A0A087XCV3_POEFO Loading...

Src kinase-associated phosphoprotein 2

May be involved in B-cell and macrophage adhesion processes. May play a role in src signaling pathway.

AlphaFold DB , UniProt , Accession A0A087XCV3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 349 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
1M48.9Very low71.9Confident229 Ų229106.1 Ų106.1100%1.12855%0.547SS*.  0-165.80-70.460.8171.300107.9
2R57.5Low73Confident236 Ų23699.4 Ų99.489%0.89151%0.512SS*.PPolyproline II helixtrans-86.3130.1154-73.8-178.2178.1165.3-0.4106.9
3A64.8Low73.8Confident74 Ų7495.2 Ų95.261%0.61250%0.496SS*.PPolyproline II helixtrans-62.6148.4171.300000110.4D53A3-D53 WeakPolarHBondContact CB-OD1 3.13Å
4I71.3Confident74.6Confident24 Ų2495.5 Ų95.512%0.12350%0.499CS..PPolyproline II helixtrans-71.8134.5169-64.7-177.6000109L8 T9 F50 D53 F54I4-L8 HydrophobicContact CG2-CB 3.82Å; I4-L8 HydrophobicContact CG2-CD2 4.03Å; I4-L8 HydrophobicContact CG2-CG 4.01Å; I4-T9 HydrophobicContact CB-CG2 3.9Å; I4-T9 HydrophobicContact CG2-CG2 3.51Å; I4-F50 HydrophobicContact CD1-CB 3.79Å; I4-F50 HydrophobicContact CD1-CD1 3.64Å; I4-F50 HydrophobicContact CD1-CD2 3.61Å; I4-F50 HydrophobicContact CD1-CE1 4.08Å; I4-F50 HydrophobicContact CD1-CE2 4.06Å; I4-F50 HydrophobicContact CD1-CG 3.39Å; I4-F50 HydrophobicContact CD1-CZ 4.28Å; I4-F50 HydrophobicContact CG1-CD1 3.79Å; I4-F50 HydrophobicContact CG1-CE1 4.08Å; I4-F50 HydrophobicContact CG1-CG 4.09Å; I4-D53 HydrophobicContact CB-CB 4.15Å; I4-D53 WeakPolarHBondContact CG1-OD2 3.48Å; I4-D53 PolarHBondContact N-OD2 3.39Å; I4-F54 HydrophobicContact CD1-CE2 4.31Å
5P77.6Confident75.3Confident83 Ų8393.7 Ų93.754%0.53949%0.49SS..PPolyproline II helixtrans-61138.3173.6-22.533.7000112.3E7 L8 T9P5-E7 PolarHBondContact O-N 2.81Å; P5-L8 WeakPolarHBondContact O-CA 3.24Å; P5-L8 WeakPolarHBondContact O-CB 3.44Å; P5-L8 PolarHBondContact O-N 3.3Å; P5-T9 PolarHBondContact O-N 2.78Å
6D71.4Confident76Confident97 Ų9789.6 Ų89.652%0.51947%0.467SS..Hα-helixtrans-48.3-36.5178.6-61.143.7000114.1L8 T9 T10 K57D6-L8 VanDerWaalsContact C-N 3.26Å; D6-L8 PolarHBondContact O-N 3.22Å; D6-T9 PolarHBondContact O-N 3.21Å; D6-T9 PolarHBondContact O-OG1 2.9Å; D6-T9 VanDerWaalsContact O-OG1 3.12Å; D6-T10 VanDerWaalsContact O-CB 3.32Å; D6-T10 WeakPolarHBondContact O-CB 3.31Å; D6-T10 PolarHBondContact O-N 3Å; D6-T10 PolarHBondContact O-OG1 2.82Å; D6-K57 IonicContact OD2-NZ 2.64Å; D6-K57 PolarHBondContact OD2-NZ 3.26Å
7E74.2Confident76.5Confident168 Ų16891.6 Ų91.679%0.78547%0.474SS*.Hα-helixtrans-61.5-36177.1-61.7-179.4171.800111.7P5 L11P5-E7 PolarHBondContact O-N 2.81Å; E7-L11 WeakPolarHBondContact O-CB 3.48Å; E7-L11 PolarHBondContact O-N 3.33Å
8L79.2Confident77Confident81 Ų8193.3 Ų93.342%0.42448%0.477SS..Hα-helixtrans-82.4-34.5-179.9-174.357.1000112I4 P5 D6 L11 I12I4-L8 HydrophobicContact CG2-CB 3.82Å; I4-L8 HydrophobicContact CG2-CD2 4.03Å; I4-L8 HydrophobicContact CG2-CG 4.01Å; P5-L8 WeakPolarHBondContact O-CA 3.24Å; P5-L8 WeakPolarHBondContact O-CB 3.44Å; P5-L8 PolarHBondContact O-N 3.3Å; D6-L8 VanDerWaalsContact C-N 3.26Å; D6-L8 PolarHBondContact O-N 3.22Å; L8-L11 HydrophobicContact CD1-CD2 4.23Å; L8-L11 PolarHBondContact O-N 2.83Å; L8-I12 HydrophobicContact CD1-CD1 4.12Å; L8-I12 HydrophobicContact CD1-CG1 4.25Å; L8-I12 HydrophobicContact CG-CD1 3.95Å; L8-I12 WeakPolarHBondContact O-CB 3.47Å; L8-I12 WeakPolarHBondContact O-CD1 3.33Å; L8-I12 WeakPolarHBondContact O-CG1 3.34Å; L8-I12 PolarHBondContact O-N 2.74Å
9T79.5Confident77.4Confident15 Ų1589.5 Ų89.59%0.09246%0.458CS..Hα-helixtrans-67.6-39.7173.3630000111.2I4 P5 D6 I12 S13 D53 F54I4-T9 HydrophobicContact CB-CG2 3.9Å; I4-T9 HydrophobicContact CG2-CG2 3.51Å; P5-T9 PolarHBondContact O-N 2.78Å; D6-T9 PolarHBondContact O-N 3.21Å; D6-T9 PolarHBondContact O-OG1 2.9Å; D6-T9 VanDerWaalsContact O-OG1 3.12Å; T9-I12 PolarHBondContact O-N 2.77Å; T9-S13 PolarHBondContact O-N 2.92Å; T9-S13 VanDerWaalsContact O-N 3.15Å; T9-D53 HydrophobicContact CG2-CB 4.14Å; T9-D53 WeakPolarHBondContact CG2-O 3.5Å; T9-F54 HydrophobicContact CG2-CD1 4.41Å; T9-F54 HydrophobicContact CG2-CE1 4.04Å; T9-F54 HydrophobicContact CG2-CE2 4.31Å; T9-F54 HydrophobicContact CG2-CZ 3.98Å
10T81.6Confident77.5Confident70 Ų7086.8 Ų86.843%0.42945%0.447SS..Hα-helixtrans-60.1-53.7171.6-51.70000110.8D6 I12 S13 D14D6-T10 VanDerWaalsContact O-CB 3.32Å; D6-T10 WeakPolarHBondContact O-CB 3.31Å; D6-T10 PolarHBondContact O-N 3Å; D6-T10 PolarHBondContact O-OG1 2.82Å; T10-I12 VanDerWaalsContact C-N 3.28Å; T10-I12 PolarHBondContact O-N 2.71Å; T10-S13 PolarHBondContact O-N 2.95Å; T10-D14 PolarHBondContact O-N 3.24Å
11L84.6Confident77.5Confident90 Ų9085.9 Ų85.947%0.47144%0.443SS..Hα-helixtrans-58-36.6178.917963000113.2E7 L8 L15E7-L11 WeakPolarHBondContact O-CB 3.48Å; E7-L11 PolarHBondContact O-N 3.33Å; L8-L11 HydrophobicContact CD1-CD2 4.23Å; L8-L11 PolarHBondContact O-N 2.83Å; L11-L15 HydrophobicContact CD1-CD1 3.63Å; L11-L15 HydrophobicContact CG-CD1 4.1Å; L11-L15 WeakPolarHBondContact O-CB 3.34Å; L11-L15 VanDerWaalsContact O-CD1 3.29Å; L11-L15 WeakPolarHBondContact O-CD1 3.37Å; L11-L15 PolarHBondContact O-N 2.96Å
12I86Confident78.9Confident26 Ų2676.8 Ų76.813%0.13341%0.408CS..Hα-helixtrans-68-38177-74.4166.4000111.3L8 T9 T10 E16 I43 V46 K47 F54L8-I12 HydrophobicContact CD1-CD1 4.12Å; L8-I12 HydrophobicContact CD1-CG1 4.25Å; L8-I12 HydrophobicContact CG-CD1 3.95Å; L8-I12 WeakPolarHBondContact O-CB 3.47Å; L8-I12 WeakPolarHBondContact O-CD1 3.33Å; L8-I12 WeakPolarHBondContact O-CG1 3.34Å; L8-I12 PolarHBondContact O-N 2.74Å; T9-I12 PolarHBondContact O-N 2.77Å; T10-I12 VanDerWaalsContact C-N 3.28Å; T10-I12 PolarHBondContact O-N 2.71Å; I12-E16 PolarHBondContact O-N 3.02Å; I12-I43 HydrophobicContact CG2-CG2 3.78Å; I12-V46 HydrophobicContact CD1-CG1 4.14Å; I12-K47 HydrophobicContact CG2-CG 4.41Å; I12-F54 HydrophobicContact CB-CE1 4.19Å; I12-F54 HydrophobicContact CB-CZ 4.08Å; I12-F54 HydrophobicContact CD1-CZ 3.97Å; I12-F54 HydrophobicContact CG2-CE1 3.99Å; I12-F54 HydrophobicContact CG2-CZ 3.83Å
13S83.2Confident79.9Confident44 Ų4466.7 Ų66.731%0.30837%0.371SS..Hα-helixtrans-72.1-38.7174.3-69.50000112.8T9 T10 L15 E16 Q17 K47T9-S13 PolarHBondContact O-N 2.92Å; T9-S13 VanDerWaalsContact O-N 3.15Å; T10-S13 PolarHBondContact O-N 2.95Å; S13-L15 VanDerWaalsContact C-N 3.34Å; S13-L15 PolarHBondContact O-N 2.88Å; S13-E16 WeakPolarHBondContact O-CB 3.34Å; S13-E16 PolarHBondContact O-N 2.75Å; S13-E16 VanDerWaalsContact O-N 3.12Å; S13-Q17 PolarHBondContact O-N 2.81Å; S13-K47 PolarHBondContact OG-NZ 3.02Å
14D84.4Confident80.1Confident100 Ų10069.4 Ų69.454%0.53537%0.369SS..Hα-helixtrans-61.7-41.5172.7-73.2-23.1000111.6T10 Q17 F18T10-D14 PolarHBondContact O-N 3.24Å; D14-Q17 PolarHBondContact O-N 3.08Å; D14-F18 WeakPolarHBondContact O-CB 3.28Å; D14-F18 PolarHBondContact O-N 3.13Å
15L85.8Confident80Confident68 Ų6873 Ų7336%0.35640%0.403SS..Hα-helixtrans-63.3-40.1171.8-100.876.2000111.8L11 S13 L19 F39 I43L11-L15 HydrophobicContact CD1-CD1 3.63Å; L11-L15 HydrophobicContact CG-CD1 4.1Å; L11-L15 WeakPolarHBondContact O-CB 3.34Å; L11-L15 VanDerWaalsContact O-CD1 3.29Å; L11-L15 WeakPolarHBondContact O-CD1 3.37Å; L11-L15 PolarHBondContact O-N 2.96Å; S13-L15 VanDerWaalsContact C-N 3.34Å; S13-L15 PolarHBondContact O-N 2.88Å; L15-L19 VanDerWaalsContact O-CB 3.26Å; L15-L19 WeakPolarHBondContact O-CB 3.43Å; L15-L19 WeakPolarHBondContact O-CD1 3.38Å; L15-L19 WeakPolarHBondContact O-CG 3.34Å; L15-L19 PolarHBondContact O-N 2.83Å; L15-F39 HydrophobicContact CD2-CE1 4.09Å; L15-I43 HydrophobicContact CB-CD1 4.15Å
16E85.7Confident80Confident28 Ų2874.1 Ų74.113%0.13140%0.401CS..Hα-helixtrans-62.7-45.9175.6-163.8166.8-162.800111.1I12 S13 L19 C20 I43 K44 K47I12-E16 PolarHBondContact O-N 3.02Å; S13-E16 WeakPolarHBondContact O-CB 3.34Å; S13-E16 PolarHBondContact O-N 2.75Å; S13-E16 VanDerWaalsContact O-N 3.12Å; E16-L19 PolarHBondContact O-N 3.34Å; E16-C20 WeakPolarHBondContact O-CB 3.31Å; E16-C20 PolarHBondContact O-N 2.71Å; E16-C20 PolarHBondContact O-SG 3.41Å; E16-C20 VanDerWaalsContact O-SG 3.32Å; E16-I43 HydrophobicContact CB-CG2 4.05Å; E16-I43 HydrophobicContact CG-CG2 4.21Å; E16-K44 WeakPolarHBondContact OE1-CE 3.3Å; E16-K47 WeakPolarHBondContact OE2-CE 3.44Å; E16-K47 IonicContact OE2-NZ 2.76Å; E16-K47 PolarHBondContact OE2-NZ 3.12Å
17Q84.9Confident80.5Confident124 Ų12475.6 Ų75.658%0.57942%0.419SS*.Hα-helixtrans-63.1-44.9178.4-157.9845800111.8S13 D14 L19 C20 D21 G22S13-Q17 PolarHBondContact O-N 2.81Å; D14-Q17 PolarHBondContact O-N 3.08Å; Q17-L19 VanDerWaalsContact C-N 3.34Å; Q17-L19 PolarHBondContact O-N 3.39Å; Q17-C20 PolarHBondContact O-N 2.93Å; Q17-D21 PolarHBondContact NE2-OD2 2.92Å; Q17-D21 PolarHBondContact O-N 3.05Å; Q17-G22 PolarHBondContact O-N 2.75Å
18F85.1Confident81Confident122 Ų12269.4 Ų69.454%0.53539%0.391SS..Hα-helixtrans-62-41.7177.1179.7-103.1000112D14 G22 L23D14-F18 WeakPolarHBondContact O-CB 3.28Å; D14-F18 PolarHBondContact O-N 3.13Å; F18-G22 WeakPolarHBondContact O-CA 3.42Å; F18-G22 PolarHBondContact O-N 2.92Å; F18-L23 HydrophobicContact CD1-CG 4.36Å; F18-L23 HydrophobicContact CE1-CD1 4.07Å; F18-L23 HydrophobicContact CE1-CD2 4.01Å; F18-L23 HydrophobicContact CE1-CG 3.87Å; F18-L23 HydrophobicContact CZ-CD2 3.79Å; F18-L23 HydrophobicContact CZ-CG 4.11Å; F18-L23 PolarHBondContact O-N 3.33Å
19L85.3Confident81.4Confident21 Ų2169.3 Ų69.311%0.1140%0.397CS..Hα-helixtrans-73.3-37.4176.9-68.2169.2000112.2L15 E16 Q17 L23 R36 F39 I40 I43L15-L19 VanDerWaalsContact O-CB 3.26Å; L15-L19 WeakPolarHBondContact O-CB 3.43Å; L15-L19 WeakPolarHBondContact O-CD1 3.38Å; L15-L19 WeakPolarHBondContact O-CG 3.34Å; L15-L19 PolarHBondContact O-N 2.83Å; E16-L19 PolarHBondContact O-N 3.34Å; Q17-L19 VanDerWaalsContact C-N 3.34Å; Q17-L19 PolarHBondContact O-N 3.39Å; L19-L23 HydrophobicContact CD2-CD1 3.85Å; L19-R36 HydrophobicContact CD2-CG 4.42Å; L19-R36 PolarHBondContact O-NE 2.97Å; L19-R36 PolarHBondContact O-NH2 2.97Å; L19-F39 HydrophobicContact CD1-CB 4.1Å; L19-F39 HydrophobicContact CD1-CD1 3.58Å; L19-F39 HydrophobicContact CD1-CE1 4.43Å; L19-F39 HydrophobicContact CD1-CG 4.18Å; L19-I40 HydrophobicContact CB-CD1 4.15Å; L19-I40 HydrophobicContact CB-CG1 3.8Å; L19-I40 HydrophobicContact CD1-CG1 4.44Å; L19-I43 HydrophobicContact CD1-CD1 3.61Å
20C78.7Confident81.5Confident35 Ų3576.2 Ų76.224%0.23643%0.425CS..Hα-helixtrans-77.9-40.6-176.4-76.80000112.8E16 Q17 K24 R36E16-C20 WeakPolarHBondContact O-CB 3.31Å; E16-C20 PolarHBondContact O-N 2.71Å; E16-C20 PolarHBondContact O-SG 3.41Å; E16-C20 VanDerWaalsContact O-SG 3.32Å; Q17-C20 PolarHBondContact O-N 2.93Å; C20-K24 WeakPolarHBondContact O-CB 3.49Å; C20-K24 WeakPolarHBondContact O-CD 3.31Å; C20-K24 WeakPolarHBondContact O-CG 3.19Å; C20-R36 PolarHBondContact O-NH2 3.1Å
21D77.7Confident81.8Confident69 Ų6979.6 Ų79.637%0.36943%0.434SS..THydrogen-bonded Turntrans-117.1-45.9-173.9-63.1-45.5000114.2Q17 L23 K24Q17-D21 PolarHBondContact NE2-OD2 2.92Å; Q17-D21 PolarHBondContact O-N 3.05Å; D21-L23 PolarHBondContact O-N 3.28Å; D21-K24 WeakPolarHBondContact O-CB 3.44Å; D21-K24 PolarHBondContact O-N 3.4Å; D21-K24 IonicContact OD1-NZ 2.75Å; D21-K24 PolarHBondContact OD1-NZ 3.23Å
22G78.6Confident81.8Confident37 Ų3776.8 Ų76.838%0.38142%0.424SS..G310 helixtrans-56.1-53.3178.700000112Q17 F18 K24Q17-G22 PolarHBondContact O-N 2.75Å; F18-G22 WeakPolarHBondContact O-CA 3.42Å; F18-G22 PolarHBondContact O-N 2.92Å; G22-K24 PolarHBondContact O-N 2.87Å
23L78.7Confident81.6Confident25 Ų2580 Ų8013%0.13144%0.437CS..G310 helixtrans-78.910.7176-64.5-167.3000114.8F18 L19 D21 E26 L28 R36F18-L23 HydrophobicContact CD1-CG 4.36Å; F18-L23 HydrophobicContact CE1-CD1 4.07Å; F18-L23 HydrophobicContact CE1-CD2 4.01Å; F18-L23 HydrophobicContact CE1-CG 3.87Å; F18-L23 HydrophobicContact CZ-CD2 3.79Å; F18-L23 HydrophobicContact CZ-CG 4.11Å; F18-L23 PolarHBondContact O-N 3.33Å; L19-L23 HydrophobicContact CD2-CD1 3.85Å; D21-L23 PolarHBondContact O-N 3.28Å; L23-E26 WeakPolarHBondContact CD2-OE2 3.05Å; L23-L28 HydrophobicContact CB-CD1 4.04Å; L23-L28 HydrophobicContact CD1-CD1 4.3Å; L23-R36 PolarHBondContact O-NH1 2.77Å; L23-R36 VanDerWaalsContact O-NH1 3.09Å
24K69.4Low81.8Confident131 Ų13181.7 Ų81.757%0.5744%0.44SS*.G310 helixtrans-84.4-39.1-178.4-153.8-173.4-144.3158.40112.4C20 D21 G22C20-K24 WeakPolarHBondContact O-CB 3.49Å; C20-K24 WeakPolarHBondContact O-CD 3.31Å; C20-K24 WeakPolarHBondContact O-CG 3.19Å; D21-K24 WeakPolarHBondContact O-CB 3.44Å; D21-K24 PolarHBondContact O-N 3.4Å; D21-K24 IonicContact OD1-NZ 2.75Å; D21-K24 PolarHBondContact OD1-NZ 3.23Å; G22-K24 PolarHBondContact O-N 2.87Å
25A69.1Low81.9Confident100 Ų10085.1 Ų85.183%0.82645%0.446SS*.SBendtrans-85.4-15.8179.600000113.3
26E78.1Confident82Confident106 Ų10684 Ų8450%0.49544%0.436SS..SBendtrans-77.2146.3-176.7-67.4-166.7173.900114.1L23 L28L23-E26 WeakPolarHBondContact CD2-OE2 3.05Å; E26-L28 HydrophobicContact CB-CD2 4.48Å; E26-L28 HydrophobicContact CB-CG 4.26Å; E26-L28 PolarHBondContact O-N 2.96Å
27S81.9Confident81.9Confident128 Ų12888.5 Ų88.590%0.89546%0.458SS*.  trans-77.249.8179.748.90000113.4
28L82.8Confident82.2Confident38 Ų3886.1 Ų86.120%0.19945%0.452CS..  trans-58.7138-178-68.4-177000113.6L23 E26 A32 K33L23-L28 HydrophobicContact CB-CD1 4.04Å; L23-L28 HydrophobicContact CD1-CD1 4.3Å; E26-L28 HydrophobicContact CB-CD2 4.48Å; E26-L28 HydrophobicContact CB-CG 4.26Å; E26-L28 PolarHBondContact O-N 2.96Å; L28-A32 HydrophobicContact CB-CB 4.15Å; L28-A32 HydrophobicContact CD2-CB 4.23Å; L28-K33 HydrophobicContact CB-CG 3.78Å; L28-K33 VanDerWaalsContact O-CE 3.26Å; L28-K33 WeakPolarHBondContact O-CE 3.4Å
29S88.4Confident82.3Confident78 Ų7885.4 Ų85.455%0.54545%0.449SS..  trans-59.8154169.673.80000112.1K31 A32 K33S29-K31 VanDerWaalsContact C-N 3.29Å; S29-K31 PolarHBondContact O-N 3.21Å; S29-A32 WeakPolarHBondContact O-CA 3.39Å; S29-A32 WeakPolarHBondContact O-CB 3.33Å; S29-A32 PolarHBondContact O-N 3.38Å; S29-A32 PolarHBondContact OG-N 2.95Å; S29-K33 PolarHBondContact O-N 2.82Å
30K82.8Confident82.4Confident160 Ų16085.9 Ų85.970%0.69645%0.451SS*.Hα-helixtrans-50.5-47.4-179.2-164.4-173.3-173.1-103.80112.6A32 K33 E34K30-A32 VanDerWaalsContact C-N 3.26Å; K30-A32 PolarHBondContact O-N 2.78Å; K30-K33 PolarHBondContact O-N 3.43Å; K30-K33 VanDerWaalsContact O-N 3.12Å; K30-E34 WeakPolarHBondContact CE-OE1 3.3Å; K30-E34 WeakPolarHBondContact CG-OE1 3.45Å; K30-E34 IonicContact NZ-OE1 2.61Å; K30-E34 PolarHBondContact NZ-OE1 3.1Å; K30-E34 WeakPolarHBondContact O-CG 3.5Å; K30-E34 PolarHBondContact O-N 2.8Å
31K87.1Confident82.8Confident141 Ų14190.5 Ų90.561%0.61347%0.467SS*.Hα-helixtrans-65.2-24.8178.1-169.5174.1-170.7176.40113.8S29 R35S29-K31 VanDerWaalsContact C-N 3.29Å; S29-K31 PolarHBondContact O-N 3.21Å; K31-R35 WeakPolarHBondContact O-CB 3.32Å; K31-R35 WeakPolarHBondContact O-CD 3.48Å; K31-R35 VanDerWaalsContact O-CG 3.26Å; K31-R35 WeakPolarHBondContact O-CG 3.26Å; K31-R35 PolarHBondContact O-N 3.17Å
32A85.1Confident83.2Confident32 Ų3294.4 Ų94.426%0.26448%0.477SS..Hα-helixtrans-79.9-37.1172.400000111.7L28 S29 K30 R35 R36L28-A32 HydrophobicContact CB-CB 4.15Å; L28-A32 HydrophobicContact CD2-CB 4.23Å; S29-A32 WeakPolarHBondContact O-CA 3.39Å; S29-A32 WeakPolarHBondContact O-CB 3.33Å; S29-A32 PolarHBondContact O-N 3.38Å; S29-A32 PolarHBondContact OG-N 2.95Å; K30-A32 VanDerWaalsContact C-N 3.26Å; K30-A32 PolarHBondContact O-N 2.78Å; A32-R35 PolarHBondContact O-N 3.03Å; A32-R36 VanDerWaalsContact O-CB 3.28Å; A32-R36 WeakPolarHBondContact O-CB 3.36Å; A32-R36 PolarHBondContact O-N 2.78Å
33K82Confident83.7Confident93 Ų9393.1 Ų93.140%0.40446%0.461SS..Hα-helixtrans-64-48.7173.3-64.7-174.4174.2-176.10112L28 S29 K30 R35 R36 E37L28-K33 HydrophobicContact CB-CG 3.78Å; L28-K33 VanDerWaalsContact O-CE 3.26Å; L28-K33 WeakPolarHBondContact O-CE 3.4Å; S29-K33 PolarHBondContact O-N 2.82Å; K30-K33 PolarHBondContact O-N 3.43Å; K30-K33 VanDerWaalsContact O-N 3.12Å; K33-R35 VanDerWaalsContact C-N 3.27Å; K33-R35 PolarHBondContact O-N 3.25Å; K33-R36 WeakPolarHBondContact O-CB 3.39Å; K33-R36 PolarHBondContact O-N 2.93Å; K33-R36 VanDerWaalsContact O-N 3.11Å; K33-E37 WeakPolarHBondContact O-CG 3.37Å; K33-E37 PolarHBondContact O-N 3.24Å
34E85.7Confident83.9Confident79 Ų7997.3 Ų97.337%0.36948%0.478SS..Hα-helixtrans-56.6-39.9174.8-68161.8174.100111.9K30 T38K30-E34 WeakPolarHBondContact CE-OE1 3.3Å; K30-E34 WeakPolarHBondContact CG-OE1 3.45Å; K30-E34 IonicContact NZ-OE1 2.61Å; K30-E34 PolarHBondContact NZ-OE1 3.1Å; K30-E34 WeakPolarHBondContact O-CG 3.5Å; K30-E34 PolarHBondContact O-N 2.8Å; E34-T38 WeakPolarHBondContact O-CB 3.03Å; E34-T38 PolarHBondContact O-N 2.79Å; E34-T38 VanDerWaalsContact O-N 3.1Å; E34-T38 PolarHBondContact O-OG1 2.84Å
35R87.7Confident84.5Confident173 Ų17394.9 Ų94.965%0.65347%0.469SS*.Hα-helixtrans-69.5-41.9175.2-81177.7165.9-158.8-7113.2K31 A32 K33 T38 F39K31-R35 WeakPolarHBondContact O-CB 3.32Å; K31-R35 WeakPolarHBondContact O-CD 3.48Å; K31-R35 VanDerWaalsContact O-CG 3.26Å; K31-R35 WeakPolarHBondContact O-CG 3.26Å; K31-R35 PolarHBondContact O-N 3.17Å; A32-R35 PolarHBondContact O-N 3.03Å; K33-R35 VanDerWaalsContact C-N 3.27Å; K33-R35 PolarHBondContact O-N 3.25Å; R35-T38 WeakPolarHBondContact O-CB 3.48Å; R35-T38 PolarHBondContact O-N 2.87Å; R35-F39 WeakPolarHBondContact O-CB 3.36Å; R35-F39 PolarHBondContact O-N 2.89Å
36R86.5Confident85.1Confident43 Ų4392.9 Ų92.916%0.16245%0.446CS..Hα-helixtrans-58.9-49.6176173.1-170.2177.8-143.9-7.6110.8L19 C20 L23 A32 K33 T38 F39 I40L19-R36 HydrophobicContact CD2-CG 4.42Å; L19-R36 PolarHBondContact O-NE 2.97Å; L19-R36 PolarHBondContact O-NH2 2.97Å; C20-R36 PolarHBondContact O-NH2 3.1Å; L23-R36 PolarHBondContact O-NH1 2.77Å; L23-R36 VanDerWaalsContact O-NH1 3.09Å; A32-R36 VanDerWaalsContact O-CB 3.28Å; A32-R36 WeakPolarHBondContact O-CB 3.36Å; A32-R36 PolarHBondContact O-N 2.78Å; K33-R36 WeakPolarHBondContact O-CB 3.39Å; K33-R36 PolarHBondContact O-N 2.93Å; K33-R36 VanDerWaalsContact O-N 3.11Å; R36-T38 PolarHBondContact O-N 2.99Å; R36-F39 PolarHBondContact O-N 2.84Å; R36-F39 VanDerWaalsContact O-N 3.12Å; R36-I40 HydrophobicContact CG-CD1 4Å; R36-I40 WeakPolarHBondContact O-CG1 3.36Å; R36-I40 PolarHBondContact O-N 3.08Å
37E84.9Confident85.2Confident124 Ų12490.1 Ų90.158%0.57943%0.432SS*.Hα-helixtrans-59.4-45.4175.8-70.9159.8-165.100111.8K33 F39 I40 K41K33-E37 WeakPolarHBondContact O-CG 3.37Å; K33-E37 PolarHBondContact O-N 3.24Å; E37-F39 VanDerWaalsContact C-N 3.26Å; E37-F39 PolarHBondContact O-N 3.33Å; E37-I40 PolarHBondContact O-N 3.17Å; E37-K41 PolarHBondContact O-N 3.31Å
38T89.8Confident84.9Confident73 Ų7390.5 Ų90.545%0.44842%0.423SS..Hα-helixtrans-59.2-36.3174.6-56.30000112.4E34 R35 R36 R42E34-T38 WeakPolarHBondContact O-CB 3.03Å; E34-T38 PolarHBondContact O-N 2.79Å; E34-T38 VanDerWaalsContact O-N 3.1Å; E34-T38 PolarHBondContact O-OG1 2.84Å; R35-T38 WeakPolarHBondContact O-CB 3.48Å; R35-T38 PolarHBondContact O-N 2.87Å; R36-T38 PolarHBondContact O-N 2.99Å; T38-R42 PolarHBondContact O-N 3.33Å
39F88.9Confident84.6Confident108 Ų10892.6 Ų92.647%0.47444%0.441SS..Hα-helixtrans-76.5-41.1-179-141.8-81.2000112L15 L19 R35 R36 E37 K41 R42 I43L15-F39 HydrophobicContact CD2-CE1 4.09Å; L19-F39 HydrophobicContact CD1-CB 4.1Å; L19-F39 HydrophobicContact CD1-CD1 3.58Å; L19-F39 HydrophobicContact CD1-CE1 4.43Å; L19-F39 HydrophobicContact CD1-CG 4.18Å; R35-F39 WeakPolarHBondContact O-CB 3.36Å; R35-F39 PolarHBondContact O-N 2.89Å; R36-F39 PolarHBondContact O-N 2.84Å; R36-F39 VanDerWaalsContact O-N 3.12Å; E37-F39 VanDerWaalsContact C-N 3.26Å; E37-F39 PolarHBondContact O-N 3.33Å; F39-K41 VanDerWaalsContact C-N 3.34Å; F39-K41 PolarHBondContact O-N 3.21Å; F39-R42 PolarHBondContact O-N 3.12Å; F39-I43 HydrophobicContact CD1-CD1 3.96Å; F39-I43 HydrophobicContact CD1-CG1 4.32Å; F39-I43 HydrophobicContact CE1-CD1 4.36Å; F39-I43 WeakPolarHBondContact O-CG1 3.45Å; F39-I43 PolarHBondContact O-N 3.2Å
40I86.4Confident83.9Confident30 Ų3092.6 Ų92.615%0.15443%0.432CS..Hα-helixtrans-59.7-44.6172.7-66.5164.5000110.1L19 R36 E37 R42 I43 K44L19-I40 HydrophobicContact CB-CD1 4.15Å; L19-I40 HydrophobicContact CB-CG1 3.8Å; L19-I40 HydrophobicContact CD1-CG1 4.44Å; R36-I40 HydrophobicContact CG-CD1 4Å; R36-I40 WeakPolarHBondContact O-CG1 3.36Å; R36-I40 PolarHBondContact O-N 3.08Å; E37-I40 PolarHBondContact O-N 3.17Å; I40-R42 VanDerWaalsContact C-N 3.33Å; I40-R42 PolarHBondContact O-N 3.42Å; I40-I43 PolarHBondContact O-N 3.41Å; I40-K44 PolarHBondContact O-N 2.87Å; I40-K44 VanDerWaalsContact O-N 3.09Å
