A0A096N1U3_PAPAN Loading...

adenylate cyclase

AlphaFold DB (I7G4M3), UniProt , Accession A0A096N1U3, Species PAPAN (Papio anubis, Olive baboon), Gene n/a, Length 294 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
1M60.4Low73.8Confident189 Ų189127.2 Ų127.293%0.93160%0.595SS**  0-37.70-158.9174.6-78.100112.4K5M1-K5 PolarHBondContact O-N 2.7Å
2E71.1Confident74.2Confident167 Ų167120.1 Ų120.178%0.7856%0.564SS**Hα-helixtrans-65.5-40.6177.5-69.9-164137.900114.8V4 K5 L6E2-V4 VanDerWaalsContact C-N 3.31Å; E2-V4 PolarHBondContact O-N 3.01Å; E2-K5 WeakPolarHBondContact O-CB 3.34Å; E2-K5 PolarHBondContact O-N 3.41Å; E2-L6 PolarHBondContact O-N 3.06Å
3K71.8Confident74.6Confident166 Ų166116 Ų11672%0.72254%0.543SS*.Hα-helixtrans-55.7-45.4177.6-167.3176.9179.3-177.30112.3K5 L6 D7K3-K5 VanDerWaalsContact C-N 3.35Å; K3-K5 PolarHBondContact O-N 2.81Å; K3-L6 WeakPolarHBondContact O-CB 3.07Å; K3-L6 PolarHBondContact O-N 2.92Å; K3-L6 VanDerWaalsContact O-N 3.13Å; K3-D7 VanDerWaalsContact O-CG 3.27Å; K3-D7 PolarHBondContact O-N 2.86Å
4V71.6Confident74.9Confident87 Ų87117.7 Ų117.753%0.52756%0.558SS.*Hα-helixtrans-62.5-39.4176.1178.70000111.9E2 L6 N8E2-V4 VanDerWaalsContact C-N 3.31Å; E2-V4 PolarHBondContact O-N 3.01Å; V4-L6 VanDerWaalsContact C-N 3.31Å; V4-L6 PolarHBondContact O-N 3.41Å; V4-N8 VanDerWaalsContact O-CB 3.32Å; V4-N8 WeakPolarHBondContact O-CB 3.31Å; V4-N8 PolarHBondContact O-N 2.69Å; V4-N8 PolarHBondContact O-ND2 3.47Å; V4-N8 PolarHBondContact O-OD1 3.44Å
5K72.8Confident75.3Confident136 Ų136117.3 Ų117.359%0.59156%0.56SS**Hα-helixtrans-66-36.2175.4-70.3-177.3178.1-178.30111.8M1 E2 K3 R9M1-K5 PolarHBondContact O-N 2.7Å; E2-K5 WeakPolarHBondContact O-CB 3.34Å; E2-K5 PolarHBondContact O-N 3.41Å; K3-K5 VanDerWaalsContact C-N 3.35Å; K3-K5 PolarHBondContact O-N 2.81Å; K5-R9 WeakPolarHBondContact O-CG 3.31Å; K5-R9 PolarHBondContact O-N 3.38Å; K5-R9 VanDerWaalsContact O-N 3.09Å
6L74.9Confident75.6Confident95 Ų95110.6 Ų110.650%0.49753%0.528SS..Hα-helixtrans-71.4-43179.4-153120.8000111.4E2 K3 V4 R9 R10E2-L6 PolarHBondContact O-N 3.06Å; K3-L6 WeakPolarHBondContact O-CB 3.07Å; K3-L6 PolarHBondContact O-N 2.92Å; K3-L6 VanDerWaalsContact O-N 3.13Å; V4-L6 VanDerWaalsContact C-N 3.31Å; V4-L6 PolarHBondContact O-N 3.41Å; L6-R9 PolarHBondContact O-N 3.35Å; L6-R10 WeakPolarHBondContact O-CG 3.4Å; L6-R10 PolarHBondContact O-N 3.33Å
7D75.8Confident75.9Confident60 Ų60104.9 Ų104.932%0.32150%0.502SS..Hα-helixtrans-64.6-42.8176-64.9-26.2000111.2K3 R9 R10 I11K3-D7 VanDerWaalsContact O-CG 3.27Å; K3-D7 PolarHBondContact O-N 2.86Å; D7-R9 VanDerWaalsContact C-N 3.32Å; D7-R9 PolarHBondContact O-N 3.47Å; D7-R10 PolarHBondContact O-N 3.28Å; D7-I11 WeakPolarHBondContact O-CG1 3.47Å; D7-I11 PolarHBondContact O-N 3.45Å
8N77.1Confident76.1Confident100 Ų100102.1 Ų102.154%0.53550%0.499SS..Hα-helixtrans-61.9-38.3174.8-72.2-6.2000112.5V4 L12V4-N8 VanDerWaalsContact O-CB 3.32Å; V4-N8 WeakPolarHBondContact O-CB 3.31Å; V4-N8 PolarHBondContact O-N 2.69Å; V4-N8 PolarHBondContact O-ND2 3.47Å; V4-N8 PolarHBondContact O-OD1 3.44Å; N8-L12 WeakPolarHBondContact O-CB 3.46Å; N8-L12 PolarHBondContact O-N 3.21Å; N8-L12 VanDerWaalsContact O-N 3.08Å
9R77.6Confident76.2Confident144 Ų14498.6 Ų98.654%0.54348%0.481SS..Hα-helixtrans-66.4-42.8175.5-78.7177.372.2162.72.2111.5K5 L6 D7 I11 L12 F13K5-R9 WeakPolarHBondContact O-CG 3.31Å; K5-R9 PolarHBondContact O-N 3.38Å; K5-R9 VanDerWaalsContact O-N 3.09Å; L6-R9 PolarHBondContact O-N 3.35Å; D7-R9 VanDerWaalsContact C-N 3.32Å; D7-R9 PolarHBondContact O-N 3.47Å; R9-I11 PolarHBondContact O-N 2.99Å; R9-L12 WeakPolarHBondContact O-CB 3.48Å; R9-L12 PolarHBondContact O-N 2.67Å; R9-F13 HydrophobicContact CB-CD2 4.41Å; R9-F13 HydrophobicContact CB-CE2 4.26Å; R9-F13 WeakPolarHBondContact O-CD2 2.98Å; R9-F13 PolarHBondContact O-N 2.99Å
10R77.4Confident76.4Confident155 Ų15593.7 Ų93.759%0.58546%0.457SS*.Hα-helixtrans-58.6-47.9176.7-74.7174.1172.6179.5-5.6111.5L6 D7 L12 F13 N14L6-R10 WeakPolarHBondContact O-CG 3.4Å; L6-R10 PolarHBondContact O-N 3.33Å; D7-R10 PolarHBondContact O-N 3.28Å; R10-L12 VanDerWaalsContact C-N 3.28Å; R10-L12 PolarHBondContact O-N 3.21Å; R10-F13 PolarHBondContact O-N 3.25Å; R10-N14 VanDerWaalsContact O-CG 3.26Å; R10-N14 PolarHBondContact O-N 3.35Å; R10-N14 PolarHBondContact O-OD1 3.16Å
11I81Confident76.5Confident100 Ų10089.2 Ų89.251%0.51344%0.436SS..Hα-helixtrans-60.1-41.5177.3-64.3167.2000110.7D7 R9 F13 N14 L15D7-I11 WeakPolarHBondContact O-CG1 3.47Å; D7-I11 PolarHBondContact O-N 3.45Å; R9-I11 PolarHBondContact O-N 2.99Å; I11-F13 PolarHBondContact O-N 2.83Å; I11-N14 PolarHBondContact O-N 2.74Å; I11-L15 HydrophobicContact CG2-CD1 4.06Å; I11-L15 WeakPolarHBondContact O-CG 3.42Å; I11-L15 PolarHBondContact O-N 3.43Å; I11-L15 VanDerWaalsContact O-N 3.15Å
12L79.3Confident77.3Confident42 Ų4284.8 Ų84.822%0.2241%0.413CS..Hα-helixtrans-62.6-43.3177.8-174.865.8000112.5N8 R9 R10 N14 L15 L16 A21 L25N8-L12 WeakPolarHBondContact O-CB 3.46Å; N8-L12 PolarHBondContact O-N 3.21Å; N8-L12 VanDerWaalsContact O-N 3.08Å; R9-L12 WeakPolarHBondContact O-CB 3.48Å; R9-L12 PolarHBondContact O-N 2.67Å; R10-L12 VanDerWaalsContact C-N 3.28Å; R10-L12 PolarHBondContact O-N 3.21Å; L12-N14 VanDerWaalsContact C-N 3.28Å; L12-N14 PolarHBondContact O-N 2.94Å; L12-L15 PolarHBondContact O-N 3.11Å; L12-L15 VanDerWaalsContact O-N 3.15Å; L12-L16 HydrophobicContact CD1-CD1 3.97Å; L12-L16 PolarHBondContact O-N 2.96Å; L12-A21 HydrophobicContact CD2-CB 4.12Å; L12-A21 HydrophobicContact CG-CB 3.98Å; L12-L25 HydrophobicContact CD2-CD1 3.91Å; L12-L25 HydrophobicContact CD2-CD2 3.64Å; L12-L25 HydrophobicContact CD2-CG 3.59Å
13F78.9Confident77.6Confident67 Ų6780.9 Ų80.929%0.29439%0.394SS..Hα-helixtrans-71-21.5177.3-72.3-62.4000113.5R9 R10 I11 L15 A18 A21 L25R9-F13 HydrophobicContact CB-CD2 4.41Å; R9-F13 HydrophobicContact CB-CE2 4.26Å; R9-F13 WeakPolarHBondContact O-CD2 2.98Å; R9-F13 PolarHBondContact O-N 2.99Å; R10-F13 PolarHBondContact O-N 3.25Å; I11-F13 PolarHBondContact O-N 2.83Å; F13-L15 VanDerWaalsContact C-N 3.35Å; F13-A18 HydrophobicContact CD1-CB 4.15Å; F13-A18 HydrophobicContact CE1-CB 4.15Å; F13-A21 HydrophobicContact CD1-CB 3.68Å; F13-A21 HydrophobicContact CE1-CB 3.6Å; F13-A21 HydrophobicContact CZ-CB 4.43Å; F13-L25 HydrophobicContact CZ-CD1 4.36Å
14N79.5Confident77.7Confident140 Ų14076 Ų7675%0.74937%0.373SS*.Hα-helixtrans-76.8-24.1170.3-67.6-1.1000112.3R10 I11 L12R10-N14 VanDerWaalsContact O-CG 3.26Å; R10-N14 PolarHBondContact O-N 3.35Å; R10-N14 PolarHBondContact O-OD1 3.16Å; I11-N14 PolarHBondContact O-N 2.74Å; L12-N14 VanDerWaalsContact C-N 3.28Å; L12-N14 PolarHBondContact O-N 2.94Å
