116.9
419N31.2Very low36.7Very low72 Ų72115.3 Ų115.339%0.38559%0.589SS.*  trans-114.227.6-169.7-112.5-8.9000116.4
420I30.3Very low35.7Very low156 Ų156111.6 Ų111.680%0.858%0.584SS**SBendtrans-77.9-18.2174.8-84.3171.4000113.4
421N26.7Very low34.7Very low141 Ų141118.5 Ų118.575%0.75462%0.619SS**SBendtrans-104.9-6.7-169.4-72.4-18.2000117
422D29Very low33.2Very low109 Ų109122.4 Ų122.458%0.58364%0.639SS**SBendtrans-113.419.9-178.2-75.4-21.8000113.6
423R28.8Very low31.9Very low178 Ų178130.5 Ų130.567%0.67268%0.68SS**SBendtrans-98.211.6176.7-71.1-170.5177.1-176.12.8114.2
424I25.2Very low30.9Very low132 Ų132134.9 Ų134.968%0.67769%0.694SS**  trans-120.6130.1173.1-55175.2000105.4
425F28.4Very low29.7Very low275 Ų275134.6 Ų134.6100%1.20669%0.69SS**  trans102.30-168.2-53.6-60000115.4

Retrieved 425 of 425 residues in 534 ms (Link to these results)

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