A0A5K4F9K4_SCHMA Loading...

Serine/threonine-protein phosphatase

Probable phosphatase which plays a redundant role with gsp-4 in spermatogenesis by regulating sister chromatid segregation during meiosis. In addition, involved in sperm motility by controlling the dynamic disassembly of major sperm proteins (MSP) in the spermatozoan pseudopodium.

AlphaFold DB , UniProt , Accession A0A5K4F9K4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 366 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
1M37.4Very low71.4Confident239 Ų239127.1 Ų127.1100%1.17764%0.635SS**  0112.20-74.6165.767.100106.5S3M1-S3 PolarHBondContact O-N 3.36Å
2Q36.3Very low73.3Confident194 Ų194116.5 Ų116.591%0.90758%0.582SS**  trans-63118.6164.8-78.3173.2-24.600105.5Q4Q2-Q4 PolarHBondContact O-N 3.11Å; Q2-Q4 VanDerWaalsContact O-N 3.08Å
3S45.1Very low75Confident104 Ų104108.5 Ų108.573%0.72754%0.543SS*.  trans-53.3116.316847.20000106.5M1 E5M1-S3 PolarHBondContact O-N 3.36Å; S3-E5 PolarHBondContact O-N 3.41Å
4Q52.5Low76.2Confident185 Ų185110.9 Ų110.986%0.86455%0.551SS**  trans-57.8113.6163.4-76.3177.2-49.200104.8Q2 E6Q2-Q4 PolarHBondContact O-N 3.11Å; Q2-Q4 VanDerWaalsContact O-N 3.08Å; Q4-E6 PolarHBondContact O-N 2.89Å
5E63.1Low77.2Confident177 Ų177106.1 Ų106.183%0.82753%0.53SS*.  trans-56.2117.3171-74.6-179165.700106.4S3 L7S3-E5 PolarHBondContact O-N 3.41Å; E5-L7 PolarHBondContact O-N 2.61Å
6E81.3Confident78.2Confident185 Ų18599.9 Ų99.986%0.86450%0.499SS*.  trans-58.5136.7179.2-171173-169.200109Q4 N8Q4-E6 PolarHBondContact O-N 2.89Å; E6-N8 PolarHBondContact O-N 3.5Å
7L91.8Very high79Confident31 Ų3195.2 Ų95.216%0.16248%0.478CS..  trans-58.8108.3-178.6177.867.6000110E5 L9 Q55 D58 L59E5-L7 PolarHBondContact O-N 2.61Å; L7-L9 HydrophobicContact CD2-CD2 3.71Å; L7-L9 HydrophobicContact CG-CD2 4.07Å; L7-L9 PolarHBondContact O-N 3.39Å; L7-Q55 HydrophobicContact CD1-CB 4.08Å; L7-Q55 HydrophobicContact CD1-CG 4.24Å; L7-D58 HydrophobicContact CD1-CB 4.49Å; L7-L59 HydrophobicContact CD2-CB 3.97Å; L7-L59 HydrophobicContact CD2-CD1 3.99Å
8N94.6Very high79Confident89 Ų8995.6 Ų95.648%0.47647%0.474SS..  trans-75.290.5177.4-172.5-24.1000110.6E6 D10 H11 L12E6-N8 PolarHBondContact O-N 3.5Å; N8-D10 VanDerWaalsContact C-N 3.29Å; N8-D10 PolarHBondContact O-N 3.36Å; N8-D10 WeakPolarHBondContact OD1-CB 3.37Å; N8-D10 PolarHBondContact OD1-N 3.16Å; N8-H11 HydrophobicContact CB-CB 4.16Å; N8-H11 PolarHBondContact O-N 3.2Å; N8-H11 PolarHBondContact OD1-N 2.79Å; N8-L12 PolarHBondContact O-N 3.03Å; N8-L12 VanDerWaalsContact O-N 3.15Å
9L96.6Very high78.3Confident33 Ų3391.5 Ų91.517%0.17345%0.454CS..Hα-helixtrans-63.4-32.2179.4-66.1173.8000112.8L7 L12 I13 L59 A130 L133 K134L7-L9 HydrophobicContact CD2-CD2 3.71Å; L7-L9 HydrophobicContact CG-CD2 4.07Å; L7-L9 PolarHBondContact O-N 3.39Å; L9-L12 PolarHBondContact O-N 3.2Å; L9-I13 WeakPolarHBondContact O-CB 3.5Å; L9-I13 VanDerWaalsContact O-CG1 3.26Å; L9-I13 WeakPolarHBondContact O-CG1 2.97Å; L9-I13 PolarHBondContact O-N 3.18Å; L9-L59 HydrophobicContact CD2-CD1 4.02Å; L9-A130 HydrophobicContact CD2-CB 4.32Å; L9-L133 HydrophobicContact CD1-CB 3.78Å; L9-L133 HydrophobicContact CD2-CB 4.18Å; L9-L133 HydrophobicContact CD2-CD1 4.34Å; L9-K134 HydrophobicContact CB-CB 4.41Å; L9-K134 HydrophobicContact CD1-CB 4.03Å
10D94.9Very high77.3Confident90 Ų9094.5 Ų94.548%0.48146%0.464SS..Hα-helixtrans-63.6-49.4179.3-67-9.4000110.8N8 L12 I13 E14 K134N8-D10 VanDerWaalsContact C-N 3.29Å; N8-D10 PolarHBondContact O-N 3.36Å; N8-D10 WeakPolarHBondContact OD1-CB 3.37Å; N8-D10 PolarHBondContact OD1-N 3.16Å; D10-L12 VanDerWaalsContact C-N 3.32Å; D10-L12 PolarHBondContact O-N 3.02Å; D10-I13 PolarHBondContact O-N 3.19Å; D10-E14 WeakPolarHBondContact O-CB 3.42Å; D10-E14 PolarHBondContact O-N 3.19Å; D10-K134 WeakPolarHBondContact OD1-CD 3.31Å; D10-K134 WeakPolarHBondContact OD1-CE 3.45Å; D10-K134 IonicContact OD1-NZ 3.82Å; D10-K134 PolarHBondContact OD1-NZ 3.43Å
11H91.9Very high76.2Confident71 Ų7197.1 Ų97.133%0.32947%0.473SS..Hα-helixtrans-61.3-42.9176.2178.360.4000111.6N8 E14 V15N8-H11 HydrophobicContact CB-CB 4.16Å; N8-H11 PolarHBondContact O-N 3.2Å; N8-H11 PolarHBondContact OD1-N 2.79Å; H11-E14 PolarHBondContact O-N 2.89Å; H11-V15 VanDerWaalsContact CE1-CG2 3.45Å; H11-V15 WeakPolarHBondContact CE1-CG2 3.29Å; H11-V15 WeakPolarHBondContact O-CB 3.27Å; H11-V15 VanDerWaalsContact O-CG2 3.29Å; H11-V15 WeakPolarHBondContact O-CG2 3.27Å; H11-V15 PolarHBondContact O-N 3.46Å
12L93.9Very high76.8Confident0 Ų090.8 Ų90.80%044%0.444CS..Hα-helixtrans-64.4-44179.7-172.562.9000111.7N8 L9 D10 V15 L16 V51 L59 A130N8-L12 PolarHBondContact O-N 3.03Å; N8-L12 VanDerWaalsContact O-N 3.15Å; L9-L12 PolarHBondContact O-N 3.2Å; D10-L12 VanDerWaalsContact C-N 3.32Å; D10-L12 PolarHBondContact O-N 3.02Å; L12-V15 PolarHBondContact O-N 3.42Å; L12-L16 HydrophobicContact CD1-CD1 3.81Å; L12-L16 HydrophobicContact CD1-CG 4.15Å; L12-L16 HydrophobicContact CG-CD1 3.78Å; L12-L16 HydrophobicContact CG-CG 4.43Å; L12-L16 VanDerWaalsContact O-CB 3.28Å; L12-L16 WeakPolarHBondContact O-CB 3.47Å; L12-L16 VanDerWaalsContact O-CG 3.24Å; L12-L16 WeakPolarHBondContact O-CG 3.37Å; L12-L16 PolarHBondContact O-N 2.93Å; L12-V51 HydrophobicContact CD1-CB 4.46Å; L12-V51 HydrophobicContact CD1-CG1 3.73Å; L12-V51 HydrophobicContact CD1-CG2 3.84Å; L12-L59 HydrophobicContact CD2-CD1 3.85Å; L12-L59 HydrophobicContact CD2-CD2 3.96Å; L12-L59 HydrophobicContact CD2-CG 4.36Å; L12-A130 HydrophobicContact CD2-CB 3.98Å; L12-A130 HydrophobicContact CG-CB 4.34Å
13I95.4Very high77.1Confident13 Ų1382.8 Ų82.87%0.06741%0.408CS..Hα-helixtrans-62.4-44.2175.7-73.2165.1000110.8L9 D10 L16 S17 L127 A130 Y131 K134L9-I13 WeakPolarHBondContact O-CB 3.5Å; L9-I13 VanDerWaalsContact O-CG1 3.26Å; L9-I13 WeakPolarHBondContact O-CG1 2.97Å; L9-I13 PolarHBondContact O-N 3.18Å; D10-I13 PolarHBondContact O-N 3.19Å; I13-L16 PolarHBondContact O-N 3.49Å; I13-S17 WeakPolarHBondContact O-CB 3.27Å; I13-S17 PolarHBondContact O-N 2.89Å; I13-S17 PolarHBondContact O-OG 3.4Å; I13-L127 HydrophobicContact CG1-CD1 4.43Å; I13-L127 HydrophobicContact CG2-CD1 4.39Å; I13-A130 HydrophobicContact CD1-CB 4.38Å; I13-A130 HydrophobicContact CG1-CB 3.73Å; I13-Y131 HydrophobicContact CD1-CD1 3.74Å; I13-Y131 HydrophobicContact CD1-CE1 3.95Å; I13-Y131 HydrophobicContact CD1-CG 4.19Å; I13-Y131 HydrophobicContact CG1-CD1 4.32Å; I13-Y131 HydrophobicContact CG1-CE1 4.35Å; I13-Y131 HydrophobicContact CG1-CG 4.43Å; I13-Y131 HydrophobicContact CG2-CD1 4.48Å; I13-Y131 HydrophobicContact CG2-CE1 3.71Å; I13-Y131 HydrophobicContact CG2-CE2 4Å; I13-Y131 VanDerWaalsContact CG2-CZ 3.41Å; I13-Y131 VanDerWaalsContact CG2-OH 3.28Å; I13-Y131 WeakPolarHBondContact CG2-OH 3.23Å; I13-K134 HydrophobicContact CD1-CB 4.16Å; I13-K134 HydrophobicContact CD1-CD 3.56Å; I13-K134 HydrophobicContact CD1-CG 4.49Å
14E92.4Very high76.5Confident142 Ų14281.6 Ų81.666%0.66440%0.397SS*.Hα-helixtrans-58.6-51.4178.2-177.4-173.6-175.200111.1D10 H11 L16 S17D10-E14 WeakPolarHBondContact O-CB 3.42Å; D10-E14 PolarHBondContact O-N 3.19Å; H11-E14 PolarHBondContact O-N 2.89Å; E14-L16 PolarHBondContact O-N 2.98Å; E14-S17 PolarHBondContact O-N 3.04Å
15V91.1Very high76Confident39 Ų3979.8 Ų79.824%0.23639%0.392CS..Hα-helixtrans-63.2-42.4-179168.90000111.9H11 L12 Y18 R49 V51H11-V15 VanDerWaalsContact CE1-CG2 3.45Å; H11-V15 WeakPolarHBondContact CE1-CG2 3.29Å; H11-V15 WeakPolarHBondContact O-CB 3.27Å; H11-V15 VanDerWaalsContact O-CG2 3.29Å; H11-V15 WeakPolarHBondContact O-CG2 3.27Å; H11-V15 PolarHBondContact O-N 3.46Å; L12-V15 PolarHBondContact O-N 3.42Å; V15-Y18 WeakPolarHBondContact O-CB 3.43Å; V15-R49 WeakPolarHBondContact CG1-O 3.46Å; V15-V51 HydrophobicContact CG1-CG2 3.72Å
16L92.8Very high74.9Confident6 Ų678.7 Ų78.73%0.03139%0.387CS..Hα-helixtrans-79.2-23.1-178.7-68.1176.7000113L12 I13 E14 Y18 M48 V51 H90 E123 L127L12-L16 HydrophobicContact CD1-CD1 3.81Å; L12-L16 HydrophobicContact CD1-CG 4.15Å; L12-L16 HydrophobicContact CG-CD1 3.78Å; L12-L16 HydrophobicContact CG-CG 4.43Å; L12-L16 VanDerWaalsContact O-CB 3.28Å; L12-L16 WeakPolarHBondContact O-CB 3.47Å; L12-L16 VanDerWaalsContact O-CG 3.24Å; L12-L16 WeakPolarHBondContact O-CG 3.37Å; L12-L16 PolarHBondContact O-N 2.93Å; I13-L16 PolarHBondContact O-N 3.49Å; E14-L16 PolarHBondContact O-N 2.98Å; L16-Y18 PolarHBondContact O-N 3.26Å; L16-M48 HydrophobicContact CD2-SD 3.86Å; L16-V51 HydrophobicContact CD2-CG2 4.49Å; L16-H90 PolarHBondContact O-CE1 2.89Å; L16-H90 PolarHBondContact O-NE2 3.24Å; L16-E123 HydrophobicContact CD2-CB 4.38Å; L16-E123 HydrophobicContact CD2-CG 4.29Å; L16-L127 HydrophobicContact CB-CB 4.12Å; L16-L127 HydrophobicContact CB-CD1 3.9Å; L16-L127 HydrophobicContact CB-CG 4.44Å; L16-L127 HydrophobicContact CD1-CB 4.21Å
17S91.4Very high72.9Confident21 Ų2173.8 Ų73.815%0.14737%0.366CS..THydrogen-bonded Turntrans-78.8-3.7176.1-62.40000113.4I13 E14I13-S17 WeakPolarHBondContact O-CB 3.27Å; I13-S17 PolarHBondContact O-N 2.89Å; I13-S17 PolarHBondContact O-OG 3.4Å; E14-S17 PolarHBondContact O-N 3.04Å
18Y79Confident70.8Confident101 Ų10174.2 Ų74.240%0.39637%0.372SS..  trans-80117.2-175.9-168.3-93.6000111.9V15 L16 L23V15-Y18 WeakPolarHBondContact O-CB 3.43Å; L16-Y18 PolarHBondContact O-N 3.26Å; Y18-L23 HydrophobicContact CE1-CD2 4.19Å; Y18-L23 HydrophobicContact CE1-CG 4Å; Y18-L23 WeakPolarHBondContact OH-CD2 3.45Å; Y18-L23 VanDerWaalsContact OH-CG 3.32Å; Y18-L23 WeakPolarHBondContact OH-CG 3.47Å
19D66.3Low68.5Low18 Ų1877.2 Ų77.210%0.09638%0.383CS..  trans-86.6132.3170-169.5-17.1000109.8K21 D22 L94D19-K21 PolarHBondContact O-N 3.21Å; D19-K21 PolarHBondContact OD1-N 2.99Å; D19-D22 WeakPolarHBondContact O-CB 3.27Å; D19-D22 PolarHBondContact O-N 2.63Å; D19-L94 HydrophobicContact CB-CD1 4.05Å
20K58.3Low65.9Low151 Ų15182.7 Ų82.766%0.65741%0.405SS*.G310 helixtrans-59.7-25.5175.6-72.8-178.4-178.7173.60112.7D22 L23K20-D22 PolarHBondContact O-N 3.18Å; K20-L23 HydrophobicContact CB-CD1 4.36Å; K20-L23 WeakPolarHBondContact O-CB 3.45Å; K20-L23 WeakPolarHBondContact O-CD1 3.49Å; K20-L23 PolarHBondContact O-N 3.4Å
21K54.1Low63.7Low150 Ų15081.1 Ų81.165%0.65240%0.399SS*.G310 helixtrans-65.8-17.1175.7-69.9-176.8-179.9178.20113.1D19 L23D19-K21 PolarHBondContact O-N 3.21Å; D19-K21 PolarHBondContact OD1-N 2.99Å; K21-L23 VanDerWaalsContact C-N 3.29Å
22D50.8Low61.5Low106 Ų10680.8 Ų80.857%0.56740%0.399SS*.G310 helixtrans-85.52.5176.4-60.9-34.3000113.2D19 K20D19-D22 WeakPolarHBondContact O-CB 3.27Å; D19-D22 PolarHBondContact O-N 2.63Å; K20-D22 PolarHBondContact O-N 3.18Å
23L41.5Very low59.2Low27 Ų2782.3 Ų82.314%0.14141%0.412CS..SBendtrans-70.9131170.6-73.8158.8000109.5Y18 K20 K21 I25 L27Y18-L23 HydrophobicContact CE1-CD2 4.19Å; Y18-L23 HydrophobicContact CE1-CG 4Å; Y18-L23 WeakPolarHBondContact OH-CD2 3.45Å; Y18-L23 VanDerWaalsContact OH-CG 3.32Å; Y18-L23 WeakPolarHBondContact OH-CG 3.47Å; K20-L23 HydrophobicContact CB-CD1 4.36Å; K20-L23 WeakPolarHBondContact O-CB 3.45Å; K20-L23 WeakPolarHBondContact O-CD1 3.49Å; K20-L23 PolarHBondContact O-N 3.4Å; K21-L23 VanDerWaalsContact C-N 3.29Å; L23-I25 PolarHBondContact O-N 2.88Å; L23-L27 HydrophobicContact CB-CB 4.42Å; L23-L27 HydrophobicContact CD2-CB 3.66Å; L23-L27 HydrophobicContact CD2-CD1 4.32Å
24P33.1Very low56.6Low79 Ų7986.3 Ų86.351%0.51343%0.433SS..  trans-46.7134.1155.5-23.830.7000108.9E26 L27P24-E26 PolarHBondContact O-N 3.31Å; P24-L27 HydrophobicContact CG-CD1 4.11Å; P24-L27 PolarHBondContact O-N 2.95Å
25I42.7Very low54.4Low147 Ų14783.4 Ų83.475%0.75443%0.429SS*.Hα-helixtrans-47.8-30.4-176-63168.5000111.9L23 L27 S28L23-I25 PolarHBondContact O-N 2.88Å; I25-L27 PolarHBondContact O-N 3.26Å; I25-S28 PolarHBondContact O-OG 3.23Å
26E38.6Very low52.1Low154 Ų15487.8 Ų87.872%0.7245%0.447SS*.Hα-helixtrans-67.4-28.5177.4-66.5-170.9138.200115.2P24P24-E26 PolarHBondContact O-N 3.31Å
27L40.5Very low49.3Very low81 Ų8196.9 Ų96.942%0.42448%0.481SS..Hα-helixtrans-88.6-21.6-178.6-73.1167.2000112.9L23 P24 I25 T31L23-L27 HydrophobicContact CB-CB 4.42Å; L23-L27 HydrophobicContact CD2-CB 3.66Å; L23-L27 HydrophobicContact CD2-CD1 4.32Å; P24-L27 HydrophobicContact CG-CD1 4.11Å; P24-L27 PolarHBondContact O-N 2.95Å; I25-L27 PolarHBondContact O-N 3.26Å; L27-T31 WeakPolarHBondContact O-CB 3.47Å
28S47.8Very low46.8Very low41 Ų41104.6 Ų104.629%0.28751%0.514SS..Hα-helixtrans-71.2-35.7-175.167.10000113.1I25 I32I25-S28 PolarHBondContact O-OG 3.23Å; S28-I32 WeakPolarHBondContact O-CD1 3.37Å; S28-I32 WeakPolarHBondContact O-CG1 3.4Å
29E44.4Very low45Very low152 Ų152103.6 Ų103.671%0.7152%0.519SS*.Hα-helixtrans-98.3-48.2-177.5-66-175.3166.300113.1A33E29-A33 WeakPolarHBondContact O-CB 3.5Å; E29-A33 PolarHBondContact O-N 3.31Å; E29-A33 VanDerWaalsContact O-N 3.15Å
30K43.5Very low43.7Very low148 Ų148107.1 Ų107.164%0.64356%0.559SS**Hα-helixtrans-75-39.6-169.3-69.6178.9-179.8170.70113.2N34K30-N34 PolarHBondContact O-N 2.93Å; K30-N34 VanDerWaalsContact O-N 3.15Å
31T47.7Very low43.1Very low57 Ų57103.1 Ų103.135%0.3555%0.55SS..Hα-helixtrans-75-33.8-179.2-52.70000111.7L27 N34 S35L27-T31 WeakPolarHBondContact O-CB 3.47Å; T31-N34 PolarHBondContact O-N 3.16Å; T31-S35 WeakPolarHBondContact O-CB 3.05Å; T31-S35 PolarHBondContact O-N 3.33Å; T31-S35 PolarHBondContact O-OG 2.8Å
32I46.4Very low42.9Very low63 Ų63108.2 Ų108.232%0.32357%0.565SS.*Hα-helixtrans-67.1-45.2175.1-61.9-171.2000110.3S28 N34 S35 Q36S28-I32 WeakPolarHBondContact O-CD1 3.37Å; S28-I32 WeakPolarHBondContact O-CG1 3.4Å; I32-N34 VanDerWaalsContact C-N 3.28Å; I32-N34 PolarHBondContact O-N 3.44Å; I32-S35 PolarHBondContact O-N 2.8Å; I32-Q36 WeakPolarHBondContact O-CB 3.36Å; I32-Q36 VanDerWaalsContact O-CG 3.32Å; I32-Q36 WeakPolarHBondContact O-CG 3.27Å; I32-Q36 PolarHBondContact O-N 3.4Å
33A45.4Very low42.8Very low33 Ų33109.9 Ų109.927%0.27357%0.574SS.*Hα-helixtrans-59.8-38.2175.600000112.3E29 Q36 R37E29-A33 WeakPolarHBondContact O-CB 3.5Å; E29-A33 PolarHBondContact O-N 3.31Å; E29-A33 VanDerWaalsContact O-N 3.15Å; A33-Q36 PolarHBondContact O-N 3.23Å; A33-R37 WeakPolarHBondContact O-CB 3.39Å; A33-R37 WeakPolarHBondContact O-CG 3.12Å; A33-R37 PolarHBondContact O-N 3.11Å
34N41.1Very low43.5Very low96 Ų96111 Ų11151%0.51359%0.587SS.*Hα-helixtrans-74.1-33.9178.5-76.3-16.3000113.4K30 T31 I32 Q36 R37 Q38K30-N34 PolarHBondContact O-N 2.93Å; K30-N34 VanDerWaalsContact O-N 3.15Å; T31-N34 PolarHBondContact O-N 3.16Å; I32-N34 VanDerWaalsContact C-N 3.28Å; I32-N34 PolarHBondContact O-N 3.44Å; N34-Q36 VanDerWaalsContact C-N 3.3Å; N34-R37 PolarHBondContact O-N 2.55Å; N34-Q38 PolarHBondContact O-N 2.89Å
35S45.6Very low45Very low82 Ų82112.7 Ų112.757%0.57359%0.586SS**Hα-helixtrans-66.4-34.6172.6-51.70000111.5T31 I32T31-S35 WeakPolarHBondContact O-CB 3.05Å; T31-S35 PolarHBondContact O-N 3.33Å; T31-S35 PolarHBondContact O-OG 2.8Å; I32-S35 PolarHBondContact O-N 2.8Å
36Q42.9Very low46.4Very low131 Ų131111.2 Ų111.261%0.61258%0.579SS**Hα-helixtrans-76.5-32.8175.5-71.1175.5-10.500112.8I32 A33 N34 V39I32-Q36 WeakPolarHBondContact O-CB 3.36Å; I32-Q36 VanDerWaalsContact O-CG 3.32Å; I32-Q36 WeakPolarHBondContact O-CG 3.27Å; I32-Q36 PolarHBondContact O-N 3.4Å; A33-Q36 PolarHBondContact O-N 3.23Å; N34-Q36 VanDerWaalsContact C-N 3.3Å; Q36-V39 PolarHBondContact O-N 3.49Å
37R34.8Very low47.9Very low197 Ų197108.2 Ų108.274%0.74357%0.567SS**Hα-helixtrans-73.7-24.7-178.8-80173.8-179.5-172.70.5114.4A33 N34 V39A33-R37 WeakPolarHBondContact O-CB 3.39Å; A33-R37 WeakPolarHBondContact O-CG 3.12Å; A33-R37 PolarHBondContact O-N 3.11Å; N34-R37 PolarHBondContact O-N 2.55Å; R37-V39 PolarHBondContact O-N 3.34Å
38Q38.7Very low49.7Very low183 Ų183104.7 Ų104.786%0.85555%0.548SS*.THydrogen-bonded Turntrans-76.8-2.8176.1-78.6-162.3-12.500114.4N34N34-Q38 PolarHBondContact O-N 2.89Å
39V41.6Very low51.1Low80 Ų80111.6 Ų111.649%0.48557%0.568SS.*  trans-120.482.2176.8-161.10000110.4Q36 R37 S41 A44Q36-V39 PolarHBondContact O-N 3.49Å; R37-V39 PolarHBondContact O-N 3.34Å; V39-S41 PolarHBondContact O-N 3.27Å; V39-A44 HydrophobicContact CB-CB 3.9Å; V39-A44 HydrophobicContact CG1-CB 3.46Å; V39-A44 VanDerWaalsContact CG1-CB 3.46Å
40G39.4Very low52.9Low91 Ų91106.9 Ų106.994%0.93856%0.561SS**  trans-69.539.6176.700000115.6
41S45.2Very low55.2Low67 Ų67100.1 Ų100.147%0.46953%0.532SS..  trans-125.7125.7171.8-178.30000109.1V39 N43 A44V39-S41 PolarHBondContact O-N 3.27Å; S41-N43 PolarHBondContact O-N 3.3Å; S41-A44 PolarHBondContact O-N 3.04Å
42R48.5Very low57.4Low257 Ų257100.9 Ų100.997%0.9754%0.536SS*.THydrogen-bonded Turntrans-55-5.8175.6-79.6-179.6172.3173.2-2.9114.1
43N49.4Very low59.7Low141 Ų141100.7 Ų100.775%0.75453%0.534SS*.THydrogen-bonded Turntrans-114.518.7-179.9-65.2-25.3000114.3S41 K45S41-N43 PolarHBondContact O-N 3.3Å; N43-K45 PolarHBondContact O-N 2.79Å
44A56.8Low62.2Low50 Ų50104.1 Ų104.141%0.41355%0.545SS..  trans-61121.9177.100000111.6V39 S41V39-A44 HydrophobicContact CB-CB 3.9Å; V39-A44 HydrophobicContact CG1-CB 3.46Å; V39-A44 VanDerWaalsContact CG1-CB 3.46Å; S41-A44 PolarHBondContact O-N 3.04Å
45K63.8Low64.8Low115 Ų115101.4 Ų101.450%0.553%0.529SS..  trans-70.4132.7177.1-60.5-171.8-179.2172.30110.3N43 L47 R163 R164 Y165N43-K45 PolarHBondContact O-N 2.79Å; K45-L47 HydrophobicContact CB-CD2 3.94Å; K45-L47 PolarHBondContact O-N 3.12Å; K45-R163 WeakPolarHBondContact CD-O 3.17Å; K45-R163 VanDerWaalsContact CG-O 3.23Å; K45-R163 WeakPolarHBondContact CG-O 3.46Å; K45-R164 VanDerWaalsContact CD-O 3.26Å; K45-R164 WeakPolarHBondContact CD-O 3.44Å; K45-Y165 PolarHBondContact NZ-O 3.08Å
46I71.9Confident67.3Low116 Ų11697.5 Ų97.560%0.59550%0.502SS*.  trans-82.394.4171.8-56.8174.4000108.2R164I46-R164 VanDerWaalsContact O-CG 3.31Å; I46-R164 WeakPolarHBondContact O-CG 3.37Å; I46-R164 PolarHBondContact O-NE 2.74Å
47L70.7Confident70Confident91 Ų9191.6 Ų91.648%0.47647%0.474SS..PPolyproline II helixtrans-76.2162178.6-54-173000111.9K45 R164 Y165K45-L47 HydrophobicContact CB-CD2 3.94Å; K45-L47 PolarHBondContact O-N 3.12Å; L47-R164 WeakPolarHBondContact CD2-O 3.42Å; L47-Y165 HydrophobicContact CD2-CD1 4.19Å; L47-Y165 HydrophobicContact CD2-CE1 3.99Å
48M79.2Confident73Confident7 Ų784.4 Ų84.43%0.03445%0.45CS..PPolyproline II helixtrans-64.4135159.6-66.7-174.1-73.500108.1L16 G50 V51 L56 L122 E123 Y165L16-M48 HydrophobicContact CD2-SD 3.86Å; M48-G50 PolarHBondContact O-N 3.45Å; M48-G50 VanDerWaalsContact O-N 3.16Å; M48-V51 HydrophobicContact CB-CB 3.99Å; M48-V51 HydrophobicContact CB-CG2 4.17Å; M48-V51 HydrophobicContact CE-CB 4.45Å; M48-V51 HydrophobicContact CE-CG1 4.21Å; M48-V51 PolarHBondContact O-N 2.76Å; M48-L56 HydrophobicContact CE-CD1 3.35Å; M48-L56 HydrophobicContact CE-CD2 3.53Å; M48-L56 HydrophobicContact CE-CG 4.01Å; M48-L122 HydrophobicContact CE-CB 3.86Å; M48-L122 HydrophobicContact SD-CB 3.88Å; M48-E123 HydrophobicContact CG-CG 4.03Å; M48-E123 WeakPolarHBondContact CG-OE1 3.23Å; M48-E123 HydrophobicContact SD-CB 4.27Å; M48-E123 HydrophobicContact SD-CG 3.63Å; M48-Y165 WeakPolarHBondContact CB-OH 3.39Å; M48-Y165 HydrophobicContact CE-CE2 3.96Å; M48-Y165 HydrophobicContact CG-CE2 4.48Å; M48-Y165 PolarHBondContact N-OH 3.23Å
49R76.3Confident75.8Confident186 Ų18675.7 Ų75.770%0.70241%0.41SS*.THydrogen-bonded Turntrans-61.4121-174.4-177-178.5-179.1-175-1109.4V15 V51V15-R49 WeakPolarHBondContact CG1-O 3.46Å; R49-V51 PolarHBondContact O-N 2.85Å
50G82Confident78.5Confident54 Ų5471.9 Ų71.956%0.55739%0.387SS*.THydrogen-bonded Turntrans72.54.4175.200000115.7M48M48-G50 PolarHBondContact O-N 3.45Å; M48-G50 VanDerWaalsContact O-N 3.16Å
51V91.2Very high81.4Confident5 Ų571.9 Ų71.93%0.0336%0.362CS..  trans-109.1115179.5-172.10000110.3L12 V15 L16 M48 R49 Q55 L56 Y165L12-V51 HydrophobicContact CD1-CB 4.46Å; L12-V51 HydrophobicContact CD1-CG1 3.73Å; L12-V51 HydrophobicContact CD1-CG2 3.84Å; V15-V51 HydrophobicContact CG1-CG2 3.72Å; L16-V51 HydrophobicContact CD2-CG2 4.49Å; M48-V51 HydrophobicContact CB-CB 3.99Å; M48-V51 HydrophobicContact CB-CG2 4.17Å; M48-V51 HydrophobicContact CE-CB 4.45Å; M48-V51 HydrophobicContact CE-CG1 4.21Å; M48-V51 PolarHBondContact O-N 2.76Å; R49-V51 PolarHBondContact O-N 2.85Å; V51-Q55 HydrophobicContact CG1-CB 4.42Å; V51-L56 HydrophobicContact CG1-CD1 4.31Å; V51-L56 HydrophobicContact CG1-CD2 3.67Å; V51-L56 HydrophobicContact CG1-CG 3.8Å; V51-Y165 WeakPolarHBondContact O-CE1 3.12Å; V51-Y165 PolarHBondContact O-OH 3.46Å
52T94.1Very high83.9Confident73 Ų7371.2 Ų71.245%0.44836%0.357SS..  trans-78.8158.217966.50000111.8Q54 Q55 L56T52-Q54 PolarHBondContact O-N 2.99Å; T52-Q55 PolarHBondContact O-N 2.95Å; T52-Q55 VanDerWaalsContact OG1-CG 3.31Å; T52-Q55 WeakPolarHBondContact OG1-CG 3.42Å; T52-Q55 PolarHBondContact OG1-N 3.48Å; T52-Q55 PolarHBondContact OG1-OE1 3.08Å; T52-L56 PolarHBondContact O-N 3.42Å
53E95.9Very high86.3Confident60 Ų6059 Ų5928%0.2831%0.311SS..Hα-helixtrans-60.6-38173.4-167.8170.9154.400111.7Q55 L56 L57 Y165 S166 L169E53-Q55 PolarHBondContact O-N 3.32Å; E53-L56 PolarHBondContact O-N 3.32Å; E53-L57 HydrophobicContact CG-CD1 4.18Å; E53-L57 HydrophobicContact CG-CG 4.36Å; E53-L57 VanDerWaalsContact O-CG 3.31Å; E53-L57 WeakPolarHBondContact O-CG 3.38Å; E53-L57 PolarHBondContact O-N 3.16Å; E53-Y165 HydrophobicContact CB-CD1 3.8Å; E53-Y165 HydrophobicContact CB-CE1 4.44Å; E53-Y165 HydrophobicContact CG-CD1 4.19Å; E53-S166 VanDerWaalsContact OE1-CB 3.27Å; E53-S166 WeakPolarHBondContact OE1-CB 3.32Å; E53-S166 PolarHBondContact OE1-OG 3.05Å; E53-L169 HydrophobicContact CG-CB 4.5Å
54Q96.5Very high88.6Confident105 Ų10556.5 Ų56.549%0.49129%0.291SS..Hα-helixtrans-62.1-44.6-179.4-172.356.15100111.6T52 L56 L57 D58T52-Q54 PolarHBondContact O-N 2.99Å; Q54-L56 VanDerWaalsContact C-N 3.27Å; Q54-L56 PolarHBondContact O-N 3.33Å; Q54-L57 PolarHBondContact O-N 3.27Å; Q54-D58 PolarHBondContact NE2-OD1 2.86Å; Q54-D58 PolarHBondContact NE2-OD2 3.1Å; Q54-D58 VanDerWaalsContact O-CG 3.26Å; Q54-D58 PolarHBondContact O-N 3.03Å; Q54-D58 VanDerWaalsContact O-OD2 3.14Å
55Q96.8Very high90.6Very high39 Ų3957 Ų5718%0.18230%0.296CS..Hα-helixtrans-58.1-38.8174.8-74.5165-57.600112.5L7 V51 T52 E53 L59L7-Q55 HydrophobicContact CD1-CB 4.08Å; L7-Q55 HydrophobicContact CD1-CG 4.24Å; V51-Q55 HydrophobicContact CG1-CB 4.42Å; T52-Q55 PolarHBondContact O-N 2.95Å; T52-Q55 VanDerWaalsContact OG1-CG 3.31Å; T52-Q55 WeakPolarHBondContact OG1-CG 3.42Å; T52-Q55 PolarHBondContact OG1-N 3.48Å; T52-Q55 PolarHBondContact OG1-OE1 3.08Å; E53-Q55 PolarHBondContact O-N 3.32Å; Q55-L59 VanDerWaalsContact O-CB 3.25Å; Q55-L59 WeakPolarHBondContact O-CB 3.43Å; Q55-L59 PolarHBondContact O-N 3.42Å
56L98Very high92.3Very high0 Ų053.3 Ų53.30%028%0.281CS..Hα-helixtrans-72.3-37.3178.2-60.9172.6000112.5M48 V51 T52 E53 Q54 L59 A60 S126 Y165 L169 F173M48-L56 HydrophobicContact CE-CD1 3.35Å; M48-L56 HydrophobicContact CE-CD2 3.53Å; M48-L56 HydrophobicContact CE-CG 4.01Å; V51-L56 HydrophobicContact CG1-CD1 4.31Å; V51-L56 HydrophobicContact CG1-CD2 3.67Å; V51-L56 HydrophobicContact CG1-CG 3.8Å; T52-L56 PolarHBondContact O-N 3.42Å; E53-L56 PolarHBondContact O-N 3.32Å; Q54-L56 VanDerWaalsContact C-N 3.27Å; Q54-L56 PolarHBondContact O-N 3.33Å; L56-L59 PolarHBondContact O-N 3.26Å; L56-A60 WeakPolarHBondContact O-CB 3.47Å; L56-A60 PolarHBondContact O-N 3.33Å; L56-S126 WeakPolarHBondContact CD2-OG 3.32Å; L56-Y165 HydrophobicContact CD1-CD1 4.37Å; L56-Y165 HydrophobicContact CD1-CD2 4.05Å; L56-Y165 HydrophobicContact CD1-CE1 4.01Å; L56-Y165 HydrophobicContact CD1-CE2 3.7Å; L56-Y165 HydrophobicContact CD1-CG 4.37Å; L56-L169 HydrophobicContact CB-CD1 3.61Å; L56-L169 HydrophobicContact CB-CD2 4.34Å; L56-L169 HydrophobicContact CD1-CD2 3.73Å; L56-F173 HydrophobicContact CB-CE2 4.45Å
57L98.5Very high93.5Very high6 Ų647.8 Ų47.83%0.03125%0.252CS..Hα-helixtrans-62.1-47.6173.1-68.8169.9000110.5E53 Q54 L59 A60 H61 L169 V172E53-L57 HydrophobicContact CG-CD1 4.18Å; E53-L57 HydrophobicContact CG-CG 4.36Å; E53-L57 VanDerWaalsContact O-CG 3.31Å; E53-L57 WeakPolarHBondContact O-CG 3.38Å; E53-L57 PolarHBondContact O-N 3.16Å; Q54-L57 PolarHBondContact O-N 3.27Å; L57-L59 VanDerWaalsContact C-N 3.33Å; L57-L59 PolarHBondContact O-N 3.44Å; L57-A60 PolarHBondContact O-N 2.81Å; L57-H61 WeakPolarHBondContact O-CB 3.31Å; L57-H61 PolarHBondContact O-CD2 3.41Å; L57-H61 PolarHBondContact O-N 3.34Å; L57-L169 HydrophobicContact CD2-CD1 3.9Å; L57-L169 HydrophobicContact CG-CD1 4.13Å; L57-V172 HydrophobicContact CD2-CB 3.88Å; L57-V172 HydrophobicContact CD2-CG1 4.12Å; L57-V172 HydrophobicContact CD2-CG2 3.69Å
58D98.2Very high94.8Very high46 Ų4647 Ų4725%0.24625%0.247CC..Hα-helixtrans-65-38.2179.4-64.9-29.1000111.6L7 Q54 S62L7-D58 HydrophobicContact CD1-CB 4.49Å; Q54-D58 PolarHBondContact NE2-OD1 2.86Å; Q54-D58 PolarHBondContact NE2-OD2 3.1Å; Q54-D58 VanDerWaalsContact O-CG 3.26Å; Q54-D58 PolarHBondContact O-N 3.03Å; Q54-D58 VanDerWaalsContact O-OD2 3.14Å; D58-S62 VanDerWaalsContact O-CB 3.3Å; D58-S62 WeakPolarHBondContact O-CB 3.48Å; D58-S62 PolarHBondContact O-N 3.11Å; D58-S62 PolarHBondContact O-OG 2.62Å
59L98.5Very high95.7Very high0 Ų051 Ų510%028%0.276CS..Hα-helixtrans-58.7-54.5173.1-178.775.6000111.4L7 L9 L12 Q55 L56 L57 H61 S62 A63 L129 A130 L133L7-L59 HydrophobicContact CD2-CB 3.97Å; L7-L59 HydrophobicContact CD2-CD1 3.99Å; L9-L59 HydrophobicContact CD2-CD1 4.02Å; L12-L59 HydrophobicContact CD2-CD1 3.85Å; L12-L59 HydrophobicContact CD2-CD2 3.96Å; L12-L59 HydrophobicContact CD2-CG 4.36Å; Q55-L59 VanDerWaalsContact O-CB 3.25Å; Q55-L59 WeakPolarHBondContact O-CB 3.43Å; Q55-L59 PolarHBondContact O-N 3.42Å; L56-L59 PolarHBondContact O-N 3.26Å; L57-L59 VanDerWaalsContact C-N 3.33Å; L57-L59 PolarHBondContact O-N 3.44Å; L59-H61 PolarHBondContact O-N 2.96Å; L59-S62 PolarHBondContact O-N 2.94Å; L59-A63 WeakPolarHBondContact O-CB 3.15Å; L59-A63 PolarHBondContact O-N 2.85Å; L59-L129 HydrophobicContact CD1-CB 4.23Å; L59-L129 HydrophobicContact CD2-CB 4.07Å; L59-L129 HydrophobicContact CG-CB 4.07Å; L59-A130 HydrophobicContact CD1-CB 4.08Å; L59-L133 HydrophobicContact CD1-CD1 3.61Å; L59-L133 HydrophobicContact CG-CD1 4.43Å
60A98.8Very high96.8Very high0 Ų044 Ų440%025%0.252CS..Hα-helixtrans-66.1-37-178.100000112.2L56 L57 R64 V172 F173 C176L56-A60 WeakPolarHBondContact O-CB 3.47Å; L56-A60 PolarHBondContact O-N 3.33Å; L57-A60 PolarHBondContact O-N 2.81Å; A60-R64 VanDerWaalsContact O-CB 3.24Å; A60-R64 WeakPolarHBondContact O-CB 3.21Å; A60-R64 PolarHBondContact O-N 2.99Å; A60-V172 HydrophobicContact CB-CG1 3.79Å; A60-F173 HydrophobicContact CB-CD1 4.08Å; A60-F173 HydrophobicContact CB-CE1 4.15Å; A60-F173 HydrophobicContact CB-CG 4.4Å; A60-C176 HydrophobicContact CB-CB 4.41Å
61H98.5Very high97.5Very high92 Ų9244.5 Ų44.543%0.42625%0.245SC..Hα-helixtrans-64.6-42.4174-76.4-48.6000112.6L57 L59 R64 A65L57-H61 WeakPolarHBondContact O-CB 3.31Å; L57-H61 PolarHBondContact O-CD2 3.41Å; L57-H61 PolarHBondContact O-N 3.34Å; L59-H61 PolarHBondContact O-N 2.96Å; H61-R64 WeakPolarHBondContact O-CB 3.35Å; H61-A65 PolarHBondContact O-N 2.99Å
62S98.5Very high97.9Very high52 Ų5244.6 Ų44.636%0.36425%0.245SC..Hα-helixtrans-67.3-45.3177.7-57.60000111.2D58 L59 R64 A65 L66D58-S62 VanDerWaalsContact O-CB 3.3Å; D58-S62 WeakPolarHBondContact O-CB 3.48Å; D58-S62 PolarHBondContact O-N 3.11Å; D58-S62 PolarHBondContact O-OG 2.62Å; L59-S62 PolarHBondContact O-N 2.94Å; S62-R64 VanDerWaalsContact C-N 3.33Å; S62-R64 PolarHBondContact O-N 3.2Å; S62-A65 PolarHBondContact O-N 3.3Å; S62-L66 PolarHBondContact O-N 2.8Å
63A98.7Very high98.1Very high0 Ų041.4 Ų41.40%023%0.225CC..Hα-helixtrans-61.1-42.4177.100000111.5L59 A65 L66 F67 L129 L133L59-A63 WeakPolarHBondContact O-CB 3.15Å; L59-A63 PolarHBondContact O-N 2.85Å; A63-A65 VanDerWaalsContact C-N 3.32Å; A63-A65 PolarHBondContact O-N 2.98Å; A63-L66 PolarHBondContact O-N 2.8Å; A63-F67 HydrophobicContact CB-CD2 4.32Å; A63-F67 HydrophobicContact CB-CE2 3.9Å; A63-F67 WeakPolarHBondContact O-CD2 3.13Å; A63-F67 WeakPolarHBondContact O-CG 3.37Å; A63-F67 PolarHBondContact O-N 2.89Å; A63-L129 HydrophobicContact CB-CB 4.35Å; A63-L129 HydrophobicContact CB-CD1 3.94Å; A63-L129 HydrophobicContact CB-CD2 3.95Å; A63-L129 HydrophobicContact CB-CG 4.29Å; A63-L133 HydrophobicContact CB-CD1 4.16Å; A63-L133 HydrophobicContact CB-CG 4.41Å
64R98.6Very high98.2Very high90 Ų9039 Ų3934%0.3422%0.215SC..Hα-helixtrans-54.7-47173.6-175.6-174.2172.7-80.3-2112A60 H61 S62 M68 C176 C179A60-R64 VanDerWaalsContact O-CB 3.24Å; A60-R64 WeakPolarHBondContact O-CB 3.21Å; A60-R64 PolarHBondContact O-N 2.99Å; H61-R64 WeakPolarHBondContact O-CB 3.35Å; S62-R64 VanDerWaalsContact C-N 3.33Å; S62-R64 PolarHBondContact O-N 3.2Å; R64-M68 WeakPolarHBondContact O-CB 3.46Å; R64-M68 VanDerWaalsContact O-CG 3.27Å; R64-M68 WeakPolarHBondContact O-CG 3.42Å; R64-M68 PolarHBondContact O-N 3.18Å; R64-M68 VanDerWaalsContact O-N 3.08Å; R64-C176 HydrophobicContact CB-CB 4.18Å; R64-C179 HydrophobicContact CG-CB 4.3Å; R64-C179 WeakPolarHBondContact CG-SG 3.22Å