15L79.9Confident77.9Confident112 Ų11276.1 Ų76.159%0.58637%0.37SS*.Hα-helixtrans-93.6-31.1-178.1-70174.7000113.3I11 L12 F13I11-L15 HydrophobicContact CG2-CD1 4.06Å; I11-L15 WeakPolarHBondContact O-CG 3.42Å; I11-L15 PolarHBondContact O-N 3.43Å; I11-L15 VanDerWaalsContact O-N 3.15Å; L12-L15 PolarHBondContact O-N 3.11Å; L12-L15 VanDerWaalsContact O-N 3.15Å; F13-L15 VanDerWaalsContact C-N 3.35Å
16L81.1Confident77.7Confident10 Ų1077.1 Ų77.15%0.05238%0.379CS..SBendtrans-133.3144.4-174.7-63.1176000110.6L12 V20 A21 F24 V163L12-L16 HydrophobicContact CD1-CD1 3.97Å; L12-L16 PolarHBondContact O-N 2.96Å; L16-V20 HydrophobicContact CB-CB 4.5Å; L16-V20 HydrophobicContact CB-CG1 4.43Å; L16-V20 HydrophobicContact CD1-CG1 4.35Å; L16-V20 HydrophobicContact CD2-CG1 4.44Å; L16-A21 HydrophobicContact CB-CB 4.2Å; L16-F24 HydrophobicContact CD1-CD2 3.91Å; L16-F24 HydrophobicContact CD1-CE2 4.26Å; L16-V163 HydrophobicContact CD2-CG1 4.33Å; L16-V163 HydrophobicContact CD2-CG2 3.9Å
17P80.8Confident77.1Confident14 Ų1474.3 Ų74.39%0.09137%0.367CS..  trans-41.6143.3165.1-35.739.5000113.5H19 V20 A21 E92 Y171P17-H19 VanDerWaalsContact CB-CE1 3.48Å; P17-H19 WeakPolarHBondContact CB-CE1 3.37Å; P17-H19 PolarHBondContact O-N 3.03Å; P17-H19 VanDerWaalsContact O-N 3.15Å; P17-V20 HydrophobicContact CB-CB 3.98Å; P17-V20 HydrophobicContact CB-CG2 3.71Å; P17-V20 HydrophobicContact CG-CB 4.4Å; P17-V20 HydrophobicContact CG-CG2 3.98Å; P17-V20 PolarHBondContact O-N 2.72Å; P17-A21 WeakPolarHBondContact O-CB 3.45Å; P17-A21 PolarHBondContact O-N 3.46Å; P17-E92 WeakPolarHBondContact CA-OE1 3.46Å; P17-E92 WeakPolarHBondContact CB-OE1 3.25Å; P17-E92 WeakPolarHBondContact CG-OE1 3.37Å; P17-Y171 HydrophobicContact CG-CD1 3.42Å; P17-Y171 VanDerWaalsContact CG-CD1 3.42Å; P17-Y171 HydrophobicContact CG-CD2 4Å; P17-Y171 HydrophobicContact CG-CE1 3.39Å; P17-Y171 HydrophobicContact CG-CE2 3.99Å; P17-Y171 HydrophobicContact CG-CG 3.7Å
18A78.9Confident76.3Confident54 Ų5477.1 Ų77.145%0.44638%0.382SS..Hα-helixtrans-55.9-39.5-177.100000113.4F13 Q22F13-A18 HydrophobicContact CD1-CB 4.15Å; F13-A18 HydrophobicContact CE1-CB 4.15Å; A18-Q22 WeakPolarHBondContact O-CB 3.49Å; A18-Q22 VanDerWaalsContact O-CG 3.24Å; A18-Q22 WeakPolarHBondContact O-CG 3.23Å; A18-Q22 PolarHBondContact O-N 2.84Å; A18-Q22 VanDerWaalsContact O-N 3.1Å
19H77.8Confident75.4Confident35 Ų3577.6 Ų77.616%0.16239%0.391CS..Hα-helixtrans-70.8-35.3178.866.5-84.8000112.7P17 H23 Y39 E92 P109P17-H19 VanDerWaalsContact CB-CE1 3.48Å; P17-H19 WeakPolarHBondContact CB-CE1 3.37Å; P17-H19 PolarHBondContact O-N 3.03Å; P17-H19 VanDerWaalsContact O-N 3.15Å; H19-H23 PolarHBondContact O-N 3.41Å; H19-Y39 PolarHBondContact NE2-OH 2.82Å; H19-E92 IonicContact CE1-OE2 3.78Å; H19-P109 HydrophobicContact CB-CG 3.52Å; H19-P109 VanDerWaalsContact CG-CD 3.46Å
20V79.6Confident74.2Confident0 Ų082.1 Ų82.10%041%0.408CS..Hα-helixtrans-73.1-45176.6-179.60000110.6L16 P17 Q22 H23 F24 Y35 V163 Y171L16-V20 HydrophobicContact CB-CB 4.5Å; L16-V20 HydrophobicContact CB-CG1 4.43Å; L16-V20 HydrophobicContact CD1-CG1 4.35Å; L16-V20 HydrophobicContact CD2-CG1 4.44Å; P17-V20 HydrophobicContact CB-CB 3.98Å; P17-V20 HydrophobicContact CB-CG2 3.71Å; P17-V20 HydrophobicContact CG-CB 4.4Å; P17-V20 HydrophobicContact CG-CG2 3.98Å; P17-V20 PolarHBondContact O-N 2.72Å; V20-Q22 VanDerWaalsContact C-N 3.29Å; V20-Q22 PolarHBondContact O-N 3.47Å; V20-H23 VanDerWaalsContact O-CB 3.31Å; V20-H23 WeakPolarHBondContact O-CB 3.34Å; V20-H23 PolarHBondContact O-N 3.16Å; V20-H23 VanDerWaalsContact O-N 3.09Å; V20-F24 HydrophobicContact CG1-CD2 3.94Å; V20-F24 HydrophobicContact CG1-CE2 3.64Å; V20-F24 VanDerWaalsContact O-CD2 3.26Å; V20-F24 WeakPolarHBondContact O-CD2 3.42Å; V20-F24 PolarHBondContact O-N 3.47Å; V20-F24 VanDerWaalsContact O-N 3.15Å; V20-Y35 HydrophobicContact CB-CE1 4.34Å; V20-Y35 HydrophobicContact CG1-CD1 3.95Å; V20-Y35 HydrophobicContact CG1-CE1 3.96Å; V20-Y35 HydrophobicContact CG1-CG 4.43Å; V20-Y35 HydrophobicContact CG2-CD1 4.36Å; V20-Y35 HydrophobicContact CG2-CE1 3.57Å; V20-V163 HydrophobicContact CG1-CG2 3.55Å; V20-Y171 HydrophobicContact CG2-CD2 4Å; V20-Y171 HydrophobicContact CG2-CE2 3.8Å
21A80.2Confident73.1Confident0 Ų079.1 Ų79.10%040%0.403CS..Hα-helixtrans-58-41.617600000111.7L12 F13 L16 P17 H23 F24 L25L12-A21 HydrophobicContact CD2-CB 4.12Å; L12-A21 HydrophobicContact CG-CB 3.98Å; F13-A21 HydrophobicContact CD1-CB 3.68Å; F13-A21 HydrophobicContact CE1-CB 3.6Å; F13-A21 HydrophobicContact CZ-CB 4.43Å; L16-A21 HydrophobicContact CB-CB 4.2Å; P17-A21 WeakPolarHBondContact O-CB 3.45Å; P17-A21 PolarHBondContact O-N 3.46Å; A21-H23 VanDerWaalsContact C-N 3.34Å; A21-H23 PolarHBondContact O-N 2.92Å; A21-F24 PolarHBondContact O-N 3.17Å; A21-L25 VanDerWaalsContact O-CG 3.31Å; A21-L25 WeakPolarHBondContact O-CG 3.41Å; A21-L25 PolarHBondContact O-N 2.96Å
22Q77.3Confident72.1Confident96 Ų9681.8 Ų81.845%0.44942%0.416SS..Hα-helixtrans-60.9-42174.6-76.5173.619.700112.3A18 V20 F24 L25 M26A18-Q22 WeakPolarHBondContact O-CB 3.49Å; A18-Q22 VanDerWaalsContact O-CG 3.24Å; A18-Q22 WeakPolarHBondContact O-CG 3.23Å; A18-Q22 PolarHBondContact O-N 2.84Å; A18-Q22 VanDerWaalsContact O-N 3.1Å; V20-Q22 VanDerWaalsContact C-N 3.29Å; V20-Q22 PolarHBondContact O-N 3.47Å; Q22-F24 VanDerWaalsContact C-N 3.33Å; Q22-F24 PolarHBondContact O-N 2.85Å; Q22-L25 PolarHBondContact O-N 2.96Å; Q22-M26 WeakPolarHBondContact O-CB 3.41Å; Q22-M26 VanDerWaalsContact O-CG 3.31Å; Q22-M26 WeakPolarHBondContact O-CG 3.34Å; Q22-M26 PolarHBondContact O-N 2.97Å
23H76.6Confident71.4Confident86 Ų8684.7 Ų84.740%0.39843%0.431SS..Hα-helixtrans-56.8-46.6175.1-179.2-84.3000111.4H19 V20 A21 M26 S27 Y35H19-H23 PolarHBondContact O-N 3.41Å; V20-H23 VanDerWaalsContact O-CB 3.31Å; V20-H23 WeakPolarHBondContact O-CB 3.34Å; V20-H23 PolarHBondContact O-N 3.16Å; V20-H23 VanDerWaalsContact O-N 3.09Å; A21-H23 VanDerWaalsContact C-N 3.34Å; A21-H23 PolarHBondContact O-N 2.92Å; H23-M26 PolarHBondContact O-N 2.9Å; H23-S27 PolarHBondContact CE1-OG 2.63Å; H23-S27 VanDerWaalsContact O-CB 3.23Å; H23-S27 WeakPolarHBondContact O-CB 3.46Å; H23-S27 PolarHBondContact O-N 3.37Å; H23-S27 PolarHBondContact O-OG 2.83Å; H23-Y35 HydrophobicContact CB-CD2 4.4Å; H23-Y35 HydrophobicContact CB-CE2 4.28Å; H23-Y35 AromaticContact CE1-CD2 3.86Å; H23-Y35 AromaticContact CG-CD2 3.81Å; H23-Y35 AromaticContact CG-CE2 3.99Å; H23-Y35 AromaticContact ND1-CD2 3.64Å