41K87.8Confident83Confident133 Ų13387.9 Ų87.958%0.57842%0.417SS*.Hα-helixtrans-57.3-45.5176.2-167.7-180-171-97.90111.8E37 F39 I43 K44 E45E37-K41 PolarHBondContact O-N 3.31Å; F39-K41 VanDerWaalsContact C-N 3.34Å; F39-K41 PolarHBondContact O-N 3.21Å; K41-I43 PolarHBondContact O-N 3.21Å; K41-K44 PolarHBondContact O-N 3.02Å; K41-E45 IonicContact NZ-OE1 2.69Å; K41-E45 PolarHBondContact NZ-OE1 3.04Å; K41-E45 WeakPolarHBondContact O-CG 3.33Å; K41-E45 PolarHBondContact O-N 3.06Å
42R86.6Confident81.9Confident151 Ų15188.2 Ų88.257%0.5742%0.421SS*.Hα-helixtrans-64.7-35.9177.3-79.6-171176.1125.41.9113.8T38 F39 I40 K44 E45 V46T38-R42 PolarHBondContact O-N 3.33Å; F39-R42 PolarHBondContact O-N 3.12Å; I40-R42 VanDerWaalsContact C-N 3.33Å; I40-R42 PolarHBondContact O-N 3.42Å; R42-K44 VanDerWaalsContact C-N 3.31Å; R42-E45 PolarHBondContact O-N 3.13Å; R42-V46 WeakPolarHBondContact O-CB 3.47Å; R42-V46 VanDerWaalsContact O-CG2 3.32Å; R42-V46 WeakPolarHBondContact O-CG2 3.4Å; R42-V46 PolarHBondContact O-N 3.43Å
43I87.3Confident81.1Confident10 Ų1088.9 Ų88.95%0.05142%0.42CS..Hα-helixtrans-62.9-41.8174.6-72.1167.3000110.3I12 L15 E16 L19 F39 I40 K41 V46 K47I12-I43 HydrophobicContact CG2-CG2 3.78Å; L15-I43 HydrophobicContact CB-CD1 4.15Å; E16-I43 HydrophobicContact CB-CG2 4.05Å; E16-I43 HydrophobicContact CG-CG2 4.21Å; L19-I43 HydrophobicContact CD1-CD1 3.61Å; F39-I43 HydrophobicContact CD1-CD1 3.96Å; F39-I43 HydrophobicContact CD1-CG1 4.32Å; F39-I43 HydrophobicContact CE1-CD1 4.36Å; F39-I43 WeakPolarHBondContact O-CG1 3.45Å; F39-I43 PolarHBondContact O-N 3.2Å; I40-I43 PolarHBondContact O-N 3.41Å; K41-I43 PolarHBondContact O-N 3.21Å; I43-V46 PolarHBondContact O-N 3.08Å; I43-K47 HydrophobicContact CG2-CD 4.45Å; I43-K47 PolarHBondContact O-N 3.08Å
44K83.3Confident80.2Confident112 Ų11286.7 Ų86.749%0.48741%0.411SS..Hα-helixtrans-66.3-42.7175.6-63.9-168.3176.1-1530112.8E16 I40 K41 R42 V46 K47 L48E16-K44 WeakPolarHBondContact OE1-CE 3.3Å; I40-K44 PolarHBondContact O-N 2.87Å; I40-K44 VanDerWaalsContact O-N 3.09Å; K41-K44 PolarHBondContact O-N 3.02Å; R42-K44 VanDerWaalsContact C-N 3.31Å; K44-V46 VanDerWaalsContact C-N 3.26Å; K44-V46 PolarHBondContact O-N 2.53Å; K44-K47 PolarHBondContact O-N 3.09Å; K44-L48 WeakPolarHBondContact O-CB 3.24Å; K44-L48 VanDerWaalsContact O-CG 3.31Å; K44-L48 WeakPolarHBondContact O-CG 3.19Å; K44-L48 PolarHBondContact O-N 3.28Å
45E81.6Confident78.9Confident81 Ų8188.5 Ų88.538%0.37942%0.418SS..Hα-helixtrans-57.4-38.4172-70165.4172.500111.9K41 R42 S49K41-E45 IonicContact NZ-OE1 2.69Å; K41-E45 PolarHBondContact NZ-OE1 3.04Å; K41-E45 WeakPolarHBondContact O-CG 3.33Å; K41-E45 PolarHBondContact O-N 3.06Å; R42-E45 PolarHBondContact O-N 3.13Å; E45-S49 PolarHBondContact O-N 3.18Å; E45-S49 VanDerWaalsContact O-N 3.17Å; E45-S49 PolarHBondContact O-OG 2.96Å
46V82.3Confident77Confident57 Ų5786.8 Ų86.835%0.34542%0.421SS..Hα-helixtrans-71.6-43.1175.4169.40000112.2I12 R42 I43 K44 S49 F50I12-V46 HydrophobicContact CD1-CG1 4.14Å; R42-V46 WeakPolarHBondContact O-CB 3.47Å; R42-V46 VanDerWaalsContact O-CG2 3.32Å; R42-V46 WeakPolarHBondContact O-CG2 3.4Å; R42-V46 PolarHBondContact O-N 3.43Å; I43-V46 PolarHBondContact O-N 3.08Å; K44-V46 VanDerWaalsContact C-N 3.26Å; K44-V46 PolarHBondContact O-N 2.53Å; V46-S49 WeakPolarHBondContact O-CB 3.01Å; V46-S49 PolarHBondContact O-N 3.36Å; V46-S49 VanDerWaalsContact O-N 3.11Å; V46-F50 PolarHBondContact O-N 2.95Å
47K79.7Confident75.2Confident48 Ų4891.8 Ų91.821%0.20944%0.444CS..Hα-helixtrans-61.3-45.4176.5-75.8-173.5169.1-177.40111.8I12 S13 E16 I43 K44 S49 F50 F54I12-K47 HydrophobicContact CG2-CG 4.41Å; S13-K47 PolarHBondContact OG-NZ 3.02Å; E16-K47 WeakPolarHBondContact OE2-CE 3.44Å; E16-K47 IonicContact OE2-NZ 2.76Å; E16-K47 PolarHBondContact OE2-NZ 3.12Å; I43-K47 HydrophobicContact CG2-CD 4.45Å; I43-K47 PolarHBondContact O-N 3.08Å; K44-K47 PolarHBondContact O-N 3.09Å; K47-S49 PolarHBondContact O-N 3.5Å; K47-F50 CarbonylContact O-C 3.36Å; K47-F50 PolarHBondContact O-N 2.96Å; K47-F50 VanDerWaalsContact O-N 3.07Å; K47-F54 HydrophobicContact CB-CD2 4.27Å; K47-F54 HydrophobicContact CB-CE2 4.49Å; K47-F54 HydrophobicContact CB-CG 4.49Å; K47-F54 HydrophobicContact CD-CD1 4.23Å; K47-F54 HydrophobicContact CD-CE1 4.36Å; K47-F54 HydrophobicContact CG-CD1 3.97Å; K47-F54 HydrophobicContact CG-CD2 3.99Å; K47-F54 HydrophobicContact CG-CE1 3.92Å; K47-F54 HydrophobicContact CG-CE2 3.96Å; K47-F54 HydrophobicContact CG-CG 4.01Å; K47-F54 HydrophobicContact CG-CZ 3.93Å
48L76.1Confident72.9Confident136 Ų13691.8 Ų91.871%0.71245%0.453SS*.Hα-helixtrans-62.6-24.3173.9-69.8167.5000113.4K44 F50K44-L48 WeakPolarHBondContact O-CB 3.24Å; K44-L48 VanDerWaalsContact O-CG 3.31Å; K44-L48 WeakPolarHBondContact O-CG 3.19Å; K44-L48 PolarHBondContact O-N 3.28Å; L48-F50 VanDerWaalsContact C-N 3.31Å
49S76.2Confident70.4Confident82 Ų8292.9 Ų92.957%0.57348%0.478SS*.THydrogen-bonded Turntrans-78.2-13.6175.4-59.40000113.7E45 V46 K47E45-S49 PolarHBondContact O-N 3.18Å; E45-S49 VanDerWaalsContact O-N 3.17Å; E45-S49 PolarHBondContact O-OG 2.96Å; V46-S49 WeakPolarHBondContact O-CB 3.01Å; V46-S49 PolarHBondContact O-N 3.36Å; V46-S49 VanDerWaalsContact O-N 3.11Å; K47-S49 PolarHBondContact O-N 3.5Å
50F74Confident68.1Low78 Ų7890.1 Ų90.134%0.34248%0.48SS..  trans-142.450.7-174.9-65.2-91.1000112.4I4 V46 K47 L48 Q52 D53 F54I4-F50 HydrophobicContact CD1-CB 3.79Å; I4-F50 HydrophobicContact CD1-CD1 3.64Å; I4-F50 HydrophobicContact CD1-CD2 3.61Å; I4-F50 HydrophobicContact CD1-CE1 4.08Å; I4-F50 HydrophobicContact CD1-CE2 4.06Å; I4-F50 HydrophobicContact CD1-CG 3.39Å; I4-F50 HydrophobicContact CD1-CZ 4.28Å; I4-F50 HydrophobicContact CG1-CD1 3.79Å; I4-F50 HydrophobicContact CG1-CE1 4.08Å; I4-F50 HydrophobicContact CG1-CG 4.09Å; V46-F50 PolarHBondContact O-N 2.95Å; K47-F50 CarbonylContact O-C 3.36Å; K47-F50 PolarHBondContact O-N 2.96Å; K47-F50 VanDerWaalsContact O-N 3.07Å; L48-F50 VanDerWaalsContact C-N 3.31Å; F50-Q52 VanDerWaalsContact C-N 3.25Å; F50-Q52 PolarHBondContact O-N 2.86Å; F50-Q52 VanDerWaalsContact O-N 3.14Å; F50-D53 HydrophobicContact CB-CB 4.36Å; F50-D53 PolarHBondContact O-N 3.39Å; F50-F54 HydrophobicContact CB-CD2 4.24Å; F50-F54 HydrophobicContact CB-CE2 4.31Å; F50-F54 WeakPolarHBondContact O-CD2 3.44Å; F50-F54 PolarHBondContact O-N 2.84Å
51P65.2Low66.2Low61 Ų6196.4 Ų96.440%0.39651%0.514SS..Hα-helixtrans-59.1-35.1-168.923.6-34.3000113.2D53 F54 K55P51-D53 PolarHBondContact O-N 3.09Å; P51-F54 PolarHBondContact O-N 2.82Å; P51-K55 PolarHBondContact O-N 2.95Å
52Q63.1Low63.8Low149 Ų14997.6 Ų97.670%0.69653%0.527SS*.Hα-helixtrans-62.9-39.3177.6-60.1-69.8-57.700112.6F50 F54F50-Q52 VanDerWaalsContact C-N 3.25Å; F50-Q52 PolarHBondContact O-N 2.86Å; F50-Q52 VanDerWaalsContact O-N 3.14Å; Q52-F54 PolarHBondContact O-N 3.24Å
53D67.8Low61.2Low46 Ų4696.1 Ų96.125%0.24654%0.539CS..Hα-helixtrans-75.4-10.8179.4-63.8-40.6000112.4A3 I4 T9 F50 P51A3-D53 WeakPolarHBondContact CB-OD1 3.13Å; I4-D53 HydrophobicContact CB-CB 4.15Å; I4-D53 WeakPolarHBondContact CG1-OD2 3.48Å; I4-D53 PolarHBondContact N-OD2 3.39Å; T9-D53 HydrophobicContact CG2-CB 4.14Å; T9-D53 WeakPolarHBondContact CG2-O 3.5Å; F50-D53 HydrophobicContact CB-CB 4.36Å; F50-D53 PolarHBondContact O-N 3.39Å; P51-D53 PolarHBondContact O-N 3.09Å
54F63.9Low58.7Low47 Ų47102.8 Ų102.821%0.20658%0.575CS.*Hα-helixtrans-114.1-13.1-177.4-77.2-76000115.4I4 T9 I12 K47 F50 P51 Q52I4-F54 HydrophobicContact CD1-CE2 4.31Å; T9-F54 HydrophobicContact CG2-CD1 4.41Å; T9-F54 HydrophobicContact CG2-CE1 4.04Å; T9-F54 HydrophobicContact CG2-CE2 4.31Å; T9-F54 HydrophobicContact CG2-CZ 3.98Å; I12-F54 HydrophobicContact CB-CE1 4.19Å; I12-F54 HydrophobicContact CB-CZ 4.08Å; I12-F54 HydrophobicContact CD1-CZ 3.97Å; I12-F54 HydrophobicContact CG2-CE1 3.99Å; I12-F54 HydrophobicContact CG2-CZ 3.83Å; K47-F54 HydrophobicContact CB-CD2 4.27Å; K47-F54 HydrophobicContact CB-CE2 4.49Å; K47-F54 HydrophobicContact CB-CG 4.49Å; K47-F54 HydrophobicContact CD-CD1 4.23Å; K47-F54 HydrophobicContact CD-CE1 4.36Å; K47-F54 HydrophobicContact CG-CD1 3.97Å; K47-F54 HydrophobicContact CG-CD2 3.99Å; K47-F54 HydrophobicContact CG-CE1 3.92Å; K47-F54 HydrophobicContact CG-CE2 3.96Å; K47-F54 HydrophobicContact CG-CG 4.01Å; K47-F54 HydrophobicContact CG-CZ 3.93Å; F50-F54 HydrophobicContact CB-CD2 4.24Å; F50-F54 HydrophobicContact CB-CE2 4.31Å; F50-F54 WeakPolarHBondContact O-CD2 3.44Å; F50-F54 PolarHBondContact O-N 2.84Å; P51-F54 PolarHBondContact O-N 2.82Å; Q52-F54 PolarHBondContact O-N 3.24Å
55K57.5Low56.3Low117 Ų117106.3 Ų106.351%0.50959%0.593SS.*Hα-helixtrans-78.8-36.4174.1-75.6-164.2176.9-160.60113.2P51 K57 D66P51-K55 PolarHBondContact O-N 2.95Å; K55-K57 PolarHBondContact O-N 3.05Å; K55-D66 WeakPolarHBondContact CE-OD2 3.46Å; K55-D66 IonicContact NZ-OD2 3.43Å; K55-D66 PolarHBondContact NZ-OD2 3.4Å
56D48.3Very low54Low137 Ų137107.5 Ų107.573%0.73360%0.603SS**THydrogen-bonded Turntrans-81.976.3-173-82.8-38.7000114.7
57K49.1Very low52Low147 Ų147113.2 Ų113.264%0.63963%0.625SS**THydrogen-bonded Turntrans-161.514.4152.3-114.8154.5-152.21600119.4D6 K55D6-K57 IonicContact OD2-NZ 2.64Å; D6-K57 PolarHBondContact OD2-NZ 3.26Å; K55-K57 PolarHBondContact O-N 3.05Å
58V36.8Very low49.8Very low125 Ų125118 Ų11876%0.75865%0.648SS**  trans-11387.4166-173.90000109.7G60V58-G60 WeakPolarHBondContact CG1-O 3.11Å; V58-G60 PolarHBondContact O-N 2.72Å
59G36.6Very low47.6Very low96 Ų96118.7 Ų118.799%0.9966%0.658SS**  trans-74.370.1165.800000110.3
60G39.9Very low45.4Very low49 Ų49121.3 Ų121.351%0.50567%0.665SS.*SBendtrans173.878.7-172.100000113.6V58V58-G60 WeakPolarHBondContact CG1-O 3.11Å; V58-G60 PolarHBondContact O-N 2.72Å
61D46.3Very low43.6Very low162 Ų162121.4 Ų121.487%0.86668%0.676SS**SBendtrans55.777.5149.5-149.739.1000117.6
62D37.6Very low42.1Very low158 Ų158125.8 Ų125.885%0.84570%0.696SS**  trans-164.3130.9142.4-107.6-33.8000109.2
63S33Very low40.6Very low120 Ų120126.4 Ų126.484%0.83970%0.704SS**  trans-115.575.4-177.1-71.10000111.7E65S63-E65 PolarHBondContact O-N 2.8Å
64D33.9Very low39Very low150 Ų150131.3 Ų131.380%0.80273%0.73SS**  trans-77.2111.4159.2-79.9-35.4000109.2
65E34.4Very low37.6Very low186 Ų186132.4 Ų132.487%0.86976%0.755SS**  trans-91.2130.8160.6-70.1-163.1125.300109.7S63S63-E65 PolarHBondContact O-N 2.8Å
66D32.1Very low36.2Very low107 Ų107130.8 Ų130.857%0.57277%0.772SS**  trans-65.8163.3173.1-48.5-97.2000110K55K55-D66 WeakPolarHBondContact CE-OD2 3.46Å; K55-D66 IonicContact NZ-OD2 3.43Å; K55-D66 PolarHBondContact NZ-OD2 3.4Å
67E39.8Very low35.9Very low177 Ų177129.6 Ų129.683%0.82777%0.774SS**  161.416396.2-82.3-164.8-179.800106.3
68E33.3Very low35.5Very low148 Ų148130.5 Ų130.569%0.69278%0.782SS**  cis-160.3151.6-19.6-98.1-110.1123.700104.8
69V30.1Very low35.8Very low150 Ų150133.2 Ų133.291%0.90979%0.786SS**  trans-140.890.1166-78.90000111.4
70D30.4Very low35.7Very low137 Ų137133.2 Ų133.273%0.73377%0.771SS**  trans-88.9145.2-179.2-165.712.4000113.6
71S36.3Very low35.9Very low80 Ų80139.3 Ų139.356%0.55979%0.786SS**  trans48.897.1154.3-71.80000122
72N34.6Very low35.3Very low154 Ų154142.6 Ų142.682%0.82479%0.787SS**  34.7122.2120-51-64.7000120
73N30.8Very low35.3Very low161 Ų161141.1 Ų141.186%0.86178%0.784SS**  -161.5163.5107.3-155.825.8000114.6
74D33.9Very low35.7Very low150 Ų150139.6 Ų139.680%0.80277%0.766SS**  trans-26.9155.5176.5-149.4-6.6000121.9
75G35.2Very low35.8Very low70 Ų70139.7 Ų139.772%0.72276%0.759SS**  trans95.991.7143.800000119.6
76G28.5Very low36.3Very low83 Ų83136 Ų13686%0.85675%0.746SS**  trans159.3129.8157.900000117.9
77S41.2Very low36.9Very low111 Ų111138.4 Ų138.478%0.77675%0.753SS**  trans-78.2148.6178.4-163.30000114.1
78M40.4Very low37.2Very low167 Ų167134.1 Ų134.182%0.82373%0.733SS**SBendtrans77.7143160.2-39.2-15485.900120.2
79H43.6Very low37.3Very low181 Ų181131.3 Ų131.384%0.83874%0.744SS**  trans31.9112163-87.6-66.3000121.3
80S34.5Very low37.2Very low97 Ų97126.4 Ų126.468%0.67872%0.724SS**  trans-160128.9151.71700000106.8
81E43.6Very low37.4Very low176 Ų176129.8 Ų129.882%0.82274%0.735SS**  66.168.453.4-63.7-170.4112.900113.3
82R33.3Very low37.4Very low231 Ų231129.7 Ų129.787%0.87275%0.747SS**  trans-98120.7171.1-73.3-173.3173.5-178.5-3.9111.4D84R82-D84 PolarHBondContact O-N 3.39Å
83T38.5Very low37.8Very low127 Ų127127.1 Ų127.178%0.77974%0.737SS**  trans-8294.3176.749.10000110.7K85T83-K85 PolarHBondContact O-N 2.9Å
84D41.6Very low38.6Very low88 Ų88128.3 Ų128.347%0.47174%0.737SS.*  trans-57.3124.6151.5-20.7-89.9000107.3R82 R130 K151R82-D84 PolarHBondContact O-N 3.39Å; D84-R130 IonicContact OD2-NH2 3.97Å; D84-K151 HydrophobicContact CB-CD 4.4Å; D84-K151 VanDerWaalsContact N-NZ 3.18Å; D84-K151 PolarHBondContact O-NZ 2.88Å; D84-K151 IonicContact OD2-NZ 2.75Å; D84-K151 PolarHBondContact OD2-NZ 3.4Å
85K36.1Very low39.6Very low153 Ų153126.9 Ų126.967%0.66573%0.726SS**  trans-118.497.6174.2-179.5-156.8175.9-146.60105.7T83 E87T83-K85 PolarHBondContact O-N 2.9Å; K85-E87 IonicContact NZ-OE1 3.52Å; K85-E87 PolarHBondContact NZ-OE1 2.72Å; K85-E87 PolarHBondContact O-N 3.16Å
86D44.2Very low41Very low108 Ų108124.8 Ų124.858%0.57870%0.702SS**  trans-72.7110-177.7-61.6-87.7000109.6E88D86-E88 PolarHBondContact O-N 2.96Å
87E44.2Very low43.3Very low157 Ų157125.3 Ų125.373%0.73469%0.69SS**  trans-84.995.1176.7-66-158.1135.300111.1K85 G89K85-E87 IonicContact NZ-OE1 3.52Å; K85-E87 PolarHBondContact NZ-OE1 2.72Å; K85-E87 PolarHBondContact O-N 3.16Å; E87-G89 VanDerWaalsContact C-N 3.29Å; E87-G89 PolarHBondContact O-N 3.46Å
88E46.5Very low45.3Very low88 Ų88124.3 Ų124.341%0.41168%0.681SS.*  trans-79.577.4171.6-167.3158.9-153.500110.3D86 G90 R185D86-E88 PolarHBondContact O-N 2.96Å; E88-G90 PolarHBondContact O-N 2.6Å; E88-R185 IonicContact OE1-CZ 3.94Å; E88-R185 IonicContact OE1-NH1 3.69Å; E88-R185 PolarHBondContact OE1-NH1 3.27Å; E88-R185 IonicContact OE1-NH2 3.6Å; E88-R185 PolarHBondContact OE1-NH2 3.11Å
89G35.6Very low47.5Very low89 Ų89117.9 Ų117.992%0.91865%0.651SS**  trans-71.472.4168.600000111.9E87E87-G89 VanDerWaalsContact C-N 3.29Å; E87-G89 PolarHBondContact O-N 3.46Å
90G28.2Very low49.7Very low47 Ų47110 Ų11049%0.48562%0.617SS.*  trans-137.9132.1178.400000111.9E88 G92E88-G90 PolarHBondContact O-N 2.6Å; G90-G92 PolarHBondContact O-N 3.17Å
91E34.6Very low52.3Low207 Ų207105.7 Ų105.797%0.96759%0.587SS**THydrogen-bonded Turntrans-63.7121.3-173-64.3-175.3109.400112.9
92G36.8Very low54.5Low79 Ų79104 Ų10481%0.81458%0.579SS**THydrogen-bonded Turntrans95.3-4.7158.100000118G90 Q94G90-G92 PolarHBondContact O-N 3.17Å; G92-Q94 PolarHBondContact O-N 3.45Å
93V43.5Very low57.2Low99 Ų9998.6 Ų98.660%0.657%0.568SS**  trans-77.1121.5172-176.60000109.6Q95V93-Q95 PolarHBondContact O-N 3Å; V93-Q95 VanDerWaalsContact O-N 3.09Å
94Q46.2Very low59.6Low186 Ų18693.6 Ų93.687%0.86954%0.536SS*.  trans-74.597.3171.4-65.6-179.312.200108.9G92 A96G92-Q94 PolarHBondContact O-N 3.45Å; Q94-A96 PolarHBondContact O-N 3.27Å
95Q56.3Low61.7Low121 Ų12193.6 Ų93.657%0.56554%0.539SS*.PPolyproline II helixtrans-54.9132.5166.6-69.6177.70.100109V93V93-Q95 PolarHBondContact O-N 3Å; V93-Q95 VanDerWaalsContact O-N 3.09Å
96A63.7Low64.2Low26 Ų2688.3 Ų88.322%0.21552%0.522CS..PPolyproline II helixtrans-62.4152.8173.600000109.7Q94 Y140 E153Q94-A96 PolarHBondContact O-N 3.27Å; A96-Y140 HydrophobicContact CB-CE1 4.4Å; A96-E153 HydrophobicContact CB-CG 3.71Å; A96-E153 WeakPolarHBondContact CB-OE1 3.12Å; A96-E153 PolarHBondContact N-OE1 3.21Å
97P77.1Confident66.3Low93 Ų9385.9 Ų85.960%0.60451%0.511SS*.PPolyproline II helixtrans-54.515217224-34.2000110.8V99 Q150P97-V99 HydrophobicContact CG-CG2 4.39Å; P97-V99 PolarHBondContact O-N 3.37Å; P97-V99 VanDerWaalsContact O-N 3.08Å; P97-Q150 PolarHBondContact O-NE2 2.87Å; P97-Q150 VanDerWaalsContact O-NE2 3.09Å
98P82.3Confident68.5Low91 Ų9180.4 Ų80.459%0.59149%0.485SS*.  trans-58.9113.6170.3-25.836.2000110.7Q149P98-Q149 HydrophobicContact CB-CB 4.39Å; P98-Q149 HydrophobicContact CB-CG 3.93Å
99V88.4Confident70.7Confident32 Ų3278.2 Ų78.219%0.19447%0.474CS..  trans-119.5130.1178.1177.80000109.2P97 D103 L104 Y142 Q150P97-V99 HydrophobicContact CG-CG2 4.39Å; P97-V99 PolarHBondContact O-N 3.37Å; P97-V99 VanDerWaalsContact O-N 3.08Å; V99-D103 HydrophobicContact CG1-CB 4.25Å; V99-L104 HydrophobicContact CG1-CD2 3.76Å; V99-L104 HydrophobicContact CG1-CG 4.12Å; V99-Y142 VanDerWaalsContact O-CE1 3.24Å; V99-Y142 WeakPolarHBondContact O-CE1 3.34Å; V99-Y142 PolarHBondContact O-OH 3.07Å; V99-Q150 PolarHBondContact O-OE1 2.97Å
100A89.3Confident73.5Confident15 Ų1576.1 Ų76.112%0.12445%0.448CS..  trans-70.2148.917500000111.4Q102 D103 D147 K148A100-Q102 PolarHBondContact O-N 3.35Å; A100-D103 HydrophobicContact CB-CB 4.21Å; A100-D103 WeakPolarHBondContact CB-OD2 3.45Å; A100-D103 PolarHBondContact O-N 3.33Å; A100-D147 WeakPolarHBondContact CA-O 3.37Å; A100-K148 PolarHBondContact N-O 3.48Å
101A88.9Confident76.7Confident7 Ų774.5 Ų74.56%0.05843%0.431CS..THydrogen-bonded Turntrans-54.1-24177.800000114.1W131 Y142 D147A101-W131 HydrophobicContact CB-CE3 3.77Å; A101-W131 HydrophobicContact CB-CH2 4.05Å; A101-W131 HydrophobicContact CB-CZ3 3.44Å; A101-W131 VanDerWaalsContact CB-CZ3 3.44Å; A101-W131 WeakPolarHBondContact O-CH2 3.39Å; A101-Y142 HydrophobicContact CB-CD1 3.93Å; A101-Y142 HydrophobicContact CB-CD2 4.34Å; A101-Y142 HydrophobicContact CB-CE1 3.92Å; A101-Y142 HydrophobicContact CB-CE2 4.32Å; A101-Y142 HydrophobicContact CB-CG 4.14Å; A101-D147 PolarHBondContact N-O 2.85Å
102Q89.2Confident79.6Confident139 Ų13968.1 Ų68.165%0.6540%0.399SS*.THydrogen-bonded Turntrans-96.5-14-179.1-58.6-175.7-3.600113.7A100 E145A100-Q102 PolarHBondContact O-N 3.35Å; Q102-E145 WeakPolarHBondContact CG-O 3.5Å; Q102-E145 PolarHBondContact NE2-O 2.94Å
103D89.9Confident82.3Confident119 Ų11964.3 Ų64.364%0.63636%0.36SS*.THydrogen-bonded Turntrans-96.80.4-178.6-61.8-25.6000112.1V99 A100 T105V99-D103 HydrophobicContact CG1-CB 4.25Å; A100-D103 HydrophobicContact CB-CB 4.21Å; A100-D103 WeakPolarHBondContact CB-OD2 3.45Å; A100-D103 PolarHBondContact O-N 3.33Å; D103-T105 PolarHBondContact O-N 2.61Å
104L88.9Confident84.7Confident22 Ų2262.1 Ų62.112%0.11534%0.343CS..  trans-65.8118.8174.3-72172.5000111.1V99 V107 W131 A133 Y140 Y142V99-L104 HydrophobicContact CG1-CD2 3.76Å; V99-L104 HydrophobicContact CG1-CG 4.12Å; L104-V107 HydrophobicContact CB-CG2 3.53Å; L104-V107 HydrophobicContact CD1-CG2 4.39Å; L104-W131 HydrophobicContact CD1-CH2 4.25Å; L104-W131 HydrophobicContact CD1-CZ3 4.01Å; L104-A133 HydrophobicContact CD1-CB 3.57Å; L104-Y140 HydrophobicContact CD1-CD2 4.42Å; L104-Y140 HydrophobicContact CD2-CD1 4.33Å; L104-Y140 HydrophobicContact CD2-CD2 3.62Å; L104-Y140 HydrophobicContact CD2-CE1 4.33Å; L104-Y140 HydrophobicContact CD2-CE2 3.59Å; L104-Y140 HydrophobicContact CD2-CG 4Å; L104-Y142 HydrophobicContact CD1-CE2 3.94Å
105T87.1Confident86.9Confident87 Ų8754.9 Ų54.953%0.53431%0.309SS..  trans-82.9159.317152.40000111.4D103 V107 S135 H136D103-T105 PolarHBondContact O-N 2.61Å; T105-V107 VanDerWaalsContact C-N 3.28Å; T105-V107 PolarHBondContact O-N 3.41Å; T105-V107 VanDerWaalsContact O-N 3.12Å; T105-S135 PolarHBondContact O-OG 2.81Å; T105-H136 PolarHBondContact OG1-NE2 3.31Å
106S87.1Confident88.4Confident43 Ų4352.1 Ų52.130%0.30129%0.293SS..SBendtrans49.643.3171.7-48.30000114.9F108 H136S106-F108 PolarHBondContact O-N 2.86Å; S106-H136 PolarHBondContact O-N 2.95Å; S106-H136 PolarHBondContact OG-NE2 2.86Å
107V89.8Confident89.2Confident57 Ų5754.7 Ų54.735%0.34530%0.297SS..EExtended strand (participates in β ladder)trans-75.1109.1178.8177.20000110L104 T105 A110 A133 L134L104-V107 HydrophobicContact CB-CG2 3.53Å; L104-V107 HydrophobicContact CD1-CG2 4.39Å; T105-V107 VanDerWaalsContact C-N 3.28Å; T105-V107 PolarHBondContact O-N 3.41Å; T105-V107 VanDerWaalsContact O-N 3.12Å; V107-A110 HydrophobicContact CG1-CB 3.78Å; V107-A133 HydrophobicContact CG1-CB 4.31Å; V107-L134 CarbonylContact C-O 3.5Å; V107-L134 WeakPolarHBondContact CA-O 3.32Å