65A98.2Very high98.3Very high61 Ų6139.5 Ų39.550%0.50422%0.217SC..Hα-helixtrans-63.6-42.1179.100000111.8H61 S62 A63 M68 S69H61-A65 PolarHBondContact O-N 2.99Å; S62-A65 PolarHBondContact O-N 3.3Å; A63-A65 VanDerWaalsContact C-N 3.32Å; A63-A65 PolarHBondContact O-N 2.98Å; A65-M68 PolarHBondContact O-N 2.76Å; A65-S69 PolarHBondContact O-N 2.85Å
66L98.6Very high98.3Very high36 Ų3638.4 Ų38.419%0.18821%0.212CC..Hα-helixtrans-61.9-51.5175.5179.461.5000111.7S62 A63 M68 S69 E70 K132 L133 P136S62-L66 PolarHBondContact O-N 2.8Å; A63-L66 PolarHBondContact O-N 2.8Å; L66-M68 VanDerWaalsContact C-N 3.26Å; L66-M68 PolarHBondContact O-N 3.02Å; L66-S69 WeakPolarHBondContact O-CA 3.22Å; L66-S69 WeakPolarHBondContact O-CB 3.36Å; L66-S69 PolarHBondContact O-N 2.82Å; L66-S69 PolarHBondContact O-OG 2.9Å; L66-E70 PolarHBondContact O-N 3.41Å; L66-K132 HydrophobicContact CD2-CD 4.22Å; L66-K132 HydrophobicContact CD2-CG 3.93Å; L66-L133 HydrophobicContact CB-CD2 4.22Å; L66-L133 HydrophobicContact CD2-CD2 3.97Å; L66-P136 HydrophobicContact CD1-CB 4.24Å; L66-P136 HydrophobicContact CD2-CB 4.15Å
67F98.7Very high98.3Very high0 Ų042.9 Ų42.90%024%0.236CC..Hα-helixtrans-62.4-33.2-179.1-64.9-49.6000113.2A63 S69 E70 L129 K132 V141 C179 L180 R212A63-F67 HydrophobicContact CB-CD2 4.32Å; A63-F67 HydrophobicContact CB-CE2 3.9Å; A63-F67 WeakPolarHBondContact O-CD2 3.13Å; A63-F67 WeakPolarHBondContact O-CG 3.37Å; A63-F67 PolarHBondContact O-N 2.89Å; F67-S69 PolarHBondContact O-N 2.85Å; F67-E70 WeakPolarHBondContact CD1-OE2 3.46Å; F67-E70 PolarHBondContact O-N 2.95Å; F67-L129 HydrophobicContact CE2-CD2 3.58Å; F67-L129 HydrophobicContact CZ-CD2 3.61Å; F67-K132 HydrophobicContact CE1-CD 4.41Å; F67-K132 HydrophobicContact CE1-CG 3.93Å; F67-K132 HydrophobicContact CZ-CG 4.1Å; F67-V141 HydrophobicContact CE1-CB 3.99Å; F67-V141 HydrophobicContact CE1-CG2 4.42Å; F67-V141 HydrophobicContact CZ-CB 4.02Å; F67-V141 HydrophobicContact CZ-CG1 4.36Å; F67-V141 HydrophobicContact CZ-CG2 4.38Å; F67-C179 HydrophobicContact CB-CB 4.11Å; F67-C179 WeakPolarHBondContact CB-O 3.28Å; F67-L180 HydrophobicContact CD1-CD2 4.18Å; F67-L180 HydrophobicContact CD2-CD2 3.83Å; F67-L180 HydrophobicContact CE1-CD2 3.88Å; F67-L180 HydrophobicContact CE2-CD2 3.49Å; F67-L180 VanDerWaalsContact CE2-CD2 3.49Å; F67-L180 HydrophobicContact CE2-CG 4.48Å; F67-L180 HydrophobicContact CG-CD2 4.18Å; F67-L180 HydrophobicContact CZ-CD2 3.53Å; F67-R212 PolarHBondContact O-NH2 3.05Å
68M98.2Very high98.3Very high74 Ų7443.7 Ų43.737%0.36524%0.242SC..Hα-helixtrans-64.3-24.1172.8-78.5-64.6-57.500113.5R64 A65 L66 C179 R212R64-M68 WeakPolarHBondContact O-CB 3.46Å; R64-M68 VanDerWaalsContact O-CG 3.27Å; R64-M68 WeakPolarHBondContact O-CG 3.42Å; R64-M68 PolarHBondContact O-N 3.18Å; R64-M68 VanDerWaalsContact O-N 3.08Å; A65-M68 PolarHBondContact O-N 2.76Å; L66-M68 VanDerWaalsContact C-N 3.26Å; L66-M68 PolarHBondContact O-N 3.02Å; M68-C179 HydrophobicContact CG-CB 3.97Å; M68-C179 HydrophobicContact SD-CB 4.02Å; M68-C179 VanDerWaalsContact SD-SG 3.67Å; M68-R212 WeakPolarHBondContact CE-O 3.29Å; M68-R212 HydrophobicContact SD-CB 4.16Å
69S97.9Very high98.2Very high93 Ų9343.9 Ų43.965%0.6525%0.246SC*.Hα-helixtrans-84.2-17.5175.776.30000113.6A65 L66 F67A65-S69 PolarHBondContact O-N 2.85Å; L66-S69 WeakPolarHBondContact O-CA 3.22Å; L66-S69 WeakPolarHBondContact O-CB 3.36Å; L66-S69 PolarHBondContact O-N 2.82Å; L66-S69 PolarHBondContact O-OG 2.9Å; F67-S69 PolarHBondContact O-N 2.85Å
70E98.1Very high98.2Very high39 Ų3944 Ų4418%0.18225%0.247CC..SBendtrans-83160.4178.2-63.8-173.3138.900111.2L66 F67 V74 K132 R212L66-E70 PolarHBondContact O-N 3.41Å; F67-E70 WeakPolarHBondContact CD1-OE2 3.46Å; F67-E70 PolarHBondContact O-N 2.95Å; E70-V74 HydrophobicContact CB-CG1 4.5Å; E70-K132 VanDerWaalsContact OE1-CE 3.28Å; E70-K132 WeakPolarHBondContact OE1-CE 3.41Å; E70-K132 IonicContact OE1-NZ 3.88Å; E70-K132 PolarHBondContact OE1-NZ 2.99Å; E70-K132 IonicContact OE2-NZ 3.96Å; E70-R212 PolarHBondContact O-NH2 3Å
71P97.9Very high98.2Very high64 Ų6444.1 Ų44.142%0.41625%0.247SC..  trans-73.8165.2168.331.4-36.5000112L73 V74P71-L73 WeakPolarHBondContact CB-O 3.07Å; P71-L73 WeakPolarHBondContact CG-O 3.35Å; P71-V74 HydrophobicContact CG-CG1 4.26Å
72V98.4Very high98.3Very high7 Ų739.7 Ų39.74%0.04223%0.227CC..SBendtrans-68.5-37.7172.41750000111.3L182 A183 L207 I210 R212V72-L182 HydrophobicContact CG1-CB 3.87Å; V72-L182 HydrophobicContact CG1-CD1 3.84Å; V72-L182 HydrophobicContact CG1-CG 3.97Å; V72-L182 PolarHBondContact O-N 3.1Å; V72-A183 PolarHBondContact O-N 2.72Å; V72-L207 VanDerWaalsContact CB-O 3.31Å; V72-L207 WeakPolarHBondContact CB-O 3.36Å; V72-L207 HydrophobicContact CG1-CB 4.28Å; V72-I210 HydrophobicContact CG1-CB 4.3Å; V72-I210 HydrophobicContact CG1-CD1 4.3Å; V72-I210 HydrophobicContact CG2-CB 4.15Å; V72-I210 HydrophobicContact CG2-CG2 4.37Å; V72-I210 WeakPolarHBondContact CG2-O 3.36Å; V72-R212 HydrophobicContact CG2-CG 4.3Å
73L98.7Very high98.3Very high5 Ų537.2 Ų37.23%0.02621%0.21CC..EExtended strand (participates in β ladder)trans-100.5106.1170178.565000108.9P71 A183 L185 F191 L204 L207P71-L73 WeakPolarHBondContact CB-O 3.07Å; P71-L73 WeakPolarHBondContact CG-O 3.35Å; L73-A183 WeakPolarHBondContact CA-O 3.32Å; L73-A183 HydrophobicContact CD1-CB 3.79Å; L73-L185 HydrophobicContact CD1-CB 4.13Å; L73-L185 HydrophobicContact CG-CB 4.45Å; L73-F191 HydrophobicContact CD1-CE2 4.35Å; L73-L204 HydrophobicContact CD2-CB 4.04Å; L73-L204 HydrophobicContact CD2-CD1 4.48Å; L73-L207 HydrophobicContact CB-CB 4.19Å; L73-L207 HydrophobicContact CB-CD1 4.1Å; L73-L207 HydrophobicContact CD1-CD1 3.99Å; L73-L207 HydrophobicContact CD2-CD1 4.36Å; L73-L207 HydrophobicContact CG-CD1 4.38Å
74V98.3Very high98.3Very high10 Ų1037.2 Ų37.26%0.06121%0.21CC..EExtended strand (participates in β ladder)trans-85.5138.9178.5-63.40000111.1E70 P71 I76 A140 L142 P181 A183 A184 L185E70-V74 HydrophobicContact CB-CG1 4.5Å; P71-V74 HydrophobicContact CG-CG1 4.26Å; V74-I76 HydrophobicContact CG2-CD1 4.07Å; V74-I76 HydrophobicContact CG2-CG1 4.31Å; V74-A140 HydrophobicContact CG2-CB 4.16Å; V74-L142 HydrophobicContact CG2-CD2 3.96Å; V74-P181 HydrophobicContact CG1-CB 3.86Å; V74-P181 HydrophobicContact CG1-CG 3.8Å; V74-A183 PolarHBondContact N-O 3.08Å; V74-A184 HydrophobicContact CG2-CB 3.56Å; V74-A184 CarbonylContact O-C 3.43Å; V74-A184 WeakPolarHBondContact O-CA 3.2Å; V74-L185 PolarHBondContact O-N 3.24Å
75H98.2Very high98.3Very high115 Ų11533 Ų3353%0.53219%0.194SC..EExtended strand (participates in β ladder)trans-100.5130.2176.6-70.6-102000110.1
76I97.8Very high98.3Very high16 Ų1630.1 Ų30.18%0.08217%0.17CC..EExtended strand (participates in β ladder)trans-137.2141.6-174.8-49.2171.1000108.8V74 L80 K107 L109 A140 A184 L185 V186 D187V74-I76 HydrophobicContact CG2-CD1 4.07Å; V74-I76 HydrophobicContact CG2-CG1 4.31Å; I76-L80 HydrophobicContact CG2-CD1 4.03Å; I76-K107 HydrophobicContact CG2-CD 3.53Å; I76-L109 HydrophobicContact CD1-CB 4.27Å; I76-L109 HydrophobicContact CD1-CD1 3.84Å; I76-L109 HydrophobicContact CD1-CD2 4.27Å; I76-L109 HydrophobicContact CD1-CG 4.35Å; I76-A140 HydrophobicContact CD1-CB 3.23Å; I76-A140 HydrophobicContact CG1-CB 4.23Å; I76-A184 HydrophobicContact CD1-CB 3.94Å; I76-L185 PolarHBondContact N-O 2.88Å; I76-V186 HydrophobicContact CB-CG2 4.38Å; I76-V186 CarbonylContact O-C 3.53Å; I76-V186 VanDerWaalsContact O-CA 3.23Å; I76-V186 WeakPolarHBondContact O-CA 3.26Å; I76-D187 PolarHBondContact O-N 2.84Å
77N97.3Very high98.3Very high95 Ų9528.6 Ų28.651%0.50816%0.162SC..  trans-104.3150.5172.5-58-37.8000110.9K107 D187N77-K107 PolarHBondContact O-NZ 3.46Å; N77-D187 WeakPolarHBondContact CA-OD1 3.33Å
78S97.3Very high98.1Very high22 Ų2228.7 Ų28.715%0.15416%0.163CC..SBendtrans-63.9160.1163.652.80000111.9D187 N307S78-D187 WeakPolarHBondContact CB-OD2 3.47Å; S78-D187 PolarHBondContact N-OD1 3.43Å; S78-D187 VanDerWaalsContact OG-CG 3.26Å; S78-D187 PolarHBondContact OG-OD1 2.73Å; S78-D187 PolarHBondContact OG-OD2 3.13Å; S78-N307 VanDerWaalsContact CB-O 3.32Å; S78-N307 WeakPolarHBondContact CB-O 3.27Å
79P98Very high97.9Very high51 Ų5126.7 Ų26.733%0.33115%0.152SC..SBendcis-74.1147.5-4.532.3-33.5000112.2I306 E308P79-I306 CarbonylContact C-O 3.58Å; P79-I306 WeakPolarHBondContact CA-O 3.46Å; P79-I306 WeakPolarHBondContact CB-O 3.42Å; P79-E308 HydrophobicContact CB-CG 4.34Å; P79-E308 HydrophobicContact CG-CG 3.98Å
80L98.4Very high97.8Very high2 Ų222.5 Ų22.51%0.0112%0.123CC..EExtended strand (participates in β ladder)trans-157.3167.2177.275.8159.5000112.3I76 I82 K107 L109 V186 I306I76-L80 HydrophobicContact CG2-CD1 4.03Å; L80-I82 HydrophobicContact CD1-CG1 4.09Å; L80-I82 HydrophobicContact CG-CG1 4.39Å; L80-K107 CarbonylContact C-O 3.35Å; L80-K107 WeakPolarHBondContact CA-O 3.47Å; L80-K107 HydrophobicContact CB-CB 4.1Å; L80-K107 HydrophobicContact CB-CD 4.13Å; L80-K107 HydrophobicContact CB-CG 4.19Å; L80-L109 HydrophobicContact CD1-CB 3.78Å; L80-L109 HydrophobicContact CD1-CD2 4.31Å; L80-V186 HydrophobicContact CD1-CG1 4.39Å; L80-V186 HydrophobicContact CD1-CG2 3.92Å; L80-V186 HydrophobicContact CD2-CG1 3.63Å; L80-I306 HydrophobicContact CD2-CB 3.89Å; L80-I306 HydrophobicContact CD2-CD1 3.76Å; L80-I306 HydrophobicContact CD2-CG1 4.42Å; L80-I306 HydrophobicContact CD2-CG2 4.3Å; L80-I306 HydrophobicContact CG-CD1 4.24Å; L80-I306 PolarHBondContact N-O 2.85Å; L80-I306 PolarHBondContact O-N 2.7Å
81I98.8Very high97.6Very high2 Ų222.8 Ų22.81%0.0113%0.127CC..EExtended strand (participates in β ladder)trans-120.1123.6175.7-55.4176.1000108.5V83 C100 Q106 K107 Y108 L109 V303 M304 Q305I81-V83 HydrophobicContact CG2-CG2 4.44Å; I81-C100 HydrophobicContact CD1-CB 3.34Å; I81-Q106 HydrophobicContact CD1-CB 4.12Å; I81-Q106 HydrophobicContact CD1-CG 4.17Å; I81-K107 PolarHBondContact N-O 3.14Å; I81-Y108 HydrophobicContact CB-CD1 3.87Å; I81-Y108 HydrophobicContact CB-CE1 3.73Å; I81-Y108 HydrophobicContact CB-CG 4.46Å; I81-Y108 HydrophobicContact CD1-CE1 4.02Å; I81-Y108 HydrophobicContact CD1-CE2 4.24Å; I81-Y108 HydrophobicContact CG1-CE1 4.47Å; I81-Y108 HydrophobicContact CG2-CD1 4.05Å; I81-Y108 HydrophobicContact CG2-CE1 3.65Å; I81-Y108 CarbonylContact O-C 3.08Å; I81-Y108 VanDerWaalsContact O-CA 3.3Å; I81-Y108 WeakPolarHBondContact O-CA 3.15Å; I81-L109 PolarHBondContact O-N 3Å; I81-V303 HydrophobicContact CG2-CB 3.9Å; I81-V303 HydrophobicContact CG2-CG2 3.87Å; I81-M304 CarbonylContact C-O 3.52Å; I81-M304 WeakPolarHBondContact CA-O 3.07Å; I81-Q305 HydrophobicContact CG1-CG 4.26Å
82I98.9Very high97.4Very high0 Ų020.7 Ų20.70%011%0.113CC..EExtended strand (participates in β ladder)trans-97125.7177.6-52.5-176.6000109.1L80 L109 L111 M190 V266 V303 M304 I306L80-I82 HydrophobicContact CD1-CG1 4.09Å; L80-I82 HydrophobicContact CG-CG1 4.39Å; I82-L109 CarbonylContact C-O 3.54Å; I82-L109 VanDerWaalsContact CA-O 3.29Å; I82-L109 WeakPolarHBondContact CA-O 3.15Å; I82-L109 HydrophobicContact CD1-CD2 4.18Å; I82-L109 HydrophobicContact CG1-CB 4.28Å; I82-L109 HydrophobicContact CG1-CD2 4.15Å; I82-L109 HydrophobicContact CG2-CD2 4.41Å; I82-L109 HydrophobicContact CG2-CG 4.44Å; I82-L111 HydrophobicContact CG2-CD1 3.57Å; I82-L111 HydrophobicContact CG2-CD2 3.81Å; I82-L111 HydrophobicContact CG2-CG 3.61Å; I82-M190 HydrophobicContact CD1-SD 4.07Å; I82-V266 HydrophobicContact CD1-CB 4.4Å; I82-V266 HydrophobicContact CD1-CG1 4.11Å; I82-V266 HydrophobicContact CD1-CG2 4.35Å; I82-V266 HydrophobicContact CG2-CG1 4.13Å; I82-V303 WeakPolarHBondContact O-CA 3.33Å; I82-V303 WeakPolarHBondContact O-CB 3.49Å; I82-M304 HydrophobicContact CB-CB 4.29Å; I82-M304 HydrophobicContact CD1-SD 4.4Å; I82-M304 PolarHBondContact N-O 2.95Å; I82-M304 PolarHBondContact O-N 2.86Å; I82-I306 HydrophobicContact CD1-CD1 3.54Å; I82-I306 HydrophobicContact CG1-CD1 4.07Å
83V98.9Very high97.4Very high0 Ų020.4 Ų20.40%011%0.111CC..EExtended strand (participates in β ladder)trans-114.3125.1-178.9-1720000108.5I81 L86 Y108 L109 F110 L111 V303I81-V83 HydrophobicContact CG2-CG2 4.44Å; V83-L86 HydrophobicContact CG1-CD1 4.07Å; V83-L86 HydrophobicContact CG1-CD2 4.26Å; V83-L86 HydrophobicContact CG1-CG 4.12Å; V83-Y108 HydrophobicContact CG2-CD1 3.68Å; V83-Y108 HydrophobicContact CG2-CE1 4.02Å; V83-L109 PolarHBondContact N-O 3.28Å; V83-F110 HydrophobicContact CB-CD1 3.7Å; V83-F110 HydrophobicContact CB-CE1 3.91Å; V83-F110 HydrophobicContact CB-CG 4.38Å; V83-F110 HydrophobicContact CG1-CD1 3.91Å; V83-F110 HydrophobicContact CG1-CE1 3.92Å; V83-F110 HydrophobicContact CG2-CD1 4.13Å; V83-F110 HydrophobicContact CG2-CE1 3.9Å; V83-F110 HydrophobicContact CG2-CZ 4.31Å; V83-L111 WeakPolarHBondContact O-CG 3.44Å; V83-L111 PolarHBondContact O-N 2.63Å; V83-V303 HydrophobicContact CB-CG1 4.25Å; V83-V303 HydrophobicContact CG1-CG1 4.09Å; V83-V303 HydrophobicContact CG2-CG1 3.88Å
84G98.8Very high97.2Very high0 Ų020.9 Ų20.90%011%0.113CC..  trans-82.7-149172.900000112V287 S289G84-V287 WeakPolarHBondContact CA-O 3.39Å; G84-S289 PolarHBondContact N-OG 3.15Å
85D98.8Very high97.1Very high2 Ų222.4 Ų22.41%0.01112%0.12CC..BIsolated β-bridgetrans-61.6137.4-176.1-56.5-152.5000111.7H87 D113 H194 A268 H269 F288 S289 A290D85-H87 IonicContact OD1-NE2 2.56Å; D85-D113 HydrophobicContact CB-CB 4.17Å; D85-H194 IonicContact OD1-CE1 3.33Å; D85-H194 IonicContact OD2-CE1 3.31Å; D85-H194 PolarHBondContact OD2-CE1 2.88Å; D85-H194 IonicContact OD2-ND1 3.68Å; D85-A268 WeakPolarHBondContact OD2-CB 3.28Å; D85-H269 VanDerWaalsContact OD1-CA 3.26Å; D85-H269 WeakPolarHBondContact OD1-CA 3.11Å; D85-H269 PolarHBondContact OD1-N 3.49Å; D85-H269 PolarHBondContact OD2-N 3.48Å; D85-F288 HydrophobicContact CB-CD2 3.69Å; D85-F288 HydrophobicContact CB-CE2 3.4Å; D85-F288 HydrophobicContact CB-CG 4.42Å; D85-F288 HydrophobicContact CB-CZ 3.88Å; D85-F288 VanDerWaalsContact CG-CE2 3.41Å; D85-F288 WeakPolarHBondContact OD1-CE2 3.24Å; D85-S289 CarbonylContact O-C 3.51Å; D85-S289 WeakPolarHBondContact O-CA 3.24Å; D85-S289 WeakPolarHBondContact O-CB 3.37Å; D85-S289 PolarHBondContact O-N 3.02Å; D85-S289 VanDerWaalsContact O-N 3.12Å; D85-A290 PolarHBondContact O-N 3.09Å
86L98.5Very high97.1Very high0 Ų017 Ų170%09%0.094CC..  trans-121-31.9176.4-73.6170000112.8V83 G88 Q89 L93 F110 D113 T124 I128V83-L86 HydrophobicContact CG1-CD1 4.07Å; V83-L86 HydrophobicContact CG1-CD2 4.26Å; V83-L86 HydrophobicContact CG1-CG 4.12Å; L86-G88 VanDerWaalsContact C-N 3.34Å; L86-G88 PolarHBondContact O-N 2.96Å; L86-Q89 VanDerWaalsContact O-CB 3.23Å; L86-Q89 WeakPolarHBondContact O-CB 3.45Å; L86-Q89 PolarHBondContact O-N 2.69Å; L86-L93 HydrophobicContact CD1-CB 4.2Å; L86-L93 HydrophobicContact CD1-CD1 4.11Å; L86-L93 HydrophobicContact CD1-CD2 4.4Å; L86-L93 HydrophobicContact CD1-CG 4.47Å; L86-L93 HydrophobicContact CD2-CB 4.29Å; L86-F110 HydrophobicContact CD1-CD1 4.31Å; L86-F110 HydrophobicContact CD1-CE1 4.12Å; L86-D113 PolarHBondContact N-O 3.23Å; L86-T124 HydrophobicContact CB-CG2 4.08Å; L86-T124 HydrophobicContact CD1-CG2 3.95Å; L86-I128 HydrophobicContact CD1-CD1 4.14Å
87H97.8Very high97.1Very high3 Ų316.3 Ų16.31%0.0149%0.091CC..THydrogen-bonded Turntrans46.951172.5-81-57.1000114.5D85 Q89 D113 V115 D116 R117 G118 H146 Y293D85-H87 IonicContact OD1-NE2 2.56Å; H87-Q89 PolarHBondContact O-N 2.83Å; H87-Q89 VanDerWaalsContact O-N 3.09Å; H87-D113 IonicContact CE1-OD2 3.81Å; H87-D113 PolarHBondContact N-O 2.87Å; H87-D113 IonicContact NE2-OD2 3.16Å; H87-V115 PolarHBondContact ND1-O 3.05Å; H87-D116 CarbonylContact C-O 3.53Å; H87-D116 WeakPolarHBondContact CA-O 3.44Å; H87-D116 WeakPolarHBondContact CB-O 3.48Å; H87-R117 HydrophobicContact CB-CB 4.15Å; H87-R117 HydrophobicContact CB-CG 4.43Å; H87-G118 WeakPolarHBondContact O-CA 3.31Å; H87-G118 PolarHBondContact O-N 2.99Å; H87-H146 AromaticContact CE1-CD2 3.5Å; H87-H146 PolarHBondContact CE1-CD2 3.4Å; H87-H146 VanDerWaalsContact CE1-CD2 3.5Å; H87-H146 AromaticContact CE1-CE1 3.85Å; H87-H146 AromaticContact CE1-CG 3.71Å; H87-H146 AromaticContact CE1-ND1 3.92Å; H87-H146 AromaticContact CE1-NE2 3.6Å; H87-Y293 HydrophobicContact CB-CE2 3.8Å; H87-Y293 AromaticContact CD2-CE2 3.28Å; H87-Y293 WeakPolarHBondContact CD2-CE2 3.18Å; H87-Y293 AromaticContact CD2-CZ 3.59Å; H87-Y293 PolarHBondContact CD2-OH 3.39Å; H87-Y293 VanDerWaalsContact CD2-OH 3.23Å; H87-Y293 AromaticContact CG-CE2 3.74Å; H87-Y293 AromaticContact NE2-CZ 3.89Å; H87-Y293 PolarHBondContact NE2-OH 2.86Å; H87-Y293 VanDerWaalsContact NE2-OH 3.08Å
88G95.6Very high97Very high2 Ų219.3 Ų19.32%0.02110%0.099CC..THydrogen-bonded Turntrans63.41618000000115.2L86 H90 Y114 Q120L86-G88 VanDerWaalsContact C-N 3.34Å; L86-G88 PolarHBondContact O-N 2.96Å; G88-H90 PolarHBondContact O-N 3.34Å; G88-H90 VanDerWaalsContact O-N 3.15Å; G88-Y114 PolarHBondContact N-O 3.2Å; G88-Q120 CarbonylContact O-C 3.57Å; G88-Q120 WeakPolarHBondContact O-CA 2.99Å; G88-Q120 WeakPolarHBondContact O-CB 3.43Å; G88-Q120 PolarHBondContact O-N 3.39Å; G88-Q120 VanDerWaalsContact O-N 3.14Å
89Q94.4Very high96.9Very high32 Ų3223.5 Ų23.515%0.1511%0.112CC..  trans-84.565169-63-172.5-142.100110.3L86 H87 T91 D92 A290 A291L86-Q89 VanDerWaalsContact O-CB 3.23Å; L86-Q89 WeakPolarHBondContact O-CB 3.45Å; L86-Q89 PolarHBondContact O-N 2.69Å; H87-Q89 PolarHBondContact O-N 2.83Å; H87-Q89 VanDerWaalsContact O-N 3.09Å; Q89-T91 PolarHBondContact O-N 2.97Å; Q89-T91 VanDerWaalsContact O-N 3.13Å; Q89-D92 HydrophobicContact CB-CB 4.36Å; Q89-D92 WeakPolarHBondContact CB-OD2 3.21Å; Q89-D92 PolarHBondContact NE2-OD2 3.16Å; Q89-D92 WeakPolarHBondContact O-CB 3.15Å; Q89-D92 PolarHBondContact O-N 3.09Å; Q89-A290 HydrophobicContact CG-CB 4.48Å; Q89-A291 PolarHBondContact NE2-O 3.19Å
90H94.8Very high96.9Very high6 Ų621.9 Ų21.93%0.02810%0.101CC..Hα-helixtrans-53.4-35.6-176.2-172.968.4000113.8L16 G88 D92 L93 L94 Q120 E123 T124 L127L16-H90 PolarHBondContact O-CE1 2.89Å; L16-H90 PolarHBondContact O-NE2 3.24Å; G88-H90 PolarHBondContact O-N 3.34Å; G88-H90 VanDerWaalsContact O-N 3.15Å; H90-D92 VanDerWaalsContact C-N 3.28Å; H90-D92 PolarHBondContact O-N 2.91Å; H90-L93 WeakPolarHBondContact O-CB 3.22Å; H90-L93 PolarHBondContact O-N 3.09Å; H90-L94 WeakPolarHBondContact O-CG 3.39Å; H90-L94 PolarHBondContact O-N 3.11Å; H90-L94 VanDerWaalsContact O-N 3.09Å; H90-Q120 HydrophobicContact CB-CB 3.69Å; H90-Q120 HydrophobicContact CB-CG 4.49Å; H90-E123 HydrophobicContact CB-CB 4.12Å; H90-T124 WeakPolarHBondContact CA-OG1 3.35Å; H90-T124 WeakPolarHBondContact CB-OG1 3.5Å; H90-T124 PolarHBondContact N-OG1 3.15Å; H90-T124 WeakPolarHBondContact ND1-CA 3.34Å; H90-T124 PolarHBondContact ND1-N 3.01Å; H90-L127 VanDerWaalsContact CE1-CD2 3.48Å; H90-L127 WeakPolarHBondContact CE1-CD2 3.48Å
91T93.5Very high96.8Very high45 Ų4522.8 Ų22.828%0.27611%0.112SC..Hα-helixtrans-59.8-38177.2-51.30000112.1Q89 L94 Q95Q89-T91 PolarHBondContact O-N 2.97Å; Q89-T91 VanDerWaalsContact O-N 3.13Å; T91-L94 PolarHBondContact O-N 3.31Å; T91-Q95 WeakPolarHBondContact O-CG 3.42Å; T91-Q95 PolarHBondContact O-N 3.33Å
92D94.9Very high96.8Very high20 Ų2026.8 Ų26.811%0.10713%0.129CC..Hα-helixtrans-66.9-42-179.9-60.9-9.4000110Q89 H90 L94 Q95 Y96 A291 L317Q89-D92 HydrophobicContact CB-CB 4.36Å; Q89-D92 WeakPolarHBondContact CB-OD2 3.21Å; Q89-D92 PolarHBondContact NE2-OD2 3.16Å; Q89-D92 WeakPolarHBondContact O-CB 3.15Å; Q89-D92 PolarHBondContact O-N 3.09Å; H90-D92 VanDerWaalsContact C-N 3.28Å; H90-D92 PolarHBondContact O-N 2.91Å; D92-L94 VanDerWaalsContact C-N 3.33Å; D92-L94 PolarHBondContact O-N 3.14Å; D92-Q95 WeakPolarHBondContact O-CB 3.31Å; D92-Q95 PolarHBondContact O-N 3.23Å; D92-Q95 VanDerWaalsContact O-N 3.09Å; D92-Y96 HydrophobicContact CB-CE2 4.21Å; D92-Y96 WeakPolarHBondContact O-CD2 3.43Å; D92-Y96 PolarHBondContact O-N 2.88Å; D92-A291 PolarHBondContact OD2-N 2.67Å; D92-A291 VanDerWaalsContact OD2-N 3.12Å; D92-L317 HydrophobicContact CB-CD2 3.77Å
93L96.9Very high96.7Very high1 Ų127 Ų271%0.00513%0.131CC..Hα-helixtrans-55.5-46.5171.917759.7000111.8L86 H90 Q95 Y96 F97 F110 T124 L127 I128L86-L93 HydrophobicContact CD1-CB 4.2Å; L86-L93 HydrophobicContact CD1-CD1 4.11Å; L86-L93 HydrophobicContact CD1-CD2 4.4Å; L86-L93 HydrophobicContact CD1-CG 4.47Å; L86-L93 HydrophobicContact CD2-CB 4.29Å; H90-L93 WeakPolarHBondContact O-CB 3.22Å; H90-L93 PolarHBondContact O-N 3.09Å; L93-Q95 VanDerWaalsContact C-N 3.32Å; L93-Q95 PolarHBondContact O-N 2.75Å; L93-Y96 PolarHBondContact O-N 3.23Å; L93-F97 HydrophobicContact CD1-CD1 4.45Å; L93-F97 HydrophobicContact CD1-CD2 4.38Å; L93-F97 HydrophobicContact CD1-CE1 3.93Å; L93-F97 HydrophobicContact CD1-CE2 3.85Å; L93-F97 HydrophobicContact CD1-CZ 3.61Å; L93-F97 HydrophobicContact CD2-CE2 4.3Å; L93-F97 HydrophobicContact CG-CD2 4.3Å; L93-F97 HydrophobicContact CG-CE2 3.88Å; L93-F97 HydrophobicContact CG-CZ 4.16Å; L93-F97 PolarHBondContact O-N 3.26Å; L93-F110 HydrophobicContact CD1-CE1 3.78Å; L93-F110 HydrophobicContact CD1-CZ 3.99Å; L93-T124 HydrophobicContact CD2-CG2 4.28Å; L93-L127 HydrophobicContact CD2-CD2 4.11Å; L93-I128 HydrophobicContact CD2-CD1 4.35Å; L93-I128 HydrophobicContact CD2-CG1 3.98Å
94L96.1Very high96.6Very high14 Ų1429.2 Ų29.27%0.07315%0.145CC..Hα-helixtrans-63.7-37.3176.8-61.4-175.4000112.1D19 H90 T91 D92 F97 K98 L127D19-L94 HydrophobicContact CB-CD1 4.05Å; H90-L94 WeakPolarHBondContact O-CG 3.39Å; H90-L94 PolarHBondContact O-N 3.11Å; H90-L94 VanDerWaalsContact O-N 3.09Å; T91-L94 PolarHBondContact O-N 3.31Å; D92-L94 VanDerWaalsContact C-N 3.33Å; D92-L94 PolarHBondContact O-N 3.14Å; L94-F97 PolarHBondContact O-N 3.48Å; L94-K98 WeakPolarHBondContact O-CB 3.23Å; L94-K98 PolarHBondContact O-N 3.08Å; L94-L127 HydrophobicContact CD2-CD2 3.69Å
95Q95.7Very high96.5Very high43 Ų4335.3 Ų35.320%0.20118%0.177CC..Hα-helixtrans-64.3-42174.7-68.8-57.1-41.100111.8T91 D92 L93 K98 R99 L317T91-Q95 WeakPolarHBondContact O-CG 3.42Å; T91-Q95 PolarHBondContact O-N 3.33Å; D92-Q95 WeakPolarHBondContact O-CB 3.31Å; D92-Q95 PolarHBondContact O-N 3.23Å; D92-Q95 VanDerWaalsContact O-N 3.09Å; L93-Q95 VanDerWaalsContact C-N 3.32Å; L93-Q95 PolarHBondContact O-N 2.75Å; Q95-K98 PolarHBondContact O-N 2.86Å; Q95-R99 WeakPolarHBondContact O-CB 3.3Å; Q95-R99 VanDerWaalsContact O-CG 3.3Å; Q95-R99 WeakPolarHBondContact O-CG 3.26Å; Q95-R99 PolarHBondContact O-N 3.21Å; Q95-L317 HydrophobicContact CB-CD1 4.03Å; Q95-L317 HydrophobicContact CB-CD2 4.24Å; Q95-L317 HydrophobicContact CG-CD1 4.23Å
96Y97.6Very high96.4Very high0 Ų038.3 Ų38.30%019%0.191CC..Hα-helixtrans-64.4-41.7175.3-66.1-57.8000112.2D92 L93 K98 R99 C100 S289 G301 A302 V303 L317D92-Y96 HydrophobicContact CB-CE2 4.21Å; D92-Y96 WeakPolarHBondContact O-CD2 3.43Å; D92-Y96 PolarHBondContact O-N 2.88Å; L93-Y96 PolarHBondContact O-N 3.23Å; Y96-K98 VanDerWaalsContact C-N 3.3Å; Y96-K98 PolarHBondContact O-N 3.12Å; Y96-R99 PolarHBondContact O-N 3.35Å; Y96-C100 VanDerWaalsContact O-CB 3.27Å; Y96-C100 WeakPolarHBondContact O-CB 3.35Å; Y96-C100 PolarHBondContact O-N 3.37Å; Y96-C100 PolarHBondContact O-SG 3.04Å; Y96-S289 VanDerWaalsContact CE2-O 3.28Å; Y96-S289 WeakPolarHBondContact CE2-O 3.37Å; Y96-S289 PolarHBondContact OH-O 2.92Å; Y96-G301 WeakPolarHBondContact OH-CA 3.15Å; Y96-G301 PolarHBondContact OH-O 2.91Å; Y96-A302 PolarHBondContact OH-N 3.37Å; Y96-A302 VanDerWaalsContact OH-N 3.16Å; Y96-V303 HydrophobicContact CD1-CB 4.19Å; Y96-V303 HydrophobicContact CD1-CG1 3.54Å; Y96-V303 HydrophobicContact CD1-CG2 3.58Å; Y96-V303 HydrophobicContact CD2-CG1 3.8Å; Y96-V303 HydrophobicContact CE1-CB 4.3Å; Y96-V303 HydrophobicContact CE1-CG1 3.66Å; Y96-V303 HydrophobicContact CE1-CG2 3.95Å; Y96-V303 HydrophobicContact CE2-CG1 3.92Å; Y96-V303 HydrophobicContact CG-CG1 3.63Å; Y96-V303 HydrophobicContact CG-CG2 4.28Å; Y96-L317 HydrophobicContact CE1-CB 4.09Å
97F97.2Very high96.4Very high3 Ų340.4 Ų40.41%0.01320%0.2CC..Hα-helixtrans-61.7-37.1173.1-74.8-16.7000112.8L93 L94 G101 K102 P103 Y108 F110 L127 Y131L93-F97 HydrophobicContact CD1-CD1 4.45Å; L93-F97 HydrophobicContact CD1-CD2 4.38Å; L93-F97 HydrophobicContact CD1-CE1 3.93Å; L93-F97 HydrophobicContact CD1-CE2 3.85Å; L93-F97 HydrophobicContact CD1-CZ 3.61Å; L93-F97 HydrophobicContact CD2-CE2 4.3Å; L93-F97 HydrophobicContact CG-CD2 4.3Å; L93-F97 HydrophobicContact CG-CE2 3.88Å; L93-F97 HydrophobicContact CG-CZ 4.16Å; L93-F97 PolarHBondContact O-N 3.26Å; L94-F97 PolarHBondContact O-N 3.48Å; F97-G101 CarbonylContact O-C 3.58Å; F97-G101 VanDerWaalsContact O-C 3.26Å; F97-G101 VanDerWaalsContact O-CA 3.28Å; F97-G101 WeakPolarHBondContact O-CA 3.47Å; F97-G101 PolarHBondContact O-N 2.82Å; F97-K102 HydrophobicContact CB-CG 3.79Å; F97-K102 HydrophobicContact CD2-CG 4.49Å; F97-K102 HydrophobicContact CG-CG 4.14Å; F97-P103 HydrophobicContact CE1-CG 4.49Å; F97-Y108 HydrophobicContact CD1-CE1 4.19Å; F97-Y108 HydrophobicContact CD1-CE2 4.08Å; F97-Y108 AromaticContact CD1-CZ 3.7Å; F97-Y108 HydrophobicContact CE1-CD1 4.35Å; F97-Y108 HydrophobicContact CE1-CD2 4.32Å; F97-Y108 AromaticContact CE1-CE1 3.98Å; F97-Y108 HydrophobicContact CE1-CE1 3.98Å; F97-Y108 AromaticContact CE1-CE2 3.92Å; F97-Y108 HydrophobicContact CE1-CE2 3.92Å; F97-Y108 AromaticContact CE1-CZ 3.76Å; F97-F110 HydrophobicContact CE1-CZ 4.36Å; F97-F110 HydrophobicContact CZ-CZ 4.27Å; F97-L127 HydrophobicContact CD2-CD2 4.35Å; F97-L127 HydrophobicContact CE2-CD2 3.87Å; F97-L127 HydrophobicContact CE2-CG 4.23Å; F97-Y131 HydrophobicContact CD2-CE2 4.26Å; F97-Y131 HydrophobicContact CE2-CD2 4Å; F97-Y131 AromaticContact CE2-CE2 3.6Å; F97-Y131 HydrophobicContact CE2-CE2 3.6Å; F97-Y131 HydrophobicContact CZ-CD2 4.13Å; F97-Y131 HydrophobicContact CZ-CE2 4.11Å
98K95.3Very high96.5Very high157 Ų15740.3 Ų40.368%0.68320%0.2SC*.Hα-helixtrans-68-41.8174.8-176.2177.7179.4177.10112.2L94 Q95 Y96L94-K98 WeakPolarHBondContact O-CB 3.23Å; L94-K98 PolarHBondContact O-N 3.08Å; Q95-K98 PolarHBondContact O-N 2.86Å; Y96-K98 VanDerWaalsContact C-N 3.3Å; Y96-K98 PolarHBondContact O-N 3.12Å
99R96.6Very high96.6Very high111 Ų11140.2 Ų40.242%0.41920%0.199SC..Hα-helixtrans-77.9-36.1-176.1-71176.7-177.5-123.7-12.1112.9Q95 Y96 V315 I316 E348Q95-R99 WeakPolarHBondContact O-CB 3.3Å; Q95-R99 VanDerWaalsContact O-CG 3.3Å; Q95-R99 WeakPolarHBondContact O-CG 3.26Å; Q95-R99 PolarHBondContact O-N 3.21Å; Y96-R99 PolarHBondContact O-N 3.35Å; R99-V315 HydrophobicContact CB-CG1 4.08Å; R99-I316 PolarHBondContact NH1-O 2.8Å; R99-I316 VanDerWaalsContact NH1-O 3.1Å; R99-E348 IonicContact NH2-OE2 3.7Å; R99-E348 PolarHBondContact NH2-OE2 2.61Å
100C97.2Very high96.9Very high16 Ų1638.7 Ų38.711%0.10819%0.192CC..Hα-helixtrans-108.2-23.3-170.6-460000113.9I81 Y96 Q106I81-C100 HydrophobicContact CD1-CB 3.34Å; Y96-C100 VanDerWaalsContact O-CB 3.27Å; Y96-C100 WeakPolarHBondContact O-CB 3.35Å; Y96-C100 PolarHBondContact O-N 3.37Å; Y96-C100 PolarHBondContact O-SG 3.04Å; C100-Q106 WeakPolarHBondContact O-CG 3.45Å
101G97.1Very high97.1Very high22 Ų2238.4 Ų38.423%0.22719%0.19CC..  trans112.1155.4-173.200000112.1F97 Y108F97-G101 CarbonylContact O-C 3.58Å; F97-G101 VanDerWaalsContact O-C 3.26Å; F97-G101 VanDerWaalsContact O-CA 3.28Å; F97-G101 WeakPolarHBondContact O-CA 3.47Å; F97-G101 PolarHBondContact O-N 2.82Å; G101-Y108 WeakPolarHBondContact O-CE2 3.44Å; G101-Y108 PolarHBondContact O-OH 3.2Å
102K97.2Very high97.3Very high86 Ų8636.2 Ų36.237%0.37418%0.177SC..  trans-95.9159179.6-71.8170.5179.6-176.20110.5F97 D105 Q106F97-K102 HydrophobicContact CB-CG 3.79Å; F97-K102 HydrophobicContact CD2-CG 4.49Å; F97-K102 HydrophobicContact CG-CG 4.14Å; K102-D105 WeakPolarHBondContact O-CA 3.12Å; K102-D105 VanDerWaalsContact O-CB 3.3Å; K102-D105 WeakPolarHBondContact O-CB 3.28Å; K102-D105 PolarHBondContact O-N 2.71Å; K102-Q106 PolarHBondContact O-N 2.92Å; K102-Q106 VanDerWaalsContact O-N 3.12Å
103P97.4Very high97.5Very high5 Ų535.4 Ų35.43%0.03217%0.173CC..THydrogen-bonded Turntrans-60.6137.8159.7-18.430.6000110.7F97 Y108 Y131 Y135 L139F97-P103 HydrophobicContact CE1-CG 4.49Å; P103-Y108 HydrophobicContact CG-CD2 3.88Å; P103-Y108 HydrophobicContact CG-CE2 4.25Å; P103-Y131 HydrophobicContact CB-CD1 3.74Å; P103-Y131 HydrophobicContact CB-CE1 4.2Å; P103-Y131 HydrophobicContact CB-CG 4.24Å; P103-Y131 HydrophobicContact CG-CD1 3.94Å; P103-Y131 HydrophobicContact CG-CD2 4.44Å; P103-Y131 HydrophobicContact CG-CE1 4.35Å; P103-Y131 HydrophobicContact CG-CG 4Å; P103-Y131 WeakPolarHBondContact O-CE1 3.2Å; P103-Y135 HydrophobicContact CB-CD2 3.98Å; P103-L139 HydrophobicContact CB-CD1 3.5Å; P103-L139 VanDerWaalsContact CB-CD1 3.5Å; P103-L139 HydrophobicContact CB-CG 4.45Å; P103-L139 HydrophobicContact CG-CD1 3.65Å; P103-L139 HydrophobicContact CG-CD2 4.14Å; P103-L139 HydrophobicContact CG-CG 4.08Å