24F74.3Confident71.2Confident63 Ų6387 Ų8728%0.27645%0.446SS..Hα-helixtrans-70.1-31.7178.2-74.8-75.5000114L16 V20 A21 Q22 Y35 V163L16-F24 HydrophobicContact CD1-CD2 3.91Å; L16-F24 HydrophobicContact CD1-CE2 4.26Å; V20-F24 HydrophobicContact CG1-CD2 3.94Å; V20-F24 HydrophobicContact CG1-CE2 3.64Å; V20-F24 VanDerWaalsContact O-CD2 3.26Å; V20-F24 WeakPolarHBondContact O-CD2 3.42Å; V20-F24 PolarHBondContact O-N 3.47Å; V20-F24 VanDerWaalsContact O-N 3.15Å; A21-F24 PolarHBondContact O-N 3.17Å; Q22-F24 VanDerWaalsContact C-N 3.33Å; Q22-F24 PolarHBondContact O-N 2.85Å; F24-Y35 HydrophobicContact CE2-CG 4.33Å; F24-Y35 HydrophobicContact CZ-CG 4.49Å; F24-V163 HydrophobicContact CE2-CB 4.18Å; F24-V163 HydrophobicContact CE2-CG1 4.42Å; F24-V163 HydrophobicContact CE2-CG2 3.86Å; F24-V163 HydrophobicContact CZ-CB 4.1Å; F24-V163 HydrophobicContact CZ-CG1 4.26Å; F24-V163 HydrophobicContact CZ-CG2 4.29Å
25L74.9Confident71.3Confident89 Ų8981.1 Ų81.147%0.46641%0.414SS..Hα-helixtrans-71.8-31.1175.9-72.7172.7000113L12 F13 A21 Q22L12-L25 HydrophobicContact CD2-CD1 3.91Å; L12-L25 HydrophobicContact CD2-CD2 3.64Å; L12-L25 HydrophobicContact CD2-CG 3.59Å; F13-L25 HydrophobicContact CZ-CD1 4.36Å; A21-L25 VanDerWaalsContact O-CG 3.31Å; A21-L25 WeakPolarHBondContact O-CG 3.41Å; A21-L25 PolarHBondContact O-N 2.96Å; Q22-L25 PolarHBondContact O-N 2.96Å
26M68.8Low71.7Confident158 Ų15883.4 Ų83.478%0.77842%0.416SS*.Hα-helixtrans-89.7-21.3179.4-65.5179.7-17400112.8Q22 H23Q22-M26 WeakPolarHBondContact O-CB 3.41Å; Q22-M26 VanDerWaalsContact O-CG 3.31Å; Q22-M26 WeakPolarHBondContact O-CG 3.34Å; Q22-M26 PolarHBondContact O-N 2.97Å; H23-M26 PolarHBondContact O-N 2.9Å
27S63.4Low72Confident36 Ų3685.8 Ų85.825%0.25243%0.426SS..SBendtrans-74.8144.6178.9-650000111.8H23H23-S27 PolarHBondContact CE1-OG 2.63Å; H23-S27 VanDerWaalsContact O-CB 3.23Å; H23-S27 WeakPolarHBondContact O-CB 3.46Å; H23-S27 PolarHBondContact O-N 3.37Å; H23-S27 PolarHBondContact O-OG 2.83Å
28N58.1Low72.5Confident119 Ų11989.1 Ų89.164%0.63645%0.45SS*.  trans-63.4136.4179.1-144.813.1000109.4R30 N31N28-R30 PolarHBondContact O-N 3.25Å; N28-N31 PolarHBondContact O-N 2.95Å
29P58Low73.1Confident110 Ų11087.7 Ų87.771%0.71443%0.433SS*.THydrogen-bonded Turntrans-59.4-14.8-175.1-24.832.9000115.4
30R53.5Low73.7Confident238 Ų23890.5 Ų90.590%0.89846%0.457SS*.THydrogen-bonded Turntrans-89.6-12.1176.8-64.2-171.8-179.8-176.10.5113.6N28 M32N28-R30 PolarHBondContact O-N 3.25Å; R30-M32 PolarHBondContact O-N 3.43Å
31N54.5Low74.3Confident92 Ų9294.3 Ų94.349%0.49248%0.475SS..  trans-100.369.8-179.7-136.550.9000109.4N28 D33N28-N31 PolarHBondContact O-N 2.95Å; N31-D33 VanDerWaalsContact CG-OD2 3.27Å; N31-D33 PolarHBondContact ND2-OD2 2.84Å; N31-D33 PolarHBondContact O-N 3.22Å; N31-D33 VanDerWaalsContact O-N 3.07Å; N31-D33 PolarHBondContact OD1-OD2 3.15Å
32M59.2Low75Confident156 Ų15694.3 Ų94.377%0.76848%0.475SS*.  trans-79.441.3170.9-74.4-77-179.800110.7R30R30-M32 PolarHBondContact O-N 3.43Å
33D65.3Low75.9Confident103 Ų10389.7 Ų89.755%0.55145%0.453SS*.  trans-68.2145.2176.9-70.1-26.8000109.3N31 Y35N31-D33 VanDerWaalsContact CG-OD2 3.27Å; N31-D33 PolarHBondContact ND2-OD2 2.84Å; N31-D33 PolarHBondContact O-N 3.22Å; N31-D33 VanDerWaalsContact O-N 3.07Å; N31-D33 PolarHBondContact OD1-OD2 3.15Å; D33-Y35 PolarHBondContact O-N 3.05Å
34L73.8Confident77Confident115 Ų11585.6 Ų85.660%0.60243%0.434SS*.  trans-54.2114.9177.5176.468.4000109.8Y36 V163L34-Y36 PolarHBondContact O-N 3.2Å; L34-V163 WeakPolarHBondContact CD1-O 3.33Å
35Y82Confident78.1Confident17 Ų1782.6 Ų82.67%0.06742%0.421CS..  trans-74.5122.4169.2176.7-93.8000109.1V20 H23 F24 D33 Q37 G162 V163V20-Y35 HydrophobicContact CB-CE1 4.34Å; V20-Y35 HydrophobicContact CG1-CD1 3.95Å; V20-Y35 HydrophobicContact CG1-CE1 3.96Å; V20-Y35 HydrophobicContact CG1-CG 4.43Å; V20-Y35 HydrophobicContact CG2-CD1 4.36Å; V20-Y35 HydrophobicContact CG2-CE1 3.57Å; H23-Y35 HydrophobicContact CB-CD2 4.4Å; H23-Y35 HydrophobicContact CB-CE2 4.28Å; H23-Y35 AromaticContact CE1-CD2 3.86Å; H23-Y35 AromaticContact CG-CD2 3.81Å; H23-Y35 AromaticContact CG-CE2 3.99Å; H23-Y35 AromaticContact ND1-CD2 3.64Å; F24-Y35 HydrophobicContact CE2-CG 4.33Å; F24-Y35 HydrophobicContact CZ-CG 4.49Å; D33-Y35 PolarHBondContact O-N 3.05Å; Y35-Q37 PolarHBondContact OH-OE1 3.28Å; Y35-G162 CarbonylContact O-C 3.53Å; Y35-G162 WeakPolarHBondContact O-CA 3.41Å; Y35-V163 HydrophobicContact CD1-CG2 4.05Å; Y35-V163 PolarHBondContact O-N 3.02Å
36Y87.4Confident79.2Confident160 Ų16079 Ų7963%0.62740%0.402SS*.EExtended strand (participates in β ladder)trans-143.6148.9170.176.3-81.3000110.6L34 A161L34-Y36 PolarHBondContact O-N 3.2Å; Y36-A161 CarbonylContact C-O 3.57Å; Y36-A161 VanDerWaalsContact CA-O 3.25Å; Y36-A161 WeakPolarHBondContact CA-O 3.34Å
37Q88.8Confident80.7Confident60 Ų6071.5 Ų71.528%0.2837%0.365SS..EExtended strand (participates in β ladder)trans-144.8131.9175.7-174.9167.1-22.600110.2Y35 Y39 V160 A161Y35-Q37 PolarHBondContact OH-OE1 3.28Å; Q37-Y39 HydrophobicContact CB-CE2 3.75Å; Q37-Y39 VanDerWaalsContact CD-CZ 3.47Å; Q37-Y39 HydrophobicContact CG-CD2 4.28Å; Q37-Y39 HydrophobicContact CG-CE1 4.36Å; Q37-Y39 HydrophobicContact CG-CE2 3.58Å; Q37-Y39 PolarHBondContact NE2-OH 2.8Å; Q37-Y39 WeakPolarHBondContact O-CD2 3.47Å; Q37-Y39 PolarHBondContact OE1-OH 2.92Å; Q37-V160 CarbonylContact O-C 3.56Å; Q37-V160 WeakPolarHBondContact O-CA 3.16Å; Q37-A161 PolarHBondContact N-O 3.19Å; Q37-A161 PolarHBondContact O-N 2.88Å
38S90.1Very high82.3Confident84 Ų8470 Ų7059%0.58735%0.354SS*.EExtended strand (participates in β ladder)trans-94.7134177.2-64.60000110.8
39Y91.7Very high84.1Confident25 Ų2564.4 Ų64.410%0.09833%0.325CS..EExtended strand (participates in β ladder)trans-122.4132.4177.7-60.6-97.7000109.5H19 Q37 V42 L107 P158 V159 A161H19-Y39 PolarHBondContact NE2-OH 2.82Å; Q37-Y39 HydrophobicContact CB-CE2 3.75Å; Q37-Y39 VanDerWaalsContact CD-CZ 3.47Å; Q37-Y39 HydrophobicContact CG-CD2 4.28Å; Q37-Y39 HydrophobicContact CG-CE1 4.36Å; Q37-Y39 HydrophobicContact CG-CE2 3.58Å; Q37-Y39 PolarHBondContact NE2-OH 2.8Å; Q37-Y39 WeakPolarHBondContact O-CD2 3.47Å; Q37-Y39 PolarHBondContact OE1-OH 2.92Å; Y39-V42 VanDerWaalsContact CB-CG2 3.43Å; Y39-V42 HydrophobicContact CD1-CG2 4.49Å; Y39-V42 HydrophobicContact CG-CG2 4.06Å; Y39-L107 HydrophobicContact CD1-CD2 4.41Å; Y39-L107 HydrophobicContact CD2-CD2 3.85Å; Y39-L107 HydrophobicContact CE1-CD2 4.45Å; Y39-L107 WeakPolarHBondContact CE1-O 3.49Å; Y39-L107 HydrophobicContact CE2-CD2 3.91Å; Y39-L107 HydrophobicContact CG-CD2 4.11Å; Y39-L107 VanDerWaalsContact CZ-O 3.25Å; Y39-L107 PolarHBondContact OH-O 3.2Å; Y39-P158 CarbonylContact O-C 3.5Å; Y39-P158 WeakPolarHBondContact O-CA 3.43Å; Y39-V159 HydrophobicContact CD2-CG2 4.4Å; Y39-V159 PolarHBondContact N-O 2.88Å; Y39-V159 PolarHBondContact O-N 3.48Å; Y39-V159 VanDerWaalsContact O-O 3.13Å; Y39-A161 HydrophobicContact CD2-CB 4.22Å; Y39-A161 HydrophobicContact CE2-CB 3.68Å