108F89.4Confident88.6Confident41 Ų4159.4 Ų59.418%0.1831%0.308CS..EExtended strand (participates in β ladder)trans-71.6-41.6177.3-65.3-61.7000112.5S106 L134 H136 Q203 V207 F324S106-F108 PolarHBondContact O-N 2.86Å; F108-L134 HydrophobicContact CB-CD2 4.41Å; F108-L134 HydrophobicContact CD2-CD2 4.4Å; F108-L134 HydrophobicContact CD2-CG 4.23Å; F108-L134 PolarHBondContact N-O 3.13Å; F108-H136 WeakPolarHBondContact CE2-O 3.07Å; F108-Q203 HydrophobicContact CB-CG 4.05Å; F108-V207 HydrophobicContact CD2-CG2 3.54Å; F108-V207 HydrophobicContact CE2-CG1 4.13Å; F108-V207 HydrophobicContact CE2-CG2 3.62Å; F108-V207 HydrophobicContact CG-CG2 4.05Å; F108-V207 HydrophobicContact CZ-CG2 4.23Å; F108-F324 AromaticContact CE1-CE1 3.92Å; F108-F324 HydrophobicContact CE1-CE1 3.92Å; F108-F324 HydrophobicContact CE1-CE2 4.18Å; F108-F324 AromaticContact CE1-CZ 3.56Å; F108-F324 HydrophobicContact CE1-CZ 3.56Å; F108-F324 AromaticContact CZ-CE1 3.64Å; F108-F324 HydrophobicContact CZ-CE1 3.64Å; F108-F324 AromaticContact CZ-CZ 3.66Å; F108-F324 HydrophobicContact CZ-CZ 3.66Å
109K92.7Very high87.4Confident42 Ų4259 Ų5918%0.18330%0.302CS..EExtended strand (participates in β ladder)trans-154136.6175.3-168.1174.9-174.175.80110A133 L134 E199 W200 Q203K109-A133 WeakPolarHBondContact O-CA 3.4Å; K109-L134 PolarHBondContact O-N 3.44Å; K109-E199 IonicContact NZ-OE2 2.72Å; K109-E199 PolarHBondContact NZ-OE2 3.27Å; K109-W200 HydrophobicContact CB-CE3 4.36Å; K109-W200 HydrophobicContact CB-CH2 4.27Å; K109-W200 HydrophobicContact CB-CZ3 4.06Å; K109-W200 HydrophobicContact CD-CD2 3.67Å; K109-W200 HydrophobicContact CD-CE3 3.87Å; K109-W200 HydrophobicContact CD-CG 4.03Å; K109-W200 HydrophobicContact CD-CZ2 4.43Å; K109-W200 HydrophobicContact CD-CZ3 4.33Å; K109-W200 HydrophobicContact CG-CD2 4.18Å; K109-W200 HydrophobicContact CG-CE3 4.18Å; K109-W200 HydrophobicContact CG-CH2 4.08Å; K109-W200 HydrophobicContact CG-CZ2 4.07Å; K109-W200 HydrophobicContact CG-CZ3 4.12Å; K109-W200 WeakPolarHBondContact O-CH2 3.29Å; K109-Q203 HydrophobicContact CB-CG 3.99Å; K109-Q203 HydrophobicContact CD-CB 4.17Å
110A94.4Very high85.6Confident45 Ų4564.8 Ų64.837%0.37233%0.326SS..EExtended strand (participates in β ladder)trans-135.7152.3171.800000111.1V107 W131 C132 A133V107-A110 HydrophobicContact CG1-CB 3.78Å; A110-W131 HydrophobicContact CB-CH2 4.05Å; A110-W131 HydrophobicContact CB-CZ2 3.53Å; A110-C132 CarbonylContact C-O 3.57Å; A110-C132 WeakPolarHBondContact CA-O 3.3Å; A110-A133 HydrophobicContact CB-CB 3.86Å
111G94.8Very high83.3Confident14 Ų1465.9 Ų65.914%0.14433%0.333CS..EExtended strand (participates in β ladder)trans172.3176.1-175.200000113C132G111-C132 PolarHBondContact N-O 2.91Å; G111-C132 PolarHBondContact O-N 3.3Å
112Y95.5Very high81.1Confident72 Ų7274.2 Ų74.228%0.28237%0.368SS..EExtended strand (participates in β ladder)trans-95.8112-178.9-75.4-79.5000111.9K129 R130 W131 E145Y112-K129 VanDerWaalsContact CB-CE 3.43Å; Y112-K129 HydrophobicContact CD1-CD 4.27Å; Y112-K129 HydrophobicContact CD1-CG 4.21Å; Y112-K129 VanDerWaalsContact CG-CE 3.45Å; Y112-R130 CarbonylContact C-O 2.92Å; Y112-R130 WeakPolarHBondContact CA-O 3.12Å; Y112-W131 HydrophobicContact CD1-CB 3.91Å; Y112-W131 HydrophobicContact CD1-CG 4.49Å; Y112-W131 HydrophobicContact CE1-CB 3.65Å; Y112-W131 AromaticContact CE1-CD1 3.95Å; Y112-W131 HydrophobicContact CE1-CG 4.2Å; Y112-W131 AromaticContact CE2-CD1 3.75Å; Y112-W131 AromaticContact CZ-CD1 3.7Å; Y112-E145 WeakPolarHBondContact CE2-OE2 3.47Å; Y112-E145 VanDerWaalsContact OH-CD 3.28Å; Y112-E145 WeakPolarHBondContact OH-CG 3.46Å; Y112-E145 PolarHBondContact OH-N 3.32Å; Y112-E145 PolarHBondContact OH-OE2 2.82Å
113L94.9Very high79Confident0 Ų077.8 Ų77.80%038%0.382CS..EExtended strand (participates in β ladder)trans-108.3149.1175.7-64.6176.2000111.1K115 K129 R130 C132 F139 F177 F189 A191 W200L113-K115 PolarHBondContact O-N 3.3Å; L113-K129 WeakPolarHBondContact O-CA 3.41Å; L113-R130 PolarHBondContact N-O 2.74Å; L113-R130 PolarHBondContact O-N 2.83Å; L113-R130 VanDerWaalsContact O-O 3.11Å; L113-C132 HydrophobicContact CD1-CB 4.01Å; L113-C132 HydrophobicContact CG-CB 4.42Å; L113-F139 HydrophobicContact CD1-CZ 4.21Å; L113-F177 HydrophobicContact CD1-CE1 4.17Å; L113-F177 HydrophobicContact CD1-CZ 3.72Å; L113-F177 HydrophobicContact CD2-CE1 4.13Å; L113-F189 HydrophobicContact CB-CD1 4.1Å; L113-F189 HydrophobicContact CD1-CB 4.27Å; L113-F189 HydrophobicContact CD1-CD1 3.94Å; L113-F189 HydrophobicContact CD1-CG 4.21Å; L113-A191 HydrophobicContact CD2-CB 3.82Å; L113-W200 HydrophobicContact CD1-CD2 4.13Å; L113-W200 HydrophobicContact CD1-CZ2 4.14Å; L113-W200 HydrophobicContact CG-CZ2 4.33Å
114E93.1Very high77.2Confident52 Ų5273.7 Ų73.724%0.24337%0.367CS..EExtended strand (participates in β ladder)trans-84.2102.7163-72.1175.6176.400107.6W127 Q128 R168 K172 F189 C190E114-W127 HydrophobicContact CB-CB 4.32Å; E114-W127 HydrophobicContact CB-CE3 4.17Å; E114-W127 VanDerWaalsContact O-CE3 3.27Å; E114-W127 WeakPolarHBondContact O-CZ3 3.33Å; E114-Q128 CarbonylContact C-O 3.58Å; E114-Q128 WeakPolarHBondContact CA-O 3.32Å; E114-R168 IonicContact OE2-CZ 3.29Å; E114-R168 IonicContact OE2-NH1 2.95Å; E114-R168 PolarHBondContact OE2-NH1 2.93Å; E114-R168 IonicContact OE2-NH2 3.08Å; E114-K172 IonicContact OE1-NZ 2.94Å; E114-K172 PolarHBondContact OE1-NZ 3.33Å; E114-K172 IonicContact OE2-NZ 2.77Å; E114-K172 PolarHBondContact OE2-NZ 3.1Å; E114-F189 CarbonylContact O-C 3.5Å; E114-F189 WeakPolarHBondContact O-CA 3.31Å; E114-C190 HydrophobicContact CB-CB 4.08Å; E114-C190 PolarHBondContact N-O 2.9Å; E114-C190 PolarHBondContact O-N 2.73Å
115K92.2Very high76.1Confident34 Ų3477.6 Ų77.615%0.14839%0.392CS..EExtended strand (participates in β ladder)trans-85.3135.7174.9-178.6-178.3174.8-61.70110L113 Q128 R130 Y141 F189L113-K115 PolarHBondContact O-N 3.3Å; K115-Q128 PolarHBondContact N-O 3.07Å; K115-Q128 PolarHBondContact O-N 2.84Å; K115-R130 HydrophobicContact CB-CG 4.17Å; K115-Y141 HydrophobicContact CD-CD1 4.42Å; K115-Y141 HydrophobicContact CD-CD2 4.25Å; K115-Y141 HydrophobicContact CD-CE2 4.48Å; K115-Y141 HydrophobicContact CD-CG 4.25Å; K115-F189 HydrophobicContact CB-CD1 3.83Å; K115-F189 HydrophobicContact CB-CE1 3.78Å; K115-F189 HydrophobicContact CD-CE1 3.93Å; K115-F189 HydrophobicContact CD-CZ 4.39Å; K115-F189 HydrophobicContact CG-CD1 4.04Å; K115-F189 HydrophobicContact CG-CE1 3.66Å; K115-F189 HydrophobicContact CG-CZ 4.32Å
116R88.1Confident75.8Confident64 Ų6477.3 Ų77.324%0.24239%0.385CS..EExtended strand (participates in β ladder)trans-76.4144.5174.6-159.7175.8176.1-149.90.9111.8E126 W127 Q188R116-E126 CarbonylContact C-O 3.55Å; R116-E126 WeakPolarHBondContact CA-O 3.48Å; R116-E126 HydrophobicContact CG-CG 3.8Å; R116-E126 IonicContact CZ-OE1 2.72Å; R116-E126 VanDerWaalsContact CZ-OE1 3.22Å; R116-E126 IonicContact NE-OE1 2.67Å; R116-E126 PolarHBondContact NE-OE1 3.24Å; R116-E126 IonicContact NH2-OE1 2.69Å; R116-E126 PolarHBondContact NH2-OE1 2.78Å; R116-W127 HydrophobicContact CB-CD2 4.43Å; R116-W127 HydrophobicContact CB-CE3 4.1Å; R116-W127 HydrophobicContact CB-CH2 4.16Å; R116-W127 HydrophobicContact CB-CZ2 4.46Å; R116-W127 HydrophobicContact CB-CZ3 3.95Å; R116-W127 HydrophobicContact CG-CD2 4.5Å; R116-W127 HydrophobicContact CG-CH2 4.47Å; R116-W127 HydrophobicContact CG-CZ2 4.29Å; R116-Q188 HydrophobicContact CB-CB 3.85Å; R116-Q188 PolarHBondContact N-O 3.24Å
117R79.8Confident75.8Confident79 Ų7976.8 Ų76.830%0.29838%0.376SS..PPolyproline II helixtrans-69.9146.4167.9-82.4-166.9173.3-158.9-7111.6D119 S121 E126 Q128R117-D119 WeakPolarHBondContact CB-OD1 3.32Å; R117-D119 IonicContact NH1-OD2 2.69Å; R117-S121 PolarHBondContact NH1-OG 2.97Å; R117-E126 PolarHBondContact N-O 3.27Å; R117-Q128 HydrophobicContact CG-CG 4.42Å; R117-Q128 VanDerWaalsContact NE-CD 3.32Å
118K65.3Low75.7Confident192 Ų19276.1 Ų76.184%0.83537%0.37SS*.SBendtrans-82.6-33.2173.9-176.4-174.7175.6-170.50110.5
119D56.8Low75.9Confident84 Ų8480.3 Ų80.345%0.44939%0.388SS..SBendtrans-82.6143.3175.560.6-60.8000111.9R117 S121R117-D119 WeakPolarHBondContact CB-OD1 3.32Å; R117-D119 IonicContact NH1-OD2 2.69Å; D119-S121 PolarHBondContact O-N 3.19Å; D119-S121 WeakPolarHBondContact OD2-CB 3.44Å; D119-S121 PolarHBondContact OD2-N 3.13Å; D119-S121 PolarHBondContact OD2-OG 2.86Å
120H50.3Low76Confident152 Ų15279.9 Ų79.970%0.70439%0.385SS*.  trans-7668.2165.9-80.3-53000110.4F122H120-F122 VanDerWaalsContact O-CD2 3.23Å; H120-F122 WeakPolarHBondContact O-CD2 3.3Å; H120-F122 PolarHBondContact O-N 3.4Å
121S41.7Very low76Confident38 Ų3879.2 Ų79.227%0.26637%0.373SS..  trans-60.595178.2-114.20000112.1R117 D119 F123 G124R117-S121 PolarHBondContact NH1-OG 2.97Å; D119-S121 PolarHBondContact O-N 3.19Å; D119-S121 WeakPolarHBondContact OD2-CB 3.44Å; D119-S121 PolarHBondContact OD2-N 3.13Å; D119-S121 PolarHBondContact OD2-OG 2.86Å; S121-F123 PolarHBondContact O-N 2.91Å; S121-G124 PolarHBondContact O-N 3.28Å; S121-G124 VanDerWaalsContact O-N 3.16Å
122F43.2Very low76.1Confident182 Ų18278.6 Ų78.680%0.79837%0.366SS*.THydrogen-bonded Turntrans-60.9-10.1-179.1-72-79.4000115H120H120-F122 VanDerWaalsContact O-CD2 3.23Å; H120-F122 WeakPolarHBondContact O-CD2 3.3Å; H120-F122 PolarHBondContact O-N 3.4Å
123F43.4Very low76Confident214 Ų21475.1 Ų75.194%0.93935%0.353SS*.THydrogen-bonded Turntrans-127.17.3179.6-63.9-81.6000114.1S121S121-F123 PolarHBondContact O-N 2.91Å
124G52.6Low76Confident33 Ų3375.1 Ų75.134%0.3435%0.353SS..SBendtrans-109.1161.2179.400000112.9S121 E126S121-G124 PolarHBondContact O-N 3.28Å; S121-G124 VanDerWaalsContact O-N 3.16Å; G124-E126 PolarHBondContact O-N 2.8Å
125T66.6Low75.9Confident104 Ų10472.8 Ų72.864%0.63834%0.342SS*.  trans-71.2120.315955.50000107.9W127T125-W127 VanDerWaalsContact CB-O 3.27Å; T125-W127 WeakPolarHBondContact CB-O 3.47Å; T125-W127 PolarHBondContact O-N 2.78Å; T125-W127 VanDerWaalsContact O-N 3.07Å; T125-W127 PolarHBondContact OG1-O 2.96Å
126E79.8Confident75.6Confident81 Ų8175.8 Ų75.838%0.37936%0.356SS..SBendtrans-51.1-32.8177.2172176.5-133.500112.2R116 R117 G124R116-E126 CarbonylContact C-O 3.55Å; R116-E126 WeakPolarHBondContact CA-O 3.48Å; R116-E126 HydrophobicContact CG-CG 3.8Å; R116-E126 IonicContact CZ-OE1 2.72Å; R116-E126 VanDerWaalsContact CZ-OE1 3.22Å; R116-E126 IonicContact NE-OE1 2.67Å; R116-E126 PolarHBondContact NE-OE1 3.24Å; R116-E126 IonicContact NH2-OE1 2.69Å; R116-E126 PolarHBondContact NH2-OE1 2.78Å; R117-E126 PolarHBondContact N-O 3.27Å; G124-E126 PolarHBondContact O-N 2.8Å
127W87.3Confident75.7Confident32 Ų3275.1 Ų75.112%0.12136%0.356CS..EExtended strand (participates in β ladder)trans-102.1128.7173.7-61.887.3000109.7E114 R116 T125 L167 R168 C190E114-W127 HydrophobicContact CB-CB 4.32Å; E114-W127 HydrophobicContact CB-CE3 4.17Å; E114-W127 VanDerWaalsContact O-CE3 3.27Å; E114-W127 WeakPolarHBondContact O-CZ3 3.33Å; R116-W127 HydrophobicContact CB-CD2 4.43Å; R116-W127 HydrophobicContact CB-CE3 4.1Å; R116-W127 HydrophobicContact CB-CH2 4.16Å; R116-W127 HydrophobicContact CB-CZ2 4.46Å; R116-W127 HydrophobicContact CB-CZ3 3.95Å; R116-W127 HydrophobicContact CG-CD2 4.5Å; R116-W127 HydrophobicContact CG-CH2 4.47Å; R116-W127 HydrophobicContact CG-CZ2 4.29Å; T125-W127 VanDerWaalsContact CB-O 3.27Å; T125-W127 WeakPolarHBondContact CB-O 3.47Å; T125-W127 PolarHBondContact O-N 2.78Å; T125-W127 VanDerWaalsContact O-N 3.07Å; T125-W127 PolarHBondContact OG1-O 2.96Å; W127-L167 HydrophobicContact CH2-CB 4.08Å; W127-L167 HydrophobicContact CH2-CD1 4.46Å; W127-L167 HydrophobicContact CZ2-CB 4.12Å; W127-R168 HydrophobicContact CH2-CG 4.32Å; W127-R168 HydrophobicContact CZ2-CG 3.57Å; W127-C190 HydrophobicContact CE3-CB 3.92Å; W127-C190 HydrophobicContact CH2-CB 4.32Å; W127-C190 HydrophobicContact CZ3-CB 3.69Å
128Q88.6Confident76.2Confident43 Ų4373 Ų7320%0.20135%0.352CS..EExtended strand (participates in β ladder)trans-119.4128.6176.8-66-172-94.500110.4E114 K115 R117 R130E114-Q128 CarbonylContact C-O 3.58Å; E114-Q128 WeakPolarHBondContact CA-O 3.32Å; K115-Q128 PolarHBondContact N-O 3.07Å; K115-Q128 PolarHBondContact O-N 2.84Å; R117-Q128 HydrophobicContact CG-CG 4.42Å; R117-Q128 VanDerWaalsContact NE-CD 3.32Å; Q128-R130 PolarHBondContact O-N 2.75Å
129K92.9Very high77.6Confident130 Ų13063.9 Ų63.957%0.56531%0.312SS*.EExtended strand (participates in β ladder)trans-63131.2169.5-164.5179.4-177.6-166.30109.4Y112 L113Y112-K129 VanDerWaalsContact CB-CE 3.43Å; Y112-K129 HydrophobicContact CD1-CD 4.27Å; Y112-K129 HydrophobicContact CD1-CG 4.21Å; Y112-K129 VanDerWaalsContact CG-CE 3.45Å; L113-K129 WeakPolarHBondContact O-CA 3.41Å
130R94.2Very high79.3Confident33 Ų3361 Ų6113%0.12530%0.295CS..EExtended strand (participates in β ladder)trans-136.9146.9174.8-68.1-67.7176.9-116.425.2108.2D84 Y112 L113 K115 Q128 Y142D84-R130 IonicContact OD2-NH2 3.97Å; Y112-R130 CarbonylContact C-O 2.92Å; Y112-R130 WeakPolarHBondContact CA-O 3.12Å; L113-R130 PolarHBondContact N-O 2.74Å; L113-R130 PolarHBondContact O-N 2.83Å; L113-R130 VanDerWaalsContact O-O 3.11Å; K115-R130 HydrophobicContact CB-CG 4.17Å; Q128-R130 PolarHBondContact O-N 2.75Å; R130-Y142 CarbonylContact C-O 3.37Å; R130-Y142 WeakPolarHBondContact CA-O 3.43Å; R130-Y142 WeakPolarHBondContact CB-O 3.28Å; R130-Y142 WeakPolarHBondContact CD-O 3.36Å
131W95.5Very high81.4Confident31 Ų3155.3 Ų55.312%0.11727%0.268CS..EExtended strand (participates in β ladder)trans-85.6119.8162.6-173.983.9000106.9A101 L104 A110 Y112 A133 Y141 Y142 E145A101-W131 HydrophobicContact CB-CE3 3.77Å; A101-W131 HydrophobicContact CB-CH2 4.05Å; A101-W131 HydrophobicContact CB-CZ3 3.44Å; A101-W131 VanDerWaalsContact CB-CZ3 3.44Å; A101-W131 WeakPolarHBondContact O-CH2 3.39Å; L104-W131 HydrophobicContact CD1-CH2 4.25Å; L104-W131 HydrophobicContact CD1-CZ3 4.01Å; A110-W131 HydrophobicContact CB-CH2 4.05Å; A110-W131 HydrophobicContact CB-CZ2 3.53Å; Y112-W131 HydrophobicContact CD1-CB 3.91Å; Y112-W131 HydrophobicContact CD1-CG 4.49Å; Y112-W131 HydrophobicContact CE1-CB 3.65Å; Y112-W131 AromaticContact CE1-CD1 3.95Å; Y112-W131 HydrophobicContact CE1-CG 4.2Å; Y112-W131 AromaticContact CE2-CD1 3.75Å; Y112-W131 AromaticContact CZ-CD1 3.7Å; W131-A133 HydrophobicContact CE3-CB 4.37Å; W131-A133 HydrophobicContact CH2-CB 3.75Å; W131-A133 HydrophobicContact CZ3-CB 3.66Å; W131-Y141 CarbonylContact O-C 3.54Å; W131-Y141 WeakPolarHBondContact O-CA 3.37Å; W131-Y142 AromaticContact CE3-CD2 3.5Å; W131-Y142 HydrophobicContact CE3-CD2 3.5Å; W131-Y142 VanDerWaalsContact CE3-CD2 3.5Å; W131-Y142 HydrophobicContact CE3-CE2 4.05Å; W131-Y142 HydrophobicContact CE3-CG 4.08Å; W131-Y142 AromaticContact CZ3-CD2 3.76Å; W131-Y142 HydrophobicContact CZ3-CD2 3.76Å; W131-Y142 AromaticContact CZ3-CE2 3.81Å; W131-Y142 HydrophobicContact CZ3-CE2 3.81Å; W131-Y142 PolarHBondContact N-O 3.43Å; W131-Y142 PolarHBondContact O-N 3.02Å; W131-E145 HydrophobicContact CD2-CB 4.07Å; W131-E145 HydrophobicContact CG-CB 3.95Å
132C95.7Very high83.9Confident0 Ų053.5 Ų53.50%026%0.255CS..EExtended strand (participates in β ladder)trans-112.1144.3-177.1-63.20000109.4A110 G111 L113 F139 Y140 W200A110-C132 CarbonylContact C-O 3.57Å; A110-C132 WeakPolarHBondContact CA-O 3.3Å; G111-C132 PolarHBondContact N-O 2.91Å; G111-C132 PolarHBondContact O-N 3.3Å; L113-C132 HydrophobicContact CD1-CB 4.01Å; L113-C132 HydrophobicContact CG-CB 4.42Å; C132-F139 HydrophobicContact CB-CE1 3.71Å; C132-F139 HydrophobicContact CB-CZ 3.67Å; C132-Y140 WeakPolarHBondContact CA-O 3.48Å; C132-W200 HydrophobicContact CB-CH2 4.3Å
133A94.8Very high86.1Confident0 Ų046.2 Ų46.20%023%0.231CC..EExtended strand (participates in β ladder)trans-142.4129177.200000110.5L104 V107 K109 A110 W131 Y140L104-A133 HydrophobicContact CD1-CB 3.57Å; V107-A133 HydrophobicContact CG1-CB 4.31Å; K109-A133 WeakPolarHBondContact O-CA 3.4Å; A110-A133 HydrophobicContact CB-CB 3.86Å; W131-A133 HydrophobicContact CE3-CB 4.37Å; W131-A133 HydrophobicContact CH2-CB 3.75Å; W131-A133 HydrophobicContact CZ3-CB 3.66Å; A133-Y140 PolarHBondContact N-O 3.09Å; A133-Y140 PolarHBondContact O-N 3.37Å
134L93.8Very high88.4Confident0 Ų037.8 Ų37.80%020%0.199CC..EExtended strand (participates in β ladder)trans-93.3115.7169.2179.164.5000108.3V107 F108 K109 F139 I156 W200 Q203 I204 V207V107-L134 CarbonylContact C-O 3.5Å; V107-L134 WeakPolarHBondContact CA-O 3.32Å; F108-L134 HydrophobicContact CB-CD2 4.41Å; F108-L134 HydrophobicContact CD2-CD2 4.4Å; F108-L134 HydrophobicContact CD2-CG 4.23Å; F108-L134 PolarHBondContact N-O 3.13Å; K109-L134 PolarHBondContact O-N 3.44Å; L134-F139 HydrophobicContact CB-CD2 4.34Å; L134-F139 HydrophobicContact CD1-CB 4.39Å; L134-F139 HydrophobicContact CD1-CD2 4.3Å; L134-I156 HydrophobicContact CD1-CD1 3.75Å; L134-I156 HydrophobicContact CD1-CG1 4.34Å; L134-W200 HydrophobicContact CB-CZ3 4.44Å; L134-Q203 HydrophobicContact CD2-CG 4.37Å; L134-I204 HydrophobicContact CD2-CG1 4.01Å; L134-V207 HydrophobicContact CD2-CB 4.42Å; L134-V207 HydrophobicContact CD2-CG2 4.04Å
135S91.7Very high90.2Very high3 Ų339.5 Ų39.52%0.02120%0.198CC..EExtended strand (participates in β ladder)trans-129.8114.1-174142.40000108.8T105 H137 T138T105-S135 PolarHBondContact O-OG 2.81Å; S135-H137 PolarHBondContact O-N 3.01Å; S135-T138 PolarHBondContact N-O 2.75Å; S135-T138 PolarHBondContact O-N 3.49Å
136H86.6Confident91.3Very high96 Ų9641.1 Ų41.144%0.44420%0.197SC..THydrogen-bonded Turntrans46.7-132.9-160.1-57.4118.5000109.7T105 S106 F108 T138T105-H136 PolarHBondContact OG1-NE2 3.31Å; S106-H136 PolarHBondContact O-N 2.95Å; S106-H136 PolarHBondContact OG-NE2 2.86Å; F108-H136 WeakPolarHBondContact CE2-O 3.07Å; H136-T138 VanDerWaalsContact C-N 3.32Å
137H88.3Confident91.8Very high51 Ų5139.2 Ų39.224%0.23619%0.189CC..THydrogen-bonded Turntrans-92.616.6178.5-45.3165.6000112.8S135 G155 I156 D157 M211S135-H137 PolarHBondContact O-N 3.01Å; H137-G155 CarbonylContact O-C 3.53Å; H137-G155 WeakPolarHBondContact O-CA 3.46Å; H137-I156 HydrophobicContact CB-CG1 4.33Å; H137-I156 VanDerWaalsContact O-CG1 3.3Å; H137-I156 WeakPolarHBondContact O-CG1 3.31Å; H137-I156 PolarHBondContact O-N 3.5Å; H137-D157 IonicContact CE1-OD1 3.9Å; H137-D157 IonicContact CG-OD1 2.84Å; H137-D157 IonicContact ND1-OD1 3.96Å; H137-D157 PolarHBondContact ND1-OD1 2.9Å; H137-M211 WeakPolarHBondContact CE1-CG 3.46Å; H137-M211 PolarHBondContact CE1-SD 2.89Å
138T90.9Very high91.9Very high35 Ų3546.5 Ų46.522%0.21522%0.221CC..EExtended strand (participates in β ladder)trans-110.8125.4178.7-54.20000110.8S135 H136 Y140 E153S135-T138 PolarHBondContact N-O 2.75Å; S135-T138 PolarHBondContact O-N 3.49Å; H136-T138 VanDerWaalsContact C-N 3.32Å; T138-Y140 HydrophobicContact CG2-CD1 4.41Å; T138-Y140 HydrophobicContact CG2-CD2 3.95Å; T138-Y140 HydrophobicContact CG2-CE1 3.96Å; T138-Y140 HydrophobicContact CG2-CE2 3.45Å; T138-Y140 VanDerWaalsContact CG2-CE2 3.45Å; T138-Y140 HydrophobicContact CG2-CG 4.4Å; T138-Y140 VanDerWaalsContact CG2-CZ 3.45Å; T138-Y140 WeakPolarHBondContact O-CD2 3.44Å; T138-E153 HydrophobicContact CG2-CB 3.83Å; T138-E153 HydrophobicContact CG2-CG 4.11Å
139F94.2Very high91.8Very high0 Ų049.7 Ų49.70%024%0.236CC..EExtended strand (participates in β ladder)trans-95.5108.9174.9-165.8-74.9000109.7L113 C132 L134 E153 F154 I156 I179 F189 W200 I204L113-F139 HydrophobicContact CD1-CZ 4.21Å; C132-F139 HydrophobicContact CB-CE1 3.71Å; C132-F139 HydrophobicContact CB-CZ 3.67Å; L134-F139 HydrophobicContact CB-CD2 4.34Å; L134-F139 HydrophobicContact CD1-CB 4.39Å; L134-F139 HydrophobicContact CD1-CD2 4.3Å; F139-E153 CarbonylContact O-C 3.58Å; F139-E153 VanDerWaalsContact O-CA 3.31Å; F139-E153 WeakPolarHBondContact O-CA 3.37Å; F139-F154 HydrophobicContact CB-CD1 4.47Å; F139-F154 HydrophobicContact CB-CD2 4.08Å; F139-F154 HydrophobicContact CB-CE1 4.08Å; F139-F154 HydrophobicContact CB-CE2 3.68Å; F139-F154 HydrophobicContact CB-CG 4.47Å; F139-F154 HydrophobicContact CB-CZ 3.67Å; F139-F154 AromaticContact CD1-CE1 3.64Å; F139-F154 HydrophobicContact CD1-CE1 3.64Å; F139-F154 HydrophobicContact CD1-CE2 4.35Å; F139-F154 AromaticContact CD1-CZ 3.48Å; F139-F154 HydrophobicContact CD1-CZ 3.48Å; F139-F154 VanDerWaalsContact CD1-CZ 3.48Å; F139-F154 HydrophobicContact CE1-CE1 4.47Å; F139-F154 HydrophobicContact CE1-CZ 4.25Å; F139-F154 HydrophobicContact CG-CE1 4.15Å; F139-F154 HydrophobicContact CG-CE2 4.06Å; F139-F154 AromaticContact CG-CZ 3.64Å; F139-F154 HydrophobicContact CG-CZ 3.64Å; F139-F154 PolarHBondContact N-O 2.9Å; F139-F154 PolarHBondContact O-N 3.48Å; F139-F154 VanDerWaalsContact O-N 3.07Å; F139-I156 HydrophobicContact CB-CG2 3.97Å; F139-I179 HydrophobicContact CD2-CD1 4.06Å; F139-I179 HydrophobicContact CE2-CD1 4.08Å; F139-F189 HydrophobicContact CD1-CZ 4.28Å; F139-F189 AromaticContact CE1-CE1 3.88Å; F139-F189 HydrophobicContact CE1-CE1 3.88Å; F139-F189 HydrophobicContact CE1-CE2 4.29Å; F139-F189 AromaticContact CE1-CZ 3.52Å; F139-F189 HydrophobicContact CE1-CZ 3.52Å; F139-F189 HydrophobicContact CZ-CE1 4.14Å; F139-F189 HydrophobicContact CZ-CE2 4.29Å; F139-F189 AromaticContact CZ-CZ 3.87Å; F139-F189 HydrophobicContact CZ-CZ 3.87Å; F139-W200 HydrophobicContact CE2-CE3 4.23Å; F139-W200 AromaticContact CE2-CZ3 3.87Å; F139-W200 HydrophobicContact CE2-CZ3 3.87Å; F139-W200 HydrophobicContact CZ-CZ3 4.33Å; F139-I204 HydrophobicContact CE2-CD1 4.13Å