104P97Very high97.6Very high46 Ų4635.3 Ų35.330%0.29917%0.172SC..THydrogen-bonded Turncis-94.319.837.5-31.9000114.5Q106 Y135 K138P104-Q106 PolarHBondContact O-N 3.3Å; P104-Y135 HydrophobicContact CB-CD1 3.88Å; P104-Y135 HydrophobicContact CB-CD2 4.13Å; P104-Y135 HydrophobicContact CB-CE1 4Å; P104-Y135 HydrophobicContact CB-CE2 4.23Å; P104-Y135 HydrophobicContact CB-CG 3.94Å; P104-Y135 HydrophobicContact CG-CD1 4.22Å; P104-Y135 HydrophobicContact CG-CE1 3.81Å; P104-Y135 HydrophobicContact CG-CE2 4.12Å; P104-K138 HydrophobicContact CB-CG 4Å
105D97.2Very high97.7Very high128 Ų12834.7 Ų34.768%0.68417%0.169SC*.THydrogen-bonded Turntrans-60.9-29.7-178.5-54.7-28.3000111.8K102K102-D105 WeakPolarHBondContact O-CA 3.12Å; K102-D105 VanDerWaalsContact O-CB 3.3Å; K102-D105 WeakPolarHBondContact O-CB 3.28Å; K102-D105 PolarHBondContact O-N 2.71Å
106Q97.3Very high97.8Very high64 Ų6432.6 Ų32.630%0.29916%0.159SC..SBendtrans-126.4150.8174.3-65.9-60.5-41.600111.6I81 C100 K102 P104 Y108I81-Q106 HydrophobicContact CD1-CB 4.12Å; I81-Q106 HydrophobicContact CD1-CG 4.17Å; C100-Q106 WeakPolarHBondContact O-CG 3.45Å; K102-Q106 PolarHBondContact O-N 2.92Å; K102-Q106 VanDerWaalsContact O-N 3.12Å; P104-Q106 PolarHBondContact O-N 3.3Å; Q106-Y108 HydrophobicContact CB-CD2 4.24Å; Q106-Y108 HydrophobicContact CB-CE2 3.66Å
107K98.4Very high97.7Very high44 Ų4438.1 Ų38.119%0.19118%0.18CC..  trans-95137.8172.9-170.2-174.7-52.7172.40110.1I76 N77 L80 I81 K138I76-K107 HydrophobicContact CG2-CD 3.53Å; N77-K107 PolarHBondContact O-NZ 3.46Å; L80-K107 CarbonylContact C-O 3.35Å; L80-K107 WeakPolarHBondContact CA-O 3.47Å; L80-K107 HydrophobicContact CB-CB 4.1Å; L80-K107 HydrophobicContact CB-CD 4.13Å; L80-K107 HydrophobicContact CB-CG 4.19Å; I81-K107 PolarHBondContact N-O 3.14Å; K107-K138 CarbonylContact C-O 3.48Å; K107-K138 VanDerWaalsContact CA-O 3.24Å; K107-K138 WeakPolarHBondContact CA-O 3.21Å; K107-K138 WeakPolarHBondContact CG-O 3.4Å
108Y98.8Very high97.4Very high1 Ų138.9 Ų38.90%0.00419%0.189CC..EExtended strand (participates in β ladder)trans-123.5142.5-178.5-78.4-94.2000112.5I81 V83 F97 G101 P103 Q106 F110 K138 L139 A140I81-Y108 HydrophobicContact CB-CD1 3.87Å; I81-Y108 HydrophobicContact CB-CE1 3.73Å; I81-Y108 HydrophobicContact CB-CG 4.46Å; I81-Y108 HydrophobicContact CD1-CE1 4.02Å; I81-Y108 HydrophobicContact CD1-CE2 4.24Å; I81-Y108 HydrophobicContact CG1-CE1 4.47Å; I81-Y108 HydrophobicContact CG2-CD1 4.05Å; I81-Y108 HydrophobicContact CG2-CE1 3.65Å; I81-Y108 CarbonylContact O-C 3.08Å; I81-Y108 VanDerWaalsContact O-CA 3.3Å; I81-Y108 WeakPolarHBondContact O-CA 3.15Å; V83-Y108 HydrophobicContact CG2-CD1 3.68Å; V83-Y108 HydrophobicContact CG2-CE1 4.02Å; F97-Y108 HydrophobicContact CD1-CE1 4.19Å; F97-Y108 HydrophobicContact CD1-CE2 4.08Å; F97-Y108 AromaticContact CD1-CZ 3.7Å; F97-Y108 HydrophobicContact CE1-CD1 4.35Å; F97-Y108 HydrophobicContact CE1-CD2 4.32Å; F97-Y108 AromaticContact CE1-CE1 3.98Å; F97-Y108 HydrophobicContact CE1-CE1 3.98Å; F97-Y108 AromaticContact CE1-CE2 3.92Å; F97-Y108 HydrophobicContact CE1-CE2 3.92Å; F97-Y108 AromaticContact CE1-CZ 3.76Å; G101-Y108 WeakPolarHBondContact O-CE2 3.44Å; G101-Y108 PolarHBondContact O-OH 3.2Å; P103-Y108 HydrophobicContact CG-CD2 3.88Å; P103-Y108 HydrophobicContact CG-CE2 4.25Å; Q106-Y108 HydrophobicContact CB-CD2 4.24Å; Q106-Y108 HydrophobicContact CB-CE2 3.66Å; Y108-F110 HydrophobicContact CD1-CE2 4.26Å; Y108-F110 HydrophobicContact CD1-CZ 4.17Å; Y108-F110 HydrophobicContact CG-CE2 4.15Å; Y108-F110 HydrophobicContact CG-CZ 4.43Å; Y108-K138 PolarHBondContact N-O 3.2Å; Y108-L139 CarbonylContact O-C 3.55Å; Y108-L139 VanDerWaalsContact O-CA 3.31Å; Y108-L139 WeakPolarHBondContact O-CA 3.45Å; Y108-A140 PolarHBondContact O-N 2.69Å
109L98.9Very high97.2Very high0 Ų042 Ų420%020%0.196CC..EExtended strand (participates in β ladder)trans-120.4116.1164.9168.761000108I76 L80 I81 I82 V83 L111 A140 L142 A184 V186 C192I76-L109 HydrophobicContact CD1-CB 4.27Å; I76-L109 HydrophobicContact CD1-CD1 3.84Å; I76-L109 HydrophobicContact CD1-CD2 4.27Å; I76-L109 HydrophobicContact CD1-CG 4.35Å; L80-L109 HydrophobicContact CD1-CB 3.78Å; L80-L109 HydrophobicContact CD1-CD2 4.31Å; I81-L109 PolarHBondContact O-N 3Å; I82-L109 CarbonylContact C-O 3.54Å; I82-L109 VanDerWaalsContact CA-O 3.29Å; I82-L109 WeakPolarHBondContact CA-O 3.15Å; I82-L109 HydrophobicContact CD1-CD2 4.18Å; I82-L109 HydrophobicContact CG1-CB 4.28Å; I82-L109 HydrophobicContact CG1-CD2 4.15Å; I82-L109 HydrophobicContact CG2-CD2 4.41Å; I82-L109 HydrophobicContact CG2-CG 4.44Å; V83-L109 PolarHBondContact N-O 3.28Å; L109-L111 HydrophobicContact CD2-CD2 4.17Å; L109-L111 HydrophobicContact CG-CD2 4.12Å; L109-A140 WeakPolarHBondContact CA-O 3.48Å; L109-A140 HydrophobicContact CD1-CB 3.68Å; L109-L142 HydrophobicContact CD1-CD1 3.98Å; L109-L142 HydrophobicContact CD1-CD2 4.29Å; L109-L142 HydrophobicContact CD1-CG 3.8Å; L109-A184 HydrophobicContact CD1-CB 3.86Å; L109-A184 HydrophobicContact CD2-CB 3.86Å; L109-V186 HydrophobicContact CD2-CG2 3.98Å; L109-C192 HydrophobicContact CD2-CB 3.86Å
110F98.9Very high97.1Very high0 Ų039.8 Ų39.80%019%0.191CC..EExtended strand (participates in β ladder)trans-97.4128.3175.6-70.5-91.9000109.6V83 L86 L93 F97 Y108 Y114 I128 L139 A140 V141 L142V83-F110 HydrophobicContact CB-CD1 3.7Å; V83-F110 HydrophobicContact CB-CE1 3.91Å; V83-F110 HydrophobicContact CB-CG 4.38Å; V83-F110 HydrophobicContact CG1-CD1 3.91Å; V83-F110 HydrophobicContact CG1-CE1 3.92Å; V83-F110 HydrophobicContact CG2-CD1 4.13Å; V83-F110 HydrophobicContact CG2-CE1 3.9Å; V83-F110 HydrophobicContact CG2-CZ 4.31Å; L86-F110 HydrophobicContact CD1-CD1 4.31Å; L86-F110 HydrophobicContact CD1-CE1 4.12Å; L93-F110 HydrophobicContact CD1-CE1 3.78Å; L93-F110 HydrophobicContact CD1-CZ 3.99Å; F97-F110 HydrophobicContact CE1-CZ 4.36Å; F97-F110 HydrophobicContact CZ-CZ 4.27Å; Y108-F110 HydrophobicContact CD1-CE2 4.26Å; Y108-F110 HydrophobicContact CD1-CZ 4.17Å; Y108-F110 HydrophobicContact CG-CE2 4.15Å; Y108-F110 HydrophobicContact CG-CZ 4.43Å; F110-Y114 VanDerWaalsContact C-OH 3.3Å; F110-Y114 HydrophobicContact CB-CE1 3.62Å; F110-Y114 VanDerWaalsContact CB-OH 3.23Å; F110-Y114 WeakPolarHBondContact CB-OH 3.38Å; F110-Y114 HydrophobicContact CD1-CE1 4.24Å; F110-Y114 HydrophobicContact CG-CE1 4.34Å; F110-Y114 PolarHBondContact O-OH 2.83Å; F110-I128 HydrophobicContact CD1-CD1 3.86Å; F110-I128 HydrophobicContact CD1-CG1 4.29Å; F110-I128 HydrophobicContact CD2-CG2 4.21Å; F110-I128 HydrophobicContact CE1-CD1 3.85Å; F110-I128 HydrophobicContact CE1-CG1 3.92Å; F110-I128 HydrophobicContact CE2-CG1 4.49Å; F110-I128 HydrophobicContact CE2-CG2 4.37Å; F110-I128 HydrophobicContact CG-CD1 4.48Å; F110-I128 HydrophobicContact CG-CG2 4.41Å; F110-I128 HydrophobicContact CZ-CD1 4.46Å; F110-I128 HydrophobicContact CZ-CG1 4.04Å; F110-L139 HydrophobicContact CE2-CD2 3.96Å; F110-A140 PolarHBondContact N-O 2.81Å; F110-V141 HydrophobicContact CD2-CG2 4.49Å; F110-L142 WeakPolarHBondContact O-CB 3.36Å; F110-L142 PolarHBondContact O-N 2.7Å
111L98.9Very high97.1Very high0 Ų039 Ų390%019%0.185CC..  trans-86.4-26.9-171.5-63.8-179.8000114.4I82 V83 L109 L142 C192 H194 V266 A268I82-L111 HydrophobicContact CG2-CD1 3.57Å; I82-L111 HydrophobicContact CG2-CD2 3.81Å; I82-L111 HydrophobicContact CG2-CG 3.61Å; V83-L111 WeakPolarHBondContact O-CG 3.44Å; V83-L111 PolarHBondContact O-N 2.63Å; L109-L111 HydrophobicContact CD2-CD2 4.17Å; L109-L111 HydrophobicContact CG-CD2 4.12Å; L111-L142 HydrophobicContact CD2-CD1 4Å; L111-L142 WeakPolarHBondContact O-CB 3.45Å; L111-C192 HydrophobicContact CD2-CB 3.84Å; L111-H194 WeakPolarHBondContact O-CB 3.4Å; L111-V266 HydrophobicContact CD1-CG1 4.24Å; L111-A268 HydrophobicContact CB-CB 3.91Å; L111-A268 HydrophobicContact CD1-CB 3.88Å
112G98.8Very high97.2Very high0 Ų038 Ų380%018%0.175CC..SBendtrans146.9-176.7179.700000112.1Y114G112-Y114 PolarHBondContact N-OH 2.95Å; G112-Y114 WeakPolarHBondContact O-CE1 3.39Å
113D98.8Very high97.1Very high2 Ų234.9 Ų34.91%0.01116%0.161CC..  trans55.860.2174.5-72.53.2000113.1D85 L86 H87 G144 N145 H146 E147 H194 H269D85-D113 HydrophobicContact CB-CB 4.17Å; L86-D113 PolarHBondContact N-O 3.23Å; H87-D113 IonicContact CE1-OD2 3.81Å; H87-D113 PolarHBondContact N-O 2.87Å; H87-D113 IonicContact NE2-OD2 3.16Å; D113-G144 WeakPolarHBondContact OD1-CA 3.13Å; D113-N145 PolarHBondContact OD1-N 3Å; D113-N145 VanDerWaalsContact OD1-N 3.08Å; D113-N145 PolarHBondContact OD1-OD1 2.89Å; D113-N145 VanDerWaalsContact OD1-OD1 3.06Å; D113-N145 PolarHBondContact OD2-OD1 3.27Å; D113-H146 HydrophobicContact CB-CB 4.45Å; D113-H146 VanDerWaalsContact CG-CD2 3.47Å; D113-H146 WeakPolarHBondContact OD1-CB 3.13Å; D113-H146 IonicContact OD1-CD2 3.81Å; D113-H146 PolarHBondContact OD1-CD2 3.11Å; D113-H146 IonicContact OD1-CG 3.9Å; D113-H146 PolarHBondContact OD1-N 2.84Å; D113-H146 IonicContact OD2-CD2 3.34Å; D113-H146 PolarHBondContact OD2-CD2 3.05Å; D113-H146 VanDerWaalsContact OD2-CD2 3.29Å; D113-E147 WeakPolarHBondContact CA-OE2 3.42Å; D113-E147 PolarHBondContact N-OE2 3.32Å; D113-H194 IonicContact OD1-CD2 3.41Å; D113-H194 IonicContact OD1-CE1 2.88Å; D113-H194 IonicContact OD1-NE2 3.63Å; D113-H194 PolarHBondContact OD1-NE2 3.37Å; D113-H194 IonicContact OD2-CE1 3.69Å; D113-H194 PolarHBondContact OD2-CE1 3.16Å; D113-H194 VanDerWaalsContact OD2-CE1 3.26Å; D113-H194 IonicContact OD2-NE2 2.67Å; D113-H194 PolarHBondContact OD2-NE2 2.74Å; D113-H269 IonicContact OD2-ND1 2.83Å
114Y98.8Very high97.2Very high0 Ų034.6 Ų34.60%016%0.16CC..  trans-86.9-28.5179.8-45-48.5000112.2G88 F110 G112 I125 I128 V141 L142 E147G88-Y114 PolarHBondContact N-O 3.2Å; F110-Y114 VanDerWaalsContact C-OH 3.3Å; F110-Y114 HydrophobicContact CB-CE1 3.62Å; F110-Y114 VanDerWaalsContact CB-OH 3.23Å; F110-Y114 WeakPolarHBondContact CB-OH 3.38Å; F110-Y114 HydrophobicContact CD1-CE1 4.24Å; F110-Y114 HydrophobicContact CG-CE1 4.34Å; F110-Y114 PolarHBondContact O-OH 2.83Å; G112-Y114 PolarHBondContact N-OH 2.95Å; G112-Y114 WeakPolarHBondContact O-CE1 3.39Å; Y114-I125 HydrophobicContact CD2-CD1 3.54Å; Y114-I125 HydrophobicContact CE2-CD1 4.37Å; Y114-I125 HydrophobicContact CG-CD1 4.08Å; Y114-I128 HydrophobicContact CD1-CD1 3.86Å; Y114-I128 HydrophobicContact CE1-CD1 4.42Å; Y114-I128 HydrophobicContact CG-CD1 4.05Å; Y114-V141 HydrophobicContact CE2-CG1 3.51Å; Y114-V141 WeakPolarHBondContact OH-CG1 3.36Å; Y114-L142 WeakPolarHBondContact CE2-O 3.29Å; Y114-L142 PolarHBondContact OH-N 2.93Å; Y114-L142 PolarHBondContact OH-O 2.87Å; Y114-E147 HydrophobicContact CD2-CG 4.02Å; Y114-E147 HydrophobicContact CE2-CG 4.39Å; Y114-E147 PolarHBondContact N-OE1 2.88Å
115V98.7Very high97.2Very high0 Ų032.5 Ų32.50%015%0.146CC..SBendtrans-109.5177-174.2-54.70000112H87 I125 H146 E147 N152 F157 F177H87-V115 PolarHBondContact ND1-O 3.05Å; V115-I125 HydrophobicContact CG1-CB 4.08Å; V115-I125 HydrophobicContact CG1-CG2 4.26Å; V115-H146 HydrophobicContact CG2-CB 4.27Å; V115-E147 PolarHBondContact N-OE1 2.8Å; V115-N152 HydrophobicContact CG2-CB 4.19Å; V115-F157 HydrophobicContact CB-CB 4.05Å; V115-F157 HydrophobicContact CB-CD1 4.39Å; V115-F157 HydrophobicContact CB-CD2 3.88Å; V115-F157 HydrophobicContact CB-CE2 4.42Å; V115-F157 HydrophobicContact CB-CG 3.86Å; V115-F157 HydrophobicContact CG1-CD1 4.4Å; V115-F157 HydrophobicContact CG1-CD2 3.87Å; V115-F157 HydrophobicContact CG1-CE1 4.44Å; V115-F157 HydrophobicContact CG1-CE2 3.89Å; V115-F157 HydrophobicContact CG1-CG 4.13Å; V115-F157 HydrophobicContact CG1-CZ 4.18Å; V115-F157 HydrophobicContact CG2-CB 4.1Å; V115-F157 HydrophobicContact CG2-CD1 4.29Å; V115-F157 HydrophobicContact CG2-CG 4.1Å; V115-F177 HydrophobicContact CG1-CE2 4.48Å; V115-F177 HydrophobicContact CG1-CZ 4.03Å
116D98Very high97.3Very high0 Ų026.4 Ų26.40%011%0.113CC..SBendtrans67.8166.7-178.5-63.7-38.9000114.5H87 G118 S121 H146 N152 Y155 G156 F157H87-D116 CarbonylContact C-O 3.53Å; H87-D116 WeakPolarHBondContact CA-O 3.44Å; H87-D116 WeakPolarHBondContact CB-O 3.48Å; D116-G118 PolarHBondContact O-N 3.45Å; D116-S121 PolarHBondContact N-OG 2.81Å; D116-S121 VanDerWaalsContact N-OG 3.09Å; D116-H146 VanDerWaalsContact CB-ND1 3.34Å; D116-H146 WeakPolarHBondContact CB-ND1 3.44Å; D116-H146 IonicContact OD2-CE1 3.79Å; D116-H146 IonicContact OD2-CG 3.18Å; D116-H146 IonicContact OD2-ND1 2.78Å; D116-H146 PolarHBondContact OD2-ND1 3.41Å; D116-N152 WeakPolarHBondContact OD1-CA 3.06Å; D116-N152 WeakPolarHBondContact OD2-CA 3.36Å; D116-N152 VanDerWaalsContact OD2-CB 3.22Å; D116-N152 WeakPolarHBondContact OD2-CB 3.46Å; D116-Y155 WeakPolarHBondContact CB-O 3.27Å; D116-G156 PolarHBondContact OD1-N 2.97Å; D116-G156 VanDerWaalsContact OD1-N 3.13Å; D116-F157 WeakPolarHBondContact OD1-CB 3.39Å; D116-F157 PolarHBondContact OD1-N 2.85Å
117R94.6Very high97.3Very high115 Ų11523.3 Ų23.343%0.43410%0.099SC..SBendtrans66.2-58.1178.5-47.5-73.4-170.3154.73114.5H87 Y155 Y293H87-R117 HydrophobicContact CB-CB 4.15Å; H87-R117 HydrophobicContact CB-CG 4.43Å; R117-Y155 VanDerWaalsContact CZ-CD1 3.49Å; R117-Y155 PolarHBondContact N-O 2.89Å; R117-Y293 HydrophobicContact CB-CE2 4.41Å; R117-Y293 HydrophobicContact CG-CE2 4.46Å; R117-Y293 WeakPolarHBondContact CG-OH 3.39Å
118G91.4Very high97.4Very high19 Ų1921.2 Ų21.220%0.1969%0.09CC..SBendtrans-76.4176.4176.800000113.4H87 D116H87-G118 WeakPolarHBondContact O-CA 3.31Å; H87-G118 PolarHBondContact O-N 2.99Å; D116-G118 PolarHBondContact O-N 3.45Å
119R90.8Very high97.4Very high222 Ų22221.3 Ų21.384%0.8389%0.09SC*.SBendtrans-97.5-8.4-170.4-63-179.1-179.3162.22.3114.3
120Q94.8Very high97.3Very high65 Ų6521.3 Ų21.330%0.3049%0.09SC..  trans-128.840.5-170.7-60.4-179.2-109.200111.2G88 H90 L122 E123 T124G88-Q120 CarbonylContact O-C 3.57Å; G88-Q120 WeakPolarHBondContact O-CA 2.99Å; G88-Q120 WeakPolarHBondContact O-CB 3.43Å; G88-Q120 PolarHBondContact O-N 3.39Å; G88-Q120 VanDerWaalsContact O-N 3.14Å; H90-Q120 HydrophobicContact CB-CB 3.69Å; H90-Q120 HydrophobicContact CB-CG 4.49Å; Q120-L122 VanDerWaalsContact C-N 3.28Å; Q120-L122 PolarHBondContact O-N 3.33Å; Q120-E123 WeakPolarHBondContact CA-OE2 3.23Å; Q120-E123 HydrophobicContact CB-CB 4.16Å; Q120-E123 HydrophobicContact CB-CG 4.37Å; Q120-E123 WeakPolarHBondContact CB-OE2 3.49Å; Q120-E123 PolarHBondContact O-N 3.33Å; Q120-T124 PolarHBondContact O-N 2.83Å; Q120-T124 PolarHBondContact O-OG1 3.21Å; Q120-T124 VanDerWaalsContact O-OG1 3.09Å
121S97.8Very high97.3Very high0 Ų021.7 Ų21.70%09%0.092CC..Hα-helixtrans-61.3-40.2-179.4-53.60000111.1D116 T124 I125 E160D116-S121 PolarHBondContact N-OG 2.81Å; D116-S121 VanDerWaalsContact N-OG 3.09Å; S121-T124 PolarHBondContact O-N 3.39Å; S121-I125 WeakPolarHBondContact O-CG2 3.36Å; S121-I125 PolarHBondContact O-N 2.9Å; S121-E160 WeakPolarHBondContact CB-OE2 3.29Å; S121-E160 PolarHBondContact N-OE1 3.09Å; S121-E160 PolarHBondContact N-OE2 3.28Å; S121-E160 PolarHBondContact OG-OE2 2.81Å; S121-E160 VanDerWaalsContact OG-OE2 3.07Å
122L97.8Very high97.3Very high0 Ų021.9 Ų21.90%09%0.093CC..Hα-helixtrans-63-42.9177.8-79169.3000111.7M48 Q120 S126 F157 E160 R164 Y165 L169 F173M48-L122 HydrophobicContact CE-CB 3.86Å; M48-L122 HydrophobicContact SD-CB 3.88Å; Q120-L122 VanDerWaalsContact C-N 3.28Å; Q120-L122 PolarHBondContact O-N 3.33Å; L122-S126 WeakPolarHBondContact O-CB 3.15Å; L122-S126 PolarHBondContact O-N 3.39Å; L122-S126 PolarHBondContact O-OG 2.78Å; L122-F157 HydrophobicContact CD2-CE2 3.87Å; L122-F157 HydrophobicContact CD2-CZ 4.24Å; L122-F157 HydrophobicContact CG-CE2 4.11Å; L122-E160 WeakPolarHBondContact CB-OE1 3.22Å; L122-E160 HydrophobicContact CD1-CG 4.2Å; L122-E160 PolarHBondContact N-OE1 2.89Å; L122-R164 HydrophobicContact CD1-CB 4.25Å; L122-Y165 HydrophobicContact CD1-CD2 3.65Å; L122-Y165 HydrophobicContact CD1-CE2 3.82Å; L122-L169 HydrophobicContact CD2-CD2 3.99Å; L122-F173 HydrophobicContact CD2-CD2 4.37Å; L122-F173 HydrophobicContact CD2-CE2 3.78Å; L122-F173 HydrophobicContact CD2-CZ 4.41Å
123E96.7Very high97.3Very high21 Ų2123.5 Ų23.510%0.09810%0.101CC..Hα-helixtrans-62.6-49.5175.9-68.879.3169.600111.1L16 M48 H90 Q120 S126 L127 R164L16-E123 HydrophobicContact CD2-CB 4.38Å; L16-E123 HydrophobicContact CD2-CG 4.29Å; M48-E123 HydrophobicContact CG-CG 4.03Å; M48-E123 WeakPolarHBondContact CG-OE1 3.23Å; M48-E123 HydrophobicContact SD-CB 4.27Å; M48-E123 HydrophobicContact SD-CG 3.63Å; H90-E123 HydrophobicContact CB-CB 4.12Å; Q120-E123 WeakPolarHBondContact CA-OE2 3.23Å; Q120-E123 HydrophobicContact CB-CB 4.16Å; Q120-E123 HydrophobicContact CB-CG 4.37Å; Q120-E123 WeakPolarHBondContact CB-OE2 3.49Å; Q120-E123 PolarHBondContact O-N 3.33Å; E123-S126 PolarHBondContact O-N 3.04Å; E123-L127 WeakPolarHBondContact O-CB 3.47Å; E123-L127 PolarHBondContact O-N 3.18Å; E123-R164 IonicContact OE1-CZ 3.02Å; E123-R164 VanDerWaalsContact OE1-CZ 3.24Å; E123-R164 IonicContact OE1-NH1 3.38Å; E123-R164 PolarHBondContact OE1-NH1 2.96Å; E123-R164 IonicContact OE1-NH2 2.88Å; E123-R164 PolarHBondContact OE1-NH2 3.32Å; E123-R164 IonicContact OE2-CZ 2.71Å; E123-R164 IonicContact OE2-NH1 3.24Å; E123-R164 PolarHBondContact OE2-NH1 3.48Å; E123-R164 IonicContact OE2-NH2 2.77Å
124T97.7Very high97.3Very high0 Ų026.6 Ų26.60%012%0.115CC..Hα-helixtrans-57.8-57.7-177.8-61.10000111.1L86 H90 L93 Q120 S121 S126 L127 I128L86-T124 HydrophobicContact CB-CG2 4.08Å; L86-T124 HydrophobicContact CD1-CG2 3.95Å; H90-T124 WeakPolarHBondContact CA-OG1 3.35Å; H90-T124 WeakPolarHBondContact CB-OG1 3.5Å; H90-T124 PolarHBondContact N-OG1 3.15Å; H90-T124 WeakPolarHBondContact ND1-CA 3.34Å; H90-T124 PolarHBondContact ND1-N 3.01Å; L93-T124 HydrophobicContact CD2-CG2 4.28Å; Q120-T124 PolarHBondContact O-N 2.83Å; Q120-T124 PolarHBondContact O-OG1 3.21Å; Q120-T124 VanDerWaalsContact O-OG1 3.09Å; S121-T124 PolarHBondContact O-N 3.39Å; T124-S126 VanDerWaalsContact C-N 3.34Å; T124-S126 PolarHBondContact O-N 3.08Å; T124-L127 PolarHBondContact O-N 3.39Å; T124-I128 HydrophobicContact CG2-CD1 4.01Å; T124-I128 WeakPolarHBondContact O-CG1 3.45Å; T124-I128 PolarHBondContact O-N 3.06Å
125I98.7Very high97.2Very high1 Ų129.4 Ų29.41%0.00513%0.125CC..Hα-helixtrans-66.6-38.2-176.5-16853.8000111.6Y114 V115 S121 L127 I128 L129 F157 F173 F177Y114-I125 HydrophobicContact CD2-CD1 3.54Å; Y114-I125 HydrophobicContact CE2-CD1 4.37Å; Y114-I125 HydrophobicContact CG-CD1 4.08Å; V115-I125 HydrophobicContact CG1-CB 4.08Å; V115-I125 HydrophobicContact CG1-CG2 4.26Å; S121-I125 WeakPolarHBondContact O-CG2 3.36Å; S121-I125 PolarHBondContact O-N 2.9Å; I125-L127 VanDerWaalsContact C-N 3.33Å; I125-L127 PolarHBondContact O-N 2.91Å; I125-I128 PolarHBondContact O-N 3.21Å; I125-L129 HydrophobicContact CD1-CD2 4.38Å; I125-L129 HydrophobicContact CD1-CG 4.18Å; I125-L129 HydrophobicContact CG1-CD1 4.25Å; I125-L129 HydrophobicContact CG1-CG 4.23Å; I125-L129 WeakPolarHBondContact O-CB 3.46Å; I125-L129 VanDerWaalsContact O-CG 3.28Å; I125-L129 WeakPolarHBondContact O-CG 3.37Å; I125-L129 PolarHBondContact O-N 3.4Å; I125-F157 HydrophobicContact CG2-CE2 4.39Å; I125-F157 HydrophobicContact CG2-CZ 4.42Å; I125-F173 HydrophobicContact CG1-CE1 4.32Å; I125-F173 HydrophobicContact CG2-CD1 4.33Å; I125-F173 HydrophobicContact CG2-CE1 3.82Å; I125-F173 HydrophobicContact CG2-CZ 4.16Å; I125-F177 HydrophobicContact CD1-CE1 3.98Å; I125-F177 HydrophobicContact CG1-CE1 3.74Å; I125-F177 HydrophobicContact CG1-CZ 3.97Å
126S98.6Very high97.2Very high0 Ų031.7 Ų31.70%014%0.14CC..Hα-helixtrans-66.5-37.1-179.2-57.30000111.8L56 L122 E123 T124 A130L56-S126 WeakPolarHBondContact CD2-OG 3.32Å; L122-S126 WeakPolarHBondContact O-CB 3.15Å; L122-S126 PolarHBondContact O-N 3.39Å; L122-S126 PolarHBondContact O-OG 2.78Å; E123-S126 PolarHBondContact O-N 3.04Å; T124-S126 VanDerWaalsContact C-N 3.34Å; T124-S126 PolarHBondContact O-N 3.08Å; S126-A130 VanDerWaalsContact O-CB 3.24Å; S126-A130 WeakPolarHBondContact O-CB 3.49Å; S126-A130 PolarHBondContact O-N 2.8Å
127L98.2Very high97.1Very high0 Ų038.5 Ų38.50%018%0.177CC..Hα-helixtrans-67.2-44177.2-176.756.7000111.3I13 L16 H90 L93 L94 F97 E123 T124 I125 A130 Y131I13-L127 HydrophobicContact CG1-CD1 4.43Å; I13-L127 HydrophobicContact CG2-CD1 4.39Å; L16-L127 HydrophobicContact CB-CB 4.12Å; L16-L127 HydrophobicContact CB-CD1 3.9Å; L16-L127 HydrophobicContact CB-CG 4.44Å; L16-L127 HydrophobicContact CD1-CB 4.21Å; H90-L127 VanDerWaalsContact CE1-CD2 3.48Å; H90-L127 WeakPolarHBondContact CE1-CD2 3.48Å; L93-L127 HydrophobicContact CD2-CD2 4.11Å; L94-L127 HydrophobicContact CD2-CD2 3.69Å; F97-L127 HydrophobicContact CD2-CD2 4.35Å; F97-L127 HydrophobicContact CE2-CD2 3.87Å; F97-L127 HydrophobicContact CE2-CG 4.23Å; E123-L127 WeakPolarHBondContact O-CB 3.47Å; E123-L127 PolarHBondContact O-N 3.18Å; T124-L127 PolarHBondContact O-N 3.39Å; I125-L127 VanDerWaalsContact C-N 3.33Å; I125-L127 PolarHBondContact O-N 2.91Å; L127-A130 PolarHBondContact O-N 3.34Å; L127-Y131 HydrophobicContact CD1-CD2 3.69Å; L127-Y131 HydrophobicContact CD1-CE2 3.42Å; L127-Y131 VanDerWaalsContact CD1-CE2 3.42Å; L127-Y131 HydrophobicContact CD2-CE2 4.42Å; L127-Y131 HydrophobicContact CG-CD2 3.95Å; L127-Y131 HydrophobicContact CG-CE2 3.89Å; L127-Y131 WeakPolarHBondContact O-CD2 3.48Å; L127-Y131 PolarHBondContact O-N 3.26Å
128I98.8Very high97.3Very high0 Ų037.2 Ų37.20%017%0.174CC..Hα-helixtrans-58.7-49.2175.9-67167.9000110.2L86 L93 F110 Y114 T124 I125 A130 Y131 K132 V141L86-I128 HydrophobicContact CD1-CD1 4.14Å; L93-I128 HydrophobicContact CD2-CD1 4.35Å; L93-I128 HydrophobicContact CD2-CG1 3.98Å; F110-I128 HydrophobicContact CD1-CD1 3.86Å; F110-I128 HydrophobicContact CD1-CG1 4.29Å; F110-I128 HydrophobicContact CD2-CG2 4.21Å; F110-I128 HydrophobicContact CE1-CD1 3.85Å; F110-I128 HydrophobicContact CE1-CG1 3.92Å; F110-I128 HydrophobicContact CE2-CG1 4.49Å; F110-I128 HydrophobicContact CE2-CG2 4.37Å; F110-I128 HydrophobicContact CG-CD1 4.48Å; F110-I128 HydrophobicContact CG-CG2 4.41Å; F110-I128 HydrophobicContact CZ-CD1 4.46Å; F110-I128 HydrophobicContact CZ-CG1 4.04Å; Y114-I128 HydrophobicContact CD1-CD1 3.86Å; Y114-I128 HydrophobicContact CE1-CD1 4.42Å; Y114-I128 HydrophobicContact CG-CD1 4.05Å; T124-I128 HydrophobicContact CG2-CD1 4.01Å; T124-I128 WeakPolarHBondContact O-CG1 3.45Å; T124-I128 PolarHBondContact O-N 3.06Å; I125-I128 PolarHBondContact O-N 3.21Å; I128-A130 PolarHBondContact O-N 3.08Å; I128-Y131 PolarHBondContact O-N 2.79Å; I128-K132 WeakPolarHBondContact O-CB 2.95Å; I128-K132 PolarHBondContact O-N 2.96Å; I128-V141 HydrophobicContact CG2-CG1 4Å; I128-V141 HydrophobicContact CG2-CG2 3.65Å
129L98.8Very high97.6Very high2 Ų236.5 Ų36.51%0.0117%0.166CC..Hα-helixtrans-65.7-38179.7-65.8-171.9000112.7L59 A63 F67 I125 K132 L133 F173L59-L129 HydrophobicContact CD1-CB 4.23Å; L59-L129 HydrophobicContact CD2-CB 4.07Å; L59-L129 HydrophobicContact CG-CB 4.07Å; A63-L129 HydrophobicContact CB-CB 4.35Å; A63-L129 HydrophobicContact CB-CD1 3.94Å; A63-L129 HydrophobicContact CB-CD2 3.95Å; A63-L129 HydrophobicContact CB-CG 4.29Å; F67-L129 HydrophobicContact CE2-CD2 3.58Å; F67-L129 HydrophobicContact CZ-CD2 3.61Å; I125-L129 HydrophobicContact CD1-CD2 4.38Å; I125-L129 HydrophobicContact CD1-CG 4.18Å; I125-L129 HydrophobicContact CG1-CD1 4.25Å; I125-L129 HydrophobicContact CG1-CG 4.23Å; I125-L129 WeakPolarHBondContact O-CB 3.46Å; I125-L129 VanDerWaalsContact O-CG 3.28Å; I125-L129 WeakPolarHBondContact O-CG 3.37Å; I125-L129 PolarHBondContact O-N 3.4Å; L129-K132 PolarHBondContact O-N 2.8Å; L129-L133 WeakPolarHBondContact O-CB 3.44Å; L129-L133 WeakPolarHBondContact O-CG 3.36Å; L129-L133 PolarHBondContact O-N 3.21Å; L129-F173 HydrophobicContact CD1-CD1 4.34Å; L129-F173 HydrophobicContact CD1-CE1 3.84Å
130A98.5Very high98Very high0 Ų026.4 Ų26.40%013%0.13CC..Hα-helixtrans-64.4-44.4178.700000111.3L9 L12 I13 L59 S126 L127 I128 L133 K134L9-A130 HydrophobicContact CD2-CB 4.32Å; L12-A130 HydrophobicContact CD2-CB 3.98Å; L12-A130 HydrophobicContact CG-CB 4.34Å; I13-A130 HydrophobicContact CD1-CB 4.38Å; I13-A130 HydrophobicContact CG1-CB 3.73Å; L59-A130 HydrophobicContact CD1-CB 4.08Å; S126-A130 VanDerWaalsContact O-CB 3.24Å; S126-A130 WeakPolarHBondContact O-CB 3.49Å; S126-A130 PolarHBondContact O-N 2.8Å; L127-A130 PolarHBondContact O-N 3.34Å; I128-A130 PolarHBondContact O-N 3.08Å; A130-L133 PolarHBondContact O-N 3.44Å; A130-K134 WeakPolarHBondContact O-CB 3.37Å; A130-K134 PolarHBondContact O-N 3.18Å
131Y98.7Very high98.2Very high9 Ų923.3 Ų23.34%0.03512%0.116CC..Hα-helixtrans-65.3-40.4172.8-83.7-61.7000112.6I13 F97 P103 L127 I128 L133 K134 Y135 L139I13-Y131 HydrophobicContact CD1-CD1 3.74Å; I13-Y131 HydrophobicContact CD1-CE1 3.95Å; I13-Y131 HydrophobicContact CD1-CG 4.19Å; I13-Y131 HydrophobicContact CG1-CD1 4.32Å; I13-Y131 HydrophobicContact CG1-CE1 4.35Å; I13-Y131 HydrophobicContact CG1-CG 4.43Å; I13-Y131 HydrophobicContact CG2-CD1 4.48Å; I13-Y131 HydrophobicContact CG2-CE1 3.71Å; I13-Y131 HydrophobicContact CG2-CE2 4Å; I13-Y131 VanDerWaalsContact CG2-CZ 3.41Å; I13-Y131 VanDerWaalsContact CG2-OH 3.28Å; I13-Y131 WeakPolarHBondContact CG2-OH 3.23Å; F97-Y131 HydrophobicContact CD2-CE2 4.26Å; F97-Y131 HydrophobicContact CE2-CD2 4Å; F97-Y131 AromaticContact CE2-CE2 3.6Å; F97-Y131 HydrophobicContact CE2-CE2 3.6Å; F97-Y131 HydrophobicContact CZ-CD2 4.13Å; F97-Y131 HydrophobicContact CZ-CE2 4.11Å; P103-Y131 HydrophobicContact CB-CD1 3.74Å; P103-Y131 HydrophobicContact CB-CE1 4.2Å; P103-Y131 HydrophobicContact CB-CG 4.24Å; P103-Y131 HydrophobicContact CG-CD1 3.94Å; P103-Y131 HydrophobicContact CG-CD2 4.44Å; P103-Y131 HydrophobicContact CG-CE1 4.35Å; P103-Y131 HydrophobicContact CG-CG 4Å; P103-Y131 WeakPolarHBondContact O-CE1 3.2Å; L127-Y131 HydrophobicContact CD1-CD2 3.69Å; L127-Y131 HydrophobicContact CD1-CE2 3.42Å; L127-Y131 VanDerWaalsContact CD1-CE2 3.42Å; L127-Y131 HydrophobicContact CD2-CE2 4.42Å; L127-Y131 HydrophobicContact CG-CD2 3.95Å; L127-Y131 HydrophobicContact CG-CE2 3.89Å; L127-Y131 WeakPolarHBondContact O-CD2 3.48Å; L127-Y131 PolarHBondContact O-N 3.26Å; I128-Y131 PolarHBondContact O-N 2.79Å; Y131-L133 VanDerWaalsContact C-N 3.34Å; Y131-L133 PolarHBondContact O-N 2.63Å; Y131-K134 PolarHBondContact O-N 3.18Å; Y131-Y135 HydrophobicContact CD1-CD2 4.02Å; Y131-Y135 HydrophobicContact CD1-CE2 4.01Å; Y131-Y135 HydrophobicContact CE1-CE2 4.31Å; Y131-Y135 PolarHBondContact O-N 3.38Å; Y131-L139 VanDerWaalsContact CB-CD2 3.49Å
132K98.7Very high98.2Very high3 Ų323.3 Ų23.31%0.01312%0.116CC..Hα-helixtrans-60.7-42.4177.2174.758.6-178173.80111.8L66 F67 E70 I128 L129 Y135 P136 L139 V141L66-K132 HydrophobicContact CD2-CD 4.22Å; L66-K132 HydrophobicContact CD2-CG 3.93Å; F67-K132 HydrophobicContact CE1-CD 4.41Å; F67-K132 HydrophobicContact CE1-CG 3.93Å; F67-K132 HydrophobicContact CZ-CG 4.1Å; E70-K132 VanDerWaalsContact OE1-CE 3.28Å; E70-K132 WeakPolarHBondContact OE1-CE 3.41Å; E70-K132 IonicContact OE1-NZ 3.88Å; E70-K132 PolarHBondContact OE1-NZ 2.99Å; E70-K132 IonicContact OE2-NZ 3.96Å; I128-K132 WeakPolarHBondContact O-CB 2.95Å; I128-K132 PolarHBondContact O-N 2.96Å; L129-K132 PolarHBondContact O-N 2.8Å; K132-Y135 CarbonylContact O-C 3.57Å; K132-P136 PolarHBondContact NZ-O 2.84Å; K132-P136 WeakPolarHBondContact O-CA 3.25Å; K132-L139 HydrophobicContact CB-CB 4.36Å; K132-L139 HydrophobicContact CD-CB 4.05Å; K132-L139 WeakPolarHBondContact CD-O 3.39Å; K132-L139 WeakPolarHBondContact CE-O 3.49Å; K132-L139 PolarHBondContact NZ-O 3.37Å; K132-V141 HydrophobicContact CB-CG2 4.22Å; K132-V141 HydrophobicContact CD-CG2 4.36Å; K132-V141 HydrophobicContact CG-CG2 4.22Å
133L98.5Very high98.3Very high35 Ų3523.4 Ų23.418%0.18312%0.116CC..Hα-helixtrans-70-38.5177-76.5165.6000112.6L9 L59 A63 L66 L129 A130 Y131L9-L133 HydrophobicContact CD1-CB 3.78Å; L9-L133 HydrophobicContact CD2-CB 4.18Å; L9-L133 HydrophobicContact CD2-CD1 4.34Å; L59-L133 HydrophobicContact CD1-CD1 3.61Å; L59-L133 HydrophobicContact CG-CD1 4.43Å; A63-L133 HydrophobicContact CB-CD1 4.16Å; A63-L133 HydrophobicContact CB-CG 4.41Å; L66-L133 HydrophobicContact CB-CD2 4.22Å; L66-L133 HydrophobicContact CD2-CD2 3.97Å; L129-L133 WeakPolarHBondContact O-CB 3.44Å; L129-L133 WeakPolarHBondContact O-CG 3.36Å; L129-L133 PolarHBondContact O-N 3.21Å; A130-L133 PolarHBondContact O-N 3.44Å; Y131-L133 VanDerWaalsContact C-N 3.34Å; Y131-L133 PolarHBondContact O-N 2.63Å