40S90.7Very high85.8Confident94 Ų9460.4 Ų60.466%0.65730%0.298SS*.EExtended strand (participates in β ladder)trans-81-29.7-175.656.40000113.7G157 P158S40-G157 CarbonylContact O-C 3.59Å; S40-P158 WeakPolarHBondContact O-CA 3.34Å
41Q91.3Very high87.5Confident79 Ų7950.8 Ų50.837%0.36927%0.265SS..EExtended strand (participates in β ladder)trans-144.2105.6-175.8-69.8-66.2-67.900109.8I119Q41-I119 HydrophobicContact CB-CB 4.44Å; Q41-I119 HydrophobicContact CB-CD1 3.95Å; Q41-I119 HydrophobicContact CB-CG1 4.06Å
42V95.6Very high89.1Confident0 Ų046.8 Ų46.80%024%0.243CC..EExtended strand (participates in β ladder)trans-131.1132.1177.3173.90000108.2Y39 V44 A104 V105 L107 V156 G157 V159Y39-V42 VanDerWaalsContact CB-CG2 3.43Å; Y39-V42 HydrophobicContact CD1-CG2 4.49Å; Y39-V42 HydrophobicContact CG-CG2 4.06Å; V42-V44 HydrophobicContact CG1-CG2 4.04Å; V42-A104 HydrophobicContact CG1-CB 3.97Å; V42-V105 WeakPolarHBondContact CA-O 3.34Å; V42-V105 WeakPolarHBondContact CG1-O 3.42Å; V42-L107 HydrophobicContact CG1-CD2 3.98Å; V42-L107 HydrophobicContact CG1-CG 4.05Å; V42-L107 HydrophobicContact CG2-CD2 3.83Å; V42-L107 HydrophobicContact CG2-CG 4.45Å; V42-V156 WeakPolarHBondContact O-CA 3.44Å; V42-G157 PolarHBondContact N-O 3Å; V42-G157 PolarHBondContact O-N 3.31Å; V42-G157 VanDerWaalsContact O-N 3.09Å; V42-V159 HydrophobicContact CB-CG1 4.31Å; V42-V159 HydrophobicContact CB-CG2 3.67Å; V42-V159 HydrophobicContact CG1-CG2 3.99Å; V42-V159 HydrophobicContact CG2-CG2 3.45Å; V42-V159 VanDerWaalsContact CG2-CG2 3.45Å
43G97.3Very high90.1Very high0 Ų044.8 Ų44.80%024%0.236CC..EExtended strand (participates in β ladder)trans-83.6129.7169.300000109.2A104 V105G43-A104 CarbonylContact O-C 3.56Å; G43-A104 WeakPolarHBondContact O-CA 3.5Å; G43-A104 WeakPolarHBondContact O-CB 3.15Å; G43-V105 PolarHBondContact N-O 3.41Å; G43-V105 PolarHBondContact O-N 2.88Å
44V98.3Very high90.8Very high0 Ų046 Ų460%024%0.242CC..EExtended strand (participates in β ladder)trans-123.1134-179.3-176.80000108.8V42 F46 M102 A104 I154 N155 V159 I173 T177 V178 A181V42-V44 HydrophobicContact CG1-CG2 4.04Å; V44-F46 HydrophobicContact CG1-CD2 4.24Å; V44-F46 HydrophobicContact CG1-CE2 3.84Å; V44-M102 HydrophobicContact CG1-CE 4.42Å; V44-A104 HydrophobicContact CG2-CB 4.4Å; V44-I154 WeakPolarHBondContact O-CA 3.13Å; V44-N155 PolarHBondContact N-O 3.34Å; V44-N155 PolarHBondContact O-N 2.83Å; V44-V159 HydrophobicContact CG2-CG1 4.33Å; V44-I173 HydrophobicContact CG1-CD1 4.35Å; V44-I173 HydrophobicContact CG2-CD1 3.9Å; V44-T177 HydrophobicContact CG2-CG2 4.13Å; V44-V178 HydrophobicContact CG2-CG2 4.35Å; V44-A181 HydrophobicContact CB-CB 3.97Å; V44-A181 HydrophobicContact CG1-CB 3.85Å
45M98.3Very high90.8Very high0 Ų043.7 Ų43.70%023%0.227CC..EExtended strand (participates in β ladder)trans-123.9137.6178.5-177.1-18077.400111A47 A103 L126 F129 A130 M133 V152 G153 I154M45-A47 HydrophobicContact CE-CB 4.25Å; M45-A103 HydrophobicContact CE-CB 4.22Å; M45-A103 PolarHBondContact N-O 2.89Å; M45-A103 PolarHBondContact O-N 3.36Å; M45-A103 VanDerWaalsContact O-N 3.08Å; M45-L126 HydrophobicContact CB-CD1 3.89Å; M45-L126 HydrophobicContact CB-CD2 4.11Å; M45-L126 HydrophobicContact CB-CG 4.2Å; M45-L126 HydrophobicContact SD-CD1 4.23Å; M45-F129 HydrophobicContact CE-CD1 3.64Å; M45-F129 HydrophobicContact CE-CE1 3.6Å; M45-F129 HydrophobicContact SD-CD1 4.45Å; M45-A130 HydrophobicContact SD-CB 3.65Å; M45-M133 HydrophobicContact CE-SD 3.54Å; M45-M133 VanDerWaalsContact CE-SD 3.54Å; M45-M133 HydrophobicContact SD-SD 4.42Å; M45-V152 HydrophobicContact CG-CG1 3.46Å; M45-V152 VanDerWaalsContact CG-CG1 3.46Å; M45-V152 HydrophobicContact SD-CG1 3.64Å; M45-G153 WeakPolarHBondContact CA-O 3.44Å; M45-I154 HydrophobicContact CB-CG1 4.36Å; M45-I154 HydrophobicContact CG-CG1 4.06Å
46F98.6Very high90.3Very high13 Ų1346.8 Ų46.86%0.05724%0.239CC..EExtended strand (participates in β ladder)trans-116.9121.6163.8-75.9-103.3000107.7V44 I97 T100 M102 V152 G153 V178 A181 D185V44-F46 HydrophobicContact CG1-CD2 4.24Å; V44-F46 HydrophobicContact CG1-CE2 3.84Å; F46-I97 HydrophobicContact CE1-CD1 4.46Å; F46-T100 HydrophobicContact CB-CG2 4.24Å; F46-T100 HydrophobicContact CD1-CG2 3.84Å; F46-M102 HydrophobicContact CE1-CB 4.38Å; F46-M102 HydrophobicContact CE1-CG 4.06Å; F46-M102 HydrophobicContact CE1-SD 3.95Å; F46-M102 HydrophobicContact CE2-CE 4.32Å; F46-M102 HydrophobicContact CE2-CG 4.26Å; F46-M102 HydrophobicContact CE2-SD 4.41Å; F46-M102 HydrophobicContact CZ-CE 3.94Å; F46-M102 HydrophobicContact CZ-CG 3.92Å; F46-M102 HydrophobicContact CZ-SD 3.65Å; F46-V152 CarbonylContact O-C 3.59Å; F46-V152 VanDerWaalsContact O-CA 3.31Å; F46-V152 WeakPolarHBondContact O-CA 3.25Å; F46-G153 PolarHBondContact N-O 2.87Å; F46-G153 PolarHBondContact O-N 3.34Å; F46-V178 HydrophobicContact CE2-CG1 3.96Å; F46-V178 HydrophobicContact CZ-CG1 3.85Å; F46-A181 HydrophobicContact CD2-CB 3.74Å; F46-A181 HydrophobicContact CE2-CB 3.94Å; F46-D185 HydrophobicContact CB-CB 3.64Å
47A98.2Very high89.3Confident1 Ų143.5 Ų43.51%0.00823%0.232CC..EExtended strand (participates in β ladder)trans-117.6107.5175.500000108.5M45 T100 Y101 M133 L150 R151 V152M45-A47 HydrophobicContact CE-CB 4.25Å; A47-T100 CarbonylContact O-C 3.54Å; A47-T100 WeakPolarHBondContact O-CA 3.17Å; A47-Y101 PolarHBondContact N-O 3.07Å; A47-Y101 PolarHBondContact O-N 2.6Å; A47-M133 HydrophobicContact CB-CE 3.76Å; A47-M133 HydrophobicContact CB-SD 4.17Å; A47-L150 HydrophobicContact CB-CD1 4.2Å; A47-R151 CarbonylContact C-O 3.54Å; A47-R151 WeakPolarHBondContact CA-O 3.28Å; A47-V152 HydrophobicContact CB-CG1 4.42Å; A47-V152 HydrophobicContact CB-CG2 3.92Å
48S97.5Very high88Confident4 Ų447 Ų473%0.02825%0.248CC..EExtended strand (participates in β ladder)trans-108.4152.3-177.966.40000111.6P50 R151 D185S48-P50 WeakPolarHBondContact O-CD 3.27Å; S48-R151 PolarHBondContact N-O 2.6Å; S48-R151 PolarHBondContact O-N 3.07Å; S48-R151 PolarHBondContact OG-NE 3.22Å; S48-R151 PolarHBondContact OG-NH2 2.85Å; S48-R151 VanDerWaalsContact OG-NH2 3.07Å; S48-D185 WeakPolarHBondContact CB-OD1 3.22Å; S48-D185 VanDerWaalsContact OG-CG 3.26Å; S48-D185 PolarHBondContact OG-OD1 3.04Å; S48-D185 PolarHBondContact OG-OD2 2.81Å