140Y94.2Very high91.7Very high24 Ų2444.2 Ų44.29%0.09421%0.213CC..EExtended strand (participates in β ladder)trans-96.5147.6178.1-61.5-93.7000110.9A96 L104 C132 A133 T138 Y142 Q150 E153A96-Y140 HydrophobicContact CB-CE1 4.4Å; L104-Y140 HydrophobicContact CD1-CD2 4.42Å; L104-Y140 HydrophobicContact CD2-CD1 4.33Å; L104-Y140 HydrophobicContact CD2-CD2 3.62Å; L104-Y140 HydrophobicContact CD2-CE1 4.33Å; L104-Y140 HydrophobicContact CD2-CE2 3.59Å; L104-Y140 HydrophobicContact CD2-CG 4Å; C132-Y140 WeakPolarHBondContact CA-O 3.48Å; A133-Y140 PolarHBondContact N-O 3.09Å; A133-Y140 PolarHBondContact O-N 3.37Å; T138-Y140 HydrophobicContact CG2-CD1 4.41Å; T138-Y140 HydrophobicContact CG2-CD2 3.95Å; T138-Y140 HydrophobicContact CG2-CE1 3.96Å; T138-Y140 HydrophobicContact CG2-CE2 3.45Å; T138-Y140 VanDerWaalsContact CG2-CE2 3.45Å; T138-Y140 HydrophobicContact CG2-CG 4.4Å; T138-Y140 VanDerWaalsContact CG2-CZ 3.45Å; T138-Y140 WeakPolarHBondContact O-CD2 3.44Å; Y140-Y142 HydrophobicContact CG-CE2 4.48Å; Y140-Q150 HydrophobicContact CD1-CB 4.26Å; Y140-Q150 HydrophobicContact CD1-CG 4.15Å; Y140-E153 HydrophobicContact CD1-CB 3.58Å; Y140-E153 HydrophobicContact CD1-CG 4.4Å; Y140-E153 HydrophobicContact CE1-CB 3.84Å; Y140-E153 HydrophobicContact CE1-CG 4.21Å; Y140-E153 HydrophobicContact CG-CB 4.21Å
141Y94.5Very high91.5Very high31 Ų3143.7 Ų43.712%0.12221%0.211CC..EExtended strand (participates in β ladder)trans-136139.517059.7-92.2000112.7K115 W131 K151 G152 F154K115-Y141 HydrophobicContact CD-CD1 4.42Å; K115-Y141 HydrophobicContact CD-CD2 4.25Å; K115-Y141 HydrophobicContact CD-CE2 4.48Å; K115-Y141 HydrophobicContact CD-CG 4.25Å; W131-Y141 CarbonylContact O-C 3.54Å; W131-Y141 WeakPolarHBondContact O-CA 3.37Å; Y141-K151 HydrophobicContact CD2-CB 3.78Å; Y141-K151 HydrophobicContact CE2-CB 3.7Å; Y141-K151 WeakPolarHBondContact CE2-O 3.45Å; Y141-K151 WeakPolarHBondContact O-CA 3.48Å; Y141-K151 WeakPolarHBondContact O-CB 2.99Å; Y141-K151 PolarHBondContact O-N 2.86Å; Y141-K151 PolarHBondContact OH-O 2.89Å; Y141-G152 WeakPolarHBondContact CD1-O 3.23Å; Y141-G152 WeakPolarHBondContact CE1-O 3.26Å; Y141-G152 PolarHBondContact N-O 2.94Å; Y141-G152 VanDerWaalsContact N-O 3.13Å; Y141-F154 HydrophobicContact CD1-CE1 4.22Å; Y141-F154 HydrophobicContact CE1-CD1 4.28Å; Y141-F154 HydrophobicContact CE1-CE1 4.24Å
142Y93.6Very high91.2Very high0 Ų043 Ų430%021%0.214CC..EExtended strand (participates in β ladder)trans-128.9162.9-171.8-61.8-101.5000110V99 A101 L104 R130 W131 Y140 S144 D147 Q149 Q150V99-Y142 VanDerWaalsContact O-CE1 3.24Å; V99-Y142 WeakPolarHBondContact O-CE1 3.34Å; V99-Y142 PolarHBondContact O-OH 3.07Å; A101-Y142 HydrophobicContact CB-CD1 3.93Å; A101-Y142 HydrophobicContact CB-CD2 4.34Å; A101-Y142 HydrophobicContact CB-CE1 3.92Å; A101-Y142 HydrophobicContact CB-CE2 4.32Å; A101-Y142 HydrophobicContact CB-CG 4.14Å; L104-Y142 HydrophobicContact CD1-CE2 3.94Å; R130-Y142 CarbonylContact C-O 3.37Å; R130-Y142 WeakPolarHBondContact CA-O 3.43Å; R130-Y142 WeakPolarHBondContact CB-O 3.28Å; R130-Y142 WeakPolarHBondContact CD-O 3.36Å; W131-Y142 AromaticContact CE3-CD2 3.5Å; W131-Y142 HydrophobicContact CE3-CD2 3.5Å; W131-Y142 VanDerWaalsContact CE3-CD2 3.5Å; W131-Y142 HydrophobicContact CE3-CE2 4.05Å; W131-Y142 HydrophobicContact CE3-CG 4.08Å; W131-Y142 AromaticContact CZ3-CD2 3.76Å; W131-Y142 HydrophobicContact CZ3-CD2 3.76Å; W131-Y142 AromaticContact CZ3-CE2 3.81Å; W131-Y142 HydrophobicContact CZ3-CE2 3.81Å; W131-Y142 PolarHBondContact N-O 3.43Å; W131-Y142 PolarHBondContact O-N 3.02Å; Y140-Y142 HydrophobicContact CG-CE2 4.48Å; Y142-S144 WeakPolarHBondContact CB-O 3.32Å; Y142-D147 HydrophobicContact CD1-CB 3.82Å; Y142-Q149 WeakPolarHBondContact CD1-O 3.18Å; Y142-Q150 VanDerWaalsContact CD1-CA 3.49Å; Y142-Q150 HydrophobicContact CD1-CB 4.12Å; Y142-Q150 VanDerWaalsContact CE1-CA 3.42Å; Y142-Q150 HydrophobicContact CE1-CB 3.7Å; Y142-Q150 VanDerWaalsContact CE1-N 3.32Å; Y142-Q150 HydrophobicContact CE2-CB 4.21Å
143G89.8Confident91Very high29 Ų2944.7 Ų44.730%0.29922%0.222SC..SBendtrans-68.5-38.2165.800000112D147G143-D147 WeakPolarHBondContact CA-OD2 3.36Å; G143-D147 PolarHBondContact N-OD2 3.36Å
144S90.2Very high90.8Very high38 Ų3845.2 Ų45.227%0.26622%0.224SC..SBendtrans-146.7156.1-175.9-171.40000112.5Y142 K146 D147Y142-S144 WeakPolarHBondContact CB-O 3.32Å; S144-K146 PolarHBondContact O-N 3.42Å; S144-D147 WeakPolarHBondContact CB-OD1 3.16Å; S144-D147 PolarHBondContact N-OD2 2.99Å; S144-D147 WeakPolarHBondContact O-CB 3.22Å; S144-D147 PolarHBondContact O-N 2.92Å; S144-D147 VanDerWaalsContact O-N 3.16Å
145E91.2Very high90.6Very high69 Ų6946.7 Ų46.732%0.32224%0.239SC..THydrogen-bonded Turntrans-60.7-1.1170.474.2-161.1-154.500114.8Q102 Y112 W131Q102-E145 WeakPolarHBondContact CG-O 3.5Å; Q102-E145 PolarHBondContact NE2-O 2.94Å; Y112-E145 WeakPolarHBondContact CE2-OE2 3.47Å; Y112-E145 VanDerWaalsContact OH-CD 3.28Å; Y112-E145 WeakPolarHBondContact OH-CG 3.46Å; Y112-E145 PolarHBondContact OH-N 3.32Å; Y112-E145 PolarHBondContact OH-OE2 2.82Å; W131-E145 HydrophobicContact CD2-CB 4.07Å; W131-E145 HydrophobicContact CG-CB 3.95Å
146K89.9Confident90.6Very high138 Ų13846.6 Ų46.660%0.624%0.238SC*.THydrogen-bonded Turntrans-121.41.2-176.6-51.8-174.4-176.7172.60112.6S144S144-K146 PolarHBondContact O-N 3.42Å
147D89.7Confident90.6Very high41 Ų4145.6 Ų45.622%0.21924%0.236CC..  trans-68.6132.8178.7-71.5-3.7000109.7A100 A101 Y142 G143 S144 Q149A100-D147 WeakPolarHBondContact CA-O 3.37Å; A101-D147 PolarHBondContact N-O 2.85Å; Y142-D147 HydrophobicContact CD1-CB 3.82Å; G143-D147 WeakPolarHBondContact CA-OD2 3.36Å; G143-D147 PolarHBondContact N-OD2 3.36Å; S144-D147 WeakPolarHBondContact CB-OD1 3.16Å; S144-D147 PolarHBondContact N-OD2 2.99Å; S144-D147 WeakPolarHBondContact O-CB 3.22Å; S144-D147 PolarHBondContact O-N 2.92Å; S144-D147 VanDerWaalsContact O-N 3.16Å; D147-Q149 PolarHBondContact O-N 3.37Å
148K89.2Confident90.4Very high184 Ų18446.3 Ų46.380%0.826%0.257SS*.SBendtrans-79.9-1.8-178.5-63-179.6-178.6175.60114.2A100A100-K148 PolarHBondContact N-O 3.48Å
149Q87.6Confident90.4Very high110 Ų11046.8 Ų46.851%0.51426%0.256SS..SBendtrans-155.2140.9-178.2178.4173.79.500108.4P98 Y142 D147P98-Q149 HydrophobicContact CB-CB 4.39Å; P98-Q149 HydrophobicContact CB-CG 3.93Å; Y142-Q149 WeakPolarHBondContact CD1-O 3.18Å; D147-Q149 PolarHBondContact O-N 3.37Å
150Q90.9Very high90.2Very high16 Ų1650.7 Ų50.78%0.07528%0.277CS..  trans-67.8155.1174.970.2-81.120.500112.5P97 V99 Y140 Y142 G152 E153P97-Q150 PolarHBondContact O-NE2 2.87Å; P97-Q150 VanDerWaalsContact O-NE2 3.09Å; V99-Q150 PolarHBondContact O-OE1 2.97Å; Y140-Q150 HydrophobicContact CD1-CB 4.26Å; Y140-Q150 HydrophobicContact CD1-CG 4.15Å; Y142-Q150 VanDerWaalsContact CD1-CA 3.49Å; Y142-Q150 HydrophobicContact CD1-CB 4.12Å; Y142-Q150 VanDerWaalsContact CE1-CA 3.42Å; Y142-Q150 HydrophobicContact CE1-CB 3.7Å; Y142-Q150 VanDerWaalsContact CE1-N 3.32Å; Y142-Q150 HydrophobicContact CE2-CB 4.21Å; Q150-G152 PolarHBondContact O-N 3.33Å; Q150-E153 WeakPolarHBondContact CG-OE2 3.44Å; Q150-E153 PolarHBondContact NE2-OE2 3.35Å
151K89.1Confident90.2Very high22 Ų2250 Ų5010%0.09628%0.275CS..SBendtrans-83.511.6167.4-60.6-73.1166.7169.60111.9D84 Y141D84-K151 HydrophobicContact CB-CD 4.4Å; D84-K151 VanDerWaalsContact N-NZ 3.18Å; D84-K151 PolarHBondContact O-NZ 2.88Å; D84-K151 IonicContact OD2-NZ 2.75Å; D84-K151 PolarHBondContact OD2-NZ 3.4Å; Y141-K151 HydrophobicContact CD2-CB 3.78Å; Y141-K151 HydrophobicContact CE2-CB 3.7Å; Y141-K151 WeakPolarHBondContact CE2-O 3.45Å; Y141-K151 WeakPolarHBondContact O-CA 3.48Å; Y141-K151 WeakPolarHBondContact O-CB 2.99Å; Y141-K151 PolarHBondContact O-N 2.86Å; Y141-K151 PolarHBondContact OH-O 2.89Å
152G88.6Confident90.1Very high17 Ų1752.4 Ų52.418%0.17529%0.286CS..  trans124.8166.1-174.800000112.1Y141 Q150Y141-G152 WeakPolarHBondContact CD1-O 3.23Å; Y141-G152 WeakPolarHBondContact CE1-O 3.26Å; Y141-G152 PolarHBondContact N-O 2.94Å; Y141-G152 VanDerWaalsContact N-O 3.13Å; Q150-G152 PolarHBondContact O-N 3.33Å
153E91.6Very high90.1Very high35 Ų3556 Ų5616%0.16430%0.304CS..EExtended strand (participates in β ladder)trans-144.2170.4-176.467.7-74.7158.200110.2A96 T138 F139 Y140 Q150A96-E153 HydrophobicContact CB-CG 3.71Å; A96-E153 WeakPolarHBondContact CB-OE1 3.12Å; A96-E153 PolarHBondContact N-OE1 3.21Å; T138-E153 HydrophobicContact CG2-CB 3.83Å; T138-E153 HydrophobicContact CG2-CG 4.11Å; F139-E153 CarbonylContact O-C 3.58Å; F139-E153 VanDerWaalsContact O-CA 3.31Å; F139-E153 WeakPolarHBondContact O-CA 3.37Å; Y140-E153 HydrophobicContact CD1-CB 3.58Å; Y140-E153 HydrophobicContact CD1-CG 4.4Å; Y140-E153 HydrophobicContact CE1-CB 3.84Å; Y140-E153 HydrophobicContact CE1-CG 4.21Å; Y140-E153 HydrophobicContact CG-CB 4.21Å; Q150-E153 WeakPolarHBondContact CG-OE2 3.44Å; Q150-E153 PolarHBondContact NE2-OE2 3.35Å
154F90.9Very high90.1Very high11 Ų1155.9 Ų55.95%0.04830%0.296CS..EExtended strand (participates in β ladder)trans-154138.9164.349.4-81.8000109.7F139 Y141 I156 Y159 I179 Y187 F189F139-F154 HydrophobicContact CB-CD1 4.47Å; F139-F154 HydrophobicContact CB-CD2 4.08Å; F139-F154 HydrophobicContact CB-CE1 4.08Å; F139-F154 HydrophobicContact CB-CE2 3.68Å; F139-F154 HydrophobicContact CB-CG 4.47Å; F139-F154 HydrophobicContact CB-CZ 3.67Å; F139-F154 AromaticContact CD1-CE1 3.64Å; F139-F154 HydrophobicContact CD1-CE1 3.64Å; F139-F154 HydrophobicContact CD1-CE2 4.35Å; F139-F154 AromaticContact CD1-CZ 3.48Å; F139-F154 HydrophobicContact CD1-CZ 3.48Å; F139-F154 VanDerWaalsContact CD1-CZ 3.48Å; F139-F154 HydrophobicContact CE1-CE1 4.47Å; F139-F154 HydrophobicContact CE1-CZ 4.25Å; F139-F154 HydrophobicContact CG-CE1 4.15Å; F139-F154 HydrophobicContact CG-CE2 4.06Å; F139-F154 AromaticContact CG-CZ 3.64Å; F139-F154 HydrophobicContact CG-CZ 3.64Å; F139-F154 PolarHBondContact N-O 2.9Å; F139-F154 PolarHBondContact O-N 3.48Å; F139-F154 VanDerWaalsContact O-N 3.07Å; Y141-F154 HydrophobicContact CD1-CE1 4.22Å; Y141-F154 HydrophobicContact CE1-CD1 4.28Å; Y141-F154 HydrophobicContact CE1-CE1 4.24Å; F154-I156 HydrophobicContact CD2-CG2 3.88Å; F154-I156 HydrophobicContact CE2-CG2 3.79Å; F154-Y159 HydrophobicContact CD2-CD2 4.22Å; F154-Y159 AromaticContact CD2-CE2 3.6Å; F154-Y159 HydrophobicContact CD2-CE2 3.6Å; F154-Y159 HydrophobicContact CE2-CD2 4.47Å; F154-Y159 HydrophobicContact CE2-CE2 4.2Å; F154-Y159 HydrophobicContact CG-CE2 4.46Å; F154-I179 HydrophobicContact CE2-CD1 4.07Å; F154-I179 HydrophobicContact CZ-CD1 4.09Å; F154-Y187 HydrophobicContact CB-CE2 4.28Å; F154-Y187 WeakPolarHBondContact CB-OH 3.41Å; F154-Y187 HydrophobicContact CD1-CD1 4.03Å; F154-Y187 HydrophobicContact CD1-CD2 4.38Å; F154-Y187 AromaticContact CD1-CE1 3.48Å; F154-Y187 HydrophobicContact CD1-CE1 3.48Å; F154-Y187 VanDerWaalsContact CD1-CE1 3.48Å; F154-Y187 AromaticContact CD1-CE2 3.88Å; F154-Y187 HydrophobicContact CD1-CE2 3.88Å; F154-Y187 HydrophobicContact CD1-CG 4.43Å; F154-Y187 AromaticContact CD1-CZ 3.36Å; F154-Y187 HydrophobicContact CD2-CD2 4.15Å; F154-Y187 AromaticContact CD2-CE2 3.79Å; F154-Y187 HydrophobicContact CD2-CE2 3.79Å; F154-Y187 AromaticContact CE1-CD1 3.58Å; F154-Y187 HydrophobicContact CE1-CD1 3.58Å; F154-Y187 HydrophobicContact CE1-CD2 4.14Å; F154-Y187 AromaticContact CE1-CE1 3.54Å; F154-Y187 HydrophobicContact CE1-CE1 3.54Å; F154-Y187 HydrophobicContact CE1-CE2 4.1Å; F154-Y187 AromaticContact CE1-CG 3.87Å; F154-Y187 HydrophobicContact CE1-CG 3.87Å; F154-Y187 AromaticContact CE1-CZ 3.78Å; F154-Y187 AromaticContact CE2-CD2 3.88Å; F154-Y187 HydrophobicContact CE2-CD2 3.88Å; F154-Y187 AromaticContact CE2-CE2 4Å; F154-Y187 HydrophobicContact CE2-CE2 4Å; F154-Y187 HydrophobicContact CE2-CG 4.24Å; F154-Y187 HydrophobicContact CG-CD2 4.4Å; F154-Y187 HydrophobicContact CG-CE1 4.17Å; F154-Y187 AromaticContact CG-CE2 3.72Å; F154-Y187 HydrophobicContact CG-CE2 3.72Å; F154-Y187 AromaticContact CG-CZ 3.56Å; F154-Y187 AromaticContact CZ-CD1 3.96Å; F154-Y187 HydrophobicContact CZ-CD1 3.96Å; F154-Y187 AromaticContact CZ-CD2 3.87Å; F154-Y187 HydrophobicContact CZ-CD2 3.87Å; F154-Y187 HydrophobicContact CZ-CE1 4.25Å; F154-Y187 HydrophobicContact CZ-CE2 4.15Å; F154-Y187 AromaticContact CZ-CG 3.75Å; F154-Y187 HydrophobicContact CZ-CG 3.75Å; F154-F189 HydrophobicContact CZ-CE2 4.39Å; F154-F189 HydrophobicContact CZ-CZ 4.25Å
155G90.8Very high90Very high30 Ų3058.4 Ų58.431%0.30931%0.306SS..EExtended strand (participates in β ladder)trans-62.5140.6162.100000109.3H137 Y159H137-G155 CarbonylContact O-C 3.53Å; H137-G155 WeakPolarHBondContact O-CA 3.46Å; G155-Y159 VanDerWaalsContact O-CE1 3.28Å; G155-Y159 WeakPolarHBondContact O-CE1 3.31Å; G155-Y159 WeakPolarHBondContact O-CE2 3.31Å; G155-Y159 PolarHBondContact O-OH 3.36Å
156I90.6Very high89.8Confident1 Ų160.2 Ų60.21%0.00532%0.323CS..  trans-98.1-0.617562.1162.7000112.5L134 H137 F139 F154 G158 Y159 I204 V207 L208L134-I156 HydrophobicContact CD1-CD1 3.75Å; L134-I156 HydrophobicContact CD1-CG1 4.34Å; H137-I156 HydrophobicContact CB-CG1 4.33Å; H137-I156 VanDerWaalsContact O-CG1 3.3Å; H137-I156 WeakPolarHBondContact O-CG1 3.31Å; H137-I156 PolarHBondContact O-N 3.5Å; F139-I156 HydrophobicContact CB-CG2 3.97Å; F154-I156 HydrophobicContact CD2-CG2 3.88Å; F154-I156 HydrophobicContact CE2-CG2 3.79Å; I156-G158 PolarHBondContact O-N 2.85Å; I156-G158 VanDerWaalsContact O-N 3.13Å; I156-Y159 HydrophobicContact CB-CG 4.46Å; I156-Y159 HydrophobicContact CG2-CD2 4.46Å; I156-Y159 WeakPolarHBondContact O-CB 3.2Å; I156-Y159 PolarHBondContact O-N 2.95Å; I156-I204 HydrophobicContact CD1-CG2 4Å; I156-V207 HydrophobicContact CD1-CB 4.38Å; I156-V207 HydrophobicContact CD1-CG1 4.08Å; I156-L208 HydrophobicContact CB-CD2 4.17Å; I156-L208 HydrophobicContact CD1-CD2 4.04Å; I156-L208 HydrophobicContact CD1-CG 4.17Å; I156-L208 HydrophobicContact CG1-CD2 4.16Å; I156-L208 WeakPolarHBondContact O-CD2 3.36Å
157D86.5Confident89.4Confident75 Ų7554.6 Ų54.640%0.40130%0.299SS..THydrogen-bonded Turntrans-53.4118.3-178.4-52.8-95000112H137 Y159H137-D157 IonicContact CE1-OD1 3.9Å; H137-D157 IonicContact CG-OD1 2.84Å; H137-D157 IonicContact ND1-OD1 3.96Å; H137-D157 PolarHBondContact ND1-OD1 2.9Å; D157-Y159 VanDerWaalsContact C-N 3.31Å; D157-Y159 PolarHBondContact O-N 3.37Å
158G84.5Confident88.9Confident66 Ų6654.5 Ų54.568%0.6830%0.295SS*.THydrogen-bonded Turntrans74.410.8-176.600000115.8I156I156-G158 PolarHBondContact O-N 2.85Å; I156-G158 VanDerWaalsContact O-N 3.13Å
159Y91.3Very high88.4Confident45 Ų4555.9 Ų55.918%0.17630%0.302CS..  trans-81.3169.1173-70.330.3000110.3F154 G155 I156 D157 I179 A181 Y187 L208F154-Y159 HydrophobicContact CD2-CD2 4.22Å; F154-Y159 AromaticContact CD2-CE2 3.6Å; F154-Y159 HydrophobicContact CD2-CE2 3.6Å; F154-Y159 HydrophobicContact CE2-CD2 4.47Å; F154-Y159 HydrophobicContact CE2-CE2 4.2Å; F154-Y159 HydrophobicContact CG-CE2 4.46Å; G155-Y159 VanDerWaalsContact O-CE1 3.28Å; G155-Y159 WeakPolarHBondContact O-CE1 3.31Å; G155-Y159 WeakPolarHBondContact O-CE2 3.31Å; G155-Y159 PolarHBondContact O-OH 3.36Å; I156-Y159 HydrophobicContact CB-CG 4.46Å; I156-Y159 HydrophobicContact CG2-CD2 4.46Å; I156-Y159 WeakPolarHBondContact O-CB 3.2Å; I156-Y159 PolarHBondContact O-N 2.95Å; D157-Y159 VanDerWaalsContact C-N 3.31Å; D157-Y159 PolarHBondContact O-N 3.37Å; Y159-I179 HydrophobicContact CD2-CG2 3.91Å; Y159-A181 HydrophobicContact CD1-CB 4Å; Y159-A181 HydrophobicContact CD2-CB 3.83Å; Y159-A181 HydrophobicContact CE1-CB 3.66Å; Y159-A181 HydrophobicContact CE2-CB 3.48Å; Y159-A181 VanDerWaalsContact CE2-CB 3.48Å; Y159-A181 HydrophobicContact CG-CB 4.08Å; Y159-Y187 HydrophobicContact CE2-CD2 4.46Å; Y159-Y187 HydrophobicContact CE2-CE2 4.05Å; Y159-L208 WeakPolarHBondContact O-CD1 3.5Å; Y159-L208 WeakPolarHBondContact O-CD2 3.48Å
160N90.3Very high88.1Confident83 Ų8353.9 Ų53.944%0.44430%0.295SS..EExtended strand (participates in β ladder)trans-123.8143.5170.4179.3-102.6000110.5I179 S180N160-I179 CarbonylContact O-C 3.54Å; N160-I179 WeakPolarHBondContact O-CA 3.31Å; N160-S180 PolarHBondContact N-O 2.82Å; N160-S180 PolarHBondContact O-N 2.83Å; N160-S180 PolarHBondContact O-OG 3.48Å
161V93.8Very high87.7Confident9 Ų958.9 Ų58.96%0.05533%0.331CS..EExtended strand (participates in β ladder)trans-121140178.6660000110.7F177 E178 I179 V201 I204 D205 L208V161-F177 HydrophobicContact CG2-CD2 4.21Å; V161-E178 WeakPolarHBondContact CA-O 3.38Å; V161-I179 HydrophobicContact CG2-CG1 4.13Å; V161-V201 HydrophobicContact CG1-CG1 4.25Å; V161-V201 HydrophobicContact CG2-CB 4.35Å; V161-V201 HydrophobicContact CG2-CG1 4.26Å; V161-V201 HydrophobicContact CG2-CG2 4.05Å; V161-I204 HydrophobicContact CB-CB 4.26Å; V161-I204 HydrophobicContact CB-CG2 3.72Å; V161-I204 HydrophobicContact CG1-CB 3.97Å; V161-I204 HydrophobicContact CG1-CG2 3.72Å; V161-I204 HydrophobicContact CG2-CB 4.16Å; V161-I204 HydrophobicContact CG2-CD1 4.12Å; V161-I204 HydrophobicContact CG2-CG2 4.02Å; V161-D205 HydrophobicContact CG1-CB 3.96Å; V161-L208 HydrophobicContact CB-CD1 4.39Å; V161-L208 HydrophobicContact CG1-CD1 3.96Å
162K93Very high87.3Confident82 Ų8261 Ų6136%0.35734%0.34SS..EExtended strand (participates in β ladder)trans-156.1151179.968.7-160.7178.9-161.80112.5F177 E178K162-F177 CarbonylContact O-C 3.57Å; K162-F177 WeakPolarHBondContact O-CA 3.32Å; K162-F177 WeakPolarHBondContact O-CB 3.37Å; K162-E178 HydrophobicContact CD-CG 4.43Å; K162-E178 VanDerWaalsContact CE-CD 3.43Å; K162-E178 WeakPolarHBondContact CE-OE1 3.36Å; K162-E178 HydrophobicContact CG-CG 4.05Å; K162-E178 PolarHBondContact N-O 2.89Å; K162-E178 IonicContact NZ-OE1 3.22Å; K162-E178 PolarHBondContact NZ-OE1 3.14Å; K162-E178 PolarHBondContact O-N 2.87Å
163M93.1Very high87.2Confident75 Ų7563.7 Ų63.737%0.36935%0.347SS..EExtended strand (participates in β ladder)trans-65.3140.7167-67.3-66.7-77.500110.2D174 F177 T194 A197 E198 V201M163-D174 WeakPolarHBondContact CE-O 3.11Å; M163-F177 HydrophobicContact SD-CB 4.05Å; M163-T194 HydrophobicContact CE-CG2 4.49Å; M163-A197 HydrophobicContact CE-CB 3.82Å; M163-A197 HydrophobicContact SD-CB 3.86Å; M163-E198 HydrophobicContact CE-CG 4.23Å; M163-V201 HydrophobicContact CG-CG2 4.09Å; M163-V201 HydrophobicContact SD-CG2 3.71Å
164N89.4Confident87.1Confident26 Ų2664.7 Ų64.714%0.13935%0.354CS..  trans-14496.4177.6-174.1-3.5000111.9T166 L167 C176 E178N164-T166 VanDerWaalsContact C-N 3.25Å; N164-T166 PolarHBondContact O-N 2.55Å; N164-T166 WeakPolarHBondContact OD1-CB 3.35Å; N164-T166 PolarHBondContact OD1-N 2.69Å; N164-T166 PolarHBondContact OD1-OG1 3.25Å; N164-L167 HydrophobicContact CB-CD1 3.86Å; N164-L167 HydrophobicContact CB-CG 3.95Å; N164-L167 WeakPolarHBondContact ND2-CD2 3.32Å; N164-L167 WeakPolarHBondContact O-CG 3.03Å; N164-C176 PolarHBondContact N-O 2.82Å; N164-C176 VanDerWaalsContact O-CB 3.3Å; N164-C176 WeakPolarHBondContact O-CB 3.24Å; N164-E178 HydrophobicContact CB-CG 4.33Å; N164-E178 PolarHBondContact ND2-OE2 2.84Å
165N88.8Confident87.2Confident91 Ų9164.6 Ų64.649%0.48736%0.355SS..THydrogen-bonded Turntrans-80.86.718068.72.7000115K173N165-K173 WeakPolarHBondContact CA-O 3.16Å; N165-K173 HydrophobicContact CB-CG 4.35Å; N165-K173 WeakPolarHBondContact O-CB 3.28Å
166T85.8Confident87.2Confident108 Ų10863.2 Ų63.266%0.66334%0.34SS*.THydrogen-bonded Turntrans-90.7-11.9174.670.60000113.3N164 R168N164-T166 VanDerWaalsContact C-N 3.25Å; N164-T166 PolarHBondContact O-N 2.55Å; N164-T166 WeakPolarHBondContact OD1-CB 3.35Å; N164-T166 PolarHBondContact OD1-N 2.69Å; N164-T166 PolarHBondContact OD1-OG1 3.25Å; T166-R168 VanDerWaalsContact C-N 3.29Å; T166-R168 PolarHBondContact O-N 3.41Å