134K98.1Very high98.4Very high67 Ų6722.4 Ų22.429%0.29111%0.112SC..Hα-helixtrans-71.9-37.1-179.6-170.1175.2176.3-175.10112.3L9 D10 I13 A130 Y131L9-K134 HydrophobicContact CB-CB 4.41Å; L9-K134 HydrophobicContact CD1-CB 4.03Å; D10-K134 WeakPolarHBondContact OD1-CD 3.31Å; D10-K134 WeakPolarHBondContact OD1-CE 3.45Å; D10-K134 IonicContact OD1-NZ 3.82Å; D10-K134 PolarHBondContact OD1-NZ 3.43Å; I13-K134 HydrophobicContact CD1-CB 4.16Å; I13-K134 HydrophobicContact CD1-CD 3.56Å; I13-K134 HydrophobicContact CD1-CG 4.49Å; A130-K134 WeakPolarHBondContact O-CB 3.37Å; A130-K134 PolarHBondContact O-N 3.18Å; Y131-K134 PolarHBondContact O-N 3.18Å
135Y98.2Very high98.4Very high58 Ų5822.6 Ų22.623%0.22711%0.112CC..  trans-133.470.3-176.4-49.7-62.6000110.9P103 P104 Y131 K132 D137 K138 L139P103-Y135 HydrophobicContact CB-CD2 3.98Å; P104-Y135 HydrophobicContact CB-CD1 3.88Å; P104-Y135 HydrophobicContact CB-CD2 4.13Å; P104-Y135 HydrophobicContact CB-CE1 4Å; P104-Y135 HydrophobicContact CB-CE2 4.23Å; P104-Y135 HydrophobicContact CB-CG 3.94Å; P104-Y135 HydrophobicContact CG-CD1 4.22Å; P104-Y135 HydrophobicContact CG-CE1 3.81Å; P104-Y135 HydrophobicContact CG-CE2 4.12Å; Y131-Y135 HydrophobicContact CD1-CD2 4.02Å; Y131-Y135 HydrophobicContact CD1-CE2 4.01Å; Y131-Y135 HydrophobicContact CE1-CE2 4.31Å; Y131-Y135 PolarHBondContact O-N 3.38Å; K132-Y135 CarbonylContact O-C 3.57Å; Y135-D137 PolarHBondContact O-N 2.87Å; Y135-D137 VanDerWaalsContact O-N 3.13Å; Y135-K138 PolarHBondContact O-N 3.04Å; Y135-L139 PolarHBondContact O-N 2.62Å
136P97.9Very high98.4Very high48 Ų4823 Ų2331%0.31211%0.114SC..THydrogen-bonded Turntrans-57.6-32.4-172.221.1-33.3000114L66 K132 K138L66-P136 HydrophobicContact CD1-CB 4.24Å; L66-P136 HydrophobicContact CD2-CB 4.15Å; K132-P136 PolarHBondContact NZ-O 2.84Å; K132-P136 WeakPolarHBondContact O-CA 3.25Å; P136-K138 VanDerWaalsContact C-N 3.33Å
137D96.9Very high98.4Very high143 Ų14323 Ų2377%0.76511%0.114SC*.THydrogen-bonded Turntrans-85-3.4179.4-55.4-44.5000114.1Y135Y135-D137 PolarHBondContact O-N 2.87Å; Y135-D137 VanDerWaalsContact O-N 3.13Å
138K98.1Very high98.4Very high88 Ų8823.3 Ų23.338%0.38312%0.116SC..THydrogen-bonded Turntrans-107.6-10.4-177.5-60.2-63.7-174.5172.10113.3P104 K107 Y108 Y135 P136P104-K138 HydrophobicContact CB-CG 4Å; K107-K138 CarbonylContact C-O 3.48Å; K107-K138 VanDerWaalsContact CA-O 3.24Å; K107-K138 WeakPolarHBondContact CA-O 3.21Å; K107-K138 WeakPolarHBondContact CG-O 3.4Å; Y108-K138 PolarHBondContact N-O 3.2Å; Y135-K138 PolarHBondContact O-N 3.04Å; P136-K138 VanDerWaalsContact C-N 3.33Å
139L98Very high98.4Very high4 Ų424.4 Ų24.42%0.02112%0.124CC..EExtended strand (participates in β ladder)trans-133.1134.7176.9-6983.1000110.2P103 Y108 F110 Y131 K132 Y135P103-L139 HydrophobicContact CB-CD1 3.5Å; P103-L139 VanDerWaalsContact CB-CD1 3.5Å; P103-L139 HydrophobicContact CB-CG 4.45Å; P103-L139 HydrophobicContact CG-CD1 3.65Å; P103-L139 HydrophobicContact CG-CD2 4.14Å; P103-L139 HydrophobicContact CG-CG 4.08Å; Y108-L139 CarbonylContact O-C 3.55Å; Y108-L139 VanDerWaalsContact O-CA 3.31Å; Y108-L139 WeakPolarHBondContact O-CA 3.45Å; F110-L139 HydrophobicContact CE2-CD2 3.96Å; Y131-L139 VanDerWaalsContact CB-CD2 3.49Å; K132-L139 HydrophobicContact CB-CB 4.36Å; K132-L139 HydrophobicContact CD-CB 4.05Å; K132-L139 WeakPolarHBondContact CD-O 3.39Å; K132-L139 WeakPolarHBondContact CE-O 3.49Å; K132-L139 PolarHBondContact NZ-O 3.37Å; Y135-L139 PolarHBondContact O-N 2.62Å
140A98.7Very high98.3Very high10 Ų1030 Ų308%0.08315%0.145CC..EExtended strand (participates in β ladder)trans-112.4140.4159.900000109V74 I76 Y108 L109 F110V74-A140 HydrophobicContact CG2-CB 4.16Å; I76-A140 HydrophobicContact CD1-CB 3.23Å; I76-A140 HydrophobicContact CG1-CB 4.23Å; Y108-A140 PolarHBondContact O-N 2.69Å; L109-A140 WeakPolarHBondContact CA-O 3.48Å; L109-A140 HydrophobicContact CD1-CB 3.68Å; F110-A140 PolarHBondContact N-O 2.81Å
141V98.9Very high98.3Very high1 Ų130.7 Ų30.71%0.00615%0.148CC..EExtended strand (participates in β ladder)trans-130.8108.3-175.8-173.30000106.7F67 F110 Y114 I128 K132 L180 P181F67-V141 HydrophobicContact CE1-CB 3.99Å; F67-V141 HydrophobicContact CE1-CG2 4.42Å; F67-V141 HydrophobicContact CZ-CB 4.02Å; F67-V141 HydrophobicContact CZ-CG1 4.36Å; F67-V141 HydrophobicContact CZ-CG2 4.38Å; F110-V141 HydrophobicContact CD2-CG2 4.49Å; Y114-V141 HydrophobicContact CE2-CG1 3.51Å; Y114-V141 WeakPolarHBondContact OH-CG1 3.36Å; I128-V141 HydrophobicContact CG2-CG1 4Å; I128-V141 HydrophobicContact CG2-CG2 3.65Å; K132-V141 HydrophobicContact CB-CG2 4.22Å; K132-V141 HydrophobicContact CD-CG2 4.36Å; K132-V141 HydrophobicContact CG-CG2 4.22Å; V141-L180 HydrophobicContact CB-CD2 4.31Å; V141-L180 HydrophobicContact CG1-CD2 3.92Å; V141-P181 WeakPolarHBondContact O-CD 3.41Å
142L98.9Very high98.3Very high0 Ų030.2 Ų30.20%015%0.147CC..  trans-87.2174.2177.3-56.3-173.5000110.5V74 L109 F110 L111 Y114 P181 A184 C192V74-L142 HydrophobicContact CG2-CD2 3.96Å; L109-L142 HydrophobicContact CD1-CD1 3.98Å; L109-L142 HydrophobicContact CD1-CD2 4.29Å; L109-L142 HydrophobicContact CD1-CG 3.8Å; F110-L142 WeakPolarHBondContact O-CB 3.36Å; F110-L142 PolarHBondContact O-N 2.7Å; L111-L142 HydrophobicContact CD2-CD1 4Å; L111-L142 WeakPolarHBondContact O-CB 3.45Å; Y114-L142 WeakPolarHBondContact CE2-O 3.29Å; Y114-L142 PolarHBondContact OH-N 2.93Å; Y114-L142 PolarHBondContact OH-O 2.87Å; L142-P181 CarbonylContact C-O 3.51Å; L142-P181 WeakPolarHBondContact CA-O 3.13Å; L142-P181 HydrophobicContact CD2-CB 3.9Å; L142-A184 HydrophobicContact CD1-CB 4.17Å; L142-A184 HydrophobicContact CD2-CB 4.28Å; L142-C192 HydrophobicContact CD1-CB 4.5Å
143R98.9Very high98.3Very high2 Ų237.2 Ų37.21%0.00817%0.173CC..  trans-94.6133.4176.5-164.1174.6-174.9168.67.5109.8E147 F177 N178 L180 P181 L182 H194 T214 L226R143-E147 HydrophobicContact CG-CB 3.9Å; R143-E147 PolarHBondContact NE-O 3.35Å; R143-E147 PolarHBondContact NH2-O 2.83Å; R143-F177 PolarHBondContact NE-O 3.33Å; R143-N178 PolarHBondContact NH2-OD1 3.43Å; R143-L180 HydrophobicContact CB-CB 3.72Å; R143-L180 HydrophobicContact CB-CD1 4.23Å; R143-L180 HydrophobicContact CG-CB 4.1Å; R143-L180 HydrophobicContact CG-CD1 4.12Å; R143-P181 WeakPolarHBondContact CB-O 3.34Å; R143-P181 PolarHBondContact N-O 2.64Å; R143-L182 HydrophobicContact CB-CD2 4.02Å; R143-H194 WeakPolarHBondContact O-CB 3.46Å; R143-T214 PolarHBondContact NH1-O 2.93Å; R143-L226 HydrophobicContact CB-CD2 4.15Å; R143-L226 HydrophobicContact CG-CD1 4.46Å; R143-L226 HydrophobicContact CG-CD2 4.4Å; R143-L226 WeakPolarHBondContact O-CD2 3.34Å
144G98.8Very high98.2Very high0 Ų040.9 Ų40.90%019%0.192CC..  trans-96.8176.516200000112.4D113 H146 E147 H194D113-G144 WeakPolarHBondContact OD1-CA 3.13Å; G144-H146 VanDerWaalsContact C-N 3.26Å; G144-H146 PolarHBondContact O-N 3.2Å; G144-E147 VanDerWaalsContact CA-OE2 3.25Å; G144-E147 WeakPolarHBondContact CA-OE2 3.26Å; G144-E147 PolarHBondContact N-OE2 2.99Å; G144-E147 PolarHBondContact O-N 3.11Å; G144-H194 VanDerWaalsContact CA-CD2 3.49Å; G144-H194 WeakPolarHBondContact CA-CD2 3.01Å
145N98.6Very high98.1Very high3 Ų342.1 Ų42.12%0.01620%0.195CC..SBendtrans-73.6-20.9175.763.5-59.7000112.2D113 C148 I151 H194 L226 W227 H269D113-N145 PolarHBondContact OD1-N 3Å; D113-N145 VanDerWaalsContact OD1-N 3.08Å; D113-N145 PolarHBondContact OD1-OD1 2.89Å; D113-N145 VanDerWaalsContact OD1-OD1 3.06Å; D113-N145 PolarHBondContact OD2-OD1 3.27Å; N145-C148 WeakPolarHBondContact O-CB 3.41Å; N145-I151 WeakPolarHBondContact O-CB 3.33Å; N145-I151 WeakPolarHBondContact O-CG1 3.24Å; N145-H194 PolarHBondContact OD1-CD2 3.45Å; N145-H194 PolarHBondContact OD1-NE2 2.96Å; N145-H194 VanDerWaalsContact OD1-NE2 3.08Å; N145-L226 HydrophobicContact CB-CB 4.18Å; N145-W227 HydrophobicContact CB-CD2 3.86Å; N145-W227 VanDerWaalsContact CB-CE2 3.43Å; N145-W227 HydrophobicContact CB-CE3 4.37Å; N145-W227 HydrophobicContact CB-CG 4.35Å; N145-W227 HydrophobicContact CB-CH2 4.21Å; N145-W227 HydrophobicContact CB-CZ2 3.64Å; N145-W227 WeakPolarHBondContact ND2-CH2 3.31Å; N145-W227 WeakPolarHBondContact ND2-CZ2 3.32Å; N145-W227 VanDerWaalsContact ND2-CZ3 3.29Å; N145-W227 WeakPolarHBondContact ND2-CZ3 3.47Å; N145-H269 VanDerWaalsContact CG-CE1 3.47Å; N145-H269 PolarHBondContact OD1-CE1 3.17Å; N145-H269 PolarHBondContact OD1-ND1 2.69Å
146H98.6Very high98Very high9 Ų940.5 Ų40.54%0.04220%0.196CC..SBendtrans-78.9-16.7172.1-75-98.3000113.4H87 D113 V115 D116 G144 C148 I151 N152 Y155H87-H146 AromaticContact CE1-CD2 3.5Å; H87-H146 PolarHBondContact CE1-CD2 3.4Å; H87-H146 VanDerWaalsContact CE1-CD2 3.5Å; H87-H146 AromaticContact CE1-CE1 3.85Å; H87-H146 AromaticContact CE1-CG 3.71Å; H87-H146 AromaticContact CE1-ND1 3.92Å; H87-H146 AromaticContact CE1-NE2 3.6Å; D113-H146 HydrophobicContact CB-CB 4.45Å; D113-H146 VanDerWaalsContact CG-CD2 3.47Å; D113-H146 WeakPolarHBondContact OD1-CB 3.13Å; D113-H146 IonicContact OD1-CD2 3.81Å; D113-H146 PolarHBondContact OD1-CD2 3.11Å; D113-H146 IonicContact OD1-CG 3.9Å; D113-H146 PolarHBondContact OD1-N 2.84Å; D113-H146 IonicContact OD2-CD2 3.34Å; D113-H146 PolarHBondContact OD2-CD2 3.05Å; D113-H146 VanDerWaalsContact OD2-CD2 3.29Å; V115-H146 HydrophobicContact CG2-CB 4.27Å; D116-H146 VanDerWaalsContact CB-ND1 3.34Å; D116-H146 WeakPolarHBondContact CB-ND1 3.44Å; D116-H146 IonicContact OD2-CE1 3.79Å; D116-H146 IonicContact OD2-CG 3.18Å; D116-H146 IonicContact OD2-ND1 2.78Å; D116-H146 PolarHBondContact OD2-ND1 3.41Å; G144-H146 VanDerWaalsContact C-N 3.26Å; G144-H146 PolarHBondContact O-N 3.2Å; H146-C148 PolarHBondContact O-N 2.87Å; H146-I151 HydrophobicContact CB-CG2 4.35Å; H146-I151 WeakPolarHBondContact ND1-CG2 3.28Å; H146-N152 VanDerWaalsContact O-CB 3.28Å; H146-N152 WeakPolarHBondContact O-CB 3.17Å; H146-N152 PolarHBondContact O-ND2 2.75Å; H146-Y155 AromaticContact CE1-CD2 3.86Å; H146-Y155 AromaticContact CE1-CG 3.88Å
147E98.7Very high98Very high0 Ų038.2 Ų38.20%018%0.181CC..SBendtrans-79.445167.1-74.769.7-133.500111.6D113 Y114 V115 R143 G144 F177 L180D113-E147 WeakPolarHBondContact CA-OE2 3.42Å; D113-E147 PolarHBondContact N-OE2 3.32Å; Y114-E147 HydrophobicContact CD2-CG 4.02Å; Y114-E147 HydrophobicContact CE2-CG 4.39Å; Y114-E147 PolarHBondContact N-OE1 2.88Å; V115-E147 PolarHBondContact N-OE1 2.8Å; R143-E147 HydrophobicContact CG-CB 3.9Å; R143-E147 PolarHBondContact NE-O 3.35Å; R143-E147 PolarHBondContact NH2-O 2.83Å; G144-E147 VanDerWaalsContact CA-OE2 3.25Å; G144-E147 WeakPolarHBondContact CA-OE2 3.26Å; G144-E147 PolarHBondContact N-OE2 2.99Å; G144-E147 PolarHBondContact O-N 3.11Å; E147-F177 HydrophobicContact CB-CB 3.94Å; E147-F177 HydrophobicContact CB-CD1 4.22Å; E147-F177 HydrophobicContact CB-CD2 4.06Å; E147-F177 HydrophobicContact CB-CG 3.83Å; E147-F177 HydrophobicContact CG-CD1 3.85Å; E147-F177 HydrophobicContact CG-CD2 4.13Å; E147-F177 HydrophobicContact CG-CE1 4.03Å; E147-F177 HydrophobicContact CG-CE2 4.29Å; E147-F177 HydrophobicContact CG-CG 3.92Å; E147-F177 HydrophobicContact CG-CZ 4.24Å; E147-F177 WeakPolarHBondContact O-CB 3.48Å; E147-L180 HydrophobicContact CB-CD1 3.93Å; E147-L180 HydrophobicContact CG-CD1 3.88Å
148C98.1Very high98.1Very high7 Ų733.7 Ų33.75%0.04715%0.154CC..SBendtrans-138.5136.7178.8178.70000111.2N145 H146 R150 I151 N152 V216N145-C148 WeakPolarHBondContact O-CB 3.41Å; H146-C148 PolarHBondContact O-N 2.87Å; C148-R150 VanDerWaalsContact C-N 3.26Å; C148-R150 PolarHBondContact O-N 3.3Å; C148-I151 HydrophobicContact CB-CG1 4.44Å; C148-I151 PolarHBondContact O-N 3.01Å; C148-I151 VanDerWaalsContact O-N 3.15Å; C148-N152 PolarHBondContact O-N 2.82Å; C148-N152 PolarHBondContact O-ND2 2.76Å; C148-N152 PolarHBondContact O-OD1 2.87Å; C148-V216 HydrophobicContact CB-CG2 3.88Å
149S97.8Very high98.1Very high23 Ų2333.7 Ų33.716%0.16116%0.158CC..Hα-helixtrans-54.9-38.4-177.764.50000113.4R153S149-R153 WeakPolarHBondContact O-CB 3.31Å; S149-R153 PolarHBondContact O-N 3.05Å
150R97.3Very high98Very high120 Ų12034 Ų3445%0.45316%0.16SC..Hα-helixtrans-66.3-40.4-178.7-179.2167.566177.8-6.3112C148 D218C148-R150 VanDerWaalsContact C-N 3.26Å; C148-R150 PolarHBondContact O-N 3.3Å; R150-D218 IonicContact CZ-OD1 2.72Å; R150-D218 IonicContact NH1-OD1 3.54Å; R150-D218 PolarHBondContact NH1-OD1 2.74Å; R150-D218 IonicContact NH2-OD1 2.62Å; R150-D218 PolarHBondContact NH2-OD1 2.61Å
151I98.2Very high97.9Very high14 Ų1433.6 Ų33.67%0.07216%0.156CC..Hα-helixtrans-81.8-52.5-175.5-58.8-53.4000110.2N145 H146 C148 R153 I154 Y155 W227N145-I151 WeakPolarHBondContact O-CB 3.33Å; N145-I151 WeakPolarHBondContact O-CG1 3.24Å; H146-I151 HydrophobicContact CB-CG2 4.35Å; H146-I151 WeakPolarHBondContact ND1-CG2 3.28Å; C148-I151 HydrophobicContact CB-CG1 4.44Å; C148-I151 PolarHBondContact O-N 3.01Å; C148-I151 VanDerWaalsContact O-N 3.15Å; I151-R153 PolarHBondContact O-N 3.19Å; I151-R153 VanDerWaalsContact O-N 3.1Å; I151-I154 WeakPolarHBondContact O-CG1 3.34Å; I151-I154 PolarHBondContact O-N 3.06Å; I151-Y155 HydrophobicContact CB-CD2 4.47Å; I151-Y155 HydrophobicContact CG2-CD2 3.51Å; I151-Y155 HydrophobicContact CG2-CE2 3.95Å; I151-Y155 WeakPolarHBondContact O-CD2 3.41Å; I151-Y155 PolarHBondContact O-N 2.84Å; I151-Y155 VanDerWaalsContact O-N 3.13Å; I151-W227 HydrophobicContact CD1-CH2 3.74Å; I151-W227 HydrophobicContact CD1-CZ2 3.58Å; I151-W227 HydrophobicContact CG1-CH2 4.19Å; I151-W227 HydrophobicContact CG1-CZ2 3.72Å
152N98.2Very high97.8Very high0 Ų038.8 Ų38.80%018%0.178CC..Hα-helixtrans-75.6-4.3-175.57128.8000115.1V115 D116 H146 C148 I154 F157 Y158 W170V115-N152 HydrophobicContact CG2-CB 4.19Å; D116-N152 WeakPolarHBondContact OD1-CA 3.06Å; D116-N152 WeakPolarHBondContact OD2-CA 3.36Å; D116-N152 VanDerWaalsContact OD2-CB 3.22Å; D116-N152 WeakPolarHBondContact OD2-CB 3.46Å; H146-N152 VanDerWaalsContact O-CB 3.28Å; H146-N152 WeakPolarHBondContact O-CB 3.17Å; H146-N152 PolarHBondContact O-ND2 2.75Å; C148-N152 PolarHBondContact O-N 2.82Å; C148-N152 PolarHBondContact O-ND2 2.76Å; C148-N152 PolarHBondContact O-OD1 2.87Å; N152-I154 VanDerWaalsContact C-N 3.34Å; N152-F157 HydrophobicContact CB-CB 3.89Å; N152-F157 HydrophobicContact CB-CD1 4.31Å; N152-Y158 WeakPolarHBondContact O-CB 3.16Å; N152-Y158 PolarHBondContact O-N 2.92Å; N152-W170 PolarHBondContact OD1-NE1 2.89Å
153R98.1Very high97.6Very high150 Ų15044.8 Ų44.857%0.56620%0.201SC*.THydrogen-bonded Turntrans-71.7-28164.8-175.7168.5-174.2176.9-0.3113.3S149 I151 Y158 W170S149-R153 WeakPolarHBondContact O-CB 3.31Å; S149-R153 PolarHBondContact O-N 3.05Å; I151-R153 PolarHBondContact O-N 3.19Å; I151-R153 VanDerWaalsContact O-N 3.1Å; R153-Y158 HydrophobicContact CG-CG 4.44Å; R153-W170 HydrophobicContact CB-CZ2 4.1Å
154I97.2Very high97.5Very high112 Ų11245.2 Ų45.257%0.57420%0.203SC*.THydrogen-bonded Turntrans-112-23.2-172.361.1166.8000113.6I151 N152I151-I154 WeakPolarHBondContact O-CG1 3.34Å; I151-I154 PolarHBondContact O-N 3.06Å; N152-I154 VanDerWaalsContact C-N 3.34Å
155Y97Very high97.3Very high93 Ų9345.5 Ų45.537%0.36520%0.204SC..SBendtrans-100.21.5-174.2-70.9-74.7000115.7D116 R117 H146 I151D116-Y155 WeakPolarHBondContact CB-O 3.27Å; R117-Y155 VanDerWaalsContact CZ-CD1 3.49Å; R117-Y155 PolarHBondContact N-O 2.89Å; H146-Y155 AromaticContact CE1-CD2 3.86Å; H146-Y155 AromaticContact CE1-CG 3.88Å; I151-Y155 HydrophobicContact CB-CD2 4.47Å; I151-Y155 HydrophobicContact CG2-CD2 3.51Å; I151-Y155 HydrophobicContact CG2-CE2 3.95Å; I151-Y155 WeakPolarHBondContact O-CD2 3.41Å; I151-Y155 PolarHBondContact O-N 2.84Å; I151-Y155 VanDerWaalsContact O-N 3.13Å
156G94.9Very high97.3Very high24 Ų2446.5 Ų46.525%0.24721%0.211CC..SBendtrans137.1-28.7162.100000116.2D116 Y158 D159 E160D116-G156 PolarHBondContact OD1-N 2.97Å; D116-G156 VanDerWaalsContact OD1-N 3.13Å; G156-Y158 PolarHBondContact O-N 3.41Å; G156-D159 PolarHBondContact O-N 2.9Å; G156-E160 WeakPolarHBondContact O-CB 3.4Å; G156-E160 PolarHBondContact O-N 3.25Å
157F98.4Very high97.3Very high0 Ų048.8 Ų48.80%023%0.226CC..Hα-helixtrans-65.5-40.8-172.7-174.1-126.6000112.9V115 D116 L122 I125 N152 D159 E160 C161 W170 F173 F177V115-F157 HydrophobicContact CB-CB 4.05Å; V115-F157 HydrophobicContact CB-CD1 4.39Å; V115-F157 HydrophobicContact CB-CD2 3.88Å; V115-F157 HydrophobicContact CB-CE2 4.42Å; V115-F157 HydrophobicContact CB-CG 3.86Å; V115-F157 HydrophobicContact CG1-CD1 4.4Å; V115-F157 HydrophobicContact CG1-CD2 3.87Å; V115-F157 HydrophobicContact CG1-CE1 4.44Å; V115-F157 HydrophobicContact CG1-CE2 3.89Å; V115-F157 HydrophobicContact CG1-CG 4.13Å; V115-F157 HydrophobicContact CG1-CZ 4.18Å; V115-F157 HydrophobicContact CG2-CB 4.1Å; V115-F157 HydrophobicContact CG2-CD1 4.29Å; V115-F157 HydrophobicContact CG2-CG 4.1Å; D116-F157 WeakPolarHBondContact OD1-CB 3.39Å; D116-F157 PolarHBondContact OD1-N 2.85Å; L122-F157 HydrophobicContact CD2-CE2 3.87Å; L122-F157 HydrophobicContact CD2-CZ 4.24Å; L122-F157 HydrophobicContact CG-CE2 4.11Å; I125-F157 HydrophobicContact CG2-CE2 4.39Å; I125-F157 HydrophobicContact CG2-CZ 4.42Å; N152-F157 HydrophobicContact CB-CB 3.89Å; N152-F157 HydrophobicContact CB-CD1 4.31Å; F157-D159 PolarHBondContact O-N 2.97Å; F157-E160 PolarHBondContact O-N 3.1Å; F157-C161 WeakPolarHBondContact O-CB 3.47Å; F157-C161 PolarHBondContact O-N 2.95Å; F157-C161 PolarHBondContact O-SG 2.91Å; F157-W170 AromaticContact CD1-CD1 3.68Å; F157-F173 HydrophobicContact CE1-CB 3.75Å; F157-F173 HydrophobicContact CE1-CG 4.21Å; F157-F173 HydrophobicContact CZ-CB 3.92Å; F157-F173 HydrophobicContact CZ-CD1 4.42Å; F157-F173 AromaticContact CZ-CD2 3.9Å; F157-F173 HydrophobicContact CZ-CD2 3.9Å; F157-F173 AromaticContact CZ-CG 3.84Å; F157-F173 HydrophobicContact CZ-CG 3.84Å; F157-F177 HydrophobicContact CD1-CE2 4.15Å; F157-F177 AromaticContact CE1-CE2 3.68Å; F157-F177 HydrophobicContact CE1-CE2 3.68Å; F157-F177 AromaticContact CE1-CZ 3.99Å; F157-F177 HydrophobicContact CE1-CZ 3.99Å; F157-F177 HydrophobicContact CZ-CE2 4.41Å; F157-F177 HydrophobicContact CZ-CZ 4.27Å
158Y98.5Very high97.3Very high47 Ų4754.5 Ų54.518%0.18425%0.25CS..Hα-helixtrans-58.1-48173.9170.4-99.2000111.8N152 R153 G156 E160 C161 K162 T167 W170N152-Y158 WeakPolarHBondContact O-CB 3.16Å; N152-Y158 PolarHBondContact O-N 2.92Å; R153-Y158 HydrophobicContact CG-CG 4.44Å; G156-Y158 PolarHBondContact O-N 3.41Å; Y158-E160 VanDerWaalsContact C-N 3.35Å; Y158-C161 PolarHBondContact O-N 2.86Å; Y158-K162 HydrophobicContact CE1-CD 4.07Å; Y158-K162 VanDerWaalsContact O-CB 3.27Å; Y158-K162 WeakPolarHBondContact O-CB 3.5Å; Y158-K162 PolarHBondContact O-N 3.29Å; Y158-T167 HydrophobicContact CE2-CG2 3.75Å; Y158-W170 HydrophobicContact CD2-CB 4.34Å; Y158-W170 AromaticContact CD2-CD2 3.51Å; Y158-W170 HydrophobicContact CD2-CD2 3.51Å; Y158-W170 AromaticContact CD2-CE2 3.86Å; Y158-W170 AromaticContact CD2-CE3 3.7Å; Y158-W170 HydrophobicContact CD2-CE3 3.7Å; Y158-W170 AromaticContact CD2-CG 3.78Å; Y158-W170 HydrophobicContact CD2-CG 3.78Å; Y158-W170 HydrophobicContact CD2-CZ2 4.37Å; Y158-W170 HydrophobicContact CD2-CZ3 4.23Å; Y158-W170 HydrophobicContact CE2-CD2 4.31Å; Y158-W170 HydrophobicContact CE2-CE3 4.04Å; Y158-W170 HydrophobicContact CE2-CZ3 4.43Å; Y158-W170 HydrophobicContact CG-CD2 4.44Å
159D97.3Very high97.3Very high89 Ų8954.1 Ų54.148%0.47625%0.248SC..Hα-helixtrans-68.3-36.6179.7-77-29.3000111.4G156 F157 K162 R163G156-D159 PolarHBondContact O-N 2.9Å; F157-D159 PolarHBondContact O-N 2.97Å; D159-K162 PolarHBondContact O-N 3.43Å; D159-R163 WeakPolarHBondContact O-CB 3.37Å; D159-R163 PolarHBondContact O-N 3.45Å
160E96.5Very high97.3Very high11 Ų1154.1 Ų54.15%0.05124%0.244CC..Hα-helixtrans-60.2-51.6172.8-168.3-175.2152.800111S121 L122 G156 F157 Y158 K162 R163 R164S121-E160 WeakPolarHBondContact CB-OE2 3.29Å; S121-E160 PolarHBondContact N-OE1 3.09Å; S121-E160 PolarHBondContact N-OE2 3.28Å; S121-E160 PolarHBondContact OG-OE2 2.81Å; S121-E160 VanDerWaalsContact OG-OE2 3.07Å; L122-E160 WeakPolarHBondContact CB-OE1 3.22Å; L122-E160 HydrophobicContact CD1-CG 4.2Å; L122-E160 PolarHBondContact N-OE1 2.89Å; G156-E160 WeakPolarHBondContact O-CB 3.4Å; G156-E160 PolarHBondContact O-N 3.25Å; F157-E160 PolarHBondContact O-N 3.1Å; Y158-E160 VanDerWaalsContact C-N 3.35Å; E160-K162 PolarHBondContact O-N 3.5Å; E160-R163 PolarHBondContact O-N 2.8Å; E160-R164 HydrophobicContact CG-CG 4.37Å; E160-R164 WeakPolarHBondContact O-CB 3.44Å; E160-R164 VanDerWaalsContact O-CG 3.3Å; E160-R164 WeakPolarHBondContact O-CG 3.23Å; E160-R164 PolarHBondContact O-N 3.28Å; E160-R164 IonicContact OE1-NH1 3.26Å; E160-R164 PolarHBondContact OE1-NH1 2.94Å
161C97.9Very high97.4Very high0 Ų054.4 Ų54.40%025%0.249CC..Hα-helixtrans-58.7-48.9176.5-72.20000111.7F157 Y158 R163 Y165 S166 W170F157-C161 WeakPolarHBondContact O-CB 3.47Å; F157-C161 PolarHBondContact O-N 2.95Å; F157-C161 PolarHBondContact O-SG 2.91Å; Y158-C161 PolarHBondContact O-N 2.86Å; C161-R163 PolarHBondContact O-N 2.72Å; C161-Y165 CarbonylContact O-C 3.17Å; C161-Y165 VanDerWaalsContact O-CA 3.31Å; C161-Y165 WeakPolarHBondContact O-CA 3.29Å; C161-Y165 PolarHBondContact O-N 3.13Å; C161-S166 CarbonylContact C-O 3.56Å; C161-S166 PolarHBondContact O-N 3.36Å; C161-W170 HydrophobicContact CB-CB 3.69Å
162K96.6Very high97.4Very high111 Ų11154.3 Ų54.348%0.48325%0.249SC..Hα-helixtrans-61-44.3179.5177.9-178.2172.9-169.10112.1Y158 D159 E160 T167Y158-K162 HydrophobicContact CE1-CD 4.07Å; Y158-K162 VanDerWaalsContact O-CB 3.27Å; Y158-K162 WeakPolarHBondContact O-CB 3.5Å; Y158-K162 PolarHBondContact O-N 3.29Å; D159-K162 PolarHBondContact O-N 3.43Å; E160-K162 PolarHBondContact O-N 3.5Å; K162-T167 HydrophobicContact CB-CG2 4.01Å; K162-T167 HydrophobicContact CD-CG2 4.17Å; K162-T167 HydrophobicContact CG-CG2 3.91Å
163R95Very high97.5Very high125 Ų12554.3 Ų54.347%0.47225%0.249SC..Hα-helixtrans-70.7-40.6-177.7-177.2-174.561.374.2-1.8111.8K45 D159 E160 C161K45-R163 WeakPolarHBondContact CD-O 3.17Å; K45-R163 VanDerWaalsContact CG-O 3.23Å; K45-R163 WeakPolarHBondContact CG-O 3.46Å; D159-R163 WeakPolarHBondContact O-CB 3.37Å; D159-R163 PolarHBondContact O-N 3.45Å; E160-R163 PolarHBondContact O-N 2.8Å; C161-R163 PolarHBondContact O-N 2.72Å
164R95.3Very high97.5Very high12 Ų1247.5 Ų47.55%0.04522%0.224CC..Hα-helixtrans-90.9-42.4-174.9-59.2-178.374.9-177.32111.9K45 I46 L47 L122 E123 E160K45-R164 VanDerWaalsContact CD-O 3.26Å; K45-R164 WeakPolarHBondContact CD-O 3.44Å; I46-R164 VanDerWaalsContact O-CG 3.31Å; I46-R164 WeakPolarHBondContact O-CG 3.37Å; I46-R164 PolarHBondContact O-NE 2.74Å; L47-R164 WeakPolarHBondContact CD2-O 3.42Å; L122-R164 HydrophobicContact CD1-CB 4.25Å; E123-R164 IonicContact OE1-CZ 3.02Å; E123-R164 VanDerWaalsContact OE1-CZ 3.24Å; E123-R164 IonicContact OE1-NH1 3.38Å; E123-R164 PolarHBondContact OE1-NH1 2.96Å; E123-R164 IonicContact OE1-NH2 2.88Å; E123-R164 PolarHBondContact OE1-NH2 3.32Å; E123-R164 IonicContact OE2-CZ 2.71Å; E123-R164 IonicContact OE2-NH1 3.24Å; E123-R164 PolarHBondContact OE2-NH1 3.48Å; E123-R164 IonicContact OE2-NH2 2.77Å; E160-R164 HydrophobicContact CG-CG 4.37Å; E160-R164 WeakPolarHBondContact O-CB 3.44Å; E160-R164 VanDerWaalsContact O-CG 3.3Å; E160-R164 WeakPolarHBondContact O-CG 3.23Å; E160-R164 PolarHBondContact O-N 3.28Å; E160-R164 IonicContact OE1-NH1 3.26Å; E160-R164 PolarHBondContact OE1-NH1 2.94Å
165Y96.1Very high97.6Very high6 Ų646 Ų462%0.02422%0.217CC..SBendtrans-127.3-98.5-177.1-65.1-83.8000110.5K45 L47 M48 V51 E53 L56 L122 C161 L169K45-Y165 PolarHBondContact NZ-O 3.08Å; L47-Y165 HydrophobicContact CD2-CD1 4.19Å; L47-Y165 HydrophobicContact CD2-CE1 3.99Å; M48-Y165 WeakPolarHBondContact CB-OH 3.39Å; M48-Y165 HydrophobicContact CE-CE2 3.96Å; M48-Y165 HydrophobicContact CG-CE2 4.48Å; M48-Y165 PolarHBondContact N-OH 3.23Å; V51-Y165 WeakPolarHBondContact O-CE1 3.12Å; V51-Y165 PolarHBondContact O-OH 3.46Å; E53-Y165 HydrophobicContact CB-CD1 3.8Å; E53-Y165 HydrophobicContact CB-CE1 4.44Å; E53-Y165 HydrophobicContact CG-CD1 4.19Å; L56-Y165 HydrophobicContact CD1-CD1 4.37Å; L56-Y165 HydrophobicContact CD1-CD2 4.05Å; L56-Y165 HydrophobicContact CD1-CE1 4.01Å; L56-Y165 HydrophobicContact CD1-CE2 3.7Å; L56-Y165 HydrophobicContact CD1-CG 4.37Å; L122-Y165 HydrophobicContact CD1-CD2 3.65Å; L122-Y165 HydrophobicContact CD1-CE2 3.82Å; C161-Y165 CarbonylContact O-C 3.17Å; C161-Y165 VanDerWaalsContact O-CA 3.31Å; C161-Y165 WeakPolarHBondContact O-CA 3.29Å; C161-Y165 PolarHBondContact O-N 3.13Å; Y165-L169 HydrophobicContact CD2-CD2 3.75Å; Y165-L169 HydrophobicContact CG-CD2 3.69Å
166S97.5Very high97.6Very high24 Ų2441.5 Ų41.517%0.16820%0.2CC..  trans-150.1164.9-178.677.30000112E53 C161 K168 L169 W170E53-S166 VanDerWaalsContact OE1-CB 3.27Å; E53-S166 WeakPolarHBondContact OE1-CB 3.32Å; E53-S166 PolarHBondContact OE1-OG 3.05Å; C161-S166 CarbonylContact C-O 3.56Å; C161-S166 PolarHBondContact O-N 3.36Å; S166-K168 PolarHBondContact O-N 3.11Å; S166-K168 WeakPolarHBondContact OG-CB 3.33Å; S166-K168 PolarHBondContact OG-N 3.29Å; S166-K168 VanDerWaalsContact OG-N 3.17Å; S166-L169 PolarHBondContact O-N 2.94Å; S166-L169 PolarHBondContact OG-N 3.31Å; S166-W170 PolarHBondContact O-N 3.49Å
167T98.1Very high97.8Very high57 Ų5740.4 Ų40.435%0.3519%0.188SC..Hα-helixtrans-70.3-19.9168.255.30000112.2Y158 K162 K171Y158-T167 HydrophobicContact CE2-CG2 3.75Å; K162-T167 HydrophobicContact CB-CG2 4.01Å; K162-T167 HydrophobicContact CD-CG2 4.17Å; K162-T167 HydrophobicContact CG-CG2 3.91Å; T167-K171 WeakPolarHBondContact O-CG 3.37Å; T167-K171 PolarHBondContact O-N 2.89Å
168K98.6Very high97.9Very high119 Ų11941 Ų4152%0.51719%0.191SC..Hα-helixtrans-65.8-44.2171.5176.7-171.4173.6-170.20110S166 W170 K171 V172S166-K168 PolarHBondContact O-N 3.11Å; S166-K168 WeakPolarHBondContact OG-CB 3.33Å; S166-K168 PolarHBondContact OG-N 3.29Å; S166-K168 VanDerWaalsContact OG-N 3.17Å; K168-W170 VanDerWaalsContact C-N 3.33Å; K168-W170 PolarHBondContact O-N 3.38Å; K168-K171 PolarHBondContact O-N 3.39Å; K168-V172 PolarHBondContact O-N 2.94Å
169L98.6Very high97.9Very high0 Ų038.8 Ų38.80%018%0.183CC..Hα-helixtrans-58.1-46.5177.7-177.464.1000111.6E53 L56 L57 L122 Y165 S166 K171 V172 F173E53-L169 HydrophobicContact CG-CB 4.5Å; L56-L169 HydrophobicContact CB-CD1 3.61Å; L56-L169 HydrophobicContact CB-CD2 4.34Å; L56-L169 HydrophobicContact CD1-CD2 3.73Å; L57-L169 HydrophobicContact CD2-CD1 3.9Å; L57-L169 HydrophobicContact CG-CD1 4.13Å; L122-L169 HydrophobicContact CD2-CD2 3.99Å; Y165-L169 HydrophobicContact CD2-CD2 3.75Å; Y165-L169 HydrophobicContact CG-CD2 3.69Å; S166-L169 PolarHBondContact O-N 2.94Å; S166-L169 PolarHBondContact OG-N 3.31Å; L169-K171 PolarHBondContact O-N 2.88Å; L169-V172 PolarHBondContact O-N 3.13Å; L169-F173 HydrophobicContact CD1-CD2 3.93Å; L169-F173 HydrophobicContact CD1-CE2 3.69Å; L169-F173 HydrophobicContact CD2-CE2 4.25Å; L169-F173 HydrophobicContact CG-CD2 3.9Å; L169-F173 HydrophobicContact CG-CE2 3.88Å; L169-F173 PolarHBondContact O-N 3.44Å
170W98.7Very high97.9Very high23 Ų2334.7 Ų34.79%0.08716%0.16CC..Hα-helixtrans-55.2-48.8175.1172.376.6000112.1N152 R153 F157 Y158 C161 S166 K168 V172 F173 T174N152-W170 PolarHBondContact OD1-NE1 2.89Å; R153-W170 HydrophobicContact CB-CZ2 4.1Å; F157-W170 AromaticContact CD1-CD1 3.68Å; Y158-W170 HydrophobicContact CD2-CB 4.34Å; Y158-W170 AromaticContact CD2-CD2 3.51Å; Y158-W170 HydrophobicContact CD2-CD2 3.51Å; Y158-W170 AromaticContact CD2-CE2 3.86Å; Y158-W170 AromaticContact CD2-CE3 3.7Å; Y158-W170 HydrophobicContact CD2-CE3 3.7Å; Y158-W170 AromaticContact CD2-CG 3.78Å; Y158-W170 HydrophobicContact CD2-CG 3.78Å; Y158-W170 HydrophobicContact CD2-CZ2 4.37Å; Y158-W170 HydrophobicContact CD2-CZ3 4.23Å; Y158-W170 HydrophobicContact CE2-CD2 4.31Å; Y158-W170 HydrophobicContact CE2-CE3 4.04Å; Y158-W170 HydrophobicContact CE2-CZ3 4.43Å; Y158-W170 HydrophobicContact CG-CD2 4.44Å; C161-W170 HydrophobicContact CB-CB 3.69Å; S166-W170 PolarHBondContact O-N 3.49Å; K168-W170 VanDerWaalsContact C-N 3.33Å; K168-W170 PolarHBondContact O-N 3.38Å; W170-V172 VanDerWaalsContact C-N 3.3Å; W170-V172 PolarHBondContact O-N 3.07Å; W170-F173 PolarHBondContact O-N 2.9Å; W170-T174 PolarHBondContact O-N 3.47Å; W170-T174 PolarHBondContact O-OG1 2.9Å; W170-T174 VanDerWaalsContact O-OG1 3.05Å
171K98.7Very high98Very high125 Ų12534.1 Ų34.154%0.54316%0.158SC..Hα-helixtrans-57.1-42.9178.2-70.1177-179.6-176.50112.1T167 K168 L169 T174 D175T167-K171 WeakPolarHBondContact O-CG 3.37Å; T167-K171 PolarHBondContact O-N 2.89Å; K168-K171 PolarHBondContact O-N 3.39Å; L169-K171 PolarHBondContact O-N 2.88Å; K171-T174 WeakPolarHBondContact O-CB 3.41Å; K171-T174 PolarHBondContact O-N 3.46Å; K171-D175 PolarHBondContact O-N 3.48Å