49I96.4Very high86.5Confident2 Ų248.2 Ų48.21%0.0125%0.247CC..  trans-11092.1170.5-53.9171.3000107.1N51 F52 I75 S99 L137 F148 L150I49-N51 WeakPolarHBondContact CG2-OD1 3.3Å; I49-N51 PolarHBondContact O-N 3.16Å; I49-F52 HydrophobicContact CB-CB 4.14Å; I49-F52 HydrophobicContact CG2-CB 3.88Å; I49-F52 WeakPolarHBondContact O-CB 3.11Å; I49-F52 PolarHBondContact O-N 3.48Å; I49-I75 HydrophobicContact CD1-CD1 4.06Å; I49-I75 HydrophobicContact CD1-CG2 3.72Å; I49-S99 PolarHBondContact N-O 2.87Å; I49-S99 PolarHBondContact O-OG 3.24Å; I49-L137 HydrophobicContact CD1-CD1 4.26Å; I49-F148 HydrophobicContact CG2-CB 3.79Å; I49-F148 HydrophobicContact CG2-CD1 3.86Å; I49-F148 HydrophobicContact CG2-CG 4.09Å; I49-L150 HydrophobicContact CG1-CD1 4.07Å
50P92.9Very high84.6Confident25 Ų2554.3 Ų54.316%0.16228%0.281CS..THydrogen-bonded Turntrans-67.7-36.4-168.3-25.439.4000113.2S48 F52 V149 R151 Q190S48-P50 WeakPolarHBondContact O-CD 3.27Å; P50-F52 PolarHBondContact O-N 3.01Å; P50-V149 WeakPolarHBondContact CD-O 3.15Å; P50-R151 HydrophobicContact CG-CB 3.99Å; P50-Q190 HydrophobicContact CB-CG 4.38Å; P50-Q190 HydrophobicContact CG-CG 4.12Å
51N90.1Very high83.1Confident36 Ų3653.7 Ų53.719%0.19329%0.29CS..THydrogen-bonded Turntrans-78.7-0.6-179.865.8-33.8000113.9I49 N53 D54 F55 D147 V149I49-N51 WeakPolarHBondContact CG2-OD1 3.3Å; I49-N51 PolarHBondContact O-N 3.16Å; N51-N53 VanDerWaalsContact C-N 3.3Å; N51-N53 PolarHBondContact O-N 3.22Å; N51-D54 PolarHBondContact O-N 3.39Å; N51-F55 PolarHBondContact O-N 3.25Å; N51-D147 PolarHBondContact ND2-O 2.72Å; N51-V149 PolarHBondContact OD1-N 2.81Å
52F87.9Confident81.4Confident9 Ų951.3 Ų51.34%0.03928%0.28CS..Hα-helixtrans-65.9-33.6173.2-171.8-90.4000112.2I49 P50 D54 F55 Y56 C68 L72 F148I49-F52 HydrophobicContact CB-CB 4.14Å; I49-F52 HydrophobicContact CG2-CB 3.88Å; I49-F52 WeakPolarHBondContact O-CB 3.11Å; I49-F52 PolarHBondContact O-N 3.48Å; P50-F52 PolarHBondContact O-N 3.01Å; F52-D54 VanDerWaalsContact C-N 3.3Å; F52-D54 PolarHBondContact O-N 2.83Å; F52-F55 HydrophobicContact CD2-CD1 4.31Å; F52-F55 HydrophobicContact CE2-CD1 4.03Å; F52-F55 HydrophobicContact CE2-CE1 4.4Å; F52-F55 WeakPolarHBondContact O-CB 3.33Å; F52-F55 PolarHBondContact O-N 3.16Å; F52-Y56 PolarHBondContact O-N 2.83Å; F52-C68 HydrophobicContact CZ-CB 4.27Å; F52-C68 WeakPolarHBondContact CZ-O 3.4Å; F52-L72 HydrophobicContact CE1-CB 4.3Å; F52-L72 HydrophobicContact CE1-CD2 4Å; F52-L72 HydrophobicContact CE2-CB 3.81Å; F52-L72 HydrophobicContact CE2-CD1 4.33Å; F52-L72 HydrophobicContact CZ-CB 3.57Å; F52-L72 HydrophobicContact CZ-CD1 4.4Å; F52-L72 HydrophobicContact CZ-CD2 4.12Å; F52-L72 HydrophobicContact CZ-CG 4.24Å; F52-F148 HydrophobicContact CD2-CD1 4.36Å; F52-F148 AromaticContact CD2-CE1 3.77Å; F52-F148 HydrophobicContact CD2-CE1 3.77Å; F52-F148 HydrophobicContact CD2-CZ 4.14Å; F52-F148 HydrophobicContact CE2-CE1 4.49Å; F52-F148 HydrophobicContact CE2-CZ 4.44Å
53N80Confident79.9Confident114 Ų11456.1 Ų56.161%0.6131%0.305SS*.Hα-helixtrans-64.9-36.6177.6-70.5-21.4000111.8N51 F55 Y56N51-N53 VanDerWaalsContact C-N 3.3Å; N51-N53 PolarHBondContact O-N 3.22Å; N53-F55 VanDerWaalsContact C-N 3.33Å; N53-Y56 PolarHBondContact O-N 2.97Å
54D79.1Confident78.4Confident129 Ų12961 Ų6169%0.6933%0.33SS*.Hα-helixtrans-72.7-30.5177.6-57.8-38.6000111.5N51 F52 Y56N51-D54 PolarHBondContact O-N 3.39Å; F52-D54 VanDerWaalsContact C-N 3.3Å; F52-D54 PolarHBondContact O-N 2.83Å; D54-Y56 VanDerWaalsContact C-N 3.35Å
55F75.1Confident77.1Confident66 Ų6661 Ų6129%0.28933%0.33SS..Hα-helixtrans-71.2-29.1172.9175.1-102.7000112.9N51 F52 N53 I57 C68 L71 N146 F148N51-F55 PolarHBondContact O-N 3.25Å; F52-F55 HydrophobicContact CD2-CD1 4.31Å; F52-F55 HydrophobicContact CE2-CD1 4.03Å; F52-F55 HydrophobicContact CE2-CE1 4.4Å; F52-F55 WeakPolarHBondContact O-CB 3.33Å; F52-F55 PolarHBondContact O-N 3.16Å; N53-F55 VanDerWaalsContact C-N 3.33Å; F55-I57 PolarHBondContact O-N 3.43Å; F55-C68 HydrophobicContact CD1-CB 4.17Å; F55-C68 HydrophobicContact CE1-CB 3.81Å; F55-C68 VanDerWaalsContact CE1-SG 3.55Å; F55-L71 HydrophobicContact CE1-CD2 3.95Å; F55-L71 HydrophobicContact CZ-CD2 3.82Å; F55-N146 WeakPolarHBondContact CE2-OD1 3.39Å; F55-F148 HydrophobicContact CB-CE1 3.96Å; F55-F148 AromaticContact CD1-CE1 3.98Å; F55-F148 HydrophobicContact CD1-CE1 3.98Å; F55-F148 AromaticContact CD1-CZ 3.8Å; F55-F148 HydrophobicContact CD1-CZ 3.8Å; F55-F148 HydrophobicContact CD2-CE1 4.37Å; F55-F148 HydrophobicContact CD2-CZ 4.22Å; F55-F148 AromaticContact CE1-CZ 3.95Å; F55-F148 HydrophobicContact CE1-CZ 3.95Å; F55-F148 HydrophobicContact CE2-CZ 4.37Å; F55-F148 AromaticContact CG-CE1 3.86Å; F55-F148 HydrophobicContact CG-CE1 3.86Å; F55-F148 AromaticContact CG-CZ 3.94Å; F55-F148 HydrophobicContact CG-CZ 3.94Å; F55-F148 HydrophobicContact CZ-CZ 4.24Å
56Y71.9Confident76.3Confident82 Ų8263.9 Ų63.932%0.32235%0.347SS..  trans-73.290.9178.3-171.4-98.6000110.9F52 N53 D54 E58 C68F52-Y56 PolarHBondContact O-N 2.83Å; N53-Y56 PolarHBondContact O-N 2.97Å; D54-Y56 VanDerWaalsContact C-N 3.35Å; Y56-E58 HydrophobicContact CE1-CG 3.68Å; Y56-E58 WeakPolarHBondContact CE1-OE1 3.1Å; Y56-E58 PolarHBondContact OH-OE1 3.49Å; Y56-C68 HydrophobicContact CD2-CB 3.79Å; Y56-C68 HydrophobicContact CE2-CB 4.35Å
57I66.5Low75.4Confident90 Ų9066.9 Ų66.946%0.46236%0.361SS..  trans-113.2108177.4-55.5174.5000109.4F55 L59 N62F55-I57 PolarHBondContact O-N 3.43Å; I57-L59 HydrophobicContact CG2-CD1 3.44Å; I57-L59 VanDerWaalsContact CG2-CD1 3.44Å; I57-L59 HydrophobicContact CG2-CG 3.62Å; I57-L59 PolarHBondContact O-N 3.3Å; I57-N62 PolarHBondContact O-ND2 2.79Å
58E61Low74.8Confident135 Ų13567 Ų6763%0.63136%0.362SS*.  trans-70.995.6172-68.3-179.8-174.600110.4Y56Y56-E58 HydrophobicContact CE1-CG 3.68Å; Y56-E58 WeakPolarHBondContact CE1-OE1 3.1Å; Y56-E58 PolarHBondContact OH-OE1 3.49Å
59L57.8Low74.3Confident108 Ų10871.5 Ų71.557%0.56539%0.385SS*.  trans-126150.6173.7-77.1165.1000111I57 G61 N62 M64I57-L59 HydrophobicContact CG2-CD1 3.44Å; I57-L59 VanDerWaalsContact CG2-CD1 3.44Å; I57-L59 HydrophobicContact CG2-CG 3.62Å; I57-L59 PolarHBondContact O-N 3.3Å; L59-G61 PolarHBondContact O-N 3.23Å; L59-G61 VanDerWaalsContact O-N 3.11Å; L59-N62 WeakPolarHBondContact O-CB 3.39Å; L59-N62 PolarHBondContact O-N 3.31Å; L59-M64 WeakPolarHBondContact O-CE 3.44Å
60D52.4Low73.9Confident153 Ų15378.2 Ų78.282%0.81841%0.41SS*.G310 helixtrans-53.7-29.3174.1-72.8-40.1000113.4M64D60-M64 HydrophobicContact CB-CE 4.15Å; D60-M64 WeakPolarHBondContact OD1-CE 3.34Å
61G59Low73.8Confident81 Ų8177.9 Ų77.984%0.83541%0.407SS*.G310 helixtrans-81.3-6.4176.500000116.3L59L59-G61 PolarHBondContact O-N 3.23Å; L59-G61 VanDerWaalsContact O-N 3.11Å