167L81.3Confident87.5Confident20 Ų2063.1 Ų63.111%0.10534%0.34CS..SBendtrans-69.6-21.4-174.3-61.2179.8000114.2W127 N164 C176 E178 Q188W127-L167 HydrophobicContact CH2-CB 4.08Å; W127-L167 HydrophobicContact CH2-CD1 4.46Å; W127-L167 HydrophobicContact CZ2-CB 4.12Å; N164-L167 HydrophobicContact CB-CD1 3.86Å; N164-L167 HydrophobicContact CB-CG 3.95Å; N164-L167 WeakPolarHBondContact ND2-CD2 3.32Å; N164-L167 WeakPolarHBondContact O-CG 3.03Å; L167-C176 HydrophobicContact CB-CB 4.17Å; L167-C176 HydrophobicContact CD1-CB 4.11Å; L167-E178 HydrophobicContact CD1-CB 4.43Å; L167-Q188 HydrophobicContact CD1-CB 4.01Å; L167-Q188 HydrophobicContact CD1-CG 3.76Å; L167-Q188 VanDerWaalsContact CD2-CD 3.42Å; L167-Q188 HydrophobicContact CD2-CG 3.98Å; L167-Q188 VanDerWaalsContact CD2-NE2 3.32Å
168R80.1Confident87.8Confident38 Ų3860.3 Ų60.314%0.14332%0.324CS..  trans-136.3158.5177.1-56.4174.774.1127.7-0.4110.2E114 W127 T166 D170 K173 C176 C190E114-R168 IonicContact OE2-CZ 3.29Å; E114-R168 IonicContact OE2-NH1 2.95Å; E114-R168 PolarHBondContact OE2-NH1 2.93Å; E114-R168 IonicContact OE2-NH2 3.08Å; W127-R168 HydrophobicContact CH2-CG 4.32Å; W127-R168 HydrophobicContact CZ2-CG 3.57Å; T166-R168 VanDerWaalsContact C-N 3.29Å; T166-R168 PolarHBondContact O-N 3.41Å; R168-D170 VanDerWaalsContact CB-OD1 3.29Å; R168-D170 WeakPolarHBondContact CB-OD1 3.33Å; R168-D170 IonicContact CZ-OD2 3.69Å; R168-D170 VanDerWaalsContact CZ-OD2 3.29Å; R168-D170 IonicContact NE-OD1 3.85Å; R168-D170 PolarHBondContact NE-OD1 3.29Å; R168-D170 VanDerWaalsContact NE-OD1 3.08Å; R168-D170 IonicContact NE-OD2 2.73Å; R168-D170 PolarHBondContact NE-OD2 2.79Å; R168-D170 IonicContact NH2-OD2 2.9Å; R168-D170 PolarHBondContact NH2-OD2 2.86Å; R168-K173 HydrophobicContact CB-CB 4.13Å; R168-K173 VanDerWaalsContact O-CB 3.3Å; R168-K173 WeakPolarHBondContact O-CB 3.22Å; R168-C176 WeakPolarHBondContact CD-SG 3.37Å; R168-C190 PolarHBondContact NH1-SG 3.15Å
169K79.4Confident88.3Confident214 Ų21457.1 Ų57.193%0.9329%0.291SS*.SBendtrans-111.412.9176-65.6177.5-177.4175.90112.6
170D81.3Confident88.2Confident68 Ų6856.1 Ų56.136%0.36429%0.291SS..SBendtrans-106.8179.7179.86312.9000111.3R168 K172 K173R168-D170 VanDerWaalsContact CB-OD1 3.29Å; R168-D170 WeakPolarHBondContact CB-OD1 3.33Å; R168-D170 IonicContact CZ-OD2 3.69Å; R168-D170 VanDerWaalsContact CZ-OD2 3.29Å; R168-D170 IonicContact NE-OD1 3.85Å; R168-D170 PolarHBondContact NE-OD1 3.29Å; R168-D170 VanDerWaalsContact NE-OD1 3.08Å; R168-D170 IonicContact NE-OD2 2.73Å; R168-D170 PolarHBondContact NE-OD2 2.79Å; R168-D170 IonicContact NH2-OD2 2.9Å; R168-D170 PolarHBondContact NH2-OD2 2.86Å; D170-K172 PolarHBondContact O-N 2.91Å; D170-K172 VanDerWaalsContact O-N 3.1Å; D170-K172 WeakPolarHBondContact OD1-CA 3.49Å; D170-K172 WeakPolarHBondContact OD1-CB 3.42Å; D170-K172 PolarHBondContact OD1-N 2.9Å; D170-K173 WeakPolarHBondContact O-CB 3.42Å; D170-K173 PolarHBondContact O-N 3.49Å; D170-K173 VanDerWaalsContact O-N 3.11Å; D170-K173 PolarHBondContact OD1-N 2.84Å
171S81.7Confident88.1Confident121 Ų12152.6 Ų52.685%0.84627%0.273SS*.THydrogen-bonded Turntrans-66.7-4.6177.3-450000114.4
172K81.4Confident87.6Confident65 Ų6557 Ų5728%0.28330%0.302SS..THydrogen-bonded Turntrans-92.7-1.1173.4-76.9-174.3167-153.70112.7E114 D170 D174 C175 C176E114-K172 IonicContact OE1-NZ 2.94Å; E114-K172 PolarHBondContact OE1-NZ 3.33Å; E114-K172 IonicContact OE2-NZ 2.77Å; E114-K172 PolarHBondContact OE2-NZ 3.1Å; D170-K172 PolarHBondContact O-N 2.91Å; D170-K172 VanDerWaalsContact O-N 3.1Å; D170-K172 WeakPolarHBondContact OD1-CA 3.49Å; D170-K172 WeakPolarHBondContact OD1-CB 3.42Å; D170-K172 PolarHBondContact OD1-N 2.9Å; K172-D174 PolarHBondContact O-N 2.84Å; K172-C175 WeakPolarHBondContact O-CA 3.49Å; K172-C175 VanDerWaalsContact O-CB 3.31Å; K172-C175 WeakPolarHBondContact O-CB 3.47Å; K172-C175 PolarHBondContact O-N 3.14Å; K172-C176 PolarHBondContact O-SG 3.28Å
173K85.7Confident87Confident74 Ų7458 Ų5832%0.32231%0.311SS..G310 helixtrans-54.4-38.8-179.680-170-159.1-46.20112.5N165 R168 D170 C175 C176N165-K173 WeakPolarHBondContact CA-O 3.16Å; N165-K173 HydrophobicContact CB-CG 4.35Å; N165-K173 WeakPolarHBondContact O-CB 3.28Å; R168-K173 HydrophobicContact CB-CB 4.13Å; R168-K173 VanDerWaalsContact O-CB 3.3Å; R168-K173 WeakPolarHBondContact O-CB 3.22Å; D170-K173 WeakPolarHBondContact O-CB 3.42Å; D170-K173 PolarHBondContact O-N 3.49Å; D170-K173 VanDerWaalsContact O-N 3.11Å; D170-K173 PolarHBondContact OD1-N 2.84Å; K173-C175 PolarHBondContact O-N 2.8Å; K173-C176 VanDerWaalsContact O-CB 3.29Å; K173-C176 WeakPolarHBondContact O-CB 3.5Å; K173-C176 PolarHBondContact O-N 3.43Å
174D88.9Confident86.1Confident56 Ų5663.6 Ų63.630%0.29933%0.334SS..G310 helixtrans-81.23.3179.9-41.1-68.8000112.8M163 K172 T194M163-D174 WeakPolarHBondContact CE-O 3.11Å; K172-D174 PolarHBondContact O-N 2.84Å; D174-T194 VanDerWaalsContact C-OG1 3.3Å; D174-T194 WeakPolarHBondContact O-CB 3.27Å; D174-T194 VanDerWaalsContact O-CG2 3.29Å; D174-T194 WeakPolarHBondContact O-CG2 3.4Å; D174-T194 PolarHBondContact O-OG1 2.85Å
175C92.8Very high85.8Confident10 Ų1066.1 Ų66.17%0.06834%0.341CS..G310 helixtrans-100.89.8169.8-47.80000111.9K172 K173 C190 A191 S193 T194 A197K172-C175 WeakPolarHBondContact O-CA 3.49Å; K172-C175 VanDerWaalsContact O-CB 3.31Å; K172-C175 WeakPolarHBondContact O-CB 3.47Å; K172-C175 PolarHBondContact O-N 3.14Å; K173-C175 PolarHBondContact O-N 2.8Å; C175-C190 WeakPolarHBondContact O-CA 3.27Å; C175-A191 PolarHBondContact O-N 3.01Å; C175-S193 VanDerWaalsContact SG-C 3.5Å; C175-T194 PolarHBondContact SG-N 3.26Å; C175-T194 VanDerWaalsContact SG-N 3.4Å; C175-A197 WeakPolarHBondContact O-CB 3.39Å
176C92.6Very high85.9Confident0 Ų064.9 Ų64.90%034%0.336CS..EExtended strand (participates in β ladder)trans-104.9139.8-172.4-61.60000112.8N164 L167 R168 K172 K173 F189 C190N164-C176 PolarHBondContact N-O 2.82Å; N164-C176 VanDerWaalsContact O-CB 3.3Å; N164-C176 WeakPolarHBondContact O-CB 3.24Å; L167-C176 HydrophobicContact CB-CB 4.17Å; L167-C176 HydrophobicContact CD1-CB 4.11Å; R168-C176 WeakPolarHBondContact CD-SG 3.37Å; K172-C176 PolarHBondContact O-SG 3.28Å; K173-C176 VanDerWaalsContact O-CB 3.29Å; K173-C176 WeakPolarHBondContact O-CB 3.5Å; K173-C176 PolarHBondContact O-N 3.43Å; C176-F189 VanDerWaalsContact CA-O 3.31Å; C176-F189 WeakPolarHBondContact CA-O 3.41Å; C176-C190 VanDerWaalsContact SG-SG 3.67Å
177F95.1Very high86.2Confident0 Ų060.3 Ų60.30%031%0.307CS..EExtended strand (participates in β ladder)trans-140.9163.9175.270-89.1000110.8L113 V161 K162 M163 I179 F189 A197 W200 V201 I204L113-F177 HydrophobicContact CD1-CE1 4.17Å; L113-F177 HydrophobicContact CD1-CZ 3.72Å; L113-F177 HydrophobicContact CD2-CE1 4.13Å; V161-F177 HydrophobicContact CG2-CD2 4.21Å; K162-F177 CarbonylContact O-C 3.57Å; K162-F177 WeakPolarHBondContact O-CA 3.32Å; K162-F177 WeakPolarHBondContact O-CB 3.37Å; M163-F177 HydrophobicContact SD-CB 4.05Å; F177-I179 HydrophobicContact CD2-CG1 4.44Å; F177-I179 HydrophobicContact CE2-CD1 4.46Å; F177-I179 HydrophobicContact CE2-CG1 4.23Å; F177-F189 HydrophobicContact CD1-CB 4.16Å; F177-F189 HydrophobicContact CD2-CB 4.35Å; F177-F189 HydrophobicContact CD2-CD2 4.4Å; F177-F189 HydrophobicContact CE1-CB 3.75Å; F177-F189 HydrophobicContact CE2-CB 3.96Å; F177-F189 AromaticContact CE2-CD2 3.82Å; F177-F189 HydrophobicContact CE2-CD2 3.82Å; F177-F189 HydrophobicContact CE2-CG 4.18Å; F177-F189 HydrophobicContact CG-CB 4.46Å; F177-F189 HydrophobicContact CZ-CB 3.65Å; F177-F189 HydrophobicContact CZ-CD2 4.19Å; F177-F189 HydrophobicContact CZ-CG 4.09Å; F177-F189 PolarHBondContact N-O 2.85Å; F177-F189 PolarHBondContact O-N 2.67Å; F177-F189 VanDerWaalsContact O-O 3.07Å; F177-A197 HydrophobicContact CD1-CB 4.06Å; F177-W200 HydrophobicContact CE1-CB 3.77Å; F177-W200 HydrophobicContact CE1-CG 4.16Å; F177-W200 HydrophobicContact CE2-CB 4.34Å; F177-W200 HydrophobicContact CZ-CB 3.65Å; F177-W200 HydrophobicContact CZ-CG 4.02Å; F177-V201 HydrophobicContact CB-CG2 3.51Å; F177-V201 HydrophobicContact CD2-CG2 4.09Å; F177-V201 HydrophobicContact CG-CG2 3.84Å; F177-I204 HydrophobicContact CE2-CD1 3.95Å
178E93.9Very high86.7Confident15 Ų1561 Ų617%0.0731%0.31CS..EExtended strand (participates in β ladder)trans-137.2146.3174.272.8-175.3-149.800112.3V161 K162 N164 L167 V186 Y187 Q188V161-E178 WeakPolarHBondContact CA-O 3.38Å; K162-E178 HydrophobicContact CD-CG 4.43Å; K162-E178 VanDerWaalsContact CE-CD 3.43Å; K162-E178 WeakPolarHBondContact CE-OE1 3.36Å; K162-E178 HydrophobicContact CG-CG 4.05Å; K162-E178 PolarHBondContact N-O 2.89Å; K162-E178 IonicContact NZ-OE1 3.22Å; K162-E178 PolarHBondContact NZ-OE1 3.14Å; K162-E178 PolarHBondContact O-N 2.87Å; N164-E178 HydrophobicContact CB-CG 4.33Å; N164-E178 PolarHBondContact ND2-OE2 2.84Å; L167-E178 HydrophobicContact CD1-CB 4.43Å; E178-V186 HydrophobicContact CB-CG1 3.96Å; E178-V186 HydrophobicContact CG-CG1 4.08Å; E178-Y187 CarbonylContact C-O 3.52Å; E178-Y187 VanDerWaalsContact CA-O 3.24Å; E178-Y187 WeakPolarHBondContact CA-O 3.42Å; E178-Y187 WeakPolarHBondContact CB-O 3.44Å; E178-Q188 HydrophobicContact CB-CG 3.6Å; E178-Q188 PolarHBondContact OE2-NE2 2.81Å
179I93.8Very high87.4Confident0 Ų059.2 Ų59.20%030%0.303CS..EExtended strand (participates in β ladder)trans-109.6114172.7-39.5177000106.5F139 F154 Y159 N160 V161 F177 Y187 F189 I204F139-I179 HydrophobicContact CD2-CD1 4.06Å; F139-I179 HydrophobicContact CE2-CD1 4.08Å; F154-I179 HydrophobicContact CE2-CD1 4.07Å; F154-I179 HydrophobicContact CZ-CD1 4.09Å; Y159-I179 HydrophobicContact CD2-CG2 3.91Å; N160-I179 CarbonylContact O-C 3.54Å; N160-I179 WeakPolarHBondContact O-CA 3.31Å; V161-I179 HydrophobicContact CG2-CG1 4.13Å; F177-I179 HydrophobicContact CD2-CG1 4.44Å; F177-I179 HydrophobicContact CE2-CD1 4.46Å; F177-I179 HydrophobicContact CE2-CG1 4.23Å; I179-Y187 PolarHBondContact N-O 2.82Å; I179-Y187 PolarHBondContact O-N 3.07Å; I179-F189 HydrophobicContact CD1-CD2 4.34Å; I179-F189 HydrophobicContact CD1-CE2 3.79Å; I179-F189 HydrophobicContact CG1-CD2 4.31Å; I179-F189 HydrophobicContact CG1-CE2 4.08Å; I179-I204 HydrophobicContact CD1-CD1 3.79Å; I179-I204 HydrophobicContact CG1-CD1 4.34Å
180S90.8Very high88.1Confident24 Ų2449.1 Ų49.117%0.16826%0.259CS..EExtended strand (participates in β ladder)trans-104.7120.7178.7520000110.9N160N160-S180 PolarHBondContact N-O 2.82Å; N160-S180 PolarHBondContact O-N 2.83Å; N160-S180 PolarHBondContact O-OG 3.48Å
181A88.3Confident88.8Confident8 Ų846 Ų467%0.06624%0.243CC..  trans-75.1153.3171.300000111.4Y159 D183 K184 R185Y159-A181 HydrophobicContact CD1-CB 4Å; Y159-A181 HydrophobicContact CD2-CB 3.83Å; Y159-A181 HydrophobicContact CE1-CB 3.66Å; Y159-A181 HydrophobicContact CE2-CB 3.48Å; Y159-A181 VanDerWaalsContact CE2-CB 3.48Å; Y159-A181 HydrophobicContact CG-CB 4.08Å; A181-D183 WeakPolarHBondContact CB-OD1 3.49Å; A181-D183 PolarHBondContact O-N 2.86Å; A181-K184 PolarHBondContact O-N 2.88Å; A181-K184 VanDerWaalsContact O-N 3.15Å; A181-R185 HydrophobicContact CB-CB 4.08Å; A181-R185 VanDerWaalsContact CB-O 3.27Å; A181-R185 WeakPolarHBondContact CB-O 3.36Å; A181-R185 PolarHBondContact N-O 2.82Å
182P82.3Confident89.3Confident102 Ų10244.5 Ų44.566%0.66223%0.233SC*.THydrogen-bonded Turntrans-66.9-1917927.1-34.5000113.5K184P182-K184 PolarHBondContact O-N 2.92Å
183D80.6Confident89.9Confident104 Ų10443.6 Ų43.656%0.55624%0.235SC*.THydrogen-bonded Turntrans-78.8-1175.375.6-15.8000114.1A181 R185A181-D183 WeakPolarHBondContact CB-OD1 3.49Å; A181-D183 PolarHBondContact O-N 2.86Å; D183-R185 WeakPolarHBondContact OD1-CB 3.4Å; D183-R185 PolarHBondContact OD1-N 3.04Å
184K73.8Confident90.2Very high192 Ų19242.6 Ų42.684%0.83524%0.235SC*.SBendtrans80.47.6-173-46.7163.4-174.5168.20115.9A181 P182 V186A181-K184 PolarHBondContact O-N 2.88Å; A181-K184 VanDerWaalsContact O-N 3.15Å; P182-K184 PolarHBondContact O-N 2.92Å; K184-V186 PolarHBondContact O-N 3.13Å
185R84Confident90.4Very high79 Ų7946.4 Ų46.430%0.29825%0.249SC..  trans-70.5123.7167.7-168.2166.3172.7156.8-8.3108.4E88 A181 D183 Y187E88-R185 IonicContact OE1-CZ 3.94Å; E88-R185 IonicContact OE1-NH1 3.69Å; E88-R185 PolarHBondContact OE1-NH1 3.27Å; E88-R185 IonicContact OE1-NH2 3.6Å; E88-R185 PolarHBondContact OE1-NH2 3.11Å; A181-R185 HydrophobicContact CB-CB 4.08Å; A181-R185 VanDerWaalsContact CB-O 3.27Å; A181-R185 WeakPolarHBondContact CB-O 3.36Å; A181-R185 PolarHBondContact N-O 2.82Å; D183-R185 WeakPolarHBondContact OD1-CB 3.4Å; D183-R185 PolarHBondContact OD1-N 3.04Å; R185-Y187 HydrophobicContact CG-CE2 3.93Å; R185-Y187 PolarHBondContact NE-OH 3.37Å; R185-Y187 PolarHBondContact NH2-OH 3.17Å
186V90.1Very high90.5Very high64 Ų6447.5 Ų47.539%0.38825%0.253SS..EExtended strand (participates in β ladder)trans-120.4125.2-179.5-170.90000110.2E178 K184 Q188E178-V186 HydrophobicContact CB-CG1 3.96Å; E178-V186 HydrophobicContact CG-CG1 4.08Å; K184-V186 PolarHBondContact O-N 3.13Å; V186-Q188 HydrophobicContact CG1-CG 4.15Å
187Y91.6Very high90.6Very high12 Ų1247.5 Ų47.55%0.04725%0.253CS..EExtended strand (participates in β ladder)trans-102.9120.1176.2-61.7-92.3000109.3F154 Y159 E178 I179 R185F154-Y187 HydrophobicContact CB-CE2 4.28Å; F154-Y187 WeakPolarHBondContact CB-OH 3.41Å; F154-Y187 HydrophobicContact CD1-CD1 4.03Å; F154-Y187 HydrophobicContact CD1-CD2 4.38Å; F154-Y187 AromaticContact CD1-CE1 3.48Å; F154-Y187 HydrophobicContact CD1-CE1 3.48Å; F154-Y187 VanDerWaalsContact CD1-CE1 3.48Å; F154-Y187 AromaticContact CD1-CE2 3.88Å; F154-Y187 HydrophobicContact CD1-CE2 3.88Å; F154-Y187 HydrophobicContact CD1-CG 4.43Å; F154-Y187 AromaticContact CD1-CZ 3.36Å; F154-Y187 HydrophobicContact CD2-CD2 4.15Å; F154-Y187 AromaticContact CD2-CE2 3.79Å; F154-Y187 HydrophobicContact CD2-CE2 3.79Å; F154-Y187 AromaticContact CE1-CD1 3.58Å; F154-Y187 HydrophobicContact CE1-CD1 3.58Å; F154-Y187 HydrophobicContact CE1-CD2 4.14Å; F154-Y187 AromaticContact CE1-CE1 3.54Å; F154-Y187 HydrophobicContact CE1-CE1 3.54Å; F154-Y187 HydrophobicContact CE1-CE2 4.1Å; F154-Y187 AromaticContact CE1-CG 3.87Å; F154-Y187 HydrophobicContact CE1-CG 3.87Å; F154-Y187 AromaticContact CE1-CZ 3.78Å; F154-Y187 AromaticContact CE2-CD2 3.88Å; F154-Y187 HydrophobicContact CE2-CD2 3.88Å; F154-Y187 AromaticContact CE2-CE2 4Å; F154-Y187 HydrophobicContact CE2-CE2 4Å; F154-Y187 HydrophobicContact CE2-CG 4.24Å; F154-Y187 HydrophobicContact CG-CD2 4.4Å; F154-Y187 HydrophobicContact CG-CE1 4.17Å; F154-Y187 AromaticContact CG-CE2 3.72Å; F154-Y187 HydrophobicContact CG-CE2 3.72Å; F154-Y187 AromaticContact CG-CZ 3.56Å; F154-Y187 AromaticContact CZ-CD1 3.96Å; F154-Y187 HydrophobicContact CZ-CD1 3.96Å; F154-Y187 AromaticContact CZ-CD2 3.87Å; F154-Y187 HydrophobicContact CZ-CD2 3.87Å; F154-Y187 HydrophobicContact CZ-CE1 4.25Å; F154-Y187 HydrophobicContact CZ-CE2 4.15Å; F154-Y187 AromaticContact CZ-CG 3.75Å; F154-Y187 HydrophobicContact CZ-CG 3.75Å; Y159-Y187 HydrophobicContact CE2-CD2 4.46Å; Y159-Y187 HydrophobicContact CE2-CE2 4.05Å; E178-Y187 CarbonylContact C-O 3.52Å; E178-Y187 VanDerWaalsContact CA-O 3.24Å; E178-Y187 WeakPolarHBondContact CA-O 3.42Å; E178-Y187 WeakPolarHBondContact CB-O 3.44Å; I179-Y187 PolarHBondContact N-O 2.82Å; I179-Y187 PolarHBondContact O-N 3.07Å; R185-Y187 HydrophobicContact CG-CE2 3.93Å; R185-Y187 PolarHBondContact NE-OH 3.37Å; R185-Y187 PolarHBondContact NH2-OH 3.17Å
188Q93.2Very high90.5Very high36 Ų3651.4 Ų51.417%0.16827%0.271CS..EExtended strand (participates in β ladder)trans-111.2131-174.8-78.2164.9-7.900110.6R116 L167 E178 V186R116-Q188 HydrophobicContact CB-CB 3.85Å; R116-Q188 PolarHBondContact N-O 3.24Å; L167-Q188 HydrophobicContact CD1-CB 4.01Å; L167-Q188 HydrophobicContact CD1-CG 3.76Å; L167-Q188 VanDerWaalsContact CD2-CD 3.42Å; L167-Q188 HydrophobicContact CD2-CG 3.98Å; L167-Q188 VanDerWaalsContact CD2-NE2 3.32Å; E178-Q188 HydrophobicContact CB-CG 3.6Å; E178-Q188 PolarHBondContact OE2-NE2 2.81Å; V186-Q188 HydrophobicContact CG1-CG 4.15Å
189F95Very high90.5Very high0 Ų054 Ų540%028%0.283CS..EExtended strand (participates in β ladder)trans-133.4150.5-172.6-62.4-83.7000111.4L113 E114 K115 F139 F154 C176 F177 I179L113-F189 HydrophobicContact CB-CD1 4.1Å; L113-F189 HydrophobicContact CD1-CB 4.27Å; L113-F189 HydrophobicContact CD1-CD1 3.94Å; L113-F189 HydrophobicContact CD1-CG 4.21Å; E114-F189 CarbonylContact O-C 3.5Å; E114-F189 WeakPolarHBondContact O-CA 3.31Å; K115-F189 HydrophobicContact CB-CD1 3.83Å; K115-F189 HydrophobicContact CB-CE1 3.78Å; K115-F189 HydrophobicContact CD-CE1 3.93Å; K115-F189 HydrophobicContact CD-CZ 4.39Å; K115-F189 HydrophobicContact CG-CD1 4.04Å; K115-F189 HydrophobicContact CG-CE1 3.66Å; K115-F189 HydrophobicContact CG-CZ 4.32Å; F139-F189 HydrophobicContact CD1-CZ 4.28Å; F139-F189 AromaticContact CE1-CE1 3.88Å; F139-F189 HydrophobicContact CE1-CE1 3.88Å; F139-F189 HydrophobicContact CE1-CE2 4.29Å; F139-F189 AromaticContact CE1-CZ 3.52Å; F139-F189 HydrophobicContact CE1-CZ 3.52Å; F139-F189 HydrophobicContact CZ-CE1 4.14Å; F139-F189 HydrophobicContact CZ-CE2 4.29Å; F139-F189 AromaticContact CZ-CZ 3.87Å; F139-F189 HydrophobicContact CZ-CZ 3.87Å; F154-F189 HydrophobicContact CZ-CE2 4.39Å; F154-F189 HydrophobicContact CZ-CZ 4.25Å; C176-F189 VanDerWaalsContact CA-O 3.31Å; C176-F189 WeakPolarHBondContact CA-O 3.41Å; F177-F189 HydrophobicContact CD1-CB 4.16Å; F177-F189 HydrophobicContact CD2-CB 4.35Å; F177-F189 HydrophobicContact CD2-CD2 4.4Å; F177-F189 HydrophobicContact CE1-CB 3.75Å; F177-F189 HydrophobicContact CE2-CB 3.96Å; F177-F189 AromaticContact CE2-CD2 3.82Å; F177-F189 HydrophobicContact CE2-CD2 3.82Å; F177-F189 HydrophobicContact CE2-CG 4.18Å; F177-F189 HydrophobicContact CG-CB 4.46Å; F177-F189 HydrophobicContact CZ-CB 3.65Å; F177-F189 HydrophobicContact CZ-CD2 4.19Å; F177-F189 HydrophobicContact CZ-CG 4.09Å; F177-F189 PolarHBondContact N-O 2.85Å; F177-F189 PolarHBondContact O-N 2.67Å; F177-F189 VanDerWaalsContact O-O 3.07Å; I179-F189 HydrophobicContact CD1-CD2 4.34Å; I179-F189 HydrophobicContact CD1-CE2 3.79Å; I179-F189 HydrophobicContact CG1-CD2 4.31Å; I179-F189 HydrophobicContact CG1-CE2 4.08Å
190C94.1Very high90.6Very high1 Ų154 Ų541%0.00728%0.283CS..EExtended strand (participates in β ladder)trans-129.6124171.3176.90000108.9E114 W127 R168 C175 C176E114-C190 HydrophobicContact CB-CB 4.08Å; E114-C190 PolarHBondContact N-O 2.9Å; E114-C190 PolarHBondContact O-N 2.73Å; W127-C190 HydrophobicContact CE3-CB 3.92Å; W127-C190 HydrophobicContact CH2-CB 4.32Å; W127-C190 HydrophobicContact CZ3-CB 3.69Å; R168-C190 PolarHBondContact NH1-SG 3.15Å; C175-C190 WeakPolarHBondContact O-CA 3.27Å; C176-C190 VanDerWaalsContact SG-SG 3.67Å
191A95.3Very high90.8Very high3 Ų353.9 Ų53.93%0.02528%0.281CS..  trans-82.1179176.100000111.7L113 C175 S193 E196 A197L113-A191 HydrophobicContact CD2-CB 3.82Å; C175-A191 PolarHBondContact O-N 3.01Å; A191-S193 VanDerWaalsContact C-N 3.34Å; A191-E196 HydrophobicContact CB-CB 3.96Å; A191-E196 HydrophobicContact CB-CG 4.13Å; A191-A197 HydrophobicContact CB-CB 3.86Å
192S92.4Very high91Very high89 Ų8960.5 Ų60.562%0.62231%0.309SS*.SBendtrans-73.9-26.5173.472.30000112.9E196S192-E196 WeakPolarHBondContact CA-OE2 3.36Å; S192-E196 VanDerWaalsContact CB-OE2 3.22Å; S192-E196 WeakPolarHBondContact CB-OE2 3.48Å; S192-E196 PolarHBondContact N-OE2 3.47Å; S192-E196 PolarHBondContact OG-OE2 3.39Å
193S93.5Very high91.4Very high47 Ų4758.1 Ų58.133%0.32929%0.289SS..SBendtrans-149161.4-179.467.10000112C175 A191 K195 E196 A197C175-S193 VanDerWaalsContact SG-C 3.5Å; A191-S193 VanDerWaalsContact C-N 3.34Å; S193-K195 PolarHBondContact O-N 3.24Å; S193-E196 PolarHBondContact O-N 2.76Å; S193-E196 WeakPolarHBondContact OG-CB 3.42Å; S193-E196 PolarHBondContact OG-N 2.64Å; S193-A197 PolarHBondContact O-N 2.76Å
194T92.9Very high92Very high52 Ų5253.2 Ų53.232%0.31926%0.262SS..Hα-helixtrans-58.5-45.1175.1-61.80000112.2M163 D174 C175 E196 A197 E198M163-T194 HydrophobicContact CE-CG2 4.49Å; D174-T194 VanDerWaalsContact C-OG1 3.3Å; D174-T194 WeakPolarHBondContact O-CB 3.27Å; D174-T194 VanDerWaalsContact O-CG2 3.29Å; D174-T194 WeakPolarHBondContact O-CG2 3.4Å; D174-T194 PolarHBondContact O-OG1 2.85Å; C175-T194 PolarHBondContact SG-N 3.26Å; C175-T194 VanDerWaalsContact SG-N 3.4Å; T194-E196 VanDerWaalsContact C-N 3.32Å; T194-E196 PolarHBondContact O-N 3.4Å; T194-A197 WeakPolarHBondContact O-CB 3.45Å; T194-A197 PolarHBondContact O-N 3.01Å; T194-A197 VanDerWaalsContact O-N 3.13Å; T194-E198 HydrophobicContact CG2-CG 4.48Å; T194-E198 WeakPolarHBondContact CG2-OE1 3.04Å; T194-E198 WeakPolarHBondContact O-CG 2.85Å; T194-E198 PolarHBondContact O-N 3.32Å