172V98.8Very high98.1Very high12 Ų1234.3 Ų34.37%0.07316%0.159CC..Hα-helixtrans-68.1-39-179.7174.80000111.8L57 A60 K168 L169 W170 D175 C176L57-V172 HydrophobicContact CD2-CB 3.88Å; L57-V172 HydrophobicContact CD2-CG1 4.12Å; L57-V172 HydrophobicContact CD2-CG2 3.69Å; A60-V172 HydrophobicContact CB-CG1 3.79Å; K168-V172 PolarHBondContact O-N 2.94Å; L169-V172 PolarHBondContact O-N 3.13Å; W170-V172 VanDerWaalsContact C-N 3.3Å; W170-V172 PolarHBondContact O-N 3.07Å; V172-D175 PolarHBondContact O-N 3.29Å; V172-C176 PolarHBondContact O-N 3.49Å
173F98.9Very high98.2Very high0 Ų029 Ų290%014%0.136CC..Hα-helixtrans-63.6-42.5170.7-87.8-71000112L56 A60 L122 I125 L129 F157 L169 W170 D175 C176 F177L56-F173 HydrophobicContact CB-CE2 4.45Å; A60-F173 HydrophobicContact CB-CD1 4.08Å; A60-F173 HydrophobicContact CB-CE1 4.15Å; A60-F173 HydrophobicContact CB-CG 4.4Å; L122-F173 HydrophobicContact CD2-CD2 4.37Å; L122-F173 HydrophobicContact CD2-CE2 3.78Å; L122-F173 HydrophobicContact CD2-CZ 4.41Å; I125-F173 HydrophobicContact CG1-CE1 4.32Å; I125-F173 HydrophobicContact CG2-CD1 4.33Å; I125-F173 HydrophobicContact CG2-CE1 3.82Å; I125-F173 HydrophobicContact CG2-CZ 4.16Å; L129-F173 HydrophobicContact CD1-CD1 4.34Å; L129-F173 HydrophobicContact CD1-CE1 3.84Å; F157-F173 HydrophobicContact CE1-CB 3.75Å; F157-F173 HydrophobicContact CE1-CG 4.21Å; F157-F173 HydrophobicContact CZ-CB 3.92Å; F157-F173 HydrophobicContact CZ-CD1 4.42Å; F157-F173 AromaticContact CZ-CD2 3.9Å; F157-F173 HydrophobicContact CZ-CD2 3.9Å; F157-F173 AromaticContact CZ-CG 3.84Å; F157-F173 HydrophobicContact CZ-CG 3.84Å; L169-F173 HydrophobicContact CD1-CD2 3.93Å; L169-F173 HydrophobicContact CD1-CE2 3.69Å; L169-F173 HydrophobicContact CD2-CE2 4.25Å; L169-F173 HydrophobicContact CG-CD2 3.9Å; L169-F173 HydrophobicContact CG-CE2 3.88Å; L169-F173 PolarHBondContact O-N 3.44Å; W170-F173 PolarHBondContact O-N 2.9Å; F173-D175 VanDerWaalsContact C-N 3.32Å; F173-D175 PolarHBondContact O-N 3.44Å; F173-C176 CarbonylContact O-C 3.58Å; F173-C176 WeakPolarHBondContact O-CA 3.43Å; F173-C176 VanDerWaalsContact O-CB 3.29Å; F173-C176 WeakPolarHBondContact O-CB 3.46Å; F173-C176 PolarHBondContact O-N 2.9Å; F173-C176 VanDerWaalsContact O-N 3.11Å; F173-F177 HydrophobicContact CB-CE2 4.23Å; F173-F177 HydrophobicContact CB-CZ 4.14Å; F173-F177 HydrophobicContact CD1-CE1 4.28Å; F173-F177 HydrophobicContact CD1-CZ 4.21Å; F173-F177 WeakPolarHBondContact O-CD1 3.34Å; F173-F177 WeakPolarHBondContact O-CD2 3.4Å; F173-F177 WeakPolarHBondContact O-CG 3.48Å; F173-F177 PolarHBondContact O-N 3.19Å
174T98.8Very high98.4Very high8 Ų823 Ų235%0.04911%0.113CC..Hα-helixtrans-57.9-43.1173.8-60.50000112.1W170 K171 C176 F177 N178W170-T174 PolarHBondContact O-N 3.47Å; W170-T174 PolarHBondContact O-OG1 2.9Å; W170-T174 VanDerWaalsContact O-OG1 3.05Å; K171-T174 WeakPolarHBondContact O-CB 3.41Å; K171-T174 PolarHBondContact O-N 3.46Å; T174-C176 VanDerWaalsContact C-N 3.28Å; T174-C176 PolarHBondContact O-N 2.83Å; T174-F177 WeakPolarHBondContact O-CB 3.45Å; T174-F177 PolarHBondContact O-N 3.07Å; T174-N178 VanDerWaalsContact O-CG 3.32Å; T174-N178 PolarHBondContact O-N 3.41Å; T174-N178 PolarHBondContact O-ND2 3.2Å
175D98.7Very high98.5Very high79 Ų7923 Ų2342%0.42211%0.114SC..Hα-helixtrans-63.5-34.5176-70.6-23.3000112.2K171 V172 F173 C179K171-D175 PolarHBondContact O-N 3.48Å; V172-D175 PolarHBondContact O-N 3.29Å; F173-D175 VanDerWaalsContact C-N 3.32Å; F173-D175 PolarHBondContact O-N 3.44Å; D175-C179 PolarHBondContact O-SG 3.5Å
176C98.8Very high98.6Very high0 Ų022.7 Ų22.70%011%0.113CC..Hα-helixtrans-66.1-46.8170.9-176.90000111.3A60 R64 V172 F173 T174 N178 C179A60-C176 HydrophobicContact CB-CB 4.41Å; R64-C176 HydrophobicContact CB-CB 4.18Å; V172-C176 PolarHBondContact O-N 3.49Å; F173-C176 CarbonylContact O-C 3.58Å; F173-C176 WeakPolarHBondContact O-CA 3.43Å; F173-C176 VanDerWaalsContact O-CB 3.29Å; F173-C176 WeakPolarHBondContact O-CB 3.46Å; F173-C176 PolarHBondContact O-N 2.9Å; F173-C176 VanDerWaalsContact O-N 3.11Å; T174-C176 VanDerWaalsContact C-N 3.28Å; T174-C176 PolarHBondContact O-N 2.83Å; C176-N178 VanDerWaalsContact C-N 3.28Å; C176-N178 PolarHBondContact O-N 3.01Å; C176-C179 WeakPolarHBondContact O-CA 3.34Å; C176-C179 WeakPolarHBondContact O-CB 3.07Å; C176-C179 PolarHBondContact O-N 3.22Å
177F98.9Very high98.6Very high1 Ų123.2 Ų23.20%0.00411%0.113CC..Hα-helixtrans-61-35.7179.9-64.1-20.7000113.2V115 I125 R143 E147 F157 F173 T174 C179 L180V115-F177 HydrophobicContact CG1-CE2 4.48Å; V115-F177 HydrophobicContact CG1-CZ 4.03Å; I125-F177 HydrophobicContact CD1-CE1 3.98Å; I125-F177 HydrophobicContact CG1-CE1 3.74Å; I125-F177 HydrophobicContact CG1-CZ 3.97Å; R143-F177 PolarHBondContact NE-O 3.33Å; E147-F177 HydrophobicContact CB-CB 3.94Å; E147-F177 HydrophobicContact CB-CD1 4.22Å; E147-F177 HydrophobicContact CB-CD2 4.06Å; E147-F177 HydrophobicContact CB-CG 3.83Å; E147-F177 HydrophobicContact CG-CD1 3.85Å; E147-F177 HydrophobicContact CG-CD2 4.13Å; E147-F177 HydrophobicContact CG-CE1 4.03Å; E147-F177 HydrophobicContact CG-CE2 4.29Å; E147-F177 HydrophobicContact CG-CG 3.92Å; E147-F177 HydrophobicContact CG-CZ 4.24Å; E147-F177 WeakPolarHBondContact O-CB 3.48Å; F157-F177 HydrophobicContact CD1-CE2 4.15Å; F157-F177 AromaticContact CE1-CE2 3.68Å; F157-F177 HydrophobicContact CE1-CE2 3.68Å; F157-F177 AromaticContact CE1-CZ 3.99Å; F157-F177 HydrophobicContact CE1-CZ 3.99Å; F157-F177 HydrophobicContact CZ-CE2 4.41Å; F157-F177 HydrophobicContact CZ-CZ 4.27Å; F173-F177 HydrophobicContact CB-CE2 4.23Å; F173-F177 HydrophobicContact CB-CZ 4.14Å; F173-F177 HydrophobicContact CD1-CE1 4.28Å; F173-F177 HydrophobicContact CD1-CZ 4.21Å; F173-F177 WeakPolarHBondContact O-CD1 3.34Å; F173-F177 WeakPolarHBondContact O-CD2 3.4Å; F173-F177 WeakPolarHBondContact O-CG 3.48Å; F173-F177 PolarHBondContact O-N 3.19Å; T174-F177 WeakPolarHBondContact O-CB 3.45Å; T174-F177 PolarHBondContact O-N 3.07Å; F177-C179 PolarHBondContact O-N 3.23Å; F177-L180 HydrophobicContact CB-CD1 4.24Å; F177-L180 HydrophobicContact CD1-CD1 3.9Å; F177-L180 HydrophobicContact CG-CD1 4.42Å; F177-L180 WeakPolarHBondContact O-CB 3.38Å; F177-L180 PolarHBondContact O-N 2.86Å; F177-L180 VanDerWaalsContact O-N 3.09Å
178N98.8Very high98.6Very high13 Ų1325.3 Ų25.37%0.0712%0.122CC..THydrogen-bonded Turntrans-61.4-14.2174.1-71.7-21.4000113.6R143 T174 C176 P213 T214R143-N178 PolarHBondContact NH2-OD1 3.43Å; T174-N178 VanDerWaalsContact O-CG 3.32Å; T174-N178 PolarHBondContact O-N 3.41Å; T174-N178 PolarHBondContact O-ND2 3.2Å; C176-N178 VanDerWaalsContact C-N 3.28Å; C176-N178 PolarHBondContact O-N 3.01Å; N178-P213 HydrophobicContact CB-CB 3.95Å; N178-P213 VanDerWaalsContact O-CA 3.23Å; N178-P213 WeakPolarHBondContact O-CA 3.49Å; N178-T214 WeakPolarHBondContact CB-O 3.47Å; N178-T214 PolarHBondContact O-N 2.89Å; N178-T214 PolarHBondContact OD1-O 3.12Å
179C98.8Very high98.5Very high0 Ų020.4 Ų20.40%010%0.103CC..THydrogen-bonded Turntrans-102.2-3.8178.4-54.50000113.6R64 F67 M68 D175 C176 F177 R212R64-C179 HydrophobicContact CG-CB 4.3Å; R64-C179 WeakPolarHBondContact CG-SG 3.22Å; F67-C179 HydrophobicContact CB-CB 4.11Å; F67-C179 WeakPolarHBondContact CB-O 3.28Å; M68-C179 HydrophobicContact CG-CB 3.97Å; M68-C179 HydrophobicContact SD-CB 4.02Å; M68-C179 VanDerWaalsContact SD-SG 3.67Å; D175-C179 PolarHBondContact O-SG 3.5Å; C176-C179 WeakPolarHBondContact O-CA 3.34Å; C176-C179 WeakPolarHBondContact O-CB 3.07Å; C176-C179 PolarHBondContact O-N 3.22Å; F177-C179 PolarHBondContact O-N 3.23Å; C179-R212 VanDerWaalsContact O-CZ 3.29Å; C179-R212 PolarHBondContact O-NH1 3.06Å
180L98.8Very high98.5Very high2 Ų220.7 Ų20.71%0.0111%0.105CC..  trans-63.4145.8-176.8-75.6166.8000112.3F67 V141 R143 E147 F177 R212F67-L180 HydrophobicContact CD1-CD2 4.18Å; F67-L180 HydrophobicContact CD2-CD2 3.83Å; F67-L180 HydrophobicContact CE1-CD2 3.88Å; F67-L180 HydrophobicContact CE2-CD2 3.49Å; F67-L180 VanDerWaalsContact CE2-CD2 3.49Å; F67-L180 HydrophobicContact CE2-CG 4.48Å; F67-L180 HydrophobicContact CG-CD2 4.18Å; F67-L180 HydrophobicContact CZ-CD2 3.53Å; V141-L180 HydrophobicContact CB-CD2 4.31Å; V141-L180 HydrophobicContact CG1-CD2 3.92Å; R143-L180 HydrophobicContact CB-CB 3.72Å; R143-L180 HydrophobicContact CB-CD1 4.23Å; R143-L180 HydrophobicContact CG-CB 4.1Å; R143-L180 HydrophobicContact CG-CD1 4.12Å; E147-L180 HydrophobicContact CB-CD1 3.93Å; E147-L180 HydrophobicContact CG-CD1 3.88Å; F177-L180 HydrophobicContact CB-CD1 4.24Å; F177-L180 HydrophobicContact CD1-CD1 3.9Å; F177-L180 HydrophobicContact CG-CD1 4.42Å; F177-L180 WeakPolarHBondContact O-CB 3.38Å; F177-L180 PolarHBondContact O-N 2.86Å; F177-L180 VanDerWaalsContact O-N 3.09Å; L180-R212 VanDerWaalsContact O-CD 3.31Å; L180-R212 WeakPolarHBondContact O-CD 3.18Å; L180-R212 PolarHBondContact O-NH1 3.36Å; L180-R212 VanDerWaalsContact O-NH1 3.14Å
181P98.7Very high98.5Very high0 Ų019.6 Ų19.60%010%0.101CC..  trans-58.3154.5166.1-24.232.7000111.8V74 V141 L142 R143 R212V74-P181 HydrophobicContact CG1-CB 3.86Å; V74-P181 HydrophobicContact CG1-CG 3.8Å; V141-P181 WeakPolarHBondContact O-CD 3.41Å; L142-P181 CarbonylContact C-O 3.51Å; L142-P181 WeakPolarHBondContact CA-O 3.13Å; L142-P181 HydrophobicContact CD2-CB 3.9Å; R143-P181 WeakPolarHBondContact CB-O 3.34Å; R143-P181 PolarHBondContact N-O 2.64Å; P181-R212 VanDerWaalsContact CA-NH1 3.26Å; P181-R212 VanDerWaalsContact CD-NH1 3.35Å
182L98.8Very high98.5Very high3 Ų313.7 Ų13.72%0.0168%0.075CC..  trans-104.3-24.7-176.7-66.2174.7000113.1V72 R143 I210 I222 L225 L226V72-L182 HydrophobicContact CG1-CB 3.87Å; V72-L182 HydrophobicContact CG1-CD1 3.84Å; V72-L182 HydrophobicContact CG1-CG 3.97Å; V72-L182 PolarHBondContact O-N 3.1Å; R143-L182 HydrophobicContact CB-CD2 4.02Å; L182-I210 HydrophobicContact CD1-CD1 3.88Å; L182-I210 HydrophobicContact CD1-CG2 4.12Å; L182-I222 HydrophobicContact CD1-CB 4.28Å; L182-I222 HydrophobicContact CD1-CD1 4.44Å; L182-I222 HydrophobicContact CD1-CG1 3.8Å; L182-I222 HydrophobicContact CD1-CG2 4.06Å; L182-I222 HydrophobicContact CD2-CG2 4.12Å; L182-L225 HydrophobicContact CB-CD1 4.14Å; L182-L226 HydrophobicContact CD2-CD1 4.46Å; L182-L226 HydrophobicContact CD2-CD2 4.31Å
183A98.8Very high98.5Very high0 Ų013.1 Ų13.10%07%0.071CC..EExtended strand (participates in β ladder)trans-149.2160.4-178.800000111.4V72 L73 V74 F191 C192 A193 L207V72-A183 PolarHBondContact O-N 2.72Å; L73-A183 WeakPolarHBondContact CA-O 3.32Å; L73-A183 HydrophobicContact CD1-CB 3.79Å; V74-A183 PolarHBondContact N-O 3.08Å; A183-F191 HydrophobicContact CB-CE2 3.64Å; A183-F191 HydrophobicContact CB-CZ 3.75Å; A183-C192 CarbonylContact C-O 3.6Å; A183-C192 WeakPolarHBondContact CA-O 3.49Å; A183-C192 WeakPolarHBondContact CB-O 3.44Å; A183-A193 HydrophobicContact CB-CB 4.45Å; A183-L207 HydrophobicContact CB-CD1 3.98Å
184A98.7Very high98.5Very high0 Ų013.1 Ų13.10%07%0.071CC..EExtended strand (participates in β ladder)trans-122.9149.4168.300000110.9V74 I76 L109 L142 C192V74-A184 HydrophobicContact CG2-CB 3.56Å; V74-A184 CarbonylContact O-C 3.43Å; V74-A184 WeakPolarHBondContact O-CA 3.2Å; I76-A184 HydrophobicContact CD1-CB 3.94Å; L109-A184 HydrophobicContact CD1-CB 3.86Å; L109-A184 HydrophobicContact CD2-CB 3.86Å; L142-A184 HydrophobicContact CD1-CB 4.17Å; L142-A184 HydrophobicContact CD2-CB 4.28Å; A184-C192 HydrophobicContact CB-CB 4.18Å; A184-C192 PolarHBondContact N-O 2.91Å; A184-C192 PolarHBondContact O-N 3.17Å
185L98.6Very high98.5Very high11 Ų1112.7 Ų12.76%0.0587%0.069CC..EExtended strand (participates in β ladder)trans-114.8107.3166.7-171.867.3000108.7L73 V74 I76 M190 L204 I262L73-L185 HydrophobicContact CD1-CB 4.13Å; L73-L185 HydrophobicContact CG-CB 4.45Å; V74-L185 PolarHBondContact O-N 3.24Å; I76-L185 PolarHBondContact N-O 2.88Å; L185-M190 CarbonylContact C-O 3.55Å; L185-M190 WeakPolarHBondContact CA-O 3.1Å; L185-L204 HydrophobicContact CD1-CD1 4.21Å; L185-L204 HydrophobicContact CD2-CD1 4.13Å; L185-I262 HydrophobicContact CD1-CD1 3.44Å; L185-I262 VanDerWaalsContact CD1-CD1 3.44Å
186V98.4Very high98.3Very high0 Ų09 Ų90%05%0.049CC..EExtended strand (participates in β ladder)trans-89.4130.9178.1177.10000109.5I76 L80 L109 N188 S189 M190 I306I76-V186 HydrophobicContact CB-CG2 4.38Å; I76-V186 CarbonylContact O-C 3.53Å; I76-V186 VanDerWaalsContact O-CA 3.23Å; I76-V186 WeakPolarHBondContact O-CA 3.26Å; L80-V186 HydrophobicContact CD1-CG1 4.39Å; L80-V186 HydrophobicContact CD1-CG2 3.92Å; L80-V186 HydrophobicContact CD2-CG1 3.63Å; L109-V186 HydrophobicContact CD2-CG2 3.98Å; V186-N188 PolarHBondContact O-N 3.09Å; V186-S189 PolarHBondContact O-N 2.78Å; V186-M190 HydrophobicContact CB-CB 3.98Å; V186-M190 HydrophobicContact CB-CE 4.47Å; V186-M190 HydrophobicContact CB-CG 4.27Å; V186-M190 HydrophobicContact CB-SD 4.07Å; V186-M190 HydrophobicContact CG1-CE 4.1Å; V186-M190 HydrophobicContact CG1-SD 4.18Å; V186-M190 PolarHBondContact N-O 2.93Å; V186-M190 PolarHBondContact O-N 2.85Å; V186-I306 HydrophobicContact CG1-CD1 4.33Å
187D97.2Very high98.3Very high34 Ų349 Ų918%0.1825%0.049CC..THydrogen-bonded Turntrans48.235.2178.3-62.1-31.9000113.6I76 N77 S78 S189 S310I76-D187 PolarHBondContact O-N 2.84Å; N77-D187 WeakPolarHBondContact CA-OD1 3.33Å; S78-D187 WeakPolarHBondContact CB-OD2 3.47Å; S78-D187 PolarHBondContact N-OD1 3.43Å; S78-D187 VanDerWaalsContact OG-CG 3.26Å; S78-D187 PolarHBondContact OG-OD1 2.73Å; S78-D187 PolarHBondContact OG-OD2 3.13Å; D187-S189 PolarHBondContact O-N 2.97Å; D187-S189 PolarHBondContact O-OG 2.92Å; D187-S310 PolarHBondContact OD2-OG 2.81Å
188N97Very high98.3Very high101 Ų1019 Ų954%0.545%0.05SC..THydrogen-bonded Turntrans54.115.1-178.3-58.7-54.6000115.8V186V186-N188 PolarHBondContact O-N 3.09Å
189S96.9Very high98.3Very high17 Ų179.5 Ų9.512%0.1195%0.053CC..THydrogen-bonded Turntrans-150.5-4.5-174.1610000115V186 D187 I262 K263 L264V186-S189 PolarHBondContact O-N 2.78Å; D187-S189 PolarHBondContact O-N 2.97Å; D187-S189 PolarHBondContact O-OG 2.92Å; S189-I262 CarbonylContact O-C 3.55Å; S189-I262 WeakPolarHBondContact O-CG2 3.47Å; S189-K263 PolarHBondContact O-N 2.96Å; S189-L264 PolarHBondContact O-N 3.42Å
190M98.3Very high98.2Very high6 Ų613.3 Ų13.33%0.037%0.074CC..EExtended strand (participates in β ladder)trans-113.8112.3174.7175.3-170.7-34.100109.6I82 L185 V186 L264 V266 I306I82-M190 HydrophobicContact CD1-SD 4.07Å; L185-M190 CarbonylContact C-O 3.55Å; L185-M190 WeakPolarHBondContact CA-O 3.1Å; V186-M190 HydrophobicContact CB-CB 3.98Å; V186-M190 HydrophobicContact CB-CE 4.47Å; V186-M190 HydrophobicContact CB-CG 4.27Å; V186-M190 HydrophobicContact CB-SD 4.07Å; V186-M190 HydrophobicContact CG1-CE 4.1Å; V186-M190 HydrophobicContact CG1-SD 4.18Å; V186-M190 PolarHBondContact N-O 2.93Å; V186-M190 PolarHBondContact O-N 2.85Å; M190-L264 CarbonylContact C-O 3.47Å; M190-L264 VanDerWaalsContact CA-O 3.26Å; M190-L264 WeakPolarHBondContact CA-O 2.9Å; M190-L264 HydrophobicContact CB-CB 4.38Å; M190-L264 HydrophobicContact CE-CD2 4.13Å; M190-L264 HydrophobicContact CG-CB 4.11Å; M190-L264 HydrophobicContact CG-CD2 4.2Å; M190-L264 HydrophobicContact CG-CG 4.35Å; M190-L264 HydrophobicContact SD-CD2 4.13Å; M190-V266 HydrophobicContact CG-CG2 3.78Å; M190-V266 HydrophobicContact SD-CG2 3.63Å; M190-I306 HydrophobicContact CE-CD1 3.52Å; M190-I306 HydrophobicContact CE-CG1 4.29Å; M190-I306 HydrophobicContact SD-CD1 3.51Å; M190-I306 VanDerWaalsContact SD-CD1 3.51Å
191F98.7Very high98.2Very high0 Ų013.5 Ų13.50%08%0.075CC..EExtended strand (participates in β ladder)trans-88.9129.7-179.4-179.5-101.6000109.9L73 A183 A193 L197 L201 L204 L207 L225 F256 I262 L264 V265 V266L73-F191 HydrophobicContact CD1-CE2 4.35Å; A183-F191 HydrophobicContact CB-CE2 3.64Å; A183-F191 HydrophobicContact CB-CZ 3.75Å; F191-A193 HydrophobicContact CE1-CB 3.86Å; F191-A193 HydrophobicContact CZ-CB 4.17Å; F191-L197 HydrophobicContact CD1-CD2 4.19Å; F191-L197 HydrophobicContact CE1-CD2 4.17Å; F191-L201 HydrophobicContact CZ-CD2 4.1Å; F191-L204 HydrophobicContact CD2-CD2 3.8Å; F191-L204 HydrophobicContact CE2-CD2 3.87Å; F191-L207 HydrophobicContact CE2-CD1 4.03Å; F191-L207 HydrophobicContact CZ-CD1 4.49Å; F191-L225 HydrophobicContact CE1-CD2 4.2Å; F191-L225 HydrophobicContact CZ-CD2 3.94Å; F191-F256 HydrophobicContact CB-CE1 4.16Å; F191-F256 HydrophobicContact CB-CZ 4.42Å; F191-F256 AromaticContact CD1-CE1 3.87Å; F191-F256 HydrophobicContact CD1-CE1 3.87Å; F191-F256 AromaticContact CD1-CZ 3.82Å; F191-F256 HydrophobicContact CD1-CZ 3.82Å; F191-F256 HydrophobicContact CD2-CZ 4.13Å; F191-F256 HydrophobicContact CE1-CE1 4.47Å; F191-F256 HydrophobicContact CE1-CZ 4.07Å; F191-F256 HydrophobicContact CE2-CZ 4.36Å; F191-F256 AromaticContact CG-CE1 3.99Å; F191-F256 HydrophobicContact CG-CE1 3.99Å; F191-F256 AromaticContact CG-CZ 3.85Å; F191-F256 HydrophobicContact CG-CZ 3.85Å; F191-F256 HydrophobicContact CZ-CZ 4.33Å; F191-I262 HydrophobicContact CB-CD1 3.91Å; F191-I262 HydrophobicContact CB-CG1 4.02Å; F191-I262 HydrophobicContact CB-CG2 3.88Å; F191-L264 PolarHBondContact N-O 3Å; F191-V265 HydrophobicContact CD1-CG1 4.39Å; F191-V265 CarbonylContact O-C 3.32Å; F191-V265 VanDerWaalsContact O-CA 3.3Å; F191-V265 WeakPolarHBondContact O-CA 3.27Å; F191-V266 PolarHBondContact O-N 2.86Å
192C98.9Very high98Very high0 Ų017.4 Ų17.40%09%0.092CC..EExtended strand (participates in β ladder)trans-124.4130.4179.9-49.80000111.2L109 L111 L142 A183 A184 V266L109-C192 HydrophobicContact CD2-CB 3.86Å; L111-C192 HydrophobicContact CD2-CB 3.84Å; L142-C192 HydrophobicContact CD1-CB 4.5Å; A183-C192 CarbonylContact C-O 3.6Å; A183-C192 WeakPolarHBondContact CA-O 3.49Å; A183-C192 WeakPolarHBondContact CB-O 3.44Å; A184-C192 HydrophobicContact CB-CB 4.18Å; A184-C192 PolarHBondContact N-O 2.91Å; A184-C192 PolarHBondContact O-N 3.17Å; C192-V266 VanDerWaalsContact CA-O 3.23Å; C192-V266 WeakPolarHBondContact CA-O 3.25Å
193A98.8Very high97.9Very high0 Ų023.5 Ų23.50%012%0.118CC..  trans-153.1155.517300000109.1A183 F191 L225 V266 R267A183-A193 HydrophobicContact CB-CB 4.45Å; F191-A193 HydrophobicContact CE1-CB 3.86Å; F191-A193 HydrophobicContact CZ-CB 4.17Å; A193-L225 HydrophobicContact CB-CD2 4.15Å; A193-V266 PolarHBondContact N-O 3.12Å; A193-R267 WeakPolarHBondContact O-CA 3.3Å; A193-R267 WeakPolarHBondContact O-CB 3.15Å
194H98.9Very high97.9Very high0 Ų024.4 Ų24.40%012%0.123CC..SBendtrans-59.3-59-178.9-171.458.5000112.7D85 L111 D113 R143 G144 N145 L226 R267 A268 H269D85-H194 IonicContact OD1-CE1 3.33Å; D85-H194 IonicContact OD2-CE1 3.31Å; D85-H194 PolarHBondContact OD2-CE1 2.88Å; D85-H194 IonicContact OD2-ND1 3.68Å; L111-H194 WeakPolarHBondContact O-CB 3.4Å; D113-H194 IonicContact OD1-CD2 3.41Å; D113-H194 IonicContact OD1-CE1 2.88Å; D113-H194 IonicContact OD1-NE2 3.63Å; D113-H194 PolarHBondContact OD1-NE2 3.37Å; D113-H194 IonicContact OD2-CE1 3.69Å; D113-H194 PolarHBondContact OD2-CE1 3.16Å; D113-H194 VanDerWaalsContact OD2-CE1 3.26Å; D113-H194 IonicContact OD2-NE2 2.67Å; D113-H194 PolarHBondContact OD2-NE2 2.74Å; R143-H194 WeakPolarHBondContact O-CB 3.46Å; G144-H194 VanDerWaalsContact CA-CD2 3.49Å; G144-H194 WeakPolarHBondContact CA-CD2 3.01Å; N145-H194 PolarHBondContact OD1-CD2 3.45Å; N145-H194 PolarHBondContact OD1-NE2 2.96Å; N145-H194 VanDerWaalsContact OD1-NE2 3.08Å; H194-L226 HydrophobicContact CB-CD2 4.29Å; H194-R267 PolarHBondContact O-NE 3.34Å; H194-R267 PolarHBondContact O-NH2 3.3Å; H194-A268 CarbonylContact O-C 3.48Å; H194-A268 PolarHBondContact O-N 2.72Å; H194-H269 AromaticContact CD2-ND1 3.85Å; H194-H269 AromaticContact NE2-CG 3.82Å; H194-H269 AromaticContact NE2-ND1 3.39Å; H194-H269 PolarHBondContact NE2-ND1 3.48Å
195G98.6Very high97.8Very high0 Ų030.1 Ų30.10%015%0.149CC..SBendtrans-69.5-47.9175.900000113.5L225 S228 R267G195-L225 WeakPolarHBondContact CA-O 3.4Å; G195-L225 PolarHBondContact N-O 3.01Å; G195-S228 CarbonylContact C-O 3.47Å; G195-S228 PolarHBondContact O-OG 3.17Å; G195-R267 PolarHBondContact O-NE 2.93Å; G195-R267 VanDerWaalsContact O-NE 3.09Å; G195-R267 PolarHBondContact O-NH2 3.39Å
196G95.8Very high97.8Very high0 Ų032 Ų320%016%0.158CC..  trans119.2-112.2-172.400000111.1L225G196-L225 WeakPolarHBondContact O-CD2 3.49Å
197L98.4Very high97.8Very high0 Ų032 Ų320%016%0.158CC..  trans-113.2156.3-162.5-54.9-175.4000112.7F191 S228 W237 F248 V253 F256 V265F191-L197 HydrophobicContact CD1-CD2 4.19Å; F191-L197 HydrophobicContact CE1-CD2 4.17Å; L197-S228 PolarHBondContact N-OG 2.89Å; L197-S228 VanDerWaalsContact N-OG 3.08Å; L197-S228 VanDerWaalsContact O-CB 3.24Å; L197-S228 WeakPolarHBondContact O-CB 3.18Å; L197-S228 PolarHBondContact O-OG 2.94Å; L197-W237 HydrophobicContact CB-CH2 3.64Å; L197-W237 HydrophobicContact CB-CZ2 4.5Å; L197-W237 HydrophobicContact CB-CZ3 4.43Å; L197-W237 WeakPolarHBondContact O-CZ3 3.21Å; L197-F248 HydrophobicContact CB-CD1 4.12Å; L197-F248 HydrophobicContact CB-CE1 4.21Å; L197-F248 HydrophobicContact CB-CG 4.45Å; L197-F248 HydrophobicContact CD1-CD2 4.22Å; L197-F248 HydrophobicContact CD1-CE2 4.25Å; L197-F248 HydrophobicContact CG-CE1 4.39Å; L197-F248 HydrophobicContact CG-CE2 4.42Å; L197-F248 HydrophobicContact CG-CZ 4.28Å; L197-V253 HydrophobicContact CD1-CB 4.39Å; L197-V253 HydrophobicContact CD1-CG2 3.99Å; L197-F256 HydrophobicContact CD1-CB 4.07Å; L197-F256 HydrophobicContact CD1-CD1 4.12Å; L197-F256 HydrophobicContact CD1-CG 4.18Å; L197-F256 HydrophobicContact CD2-CD1 3.49Å; L197-F256 VanDerWaalsContact CD2-CD1 3.49Å; L197-F256 HydrophobicContact CD2-CD2 4.29Å; L197-F256 HydrophobicContact CD2-CE1 3.53Å; L197-F256 HydrophobicContact CD2-CE2 4.32Å; L197-F256 HydrophobicContact CD2-CG 3.88Å; L197-F256 HydrophobicContact CD2-CZ 3.96Å; L197-F256 HydrophobicContact CG-CD1 4.46Å; L197-V265 HydrophobicContact CD2-CG1 4.28Å; L197-V265 HydrophobicContact CD2-CG2 4.3Å
198S98.5Very high97.6Very high3 Ų335.2 Ų35.22%0.02118%0.175CC..  trans-120.7139.1174.3176.30000111.2D200 L201 D224 W237S198-D200 PolarHBondContact O-N 3.16Å; S198-D200 PolarHBondContact OG-N 3Å; S198-L201 PolarHBondContact O-N 2.85Å; S198-D224 WeakPolarHBondContact CB-OD2 3.44Å; S198-D224 PolarHBondContact OG-OD2 2.79Å; S198-W237 VanDerWaalsContact C-CZ2 3.49Å
199P97.7Very high97.6Very high22 Ų2237.8 Ų37.814%0.14318%0.184CC..THydrogen-bonded Turntrans-63.5-17.5168.927.8-34.3000112.4K202 D224 W237 Y246P199-K202 WeakPolarHBondContact O-CE 3.34Å; P199-K202 PolarHBondContact O-NZ 2.85Å; P199-D224 WeakPolarHBondContact CD-OD2 3.49Å; P199-W237 HydrophobicContact CB-CD2 3.74Å; P199-W237 HydrophobicContact CB-CE3 4.22Å; P199-W237 HydrophobicContact CB-CG 4.04Å; P199-W237 HydrophobicContact CB-CZ2 4.11Å; P199-W237 VanDerWaalsContact CD-CZ3 3.49Å; P199-W237 HydrophobicContact CG-CD2 4.23Å; P199-W237 HydrophobicContact CG-CE3 4.23Å; P199-W237 HydrophobicContact CG-CZ3 4.49Å; P199-W237 VanDerWaalsContact N-CH2 3.28Å; P199-Y246 HydrophobicContact CG-CD2 3.66Å; P199-Y246 HydrophobicContact CG-CE2 3.72Å; P199-Y246 HydrophobicContact CG-CG 4.39Å
200D97.6Very high97.7Very high81 Ų8138.3 Ų38.343%0.43319%0.185SC..THydrogen-bonded Turntrans-94.8-11.5179.8-67.8-24.2000113.2S198 K202 Q206 I221S198-D200 PolarHBondContact O-N 3.16Å; S198-D200 PolarHBondContact OG-N 3Å; D200-K202 PolarHBondContact O-N 2.97Å; D200-Q206 PolarHBondContact O-NE2 3.48Å; D200-Q206 PolarHBondContact O-OE1 3.49Å; D200-I221 HydrophobicContact CB-CD1 4.33Å; D200-I221 HydrophobicContact CB-CG1 3.65Å
201L98Very high97.6Very high5 Ų548.7 Ų48.73%0.02622%0.224CC..  trans-89.897.6176.7-173.864.9000110.5F191 S198 K203 Q206 L207 I221 L225 F256F191-L201 HydrophobicContact CZ-CD2 4.1Å; S198-L201 PolarHBondContact O-N 2.85Å; L201-K203 VanDerWaalsContact CD1-O 3.27Å; L201-K203 WeakPolarHBondContact CD1-O 3.37Å; L201-Q206 HydrophobicContact CD1-CB 4.03Å; L201-L207 HydrophobicContact CD1-CD2 3.85Å; L201-L207 HydrophobicContact CD1-CG 3.92Å; L201-L207 HydrophobicContact CD2-CD1 4.47Å; L201-L207 HydrophobicContact CD2-CD2 4.27Å; L201-I221 HydrophobicContact CB-CD1 4.44Å; L201-I221 HydrophobicContact CB-CG1 4.43Å; L201-I221 HydrophobicContact CB-CG2 4.49Å; L201-I221 HydrophobicContact CD1-CD1 4.3Å; L201-I221 HydrophobicContact CD1-CG2 4.48Å; L201-L225 HydrophobicContact CD2-CD2 4.12Å; L201-F256 HydrophobicContact CD2-CE2 3.83Å; L201-F256 HydrophobicContact CD2-CZ 4.4Å; L201-F256 HydrophobicContact CG-CE2 4.12Å
202K95.4Very high97.6Very high82 Ų8250.4 Ų50.436%0.35723%0.23SC..SBendtrans-98.4-25178.2-55.3-53.9176.7-163.60113.4P199 D200P199-K202 WeakPolarHBondContact O-CE 3.34Å; P199-K202 PolarHBondContact O-NZ 2.85Å; D200-K202 PolarHBondContact O-N 2.97Å
203K97Very high97.6Very high132 Ų13253.6 Ų53.657%0.57425%0.251SS*.SBendtrans-145.4142.8179.4-59.3-175.4-179.1179.40109.7L201 E205 Q206L201-K203 VanDerWaalsContact CD1-O 3.27Å; L201-K203 WeakPolarHBondContact CD1-O 3.37Å; K203-E205 WeakPolarHBondContact CB-OE2 3.3Å; K203-E205 PolarHBondContact O-N 3.01Å; K203-Q206 WeakPolarHBondContact O-CB 3.24Å; K203-Q206 PolarHBondContact O-N 2.89Å; K203-Q206 VanDerWaalsContact O-N 3.16Å; K203-Q206 PolarHBondContact O-OE1 2.75Å
204L98Very high97.5Very high18 Ų1855.6 Ų55.69%0.09426%0.263CS..G310 helixtrans-61.3-28.3-178.5-61.8-177.7000112.6L73 L185 F191 Q206 L207 F256 C260 I262L73-L204 HydrophobicContact CD2-CB 4.04Å; L73-L204 HydrophobicContact CD2-CD1 4.48Å; L185-L204 HydrophobicContact CD1-CD1 4.21Å; L185-L204 HydrophobicContact CD2-CD1 4.13Å; F191-L204 HydrophobicContact CD2-CD2 3.8Å; F191-L204 HydrophobicContact CE2-CD2 3.87Å; L204-Q206 PolarHBondContact O-N 3.25Å; L204-L207 WeakPolarHBondContact O-CB 3.28Å; L204-L207 PolarHBondContact O-N 2.92Å; L204-F256 HydrophobicContact CD2-CE2 4.36Å; L204-F256 HydrophobicContact CD2-CZ 4.05Å; L204-C260 HydrophobicContact CD1-CB 4.48Å; L204-C260 HydrophobicContact CD2-CB 4.15Å; L204-C260 HydrophobicContact CG-CB 3.97Å; L204-I262 HydrophobicContact CD1-CD1 4.14Å
205E96.9Very high97.5Very high120 Ų12061.4 Ų61.456%0.56129%0.29SS*.G310 helixtrans-61-25.6179.2-65.774.3-163.100113.1K203 L207 N208K203-E205 WeakPolarHBondContact CB-OE2 3.3Å; K203-E205 PolarHBondContact O-N 3.01Å; E205-L207 PolarHBondContact O-N 3.3Å; E205-N208 WeakPolarHBondContact O-CB 3.41Å; E205-N208 PolarHBondContact O-N 2.85Å
206Q98.2Very high97.4Very high52 Ų5262 Ų6224%0.24329%0.294CS..G310 helixtrans-59.8-27.8175.4-67.5175.6-97.700112.1D200 L201 K203 L204 N208 E209 I221D200-Q206 PolarHBondContact O-NE2 3.48Å; D200-Q206 PolarHBondContact O-OE1 3.49Å; L201-Q206 HydrophobicContact CD1-CB 4.03Å; K203-Q206 WeakPolarHBondContact O-CB 3.24Å; K203-Q206 PolarHBondContact O-N 2.89Å; K203-Q206 VanDerWaalsContact O-N 3.16Å; K203-Q206 PolarHBondContact O-OE1 2.75Å; L204-Q206 PolarHBondContact O-N 3.25Å; Q206-N208 VanDerWaalsContact C-N 3.25Å; Q206-N208 PolarHBondContact O-N 3.36Å; Q206-E209 WeakPolarHBondContact O-CB 3.38Å; Q206-E209 PolarHBondContact O-N 3Å; Q206-I221 HydrophobicContact CB-CD1 4.2Å
207L98.4Very high97.5Very high0 Ų064.4 Ų64.40%031%0.31CS..G310 helixtrans-66.2-30.1177.1-59.7178.2000112V72 L73 A183 F191 L201 L204 E205 E209 I210 I221 L225V72-L207 VanDerWaalsContact CB-O 3.31Å; V72-L207 WeakPolarHBondContact CB-O 3.36Å; V72-L207 HydrophobicContact CG1-CB 4.28Å; L73-L207 HydrophobicContact CB-CB 4.19Å; L73-L207 HydrophobicContact CB-CD1 4.1Å; L73-L207 HydrophobicContact CD1-CD1 3.99Å; L73-L207 HydrophobicContact CD2-CD1 4.36Å; L73-L207 HydrophobicContact CG-CD1 4.38Å; A183-L207 HydrophobicContact CB-CD1 3.98Å; F191-L207 HydrophobicContact CE2-CD1 4.03Å; F191-L207 HydrophobicContact CZ-CD1 4.49Å; L201-L207 HydrophobicContact CD1-CD2 3.85Å; L201-L207 HydrophobicContact CD1-CG 3.92Å; L201-L207 HydrophobicContact CD2-CD1 4.47Å; L201-L207 HydrophobicContact CD2-CD2 4.27Å; L204-L207 WeakPolarHBondContact O-CB 3.28Å; L204-L207 PolarHBondContact O-N 2.92Å; E205-L207 PolarHBondContact O-N 3.3Å; L207-E209 PolarHBondContact O-N 2.89Å; L207-I210 HydrophobicContact CD2-CD1 3.9Å; L207-I210 WeakPolarHBondContact O-CB 3.37Å; L207-I210 PolarHBondContact O-N 3.19Å; L207-I221 HydrophobicContact CD2-CG2 3.76Å; L207-L225 HydrophobicContact CD2-CD1 3.66Å
208N94.5Very high97.4Very high101 Ų10169.6 Ų69.654%0.5434%0.338SS..G310 helixtrans-71-16.4178.1-63-38.3000112.7E205 Q206E205-N208 WeakPolarHBondContact O-CB 3.41Å; E205-N208 PolarHBondContact O-N 2.85Å; Q206-N208 VanDerWaalsContact C-N 3.25Å; Q206-N208 PolarHBondContact O-N 3.36Å
209E96.1Very high97.3Very high154 Ų15476.1 Ų76.172%0.7237%0.369SS*.G310 helixtrans-84.8-14.9178.1-57.4179175.500112.3Q206 L207 R211Q206-E209 WeakPolarHBondContact O-CB 3.38Å; Q206-E209 PolarHBondContact O-N 3Å; L207-E209 PolarHBondContact O-N 2.89Å; E209-R211 PolarHBondContact O-N 2.93Å