62N55.6Low73.9Confident30 Ų3077.2 Ų77.216%0.1640%0.404CS..G310 helixtrans-95.9-5.7-177.9164.2-26.2000112.4I57 L59 G65 C68I57-N62 PolarHBondContact O-ND2 2.79Å; L59-N62 WeakPolarHBondContact O-CB 3.39Å; L59-N62 PolarHBondContact O-N 3.31Å; N62-G65 WeakPolarHBondContact OD1-CA 3.37Å; N62-G65 PolarHBondContact OD1-N 2.97Å; N62-C68 PolarHBondContact ND2-SG 3.36Å
63N64.6Low74.2Confident100 Ų10082.1 Ų82.154%0.53543%0.43SS..THydrogen-bonded Turntrans6342-158.1-57.6-28.1000111.6G65 V66 E67N63-G65 PolarHBondContact O-N 3.37Å; N63-V66 HydrophobicContact CB-CB 4.3Å; N63-V66 WeakPolarHBondContact O-CB 3.44Å; N63-V66 WeakPolarHBondContact O-CG2 3.41Å; N63-V66 PolarHBondContact O-N 3.27Å; N63-E67 PolarHBondContact ND2-OE1 3.48Å; N63-E67 VanDerWaalsContact ND2-OE1 3.11Å
64M64.3Low74.9Confident104 Ų10480.7 Ų80.751%0.51242%0.42SS..THydrogen-bonded Turntrans61.435.5173.5-57.1-73.9100.900115.3L59 D60L59-M64 WeakPolarHBondContact O-CE 3.44Å; D60-M64 HydrophobicContact CB-CE 4.15Å; D60-M64 WeakPolarHBondContact OD1-CE 3.34Å
65G71.6Confident75.7Confident0 Ų074.5 Ų74.50%039%0.387CS..THydrogen-bonded Turntrans87.1-0.7178.500000114.7N62 N63 E67 C68 L69N62-G65 WeakPolarHBondContact OD1-CA 3.37Å; N62-G65 PolarHBondContact OD1-N 2.97Å; N63-G65 PolarHBondContact O-N 3.37Å; G65-E67 PolarHBondContact O-N 2.97Å; G65-C68 WeakPolarHBondContact O-CB 3.47Å; G65-C68 PolarHBondContact O-N 3.43Å; G65-L69 PolarHBondContact O-N 3.08Å
66V81.3Confident76.7Confident59 Ų5972.2 Ų72.236%0.35838%0.377SS..Hα-helixtrans-65.1-40.2-175.6171.60000112.2N63 C68 L69 R70N63-V66 HydrophobicContact CB-CB 4.3Å; N63-V66 WeakPolarHBondContact O-CB 3.44Å; N63-V66 WeakPolarHBondContact O-CG2 3.41Å; N63-V66 PolarHBondContact O-N 3.27Å; V66-C68 VanDerWaalsContact C-N 3.29Å; V66-C68 PolarHBondContact O-N 3.25Å; V66-L69 PolarHBondContact O-N 3.45Å; V66-R70 PolarHBondContact O-N 3.07Å
67E81.1Confident77.8Confident77 Ų7770.2 Ų70.236%0.3638%0.378SS..Hα-helixtrans-66.2-34.8179.2-57.7-50.414300111.5N63 G65 L69 R70 L71N63-E67 PolarHBondContact ND2-OE1 3.48Å; N63-E67 VanDerWaalsContact ND2-OE1 3.11Å; G65-E67 PolarHBondContact O-N 2.97Å; E67-L69 VanDerWaalsContact C-N 3.33Å; E67-L69 PolarHBondContact O-N 2.68Å; E67-R70 PolarHBondContact O-N 2.97Å; E67-R70 IonicContact OE1-CZ 3Å; E67-R70 IonicContact OE1-NH1 2.84Å; E67-R70 PolarHBondContact OE1-NH1 2.87Å; E67-R70 IonicContact OE2-CZ 2.68Å; E67-R70 IonicContact OE2-NH1 2.76Å; E67-R70 PolarHBondContact OE2-NH1 2.84Å; E67-L71 PolarHBondContact O-N 3.48Å; E67-L71 VanDerWaalsContact O-N 3.08Å
68C84.5Confident79.3Confident4 Ų468.2 Ų68.23%0.02737%0.368CS..Hα-helixtrans-62.4-42.3174-56.20000111.4F52 F55 Y56 N62 G65 V66 R70 L71 L72F52-C68 HydrophobicContact CZ-CB 4.27Å; F52-C68 WeakPolarHBondContact CZ-O 3.4Å; F55-C68 HydrophobicContact CD1-CB 4.17Å; F55-C68 HydrophobicContact CE1-CB 3.81Å; F55-C68 VanDerWaalsContact CE1-SG 3.55Å; Y56-C68 HydrophobicContact CD2-CB 3.79Å; Y56-C68 HydrophobicContact CE2-CB 4.35Å; N62-C68 PolarHBondContact ND2-SG 3.36Å; G65-C68 WeakPolarHBondContact O-CB 3.47Å; G65-C68 PolarHBondContact O-N 3.43Å; V66-C68 VanDerWaalsContact C-N 3.29Å; V66-C68 PolarHBondContact O-N 3.25Å; C68-R70 VanDerWaalsContact C-N 3.35Å; C68-L71 PolarHBondContact O-N 3.41Å; C68-L72 PolarHBondContact O-N 3Å
69L86.3Confident81Confident97 Ų9761.9 Ų61.951%0.50834%0.338SS..Hα-helixtrans-66.8-34.6177.3-68.6176.6000112.7G65 V66 E67 L72 N73G65-L69 PolarHBondContact O-N 3.08Å; V66-L69 PolarHBondContact O-N 3.45Å; E67-L69 VanDerWaalsContact C-N 3.33Å; E67-L69 PolarHBondContact O-N 2.68Å; L69-L72 PolarHBondContact O-N 3.47Å; L69-N73 WeakPolarHBondContact O-CB 3.43Å; L69-N73 PolarHBondContact O-N 3.48Å
70R89.3Confident82.8Confident143 Ų14359.1 Ų59.154%0.5432%0.324SS..Hα-helixtrans-63.1-45.4173.9-73.7-176.3-177.3143.16.7111.5V66 E67 C68 N73 E74V66-R70 PolarHBondContact O-N 3.07Å; E67-R70 PolarHBondContact O-N 2.97Å; E67-R70 IonicContact OE1-CZ 3Å; E67-R70 IonicContact OE1-NH1 2.84Å; E67-R70 PolarHBondContact OE1-NH1 2.87Å; E67-R70 IonicContact OE2-CZ 2.68Å; E67-R70 IonicContact OE2-NH1 2.76Å; E67-R70 PolarHBondContact OE2-NH1 2.84Å; C68-R70 VanDerWaalsContact C-N 3.35Å; R70-N73 WeakPolarHBondContact O-CB 3.48Å; R70-N73 PolarHBondContact O-N 3.43Å; R70-N73 VanDerWaalsContact O-N 3.16Å; R70-E74 PolarHBondContact O-N 3.22Å
71L90.6Very high84.9Confident18 Ų1858.2 Ų58.29%0.09432%0.315CS..Hα-helixtrans-65.7-39.3178.5-171.157.4000111.9F55 E67 C68 N73 E74 I75 I140 N146 F148F55-L71 HydrophobicContact CE1-CD2 3.95Å; F55-L71 HydrophobicContact CZ-CD2 3.82Å; E67-L71 PolarHBondContact O-N 3.48Å; E67-L71 VanDerWaalsContact O-N 3.08Å; C68-L71 PolarHBondContact O-N 3.41Å; L71-N73 VanDerWaalsContact C-N 3.33Å; L71-N73 PolarHBondContact O-N 3.01Å; L71-E74 WeakPolarHBondContact O-CB 3.49Å; L71-E74 PolarHBondContact O-N 3.29Å; L71-I75 HydrophobicContact CG-CD1 4.46Å; L71-I75 WeakPolarHBondContact O-CG1 3.33Å; L71-I75 PolarHBondContact O-N 3.06Å; L71-I140 HydrophobicContact CD1-CG2 4.26Å; L71-N146 WeakPolarHBondContact CD2-ND2 3.38Å; L71-F148 HydrophobicContact CD2-CE2 3.51Å; L71-F148 HydrophobicContact CD2-CZ 3.72Å; L71-F148 HydrophobicContact CG-CE2 4.02Å; L71-F148 HydrophobicContact CG-CZ 4.46Å
72L92.7Very high86.7Confident23 Ų2354.6 Ų54.612%0.1228%0.276CS..Hα-helixtrans-61-44.1171.2-177.459.7000111.5F52 C68 L69 E74 I75 I76F52-L72 HydrophobicContact CE1-CB 4.3Å; F52-L72 HydrophobicContact CE1-CD2 4Å; F52-L72 HydrophobicContact CE2-CB 3.81Å; F52-L72 HydrophobicContact CE2-CD1 4.33Å; F52-L72 HydrophobicContact CZ-CB 3.57Å; F52-L72 HydrophobicContact CZ-CD1 4.4Å; F52-L72 HydrophobicContact CZ-CD2 4.12Å; F52-L72 HydrophobicContact CZ-CG 4.24Å; C68-L72 PolarHBondContact O-N 3Å; L69-L72 PolarHBondContact O-N 3.47Å; L72-E74 VanDerWaalsContact C-N 3.3Å; L72-E74 PolarHBondContact O-N 2.65Å; L72-I75 PolarHBondContact O-N 3.11Å; L72-I76 HydrophobicContact CD1-CG1 4.2Å; L72-I76 HydrophobicContact CG-CG1 4.39Å; L72-I76 WeakPolarHBondContact O-CG1 2.97Å; L72-I76 PolarHBondContact O-N 2.81Å
73N93.6Very high88.5Confident112 Ų11254.2 Ų54.260%0.59927%0.274SS*.Hα-helixtrans-62-39.2177.8-179.486.3000111.9L69 R70 L71 I76 A77L69-N73 WeakPolarHBondContact O-CB 3.43Å; L69-N73 PolarHBondContact O-N 3.48Å; R70-N73 WeakPolarHBondContact O-CB 3.48Å; R70-N73 PolarHBondContact O-N 3.43Å; R70-N73 VanDerWaalsContact O-N 3.16Å; L71-N73 VanDerWaalsContact C-N 3.33Å; L71-N73 PolarHBondContact O-N 3.01Å; N73-I76 PolarHBondContact O-N 2.94Å; N73-A77 VanDerWaalsContact O-CB 3.25Å; N73-A77 WeakPolarHBondContact O-CB 3.41Å; N73-A77 PolarHBondContact O-N 3.38Å