195K93.4Very high92.8Very high137 Ų13746.6 Ų46.660%0.59624%0.236SC*.Hα-helixtrans-59.1-42.5176.1-171.4-178-174.8-94.90112S193 A197 E198 E199S193-K195 PolarHBondContact O-N 3.24Å; K195-A197 VanDerWaalsContact C-N 3.34Å; K195-A197 PolarHBondContact O-N 3.5Å; K195-E198 PolarHBondContact O-N 2.72Å; K195-E199 IonicContact NZ-OE1 2.9Å; K195-E199 PolarHBondContact NZ-OE1 2.89Å; K195-E199 WeakPolarHBondContact O-CG 3.24Å; K195-E199 PolarHBondContact O-N 2.99Å
196E94.5Very high93Very high33 Ų3348 Ų4815%0.15425%0.245CC..Hα-helixtrans-64.2-40.9177.3-166.6-159.5166.100111.1A191 S192 S193 T194 E199 W200A191-E196 HydrophobicContact CB-CB 3.96Å; A191-E196 HydrophobicContact CB-CG 4.13Å; S192-E196 WeakPolarHBondContact CA-OE2 3.36Å; S192-E196 VanDerWaalsContact CB-OE2 3.22Å; S192-E196 WeakPolarHBondContact CB-OE2 3.48Å; S192-E196 PolarHBondContact N-OE2 3.47Å; S192-E196 PolarHBondContact OG-OE2 3.39Å; S193-E196 PolarHBondContact O-N 2.76Å; S193-E196 WeakPolarHBondContact OG-CB 3.42Å; S193-E196 PolarHBondContact OG-N 2.64Å; T194-E196 VanDerWaalsContact C-N 3.32Å; T194-E196 PolarHBondContact O-N 3.4Å; E196-E199 PolarHBondContact O-N 2.81Å; E196-W200 PolarHBondContact O-N 2.92Å; E196-W200 PolarHBondContact OE1-NE1 3.48Å
197A93.7Very high92.9Very high0 Ų045 Ų450%023%0.227CC..Hα-helixtrans-62.4-44.7174.800000112.1M163 C175 F177 A191 S193 T194 K195 E199 W200 V201M163-A197 HydrophobicContact CE-CB 3.82Å; M163-A197 HydrophobicContact SD-CB 3.86Å; C175-A197 WeakPolarHBondContact O-CB 3.39Å; F177-A197 HydrophobicContact CD1-CB 4.06Å; A191-A197 HydrophobicContact CB-CB 3.86Å; S193-A197 PolarHBondContact O-N 2.76Å; T194-A197 WeakPolarHBondContact O-CB 3.45Å; T194-A197 PolarHBondContact O-N 3.01Å; T194-A197 VanDerWaalsContact O-N 3.13Å; K195-A197 VanDerWaalsContact C-N 3.34Å; K195-A197 PolarHBondContact O-N 3.5Å; A197-E199 PolarHBondContact O-N 2.82Å; A197-W200 PolarHBondContact O-N 3.19Å; A197-V201 WeakPolarHBondContact O-CG2 3.3Å; A197-V201 PolarHBondContact O-N 3.47Å
198E93.9Very high92.7Very high82 Ų8245.9 Ų45.938%0.38323%0.232SC..Hα-helixtrans-60.1-42.7174.1-71.1169-170.700112.2M163 T194 K195 V201 K202M163-E198 HydrophobicContact CE-CG 4.23Å; T194-E198 HydrophobicContact CG2-CG 4.48Å; T194-E198 WeakPolarHBondContact CG2-OE1 3.04Å; T194-E198 WeakPolarHBondContact O-CG 2.85Å; T194-E198 PolarHBondContact O-N 3.32Å; K195-E198 PolarHBondContact O-N 2.72Å; E198-V201 PolarHBondContact O-N 3.03Å; E198-K202 WeakPolarHBondContact O-CB 3.35Å; E198-K202 VanDerWaalsContact O-CG 3.28Å; E198-K202 WeakPolarHBondContact O-CG 3.49Å; E198-K202 PolarHBondContact O-N 2.78Å
199E94.5Very high92.2Very high68 Ų6849.5 Ų49.532%0.31824%0.244SC..Hα-helixtrans-63.8-37.9174.5-72.7173.6-162.500112.5K109 K195 E196 A197 Q203K109-E199 IonicContact NZ-OE2 2.72Å; K109-E199 PolarHBondContact NZ-OE2 3.27Å; K195-E199 IonicContact NZ-OE1 2.9Å; K195-E199 PolarHBondContact NZ-OE1 2.89Å; K195-E199 WeakPolarHBondContact O-CG 3.24Å; K195-E199 PolarHBondContact O-N 2.99Å; E196-E199 PolarHBondContact O-N 2.81Å; A197-E199 PolarHBondContact O-N 2.82Å; E199-Q203 WeakPolarHBondContact O-CB 3.35Å; E199-Q203 PolarHBondContact O-N 3.48Å
200W95.2Very high90.9Very high1 Ų153.1 Ų53.10%0.00426%0.263CS..Hα-helixtrans-65.6-47.2173.9-85.2107.9000111.4K109 L113 C132 L134 F139 F177 E196 A197 Q203 I204K109-W200 HydrophobicContact CB-CE3 4.36Å; K109-W200 HydrophobicContact CB-CH2 4.27Å; K109-W200 HydrophobicContact CB-CZ3 4.06Å; K109-W200 HydrophobicContact CD-CD2 3.67Å; K109-W200 HydrophobicContact CD-CE3 3.87Å; K109-W200 HydrophobicContact CD-CG 4.03Å; K109-W200 HydrophobicContact CD-CZ2 4.43Å; K109-W200 HydrophobicContact CD-CZ3 4.33Å; K109-W200 HydrophobicContact CG-CD2 4.18Å; K109-W200 HydrophobicContact CG-CE3 4.18Å; K109-W200 HydrophobicContact CG-CH2 4.08Å; K109-W200 HydrophobicContact CG-CZ2 4.07Å; K109-W200 HydrophobicContact CG-CZ3 4.12Å; K109-W200 WeakPolarHBondContact O-CH2 3.29Å; L113-W200 HydrophobicContact CD1-CD2 4.13Å; L113-W200 HydrophobicContact CD1-CZ2 4.14Å; L113-W200 HydrophobicContact CG-CZ2 4.33Å; C132-W200 HydrophobicContact CB-CH2 4.3Å; L134-W200 HydrophobicContact CB-CZ3 4.44Å; F139-W200 HydrophobicContact CE2-CE3 4.23Å; F139-W200 AromaticContact CE2-CZ3 3.87Å; F139-W200 HydrophobicContact CE2-CZ3 3.87Å; F139-W200 HydrophobicContact CZ-CZ3 4.33Å; F177-W200 HydrophobicContact CE1-CB 3.77Å; F177-W200 HydrophobicContact CE1-CG 4.16Å; F177-W200 HydrophobicContact CE2-CB 4.34Å; F177-W200 HydrophobicContact CZ-CB 3.65Å; F177-W200 HydrophobicContact CZ-CG 4.02Å; E196-W200 PolarHBondContact O-N 2.92Å; E196-W200 PolarHBondContact OE1-NE1 3.48Å; A197-W200 PolarHBondContact O-N 3.19Å; W200-Q203 PolarHBondContact O-N 2.88Å; W200-I204 HydrophobicContact CE3-CD1 4.32Å; W200-I204 WeakPolarHBondContact O-CB 3.29Å; W200-I204 VanDerWaalsContact O-CD1 3.31Å; W200-I204 WeakPolarHBondContact O-CD1 3.41Å; W200-I204 WeakPolarHBondContact O-CG1 3.35Å; W200-I204 PolarHBondContact O-N 2.9Å
201V94.1Very high89.1Confident22 Ų2258.4 Ų58.413%0.13329%0.289CS..Hα-helixtrans-59.4-48.1176.7172.50000110.7V161 M163 F177 A197 E198 Q203 I204 D205V161-V201 HydrophobicContact CG1-CG1 4.25Å; V161-V201 HydrophobicContact CG2-CB 4.35Å; V161-V201 HydrophobicContact CG2-CG1 4.26Å; V161-V201 HydrophobicContact CG2-CG2 4.05Å; M163-V201 HydrophobicContact CG-CG2 4.09Å; M163-V201 HydrophobicContact SD-CG2 3.71Å; F177-V201 HydrophobicContact CB-CG2 3.51Å; F177-V201 HydrophobicContact CD2-CG2 4.09Å; F177-V201 HydrophobicContact CG-CG2 3.84Å; A197-V201 WeakPolarHBondContact O-CG2 3.3Å; A197-V201 PolarHBondContact O-N 3.47Å; E198-V201 PolarHBondContact O-N 3.03Å; V201-Q203 PolarHBondContact O-N 2.5Å; V201-I204 PolarHBondContact O-N 3.25Å; V201-D205 VanDerWaalsContact O-CB 3.31Å; V201-D205 WeakPolarHBondContact O-CB 3.15Å; V201-D205 PolarHBondContact O-N 3.24Å
202K92.3Very high87.1Confident146 Ų14661.3 Ų61.364%0.63531%0.309SS*.Hα-helixtrans-61.7-42.3178-74.3177178.2-1740112.9E198 F206E198-K202 WeakPolarHBondContact O-CB 3.35Å; E198-K202 VanDerWaalsContact O-CG 3.28Å; E198-K202 WeakPolarHBondContact O-CG 3.49Å; E198-K202 PolarHBondContact O-N 2.78Å; K202-F206 WeakPolarHBondContact O-CB 3.37Å; K202-F206 PolarHBondContact O-N 3.31Å
203Q91.5Very high85Confident53 Ų5360.2 Ų60.225%0.24831%0.312CS..Hα-helixtrans-68-38.8179-170.5676900112.3F108 K109 L134 E199 W200 V201 V207F108-Q203 HydrophobicContact CB-CG 4.05Å; K109-Q203 HydrophobicContact CB-CG 3.99Å; K109-Q203 HydrophobicContact CD-CB 4.17Å; L134-Q203 HydrophobicContact CD2-CG 4.37Å; E199-Q203 WeakPolarHBondContact O-CB 3.35Å; E199-Q203 PolarHBondContact O-N 3.48Å; W200-Q203 PolarHBondContact O-N 2.88Å; V201-Q203 PolarHBondContact O-N 2.5Å; Q203-V207 WeakPolarHBondContact O-CG2 3.47Å; Q203-V207 PolarHBondContact O-N 3.43Å
204I92.3Very high82.8Confident0 Ų063.6 Ų63.60%033%0.326CS..Hα-helixtrans-69.2-45.3176.8-64159.9000109.6L134 F139 I156 V161 F177 I179 W200 V201 F206 V207 L208L134-I204 HydrophobicContact CD2-CG1 4.01Å; F139-I204 HydrophobicContact CE2-CD1 4.13Å; I156-I204 HydrophobicContact CD1-CG2 4Å; V161-I204 HydrophobicContact CB-CB 4.26Å; V161-I204 HydrophobicContact CB-CG2 3.72Å; V161-I204 HydrophobicContact CG1-CB 3.97Å; V161-I204 HydrophobicContact CG1-CG2 3.72Å; V161-I204 HydrophobicContact CG2-CB 4.16Å; V161-I204 HydrophobicContact CG2-CD1 4.12Å; V161-I204 HydrophobicContact CG2-CG2 4.02Å; F177-I204 HydrophobicContact CE2-CD1 3.95Å; I179-I204 HydrophobicContact CD1-CD1 3.79Å; I179-I204 HydrophobicContact CG1-CD1 4.34Å; W200-I204 HydrophobicContact CE3-CD1 4.32Å; W200-I204 WeakPolarHBondContact O-CB 3.29Å; W200-I204 VanDerWaalsContact O-CD1 3.31Å; W200-I204 WeakPolarHBondContact O-CD1 3.41Å; W200-I204 WeakPolarHBondContact O-CG1 3.35Å; W200-I204 PolarHBondContact O-N 2.9Å; V201-I204 PolarHBondContact O-N 3.25Å; I204-F206 VanDerWaalsContact C-N 3.33Å; I204-F206 PolarHBondContact O-N 2.78Å; I204-V207 PolarHBondContact O-N 2.94Å; I204-L208 HydrophobicContact CG2-CD1 3.89Å; I204-L208 HydrophobicContact CG2-CG 4.32Å; I204-L208 VanDerWaalsContact O-CG 3.23Å; I204-L208 WeakPolarHBondContact O-CG 3.32Å; I204-L208 PolarHBondContact O-N 3.26Å
205D90.6Very high80.6Confident53 Ų5368 Ų6828%0.28335%0.346SS..Hα-helixtrans-59.5-41.7176.5-171.770.2000112V161 V201 V207 L208 R209V161-D205 HydrophobicContact CG1-CB 3.96Å; V201-D205 VanDerWaalsContact O-CB 3.31Å; V201-D205 WeakPolarHBondContact O-CB 3.15Å; V201-D205 PolarHBondContact O-N 3.24Å; D205-V207 PolarHBondContact O-N 3.27Å; D205-L208 PolarHBondContact O-N 2.87Å; D205-R209 WeakPolarHBondContact O-CB 3.31Å; D205-R209 VanDerWaalsContact O-CG 3.26Å; D205-R209 WeakPolarHBondContact O-CG 3.45Å; D205-R209 PolarHBondContact O-N 2.95Å; D205-R209 WeakPolarHBondContact OD2-CD 3.48Å; D205-R209 IonicContact OD2-NH1 2.74Å
206F89.2Confident78.2Confident109 Ų10964.9 Ų64.948%0.47834%0.339SS..Hα-helixtrans-57.4-50.2174.3-178.1-90.9000112K202 I204 L208 R209 D210K202-F206 WeakPolarHBondContact O-CB 3.37Å; K202-F206 PolarHBondContact O-N 3.31Å; I204-F206 VanDerWaalsContact C-N 3.33Å; I204-F206 PolarHBondContact O-N 2.78Å; F206-L208 VanDerWaalsContact C-N 3.31Å; F206-L208 PolarHBondContact O-N 3.16Å; F206-R209 PolarHBondContact O-N 3.07Å; F206-R209 VanDerWaalsContact O-N 3.1Å; F206-D210 PolarHBondContact O-N 3.46Å
207V88.3Confident75.8Confident2 Ų271.9 Ų71.91%0.01237%0.372CS..Hα-helixtrans-66.6-32.9179.2176.70000111.9F108 L134 I156 Q203 I204 D205 R209F108-V207 HydrophobicContact CD2-CG2 3.54Å; F108-V207 HydrophobicContact CE2-CG1 4.13Å; F108-V207 HydrophobicContact CE2-CG2 3.62Å; F108-V207 HydrophobicContact CG-CG2 4.05Å; F108-V207 HydrophobicContact CZ-CG2 4.23Å; L134-V207 HydrophobicContact CD2-CB 4.42Å; L134-V207 HydrophobicContact CD2-CG2 4.04Å; I156-V207 HydrophobicContact CD1-CB 4.38Å; I156-V207 HydrophobicContact CD1-CG1 4.08Å; Q203-V207 WeakPolarHBondContact O-CG2 3.47Å; Q203-V207 PolarHBondContact O-N 3.43Å; I204-V207 PolarHBondContact O-N 2.94Å; D205-V207 PolarHBondContact O-N 3.27Å; V207-R209 VanDerWaalsContact C-N 3.33Å
208L86.9Confident73.7Confident30 Ų3080.1 Ų80.116%0.15741%0.411CS..Hα-helixtrans-67.3-31.9172.4-69.1169.9000112.8I156 Y159 V161 I204 D205 F206I156-L208 HydrophobicContact CB-CD2 4.17Å; I156-L208 HydrophobicContact CD1-CD2 4.04Å; I156-L208 HydrophobicContact CD1-CG 4.17Å; I156-L208 HydrophobicContact CG1-CD2 4.16Å; I156-L208 WeakPolarHBondContact O-CD2 3.36Å; Y159-L208 WeakPolarHBondContact O-CD1 3.5Å; Y159-L208 WeakPolarHBondContact O-CD2 3.48Å; V161-L208 HydrophobicContact CB-CD1 4.39Å; V161-L208 HydrophobicContact CG1-CD1 3.96Å; I204-L208 HydrophobicContact CG2-CD1 3.89Å; I204-L208 HydrophobicContact CG2-CG 4.32Å; I204-L208 VanDerWaalsContact O-CG 3.23Å; I204-L208 WeakPolarHBondContact O-CG 3.32Å; I204-L208 PolarHBondContact O-N 3.26Å; D205-L208 PolarHBondContact O-N 2.87Å; F206-L208 VanDerWaalsContact C-N 3.31Å; F206-L208 PolarHBondContact O-N 3.16Å
209R82Confident71.3Confident111 Ų11183.7 Ų83.742%0.41943%0.432SS..Hα-helixtrans-87.2-29.5-179-72.7173.565.5171.41.7113.4D205 F206 V207 M211 S212D205-R209 WeakPolarHBondContact O-CB 3.31Å; D205-R209 VanDerWaalsContact O-CG 3.26Å; D205-R209 WeakPolarHBondContact O-CG 3.45Å; D205-R209 PolarHBondContact O-N 2.95Å; D205-R209 WeakPolarHBondContact OD2-CD 3.48Å; D205-R209 IonicContact OD2-NH1 2.74Å; F206-R209 PolarHBondContact O-N 3.07Å; F206-R209 VanDerWaalsContact O-N 3.1Å; V207-R209 VanDerWaalsContact C-N 3.33Å; R209-M211 PolarHBondContact O-N 3.08Å; R209-S212 WeakPolarHBondContact O-CA 3.23Å; R209-S212 WeakPolarHBondContact O-CB 3.41Å; R209-S212 PolarHBondContact O-N 3.2Å; R209-S212 PolarHBondContact O-OG 3.37Å
210D67.9Low68.9Low76 Ų7686.3 Ų86.341%0.40645%0.449SS..Hα-helixtrans-54.5-45.3171.8-159.234.2000110.1F206 S212 G213F206-D210 PolarHBondContact O-N 3.46Å; D210-S212 PolarHBondContact O-N 3.35Å; D210-G213 PolarHBondContact O-N 2.95Å
211M56.8Low66.6Low113 Ų11394 Ų9456%0.55749%0.49SS*.THydrogen-bonded Turntrans-59.6-8.9170.9-88.1-70.8-75.600116.2H137 R209H137-M211 WeakPolarHBondContact CE1-CG 3.46Å; H137-M211 PolarHBondContact CE1-SD 2.89Å; R209-M211 PolarHBondContact O-N 3.08Å
212S52.6Low64.2Low63 Ų63101.4 Ų101.444%0.44152%0.523SS..THydrogen-bonded Turntrans-96.5-14.4175.676.70000113.9R209 D210 I214R209-S212 WeakPolarHBondContact O-CA 3.23Å; R209-S212 WeakPolarHBondContact O-CB 3.41Å; R209-S212 PolarHBondContact O-N 3.2Å; R209-S212 PolarHBondContact O-OG 3.37Å; D210-S212 PolarHBondContact O-N 3.35Å; S212-I214 PolarHBondContact O-N 3.26Å; S212-I214 PolarHBondContact OG-N 3.41Å
213G48.7Very low62.1Low67 Ų67102.6 Ų102.669%0.69153%0.531SS*.THydrogen-bonded Turntrans65.57.6-173.600000114.8D210 I215D210-G213 PolarHBondContact O-N 2.95Å; G213-I215 PolarHBondContact O-N 2.93Å
214I47.6Very low59.4Low118 Ų118108.5 Ų108.561%0.60556%0.556SS**  trans-86.899.2177.5-57.5174.4000108.2S212S212-I214 PolarHBondContact O-N 3.26Å; S212-I214 PolarHBondContact OG-N 3.41Å
215I47.3Very low56.9Low144 Ų144116.9 Ų116.974%0.73860%0.597SS**  trans-48.9127161.5-59.3172.2000107.2G213 E217G213-I215 PolarHBondContact O-N 2.93Å; I215-E217 PolarHBondContact O-N 2.93Å
216P41.6Very low54.8Low71 Ų71124.2 Ų124.246%0.46162%0.622SS.*  trans-62.2108.9167.8-17.330.9000108.4E218P216-E218 PolarHBondContact O-N 3.23Å
217E45.9Very low52.7Low180 Ų180126.4 Ų126.484%0.84164%0.639SS**  trans-59.1127.6148.5-70.9-172.3130.300105.9I215 D219I215-E217 PolarHBondContact O-N 2.93Å; E217-D219 PolarHBondContact O-N 3.09Å; E217-D219 VanDerWaalsContact O-N 3.09Å
218E47.9Very low50.6Low174 Ų174132.9 Ų132.981%0.81367%0.673SS**  trans-71.4104.8174.8-66.2179.6129.600106.7P216 D220P216-E218 PolarHBondContact O-N 3.23Å; E218-D220 HydrophobicContact CB-CB 4.32Å; E218-D220 PolarHBondContact O-N 3.48Å
219D44.4Very low48.4Very low156 Ų156137.4 Ų137.483%0.83470%0.702SS**  trans-66.157.3164.4-75.4-43.2000109.3E217 D221E217-D219 PolarHBondContact O-N 3.09Å; E217-D219 VanDerWaalsContact O-N 3.09Å; D219-D221 PolarHBondContact O-N 2.77Å
220D43.6Very low46.4Very low124 Ų124135.3 Ų135.366%0.66372%0.715SS**  trans-81.153.2179.4-141.639.8000109E218 E222E218-D220 HydrophobicContact CB-CB 4.32Å; E218-D220 PolarHBondContact O-N 3.48Å; D220-E222 PolarHBondContact O-N 3.24Å
221D46.4Very low45.1Very low163 Ų163139 Ų13987%0.87274%0.74SS**  trans-75.937.1-173.5-145.35.1000111.3D219D219-D221 PolarHBondContact O-N 2.77Å
222E44.8Very low44.3Very low176 Ų176137.8 Ų137.882%0.82275%0.748SS**SBendtrans-136.563.1-179.1-137170.5-125.400113.6D220D220-E222 PolarHBondContact O-N 3.24Å
223Q47.2Very low43.9Very low171 Ų171140.4 Ų140.480%0.79976%0.764SS**  trans81.163.7135.5-163.9164104.700119.7M225Q223-M225 PolarHBondContact O-N 3.27Å
224F35.7Very low43.6Very low178 Ų178144.7 Ų144.778%0.78177%0.771SS**  trans-93.665.7157.4-84.1-78.1000113.7Y226F224-Y226 HydrophobicContact CD1-CD2 4.25Å; F224-Y226 HydrophobicContact CD1-CE2 4.19Å; F224-Y226 PolarHBondContact O-N 2.92Å; F224-Y226 VanDerWaalsContact O-N 3.14Å
225M40.3Very low42.9Very low176 Ų176149.2 Ų149.287%0.86779%0.787SS**  trans-79.584.8167.4-81.4-74.2-178.300111Q223 D227Q223-M225 PolarHBondContact O-N 3.27Å; M225-D227 PolarHBondContact O-N 2.67Å
226Y45.2Very low42.4Very low206 Ų206146.7 Ų146.781%0.80879%0.788SS**  trans-81.294.3166.4-102-88.6000110.5F224 D228F224-Y226 HydrophobicContact CD1-CD2 4.25Å; F224-Y226 HydrophobicContact CD1-CE2 4.19Å; F224-Y226 PolarHBondContact O-N 2.92Å; F224-Y226 VanDerWaalsContact O-N 3.14Å; Y226-D228 PolarHBondContact O-N 3.04Å
227D45.7Very low42.4Very low155 Ų155149.8 Ų149.883%0.82981%0.807SS**  trans-77.299.1169.4178.228.2000110M225M225-D227 PolarHBondContact O-N 2.67Å
228D43.6Very low41.8Very low138 Ų138144 Ų14474%0.73880%0.796SS**  trans-115.986.7175-164.928.7000112.2Y226Y226-D228 PolarHBondContact O-N 3.04Å
229V41.3Very low41.2Very low125 Ų125143.8 Ų143.876%0.75880%0.795SS**  trans62118.1141.6178.70000119
230G39.7Very low40.9Very low67 Ų67143.3 Ų143.369%0.69179%0.788SS**  116.681.111900000118A232G230-A232 PolarHBondContact O-N 3.12Å
231T41.6Very low40.7Very low153 Ų153143.6 Ų143.694%0.93979%0.788SS**  trans-57.3122.6165.5-51.40000112.2
232A38.7Very low40.5Very low88 Ų88143.9 Ų143.973%0.72778%0.778SS**  trans-129.8150.4163.300000109.7G230G230-A232 PolarHBondContact O-N 3.12Å
233P44.6Very low40.3Very low119 Ų119145 Ų14577%0.77378%0.783SS**  trans-95.2167.8-153.236.8-38.1000116.3
234D42.9Very low39.9Very low156 Ų156143.7 Ų143.783%0.83478%0.777SS**  trans-44136170.7-69.6-67000114.5
235F32.7Very low40.3Very low214 Ų214143 Ų14394%0.93978%0.78SS**  trans-144148.2140.6-103.4-78.4000110.8
236A35.9Very low40.3Very low91 Ų91140.3 Ų140.375%0.75278%0.777SS**  trans-84.3159.8-168.100000113.8
237P42.2Very low39.7Very low135 Ų135138.3 Ų138.388%0.87778%0.78SS**  trans-86.4155.4-17635-36.5000114.1
238G33.8Very low39.3Very low58 Ų58139.5 Ų139.560%0.59878%0.78SS**  trans164.6132.7163.700000113.5
239E35.2Very low38.9Very low170 Ų170142.5 Ų142.579%0.79479%0.79SS**  trans61.3153.7161.5-39.3-46.492.500117.3
240E38.4Very low38.8Very low147 Ų147144.3 Ų144.369%0.68779%0.792SS**  cis-161.1174-11.3-127.1-171.4141.200110.7
241I39.3Very low38.6Very low130 Ų130147.1 Ų147.167%0.66780%0.798SS**  trans58.696.1147.1-65.6162.6000119.5
242Y41.9Very low38Very low169 Ų169142.6 Ų142.666%0.66378%0.782SS**  23.3129.2112.8-162.2-107.8000120.1E244Y242-E244 HydrophobicContact CD1-CB 4.46Å; Y242-E244 HydrophobicContact CE1-CB 3.76Å; Y242-E244 HydrophobicContact CE1-CG 3.93Å; Y242-E244 PolarHBondContact OH-OE1 2.98Å; Y242-E244 VanDerWaalsContact OH-OE1 3.12Å
243E40.3Very low38.6Very low198 Ų198144.6 Ų144.693%0.92579%0.788SS**  trans-135.7144155.8-148.3171.2-143.200110
244E38.9Very low38Very low144 Ų144143.5 Ų143.567%0.67379%0.788SS**  trans-111.6139.9-157.7-162.6168-157.500111.9Y242Y242-E244 HydrophobicContact CD1-CB 4.46Å; Y242-E244 HydrophobicContact CE1-CB 3.76Å; Y242-E244 HydrophobicContact CE1-CG 3.93Å; Y242-E244 PolarHBondContact OH-OE1 2.98Å; Y242-E244 VanDerWaalsContact OH-OE1 3.12Å
245L44.4Very low37.6Very low163 Ų163146 Ų14685%0.85379%0.792SS**PPolyproline II helixtrans-87129.1179.1-74.1170.8000110.9
246P39.2Very low38.1Very low121 Ų121141.1 Ų141.179%0.78678%0.782SS**PPolyproline II helixtrans-78.3149.7-179.931.1-35000113.7
247D34.2Very low38.8Very low163 Ų163142.3 Ų142.387%0.87278%0.781SS**PPolyproline II helixtrans-72.8169.5-170.4-69.5-68.1000117.1
248E37.6Very low38.9Very low181 Ų181140.6 Ų140.685%0.84677%0.771SS**PPolyproline II helixtrans-74.6149.7176-51.5-177.412600114.2
249E33.6Very low38.7Very low200 Ų200147.2 Ų147.294%0.93578%0.783SS**  trans-134.6122.9147.4-84-157.5128.900111.7
250M39.8Very low38.7Very low164 Ų164145.7 Ų145.781%0.80879%0.785SS**  trans-95.8154.2167.4-83.6-174.758.300111.4
251P35.2Very low38.4Very low125 Ų125147.2 Ų147.281%0.81279%0.792SS**  -141.6144.512035.3-22.7000115.4
252G30.1Very low38.4Very low58 Ų58146.6 Ų146.660%0.59880%0.797SS**  trans-101.1-143.3160.700000111.2
253P50.1Low37.8Very low131 Ų131143.6 Ų143.685%0.85180%0.8SS**  cis-139.8164.7-22.341.1-25.6000114.7
254A32.3Very low37.4Very low95 Ų95139.1 Ų139.179%0.78579%0.791SS**  trans170.8120.6155.700000110.7
255K34.8Very low37.1Very low209 Ų209142 Ų14291%0.90980%0.801SS**  100.1151.468.4-85.9-168.9174.5179.40114.1
256P43.1Very low37Very low112 Ų112139.7 Ų139.773%0.72780%0.796SS**  trans-132.9-151.7-148.345.1-27.2000113.7
257P50.8Low36.8Very low115 Ų115139.7 Ų139.775%0.74780%0.796SS**  cis-115.7-115-34.726.3-2.4000109.6
258P44.2Very low36.8Very low100 Ų100139.1 Ų139.165%0.64979%0.792SS**  cis-133.2165.2-45.235.6-16.8000117.8
259K29.7Very low36.7Very low197 Ų197138.8 Ų138.886%0.85779%0.79SS**  trans69.4159.2162.4-68.8177.5177.5-176.30116.6
260V34.4Very low36.8Very low138 Ų138134.7 Ų134.784%0.83678%0.781SS**  cis-144.2161.124.8-146.90000112.9
261E31.7Very low36.9Very low178 Ų178132.7 Ų132.783%0.83278%0.78SS**  trans-86.8-175.5163.3-47.1168.186.800111
262P40.9Very low37.2Very low118 Ų118132.8 Ų132.877%0.76678%0.781SS**  cis-132.5-169.1-10.340.9-23.5000114.2
263S28.8Very low37.6Very low105 Ų105136.9 Ų136.973%0.73479%0.794SS**  trans126.6125.8135.5-159.30000119.7
264S31.7Very low36.8Very low104 Ų104134.7 Ų134.773%0.72779%0.787SS**  trans68.496.7141.5-59.40000124
265K32.5Very low36.8Very low204 Ų204135.2 Ų135.289%0.88779%0.791SS**  trans71.1163.9133.3-86.5-166.1172.9-176.30119.2
266P42.1Very low36.7Very low115 Ų115130.8 Ų130.875%0.74779%0.786SS**  trans-106.9156.1-138.439.3-37.1000116.3
267P35.8Very low36.1Very low122 Ų122131.3 Ų131.379%0.79279%0.793SS**  trans-112.2166.1153.536.7-26.3000113
268L33.6Very low35.2Very low150 Ų150130.7 Ų130.779%0.78580%0.798SS**  trans-90.1-169170.6-68.8116.7000111.6