210I98.1Very high97.3Very high29 Ų2975.7 Ų75.715%0.14937%0.369CS..  trans-70121.5179.5-63.8171.4000109.7V72 L182 L207 I221 I222V72-I210 HydrophobicContact CG1-CB 4.3Å; V72-I210 HydrophobicContact CG1-CD1 4.3Å; V72-I210 HydrophobicContact CG2-CB 4.15Å; V72-I210 HydrophobicContact CG2-CG2 4.37Å; V72-I210 WeakPolarHBondContact CG2-O 3.36Å; L182-I210 HydrophobicContact CD1-CD1 3.88Å; L182-I210 HydrophobicContact CD1-CG2 4.12Å; L207-I210 HydrophobicContact CD2-CD1 3.9Å; L207-I210 WeakPolarHBondContact O-CB 3.37Å; L207-I210 PolarHBondContact O-N 3.19Å; I210-I221 HydrophobicContact CD1-CG2 4.07Å; I210-I222 HydrophobicContact CD1-CG1 4.07Å; I210-I222 HydrophobicContact CG2-CD1 3.7Å; I210-I222 HydrophobicContact CG2-CG1 4.12Å
211R97.6Very high97.4Very high223 Ų22373.1 Ų73.184%0.84236%0.355SS*.  trans-85.4139.1177.1-66.6-176.6179.3153.11.5111.2E209E209-R211 PolarHBondContact O-N 2.93Å
212R97.8Very high97.4Very high36 Ų3673.8 Ų73.814%0.13636%0.359CS..SBendtrans-123151.9172.4-64.6-178.7-59.5161.112.1110.1F67 M68 E70 V72 C179 L180 P181F67-R212 PolarHBondContact O-NH2 3.05Å; M68-R212 WeakPolarHBondContact CE-O 3.29Å; M68-R212 HydrophobicContact SD-CB 4.16Å; E70-R212 PolarHBondContact O-NH2 3Å; V72-R212 HydrophobicContact CG2-CG 4.3Å; C179-R212 VanDerWaalsContact O-CZ 3.29Å; C179-R212 PolarHBondContact O-NH1 3.06Å; L180-R212 VanDerWaalsContact O-CD 3.31Å; L180-R212 WeakPolarHBondContact O-CD 3.18Å; L180-R212 PolarHBondContact O-NH1 3.36Å; L180-R212 VanDerWaalsContact O-NH1 3.14Å; P181-R212 VanDerWaalsContact CA-NH1 3.26Å; P181-R212 VanDerWaalsContact CD-NH1 3.35Å
213P98.4Very high97.6Very high67 Ų6769.9 Ų69.944%0.43534%0.342SS..SBendcis-67.9151.1-3.229.1-34.7000112.5N178N178-P213 HydrophobicContact CB-CB 3.95Å; N178-P213 VanDerWaalsContact O-CA 3.23Å; N178-P213 WeakPolarHBondContact O-CA 3.49Å
214T98.1Very high97.6Very high42 Ų4263.6 Ų63.626%0.25831%0.314SS..  trans-147.3144.1173.5-174.20000110.9R143 N178 I222R143-T214 PolarHBondContact NH1-O 2.93Å; N178-T214 WeakPolarHBondContact CB-O 3.47Å; N178-T214 PolarHBondContact O-N 2.89Å; N178-T214 PolarHBondContact OD1-O 3.12Å; T214-I222 HydrophobicContact CG2-CD1 3.74Å
215E97.5Very high97.7Very high122 Ų12262.8 Ų62.857%0.5731%0.31SS*.  trans-69.8163.3161.7-64.3-163.2159.400109.8P217E215-P217 WeakPolarHBondContact O-CD 3.23Å
216V97.9Very high97.8Very high13 Ų1357 Ų578%0.07928%0.283CS..  trans-78.5115.7174.6-178.40000108C148 I222 L226C148-V216 HydrophobicContact CB-CG2 3.88Å; V216-I222 HydrophobicContact CG1-CG2 4.44Å; V216-L226 HydrophobicContact CB-CD1 4.5Å; V216-L226 HydrophobicContact CG1-CD1 4Å; V216-L226 HydrophobicContact CG2-CD1 3.63Å
217P97.5Very high97.8Very high51 Ų5156 Ų5633%0.33128%0.277SS..  trans-68165.4175.831.5-35.5000111E215 M219 I222 C223E215-P217 WeakPolarHBondContact O-CD 3.23Å; P217-M219 VanDerWaalsContact C-N 3.26Å; P217-M219 WeakPolarHBondContact CG-O 3.35Å; P217-M219 PolarHBondContact O-N 3.05Å; P217-I222 HydrophobicContact CG-CB 4Å; P217-I222 HydrophobicContact CG-CD1 4.49Å; P217-C223 WeakPolarHBondContact O-CB 3.48Å
218D95.8Very high97.8Very high108 Ų10856 Ų5658%0.57828%0.277SS*.SBendtrans-74.6-14.6178.2-68.8-39.9000113.8R150R150-D218 IonicContact CZ-OD1 2.72Å; R150-D218 IonicContact NH1-OD1 3.54Å; R150-D218 PolarHBondContact NH1-OD1 2.74Å; R150-D218 IonicContact NH2-OD1 2.62Å; R150-D218 PolarHBondContact NH2-OD1 2.61Å
219M97.4Very high98Very high140 Ų14051.4 Ų51.469%0.6925%0.253SS*.SBendtrans-153.9164.3-179.462.9-176.1-67.300112.2P217P217-M219 VanDerWaalsContact C-N 3.26Å; P217-M219 WeakPolarHBondContact CG-O 3.35Å; P217-M219 PolarHBondContact O-N 3.05Å
220G97.9Very high98.1Very high14 Ų1444.9 Ų44.914%0.14422%0.223CC..SBendtrans91.4-177.4176.300000113.6I222 C223 D224G220-I222 VanDerWaalsContact C-N 3.31Å; G220-I222 PolarHBondContact O-N 3.36Å; G220-C223 WeakPolarHBondContact O-CA 3.34Å; G220-C223 VanDerWaalsContact O-CB 3.29Å; G220-C223 WeakPolarHBondContact O-CB 3.36Å; G220-C223 PolarHBondContact O-N 3.17Å; G220-D224 VanDerWaalsContact C-OD2 3.31Å; G220-D224 PolarHBondContact O-N 3.43Å
221I98.5Very high98.1Very high26 Ų2645.4 Ų45.413%0.13323%0.227CC..Hα-helixtrans-45.9-47.9-168.2-60.1176.1000113.9D200 L201 Q206 L207 I210 C223 D224 L225D200-I221 HydrophobicContact CB-CD1 4.33Å; D200-I221 HydrophobicContact CB-CG1 3.65Å; L201-I221 HydrophobicContact CB-CD1 4.44Å; L201-I221 HydrophobicContact CB-CG1 4.43Å; L201-I221 HydrophobicContact CB-CG2 4.49Å; L201-I221 HydrophobicContact CD1-CD1 4.3Å; L201-I221 HydrophobicContact CD1-CG2 4.48Å; Q206-I221 HydrophobicContact CB-CD1 4.2Å; L207-I221 HydrophobicContact CD2-CG2 3.76Å; I210-I221 HydrophobicContact CD1-CG2 4.07Å; I221-C223 PolarHBondContact O-N 3.43Å; I221-D224 PolarHBondContact O-N 3.44Å; I221-L225 HydrophobicContact CG2-CD1 3.8Å; I221-L225 HydrophobicContact CG2-CG 4.03Å; I221-L225 WeakPolarHBondContact O-CB 3.42Å; I221-L225 VanDerWaalsContact O-CG 3.22Å; I221-L225 WeakPolarHBondContact O-CG 3.43Å; I221-L225 PolarHBondContact O-N 2.97Å
222I98.6Very high97.9Very high19 Ų1937.7 Ų37.710%0.09722%0.216CC..Hα-helixtrans-63-43.3-179.3-54.4179.9000111.2L182 I210 T214 V216 P217 G220 L226L182-I222 HydrophobicContact CD1-CB 4.28Å; L182-I222 HydrophobicContact CD1-CD1 4.44Å; L182-I222 HydrophobicContact CD1-CG1 3.8Å; L182-I222 HydrophobicContact CD1-CG2 4.06Å; L182-I222 HydrophobicContact CD2-CG2 4.12Å; I210-I222 HydrophobicContact CD1-CG1 4.07Å; I210-I222 HydrophobicContact CG2-CD1 3.7Å; I210-I222 HydrophobicContact CG2-CG1 4.12Å; T214-I222 HydrophobicContact CG2-CD1 3.74Å; V216-I222 HydrophobicContact CG1-CG2 4.44Å; P217-I222 HydrophobicContact CG-CB 4Å; P217-I222 HydrophobicContact CG-CD1 4.49Å; G220-I222 VanDerWaalsContact C-N 3.31Å; G220-I222 PolarHBondContact O-N 3.36Å; I222-L226 HydrophobicContact CG2-CD1 4.27Å; I222-L226 WeakPolarHBondContact O-CD1 3.28Å; I222-L226 WeakPolarHBondContact O-CG 3.34Å
223C98.7Very high97.8Very high0 Ų040.3 Ų40.30%024%0.241CC..Hα-helixtrans-61.7-50.3176.9175.30000109.8P217 G220 I221 L225 L226 W227 V244P217-C223 WeakPolarHBondContact O-CB 3.48Å; G220-C223 WeakPolarHBondContact O-CA 3.34Å; G220-C223 VanDerWaalsContact O-CB 3.29Å; G220-C223 WeakPolarHBondContact O-CB 3.36Å; G220-C223 PolarHBondContact O-N 3.17Å; I221-C223 PolarHBondContact O-N 3.43Å; C223-L225 PolarHBondContact O-N 3.41Å; C223-L226 PolarHBondContact O-N 2.99Å; C223-L226 VanDerWaalsContact O-N 3.1Å; C223-W227 WeakPolarHBondContact O-CB 3.43Å; C223-W227 VanDerWaalsContact O-CD1 3.3Å; C223-W227 PolarHBondContact O-N 2.81Å; C223-V244 VanDerWaalsContact SG-CG2 3.5Å
224D98.7Very high97.5Very high1 Ų139.2 Ų39.21%0.00523%0.228CC..Hα-helixtrans-69.1-41.4-170.9-48.2-36000112.4S198 P199 G220 I221 L226 W227 S228 S245S198-D224 WeakPolarHBondContact CB-OD2 3.44Å; S198-D224 PolarHBondContact OG-OD2 2.79Å; P199-D224 WeakPolarHBondContact CD-OD2 3.49Å; G220-D224 VanDerWaalsContact C-OD2 3.31Å; G220-D224 PolarHBondContact O-N 3.43Å; I221-D224 PolarHBondContact O-N 3.44Å; D224-L226 PolarHBondContact O-N 3.3Å; D224-W227 PolarHBondContact O-N 3.28Å; D224-W227 VanDerWaalsContact O-N 3.15Å; D224-S228 VanDerWaalsContact O-CB 3.24Å; D224-S228 WeakPolarHBondContact O-CB 3.22Å; D224-S228 PolarHBondContact O-N 3.41Å; D224-S228 PolarHBondContact O-OG 3.37Å; D224-S228 VanDerWaalsContact O-OG 3.09Å; D224-S245 WeakPolarHBondContact CA-OG 3.37Å; D224-S245 PolarHBondContact OD1-OG 3.46Å
225L98.8Very high97.4Very high0 Ų042.8 Ų42.80%025%0.25CC..Hα-helixtrans-59-17.2174.8-72-176000113.8L182 F191 A193 G195 G196 L201 L207 I221 C223L182-L225 HydrophobicContact CB-CD1 4.14Å; F191-L225 HydrophobicContact CE1-CD2 4.2Å; F191-L225 HydrophobicContact CZ-CD2 3.94Å; A193-L225 HydrophobicContact CB-CD2 4.15Å; G195-L225 WeakPolarHBondContact CA-O 3.4Å; G195-L225 PolarHBondContact N-O 3.01Å; G196-L225 WeakPolarHBondContact O-CD2 3.49Å; L201-L225 HydrophobicContact CD2-CD2 4.12Å; L207-L225 HydrophobicContact CD2-CD1 3.66Å; I221-L225 HydrophobicContact CG2-CD1 3.8Å; I221-L225 HydrophobicContact CG2-CG 4.03Å; I221-L225 WeakPolarHBondContact O-CB 3.42Å; I221-L225 VanDerWaalsContact O-CG 3.22Å; I221-L225 WeakPolarHBondContact O-CG 3.43Å; I221-L225 PolarHBondContact O-N 2.97Å; C223-L225 PolarHBondContact O-N 3.41Å
226L98.8Very high97.4Very high0 Ų037.8 Ų37.80%023%0.231CC..Hα-helixtrans-106-21179.7-58.9-179.8000113.3R143 N145 L182 H194 V216 I222 C223 D224R143-L226 HydrophobicContact CB-CD2 4.15Å; R143-L226 HydrophobicContact CG-CD1 4.46Å; R143-L226 HydrophobicContact CG-CD2 4.4Å; R143-L226 WeakPolarHBondContact O-CD2 3.34Å; N145-L226 HydrophobicContact CB-CB 4.18Å; L182-L226 HydrophobicContact CD2-CD1 4.46Å; L182-L226 HydrophobicContact CD2-CD2 4.31Å; H194-L226 HydrophobicContact CB-CD2 4.29Å; V216-L226 HydrophobicContact CB-CD1 4.5Å; V216-L226 HydrophobicContact CG1-CD1 4Å; V216-L226 HydrophobicContact CG2-CD1 3.63Å; I222-L226 HydrophobicContact CG2-CD1 4.27Å; I222-L226 WeakPolarHBondContact O-CD1 3.28Å; I222-L226 WeakPolarHBondContact O-CG 3.34Å; C223-L226 PolarHBondContact O-N 2.99Å; C223-L226 VanDerWaalsContact O-N 3.1Å; D224-L226 PolarHBondContact O-N 3.3Å
227W98.7Very high97.4Very high29 Ų2940.9 Ų40.911%0.1124%0.241CC..Hα-helixtrans-128.9-9.7-167.9-73.8102.9000115.3N145 I151 C223 D224 N240 V244 S245 H269N145-W227 HydrophobicContact CB-CD2 3.86Å; N145-W227 VanDerWaalsContact CB-CE2 3.43Å; N145-W227 HydrophobicContact CB-CE3 4.37Å; N145-W227 HydrophobicContact CB-CG 4.35Å; N145-W227 HydrophobicContact CB-CH2 4.21Å; N145-W227 HydrophobicContact CB-CZ2 3.64Å; N145-W227 WeakPolarHBondContact ND2-CH2 3.31Å; N145-W227 WeakPolarHBondContact ND2-CZ2 3.32Å; N145-W227 VanDerWaalsContact ND2-CZ3 3.29Å; N145-W227 WeakPolarHBondContact ND2-CZ3 3.47Å; I151-W227 HydrophobicContact CD1-CH2 3.74Å; I151-W227 HydrophobicContact CD1-CZ2 3.58Å; I151-W227 HydrophobicContact CG1-CH2 4.19Å; I151-W227 HydrophobicContact CG1-CZ2 3.72Å; C223-W227 WeakPolarHBondContact O-CB 3.43Å; C223-W227 VanDerWaalsContact O-CD1 3.3Å; C223-W227 PolarHBondContact O-N 2.81Å; D224-W227 PolarHBondContact O-N 3.28Å; D224-W227 VanDerWaalsContact O-N 3.15Å; W227-N240 PolarHBondContact O-ND2 3.26Å; W227-N240 VanDerWaalsContact O-ND2 3.09Å; W227-V244 HydrophobicContact CB-CG1 4.2Å; W227-V244 HydrophobicContact CD2-CG1 3.6Å; W227-V244 HydrophobicContact CE3-CG1 3.59Å; W227-V244 HydrophobicContact CG-CG1 3.91Å; W227-V244 HydrophobicContact CZ3-CG1 4.11Å; W227-S245 VanDerWaalsContact CB-CB 3.49Å; W227-H269 AromaticContact CE3-CE1 3.9Å; W227-H269 AromaticContact CE3-NE2 3.95Å
228S98.6Very high97.4Very high0 Ų042.8 Ų42.80%024%0.244CC..  trans-67157.5179.567.50000112.2G195 L197 D224 S245 Y246 F248 R267G195-S228 CarbonylContact C-O 3.47Å; G195-S228 PolarHBondContact O-OG 3.17Å; L197-S228 PolarHBondContact N-OG 2.89Å; L197-S228 VanDerWaalsContact N-OG 3.08Å; L197-S228 VanDerWaalsContact O-CB 3.24Å; L197-S228 WeakPolarHBondContact O-CB 3.18Å; L197-S228 PolarHBondContact O-OG 2.94Å; D224-S228 VanDerWaalsContact O-CB 3.24Å; D224-S228 WeakPolarHBondContact O-CB 3.22Å; D224-S228 PolarHBondContact O-N 3.41Å; D224-S228 PolarHBondContact O-OG 3.37Å; D224-S228 VanDerWaalsContact O-OG 3.09Å; S228-S245 WeakPolarHBondContact CA-OG 3.07Å; S228-S245 PolarHBondContact N-OG 3.4Å; S228-Y246 WeakPolarHBondContact CA-O 3.34Å; S228-Y246 WeakPolarHBondContact CB-O 3.38Å; S228-F248 WeakPolarHBondContact OG-CE1 3.34Å; S228-R267 PolarHBondContact O-NH1 2.88Å; S228-R267 PolarHBondContact O-NH2 3.18Å
229D98.6Very high97.5Very high6 Ų645.3 Ų45.33%0.03225%0.253CS..EExtended strand (participates in β ladder)trans-137.5148.9169.7-57.7-70.4000112.9N240 R242 Y246 T247 F248 R267 H269 Q270D229-N240 PolarHBondContact OD2-ND2 3.09Å; D229-R242 IonicContact OD1-CZ 3.43Å; D229-R242 IonicContact OD1-NE 3.74Å; D229-R242 IonicContact OD1-NH2 3.78Å; D229-R242 PolarHBondContact OD1-NH2 3.46Å; D229-R242 IonicContact OD2-CZ 3.71Å; D229-R242 IonicContact OD2-NE 2.7Å; D229-R242 PolarHBondContact OD2-NE 3.31Å; D229-R242 IonicContact OD2-NH2 3.76Å; D229-R242 PolarHBondContact OD2-NH2 3.37Å; D229-Y246 PolarHBondContact N-O 2.87Å; D229-T247 HydrophobicContact CB-CG2 3.94Å; D229-T247 CarbonylContact O-C 3.54Å; D229-T247 WeakPolarHBondContact O-CA 3.27Å; D229-T247 WeakPolarHBondContact O-CB 3.4Å; D229-F248 VanDerWaalsContact C-CE1 3.45Å; D229-F248 WeakPolarHBondContact O-CD1 3.47Å; D229-F248 PolarHBondContact O-N 2.85Å; D229-R267 IonicContact OD1-CZ 2.86Å; D229-R267 IonicContact OD1-NH1 3.2Å; D229-R267 PolarHBondContact OD1-NH1 3.38Å; D229-R267 IonicContact OD1-NH2 2.85Å; D229-H269 IonicContact OD1-CD2 3.29Å; D229-H269 PolarHBondContact OD1-CD2 3.01Å; D229-Q270 VanDerWaalsContact OD1-CD 3.29Å; D229-Q270 WeakPolarHBondContact OD1-CG 3.33Å
230P98.2Very high97.5Very high16 Ų1639.4 Ų39.410%0.10422%0.224CC..EExtended strand (participates in β ladder)trans-64141.3165.128.2-35.1000111.6F248 F279P230-F248 WeakPolarHBondContact CA-O 3.44Å; P230-F248 HydrophobicContact CB-CD2 4.34Å; P230-F248 HydrophobicContact CB-CE2 3.74Å; P230-F248 HydrophobicContact CB-CZ 4.04Å; P230-F248 HydrophobicContact CG-CZ 4.41Å; P230-F279 HydrophobicContact CB-CB 4.32Å; P230-F279 HydrophobicContact CB-CD1 3.51Å; P230-F279 HydrophobicContact CB-CD2 3.97Å; P230-F279 HydrophobicContact CB-CE1 3.69Å; P230-F279 HydrophobicContact CB-CE2 4.14Å; P230-F279 HydrophobicContact CB-CG 3.66Å; P230-F279 HydrophobicContact CB-CZ 4Å; P230-F279 HydrophobicContact CG-CG 4.49Å
231D97.3Very high97.4Very high40 Ų4047.4 Ų47.421%0.21426%0.257CS..  trans-145.3114.5169.1-179.9-8.4000109.5S233 Y234 T247 F248 G249D231-S233 VanDerWaalsContact C-N 3.27Å; D231-S233 VanDerWaalsContact CG-OG 3.25Å; D231-S233 PolarHBondContact O-N 3.27Å; D231-S233 WeakPolarHBondContact OD1-CB 3.46Å; D231-S233 PolarHBondContact OD1-N 3.17Å; D231-S233 PolarHBondContact OD1-OG 3.4Å; D231-S233 PolarHBondContact OD2-OG 3Å; D231-Y234 HydrophobicContact CB-CD1 4.18Å; D231-Y234 HydrophobicContact CB-CE1 3.46Å; D231-Y234 VanDerWaalsContact CB-CE1 3.46Å; D231-Y234 WeakPolarHBondContact OD2-CD1 3.35Å; D231-Y234 WeakPolarHBondContact OD2-CE1 3.3Å; D231-T247 HydrophobicContact CB-CG2 4.38Å; D231-F248 PolarHBondContact N-O 3.49Å; D231-G249 WeakPolarHBondContact O-CA 3.43Å
232G94.5Very high97.2Very high61 Ų6151.1 Ų51.163%0.62927%0.27SS*.THydrogen-bonded Turntrans-80.2-2.8-177.400000114.7Y234G232-Y234 VanDerWaalsContact C-N 3.33Å; G232-Y234 PolarHBondContact O-N 3.41Å
233S95.2Very high97.1Very high92 Ų9253.8 Ų53.864%0.64330%0.302SS*.THydrogen-bonded Turntrans-81.4-8.8-174.470.50000114.3D231D231-S233 VanDerWaalsContact C-N 3.27Å; D231-S233 VanDerWaalsContact CG-OG 3.25Å; D231-S233 PolarHBondContact O-N 3.27Å; D231-S233 WeakPolarHBondContact OD1-CB 3.46Å; D231-S233 PolarHBondContact OD1-N 3.17Å; D231-S233 PolarHBondContact OD1-OG 3.4Å; D231-S233 PolarHBondContact OD2-OG 3Å
234Y92.7Very high97.1Very high44 Ų4455.1 Ų55.117%0.17331%0.31CS..SBendtrans-150174.9-178.770.5-92.8000112.2D231 G232 K238 T247 F248D231-Y234 HydrophobicContact CB-CD1 4.18Å; D231-Y234 HydrophobicContact CB-CE1 3.46Å; D231-Y234 VanDerWaalsContact CB-CE1 3.46Å; D231-Y234 WeakPolarHBondContact OD2-CD1 3.35Å; D231-Y234 WeakPolarHBondContact OD2-CE1 3.3Å; G232-Y234 VanDerWaalsContact C-N 3.33Å; G232-Y234 PolarHBondContact O-N 3.41Å; Y234-K238 HydrophobicContact CD1-CB 4.12Å; Y234-K238 HydrophobicContact CD1-CD 3.62Å; Y234-K238 HydrophobicContact CD2-CB 3.98Å; Y234-K238 HydrophobicContact CE1-CB 3.51Å; Y234-K238 HydrophobicContact CE1-CD 3.56Å; Y234-K238 HydrophobicContact CE1-CG 4.2Å; Y234-K238 HydrophobicContact CE2-CB 3.48Å; Y234-K238 VanDerWaalsContact CE2-CB 3.48Å; Y234-K238 HydrophobicContact CG-CB 4.33Å; Y234-K238 HydrophobicContact CG-CD 4.19Å; Y234-K238 WeakPolarHBondContact OH-CB 3.25Å; Y234-K238 PolarHBondContact OH-N 3.32Å; Y234-T247 WeakPolarHBondContact CE1-OG1 3.43Å; Y234-T247 VanDerWaalsContact CZ-OG1 3.31Å; Y234-T247 VanDerWaalsContact OH-CA 3.27Å; Y234-T247 WeakPolarHBondContact OH-CA 3.24Å; Y234-T247 WeakPolarHBondContact OH-CB 3.38Å; Y234-T247 PolarHBondContact OH-O 3.34Å; Y234-T247 PolarHBondContact OH-OG1 3.09Å; Y234-F248 PolarHBondContact OH-N 3.36Å; Y234-F248 VanDerWaalsContact OH-N 3.11Å
235T96.6Very high97.1Very high117 Ų11755.8 Ų55.872%0.71832%0.315SS*.SBendtrans-107143.5179.256.80000112D251T235-D251 VanDerWaalsContact CA-OD1 3.27Å; T235-D251 WeakPolarHBondContact CA-OD1 3.48Å
236G97.3Very high97Very high16 Ų1659.8 Ų59.817%0.16533%0.331CS..SBendtrans79.7-129.2179.200000112.8G249 D251G236-G249 PolarHBondContact O-N 3.23Å; G236-D251 WeakPolarHBondContact CA-OD2 3.28Å; G236-D251 VanDerWaalsContact N-CG 3.28Å; G236-D251 PolarHBondContact N-OD1 2.99Å; G236-D251 PolarHBondContact N-OD2 2.98Å
237W97.9Very high97Very high78 Ų7860.3 Ų60.330%0.29533%0.334SS..EExtended strand (participates in β ladder)trans-123.6138.7-176-60.386.7000110L197 S198 P199 Y246 T247 F248 A252L197-W237 HydrophobicContact CB-CH2 3.64Å; L197-W237 HydrophobicContact CB-CZ2 4.5Å; L197-W237 HydrophobicContact CB-CZ3 4.43Å; L197-W237 WeakPolarHBondContact O-CZ3 3.21Å; S198-W237 VanDerWaalsContact C-CZ2 3.49Å; P199-W237 HydrophobicContact CB-CD2 3.74Å; P199-W237 HydrophobicContact CB-CE3 4.22Å; P199-W237 HydrophobicContact CB-CG 4.04Å; P199-W237 HydrophobicContact CB-CZ2 4.11Å; P199-W237 VanDerWaalsContact CD-CZ3 3.49Å; P199-W237 HydrophobicContact CG-CD2 4.23Å; P199-W237 HydrophobicContact CG-CE3 4.23Å; P199-W237 HydrophobicContact CG-CZ3 4.49Å; P199-W237 VanDerWaalsContact N-CH2 3.28Å; W237-Y246 HydrophobicContact CE3-CG 4.37Å; W237-T247 WeakPolarHBondContact CA-O 3.22Å; W237-F248 HydrophobicContact CD2-CB 4.3Å; W237-F248 HydrophobicContact CE3-CB 3.79Å; W237-F248 HydrophobicContact CH2-CB 3.97Å; W237-F248 HydrophobicContact CH2-CD1 4.46Å; W237-F248 HydrophobicContact CH2-CG 4.49Å; W237-F248 HydrophobicContact CZ2-CB 4.45Å; W237-F248 HydrophobicContact CZ3-CB 3.63Å; W237-F248 HydrophobicContact CZ3-CD1 4.04Å; W237-F248 HydrophobicContact CZ3-CG 4.25Å; W237-A252 HydrophobicContact CZ2-CB 4.13Å
238K97.5Very high97Very high92 Ų9258.9 Ų58.940%0.433%0.329SS..EExtended strand (participates in β ladder)trans-132.7153.5176.3-175.4-174.3167.1-1640109.4Y234 N240 Y246 T247Y234-K238 HydrophobicContact CD1-CB 4.12Å; Y234-K238 HydrophobicContact CD1-CD 3.62Å; Y234-K238 HydrophobicContact CD2-CB 3.98Å; Y234-K238 HydrophobicContact CE1-CB 3.51Å; Y234-K238 HydrophobicContact CE1-CD 3.56Å; Y234-K238 HydrophobicContact CE1-CG 4.2Å; Y234-K238 HydrophobicContact CE2-CB 3.48Å; Y234-K238 VanDerWaalsContact CE2-CB 3.48Å; Y234-K238 HydrophobicContact CG-CB 4.33Å; Y234-K238 HydrophobicContact CG-CD 4.19Å; Y234-K238 WeakPolarHBondContact OH-CB 3.25Å; Y234-K238 PolarHBondContact OH-N 3.32Å; K238-N240 PolarHBondContact O-N 3.27Å; K238-Y246 CarbonylContact O-C 3.54Å; K238-Y246 WeakPolarHBondContact O-CA 3.28Å; K238-Y246 WeakPolarHBondContact O-CB 3.39Å; K238-T247 PolarHBondContact N-O 2.82Å; K238-T247 PolarHBondContact O-N 3.28Å
239E97.2Very high97Very high161 Ų16158.9 Ų58.975%0.75233%0.329SS*.EExtended strand (participates in β ladder)trans-56.4134.4171-67.5-177.8173.300110.9
240N97Very high97Very high15 Ų1562.5 Ų62.58%0.0835%0.345CS..  trans-77.8140.3-180-162.7-26.6000110.9W227 D229 K238 R242 G243 V244 S245 T247W227-N240 PolarHBondContact O-ND2 3.26Å; W227-N240 VanDerWaalsContact O-ND2 3.09Å; D229-N240 PolarHBondContact OD2-ND2 3.09Å; K238-N240 PolarHBondContact O-N 3.27Å; N240-R242 HydrophobicContact CB-CB 4.44Å; N240-R242 PolarHBondContact O-N 2.92Å; N240-R242 VanDerWaalsContact O-N 3.11Å; N240-R242 WeakPolarHBondContact OD1-CG 3.39Å; N240-R242 PolarHBondContact OD1-N 3.38Å; N240-R242 VanDerWaalsContact OD1-N 3.12Å; N240-G243 PolarHBondContact O-N 3.45Å; N240-V244 VanDerWaalsContact CB-O 3.31Å; N240-V244 WeakPolarHBondContact CB-O 3.31Å; N240-S245 PolarHBondContact N-O 3.48Å; N240-T247 HydrophobicContact CB-CG2 4.07Å
241E95.8Very high97Very high183 Ų18365.2 Ų65.286%0.85536%0.359SS*.THydrogen-bonded Turntrans-62.4-16.4173.6-61.6-171.9170.500112.6G243E241-G243 PolarHBondContact O-N 3.5Å
242R95.1Very high97Very high103 Ų10363.6 Ų63.639%0.38935%0.351SS..THydrogen-bonded Turntrans-63.1-15.5168.7-63.3-175.1-166.6-94.710.6113.9D229 N240 V244 H269D229-R242 IonicContact OD1-CZ 3.43Å; D229-R242 IonicContact OD1-NE 3.74Å; D229-R242 IonicContact OD1-NH2 3.78Å; D229-R242 PolarHBondContact OD1-NH2 3.46Å; D229-R242 IonicContact OD2-CZ 3.71Å; D229-R242 IonicContact OD2-NE 2.7Å; D229-R242 PolarHBondContact OD2-NE 3.31Å; D229-R242 IonicContact OD2-NH2 3.76Å; D229-R242 PolarHBondContact OD2-NH2 3.37Å; N240-R242 HydrophobicContact CB-CB 4.44Å; N240-R242 PolarHBondContact O-N 2.92Å; N240-R242 VanDerWaalsContact O-N 3.11Å; N240-R242 WeakPolarHBondContact OD1-CG 3.39Å; N240-R242 PolarHBondContact OD1-N 3.38Å; N240-R242 VanDerWaalsContact OD1-N 3.12Å; R242-V244 VanDerWaalsContact C-N 3.29Å; R242-V244 HydrophobicContact CB-CG1 4.24Å; R242-H269 VanDerWaalsContact CZ-CD2 3.49Å; R242-H269 PolarHBondContact NE-NE2 2.86Å; R242-H269 VanDerWaalsContact NE-NE2 3.16Å; R242-H269 PolarHBondContact NH2-CD2 2.82Å; R242-H269 PolarHBondContact NH2-NE2 2.53Å; R242-H269 PolarHBondContact NH2-O 2.97Å
243G96.9Very high97.2Very high76 Ų7660.7 Ų60.778%0.78432%0.321SS*.SBendtrans76.813.4-176.200000114.3N240 E241N240-G243 PolarHBondContact O-N 3.45Å; E241-G243 PolarHBondContact O-N 3.5Å
244V97.9Very high97.3Very high27 Ų2759.4 Ų59.416%0.16431%0.306CS..SBendtrans-151.6148.6177.862.90000108.9C223 W227 N240 R242C223-V244 VanDerWaalsContact SG-CG2 3.5Å; W227-V244 HydrophobicContact CB-CG1 4.2Å; W227-V244 HydrophobicContact CD2-CG1 3.6Å; W227-V244 HydrophobicContact CE3-CG1 3.59Å; W227-V244 HydrophobicContact CG-CG1 3.91Å; W227-V244 HydrophobicContact CZ3-CG1 4.11Å; N240-V244 VanDerWaalsContact CB-O 3.31Å; N240-V244 WeakPolarHBondContact CB-O 3.31Å; R242-V244 VanDerWaalsContact C-N 3.29Å; R242-V244 HydrophobicContact CB-CG1 4.24Å
245S97.9Very high97.6Very high16 Ų1664.2 Ų64.211%0.11232%0.324CS..SBendtrans59.4-163.4-175.9-174.20000112.2D224 W227 S228 N240D224-S245 WeakPolarHBondContact CA-OG 3.37Å; D224-S245 PolarHBondContact OD1-OG 3.46Å; W227-S245 VanDerWaalsContact CB-CB 3.49Å; S228-S245 WeakPolarHBondContact CA-OG 3.07Å; S228-S245 PolarHBondContact N-OG 3.4Å; N240-S245 PolarHBondContact N-O 3.48Å
246Y98.2Very high97.7Very high84 Ų8459.1 Ų59.133%0.32929%0.292SS..EExtended strand (participates in β ladder)trans-125.7155.2-175.5-57-83.6000110.1P199 S228 D229 W237 K238P199-Y246 HydrophobicContact CG-CD2 3.66Å; P199-Y246 HydrophobicContact CG-CE2 3.72Å; P199-Y246 HydrophobicContact CG-CG 4.39Å; S228-Y246 WeakPolarHBondContact CA-O 3.34Å; S228-Y246 WeakPolarHBondContact CB-O 3.38Å; D229-Y246 PolarHBondContact N-O 2.87Å; W237-Y246 HydrophobicContact CE3-CG 4.37Å; K238-Y246 CarbonylContact O-C 3.54Å; K238-Y246 WeakPolarHBondContact O-CA 3.28Å; K238-Y246 WeakPolarHBondContact O-CB 3.39Å
247T98.4Very high97.7Very high10 Ų1059.2 Ų59.26%0.06129%0.288CS..EExtended strand (participates in β ladder)trans-85.7165.8153.951.20000110.1D229 D231 Y234 W237 K238 N240D229-T247 HydrophobicContact CB-CG2 3.94Å; D229-T247 CarbonylContact O-C 3.54Å; D229-T247 WeakPolarHBondContact O-CA 3.27Å; D229-T247 WeakPolarHBondContact O-CB 3.4Å; D231-T247 HydrophobicContact CB-CG2 4.38Å; Y234-T247 WeakPolarHBondContact CE1-OG1 3.43Å; Y234-T247 VanDerWaalsContact CZ-OG1 3.31Å; Y234-T247 VanDerWaalsContact OH-CA 3.27Å; Y234-T247 WeakPolarHBondContact OH-CA 3.24Å; Y234-T247 WeakPolarHBondContact OH-CB 3.38Å; Y234-T247 PolarHBondContact OH-O 3.34Å; Y234-T247 PolarHBondContact OH-OG1 3.09Å; W237-T247 WeakPolarHBondContact CA-O 3.22Å; K238-T247 PolarHBondContact N-O 2.82Å; K238-T247 PolarHBondContact O-N 3.28Å; N240-T247 HydrophobicContact CB-CG2 4.07Å
248F98.5Very high97.7Very high0 Ų061.3 Ų61.30%031%0.305CS..EExtended strand (participates in β ladder)trans-134135.9175.554.6-95.5000113L197 S228 D229 P230 D231 Y234 W237 A252 V253 F279L197-F248 HydrophobicContact CB-CD1 4.12Å; L197-F248 HydrophobicContact CB-CE1 4.21Å; L197-F248 HydrophobicContact CB-CG 4.45Å; L197-F248 HydrophobicContact CD1-CD2 4.22Å; L197-F248 HydrophobicContact CD1-CE2 4.25Å; L197-F248 HydrophobicContact CG-CE1 4.39Å; L197-F248 HydrophobicContact CG-CE2 4.42Å; L197-F248 HydrophobicContact CG-CZ 4.28Å; S228-F248 WeakPolarHBondContact OG-CE1 3.34Å; D229-F248 VanDerWaalsContact C-CE1 3.45Å; D229-F248 WeakPolarHBondContact O-CD1 3.47Å; D229-F248 PolarHBondContact O-N 2.85Å; P230-F248 WeakPolarHBondContact CA-O 3.44Å; P230-F248 HydrophobicContact CB-CD2 4.34Å; P230-F248 HydrophobicContact CB-CE2 3.74Å; P230-F248 HydrophobicContact CB-CZ 4.04Å; P230-F248 HydrophobicContact CG-CZ 4.41Å; D231-F248 PolarHBondContact N-O 3.49Å; Y234-F248 PolarHBondContact OH-N 3.36Å; Y234-F248 VanDerWaalsContact OH-N 3.11Å; W237-F248 HydrophobicContact CD2-CB 4.3Å; W237-F248 HydrophobicContact CE3-CB 3.79Å; W237-F248 HydrophobicContact CH2-CB 3.97Å; W237-F248 HydrophobicContact CH2-CD1 4.46Å; W237-F248 HydrophobicContact CH2-CG 4.49Å; W237-F248 HydrophobicContact CZ2-CB 4.45Å; W237-F248 HydrophobicContact CZ3-CB 3.63Å; W237-F248 HydrophobicContact CZ3-CD1 4.04Å; W237-F248 HydrophobicContact CZ3-CG 4.25Å; F248-A252 HydrophobicContact CB-CB 4.06Å; F248-V253 HydrophobicContact CD2-CG2 3.53Å; F248-V253 HydrophobicContact CE2-CG2 3.66Å; F248-F279 HydrophobicContact CD2-CE1 4.46Å; F248-F279 HydrophobicContact CE2-CE1 4.42Å
249G98.2Very high97.7Very high0 Ų061.1 Ų61.10%031%0.309CS..  trans-80.2171.5173.600000113.6D231 G236 D251 A252 V253D231-G249 WeakPolarHBondContact O-CA 3.43Å; G236-G249 PolarHBondContact O-N 3.23Å; G249-D251 VanDerWaalsContact C-N 3.28Å; G249-D251 PolarHBondContact O-N 3.07Å; G249-A252 WeakPolarHBondContact O-CB 3.04Å; G249-A252 PolarHBondContact O-N 3.43Å; G249-A252 VanDerWaalsContact O-N 3.16Å; G249-V253 PolarHBondContact O-N 3.14Å
250E98.1Very high97.7Very high82 Ų8254.2 Ų54.238%0.38328%0.278SS..Hα-helixtrans-58.7-36.7178.8169.3165.6-160.600112.8A252 V253 I254 F279 A280E250-A252 VanDerWaalsContact C-N 3.33Å; E250-A252 PolarHBondContact O-N 3.09Å; E250-V253 WeakPolarHBondContact O-CB 3.39Å; E250-V253 PolarHBondContact O-N 3.15Å; E250-I254 HydrophobicContact CG-CD1 3.75Å; E250-I254 HydrophobicContact CG-CG1 4.34Å; E250-I254 WeakPolarHBondContact O-CG1 3.42Å; E250-I254 PolarHBondContact O-N 2.93Å; E250-F279 HydrophobicContact CB-CZ 4.43Å; E250-A280 HydrophobicContact CB-CB 3.97Å; E250-A280 HydrophobicContact CG-CB 3.73Å
251D98Very high97.7Very high73 Ų7359.4 Ų59.439%0.3931%0.306SS..Hα-helixtrans-66.5-33.9178.164.9-61.6000112.7T235 G236 G249 R255T235-D251 VanDerWaalsContact CA-OD1 3.27Å; T235-D251 WeakPolarHBondContact CA-OD1 3.48Å; G236-D251 WeakPolarHBondContact CA-OD2 3.28Å; G236-D251 VanDerWaalsContact N-CG 3.28Å; G236-D251 PolarHBondContact N-OD1 2.99Å; G236-D251 PolarHBondContact N-OD2 2.98Å; G249-D251 VanDerWaalsContact C-N 3.28Å; G249-D251 PolarHBondContact O-N 3.07Å; D251-R255 VanDerWaalsContact O-CB 3.31Å; D251-R255 WeakPolarHBondContact O-CB 3.27Å; D251-R255 PolarHBondContact O-N 2.97Å
252A98.1Very high97.8Very high6 Ų651.2 Ų51.25%0.0527%0.268CS..Hα-helixtrans-67.5-3917400000111.3W237 F248 G249 E250 F256W237-A252 HydrophobicContact CZ2-CB 4.13Å; F248-A252 HydrophobicContact CB-CB 4.06Å; G249-A252 WeakPolarHBondContact O-CB 3.04Å; G249-A252 PolarHBondContact O-N 3.43Å; G249-A252 VanDerWaalsContact O-N 3.16Å; E250-A252 VanDerWaalsContact C-N 3.33Å; E250-A252 PolarHBondContact O-N 3.09Å; A252-F256 WeakPolarHBondContact O-CB 3.43Å; A252-F256 PolarHBondContact O-N 2.78Å
253V98.3Very high98Very high0 Ų050.5 Ų50.50%027%0.267CS..Hα-helixtrans-61-53.7172.6176.90000110.6L197 F248 G249 E250 R255 F256 M257 F279 A280 K283 V284L197-V253 HydrophobicContact CD1-CB 4.39Å; L197-V253 HydrophobicContact CD1-CG2 3.99Å; F248-V253 HydrophobicContact CD2-CG2 3.53Å; F248-V253 HydrophobicContact CE2-CG2 3.66Å; G249-V253 PolarHBondContact O-N 3.14Å; E250-V253 WeakPolarHBondContact O-CB 3.39Å; E250-V253 PolarHBondContact O-N 3.15Å; V253-R255 VanDerWaalsContact C-N 3.27Å; V253-R255 PolarHBondContact O-N 3.13Å; V253-F256 PolarHBondContact O-N 3.1Å; V253-M257 HydrophobicContact CG1-CG 4.24Å; V253-M257 HydrophobicContact CG1-SD 3.64Å; V253-M257 WeakPolarHBondContact O-CB 3.07Å; V253-M257 VanDerWaalsContact O-CG 3.27Å; V253-M257 WeakPolarHBondContact O-CG 3.44Å; V253-M257 PolarHBondContact O-N 2.79Å; V253-F279 HydrophobicContact CG2-CD1 4.35Å; V253-F279 HydrophobicContact CG2-CE1 3.93Å; V253-A280 HydrophobicContact CB-CB 4.39Å; V253-A280 HydrophobicContact CG1-CB 4.33Å; V253-A280 HydrophobicContact CG2-CB 4.45Å; V253-K283 HydrophobicContact CG1-CB 4.22Å; V253-V284 HydrophobicContact CB-CG2 4.33Å; V253-V284 HydrophobicContact CG1-CG2 3.56Å; V253-V284 HydrophobicContact CG2-CG2 3.77Å