74E94.5Very high89.8Confident83 Ų8356.6 Ų56.639%0.38828%0.282SS..Hα-helixtrans-60.3-50.7174.1-174.4174.1-177.900111.2R70 L71 L72 I76 A77 D78R70-E74 PolarHBondContact O-N 3.22Å; L71-E74 WeakPolarHBondContact O-CB 3.49Å; L71-E74 PolarHBondContact O-N 3.29Å; L72-E74 VanDerWaalsContact C-N 3.3Å; L72-E74 PolarHBondContact O-N 2.65Å; E74-I76 VanDerWaalsContact C-N 3.32Å; E74-I76 PolarHBondContact O-N 3.46Å; E74-A77 WeakPolarHBondContact O-CB 3.26Å; E74-A77 PolarHBondContact O-N 3.1Å; E74-A77 VanDerWaalsContact O-N 3.08Å; E74-D78 PolarHBondContact O-N 3.28Å
75I95.5Very high91.1Very high0 Ų056.5 Ų56.50%028%0.279CS..Hα-helixtrans-57.3-44.5176.5-63.5161.9000112.1I49 L71 L72 A77 D78 F79 L137 I140 F148I49-I75 HydrophobicContact CD1-CD1 4.06Å; I49-I75 HydrophobicContact CD1-CG2 3.72Å; L71-I75 HydrophobicContact CG-CD1 4.46Å; L71-I75 WeakPolarHBondContact O-CG1 3.33Å; L71-I75 PolarHBondContact O-N 3.06Å; L72-I75 PolarHBondContact O-N 3.11Å; I75-A77 VanDerWaalsContact C-N 3.34Å; I75-D78 PolarHBondContact O-N 3.39Å; I75-F79 HydrophobicContact CG2-CD2 4.03Å; I75-F79 HydrophobicContact CG2-CE1 4.33Å; I75-F79 HydrophobicContact CG2-CE2 3.48Å; I75-F79 VanDerWaalsContact CG2-CE2 3.48Å; I75-F79 HydrophobicContact CG2-CZ 3.65Å; I75-F79 WeakPolarHBondContact O-CD2 3.38Å; I75-F79 VanDerWaalsContact O-CG 3.27Å; I75-F79 WeakPolarHBondContact O-CG 3.46Å; I75-F79 PolarHBondContact O-N 3.09Å; I75-F79 VanDerWaalsContact O-N 3.1Å; I75-L137 HydrophobicContact CD1-CD1 4.18Å; I75-L137 HydrophobicContact CG1-CD1 4.25Å; I75-L137 HydrophobicContact CG2-CD1 4.01Å; I75-I140 HydrophobicContact CB-CD1 4.13Å; I75-I140 HydrophobicContact CG1-CD1 3.78Å; I75-I140 HydrophobicContact CG1-CG2 3.91Å; I75-I140 HydrophobicContact CG2-CD1 4.36Å; I75-F148 HydrophobicContact CD1-CD2 3.93Å; I75-F148 HydrophobicContact CD1-CE2 4.1Å
76I96.4Very high91.8Very high18 Ų1862.8 Ų62.89%0.09231%0.312CS..Hα-helixtrans-67.9-36.4178.9-62.1-66000111.3L72 N73 E74 F79 D80 K93 T96 Y101L72-I76 HydrophobicContact CD1-CG1 4.2Å; L72-I76 HydrophobicContact CG-CG1 4.39Å; L72-I76 WeakPolarHBondContact O-CG1 2.97Å; L72-I76 PolarHBondContact O-N 2.81Å; N73-I76 PolarHBondContact O-N 2.94Å; E74-I76 VanDerWaalsContact C-N 3.32Å; E74-I76 PolarHBondContact O-N 3.46Å; I76-F79 PolarHBondContact O-N 2.88Å; I76-D80 PolarHBondContact O-N 3.04Å; I76-K93 VanDerWaalsContact CG2-NZ 3.35Å; I76-T96 HydrophobicContact CD1-CG2 3.78Å; I76-T96 HydrophobicContact CG1-CG2 4.21Å; I76-Y101 HydrophobicContact CD1-CD2 3.8Å; I76-Y101 HydrophobicContact CG2-CD2 4.37Å; I76-Y101 HydrophobicContact CG2-CE2 4.27Å
77A96.1Very high92Very high40 Ų4066 Ų6633%0.33132%0.321SS..Hα-helixtrans-66.5-42.1177.500000111.6N73 E74 I75 F79 D80 E81N73-A77 VanDerWaalsContact O-CB 3.25Å; N73-A77 WeakPolarHBondContact O-CB 3.41Å; N73-A77 PolarHBondContact O-N 3.38Å; E74-A77 WeakPolarHBondContact O-CB 3.26Å; E74-A77 PolarHBondContact O-N 3.1Å; E74-A77 VanDerWaalsContact O-N 3.08Å; I75-A77 VanDerWaalsContact C-N 3.34Å; A77-F79 VanDerWaalsContact C-N 3.34Å; A77-F79 PolarHBondContact O-N 2.81Å; A77-D80 CarbonylContact O-C 3.59Å; A77-D80 WeakPolarHBondContact O-CA 3.47Å; A77-D80 WeakPolarHBondContact O-CB 3.28Å; A77-D80 PolarHBondContact O-N 2.78Å; A77-D80 VanDerWaalsContact O-N 3.09Å; A77-E81 PolarHBondContact O-N 2.93Å
78D96.9Very high92.5Very high48 Ų4862.5 Ų62.526%0.25731%0.305SS..Hα-helixtrans-68.2-34.9178.3-69.75000111.6E74 I75 D80 E81 L82 V136 I140E74-D78 PolarHBondContact O-N 3.28Å; I75-D78 PolarHBondContact O-N 3.39Å; D78-D80 VanDerWaalsContact C-N 3.34Å; D78-E81 PolarHBondContact O-N 3.15Å; D78-L82 WeakPolarHBondContact O-CB 3.4Å; D78-L82 PolarHBondContact O-N 3.18Å; D78-V136 HydrophobicContact CB-CG1 3.69Å; D78-I140 HydrophobicContact CB-CD1 3.97Å; D78-I140 VanDerWaalsContact OD2-CD1 3.27Å; D78-I140 WeakPolarHBondContact OD2-CD1 3.47Å; D78-I140 WeakPolarHBondContact OD2-CG1 3.44Å
79F97.6Very high92.6Very high2 Ų268.7 Ų68.71%0.00933%0.331CS..Hα-helixtrans-66.2-35.3169.6-66.6-19.5000112.9I75 I76 A77 M83 Y101 M133 V136 L137 L150I75-F79 HydrophobicContact CG2-CD2 4.03Å; I75-F79 HydrophobicContact CG2-CE1 4.33Å; I75-F79 HydrophobicContact CG2-CE2 3.48Å; I75-F79 VanDerWaalsContact CG2-CE2 3.48Å; I75-F79 HydrophobicContact CG2-CZ 3.65Å; I75-F79 WeakPolarHBondContact O-CD2 3.38Å; I75-F79 VanDerWaalsContact O-CG 3.27Å; I75-F79 WeakPolarHBondContact O-CG 3.46Å; I75-F79 PolarHBondContact O-N 3.09Å; I75-F79 VanDerWaalsContact O-N 3.1Å; I76-F79 PolarHBondContact O-N 2.88Å; A77-F79 VanDerWaalsContact C-N 3.34Å; A77-F79 PolarHBondContact O-N 2.81Å; F79-M83 PolarHBondContact O-N 2.88Å; F79-M83 VanDerWaalsContact O-N 3.16Å; F79-Y101 HydrophobicContact CB-CD2 4.12Å; F79-Y101 HydrophobicContact CB-CE2 3.85Å; F79-Y101 HydrophobicContact CD2-CD2 4.03Å; F79-Y101 HydrophobicContact CD2-CG 4.42Å; F79-M133 HydrophobicContact CB-CE 4.24Å; F79-M133 HydrophobicContact CD1-CB 4.42Å; F79-M133 HydrophobicContact CD1-CE 3.88Å; F79-M133 HydrophobicContact CD1-CG 4.14Å; F79-M133 HydrophobicContact CD2-CE 3.33Å; F79-M133 HydrophobicContact CE1-CB 4.05Å; F79-M133 HydrophobicContact CE1-CE 3.98Å; F79-M133 HydrophobicContact CE1-CG 4.26Å; F79-M133 WeakPolarHBondContact CE1-O 3.47Å; F79-M133 HydrophobicContact CE2-CE 3.44Å; F79-M133 VanDerWaalsContact CE2-CE 3.44Å; F79-M133 HydrophobicContact CG-CE 3.56Å; F79-M133 HydrophobicContact CZ-CB 4.5Å; F79-M133 HydrophobicContact CZ-CE 3.77Å; F79-V136 HydrophobicContact CD1-CB 4.3Å; F79-V136 HydrophobicContact CD1-CG1 3.85Å; F79-V136 HydrophobicContact CE1-CB 4.15Å; F79-V136 HydrophobicContact CE1-CG1 3.91Å; F79-L137 HydrophobicContact CZ-CB 4.42Å; F79-L150 HydrophobicContact CE2-CD1 4.45Å; F79-L150 HydrophobicContact CZ-CD1 4.26Å
80D95.9Very high92.7Very high50 Ų5066.2 Ų66.227%0.26732%0.319SS..Hα-helixtrans-67.5-43.3174.2-70.4-16.5000110.8I76 A77 D78 L82 M83 E84 K93 Y101I76-D80 PolarHBondContact O-N 3.04Å; A77-D80 CarbonylContact O-C 3.59Å; A77-D80 WeakPolarHBondContact O-CA 3.47Å; A77-D80 WeakPolarHBondContact O-CB 3.28Å; A77-D80 PolarHBondContact O-N 2.78Å; A77-D80 VanDerWaalsContact O-N 3.09Å; D78-D80 VanDerWaalsContact C-N 3.34Å; D80-L82 VanDerWaalsContact C-N 3.32Å; D80-L82 PolarHBondContact O-N 2.88Å; D80-M83 WeakPolarHBondContact O-CB 3.43Å; D80-M83 PolarHBondContact O-N 2.97Å; D80-E84 PolarHBondContact O-N 3.47Å; D80-K93 WeakPolarHBondContact OD1-CD 3.5Å; D80-K93 WeakPolarHBondContact OD1-CE 3.31Å; D80-K93 IonicContact OD1-NZ 3.78Å; D80-K93 PolarHBondContact OD1-NZ 3.27Å; D80-K93 IonicContact OD2-NZ 3.04Å; D80-K93 PolarHBondContact OD2-NZ 2.77Å; D80-Y101 WeakPolarHBondContact OD1-CE2 3.32Å; D80-Y101 PolarHBondContact OD1-OH 3.03Å