269H34.9Very low34.7Very low175 Ų175130.1 Ų130.181%0.8180%0.801SS**  trans83.8170.6171.8-44-76.9000114.8
270P37Very low35.3Very low113 Ų113127 Ų12773%0.73480%0.801SS**  -108.9173.3-89.817.32.4000113.5
271P40.4Very low35.1Very low123 Ų123124.3 Ų124.380%0.79980%0.802SS**PPolyproline II helixtrans-70142.6-178.929-36.2000113.2
272P42.4Very low35.4Very low127 Ų127119.2 Ų119.283%0.82579%0.79SS**PPolyproline II helixtrans-88.3131.3173.333.6-32.3000112.8
273V37.4Very low35.3Very low143 Ų143121 Ų12187%0.86779%0.793SS**PPolyproline II helixtrans-94.7157.9156.7-71.50000108.9
274A35.2Very low36Very low86 Ų86124.6 Ų124.671%0.71180%0.795SS**  cis-167.9165.6-23.100000107.5
275A30.5Very low36.8Very low105 Ų105124.6 Ų124.687%0.86880%0.795SS**  trans-148.8133.4160.700000108.3
276S32.6Very low38Very low116 Ų116118.2 Ų118.281%0.81177%0.773SS**  trans-138.3143.6-159.8-52.20000114.1
277S31.4Very low39.3Very low123 Ų123115.7 Ų115.786%0.8675%0.754SS**  trans-156.7144.4153.554.10000108.6
278A31.1Very low41.3Very low103 Ų103115.1 Ų115.185%0.85174%0.736SS**  cis-149.1150.5-2900000106.8
279A35.3Very low43.5Very low88 Ų88110.5 Ų110.573%0.72772%0.72SS**  trans-129.1158.8-172.500000112.6
280P40.9Very low46.1Very low130 Ų130103.8 Ų103.884%0.84469%0.69SS**SBendtrans-112.9159.2139.935.9-28.7000111.4
281G31.7Very low48.7Very low83 Ų83101.1 Ų101.186%0.85667%0.667SS**  trans84.131.6163.900000118.3D283G281-D283 PolarHBondContact O-N 2.9Å
282A37.4Very low51.2Low71 Ų7195.7 Ų95.759%0.58763%0.631SS**  trans-86.780.4178.800000113.4K284A282-K284 HydrophobicContact CB-CG 4.28Å; A282-K284 PolarHBondContact O-N 3.33Å
283D37.8Very low53.7Low156 Ų15692.9 Ų92.983%0.83461%0.607SS**  trans-8096.8170.3-158.5-11.4000110.4G281 S285G281-D283 PolarHBondContact O-N 2.9Å; D283-S285 VanDerWaalsContact C-N 3.31Å; D283-S285 PolarHBondContact O-N 2.69Å
284K45.2Very low56.3Low180 Ų18086.2 Ų86.278%0.78357%0.567SS**  trans-89.155.3-164-70.3-167.9177.5-174.40114.5A282A282-K284 HydrophobicContact CB-CG 4.28Å; A282-K284 PolarHBondContact O-N 3.33Å
285S47.3Very low58.8Low103 Ų10385 Ų8572%0.7255%0.548SS*.  trans-89.986.5148.2-175.40000108.5D283 D287D283-S285 VanDerWaalsContact C-N 3.31Å; D283-S285 PolarHBondContact O-N 2.69Å; S285-D287 PolarHBondContact O-N 2.72Å
286T58.3Low61.5Low70 Ų7087 Ų8743%0.42953%0.533SS..  trans-60.1110.7171-59.10000108.4Y288 F291T286-Y288 VanDerWaalsContact C-N 3.35Å; T286-Y288 HydrophobicContact CG2-CD1 4.38Å; T286-Y288 HydrophobicContact CG2-CD2 4.36Å; T286-Y288 HydrophobicContact CG2-CE1 3.99Å; T286-Y288 HydrophobicContact CG2-CE2 3.97Å; T286-Y288 WeakPolarHBondContact O-CD2 3.5Å; T286-Y288 WeakPolarHBondContact O-CE2 3.41Å; T286-Y288 PolarHBondContact O-N 3.1Å; T286-F291 HydrophobicContact CG2-CE2 4.2Å
287D69.8Low64.2Low63 Ų6386.4 Ų86.434%0.33752%0.521SS..  trans-79.585-175.5-169.5-2.5000111.5S285 A289 N290S285-D287 PolarHBondContact O-N 2.72Å; D287-A289 PolarHBondContact O-N 3.4Å; D287-A289 VanDerWaalsContact O-N 3.17Å; D287-A289 WeakPolarHBondContact OD1-CB 3.4Å; D287-A289 PolarHBondContact OD1-N 3.19Å; D287-A289 VanDerWaalsContact OD1-N 3.08Å; D287-N290 PolarHBondContact O-N 3.11Å; D287-N290 VanDerWaalsContact O-N 3.1Å; D287-N290 PolarHBondContact OD2-ND2 3.04Å
288Y76.4Confident66.7Low109 Ų10981.6 Ų81.643%0.42749%0.487SS..G310 helixtrans-60.6-20.1177.6-65.4-79.2000113.3T286 N290 F291 Y347 M349T286-Y288 VanDerWaalsContact C-N 3.35Å; T286-Y288 HydrophobicContact CG2-CD1 4.38Å; T286-Y288 HydrophobicContact CG2-CD2 4.36Å; T286-Y288 HydrophobicContact CG2-CE1 3.99Å; T286-Y288 HydrophobicContact CG2-CE2 3.97Å; T286-Y288 WeakPolarHBondContact O-CD2 3.5Å; T286-Y288 WeakPolarHBondContact O-CE2 3.41Å; T286-Y288 PolarHBondContact O-N 3.1Å; Y288-N290 PolarHBondContact O-N 2.99Å; Y288-F291 PolarHBondContact O-N 3.37Å; Y288-Y347 AromaticContact CD1-CD2 3.81Å; Y288-Y347 HydrophobicContact CD1-CD2 3.81Å; Y288-Y347 AromaticContact CD1-CE2 3.77Å; Y288-Y347 HydrophobicContact CD1-CE2 3.77Å; Y288-Y347 HydrophobicContact CD1-CG 4.36Å; Y288-Y347 HydrophobicContact CE1-CE2 4.47Å; Y288-Y347 HydrophobicContact CG-CD2 4.39Å; Y288-M349 HydrophobicContact CD2-CE 4.48Å; Y288-M349 HydrophobicContact CG-CE 4.5Å
289A80.9Confident69.4Low53 Ų5381.9 Ų81.944%0.43848%0.478SS..G310 helixtrans-74.7-13.317700000113.3D287D287-A289 PolarHBondContact O-N 3.4Å; D287-A289 VanDerWaalsContact O-N 3.17Å; D287-A289 WeakPolarHBondContact OD1-CB 3.4Å; D287-A289 PolarHBondContact OD1-N 3.19Å; D287-A289 VanDerWaalsContact OD1-N 3.08Å
290N89Confident71.7Confident35 Ų3578.5 Ų78.519%0.18745%0.453CS..G310 helixtrans-100.24.3174.1-76.7-41.2000113.8D287 Y288 Y315 I316 K319D287-N290 PolarHBondContact O-N 3.11Å; D287-N290 VanDerWaalsContact O-N 3.1Å; D287-N290 PolarHBondContact OD2-ND2 3.04Å; Y288-N290 PolarHBondContact O-N 2.99Å; N290-Y315 HydrophobicContact CB-CD2 4.24Å; N290-Y315 HydrophobicContact CB-CE2 3.68Å; N290-I316 PolarHBondContact O-N 3.25Å; N290-K319 PolarHBondContact OD1-NZ 2.94Å
291F91.9Very high73.3Confident56 Ų5679.3 Ų79.325%0.24645%0.449CS..EExtended strand (participates in β ladder)trans-86.6121.2168.4-83.6-85.2000111.6T286 Y288 Y315 L346 Y347T286-F291 HydrophobicContact CG2-CE2 4.2Å; Y288-F291 PolarHBondContact O-N 3.37Å; F291-Y315 HydrophobicContact CD1-CD2 4.3Å; F291-Y315 AromaticContact CD2-CD2 3.64Å; F291-Y315 HydrophobicContact CD2-CD2 3.64Å; F291-Y315 HydrophobicContact CD2-CE2 4.01Å; F291-Y315 HydrophobicContact CE1-CD2 4.11Å; F291-Y315 AromaticContact CE2-CD2 3.44Å; F291-Y315 HydrophobicContact CE2-CD2 3.44Å; F291-Y315 VanDerWaalsContact CE2-CD2 3.44Å; F291-Y315 AromaticContact CE2-CE2 3.8Å; F291-Y315 HydrophobicContact CE2-CE2 3.8Å; F291-Y315 HydrophobicContact CG-CD2 4.09Å; F291-Y315 AromaticContact CZ-CD2 3.69Å; F291-Y315 HydrophobicContact CZ-CD2 3.69Å; F291-Y315 HydrophobicContact CZ-CE2 4.42Å; F291-Y315 HydrophobicContact CZ-CG 4.39Å; F291-L346 HydrophobicContact CB-CB 4.26Å; F291-L346 HydrophobicContact CB-CD2 4.25Å; F291-L346 WeakPolarHBondContact O-CB 3.42Å; F291-L346 PolarHBondContact O-N 3.21Å; F291-Y347 HydrophobicContact CB-CD2 3.93Å; F291-Y347 HydrophobicContact CB-CE2 4.07Å; F291-Y347 HydrophobicContact CG-CE2 4.42Å
292Y93.6Very high75.4Confident10 Ų1080.9 Ų80.94%0.03944%0.435CS..EExtended strand (participates in β ladder)trans-118.4161.7176.1-71.7-104.3000110.5A313 I314 I316 K319 W327 L343 L344 E345Y292-A313 CarbonylContact O-C 3.59Å; Y292-A313 WeakPolarHBondContact O-CA 3.36Å; Y292-I314 PolarHBondContact N-O 2.83Å; Y292-I314 PolarHBondContact O-N 3.15Å; Y292-I316 HydrophobicContact CD2-CB 4.12Å; Y292-I316 HydrophobicContact CD2-CG1 3.37Å; Y292-I316 HydrophobicContact CE2-CB 4.31Å; Y292-I316 HydrophobicContact CE2-CG1 3.94Å; Y292-I316 HydrophobicContact CG-CG1 3.99Å; Y292-K319 WeakPolarHBondContact OH-CE 3.45Å; Y292-K319 PolarHBondContact OH-NZ 3.49Å; Y292-W327 HydrophobicContact CD1-CH2 4.4Å; Y292-W327 AromaticContact CD1-CZ3 3.7Å; Y292-W327 HydrophobicContact CD1-CZ3 3.7Å; Y292-W327 HydrophobicContact CD2-CZ3 4.41Å; Y292-W327 AromaticContact CE1-CH2 3.64Å; Y292-W327 HydrophobicContact CE1-CH2 3.64Å; Y292-W327 AromaticContact CE1-CZ3 3.35Å; Y292-W327 HydrophobicContact CE1-CZ3 3.35Å; Y292-W327 HydrophobicContact CE2-CZ3 4.14Å; Y292-W327 HydrophobicContact CG-CZ3 4.24Å; Y292-W327 AromaticContact CZ-CH2 3.84Å; Y292-W327 AromaticContact CZ-CZ3 3.63Å; Y292-L343 HydrophobicContact CD1-CB 4.07Å; Y292-L343 HydrophobicContact CG-CB 4.49Å; Y292-L344 CarbonylContact C-O 3.57Å; Y292-L344 WeakPolarHBondContact CA-O 3.26Å; Y292-L344 WeakPolarHBondContact CB-O 3.39Å; Y292-E345 HydrophobicContact CD1-CG 3.81Å; Y292-E345 HydrophobicContact CE1-CB 4.27Å; Y292-E345 HydrophobicContact CE1-CG 3.12Å; Y292-E345 HydrophobicContact CE2-CG 4.4Å; Y292-E345 VanDerWaalsContact CZ-CG 3.47Å; Y292-E345 PolarHBondContact OH-OE1 2.94Å
293Q93.1Very high77.3Confident68 Ų6884 Ų8432%0.31845%0.449SS..EExtended strand (participates in β ladder)trans-121.2136177.5-171.4173.151.400110.6L295 G311 E312 L343 L344 L346Q293-L295 PolarHBondContact O-N 3.38Å; Q293-G311 PolarHBondContact NE2-O 3.44Å; Q293-E312 WeakPolarHBondContact CA-O 3.19Å; Q293-L343 WeakPolarHBondContact O-CA 3.29Å; Q293-L344 PolarHBondContact N-O 3.44Å; Q293-L344 PolarHBondContact O-N 3.48Å; Q293-L346 HydrophobicContact CB-CB 4.48Å; Q293-L346 HydrophobicContact CB-CD1 4.16Å
294G92.3Very high79.6Confident3 Ų380.8 Ų80.83%0.03143%0.431CS..EExtended strand (participates in β ladder)trans-62.8122.2173.200000112R310 G311 E312 Y342G294-R310 CarbonylContact O-C 3.53Å; G294-R310 WeakPolarHBondContact O-CA 3.47Å; G294-G311 PolarHBondContact O-N 3.22Å; G294-E312 PolarHBondContact N-O 2.98Å; G294-Y342 CarbonylContact C-O 3.59Å; G294-Y342 WeakPolarHBondContact CA-O 3.39Å
295L89.3Confident81.6Confident61 Ų6174.5 Ų74.532%0.31941%0.405SS..SBendtrans-78.5-28.1173.3-73.4173.7000112.6Q293 R310 Y342 L344Q293-L295 PolarHBondContact O-N 3.38Å; L295-R310 WeakPolarHBondContact O-CD 3.21Å; L295-R310 VanDerWaalsContact O-CG 3.24Å; L295-R310 WeakPolarHBondContact O-CG 3.46Å; L295-R310 PolarHBondContact O-NE 2.81Å; L295-Y342 PolarHBondContact N-O 2.93Å; L295-L344 HydrophobicContact CD1-CB 4.25Å; L295-L344 HydrophobicContact CD2-CB 3.81Å; L295-L344 HydrophobicContact CD2-CD2 4.15Å; L295-L344 HydrophobicContact CG-CB 3.95Å
296W86.3Confident83.6Confident145 Ų14570 Ų7055%0.54937%0.373SS..SBendtrans-136.8169.2-175.6-51.1110.4000110.6F308 K309 R310 Y342W296-F308 WeakPolarHBondContact O-CE2 3.3Å; W296-K309 CarbonylContact O-C 3.57Å; W296-R310 PolarHBondContact O-N 3.32Å; W296-Y342 HydrophobicContact CB-CD1 3.72Å; W296-Y342 HydrophobicContact CB-CE1 4Å; W296-Y342 AromaticContact CD1-CD1 3.99Å; W296-Y342 HydrophobicContact CG-CD1 4.26Å; W296-Y342 HydrophobicContact CG-CE1 4.49Å
297D88.7Confident85.2Confident105 Ų10569.4 Ų69.456%0.56137%0.371SS*.  trans-80.1128.3168.2-69.7-5.8000108.8K309 R310D297-K309 VanDerWaalsContact OD1-CA 3.31Å; D297-K309 WeakPolarHBondContact OD1-CA 3.5Å; D297-K309 WeakPolarHBondContact OD1-CB 3.48Å; D297-R310 PolarHBondContact OD1-N 3.12Å
298C85.4Confident86.3Confident21 Ų2166.7 Ų66.714%0.14236%0.356CS..BIsolated β-bridgetrans-123.6119.9179.2-171.60000108.6S307 F308 Y342C298-S307 CarbonylContact O-C 3.55Å; C298-S307 WeakPolarHBondContact O-CA 3.36Å; C298-F308 HydrophobicContact CB-CD1 3.8Å; C298-F308 HydrophobicContact CB-CD2 4.03Å; C298-F308 HydrophobicContact CB-CE1 3.48Å; C298-F308 VanDerWaalsContact CB-CE1 3.48Å; C298-F308 HydrophobicContact CB-CE2 3.73Å; C298-F308 HydrophobicContact CB-CG 4.06Å; C298-F308 HydrophobicContact CB-CZ 3.45Å; C298-F308 VanDerWaalsContact CB-CZ 3.45Å; C298-F308 PolarHBondContact N-O 2.95Å; C298-F308 PolarHBondContact O-N 3.48Å; C298-Y342 HydrophobicContact CB-CD1 4.23Å
299T87.1Confident87Confident109 Ų10967.6 Ų67.667%0.66936%0.363SS*.  trans-106.2127.6171.3-51.90000106.8
300G83.3Confident87.5Confident18 Ų1873.5 Ų73.519%0.18637%0.374CS..  trans-77.6124.7170.500000109.8E305 S307G300-E305 VanDerWaalsContact CA-OE2 3.31Å; G300-E305 WeakPolarHBondContact CA-OE2 3.45Å; G300-S307 PolarHBondContact N-OG 3.36Å
301D74.5Confident87.6Confident146 Ų14673.7 Ų73.778%0.78138%0.384SS*.SBendtrans-88-20.8171-74.3-37.1000110.8E305D301-E305 PolarHBondContact N-OE2 3.1Å
302H76.1Confident87.6Confident117 Ų11774 Ų7454%0.54239%0.386SS..SBendtrans-108152.2176.7-65.7-71.9000112.8D304 E305H302-D304 WeakPolarHBondContact CB-OD1 3.44Å; H302-D304 PolarHBondContact O-N 2.93Å; H302-E305 HydrophobicContact CB-CG 4.04Å; H302-E305 IonicContact CD2-OE1 2.71Å; H302-E305 IonicContact CD2-OE2 3.84Å; H302-E305 PolarHBondContact N-OE2 2.69Å; H302-E305 PolarHBondContact O-N 2.72Å; H302-E305 VanDerWaalsContact O-N 3.1Å
303P77.4Confident87.5Confident136 Ų13675.8 Ų75.888%0.88340%0.403SS*.THydrogen-bonded Turntrans-70.9-16-170.930.3-36.9000114.4
304D85Confident87.5Confident88 Ų8872.5 Ų72.547%0.47139%0.388SS..THydrogen-bonded Turntrans-91.2-10.4174.254.9-56.7000113.2H302 G336 I337H302-D304 WeakPolarHBondContact CB-OD1 3.44Å; H302-D304 PolarHBondContact O-N 2.93Å; D304-G336 CarbonylContact O-C 3.49Å; D304-G336 WeakPolarHBondContact O-CA 3.28Å; D304-I337 PolarHBondContact O-N 3Å
305E88.6Confident87.6Confident48 Ų4875.6 Ų75.622%0.22440%0.399CS..BIsolated β-bridgetrans-85.9125.9178.3-69.8175.5154.700112.1G300 D301 H302 S307 I337G300-E305 VanDerWaalsContact CA-OE2 3.31Å; G300-E305 WeakPolarHBondContact CA-OE2 3.45Å; D301-E305 PolarHBondContact N-OE2 3.1Å; H302-E305 HydrophobicContact CB-CG 4.04Å; H302-E305 IonicContact CD2-OE1 2.71Å; H302-E305 IonicContact CD2-OE2 3.84Å; H302-E305 PolarHBondContact N-OE2 2.69Å; H302-E305 PolarHBondContact O-N 2.72Å; H302-E305 VanDerWaalsContact O-N 3.1Å; E305-S307 PolarHBondContact O-N 3.06Å; E305-I337 HydrophobicContact CB-CG1 4.47Å; E305-I337 HydrophobicContact CG-CD1 4.07Å; E305-I337 HydrophobicContact CG-CG1 3.91Å
306L89.7Confident87.9Confident10 Ų1072.8 Ų72.85%0.05238%0.384CS..  trans-83111.3-178-172.171.6000111.2F308 I314 K331 A334 I337 V338L306-F308 VanDerWaalsContact O-CD1 3.28Å; L306-F308 WeakPolarHBondContact O-CD1 3.41Å; L306-I314 HydrophobicContact CD2-CG2 4.01Å; L306-K331 HydrophobicContact CD1-CB 4.41Å; L306-K331 HydrophobicContact CD2-CB 3.9Å; L306-K331 HydrophobicContact CG-CB 4.45Å; L306-A334 HydrophobicContact CD1-CB 3.83Å; L306-A334 WeakPolarHBondContact CD1-O 3.45Å; L306-I337 PolarHBondContact N-O 2.61Å; L306-V338 HydrophobicContact CB-CG1 3.7Å; L306-V338 HydrophobicContact CD2-CG1 3.76Å; L306-V338 HydrophobicContact CG-CG1 4.22Å
307S90.9Very high88Confident57 Ų5769.9 Ų69.940%0.39938%0.379SS..  trans-72.3129.8175.6-64.40000112.5C298 G300 E305 K331C298-S307 CarbonylContact O-C 3.55Å; C298-S307 WeakPolarHBondContact O-CA 3.36Å; G300-S307 PolarHBondContact N-OG 3.36Å; E305-S307 PolarHBondContact O-N 3.06Å; S307-K331 PolarHBondContact O-NZ 3.4Å
308F93.1Very high87.9Confident5 Ų565.9 Ų65.92%0.02236%0.359CS..BIsolated β-bridgetrans-147.7165.3177.364.3-96.8000114W296 C298 L306 E312 I314 K331 V338 L343W296-F308 WeakPolarHBondContact O-CE2 3.3Å; C298-F308 HydrophobicContact CB-CD1 3.8Å; C298-F308 HydrophobicContact CB-CD2 4.03Å; C298-F308 HydrophobicContact CB-CE1 3.48Å; C298-F308 VanDerWaalsContact CB-CE1 3.48Å; C298-F308 HydrophobicContact CB-CE2 3.73Å; C298-F308 HydrophobicContact CB-CG 4.06Å; C298-F308 HydrophobicContact CB-CZ 3.45Å; C298-F308 VanDerWaalsContact CB-CZ 3.45Å; C298-F308 PolarHBondContact N-O 2.95Å; C298-F308 PolarHBondContact O-N 3.48Å; L306-F308 VanDerWaalsContact O-CD1 3.28Å; L306-F308 WeakPolarHBondContact O-CD1 3.41Å; F308-E312 VanDerWaalsContact CA-OE2 3.31Å; F308-E312 WeakPolarHBondContact CA-OE2 3.36Å; F308-I314 HydrophobicContact CB-CD1 3.79Å; F308-I314 HydrophobicContact CD1-CD1 3.46Å; F308-I314 VanDerWaalsContact CD1-CD1 3.46Å; F308-I314 HydrophobicContact CD2-CD1 3.89Å; F308-I314 HydrophobicContact CE1-CD1 3.93Å; F308-I314 HydrophobicContact CE2-CD1 4.3Å; F308-I314 HydrophobicContact CG-CD1 3.45Å; F308-I314 VanDerWaalsContact CG-CD1 3.45Å; F308-I314 HydrophobicContact CZ-CD1 4.31Å; F308-K331 HydrophobicContact CB-CD 4.18Å; F308-V338 HydrophobicContact CD1-CG1 3.89Å; F308-V338 HydrophobicContact CE1-CB 4Å; F308-V338 HydrophobicContact CE1-CG1 3.63Å; F308-L343 HydrophobicContact CE2-CD2 4.37Å; F308-L343 HydrophobicContact CZ-CD2 4.01Å
309K91.8Very high88.1Confident129 Ų12968.4 Ų68.456%0.56137%0.368SS*.  trans-114.6157.3177.2-65.7-169.9177.2-173.20112.5W296 D297 G311 E312W296-K309 CarbonylContact O-C 3.57Å; D297-K309 VanDerWaalsContact OD1-CA 3.31Å; D297-K309 WeakPolarHBondContact OD1-CA 3.5Å; D297-K309 WeakPolarHBondContact OD1-CB 3.48Å; K309-G311 PolarHBondContact O-N 2.68Å; K309-E312 HydrophobicContact CB-CG 4.04Å; K309-E312 PolarHBondContact N-OE2 3.44Å; K309-E312 WeakPolarHBondContact O-CB 3.32Å; K309-E312 PolarHBondContact O-N 2.97Å
310R91.4Very high87.5Confident176 Ų17670.2 Ų70.266%0.66437%0.369SS*.THydrogen-bonded Turntrans-54.5123.1172.6179.7172.5-174.7-164.5-0.6110.4G294 L295 W296 D297G294-R310 CarbonylContact O-C 3.53Å; G294-R310 WeakPolarHBondContact O-CA 3.47Å; L295-R310 WeakPolarHBondContact O-CD 3.21Å; L295-R310 VanDerWaalsContact O-CG 3.24Å; L295-R310 WeakPolarHBondContact O-CG 3.46Å; L295-R310 PolarHBondContact O-NE 2.81Å; W296-R310 PolarHBondContact O-N 3.32Å; D297-R310 PolarHBondContact OD1-N 3.12Å
311G90.1Very high87.1Confident39 Ų3974.6 Ų74.640%0.40238%0.38SS..THydrogen-bonded Turntrans94.2-10.8-179.200000115Q293 G294 K309Q293-G311 PolarHBondContact NE2-O 3.44Å; G294-G311 PolarHBondContact O-N 3.22Å; K309-G311 PolarHBondContact O-N 2.68Å
312E92.1Very high87.2Confident63 Ų6370.1 Ų70.129%0.29436%0.356SS..  trans-71.8142.5173.7-64.9-174.4150.500111.1Q293 G294 F308 K309 K331Q293-E312 WeakPolarHBondContact CA-O 3.19Å; G294-E312 PolarHBondContact N-O 2.98Å; F308-E312 VanDerWaalsContact CA-OE2 3.31Å; F308-E312 WeakPolarHBondContact CA-OE2 3.36Å; K309-E312 HydrophobicContact CB-CG 4.04Å; K309-E312 PolarHBondContact N-OE2 3.44Å; K309-E312 WeakPolarHBondContact O-CB 3.32Å; K309-E312 PolarHBondContact O-N 2.97Å; E312-K331 HydrophobicContact CB-CD 4.32Å; E312-K331 IonicContact OE1-NZ 2.76Å; E312-K331 IonicContact OE2-NZ 3.91Å; E312-K331 PolarHBondContact OE2-NZ 2.87Å
313A91.9Very high86.9Confident47 Ų4770.1 Ų70.139%0.38836%0.36SS..EExtended strand (participates in β ladder)trans-88.3140.3175.400000110.8Y292 L346Y292-A313 CarbonylContact O-C 3.59Å; Y292-A313 WeakPolarHBondContact O-CA 3.36Å; A313-L346 HydrophobicContact CB-CD2 3.83Å
314I93.8Very high86.7Confident0 Ų067.3 Ų67.30%034%0.335CS..EExtended strand (participates in β ladder)trans-134.1135.1-177.1-54.9173.9000107.2Y292 L306 F308 I316 E330 K331 V338 L343Y292-I314 PolarHBondContact N-O 2.83Å; Y292-I314 PolarHBondContact O-N 3.15Å; L306-I314 HydrophobicContact CD2-CG2 4.01Å; F308-I314 HydrophobicContact CB-CD1 3.79Å; F308-I314 HydrophobicContact CD1-CD1 3.46Å; F308-I314 VanDerWaalsContact CD1-CD1 3.46Å; F308-I314 HydrophobicContact CD2-CD1 3.89Å; F308-I314 HydrophobicContact CE1-CD1 3.93Å; F308-I314 HydrophobicContact CE2-CD1 4.3Å; F308-I314 HydrophobicContact CG-CD1 3.45Å; F308-I314 VanDerWaalsContact CG-CD1 3.45Å; F308-I314 HydrophobicContact CZ-CD1 4.31Å; I314-I316 HydrophobicContact CG2-CD1 4.18Å; I314-E330 WeakPolarHBondContact CG2-O 3.38Å; I314-K331 HydrophobicContact CG1-CB 4.47Å; I314-K331 HydrophobicContact CG1-CD 4.38Å; I314-K331 HydrophobicContact CG1-CG 4.47Å; I314-V338 HydrophobicContact CD1-CG1 4.34Å; I314-L343 HydrophobicContact CD1-CD2 3.85Å
315Y93.7Very high86.6Confident67 Ų6764.4 Ų64.426%0.26333%0.325SS..EExtended strand (participates in β ladder)trans-96.1121.5175.8-173.4-103.9000109.7N290 F291 L317 G329 E330N290-Y315 HydrophobicContact CB-CD2 4.24Å; N290-Y315 HydrophobicContact CB-CE2 3.68Å; F291-Y315 HydrophobicContact CD1-CD2 4.3Å; F291-Y315 AromaticContact CD2-CD2 3.64Å; F291-Y315 HydrophobicContact CD2-CD2 3.64Å; F291-Y315 HydrophobicContact CD2-CE2 4.01Å; F291-Y315 HydrophobicContact CE1-CD2 4.11Å; F291-Y315 AromaticContact CE2-CD2 3.44Å; F291-Y315 HydrophobicContact CE2-CD2 3.44Å; F291-Y315 VanDerWaalsContact CE2-CD2 3.44Å; F291-Y315 AromaticContact CE2-CE2 3.8Å; F291-Y315 HydrophobicContact CE2-CE2 3.8Å; F291-Y315 HydrophobicContact CG-CD2 4.09Å; F291-Y315 AromaticContact CZ-CD2 3.69Å; F291-Y315 HydrophobicContact CZ-CD2 3.69Å; F291-Y315 HydrophobicContact CZ-CE2 4.42Å; F291-Y315 HydrophobicContact CZ-CG 4.39Å; Y315-L317 HydrophobicContact CD1-CD2 3.79Å; Y315-L317 HydrophobicContact CD1-CG 4.41Å; Y315-L317 HydrophobicContact CE1-CD2 3.9Å; Y315-L317 PolarHBondContact O-N 3.01Å; Y315-G329 CarbonylContact O-C 3.55Å; Y315-G329 VanDerWaalsContact O-CA 3.32Å; Y315-G329 WeakPolarHBondContact O-CA 3.49Å; Y315-E330 PolarHBondContact N-O 2.7Å; Y315-E330 PolarHBondContact O-N 2.79Å
316I94.6Very high86.6Confident2 Ų266.1 Ų66.11%0.0133%0.33CS..EExtended strand (participates in β ladder)trans-87.1110.1-177.9-60.1-59000109.5N290 Y292 I314 K319 W327 V328 V338 L343N290-I316 PolarHBondContact O-N 3.25Å; Y292-I316 HydrophobicContact CD2-CB 4.12Å; Y292-I316 HydrophobicContact CD2-CG1 3.37Å; Y292-I316 HydrophobicContact CE2-CB 4.31Å; Y292-I316 HydrophobicContact CE2-CG1 3.94Å; Y292-I316 HydrophobicContact CG-CG1 3.99Å; I314-I316 HydrophobicContact CG2-CD1 4.18Å; I316-K319 HydrophobicContact CG2-CD 4.35Å; I316-K319 HydrophobicContact CG2-CG 3.69Å; I316-W327 HydrophobicContact CD1-CB 4.26Å; I316-W327 HydrophobicContact CD1-CE3 4.11Å; I316-W327 HydrophobicContact CG1-CE3 4.01Å; I316-W327 HydrophobicContact CG2-CB 4Å; I316-W327 HydrophobicContact CG2-CD2 4.42Å; I316-W327 HydrophobicContact CG2-CE3 4.24Å; I316-W327 HydrophobicContact CG2-CG 4.38Å; I316-V328 CarbonylContact C-O 3.42Å; I316-V338 HydrophobicContact CD1-CG2 3.69Å; I316-L343 HydrophobicContact CD1-CD1 3.91Å