254I98.1Very high98Very high64 Ų6447.8 Ų47.833%0.32824%0.235SC..Hα-helixtrans-58-42.7-178.7-69.2167.2000110.7E250 M257 N258 K283E250-I254 HydrophobicContact CG-CD1 3.75Å; E250-I254 HydrophobicContact CG-CG1 4.34Å; E250-I254 WeakPolarHBondContact O-CG1 3.42Å; E250-I254 PolarHBondContact O-N 2.93Å; I254-M257 PolarHBondContact O-N 3.38Å; I254-N258 WeakPolarHBondContact O-CB 3.09Å; I254-N258 VanDerWaalsContact O-CG 3.27Å; I254-N258 PolarHBondContact O-N 3.16Å; I254-N258 PolarHBondContact O-ND2 2.77Å; I254-K283 HydrophobicContact CG1-CD 4.21Å
255R97.9Very high98.1Very high146 Ų14646.5 Ų46.555%0.55123%0.227SC*.Hα-helixtrans-61-51.8176.4179.6177178.1171.24111.8D251 V253 M257 N258 D259D251-R255 VanDerWaalsContact O-CB 3.31Å; D251-R255 WeakPolarHBondContact O-CB 3.27Å; D251-R255 PolarHBondContact O-N 2.97Å; V253-R255 VanDerWaalsContact C-N 3.27Å; V253-R255 PolarHBondContact O-N 3.13Å; R255-M257 VanDerWaalsContact C-N 3.27Å; R255-M257 PolarHBondContact O-N 3.12Å; R255-N258 PolarHBondContact O-N 2.87Å; R255-D259 WeakPolarHBondContact CG-OD2 3.49Å; R255-D259 IonicContact NE-OD2 3.73Å; R255-D259 PolarHBondContact NE-OD2 3.05Å; R255-D259 WeakPolarHBondContact O-CB 3.38Å; R255-D259 VanDerWaalsContact O-CG 3.29Å; R255-D259 PolarHBondContact O-N 3.08Å
256F98.3Very high98.1Very high10 Ų1045.8 Ų45.84%0.04422%0.222CC..Hα-helixtrans-56.6-44.2177.9170.7-99.7000111.3F191 L197 L201 L204 A252 V253 N258 D259 C260 I262 V265F191-F256 HydrophobicContact CB-CE1 4.16Å; F191-F256 HydrophobicContact CB-CZ 4.42Å; F191-F256 AromaticContact CD1-CE1 3.87Å; F191-F256 HydrophobicContact CD1-CE1 3.87Å; F191-F256 AromaticContact CD1-CZ 3.82Å; F191-F256 HydrophobicContact CD1-CZ 3.82Å; F191-F256 HydrophobicContact CD2-CZ 4.13Å; F191-F256 HydrophobicContact CE1-CE1 4.47Å; F191-F256 HydrophobicContact CE1-CZ 4.07Å; F191-F256 HydrophobicContact CE2-CZ 4.36Å; F191-F256 AromaticContact CG-CE1 3.99Å; F191-F256 HydrophobicContact CG-CE1 3.99Å; F191-F256 AromaticContact CG-CZ 3.85Å; F191-F256 HydrophobicContact CG-CZ 3.85Å; F191-F256 HydrophobicContact CZ-CZ 4.33Å; L197-F256 HydrophobicContact CD1-CB 4.07Å; L197-F256 HydrophobicContact CD1-CD1 4.12Å; L197-F256 HydrophobicContact CD1-CG 4.18Å; L197-F256 HydrophobicContact CD2-CD1 3.49Å; L197-F256 VanDerWaalsContact CD2-CD1 3.49Å; L197-F256 HydrophobicContact CD2-CD2 4.29Å; L197-F256 HydrophobicContact CD2-CE1 3.53Å; L197-F256 HydrophobicContact CD2-CE2 4.32Å; L197-F256 HydrophobicContact CD2-CG 3.88Å; L197-F256 HydrophobicContact CD2-CZ 3.96Å; L197-F256 HydrophobicContact CG-CD1 4.46Å; L201-F256 HydrophobicContact CD2-CE2 3.83Å; L201-F256 HydrophobicContact CD2-CZ 4.4Å; L201-F256 HydrophobicContact CG-CE2 4.12Å; L204-F256 HydrophobicContact CD2-CE2 4.36Å; L204-F256 HydrophobicContact CD2-CZ 4.05Å; A252-F256 WeakPolarHBondContact O-CB 3.43Å; A252-F256 PolarHBondContact O-N 2.78Å; V253-F256 PolarHBondContact O-N 3.1Å; F256-N258 PolarHBondContact O-N 3.08Å; F256-D259 PolarHBondContact O-N 3Å; F256-C260 HydrophobicContact CE2-CB 4.19Å; F256-C260 VanDerWaalsContact CE2-SG 3.6Å; F256-C260 HydrophobicContact CZ-CB 4.28Å; F256-C260 VanDerWaalsContact O-CB 3.29Å; F256-C260 WeakPolarHBondContact O-CB 3.08Å; F256-C260 PolarHBondContact O-N 2.95Å; F256-I262 HydrophobicContact CE1-CB 4.45Å; F256-I262 HydrophobicContact CE1-CG1 4.01Å; F256-I262 HydrophobicContact CZ-CG1 4.43Å; F256-V265 HydrophobicContact CD1-CG2 4.32Å; F256-V265 HydrophobicContact CE1-CG2 4.23Å
257M98.4Very high98.2Very high17 Ų1741.8 Ų41.88%0.08421%0.206CC..Hα-helixtrans-62-42.3179.5-72.6178.276.800113V253 I254 R255 N261 I262 K263 V265 K283V253-M257 HydrophobicContact CG1-CG 4.24Å; V253-M257 HydrophobicContact CG1-SD 3.64Å; V253-M257 WeakPolarHBondContact O-CB 3.07Å; V253-M257 VanDerWaalsContact O-CG 3.27Å; V253-M257 WeakPolarHBondContact O-CG 3.44Å; V253-M257 PolarHBondContact O-N 2.79Å; I254-M257 PolarHBondContact O-N 3.38Å; R255-M257 VanDerWaalsContact C-N 3.27Å; R255-M257 PolarHBondContact O-N 3.12Å; M257-N261 CarbonylContact O-C 3.59Å; M257-N261 VanDerWaalsContact O-CA 3.27Å; M257-N261 WeakPolarHBondContact O-CA 3.44Å; M257-N261 PolarHBondContact O-N 3.01Å; M257-I262 HydrophobicContact CB-CB 4.47Å; M257-I262 WeakPolarHBondContact CB-O 3.42Å; M257-I262 WeakPolarHBondContact CE-O 3.4Å; M257-I262 HydrophobicContact CG-CB 4.22Å; M257-I262 HydrophobicContact CG-CG2 4.23Å; M257-I262 PolarHBondContact O-N 3.4Å; M257-K263 WeakPolarHBondContact CE-O 3.31Å; M257-V265 HydrophobicContact CG-CG2 4.48Å; M257-K283 HydrophobicContact CE-CB 4.11Å; M257-K283 HydrophobicContact CE-CD 4.47Å; M257-K283 HydrophobicContact CE-CG 4.11Å; M257-K283 HydrophobicContact SD-CB 3.68Å; M257-K283 HydrophobicContact SD-CD 4.04Å; M257-K283 HydrophobicContact SD-CG 4.03Å
258N97.8Very high98.2Very high122 Ų12241.3 Ų41.365%0.65220%0.203SC*.Hα-helixtrans-67.8-47175.4-70.1-29.5000111.8I254 R255 F256 C260I254-N258 WeakPolarHBondContact O-CB 3.09Å; I254-N258 VanDerWaalsContact O-CG 3.27Å; I254-N258 PolarHBondContact O-N 3.16Å; I254-N258 PolarHBondContact O-ND2 2.77Å; R255-N258 PolarHBondContact O-N 2.87Å; F256-N258 PolarHBondContact O-N 3.08Å; N258-C260 VanDerWaalsContact C-N 3.31Å; N258-C260 PolarHBondContact O-N 3.36Å
259D97.4Very high98.2Very high88 Ų8841.9 Ų41.947%0.47121%0.206SC..Hα-helixtrans-65.9-33.9-176.5-71.2-13000111.7R255 F256R255-D259 WeakPolarHBondContact CG-OD2 3.49Å; R255-D259 IonicContact NE-OD2 3.73Å; R255-D259 PolarHBondContact NE-OD2 3.05Å; R255-D259 WeakPolarHBondContact O-CB 3.38Å; R255-D259 VanDerWaalsContact O-CG 3.29Å; R255-D259 PolarHBondContact O-N 3.08Å; F256-D259 PolarHBondContact O-N 3Å
260C97.7Very high98.2Very high16 Ų1644 Ų4411%0.10822%0.216CC..Hα-helixtrans-106.34.7-177.2-65.70000114.6L204 F256 N258 I262L204-C260 HydrophobicContact CD1-CB 4.48Å; L204-C260 HydrophobicContact CD2-CB 4.15Å; L204-C260 HydrophobicContact CG-CB 3.97Å; F256-C260 HydrophobicContact CE2-CB 4.19Å; F256-C260 VanDerWaalsContact CE2-SG 3.6Å; F256-C260 HydrophobicContact CZ-CB 4.28Å; F256-C260 VanDerWaalsContact O-CB 3.29Å; F256-C260 WeakPolarHBondContact O-CB 3.08Å; F256-C260 PolarHBondContact O-N 2.95Å; N258-C260 VanDerWaalsContact C-N 3.31Å; N258-C260 PolarHBondContact O-N 3.36Å; C260-I262 VanDerWaalsContact C-N 3.35Å; C260-I262 HydrophobicContact CB-CG1 3.91Å; C260-I262 PolarHBondContact O-N 3.45Å
261N97.4Very high98.1Very high125 Ų12542.7 Ų42.767%0.66821%0.213SC*.THydrogen-bonded Turntrans5346.7-176.8-173.454.8000113.6M257M257-N261 CarbonylContact O-C 3.59Å; M257-N261 VanDerWaalsContact O-CA 3.27Å; M257-N261 WeakPolarHBondContact O-CA 3.44Å; M257-N261 PolarHBondContact O-N 3.01Å
262I98.3Very high98.1Very high10 Ų1039.7 Ų39.75%0.05120%0.198CC..  trans-100.7141.3178.5-61.1-57.5000110L185 S189 F191 L204 F256 M257 C260 L264 V265L185-I262 HydrophobicContact CD1-CD1 3.44Å; L185-I262 VanDerWaalsContact CD1-CD1 3.44Å; S189-I262 CarbonylContact O-C 3.55Å; S189-I262 WeakPolarHBondContact O-CG2 3.47Å; F191-I262 HydrophobicContact CB-CD1 3.91Å; F191-I262 HydrophobicContact CB-CG1 4.02Å; F191-I262 HydrophobicContact CB-CG2 3.88Å; L204-I262 HydrophobicContact CD1-CD1 4.14Å; F256-I262 HydrophobicContact CE1-CB 4.45Å; F256-I262 HydrophobicContact CE1-CG1 4.01Å; F256-I262 HydrophobicContact CZ-CG1 4.43Å; M257-I262 HydrophobicContact CB-CB 4.47Å; M257-I262 WeakPolarHBondContact CB-O 3.42Å; M257-I262 WeakPolarHBondContact CE-O 3.4Å; M257-I262 HydrophobicContact CG-CB 4.22Å; M257-I262 HydrophobicContact CG-CG2 4.23Å; M257-I262 PolarHBondContact O-N 3.4Å; C260-I262 VanDerWaalsContact C-N 3.35Å; C260-I262 HydrophobicContact CB-CG1 3.91Å; C260-I262 PolarHBondContact O-N 3.45Å; I262-L264 WeakPolarHBondContact CG2-O 3.25Å; I262-V265 HydrophobicContact CG2-CG2 4.16Å
263K97.5Very high98Very high89 Ų8944.7 Ų44.739%0.38722%0.22SC..SBendtrans-106.1-22.2178.2-66.2178.1178.91720113.6S189 M257 V359 N360S189-K263 PolarHBondContact O-N 2.96Å; M257-K263 WeakPolarHBondContact CE-O 3.31Å; K263-V359 HydrophobicContact CB-CG1 3.87Å; K263-V359 HydrophobicContact CD-CG1 3.4Å; K263-V359 VanDerWaalsContact CD-CG1 3.4Å; K263-V359 HydrophobicContact CG-CG1 4.32Å; K263-V359 PolarHBondContact NZ-O 3.47Å; K263-N360 PolarHBondContact NZ-OD1 3.15Å; K263-N360 VanDerWaalsContact NZ-OD1 3.12Å
264L98.3Very high97.9Very high19 Ų1949.3 Ų49.310%0.09925%0.245CC..EExtended strand (participates in β ladder)trans-150.5137.9178.2-172.964.5000110.1S189 M190 F191 I262 V266 K282 V285 M304S189-L264 PolarHBondContact O-N 3.42Å; M190-L264 CarbonylContact C-O 3.47Å; M190-L264 VanDerWaalsContact CA-O 3.26Å; M190-L264 WeakPolarHBondContact CA-O 2.9Å; M190-L264 HydrophobicContact CB-CB 4.38Å; M190-L264 HydrophobicContact CE-CD2 4.13Å; M190-L264 HydrophobicContact CG-CB 4.11Å; M190-L264 HydrophobicContact CG-CD2 4.2Å; M190-L264 HydrophobicContact CG-CG 4.35Å; M190-L264 HydrophobicContact SD-CD2 4.13Å; F191-L264 PolarHBondContact N-O 3Å; I262-L264 WeakPolarHBondContact CG2-O 3.25Å; L264-V266 HydrophobicContact CD2-CG2 3.95Å; L264-V266 HydrophobicContact CG-CG2 4.09Å; L264-K282 WeakPolarHBondContact CD1-O 3.42Å; L264-V285 HydrophobicContact CD1-CG2 3.82Å; L264-V285 HydrophobicContact CD2-CG2 4.43Å; L264-V285 HydrophobicContact CG-CG2 4.44Å; L264-M304 HydrophobicContact CD2-CE 3.93Å
265V98.8Very high97.9Very high0 Ų046.3 Ų46.30%023%0.229CC..EExtended strand (participates in β ladder)trans-106129.5167.6178.10000108.5F191 L197 F256 M257 I262 K283 V284 V285F191-V265 HydrophobicContact CD1-CG1 4.39Å; F191-V265 CarbonylContact O-C 3.32Å; F191-V265 VanDerWaalsContact O-CA 3.3Å; F191-V265 WeakPolarHBondContact O-CA 3.27Å; L197-V265 HydrophobicContact CD2-CG1 4.28Å; L197-V265 HydrophobicContact CD2-CG2 4.3Å; F256-V265 HydrophobicContact CD1-CG2 4.32Å; F256-V265 HydrophobicContact CE1-CG2 4.23Å; M257-V265 HydrophobicContact CG-CG2 4.48Å; I262-V265 HydrophobicContact CG2-CG2 4.16Å; V265-K283 PolarHBondContact N-O 3.36Å; V265-V284 HydrophobicContact CB-CB 4.48Å; V265-V284 HydrophobicContact CB-CG1 4.3Å; V265-V284 HydrophobicContact CB-CG2 4.13Å; V265-V284 HydrophobicContact CG1-CG1 4.24Å; V265-V284 CarbonylContact O-C 3.58Å; V265-V284 VanDerWaalsContact O-CA 3.28Å; V265-V284 WeakPolarHBondContact O-CA 3.43Å; V265-V285 PolarHBondContact O-N 2.56Å
266V98.9Very high97.9Very high0 Ų041.1 Ų41.10%021%0.21CC..EExtended strand (participates in β ladder)trans-117.5128.4174.4-172.60000109I82 L111 M190 F191 C192 A193 L264 V285 V287 M304I82-V266 HydrophobicContact CD1-CB 4.4Å; I82-V266 HydrophobicContact CD1-CG1 4.11Å; I82-V266 HydrophobicContact CD1-CG2 4.35Å; I82-V266 HydrophobicContact CG2-CG1 4.13Å; L111-V266 HydrophobicContact CD1-CG1 4.24Å; M190-V266 HydrophobicContact CG-CG2 3.78Å; M190-V266 HydrophobicContact SD-CG2 3.63Å; F191-V266 PolarHBondContact O-N 2.86Å; C192-V266 VanDerWaalsContact CA-O 3.23Å; C192-V266 WeakPolarHBondContact CA-O 3.25Å; A193-V266 PolarHBondContact N-O 3.12Å; L264-V266 HydrophobicContact CD2-CG2 3.95Å; L264-V266 HydrophobicContact CG-CG2 4.09Å; V266-V285 CarbonylContact C-O 3.57Å; V266-V285 WeakPolarHBondContact CA-O 3.26Å; V266-V287 HydrophobicContact CG1-CG2 4.01Å; V266-M304 HydrophobicContact CG1-SD 3.97Å; V266-M304 HydrophobicContact CG2-CE 4.2Å; V266-M304 HydrophobicContact CG2-SD 4.03Å
267R98.8Very high97.9Very high0 Ų045.6 Ų45.60%023%0.231CC..EExtended strand (participates in β ladder)trans-142.4172.4-174.171.5110.21.3161.28.3112.1A193 H194 G195 S228 D229 H269 V284 V285 T286 V287A193-R267 WeakPolarHBondContact O-CA 3.3Å; A193-R267 WeakPolarHBondContact O-CB 3.15Å; H194-R267 PolarHBondContact O-NE 3.34Å; H194-R267 PolarHBondContact O-NH2 3.3Å; G195-R267 PolarHBondContact O-NE 2.93Å; G195-R267 VanDerWaalsContact O-NE 3.09Å; G195-R267 PolarHBondContact O-NH2 3.39Å; S228-R267 PolarHBondContact O-NH1 2.88Å; S228-R267 PolarHBondContact O-NH2 3.18Å; D229-R267 IonicContact OD1-CZ 2.86Å; D229-R267 IonicContact OD1-NH1 3.2Å; D229-R267 PolarHBondContact OD1-NH1 3.38Å; D229-R267 IonicContact OD1-NH2 2.85Å; R267-H269 PolarHBondContact NH2-CD2 3.21Å; R267-H269 VanDerWaalsContact NH2-CD2 3.34Å; R267-V284 HydrophobicContact CG-CG1 3.99Å; R267-V285 PolarHBondContact N-O 3.22Å; R267-T286 WeakPolarHBondContact CD-OG1 3.31Å; R267-T286 CarbonylContact O-C 3.52Å; R267-T286 WeakPolarHBondContact O-CA 3.4Å; R267-V287 PolarHBondContact O-N 3.38Å
268A98.8Very high97.9Very high0 Ų048 Ų480%024%0.241CC..  trans-129.8-132.5-177.100000111.6D85 L111 H194 Q270 V287D85-A268 WeakPolarHBondContact OD2-CB 3.28Å; L111-A268 HydrophobicContact CB-CB 3.91Å; L111-A268 HydrophobicContact CD1-CB 3.88Å; H194-A268 CarbonylContact O-C 3.48Å; H194-A268 PolarHBondContact O-N 2.72Å; A268-Q270 PolarHBondContact O-N 3.41Å; A268-V287 VanDerWaalsContact CA-O 3.31Å; A268-V287 WeakPolarHBondContact CA-O 3.24Å; A268-V287 WeakPolarHBondContact CB-O 3.28Å
269H98.5Very high98Very high12 Ų1243.9 Ų43.96%0.05622%0.218CC..SBendtrans66.5-24.9165.6-168.456000118.4D85 D113 N145 H194 W227 D229 R242 R267D85-H269 VanDerWaalsContact OD1-CA 3.26Å; D85-H269 WeakPolarHBondContact OD1-CA 3.11Å; D85-H269 PolarHBondContact OD1-N 3.49Å; D85-H269 PolarHBondContact OD2-N 3.48Å; D113-H269 IonicContact OD2-ND1 2.83Å; N145-H269 VanDerWaalsContact CG-CE1 3.47Å; N145-H269 PolarHBondContact OD1-CE1 3.17Å; N145-H269 PolarHBondContact OD1-ND1 2.69Å; H194-H269 AromaticContact CD2-ND1 3.85Å; H194-H269 AromaticContact NE2-CG 3.82Å; H194-H269 AromaticContact NE2-ND1 3.39Å; H194-H269 PolarHBondContact NE2-ND1 3.48Å; W227-H269 AromaticContact CE3-CE1 3.9Å; W227-H269 AromaticContact CE3-NE2 3.95Å; D229-H269 IonicContact OD1-CD2 3.29Å; D229-H269 PolarHBondContact OD1-CD2 3.01Å; R242-H269 VanDerWaalsContact CZ-CD2 3.49Å; R242-H269 PolarHBondContact NE-NE2 2.86Å; R242-H269 VanDerWaalsContact NE-NE2 3.16Å; R242-H269 PolarHBondContact NH2-CD2 2.82Å; R242-H269 PolarHBondContact NH2-NE2 2.53Å; R242-H269 PolarHBondContact NH2-O 2.97Å; R267-H269 PolarHBondContact NH2-CD2 3.21Å; R267-H269 VanDerWaalsContact NH2-CD2 3.34Å
270Q97.9Very high98Very high46 Ų4640 Ų4022%0.21520%0.198CC..SBendtrans-103.7125174.7-74.7176-61.200109.2D229 A268 V272 T286 F288D229-Q270 VanDerWaalsContact OD1-CD 3.29Å; D229-Q270 WeakPolarHBondContact OD1-CG 3.33Å; A268-Q270 PolarHBondContact O-N 3.41Å; Q270-V272 PolarHBondContact O-N 2.73Å; Q270-T286 HydrophobicContact CB-CG2 4.14Å; Q270-F288 VanDerWaalsContact O-CD2 3.27Å; Q270-F288 WeakPolarHBondContact O-CD2 3.37Å
271V97.1Very high97.9Very high54 Ų5445.2 Ų45.233%0.32722%0.224SC..  trans-64.6125.6168.2-170.20000107.6F288 Y293 F297 N299V271-F288 HydrophobicContact CB-CE1 4.44Å; V271-F288 HydrophobicContact CB-CE2 4.38Å; V271-F288 HydrophobicContact CB-CZ 4.32Å; V271-F288 HydrophobicContact CG1-CD1 4.33Å; V271-F288 HydrophobicContact CG1-CE1 4.15Å; V271-F288 HydrophobicContact CG1-CZ 4.48Å; V271-F288 HydrophobicContact CG2-CD2 4.45Å; V271-F288 HydrophobicContact CG2-CE1 4.08Å; V271-F288 HydrophobicContact CG2-CE2 3.77Å; V271-F288 HydrophobicContact CG2-CZ 3.59Å; V271-Y293 HydrophobicContact CG1-CD1 4.47Å; V271-Y293 HydrophobicContact CG2-CD1 3.55Å; V271-Y293 HydrophobicContact CG2-CE1 3.75Å; V271-Y293 HydrophobicContact CG2-CG 4.38Å; V271-F297 HydrophobicContact CG1-CD1 4.06Å; V271-F297 HydrophobicContact CG1-CE1 4.35Å; V271-N299 HydrophobicContact CG1-CB 4.19Å
272V97.4Very high97.9Very high10 Ų1045 Ų456%0.06122%0.217CC..  trans-128.9144.4178.6-69.20000108.9Q270 D274 G275 E277 T286 F288Q270-V272 PolarHBondContact O-N 2.73Å; V272-D274 PolarHBondContact O-N 3.37Å; V272-G275 VanDerWaalsContact CG2-C 3.48Å; V272-G275 PolarHBondContact O-N 3.39Å; V272-G275 VanDerWaalsContact O-N 3.11Å; V272-E277 HydrophobicContact CB-CB 4Å; V272-E277 HydrophobicContact CG1-CB 3.65Å; V272-E277 HydrophobicContact CG2-CB 4.41Å; V272-T286 HydrophobicContact CG1-CG2 3.96Å; V272-T286 HydrophobicContact CG2-CG2 4.35Å; V272-F288 HydrophobicContact CG2-CB 4Å
273E96.4Very high97.9Very high110 Ų11046.8 Ų46.851%0.51423%0.225SC..THydrogen-bonded Turntrans-58.4-49.2-165.4-174.160-159.800113G275 N299 A300E273-G275 VanDerWaalsContact C-N 3.26Å; E273-G275 PolarHBondContact O-N 2.87Å; E273-N299 CarbonylContact O-C 3.26Å; E273-N299 WeakPolarHBondContact O-CA 3.27Å; E273-A300 PolarHBondContact O-N 3.21Å
274D96.8Very high97.9Very high98 Ų9842.5 Ų42.552%0.52421%0.206SC..THydrogen-bonded Turntrans-88.18.1-177.6-64.9-48.7000113.1V272 Y276V272-D274 PolarHBondContact O-N 3.37Å; D274-Y276 HydrophobicContact CB-CD1 4.43Å; D274-Y276 HydrophobicContact CB-CE1 4.32Å; D274-Y276 PolarHBondContact O-N 2.92Å
275G97.9Very high97.9Very high0 Ų041.7 Ų41.70%020%0.202CC..SBendtrans76.3-5.7-173.200000114.1V272 E273 F288 A300V272-G275 VanDerWaalsContact CG2-C 3.48Å; V272-G275 PolarHBondContact O-N 3.39Å; V272-G275 VanDerWaalsContact O-N 3.11Å; E273-G275 VanDerWaalsContact C-N 3.26Å; E273-G275 PolarHBondContact O-N 2.87Å; G275-F288 WeakPolarHBondContact CA-O 3.38Å; G275-F288 PolarHBondContact O-N 3.36Å; G275-A300 VanDerWaalsContact CA-O 3.25Å; G275-A300 WeakPolarHBondContact CA-O 3.48Å; G275-A300 PolarHBondContact N-O 3.22Å
276Y98.5Very high97.9Very high37 Ų3741.8 Ų41.815%0.14520%0.202CC..EExtended strand (participates in β ladder)trans-144.2155.1168.371.7-84.2000111.6D274 F278 T286 A302 F314 I316 E353D274-Y276 HydrophobicContact CB-CD1 4.43Å; D274-Y276 HydrophobicContact CB-CE1 4.32Å; D274-Y276 PolarHBondContact O-N 2.92Å; Y276-F278 HydrophobicContact CD2-CE2 4.17Å; Y276-F278 HydrophobicContact CE2-CD2 4.44Å; Y276-F278 AromaticContact CE2-CE2 3.85Å; Y276-F278 HydrophobicContact CE2-CE2 3.85Å; Y276-T286 CarbonylContact C-O 3.54Å; Y276-T286 WeakPolarHBondContact CA-O 3.2Å; Y276-T286 WeakPolarHBondContact CB-O 3.36Å; Y276-A302 HydrophobicContact CD1-CB 4.32Å; Y276-F314 HydrophobicContact CD1-CB 4.2Å; Y276-F314 AromaticContact CD1-CD1 3.99Å; Y276-F314 HydrophobicContact CD1-CD1 3.99Å; Y276-F314 HydrophobicContact CD1-CD2 4.16Å; Y276-F314 HydrophobicContact CD1-CE1 4.41Å; Y276-F314 AromaticContact CD1-CG 3.85Å; Y276-F314 HydrophobicContact CD1-CG 3.85Å; Y276-F314 HydrophobicContact CD2-CD1 4.37Å; Y276-F314 HydrophobicContact CD2-CD2 4.03Å; Y276-F314 HydrophobicContact CD2-CE1 4.04Å; Y276-F314 AromaticContact CD2-CE2 3.67Å; Y276-F314 HydrophobicContact CD2-CE2 3.67Å; Y276-F314 HydrophobicContact CD2-CG 4.37Å; Y276-F314 AromaticContact CD2-CZ 3.67Å; Y276-F314 HydrophobicContact CD2-CZ 3.67Å; Y276-F314 HydrophobicContact CE1-CB 4.26Å; Y276-F314 HydrophobicContact CE1-CD2 4.12Å; Y276-F314 HydrophobicContact CE1-CG 4.11Å; Y276-F314 AromaticContact CE2-CD2 3.99Å; Y276-F314 HydrophobicContact CE2-CD2 3.99Å; Y276-F314 AromaticContact CE2-CE2 3.82Å; Y276-F314 HydrophobicContact CE2-CE2 3.82Å; Y276-F314 HydrophobicContact CE2-CZ 4.3Å; Y276-F314 AromaticContact CG-CD1 3.79Å; Y276-F314 HydrophobicContact CG-CD1 3.79Å; Y276-F314 HydrophobicContact CG-CD2 4.11Å; Y276-F314 AromaticContact CG-CE1 3.75Å; Y276-F314 HydrophobicContact CG-CE1 3.75Å; Y276-F314 HydrophobicContact CG-CE2 4.07Å; Y276-F314 AromaticContact CG-CG 3.98Å; Y276-F314 HydrophobicContact CG-CG 3.98Å; Y276-F314 AromaticContact CG-CZ 3.9Å; Y276-F314 HydrophobicContact CG-CZ 3.9Å; Y276-I316 HydrophobicContact CE1-CD1 4.14Å; Y276-E353 PolarHBondContact OH-OE2 2.95Å
277E98.3Very high97.9Very high105 Ų10541.8 Ų41.849%0.49120%0.202SC..EExtended strand (participates in β ladder)trans-149.5145175.6-172174.1-125.800111.2V272 V285 T286V272-E277 HydrophobicContact CB-CB 4Å; V272-E277 HydrophobicContact CG1-CB 3.65Å; V272-E277 HydrophobicContact CG2-CB 4.41Å; E277-V285 WeakPolarHBondContact O-CA 3.47Å; E277-T286 PolarHBondContact N-O 3.02Å; E277-T286 PolarHBondContact O-N 2.88Å
278F98.3Very high97.9Very high68 Ų6841.8 Ų41.830%0.29820%0.203SC..EExtended strand (participates in β ladder)trans-99.5140.7175.1-69.2-72000111.7Y276 K282 V284 V285 F314 I355Y276-F278 HydrophobicContact CD2-CE2 4.17Å; Y276-F278 HydrophobicContact CE2-CD2 4.44Å; Y276-F278 AromaticContact CE2-CE2 3.85Å; Y276-F278 HydrophobicContact CE2-CE2 3.85Å; F278-K282 HydrophobicContact CB-CG 4.07Å; F278-K282 HydrophobicContact CD1-CB 3.85Å; F278-K282 HydrophobicContact CD1-CG 3.93Å; F278-K282 HydrophobicContact CD2-CG 4.45Å; F278-K282 HydrophobicContact CE1-CB 4.37Å; F278-K282 HydrophobicContact CG-CB 4.31Å; F278-K282 HydrophobicContact CG-CG 3.9Å; F278-V284 WeakPolarHBondContact CA-O 3.33Å; F278-V285 HydrophobicContact CD1-CG2 3.76Å; F278-V285 HydrophobicContact CE1-CG1 4.44Å; F278-V285 HydrophobicContact CE1-CG2 3.57Å; F278-F314 HydrophobicContact CZ-CE2 4.04Å; F278-F314 HydrophobicContact CZ-CZ 4.24Å; F278-I355 HydrophobicContact CE2-CD1 3.75Å; F278-I355 HydrophobicContact CZ-CD1 3.54Å
279F98.1Very high97.9Very high35 Ų3541.8 Ų41.815%0.15420%0.203CC..EExtended strand (participates in β ladder)trans-131.6160173.2174.8-99.6000111.4P230 F248 E250 V253 D281 K282 K283 V284P230-F279 HydrophobicContact CB-CB 4.32Å; P230-F279 HydrophobicContact CB-CD1 3.51Å; P230-F279 HydrophobicContact CB-CD2 3.97Å; P230-F279 HydrophobicContact CB-CE1 3.69Å; P230-F279 HydrophobicContact CB-CE2 4.14Å; P230-F279 HydrophobicContact CB-CG 3.66Å; P230-F279 HydrophobicContact CB-CZ 4Å; P230-F279 HydrophobicContact CG-CG 4.49Å; F248-F279 HydrophobicContact CD2-CE1 4.46Å; F248-F279 HydrophobicContact CE2-CE1 4.42Å; E250-F279 HydrophobicContact CB-CZ 4.43Å; V253-F279 HydrophobicContact CG2-CD1 4.35Å; V253-F279 HydrophobicContact CG2-CE1 3.93Å; F279-D281 PolarHBondContact O-N 3.05Å; F279-K282 PolarHBondContact O-N 2.71Å; F279-K283 PolarHBondContact O-N 2.88Å; F279-K283 VanDerWaalsContact O-N 3.14Å; F279-V284 HydrophobicContact CB-CB 4.1Å; F279-V284 HydrophobicContact CD1-CB 4.15Å; F279-V284 HydrophobicContact CD1-CG2 3.94Å; F279-V284 PolarHBondContact N-O 3.38Å; F279-V284 PolarHBondContact O-N 2.9Å; F279-V284 VanDerWaalsContact O-N 3.11Å
280A97.3Very high97.9Very high6 Ų641.2 Ų41.25%0.0520%0.2CC..THydrogen-bonded Turntrans52.451.9177.100000113.3E250 V253 K282 K283 V284E250-A280 HydrophobicContact CB-CB 3.97Å; E250-A280 HydrophobicContact CG-CB 3.73Å; V253-A280 HydrophobicContact CB-CB 4.39Å; V253-A280 HydrophobicContact CG1-CB 4.33Å; V253-A280 HydrophobicContact CG2-CB 4.45Å; A280-K282 PolarHBondContact O-N 2.64Å; A280-K283 HydrophobicContact CB-CB 4.27Å; A280-K283 VanDerWaalsContact O-CB 3.27Å; A280-K283 WeakPolarHBondContact O-CB 3.31Å; A280-K283 WeakPolarHBondContact O-CD 2.78Å; A280-K283 VanDerWaalsContact O-CG 3.26Å; A280-K283 WeakPolarHBondContact O-CG 3.26Å; A280-K283 PolarHBondContact O-N 2.74Å; A280-K283 PolarHBondContact O-NZ 3.09Å; A280-V284 HydrophobicContact CB-CG2 4.49Å
281D96.1Very high97.7Very high126 Ų12639.3 Ų39.367%0.67419%0.192SC*.THydrogen-bonded Turntrans51.957.2-176.7171.754000111F279 K283F279-D281 PolarHBondContact O-N 3.05Å; D281-K283 VanDerWaalsContact CB-NZ 3.34Å; D281-K283 PolarHBondContact O-N 2.77Å; D281-K283 VanDerWaalsContact O-N 3.1Å; D281-K283 PolarHBondContact O-NZ 2.93Å; D281-K283 IonicContact OD2-NZ 3.5Å; D281-K283 PolarHBondContact OD2-NZ 3.23Å
282K97.1Very high97.5Very high120 Ų12038.9 Ų38.952%0.52219%0.188SC..THydrogen-bonded Turntrans59.616.7178-53.4-176.3178.6-1760116L264 F278 F279 A280L264-K282 WeakPolarHBondContact CD1-O 3.42Å; F278-K282 HydrophobicContact CB-CG 4.07Å; F278-K282 HydrophobicContact CD1-CB 3.85Å; F278-K282 HydrophobicContact CD1-CG 3.93Å; F278-K282 HydrophobicContact CD2-CG 4.45Å; F278-K282 HydrophobicContact CE1-CB 4.37Å; F278-K282 HydrophobicContact CG-CB 4.31Å; F278-K282 HydrophobicContact CG-CG 3.9Å; F279-K282 PolarHBondContact O-N 2.71Å; A280-K282 PolarHBondContact O-N 2.64Å
283K98.1Very high97.2Very high47 Ų4739.1 Ų39.120%0.20419%0.188CC..THydrogen-bonded Turntrans-79.6-20.9175.9-70.1170.5-159.466.10113.1V253 I254 M257 V265 F279 A280 D281V253-K283 HydrophobicContact CG1-CB 4.22Å; I254-K283 HydrophobicContact CG1-CD 4.21Å; M257-K283 HydrophobicContact CE-CB 4.11Å; M257-K283 HydrophobicContact CE-CD 4.47Å; M257-K283 HydrophobicContact CE-CG 4.11Å; M257-K283 HydrophobicContact SD-CB 3.68Å; M257-K283 HydrophobicContact SD-CD 4.04Å; M257-K283 HydrophobicContact SD-CG 4.03Å; V265-K283 PolarHBondContact N-O 3.36Å; F279-K283 PolarHBondContact O-N 2.88Å; F279-K283 VanDerWaalsContact O-N 3.14Å; A280-K283 HydrophobicContact CB-CB 4.27Å; A280-K283 VanDerWaalsContact O-CB 3.27Å; A280-K283 WeakPolarHBondContact O-CB 3.31Å; A280-K283 WeakPolarHBondContact O-CD 2.78Å; A280-K283 VanDerWaalsContact O-CG 3.26Å; A280-K283 WeakPolarHBondContact O-CG 3.26Å; A280-K283 PolarHBondContact O-N 2.74Å; A280-K283 PolarHBondContact O-NZ 3.09Å; D281-K283 VanDerWaalsContact CB-NZ 3.34Å; D281-K283 PolarHBondContact O-N 2.77Å; D281-K283 VanDerWaalsContact O-N 3.1Å; D281-K283 PolarHBondContact O-NZ 2.93Å; D281-K283 IonicContact OD2-NZ 3.5Å; D281-K283 PolarHBondContact OD2-NZ 3.23Å
284V98.7Very high96.5Very high0 Ų036.3 Ų36.30%018%0.179CC..EExtended strand (participates in β ladder)trans-121.6136.8173-173.20000109.2V253 V265 R267 F278 F279 A280V253-V284 HydrophobicContact CB-CG2 4.33Å; V253-V284 HydrophobicContact CG1-CG2 3.56Å; V253-V284 HydrophobicContact CG2-CG2 3.77Å; V265-V284 HydrophobicContact CB-CB 4.48Å; V265-V284 HydrophobicContact CB-CG1 4.3Å; V265-V284 HydrophobicContact CB-CG2 4.13Å; V265-V284 HydrophobicContact CG1-CG1 4.24Å; V265-V284 CarbonylContact O-C 3.58Å; V265-V284 VanDerWaalsContact O-CA 3.28Å; V265-V284 WeakPolarHBondContact O-CA 3.43Å; R267-V284 HydrophobicContact CG-CG1 3.99Å; F278-V284 WeakPolarHBondContact CA-O 3.33Å; F279-V284 HydrophobicContact CB-CB 4.1Å; F279-V284 HydrophobicContact CD1-CB 4.15Å; F279-V284 HydrophobicContact CD1-CG2 3.94Å; F279-V284 PolarHBondContact N-O 3.38Å; F279-V284 PolarHBondContact O-N 2.9Å; F279-V284 VanDerWaalsContact O-N 3.11Å; A280-V284 HydrophobicContact CB-CG2 4.49Å
285V98.7Very high95.7Very high2 Ų234.2 Ų34.21%0.01218%0.181CC..EExtended strand (participates in β ladder)trans-120121.4173.2-173.60000108.5L264 V265 V266 R267 E277 F278 V287 M304 F314L264-V285 HydrophobicContact CD1-CG2 3.82Å; L264-V285 HydrophobicContact CD2-CG2 4.43Å; L264-V285 HydrophobicContact CG-CG2 4.44Å; V265-V285 PolarHBondContact O-N 2.56Å; V266-V285 CarbonylContact C-O 3.57Å; V266-V285 WeakPolarHBondContact CA-O 3.26Å; R267-V285 PolarHBondContact N-O 3.22Å; E277-V285 WeakPolarHBondContact O-CA 3.47Å; F278-V285 HydrophobicContact CD1-CG2 3.76Å; F278-V285 HydrophobicContact CE1-CG1 4.44Å; F278-V285 HydrophobicContact CE1-CG2 3.57Å; V285-V287 HydrophobicContact CG1-CG2 4.01Å; V285-M304 HydrophobicContact CG1-SD 4.29Å; V285-F314 HydrophobicContact CG1-CE1 4.01Å; V285-F314 HydrophobicContact CG1-CZ 3.78Å
286T98.8Very high94.8Very high1 Ų142.1 Ų42.11%0.00622%0.218CC..EExtended strand (participates in β ladder)trans-88.9134.2166.3-57.80000108.6R267 Q270 V272 Y276 E277R267-T286 WeakPolarHBondContact CD-OG1 3.31Å; R267-T286 CarbonylContact O-C 3.52Å; R267-T286 WeakPolarHBondContact O-CA 3.4Å; Q270-T286 HydrophobicContact CB-CG2 4.14Å; V272-T286 HydrophobicContact CG1-CG2 3.96Å; V272-T286 HydrophobicContact CG2-CG2 4.35Å; Y276-T286 CarbonylContact C-O 3.54Å; Y276-T286 WeakPolarHBondContact CA-O 3.2Å; Y276-T286 WeakPolarHBondContact CB-O 3.36Å; E277-T286 PolarHBondContact N-O 3.02Å; E277-T286 PolarHBondContact O-N 2.88Å
287V98.8Very high94.2Very high0 Ų044.5 Ų44.50%023%0.23CC..EExtended strand (participates in β ladder)trans-126.4126.5175.8-176.80000108.8G84 V266 R267 A268 V285 A302 M304 F314G84-V287 WeakPolarHBondContact CA-O 3.39Å; V266-V287 HydrophobicContact CG1-CG2 4.01Å; R267-V287 PolarHBondContact O-N 3.38Å; A268-V287 VanDerWaalsContact CA-O 3.31Å; A268-V287 WeakPolarHBondContact CA-O 3.24Å; A268-V287 WeakPolarHBondContact CB-O 3.28Å; V285-V287 HydrophobicContact CG1-CG2 4.01Å; V287-A302 WeakPolarHBondContact CG1-O 3.46Å; V287-M304 HydrophobicContact CG2-CB 4.01Å; V287-M304 HydrophobicContact CG2-SD 4.42Å; V287-F314 HydrophobicContact CG2-CE1 4.34Å
288F98.7Very high93.8Very high1 Ų144.6 Ų44.60%0.00423%0.233CC..BIsolated β-bridgetrans-129.5117.2179-163.3-91.2000109.2D85 Q270 V271 V272 G275 A290 Y293 G301 A302D85-F288 HydrophobicContact CB-CD2 3.69Å; D85-F288 HydrophobicContact CB-CE2 3.4Å; D85-F288 HydrophobicContact CB-CG 4.42Å; D85-F288 HydrophobicContact CB-CZ 3.88Å; D85-F288 VanDerWaalsContact CG-CE2 3.41Å; D85-F288 WeakPolarHBondContact OD1-CE2 3.24Å; Q270-F288 VanDerWaalsContact O-CD2 3.27Å; Q270-F288 WeakPolarHBondContact O-CD2 3.37Å; V271-F288 HydrophobicContact CB-CE1 4.44Å; V271-F288 HydrophobicContact CB-CE2 4.38Å; V271-F288 HydrophobicContact CB-CZ 4.32Å; V271-F288 HydrophobicContact CG1-CD1 4.33Å; V271-F288 HydrophobicContact CG1-CE1 4.15Å; V271-F288 HydrophobicContact CG1-CZ 4.48Å; V271-F288 HydrophobicContact CG2-CD2 4.45Å; V271-F288 HydrophobicContact CG2-CE1 4.08Å; V271-F288 HydrophobicContact CG2-CE2 3.77Å; V271-F288 HydrophobicContact CG2-CZ 3.59Å; V272-F288 HydrophobicContact CG2-CB 4Å; G275-F288 WeakPolarHBondContact CA-O 3.38Å; G275-F288 PolarHBondContact O-N 3.36Å; F288-A290 HydrophobicContact CD1-CB 4.34Å; F288-A290 HydrophobicContact CE1-CB 3.7Å; F288-A290 WeakPolarHBondContact CE1-O 3.23Å; F288-A290 HydrophobicContact CZ-CB 4.32Å; F288-Y293 HydrophobicContact CE1-CD1 4.44Å; F288-Y293 HydrophobicContact CE1-CD2 4.02Å; F288-Y293 AromaticContact CE1-CG 3.91Å; F288-Y293 HydrophobicContact CE1-CG 3.91Å; F288-Y293 HydrophobicContact CZ-CD1 4.14Å; F288-Y293 AromaticContact CZ-CD2 3.86Å; F288-Y293 HydrophobicContact CZ-CD2 3.86Å; F288-Y293 HydrophobicContact CZ-CE1 4.3Å; F288-Y293 HydrophobicContact CZ-CE2 4.04Å; F288-Y293 AromaticContact CZ-CG 3.91Å; F288-Y293 HydrophobicContact CZ-CG 3.91Å; F288-G301 CarbonylContact O-C 3.52Å; F288-G301 WeakPolarHBondContact O-CA 3.3Å; F288-A302 PolarHBondContact O-N 3.13Å
289S98.7Very high93.7Very high0 Ų041.4 Ų41.40%022%0.22CC..  trans-98.4-13.9-166-62.50000114.4G84 D85 Y96 A291 A302G84-S289 PolarHBondContact N-OG 3.15Å; D85-S289 CarbonylContact O-C 3.51Å; D85-S289 WeakPolarHBondContact O-CA 3.24Å; D85-S289 WeakPolarHBondContact O-CB 3.37Å; D85-S289 PolarHBondContact O-N 3.02Å; D85-S289 VanDerWaalsContact O-N 3.12Å; Y96-S289 VanDerWaalsContact CE2-O 3.28Å; Y96-S289 WeakPolarHBondContact CE2-O 3.37Å; Y96-S289 PolarHBondContact OH-O 2.92Å; S289-A291 PolarHBondContact O-N 3.02Å; S289-A302 WeakPolarHBondContact CA-O 3.3Å; S289-A302 WeakPolarHBondContact CB-O 3.31Å; S289-A302 PolarHBondContact OG-O 3.2Å
290A97.2Very high93.6Very high0 Ų040.3 Ų40.30%022%0.217CC..  trans-81.2110.4176.800000111.4D85 Q89 F288 Y293 N299D85-A290 PolarHBondContact O-N 3.09Å; Q89-A290 HydrophobicContact CG-CB 4.48Å; F288-A290 HydrophobicContact CD1-CB 4.34Å; F288-A290 HydrophobicContact CE1-CB 3.7Å; F288-A290 WeakPolarHBondContact CE1-O 3.23Å; F288-A290 HydrophobicContact CZ-CB 4.32Å; A290-Y293 HydrophobicContact CB-CD2 4.04Å; A290-N299 PolarHBondContact O-ND2 3.47Å
291A94.4Very high93.6Very high5 Ų540 Ų404%0.04121%0.214CC..SBendtrans-84.814717800000110.7Q89 D92 S289 Y293 L317Q89-A291 PolarHBondContact NE2-O 3.19Å; D92-A291 PolarHBondContact OD2-N 2.67Å; D92-A291 VanDerWaalsContact OD2-N 3.12Å; S289-A291 PolarHBondContact O-N 3.02Å; A291-Y293 VanDerWaalsContact C-N 3.27Å; A291-Y293 PolarHBondContact O-N 2.99Å; A291-L317 HydrophobicContact CB-CB 4.35Å; A291-L317 HydrophobicContact CB-CD2 4.03Å; A291-L317 HydrophobicContact CB-CG 4.08Å; A291-L317 WeakPolarHBondContact CB-O 3.33Å
292N92.6Very high93.7Very high45 Ų4534 Ų3424%0.24118%0.182CC..SBendtrans47.754.8-173.7-178.710.7000110.2C294 G295 F297 N299 P319N292-C294 PolarHBondContact O-N 2.98Å; N292-G295 WeakPolarHBondContact O-CA 3.29Å; N292-G295 PolarHBondContact O-N 3.36Å; N292-G295 VanDerWaalsContact OD1-C 3.28Å; N292-G295 VanDerWaalsContact OD1-CA 3.25Å; N292-G295 WeakPolarHBondContact OD1-CA 3.45Å; N292-F297 VanDerWaalsContact CA-O 3.31Å; N292-F297 WeakPolarHBondContact CA-O 3.45Å; N292-F297 PolarHBondContact OD1-O 3.23Å; N292-N299 PolarHBondContact N-O 3.27Å; N292-P319 HydrophobicContact CB-CB 3.77Å
293Y91.2Very high93.8Very high16 Ų1628.3 Ų28.36%0.06316%0.157CC..G310 helixtrans-52.1134.8-168.7178.7-129.5000110.9H87 R117 V271 F288 A290 A291 G295 E296 F297 N299H87-Y293 HydrophobicContact CB-CE2 3.8Å; H87-Y293 AromaticContact CD2-CE2 3.28Å; H87-Y293 WeakPolarHBondContact CD2-CE2 3.18Å; H87-Y293 AromaticContact CD2-CZ 3.59Å; H87-Y293 PolarHBondContact CD2-OH 3.39Å; H87-Y293 VanDerWaalsContact CD2-OH 3.23Å; H87-Y293 AromaticContact CG-CE2 3.74Å; H87-Y293 AromaticContact NE2-CZ 3.89Å; H87-Y293 PolarHBondContact NE2-OH 2.86Å; H87-Y293 VanDerWaalsContact NE2-OH 3.08Å; R117-Y293 HydrophobicContact CB-CE2 4.41Å; R117-Y293 HydrophobicContact CG-CE2 4.46Å; R117-Y293 WeakPolarHBondContact CG-OH 3.39Å; V271-Y293 HydrophobicContact CG1-CD1 4.47Å; V271-Y293 HydrophobicContact CG2-CD1 3.55Å; V271-Y293 HydrophobicContact CG2-CE1 3.75Å; V271-Y293 HydrophobicContact CG2-CG 4.38Å; F288-Y293 HydrophobicContact CE1-CD1 4.44Å; F288-Y293 HydrophobicContact CE1-CD2 4.02Å; F288-Y293 AromaticContact CE1-CG 3.91Å; F288-Y293 HydrophobicContact CE1-CG 3.91Å; F288-Y293 HydrophobicContact CZ-CD1 4.14Å; F288-Y293 AromaticContact CZ-CD2 3.86Å; F288-Y293 HydrophobicContact CZ-CD2 3.86Å; F288-Y293 HydrophobicContact CZ-CE1 4.3Å; F288-Y293 HydrophobicContact CZ-CE2 4.04Å; F288-Y293 AromaticContact CZ-CG 3.91Å; F288-Y293 HydrophobicContact CZ-CG 3.91Å; A290-Y293 HydrophobicContact CB-CD2 4.04Å; A291-Y293 VanDerWaalsContact C-N 3.27Å; A291-Y293 PolarHBondContact O-N 2.99Å; Y293-G295 PolarHBondContact O-N 2.93Å; Y293-E296 PolarHBondContact O-N 3.46Å; Y293-F297 AromaticContact CD1-CD2 3.71Å; Y293-F297 HydrophobicContact CD1-CD2 3.71Å; Y293-F297 AromaticContact CD1-CE2 3.56Å; Y293-F297 HydrophobicContact CD1-CE2 3.56Å; Y293-F297 HydrophobicContact CD1-CG 4.26Å; Y293-F297 HydrophobicContact CD1-CZ 4.01Å; Y293-F297 HydrophobicContact CE1-CE2 4.13Å; Y293-F297 HydrophobicContact CE1-CZ 4.44Å; Y293-F297 HydrophobicContact CG-CD2 4.23Å; Y293-F297 HydrophobicContact CG-CE2 4.47Å; Y293-F297 WeakPolarHBondContact O-CD2 3.49Å; Y293-F297 PolarHBondContact O-N 2.79Å; Y293-F297 VanDerWaalsContact O-N 3.16Å; Y293-N299 WeakPolarHBondContact CB-OD1 3.48Å; Y293-N299 PolarHBondContact N-OD1 3.36Å
294C82.5Confident93.9Very high50 Ų5026.1 Ų26.134%0.33815%0.148SC..G310 helixtrans55.83.4-174.7-61.40000116.5N292 E296N292-C294 PolarHBondContact O-N 2.98Å; C294-E296 HydrophobicContact CB-CG 4.48Å
295G79Confident93.8Very high55 Ų5527.7 Ų27.757%0.56716%0.155SC*.G310 helixtrans72.112-16800000114.3N292 Y293N292-G295 WeakPolarHBondContact O-CA 3.29Å; N292-G295 PolarHBondContact O-N 3.36Å; N292-G295 VanDerWaalsContact OD1-C 3.28Å; N292-G295 VanDerWaalsContact OD1-CA 3.25Å; N292-G295 WeakPolarHBondContact OD1-CA 3.45Å; Y293-G295 PolarHBondContact O-N 2.93Å
296E79.8Confident93.8Very high165 Ų16527.8 Ų27.877%0.77116%0.156SC*.THydrogen-bonded Turntrans-116.9-26-175-65.8-174.1166.900112.8Y293 C294Y293-E296 PolarHBondContact O-N 3.46Å; C294-E296 HydrophobicContact CB-CG 4.48Å
297F86.2Confident93.7Very high88 Ų8830.8 Ų30.839%0.38617%0.171SC..  trans-94.4155.5179.9-65.5-108.2000110.3V271 N292 Y293 N299V271-F297 HydrophobicContact CG1-CD1 4.06Å; V271-F297 HydrophobicContact CG1-CE1 4.35Å; N292-F297 VanDerWaalsContact CA-O 3.31Å; N292-F297 WeakPolarHBondContact CA-O 3.45Å; N292-F297 PolarHBondContact OD1-O 3.23Å; Y293-F297 AromaticContact CD1-CD2 3.71Å; Y293-F297 HydrophobicContact CD1-CD2 3.71Å; Y293-F297 AromaticContact CD1-CE2 3.56Å; Y293-F297 HydrophobicContact CD1-CE2 3.56Å; Y293-F297 HydrophobicContact CD1-CG 4.26Å; Y293-F297 HydrophobicContact CD1-CZ 4.01Å; Y293-F297 HydrophobicContact CE1-CE2 4.13Å; Y293-F297 HydrophobicContact CE1-CZ 4.44Å; Y293-F297 HydrophobicContact CG-CD2 4.23Å; Y293-F297 HydrophobicContact CG-CE2 4.47Å; Y293-F297 WeakPolarHBondContact O-CD2 3.49Å; Y293-F297 PolarHBondContact O-N 2.79Å; Y293-F297 VanDerWaalsContact O-N 3.16Å; F297-N299 VanDerWaalsContact CB-OD1 3.22Å; F297-N299 WeakPolarHBondContact CB-OD1 3.48Å
298D90.7Very high93.4Very high106 Ų10638.4 Ų38.457%0.56721%0.207SC*.  trans-101.811.2172.254-18.2000113.2P319D298-P319 WeakPolarHBondContact O-CG 3.05Å
299N95.3Very high93.2Very high2 Ų244.2 Ų44.21%0.01124%0.238CC..PPolyproline II helixtrans-62.5146.4178.476.9-70.7000112.6V271 E273 A290 N292 Y293 F297V271-N299 HydrophobicContact CG1-CB 4.19Å; E273-N299 CarbonylContact O-C 3.26Å; E273-N299 WeakPolarHBondContact O-CA 3.27Å; A290-N299 PolarHBondContact O-ND2 3.47Å; N292-N299 PolarHBondContact N-O 3.27Å; Y293-N299 WeakPolarHBondContact CB-OD1 3.48Å; Y293-N299 PolarHBondContact N-OD1 3.36Å; F297-N299 VanDerWaalsContact CB-OD1 3.22Å; F297-N299 WeakPolarHBondContact CB-OD1 3.48Å
300A96.1Very high92.8Very high11 Ų1145.6 Ų45.69%0.09125%0.248CC..PPolyproline II helixtrans-74.2156.716100000111E273 G275 I316E273-A300 PolarHBondContact O-N 3.21Å; G275-A300 VanDerWaalsContact CA-O 3.25Å; G275-A300 WeakPolarHBondContact CA-O 3.48Å; G275-A300 PolarHBondContact N-O 3.22Å; A300-I316 HydrophobicContact CB-CG2 3.82Å
301G97.7Very high92.7Very high0 Ų046.7 Ų46.70%025%0.254CS..EExtended strand (participates in β ladder)trans-101149.9164.700000109.8Y96 F288 I316 L317Y96-G301 WeakPolarHBondContact OH-CA 3.15Å; Y96-G301 PolarHBondContact OH-O 2.91Å; F288-G301 CarbonylContact O-C 3.52Å; F288-G301 WeakPolarHBondContact O-CA 3.3Å; G301-I316 CarbonylContact O-C 3.52Å; G301-I316 WeakPolarHBondContact O-CA 3.43Å; G301-L317 PolarHBondContact N-O 3.27Å; G301-L317 PolarHBondContact O-N 3Å
302A98.5Very high92.8Very high0 Ų047.4 Ų47.40%026%0.259CS..EExtended strand (participates in β ladder)trans-139.4158.2171.700000113Y96 Y276 V287 F288 S289 V315 I316Y96-A302 PolarHBondContact OH-N 3.37Å; Y96-A302 VanDerWaalsContact OH-N 3.16Å; Y276-A302 HydrophobicContact CD1-CB 4.32Å; V287-A302 WeakPolarHBondContact CG1-O 3.46Å; F288-A302 PolarHBondContact O-N 3.13Å; S289-A302 WeakPolarHBondContact CA-O 3.3Å; S289-A302 WeakPolarHBondContact CB-O 3.31Å; S289-A302 PolarHBondContact OG-O 3.2Å; A302-V315 WeakPolarHBondContact CA-O 3.18Å; A302-I316 HydrophobicContact CB-CG1 4.46Å
303V98.8Very high93.1Very high0 Ų046.4 Ų46.40%026%0.255CS..EExtended strand (participates in β ladder)trans-122.4147.3161.8-63.50000109.1I81 I82 V83 Y96 F314 V315I81-V303 HydrophobicContact CG2-CB 3.9Å; I81-V303 HydrophobicContact CG2-CG2 3.87Å; I82-V303 WeakPolarHBondContact O-CA 3.33Å; I82-V303 WeakPolarHBondContact O-CB 3.49Å; V83-V303 HydrophobicContact CB-CG1 4.25Å; V83-V303 HydrophobicContact CG1-CG1 4.09Å; V83-V303 HydrophobicContact CG2-CG1 3.88Å; Y96-V303 HydrophobicContact CD1-CB 4.19Å; Y96-V303 HydrophobicContact CD1-CG1 3.54Å; Y96-V303 HydrophobicContact CD1-CG2 3.58Å; Y96-V303 HydrophobicContact CD2-CG1 3.8Å; Y96-V303 HydrophobicContact CE1-CB 4.3Å; Y96-V303 HydrophobicContact CE1-CG1 3.66Å; Y96-V303 HydrophobicContact CE1-CG2 3.95Å; Y96-V303 HydrophobicContact CE2-CG1 3.92Å; Y96-V303 HydrophobicContact CG-CG1 3.63Å; Y96-V303 HydrophobicContact CG-CG2 4.28Å; V303-F314 WeakPolarHBondContact O-CA 3.15Å; V303-V315 HydrophobicContact CG2-CB 3.84Å; V303-V315 PolarHBondContact N-O 2.93Å; V303-V315 VanDerWaalsContact N-O 3.08Å; V303-V315 PolarHBondContact O-N 2.84Å
304M98.7Very high93.4Very high1 Ų145.8 Ų45.81%0.00525%0.253CS..EExtended strand (participates in β ladder)trans-97.4123179.2-179.8-174.9172.400109.7I81 I82 L264 V266 V285 V287 I306 C312 S313 F314I81-M304 CarbonylContact C-O 3.52Å; I81-M304 WeakPolarHBondContact CA-O 3.07Å; I82-M304 HydrophobicContact CB-CB 4.29Å; I82-M304 HydrophobicContact CD1-SD 4.4Å; I82-M304 PolarHBondContact N-O 2.95Å; I82-M304 PolarHBondContact O-N 2.86Å; L264-M304 HydrophobicContact CD2-CE 3.93Å; V266-M304 HydrophobicContact CG1-SD 3.97Å; V266-M304 HydrophobicContact CG2-CE 4.2Å; V266-M304 HydrophobicContact CG2-SD 4.03Å; V285-M304 HydrophobicContact CG1-SD 4.29Å; V287-M304 HydrophobicContact CG2-CB 4.01Å; V287-M304 HydrophobicContact CG2-SD 4.42Å; M304-I306 HydrophobicContact CE-CD1 4.26Å; M304-I306 HydrophobicContact CE-CG1 4.09Å; M304-C312 HydrophobicContact CE-CB 3.55Å; M304-C312 WeakPolarHBondContact CE-SG 3.35Å; M304-S313 CarbonylContact C-O 3.53Å; M304-S313 WeakPolarHBondContact CA-O 3.32Å; M304-F314 HydrophobicContact CB-CD1 3.95Å; M304-F314 HydrophobicContact CB-CE1 3.75Å; M304-F314 HydrophobicContact CG-CD1 4.32Å; M304-F314 HydrophobicContact CG-CE1 3.85Å; M304-F314 HydrophobicContact CG-CZ 4.32Å; M304-F314 HydrophobicContact SD-CE1 4.38Å
305Q98.4Very high94.2Very high34 Ų3444.2 Ų44.216%0.15924%0.242CC..EExtended strand (participates in β ladder)trans-98.2134.9174.4-57.1-163.9-6500110.1I81 C312 S313 V315I81-Q305 HydrophobicContact CG1-CG 4.26Å; Q305-C312 CarbonylContact O-C 3.57Å; Q305-C312 WeakPolarHBondContact O-CA 3.46Å; Q305-S313 PolarHBondContact N-O 2.78Å; Q305-S313 PolarHBondContact O-N 3.16Å; Q305-V315 HydrophobicContact CG-CG2 3.94Å
306I98.1Very high95Very high4 Ų443.4 Ų43.42%0.02122%0.224CC..EExtended strand (participates in β ladder)trans-120.4120.8173.6-58.1158.7000107.1P79 L80 I82 V186 M190 M304 V311P79-I306 CarbonylContact C-O 3.58Å; P79-I306 WeakPolarHBondContact CA-O 3.46Å; P79-I306 WeakPolarHBondContact CB-O 3.42Å; L80-I306 HydrophobicContact CD2-CB 3.89Å; L80-I306 HydrophobicContact CD2-CD1 3.76Å; L80-I306 HydrophobicContact CD2-CG1 4.42Å; L80-I306 HydrophobicContact CD2-CG2 4.3Å; L80-I306 HydrophobicContact CG-CD1 4.24Å; L80-I306 PolarHBondContact N-O 2.85Å; L80-I306 PolarHBondContact O-N 2.7Å; I82-I306 HydrophobicContact CD1-CD1 3.54Å; I82-I306 HydrophobicContact CG1-CD1 4.07Å; V186-I306 HydrophobicContact CG1-CD1 4.33Å; M190-I306 HydrophobicContact CE-CD1 3.52Å; M190-I306 HydrophobicContact CE-CG1 4.29Å; M190-I306 HydrophobicContact SD-CD1 3.51Å; M190-I306 VanDerWaalsContact SD-CD1 3.51Å; M304-I306 HydrophobicContact CE-CD1 4.26Å; M304-I306 HydrophobicContact CE-CG1 4.09Å; I306-V311 WeakPolarHBondContact CA-O 3.49Å
307N96.4Very high95.8Very high63 Ų6336.3 Ų36.334%0.33719%0.191SC..  trans-87.2-179.1179.277.20.9000112.1S78 D309 S310 V311S78-N307 VanDerWaalsContact CB-O 3.32Å; S78-N307 WeakPolarHBondContact CB-O 3.27Å; N307-D309 PolarHBondContact O-N 3.18Å; N307-D309 WeakPolarHBondContact OD1-CA 3.47Å; N307-D309 PolarHBondContact OD1-N 3.02Å; N307-S310 PolarHBondContact O-N 3.29Å; N307-S310 PolarHBondContact OD1-N 3.44Å; N307-V311 PolarHBondContact N-O 3.21Å; N307-V311 VanDerWaalsContact N-O 3.11Å; N307-V311 WeakPolarHBondContact OD1-CB 3.32Å; N307-V311 PolarHBondContact OD1-N 3.04Å
308E93.7Very high96Very high160 Ų16039 Ų3975%0.74820%0.203SC*.THydrogen-bonded Turntrans-59.5-25.5-179.7-68174.1-174.700114P79 S310P79-E308 HydrophobicContact CB-CG 4.34Å; P79-E308 HydrophobicContact CG-CG 3.98Å; E308-S310 VanDerWaalsContact C-N 3.3Å
309D92.9Very high95.8Very high124 Ų12435.3 Ų35.366%0.66319%0.185SC*.THydrogen-bonded Turntrans-91.411.4177.6-61.3-51000112.7N307 V311N307-D309 PolarHBondContact O-N 3.18Å; N307-D309 WeakPolarHBondContact OD1-CA 3.47Å; N307-D309 PolarHBondContact OD1-N 3.02Å; D309-V311 HydrophobicContact CB-CG2 4.07Å; D309-V311 PolarHBondContact O-N 3.33Å
310S90.9Very high94.8Very high28 Ų2843.4 Ų43.420%0.19622%0.217CC..  trans60.520.8-174.1-48.60000114.4D187 N307 E308D187-S310 PolarHBondContact OD2-OG 2.81Å; N307-S310 PolarHBondContact O-N 3.29Å; N307-S310 PolarHBondContact OD1-N 3.44Å; E308-S310 VanDerWaalsContact C-N 3.3Å
311V94.8Very high93.2Very high23 Ų2348.6 Ų48.614%0.13924%0.242CC..  trans-77.8131.8174.7-1790000109.2I306 N307 D309 I355I306-V311 WeakPolarHBondContact CA-O 3.49Å; N307-V311 PolarHBondContact N-O 3.21Å; N307-V311 VanDerWaalsContact N-O 3.11Å; N307-V311 WeakPolarHBondContact OD1-CB 3.32Å; N307-V311 PolarHBondContact OD1-N 3.04Å; D309-V311 HydrophobicContact CB-CG2 4.07Å; D309-V311 PolarHBondContact O-N 3.33Å; V311-I355 WeakPolarHBondContact CG1-O 3.22Å
312C97.2Very high91.2Very high21 Ų2153 Ų5314%0.14227%0.269CS..EExtended strand (participates in β ladder)trans-99.7130.4-176.3-58.20000110.7M304 Q305 I355M304-C312 HydrophobicContact CE-CB 3.55Å; M304-C312 WeakPolarHBondContact CE-SG 3.35Å; Q305-C312 CarbonylContact O-C 3.57Å; Q305-C312 WeakPolarHBondContact O-CA 3.46Å; C312-I355 PolarHBondContact O-N 2.89Å
313S97.7Very high88.7Confident23 Ų2362.3 Ų62.316%0.16131%0.309CS..EExtended strand (participates in β ladder)trans-137.8167.8171.353.70000110.4M304 Q305 E353M304-S313 CarbonylContact C-O 3.53Å; M304-S313 WeakPolarHBondContact CA-O 3.32Å; Q305-S313 PolarHBondContact N-O 2.78Å; Q305-S313 PolarHBondContact O-N 3.16Å; S313-E353 WeakPolarHBondContact CB-O 3.44Å
314F98.4Very high85.9Confident3 Ų371.6 Ų71.61%0.01335%0.35CS..EExtended strand (participates in β ladder)trans-120.2141.4-178.8-61.1-86.2000111.4Y276 F278 V285 V287 V303 M304 I316 I355Y276-F314 HydrophobicContact CD1-CB 4.2Å; Y276-F314 AromaticContact CD1-CD1 3.99Å; Y276-F314 HydrophobicContact CD1-CD1 3.99Å; Y276-F314 HydrophobicContact CD1-CD2 4.16Å; Y276-F314 HydrophobicContact CD1-CE1 4.41Å; Y276-F314 AromaticContact CD1-CG 3.85Å; Y276-F314 HydrophobicContact CD1-CG 3.85Å; Y276-F314 HydrophobicContact CD2-CD1 4.37Å; Y276-F314 HydrophobicContact CD2-CD2 4.03Å; Y276-F314 HydrophobicContact CD2-CE1 4.04Å; Y276-F314 AromaticContact CD2-CE2 3.67Å; Y276-F314 HydrophobicContact CD2-CE2 3.67Å; Y276-F314 HydrophobicContact CD2-CG 4.37Å; Y276-F314 AromaticContact CD2-CZ 3.67Å; Y276-F314 HydrophobicContact CD2-CZ 3.67Å; Y276-F314 HydrophobicContact CE1-CB 4.26Å; Y276-F314 HydrophobicContact CE1-CD2 4.12Å; Y276-F314 HydrophobicContact CE1-CG 4.11Å; Y276-F314 AromaticContact CE2-CD2 3.99Å; Y276-F314 HydrophobicContact CE2-CD2 3.99Å; Y276-F314 AromaticContact CE2-CE2 3.82Å; Y276-F314 HydrophobicContact CE2-CE2 3.82Å; Y276-F314 HydrophobicContact CE2-CZ 4.3Å; Y276-F314 AromaticContact CG-CD1 3.79Å; Y276-F314 HydrophobicContact CG-CD1 3.79Å; Y276-F314 HydrophobicContact CG-CD2 4.11Å; Y276-F314 AromaticContact CG-CE1 3.75Å; Y276-F314 HydrophobicContact CG-CE1 3.75Å; Y276-F314 HydrophobicContact CG-CE2 4.07Å; Y276-F314 AromaticContact CG-CG 3.98Å; Y276-F314 HydrophobicContact CG-CG 3.98Å; Y276-F314 AromaticContact CG-CZ 3.9Å; Y276-F314 HydrophobicContact CG-CZ 3.9Å; F278-F314 HydrophobicContact CZ-CE2 4.04Å; F278-F314 HydrophobicContact CZ-CZ 4.24Å; V285-F314 HydrophobicContact CG1-CE1 4.01Å; V285-F314 HydrophobicContact CG1-CZ 3.78Å; V287-F314 HydrophobicContact CG2-CE1 4.34Å; V303-F314 WeakPolarHBondContact O-CA 3.15Å; M304-F314 HydrophobicContact CB-CD1 3.95Å; M304-F314 HydrophobicContact CB-CE1 3.75Å; M304-F314 HydrophobicContact CG-CD1 4.32Å; M304-F314 HydrophobicContact CG-CE1 3.85Å; M304-F314 HydrophobicContact CG-CZ 4.32Å; M304-F314 HydrophobicContact SD-CE1 4.38Å; F314-I316 HydrophobicContact CB-CG1 4.49Å; F314-I355 HydrophobicContact CD2-CD1 4.42Å; F314-I355 HydrophobicContact CE2-CD1 3.95Å
315V98.2Very high82.9Confident17 Ų1781.1 Ų81.110%0.10339%0.391CS..EExtended strand (participates in β ladder)trans-107.9112.8167.5176.40000107.8R99 A302 V303 Q305R99-V315 HydrophobicContact CB-CG1 4.08Å; A302-V315 WeakPolarHBondContact CA-O 3.18Å; V303-V315 HydrophobicContact CG2-CB 3.84Å; V303-V315 PolarHBondContact N-O 2.93Å; V303-V315 VanDerWaalsContact N-O 3.08Å; V303-V315 PolarHBondContact O-N 2.84Å; Q305-V315 HydrophobicContact CG-CG2 3.94Å
316I97.8Very high80Confident39 Ų3984 Ų8420%0.242%0.415CS..EExtended strand (participates in β ladder)trans-95.6138.5-173.4-55.1172.3000110.2R99 Y276 A300 G301 A302 F314R99-I316 PolarHBondContact NH1-O 2.8Å; R99-I316 VanDerWaalsContact NH1-O 3.1Å; Y276-I316 HydrophobicContact CE1-CD1 4.14Å; A300-I316 HydrophobicContact CB-CG2 3.82Å; G301-I316 CarbonylContact O-C 3.52Å; G301-I316 WeakPolarHBondContact O-CA 3.43Å; A302-I316 HydrophobicContact CB-CG1 4.46Å; F314-I316 HydrophobicContact CB-CG1 4.49Å
317L95Very high77Confident15 Ų1590.4 Ų90.48%0.07946%0.455CS..EExtended strand (participates in β ladder)trans-112.2105.1170-174.366.1000108.5D92 Q95 Y96 A291 G301D92-L317 HydrophobicContact CB-CD2 3.77Å; Q95-L317 HydrophobicContact CB-CD1 4.03Å; Q95-L317 HydrophobicContact CB-CD2 4.24Å; Q95-L317 HydrophobicContact CG-CD1 4.23Å; Y96-L317 HydrophobicContact CE1-CB 4.09Å; A291-L317 HydrophobicContact CB-CB 4.35Å; A291-L317 HydrophobicContact CB-CD2 4.03Å; A291-L317 HydrophobicContact CB-CG 4.08Å; A291-L317 WeakPolarHBondContact CB-O 3.33Å; G301-L317 PolarHBondContact N-O 3.27Å; G301-L317 PolarHBondContact O-N 3Å
318K91.8Very high74Confident144 Ų14494.3 Ų94.363%0.62647%0.474SS*.  trans-66.6143.3177.5-66.7-178-178.5171.80110.1Y320 E351K318-Y320 PolarHBondContact O-N 2.73Å; K318-E351 IonicContact NZ-OE2 4Å; K318-E351 PolarHBondContact NZ-OE2 3Å; K318-E351 VanDerWaalsContact NZ-OE2 3.16Å
319P85.1Confident71.1Confident30 Ų3096 Ų9620%0.19548%0.482CS..  trans-61.4132177.529.4-39000110.5N292 D298 I321N292-P319 HydrophobicContact CB-CB 3.77Å; D298-P319 WeakPolarHBondContact O-CG 3.05Å; P319-I321 HydrophobicContact CB-CG1 4.41Å; P319-I321 HydrophobicContact CG-CG1 4.41Å; P319-I321 PolarHBondContact O-N 2.86Å
320Y74Confident68.3Low171 Ų17198.5 Ų98.567%0.67149%0.49SS*.  trans-78.888.5170.3-171.7-105.1000109.6K318 T322K318-Y320 PolarHBondContact O-N 2.73Å; Y320-T322 HydrophobicContact CD1-CG2 3.84Å; Y320-T322 HydrophobicContact CE1-CG2 3.33Å; Y320-T322 PolarHBondContact O-N 3.47Å; Y320-T322 VanDerWaalsContact O-N 3.13Å
321I62.7Low65.6Low120 Ų120103 Ų10362%0.61552%0.518SS*.  trans-77.197.6171-53.9173.7000106.9P319 K323P319-I321 HydrophobicContact CB-CG1 4.41Å; P319-I321 HydrophobicContact CG-CG1 4.41Å; P319-I321 PolarHBondContact O-N 2.86Å; I321-K323 PolarHBondContact O-N 3.35Å
322T56.1Low62.7Low93 Ų93110.9 Ų110.957%0.57155%0.554SS**  trans-58109.6159.946.30000106.3Y320 K324Y320-T322 HydrophobicContact CD1-CG2 3.84Å; Y320-T322 HydrophobicContact CE1-CG2 3.33Å; Y320-T322 PolarHBondContact O-N 3.47Å; Y320-T322 VanDerWaalsContact O-N 3.13Å; T322-K324 PolarHBondContact O-N 2.92Å
323K45.5Very low59.6Low196 Ų196114.8 Ų114.885%0.85258%0.582SS**  trans-48.8110.9164.5-75.1-176.7177.8179.50105.4I321 K325I321-K323 PolarHBondContact O-N 3.35Å; K323-K325 PolarHBondContact O-N 3.39Å
324K40.4Very low56.2Low195 Ų195119.6 Ų119.685%0.84861%0.61SS**  trans-48.8118.2163.7-83.7178.7177.5170.50103.7T322 S326T322-K324 PolarHBondContact O-N 2.92Å; K324-S326 VanDerWaalsContact C-N 3.31Å; K324-S326 PolarHBondContact O-N 2.99Å
325K36Very low53Low200 Ų200126.5 Ų126.587%0.8765%0.647SS**  trans-50.2108.4170.6-87.3-174.3173.4-174.10104.8K323 T327K323-K325 PolarHBondContact O-N 3.39Å; K325-T327 VanDerWaalsContact C-N 3.34Å; K325-T327 PolarHBondContact O-N 3.43Å
326S37.2Very low49.7Very low96 Ų96132.3 Ų132.367%0.67168%0.678SS**  trans-61.1107.4170.951.80000104.3K324 L328K324-S326 VanDerWaalsContact C-N 3.31Å; K324-S326 PolarHBondContact O-N 2.99Å; S326-L328 PolarHBondContact O-N 3.27Å
327T35.3Very low46.3Very low138 Ų138136.9 Ų136.985%0.84770%0.703SS**  trans-68.678.8166.446.20000106.8K325K325-T327 VanDerWaalsContact C-N 3.34Å; K325-T327 PolarHBondContact O-N 3.43Å
328L33.4Very low43.1Very low144 Ų144143.8 Ų143.875%0.75473%0.734SS**  trans-13972.7166.8-72.8175.9000105.6S326S326-L328 PolarHBondContact O-N 3.27Å
329E33.5Very low40Very low196 Ų196145.8 Ų145.892%0.91674%0.743SS**  trans-113.195.4154.7-77.2-179-178.600105.5
330E33Very low37.1Very low176 Ų176154 Ų15482%0.82278%0.776SS**  trans-66.7150.7158.5-70.6-173.7161.800109
331P35Very low34.9Very low122 Ų122155.2 Ų155.279%0.79279%0.787SS**  trans-92.7119.5-165.534-26.9000110.8
332E34.3Very low33.2Very low189 Ų189157 Ų15788%0.88380%0.799SS**  trans-133.9119.4158.3-76.9-164.8158.800112.9
333S32.4Very low31.9Very low104 Ų104158 Ų15873%0.72781%0.809SS**  trans11129.1152.550.70000121.5
334T24.7Very low31.1Very low124 Ų124151.7 Ų151.776%0.76180%0.8SS**  trans-17.9121.714350.40000116.6
335D30.8Very low30.6Very low147 Ų147149.3 Ų149.379%0.78680%0.801SS**  -172.4126.9114.7-95.9-14.1000112.1
336D29.3Very low30.2Very low139 Ų139149.1 Ų149.174%0.74380%0.801SS**  trans36.6131144.7-70.2-17.1000124.8
337N27.9Very low29.8Very low136 Ų136153.4 Ų153.473%0.72781%0.81SS**  trans88113.3139-75.8-31000121.9
338E26.5Very low29.7Very low159 Ų159154.6 Ų154.674%0.74381%0.806SS**  trans74.6120130.4-79.8-162.8177.500121.7
339K27.5Very low29.5Very low187 Ų187156.4 Ų156.481%0.81381%0.81SS**  trans116.2117.9139.9-76.7171.3-172.5173.80117.4
340K23.8Very low29.4Very low203 Ų203156.3 Ų156.388%0.88381%0.807SS**  trans-38140.3161.3-63.1172.8173-179.60112.9
341E27.4Very low29.5Very low195 Ų195154.5 Ų154.591%0.91180%0.799SS**  trans-152.3133.8130.4-111170-156.700110.6
342D26.3Very low29.4Very low159 Ų159155.8 Ų155.885%0.8579%0.792SS**  trans-73.5129.5-179.8-175.115.2000109.3
343S30.6Very low29.6Very low113 Ų113151.4 Ų151.479%0.7977%0.771SS**  trans-124.6110.7169.456.30000109.1
344G27.9Very low29.5Very low64 Ų64153.2 Ų153.266%0.6677%0.768SS**  trans-62.7150.5-169.500000114.8K346G344-K346 PolarHBondContact O-N 2.96Å
345V29.8Very low30Very low145 Ų145149.8 Ų149.888%0.87974%0.744SS**  trans-64.1114.6168.1179.50000108.3E347V345-E347 PolarHBondContact O-N 3.15Å
346K27.6Very low29.9Very low196 Ų196147.8 Ų147.885%0.85274%0.738SS**PPolyproline II helixtrans-74.5117.9168.9-74.7-174.7174.5-175.60108.8G344G344-K346 PolarHBondContact O-N 2.96Å
347E28.5Very low30.3Very low185 Ų185148.3 Ų148.386%0.86474%0.736SS**PPolyproline II helixtrans-61.6131.2167.6-69.9-177.614900109.6V345 E349V345-E347 PolarHBondContact O-N 3.15Å; E347-E349 PolarHBondContact O-N 3.34Å
348E33.7Very low30.5Very low164 Ų164146.4 Ų146.477%0.76673%0.731SS**PPolyproline II helixtrans-64.5120.6-178.8-69.8179.9164.800111.1R99R99-E348 IonicContact NH2-OE2 3.7Å; R99-E348 PolarHBondContact NH2-OE2 2.61Å
349E29.9Very low31Very low181 Ų181140.5 Ų140.585%0.84671%0.706SS**PPolyproline II helixtrans-64.5133.4172.2-77.5178.6150.300111E347 E351E347-E349 PolarHBondContact O-N 3.34Å; E349-E351 PolarHBondContact O-N 3.39Å; E349-E351 VanDerWaalsContact O-N 3.08Å
350K31.2Very low31Very low194 Ų194137.3 Ų137.384%0.84370%0.698SS**  trans-7291.5173-66.7178-179.3176.40109.4K352K350-K352 PolarHBondContact O-N 2.81Å
351E34.8Very low31.1Very low139 Ų139135 Ų13565%0.6570%0.695SS**  trans-78.4107.1165.2-75.9177.6149.900108.8K318 E349K318-E351 IonicContact NZ-OE2 4Å; K318-E351 PolarHBondContact NZ-OE2 3Å; K318-E351 VanDerWaalsContact NZ-OE2 3.16Å; E349-E351 PolarHBondContact O-N 3.39Å; E349-E351 VanDerWaalsContact O-N 3.08Å
352K32.3Very low31.2Very low148 Ų148133.8 Ų133.864%0.64369%0.693SS**  trans-99.5119.5165.3-71.9-174174.4-168.40107.3K350K350-K352 PolarHBondContact O-N 2.81Å
353E38.7Very low31.1Very low97 Ų97135 Ų13545%0.45369%0.693SS.*EExtended strand (participates in β ladder)trans-87.7113.9166-72.6-171.7152.800108.8Y276 S313Y276-E353 PolarHBondContact OH-OE2 2.95Å; S313-E353 WeakPolarHBondContact CB-O 3.44Å
354E29.8Very low30.9Very low143 Ų143139.5 Ų139.567%0.66870%0.699SS**EExtended strand (participates in β ladder)trans-100.4114-177.4-164.7172.3-157.900109.4T356E354-T356 HydrophobicContact CG-CG2 4.32Å
355I36.9Very low30.9Very low51 Ų51142 Ų14226%0.26271%0.706SS.*EExtended strand (participates in β ladder)trans-100.5103.5175-59.7176.4000108.1F278 V311 C312 F314 Q357F278-I355 HydrophobicContact CE2-CD1 3.75Å; F278-I355 HydrophobicContact CZ-CD1 3.54Å; V311-I355 WeakPolarHBondContact CG1-O 3.22Å; C312-I355 PolarHBondContact O-N 2.89Å; F314-I355 HydrophobicContact CD2-CD1 4.42Å; F314-I355 HydrophobicContact CE2-CD1 3.95Å; I355-Q357 PolarHBondContact O-N 3.29Å
356T28.3Very low30.8Very low105 Ų105148.6 Ų148.664%0.64472%0.723SS**  trans-86.596.217845.40000110.6E354E354-T356 HydrophobicContact CG-CG2 4.32Å
357Q37.2Very low30.9Very low150 Ų150146.3 Ų146.370%0.70172%0.717SS**  trans-136.7123.8151-71.4-153.1-0.600110.1I355 V359I355-Q357 PolarHBondContact O-N 3.29Å; Q357-V359 PolarHBondContact O-N 3.35Å
358P31.3Very low31.1Very low96 Ų96144.2 Ų144.262%0.62371%0.709SS**  trans-66.7130.917125.3-29.5000109.1N360P358-N360 PolarHBondContact O-N 3.15Å
359V37Very low30.9Very low36 Ų36143.1 Ų143.122%0.21871%0.706CS.*SBendtrans-71.747.4174.1-173.90000109.9K263 Q357K263-V359 HydrophobicContact CB-CG1 3.87Å; K263-V359 HydrophobicContact CD-CG1 3.4Å; K263-V359 VanDerWaalsContact CD-CG1 3.4Å; K263-V359 HydrophobicContact CG-CG1 4.32Å; K263-V359 PolarHBondContact NZ-O 3.47Å; Q357-V359 PolarHBondContact O-N 3.35Å
360N28.4Very low31Very low120 Ų120140.9 Ų140.964%0.64270%0.697SS**  trans-148.785.8179-84.9-30.2000110.5K263 P358K263-N360 PolarHBondContact NZ-OD1 3.15Å; K263-N360 VanDerWaalsContact NZ-OD1 3.12Å; P358-N360 PolarHBondContact O-N 3.15Å
361N25.7Very low31Very low153 Ų153137.6 Ų137.682%0.81869%0.688SS**  trans-156.1107.5151.1-96.3-26000108.7
362I29.1Very low30.7Very low171 Ų171137.5 Ų137.588%0.87769%0.691SS**  trans-167.5119.9137.6-88144.3000106.8
363Q25.3Very low30.6Very low183 Ų183136.7 Ų136.786%0.85569%0.694SS**  trans-63.9138.8172.1-74.6167.8-35.400110.3S365Q363-S365 PolarHBondContact O-N 3.44Å; Q363-S365 VanDerWaalsContact O-N 3.11Å
364K25.1Very low30Very low209 Ų209139.8 Ų139.891%0.90971%0.713SS**  trans-58.8108.9160.9-71.1179.4175.41800108.9
365S29.2Very low30Very low117 Ų117139.5 Ų139.582%0.81872%0.716SS**  trans-78.5142152.450.50000108.5Q363Q363-S365 PolarHBondContact O-N 3.44Å; Q363-S365 VanDerWaalsContact O-N 3.11Å
366K26.6Very low29.4Very low283 Ų283147.5 Ų147.5100%1.2376%0.758SS**  trans-53.90-165.3-73.6174.8173.6175.70115.9

Retrieved 366 of 366 residues in 108.6 ms (Link to these results)

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