317L89Confident86.8Confident84 Ų8466.5 Ų66.544%0.4433%0.331SS..EExtended strand (participates in β ladder)trans-76.8-40.4179.4-65.8172.9000111.7Y315 V328 E330 I335Y315-L317 HydrophobicContact CD1-CD2 3.79Å; Y315-L317 HydrophobicContact CD1-CG 4.41Å; Y315-L317 HydrophobicContact CE1-CD2 3.9Å; Y315-L317 PolarHBondContact O-N 3.01Å; L317-V328 HydrophobicContact CB-CG1 4.36Å; L317-V328 HydrophobicContact CD1-CG1 4.41Å; L317-V328 PolarHBondContact N-O 2.94Å; L317-E330 HydrophobicContact CD1-CB 4.1Å; L317-E330 HydrophobicContact CG-CB 4.33Å; L317-I335 HydrophobicContact CD1-CD1 3.92Å; L317-I335 HydrophobicContact CD1-CG1 3.98Å; L317-I335 HydrophobicContact CD1-CG2 3.96Å
318S86Confident86.8Confident21 Ų2165.2 Ų65.215%0.14732%0.32CS..EExtended strand (participates in β ladder)trans-147.2147.5178.1174.40000112.6E320 V328S318-E320 WeakPolarHBondContact CB-OE1 3.41Å; S318-E320 WeakPolarHBondContact OG-CB 3.14Å; S318-E320 VanDerWaalsContact OG-CG 3.3Å; S318-E320 WeakPolarHBondContact OG-CG 3.45Å; S318-E320 PolarHBondContact OG-N 2.89Å; S318-E320 VanDerWaalsContact OG-N 3.08Å; S318-E320 PolarHBondContact OG-OE1 3.05Å; S318-V328 PolarHBondContact N-O 2.89Å; S318-V328 PolarHBondContact O-N 2.89Å
319K89.5Confident86.8Confident74 Ų7465 Ų6532%0.32232%0.319SS..  trans-113.514.7175.5-65.8168.6172.6155.70111.9N290 Y292 I316 Y321 N322 W327N290-K319 PolarHBondContact OD1-NZ 2.94Å; Y292-K319 WeakPolarHBondContact OH-CE 3.45Å; Y292-K319 PolarHBondContact OH-NZ 3.49Å; I316-K319 HydrophobicContact CG2-CD 4.35Å; I316-K319 HydrophobicContact CG2-CG 3.69Å; K319-Y321 PolarHBondContact O-N 3.12Å; K319-N322 WeakPolarHBondContact O-CB 3.29Å; K319-N322 PolarHBondContact O-N 2.98Å; K319-N322 VanDerWaalsContact O-N 3.13Å; K319-W327 HydrophobicContact CB-CG 4.4Å; K319-W327 HydrophobicContact CD-CZ2 4.36Å; K319-W327 HydrophobicContact CG-CD2 3.94Å; K319-W327 HydrophobicContact CG-CG 3.97Å; K319-W327 HydrophobicContact CG-CZ2 4.41Å
320E75.6Confident86.9Confident148 Ų14862.3 Ų62.369%0.69231%0.308SS*.G310 helixtrans-59.3-43.8-177.7-75.1151.9-114.300112.9S318 N322S318-E320 WeakPolarHBondContact CB-OE1 3.41Å; S318-E320 WeakPolarHBondContact OG-CB 3.14Å; S318-E320 VanDerWaalsContact OG-CG 3.3Å; S318-E320 WeakPolarHBondContact OG-CG 3.45Å; S318-E320 PolarHBondContact OG-N 2.89Å; S318-E320 VanDerWaalsContact OG-N 3.08Å; S318-E320 PolarHBondContact OG-OE1 3.05Å; E320-N322 PolarHBondContact O-N 3.47Å
321Y73.8Confident86.9Confident109 Ų10955.4 Ų55.443%0.42728%0.283SS..G310 helixtrans-749178-56.9-82.2000114.4K319 N323 F324 W326 V328K319-Y321 PolarHBondContact O-N 3.12Å; Y321-N323 PolarHBondContact O-N 2.87Å; Y321-F324 HydrophobicContact CD1-CD2 4.34Å; Y321-F324 HydrophobicContact CD1-CE2 4.42Å; Y321-F324 WeakPolarHBondContact O-CB 3.14Å; Y321-F324 PolarHBondContact O-N 3.4Å; Y321-W326 CarbonylContact C-O 3.57Å; Y321-W326 WeakPolarHBondContact CB-O 3.26Å; Y321-W326 PolarHBondContact O-N 2.74Å; Y321-W326 VanDerWaalsContact O-O 3.05Å; Y321-V328 HydrophobicContact CD2-CG2 3.89Å; Y321-V328 HydrophobicContact CE2-CG2 3.98Å
322N77.3Confident86.8Confident52 Ų5260.6 Ų60.628%0.27830%0.302SS..G310 helixtrans-53.4-29.5-179.5172.484.8000113.5K319 E320 F324 G325 W326 W327 R340K319-N322 WeakPolarHBondContact O-CB 3.29Å; K319-N322 PolarHBondContact O-N 2.98Å; K319-N322 VanDerWaalsContact O-N 3.13Å; E320-N322 PolarHBondContact O-N 3.47Å; N322-F324 PolarHBondContact O-N 2.95Å; N322-G325 PolarHBondContact O-N 3.33Å; N322-G325 VanDerWaalsContact O-N 3.08Å; N322-W326 PolarHBondContact N-O 3.32Å; N322-W327 PolarHBondContact OD1-NE1 2.75Å; N322-R340 WeakPolarHBondContact OD1-CD 3.35Å; N322-R340 PolarHBondContact OD1-NH1 3.36Å
323N70.8Confident86.5Confident118 Ų11860.5 Ų60.563%0.63132%0.318SS*.G310 helixtrans-66.6-20.5177.7-62.6-16.5000113.3Y321Y321-N323 PolarHBondContact O-N 2.87Å
324F71.8Confident86.3Confident77 Ų7760.8 Ų60.834%0.33832%0.32SS..G310 helixtrans-97.7-2.2173.9-58.9-93.3000112.9F108 Y321 N322F108-F324 AromaticContact CE1-CE1 3.92Å; F108-F324 HydrophobicContact CE1-CE1 3.92Å; F108-F324 HydrophobicContact CE1-CE2 4.18Å; F108-F324 AromaticContact CE1-CZ 3.56Å; F108-F324 HydrophobicContact CE1-CZ 3.56Å; F108-F324 AromaticContact CZ-CE1 3.64Å; F108-F324 HydrophobicContact CZ-CE1 3.64Å; F108-F324 AromaticContact CZ-CZ 3.66Å; F108-F324 HydrophobicContact CZ-CZ 3.66Å; Y321-F324 HydrophobicContact CD1-CD2 4.34Å; Y321-F324 HydrophobicContact CD1-CE2 4.42Å; Y321-F324 WeakPolarHBondContact O-CB 3.14Å; Y321-F324 PolarHBondContact O-N 3.4Å; N322-F324 PolarHBondContact O-N 2.95Å
325G83.9Confident86.1Confident27 Ų2766 Ų6628%0.27835%0.347SS..THydrogen-bonded Turntrans83.18.6-173.800000115.1N322 R340N322-G325 PolarHBondContact O-N 3.33Å; N322-G325 VanDerWaalsContact O-N 3.08Å; G325-R340 VanDerWaalsContact O-CB 3.26Å; G325-R340 WeakPolarHBondContact O-CB 3.39Å; G325-R340 PolarHBondContact O-N 3.45Å
326W88.6Confident86Confident84 Ų8463.2 Ų63.232%0.31834%0.339SS..EExtended strand (participates in β ladder)trans-114.6148.8-178.9-60.289.8000111.9Y321 N322 I337 V338 P339Y321-W326 CarbonylContact C-O 3.57Å; Y321-W326 WeakPolarHBondContact CB-O 3.26Å; Y321-W326 PolarHBondContact O-N 2.74Å; Y321-W326 VanDerWaalsContact O-O 3.05Å; N322-W326 PolarHBondContact N-O 3.32Å; W326-I337 HydrophobicContact CD2-CD1 4.1Å; W326-I337 HydrophobicContact CE3-CB 4.02Å; W326-I337 HydrophobicContact CE3-CD1 3.82Å; W326-I337 HydrophobicContact CE3-CG1 3.87Å; W326-I337 HydrophobicContact CZ3-CD1 4.14Å; W326-I337 HydrophobicContact CZ3-CG1 4.16Å; W326-V338 WeakPolarHBondContact CA-O 3.26Å; W326-V338 VanDerWaalsContact CE3-C 3.48Å; W326-P339 HydrophobicContact CE3-CB 4.04Å; W326-P339 HydrophobicContact CH2-CB 4.16Å; W326-P339 HydrophobicContact CH2-CG 4.39Å; W326-P339 HydrophobicContact CZ3-CB 3.87Å; W326-P339 HydrophobicContact CZ3-CG 3.99Å
327W92.9Very high85.8Confident18 Ų1865.1 Ų65.17%0.06835%0.348CS..EExtended strand (participates in β ladder)trans-127.3157.5169.8-65-23.3000109.7Y292 I316 K319 N322 I337 V338 R340 L343Y292-W327 HydrophobicContact CD1-CH2 4.4Å; Y292-W327 AromaticContact CD1-CZ3 3.7Å; Y292-W327 HydrophobicContact CD1-CZ3 3.7Å; Y292-W327 HydrophobicContact CD2-CZ3 4.41Å; Y292-W327 AromaticContact CE1-CH2 3.64Å; Y292-W327 HydrophobicContact CE1-CH2 3.64Å; Y292-W327 AromaticContact CE1-CZ3 3.35Å; Y292-W327 HydrophobicContact CE1-CZ3 3.35Å; Y292-W327 HydrophobicContact CE2-CZ3 4.14Å; Y292-W327 HydrophobicContact CG-CZ3 4.24Å; Y292-W327 AromaticContact CZ-CH2 3.84Å; Y292-W327 AromaticContact CZ-CZ3 3.63Å; I316-W327 HydrophobicContact CD1-CB 4.26Å; I316-W327 HydrophobicContact CD1-CE3 4.11Å; I316-W327 HydrophobicContact CG1-CE3 4.01Å; I316-W327 HydrophobicContact CG2-CB 4Å; I316-W327 HydrophobicContact CG2-CD2 4.42Å; I316-W327 HydrophobicContact CG2-CE3 4.24Å; I316-W327 HydrophobicContact CG2-CG 4.38Å; K319-W327 HydrophobicContact CB-CG 4.4Å; K319-W327 HydrophobicContact CD-CZ2 4.36Å; K319-W327 HydrophobicContact CG-CD2 3.94Å; K319-W327 HydrophobicContact CG-CG 3.97Å; K319-W327 HydrophobicContact CG-CZ2 4.41Å; N322-W327 PolarHBondContact OD1-NE1 2.75Å; W327-I337 CarbonylContact O-C 3.57Å; W327-I337 WeakPolarHBondContact O-CA 3.49Å; W327-V338 HydrophobicContact CB-CG2 4.29Å; W327-V338 PolarHBondContact N-O 3.42Å; W327-V338 VanDerWaalsContact O-CG2 3.3Å; W327-V338 WeakPolarHBondContact O-CG2 3.42Å; W327-V338 PolarHBondContact O-N 3.3Å; W327-R340 HydrophobicContact CD2-CB 4.25Å; W327-R340 HydrophobicContact CD2-CG 4.21Å; W327-R340 HydrophobicContact CE3-CG 4.42Å; W327-R340 HydrophobicContact CH2-CG 3.85Å; W327-R340 HydrophobicContact CZ2-CB 4.47Å; W327-R340 VanDerWaalsContact CZ2-CD 3.43Å; W327-R340 HydrophobicContact CZ2-CG 3.59Å; W327-R340 HydrophobicContact CZ3-CG 4.23Å; W327-L343 HydrophobicContact CE3-CD1 3.66Å; W327-L343 HydrophobicContact CZ3-CD1 4.04Å
328V90.8Very high86Confident29 Ų2961.1 Ų61.118%0.17633%0.327CS..EExtended strand (participates in β ladder)trans-88.7118.9174.2-174.40000108.7I316 L317 S318 Y321 I335I316-V328 CarbonylContact C-O 3.42Å; L317-V328 HydrophobicContact CB-CG1 4.36Å; L317-V328 HydrophobicContact CD1-CG1 4.41Å; L317-V328 PolarHBondContact N-O 2.94Å; S318-V328 PolarHBondContact N-O 2.89Å; S318-V328 PolarHBondContact O-N 2.89Å; Y321-V328 HydrophobicContact CD2-CG2 3.89Å; Y321-V328 HydrophobicContact CE2-CG2 3.98Å; V328-I335 HydrophobicContact CG1-CG2 3.84Å
329G93.7Very high86.2Confident0 Ų060.9 Ų60.90%033%0.325CS..EExtended strand (participates in β ladder)trans-116.2151.1179.900000113Y315 I335 G336Y315-G329 CarbonylContact O-C 3.55Å; Y315-G329 VanDerWaalsContact O-CA 3.32Å; Y315-G329 WeakPolarHBondContact O-CA 3.49Å; G329-I335 WeakPolarHBondContact O-CA 3.39Å; G329-G336 PolarHBondContact N-O 3.12Å; G329-G336 PolarHBondContact O-N 2.95Å
330E93.6Very high86.1Confident73 Ų7362.6 Ų62.634%0.34133%0.33SS..EExtended strand (participates in β ladder)trans-109.1136.8162.6-164.2-157.9136.100110.1I314 Y315 L317 G333 A334 I335I314-E330 WeakPolarHBondContact CG2-O 3.38Å; Y315-E330 PolarHBondContact N-O 2.7Å; Y315-E330 PolarHBondContact O-N 2.79Å; L317-E330 HydrophobicContact CD1-CB 4.1Å; L317-E330 HydrophobicContact CG-CB 4.33Å; E330-G333 WeakPolarHBondContact OE1-CA 3.46Å; E330-G333 PolarHBondContact OE1-N 3.27Å; E330-A334 CarbonylContact C-O 3.51Å; E330-A334 WeakPolarHBondContact CA-O 3.49Å; E330-I335 HydrophobicContact CB-CG1 4.2Å; E330-I335 HydrophobicContact CG-CG1 3.86Å
331K91.6Very high86.7Confident31 Ų3161.7 Ų61.714%0.13533%0.33CS..EExtended strand (participates in β ladder)trans-142.4124.2166.1-166.1-164.479.6-175.50110.4L306 S307 F308 E312 I314 G333 A334L306-K331 HydrophobicContact CD1-CB 4.41Å; L306-K331 HydrophobicContact CD2-CB 3.9Å; L306-K331 HydrophobicContact CG-CB 4.45Å; S307-K331 PolarHBondContact O-NZ 3.4Å; F308-K331 HydrophobicContact CB-CD 4.18Å; E312-K331 HydrophobicContact CB-CD 4.32Å; E312-K331 IonicContact OE1-NZ 2.76Å; E312-K331 IonicContact OE2-NZ 3.91Å; E312-K331 PolarHBondContact OE2-NZ 2.87Å; I314-K331 HydrophobicContact CG1-CB 4.47Å; I314-K331 HydrophobicContact CG1-CD 4.38Å; I314-K331 HydrophobicContact CG1-CG 4.47Å; K331-G333 VanDerWaalsContact C-N 3.25Å; K331-G333 PolarHBondContact O-N 3.09Å; K331-A334 PolarHBondContact N-O 3.37Å; K331-A334 PolarHBondContact O-N 3.11Å
332N88.1Confident87.5Confident149 Ų14961.2 Ų61.280%0.79733%0.328SS*.THydrogen-bonded Turntrans55.233.6178.9-55.4-25.9000114.1A334N332-A334 VanDerWaalsContact C-N 3.26Å; N332-A334 PolarHBondContact O-N 3.4Å
333G86Confident88.1Confident61 Ų6159.5 Ų59.563%0.62932%0.318SS*.THydrogen-bonded Turntrans77.51.5-176.100000115.5E330 K331E330-G333 WeakPolarHBondContact OE1-CA 3.46Å; E330-G333 PolarHBondContact OE1-N 3.27Å; K331-G333 VanDerWaalsContact C-N 3.25Å; K331-G333 PolarHBondContact O-N 3.09Å
334A86.6Confident89Confident53 Ų5358.3 Ų58.344%0.43831%0.312SS..EExtended strand (participates in β ladder)trans-92.1132.8164.700000109.4L306 E330 K331 N332L306-A334 HydrophobicContact CD1-CB 3.83Å; L306-A334 WeakPolarHBondContact CD1-O 3.45Å; E330-A334 CarbonylContact C-O 3.51Å; E330-A334 WeakPolarHBondContact CA-O 3.49Å; K331-A334 PolarHBondContact N-O 3.37Å; K331-A334 PolarHBondContact O-N 3.11Å; N332-A334 VanDerWaalsContact C-N 3.26Å; N332-A334 PolarHBondContact O-N 3.4Å
335I91.3Very high89.9Confident110 Ų11059.2 Ų59.256%0.56432%0.317SS*.EExtended strand (participates in β ladder)trans-109.8139.6176.1-62.3171.4000108.2L317 V328 G329 E330L317-I335 HydrophobicContact CD1-CD1 3.92Å; L317-I335 HydrophobicContact CD1-CG1 3.98Å; L317-I335 HydrophobicContact CD1-CG2 3.96Å; V328-I335 HydrophobicContact CG1-CG2 3.84Å; G329-I335 WeakPolarHBondContact O-CA 3.39Å; E330-I335 HydrophobicContact CB-CG1 4.2Å; E330-I335 HydrophobicContact CG-CG1 3.86Å
336G90.2Very high89.8Confident8 Ų860.5 Ų60.58%0.08232%0.317CS..EExtended strand (participates in β ladder)trans-174.7175.8174.300000112.7D304 G329D304-G336 CarbonylContact O-C 3.49Å; D304-G336 WeakPolarHBondContact O-CA 3.28Å; G329-G336 PolarHBondContact N-O 3.12Å; G329-G336 PolarHBondContact O-N 2.95Å
337I90.6Very high89.3Confident41 Ų4162 Ų6221%0.2132%0.323CS..EExtended strand (participates in β ladder)trans-74.9143.6175.263174.3000111.2D304 E305 L306 W326 W327D304-I337 PolarHBondContact O-N 3Å; E305-I337 HydrophobicContact CB-CG1 4.47Å; E305-I337 HydrophobicContact CG-CD1 4.07Å; E305-I337 HydrophobicContact CG-CG1 3.91Å; L306-I337 PolarHBondContact N-O 2.61Å; W326-I337 HydrophobicContact CD2-CD1 4.1Å; W326-I337 HydrophobicContact CE3-CB 4.02Å; W326-I337 HydrophobicContact CE3-CD1 3.82Å; W326-I337 HydrophobicContact CE3-CG1 3.87Å; W326-I337 HydrophobicContact CZ3-CD1 4.14Å; W326-I337 HydrophobicContact CZ3-CG1 4.16Å; W327-I337 CarbonylContact O-C 3.57Å; W327-I337 WeakPolarHBondContact O-CA 3.49Å
338V92.4Very high87.7Confident0 Ų066.8 Ų66.80%035%0.354CS..EExtended strand (participates in β ladder)trans-131.3136.6176.7-72.30000110.4L306 F308 I314 I316 W326 W327 R340 L343L306-V338 HydrophobicContact CB-CG1 3.7Å; L306-V338 HydrophobicContact CD2-CG1 3.76Å; L306-V338 HydrophobicContact CG-CG1 4.22Å; F308-V338 HydrophobicContact CD1-CG1 3.89Å; F308-V338 HydrophobicContact CE1-CB 4Å; F308-V338 HydrophobicContact CE1-CG1 3.63Å; I314-V338 HydrophobicContact CD1-CG1 4.34Å; I316-V338 HydrophobicContact CD1-CG2 3.69Å; W326-V338 WeakPolarHBondContact CA-O 3.26Å; W326-V338 VanDerWaalsContact CE3-C 3.48Å; W327-V338 HydrophobicContact CB-CG2 4.29Å; W327-V338 PolarHBondContact N-O 3.42Å; W327-V338 VanDerWaalsContact O-CG2 3.3Å; W327-V338 WeakPolarHBondContact O-CG2 3.42Å; W327-V338 PolarHBondContact O-N 3.3Å; V338-R340 PolarHBondContact O-N 2.89Å; V338-L343 HydrophobicContact CB-CD1 4.29Å; V338-L343 HydrophobicContact CG2-CD1 3.76Å
339P90.2Very high85.7Confident17 Ų1775.3 Ų75.311%0.1140%0.395CS..EExtended strand (participates in β ladder)trans-75.2122.9-179.726.6-27.4000109.7W326 D341 Y342W326-P339 HydrophobicContact CE3-CB 4.04Å; W326-P339 HydrophobicContact CH2-CB 4.16Å; W326-P339 HydrophobicContact CH2-CG 4.39Å; W326-P339 HydrophobicContact CZ3-CB 3.87Å; W326-P339 HydrophobicContact CZ3-CG 3.99Å; P339-D341 VanDerWaalsContact C-N 3.29Å; P339-D341 PolarHBondContact O-N 2.94Å; P339-Y342 HydrophobicContact CB-CD2 4.03Å; P339-Y342 HydrophobicContact CB-CG 4.47Å; P339-Y342 HydrophobicContact CG-CD1 4.32Å; P339-Y342 HydrophobicContact CG-CD2 3.81Å; P339-Y342 HydrophobicContact CG-CE2 4.37Å; P339-Y342 HydrophobicContact CG-CG 3.8Å; P339-Y342 WeakPolarHBondContact O-CB 3.39Å; P339-Y342 PolarHBondContact O-N 3.45Å
340R87.9Confident85.3Confident110 Ų11079.1 Ų79.142%0.41542%0.415SS..G310 helixtrans-53-43.2-173.1172.8-179.8168-169.9-13.2113N322 G325 W327 V338 Y342 L343N322-R340 WeakPolarHBondContact OD1-CD 3.35Å; N322-R340 PolarHBondContact OD1-NH1 3.36Å; G325-R340 VanDerWaalsContact O-CB 3.26Å; G325-R340 WeakPolarHBondContact O-CB 3.39Å; G325-R340 PolarHBondContact O-N 3.45Å; W327-R340 HydrophobicContact CD2-CB 4.25Å; W327-R340 HydrophobicContact CD2-CG 4.21Å; W327-R340 HydrophobicContact CE3-CG 4.42Å; W327-R340 HydrophobicContact CH2-CG 3.85Å; W327-R340 HydrophobicContact CZ2-CB 4.47Å; W327-R340 VanDerWaalsContact CZ2-CD 3.43Å; W327-R340 HydrophobicContact CZ2-CG 3.59Å; W327-R340 HydrophobicContact CZ3-CG 4.23Å; V338-R340 PolarHBondContact O-N 2.89Å; R340-Y342 PolarHBondContact O-N 3.18Å; R340-Y342 VanDerWaalsContact O-N 3.13Å; R340-L343 WeakPolarHBondContact O-CB 3.05Å; R340-L343 PolarHBondContact O-N 3Å
341D89.5Confident84.8Confident128 Ų12879.4 Ų79.468%0.68442%0.419SS*.G310 helixtrans-71.8-6-175.5-62.7-31.3000113.5P339 L343P339-D341 VanDerWaalsContact C-N 3.29Å; P339-D341 PolarHBondContact O-N 2.94Å; D341-L343 VanDerWaalsContact C-N 3.34Å
342Y89.6Confident84.5Confident99 Ų9982.1 Ų82.139%0.38843%0.434SS..G310 helixtrans-93.87.5172.3-72.6-129.8000111.8G294 L295 W296 C298 P339 R340G294-Y342 CarbonylContact C-O 3.59Å; G294-Y342 WeakPolarHBondContact CA-O 3.39Å; L295-Y342 PolarHBondContact N-O 2.93Å; W296-Y342 HydrophobicContact CB-CD1 3.72Å; W296-Y342 HydrophobicContact CB-CE1 4Å; W296-Y342 AromaticContact CD1-CD1 3.99Å; W296-Y342 HydrophobicContact CG-CD1 4.26Å; W296-Y342 HydrophobicContact CG-CE1 4.49Å; C298-Y342 HydrophobicContact CB-CD1 4.23Å; P339-Y342 HydrophobicContact CB-CD2 4.03Å; P339-Y342 HydrophobicContact CB-CG 4.47Å; P339-Y342 HydrophobicContact CG-CD1 4.32Å; P339-Y342 HydrophobicContact CG-CD2 3.81Å; P339-Y342 HydrophobicContact CG-CE2 4.37Å; P339-Y342 HydrophobicContact CG-CG 3.8Å; P339-Y342 WeakPolarHBondContact O-CB 3.39Å; P339-Y342 PolarHBondContact O-N 3.45Å; R340-Y342 PolarHBondContact O-N 3.18Å; R340-Y342 VanDerWaalsContact O-N 3.13Å
343L90.3Very high84.2Confident16 Ų1678.1 Ų78.18%0.08441%0.413CS..EExtended strand (participates in β ladder)trans-122.5148.6-173.8-56.1176.3000112.8Y292 Q293 F308 I314 I316 W327 V338 R340 D341Y292-L343 HydrophobicContact CD1-CB 4.07Å; Y292-L343 HydrophobicContact CG-CB 4.49Å; Q293-L343 WeakPolarHBondContact O-CA 3.29Å; F308-L343 HydrophobicContact CE2-CD2 4.37Å; F308-L343 HydrophobicContact CZ-CD2 4.01Å; I314-L343 HydrophobicContact CD1-CD2 3.85Å; I316-L343 HydrophobicContact CD1-CD1 3.91Å; W327-L343 HydrophobicContact CE3-CD1 3.66Å; W327-L343 HydrophobicContact CZ3-CD1 4.04Å; V338-L343 HydrophobicContact CB-CD1 4.29Å; V338-L343 HydrophobicContact CG2-CD1 3.76Å; R340-L343 WeakPolarHBondContact O-CB 3.05Å; R340-L343 PolarHBondContact O-N 3Å; D341-L343 VanDerWaalsContact C-N 3.34Å
344L90.1Very high84.1Confident93 Ų9379.2 Ų79.249%0.48740%0.399SS..EExtended strand (participates in β ladder)trans-131.5144.8172.1-179.568.5000109.9Y292 Q293 L295 L346Y292-L344 CarbonylContact C-O 3.57Å; Y292-L344 WeakPolarHBondContact CA-O 3.26Å; Y292-L344 WeakPolarHBondContact CB-O 3.39Å; Q293-L344 PolarHBondContact N-O 3.44Å; Q293-L344 PolarHBondContact O-N 3.48Å; L295-L344 HydrophobicContact CD1-CB 4.25Å; L295-L344 HydrophobicContact CD2-CB 3.81Å; L295-L344 HydrophobicContact CD2-CD2 4.15Å; L295-L344 HydrophobicContact CG-CB 3.95Å; L344-L346 PolarHBondContact O-N 2.86Å
345E89.6Confident84Confident97 Ų9780.9 Ų80.945%0.45340%0.397SS..EExtended strand (participates in β ladder)trans-63.9119.1176.4-72173.4175.200110.4Y292 Y347 V348Y292-E345 HydrophobicContact CD1-CG 3.81Å; Y292-E345 HydrophobicContact CE1-CB 4.27Å; Y292-E345 HydrophobicContact CE1-CG 3.12Å; Y292-E345 HydrophobicContact CE2-CG 4.4Å; Y292-E345 VanDerWaalsContact CZ-CG 3.47Å; Y292-E345 PolarHBondContact OH-OE1 2.94Å; E345-Y347 VanDerWaalsContact C-N 3.32Å; E345-V348 HydrophobicContact CB-CG2 4.03Å
346L82.7Confident83.5Confident53 Ų5378.9 Ų78.928%0.27739%0.385SS..SBendtrans-73.9-28.3-176.6-178.963.4000111.4F291 Q293 A313 L344F291-L346 HydrophobicContact CB-CB 4.26Å; F291-L346 HydrophobicContact CB-CD2 4.25Å; F291-L346 WeakPolarHBondContact O-CB 3.42Å; F291-L346 PolarHBondContact O-N 3.21Å; Q293-L346 HydrophobicContact CB-CB 4.48Å; Q293-L346 HydrophobicContact CB-CD1 4.16Å; A313-L346 HydrophobicContact CB-CD2 3.83Å; L344-L346 PolarHBondContact O-N 2.86Å
347Y76.8Confident82.9Confident115 Ų11584.3 Ų84.345%0.45141%0.408SS..  trans-130.985.1177-57.3-72.8000111Y288 F291 E345 M349Y288-Y347 AromaticContact CD1-CD2 3.81Å; Y288-Y347 HydrophobicContact CD1-CD2 3.81Å; Y288-Y347 AromaticContact CD1-CE2 3.77Å; Y288-Y347 HydrophobicContact CD1-CE2 3.77Å; Y288-Y347 HydrophobicContact CD1-CG 4.36Å; Y288-Y347 HydrophobicContact CE1-CE2 4.47Å; Y288-Y347 HydrophobicContact CG-CD2 4.39Å; F291-Y347 HydrophobicContact CB-CD2 3.93Å; F291-Y347 HydrophobicContact CB-CE2 4.07Å; F291-Y347 HydrophobicContact CG-CE2 4.42Å; E345-Y347 VanDerWaalsContact C-N 3.32Å; Y347-M349 PolarHBondContact O-N 3.21Å
348V59.5Low82.3Confident119 Ų11987.9 Ų87.972%0.72143%0.425SS*.  trans-70.4120.1163.2-1760000108.1E345E345-V348 HydrophobicContact CB-CG2 4.03Å
349M49Very low81.4Confident208 Ų20895.9 Ų95.9100%1.02546%0.463SS*.  trans-95.20175.2-64.2-161.1-164.300112.4Y288 Y347Y288-M349 HydrophobicContact CD2-CE 4.48Å; Y288-M349 HydrophobicContact CG-CE 4.5Å; Y347-M349 PolarHBondContact O-N 3.21Å

Retrieved 349 of 349 residues in 197 ms (Link to these results)

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