81E96.1Very high92.9Very high133 Ų13359.9 Ų59.962%0.62130%0.295SS*.Hα-helixtrans-60.7-40.5174.5-176.3174178.800111.7A77 D78 M83 E84A77-E81 PolarHBondContact O-N 2.93Å; D78-E81 PolarHBondContact O-N 3.15Å; E81-M83 VanDerWaalsContact C-N 3.28Å; E81-M83 PolarHBondContact O-N 2.75Å; E81-E84 PolarHBondContact O-N 3.31Å
82L96.1Very high93Very high5 Ų560.7 Ų60.73%0.02630%0.299CS..Hα-helixtrans-57.4-42172.8177.162.5000111.6D78 D80 E84 K85 Y88 F129 E132 M133 V136D78-L82 WeakPolarHBondContact O-CB 3.4Å; D78-L82 PolarHBondContact O-N 3.18Å; D80-L82 VanDerWaalsContact C-N 3.32Å; D80-L82 PolarHBondContact O-N 2.88Å; L82-E84 VanDerWaalsContact C-N 3.29Å; L82-E84 PolarHBondContact O-N 2.95Å; L82-K85 HydrophobicContact CD1-CD 3.93Å; L82-K85 WeakPolarHBondContact O-CG 3.47Å; L82-K85 PolarHBondContact O-N 3.37Å; L82-Y88 HydrophobicContact CD1-CD2 4.34Å; L82-Y88 HydrophobicContact CD1-CE2 4.02Å; L82-Y88 WeakPolarHBondContact O-CD2 3.43Å; L82-F129 HydrophobicContact CB-CE2 4.08Å; L82-F129 HydrophobicContact CD2-CD2 3.8Å; L82-F129 HydrophobicContact CD2-CE2 3.63Å; L82-F129 HydrophobicContact CD2-CZ 4.42Å; L82-F129 HydrophobicContact CG-CD2 3.81Å; L82-F129 HydrophobicContact CG-CE2 3.56Å; L82-E132 HydrophobicContact CD1-CB 4.01Å; L82-E132 WeakPolarHBondContact CD1-OE2 3.46Å; L82-E132 HydrophobicContact CD2-CB 3.91Å; L82-M133 HydrophobicContact CD2-CG 3.84Å; L82-V136 HydrophobicContact CD2-CG2 4.07Å
83M94.1Very high93.1Very high22 Ų2262.6 Ų62.611%0.10831%0.306CS..Hα-helixtrans-68.4-26.4-179.6-171.8177.9-65.300113F79 D80 E81 K85 I91 K93 Y101 A103 F129F79-M83 PolarHBondContact O-N 2.88Å; F79-M83 VanDerWaalsContact O-N 3.16Å; D80-M83 WeakPolarHBondContact O-CB 3.43Å; D80-M83 PolarHBondContact O-N 2.97Å; E81-M83 VanDerWaalsContact C-N 3.28Å; E81-M83 PolarHBondContact O-N 2.75Å; M83-K85 PolarHBondContact O-N 2.81Å; M83-I91 HydrophobicContact CE-CB 4.42Å; M83-I91 HydrophobicContact CE-CG2 3.64Å; M83-I91 HydrophobicContact CG-CB 4.36Å; M83-I91 HydrophobicContact SD-CB 4.46Å; M83-I91 HydrophobicContact SD-CG2 4.2Å; M83-K93 HydrophobicContact CE-CB 4.05Å; M83-K93 HydrophobicContact SD-CB 4.02Å; M83-Y101 HydrophobicContact CE-CE1 3.68Å; M83-Y101 WeakPolarHBondContact CE-OH 3.22Å; M83-A103 HydrophobicContact CE-CB 4.16Å; M83-F129 HydrophobicContact CB-CE2 3.92Å; M83-F129 HydrophobicContact CB-CZ 4.17Å; M83-F129 HydrophobicContact CE-CE1 4.08Å; M83-F129 HydrophobicContact CE-CE2 4.49Å; M83-F129 HydrophobicContact CE-CZ 3.77Å
84E91.2Very high93.2Very high150 Ų15058.1 Ų58.170%0.70128%0.282SS*.Hα-helixtrans-70.1-16.7179.8-70.3-174.1176.100113.8D80 E81 L82D80-E84 PolarHBondContact O-N 3.47Å; E81-E84 PolarHBondContact O-N 3.31Å; L82-E84 VanDerWaalsContact C-N 3.29Å; L82-E84 PolarHBondContact O-N 2.95Å
85K92.3Very high93.2Very high103 Ų10357.8 Ų57.845%0.44828%0.279SS..SBendtrans-56.5143176.4-62.5-179.1-172.6173.70111.1L82 M83 F87 Y88 K89 E132L82-K85 HydrophobicContact CD1-CD 3.93Å; L82-K85 WeakPolarHBondContact O-CG 3.47Å; L82-K85 PolarHBondContact O-N 3.37Å; M83-K85 PolarHBondContact O-N 2.81Å; K85-F87 PolarHBondContact O-N 2.9Å; K85-Y88 HydrophobicContact CB-CD2 4Å; K85-Y88 HydrophobicContact CD-CD2 4.28Å; K85-Y88 HydrophobicContact CD-CE2 4.24Å; K85-Y88 PolarHBondContact O-N 2.87Å; K85-K89 PolarHBondContact O-N 2.91Å; K85-E132 IonicContact NZ-OE2 2.61Å; K85-E132 PolarHBondContact NZ-OE2 3.08Å
86D85.9Confident93.2Very high131 Ų13160.6 Ų60.670%0.70130%0.296SS*.THydrogen-bonded Turntrans-52.5-33.2-175.3-81.8-35.7000114.8Y88 K89D86-Y88 VanDerWaalsContact C-N 3.35Å; D86-K89 WeakPolarHBondContact OD1-CE 3.48Å; D86-K89 IonicContact OD1-NZ 2.77Å; D86-K89 PolarHBondContact OD1-NZ 3.44Å
87F86Confident93Very high126 Ų12663.6 Ų63.655%0.55331%0.312SS*.THydrogen-bonded Turntrans-73.1-25.8-179.7-162.5-97.6000113.2K85 T125K85-F87 PolarHBondContact O-N 2.9Å; F87-T125 HydrophobicContact CD1-CG2 4.39Å; F87-T125 VanDerWaalsContact O-CG2 3.27Å; F87-T125 WeakPolarHBondContact O-CG2 3.38Å
88Y91.6Very high92.8Very high5 Ų564.5 Ų64.52%0.0233%0.325CS..THydrogen-bonded Turntrans-101.83.7-174.6-60.9-51.4000114.3L82 K85 D86 D90 I91 T125 D128 F129 E132L82-Y88 HydrophobicContact CD1-CD2 4.34Å; L82-Y88 HydrophobicContact CD1-CE2 4.02Å; L82-Y88 WeakPolarHBondContact O-CD2 3.43Å; K85-Y88 HydrophobicContact CB-CD2 4Å; K85-Y88 HydrophobicContact CD-CD2 4.28Å; K85-Y88 HydrophobicContact CD-CE2 4.24Å; K85-Y88 PolarHBondContact O-N 2.87Å; D86-Y88 VanDerWaalsContact C-N 3.35Å; Y88-D90 PolarHBondContact O-N 3.27Å; Y88-I91 HydrophobicContact CD1-CD1 3.87Å; Y88-I91 HydrophobicContact CG-CD1 4.4Å; Y88-I91 WeakPolarHBondContact O-CB 3.36Å; Y88-I91 PolarHBondContact O-N 3.08Å; Y88-T125 HydrophobicContact CD1-CG2 3.69Å; Y88-T125 HydrophobicContact CE1-CG2 4.26Å; Y88-T125 WeakPolarHBondContact CE1-O 3.42Å; Y88-D128 HydrophobicContact CE1-CB 4.04Å; Y88-F129 HydrophobicContact CD1-CB 3.81Å; Y88-F129 HydrophobicContact CD1-CD2 4.2Å; Y88-F129 HydrophobicContact CD1-CG 4.43Å; Y88-F129 HydrophobicContact CD2-CD2 4.11Å; Y88-F129 HydrophobicContact CE1-CB 3.75Å; Y88-F129 HydrophobicContact CE2-CD2 4.47Å; Y88-F129 HydrophobicContact CG-CB 4.46Å; Y88-F129 AromaticContact CG-CD2 3.99Å; Y88-F129 HydrophobicContact CG-CD2 3.99Å; Y88-E132 PolarHBondContact OH-OE1 3.48Å
89K85.8Confident92.6Very high133 Ų13362.8 Ų62.858%0.57832%0.317SS*.THydrogen-bonded Turntrans-57.1-16.6179.8-73.2-177.2165.8175.10116.3K85 D86K85-K89 PolarHBondContact O-N 2.91Å; D86-K89 WeakPolarHBondContact OD1-CE 3.48Å; D86-K89 IonicContact OD1-NZ 2.77Å; D86-K89 PolarHBondContact OD1-NZ 3.44Å
90D88.6Confident92.6Very high45 Ų4563.9 Ų63.924%0.24132%0.323CS..THydrogen-bonded Turntrans-85.9-12.8176.4-68.8-8.6000112.9Y88 V105 K117 H122Y88-D90 PolarHBondContact O-N 3.27Å; D90-V105 HydrophobicContact CB-CG2 4.15Å; D90-K117 IonicContact OD1-NZ 2.59Å; D90-K117 VanDerWaalsContact OD2-CD 3.24Å; D90-K117 WeakPolarHBondContact OD2-CD 3.38Å; D90-K117 WeakPolarHBondContact OD2-CE 3.47Å; D90-K117 IonicContact OD2-NZ 2.83Å; D90-K117 PolarHBondContact OD2-NZ 2.99Å; D90-H122 IonicContact OD2-CE1 2.65Å; D90-H122 IonicContact OD2-ND1 2.64Å
91I93.4Very high92.7Very high10 Ų1061.5 Ų61.55%0.05131%0.311CS..EExtended strand (participates in β ladder)trans-83.4136175.7-54.4179.4000108M83 Y88 A103 V105 T125 L126 F129M83-I91 HydrophobicContact CE-CB 4.42Å; M83-I91 HydrophobicContact CE-CG2 3.64Å; M83-I91 HydrophobicContact CG-CB 4.36Å; M83-I91 HydrophobicContact SD-CB 4.46Å; M83-I91 HydrophobicContact SD-CG2 4.2Å; Y88-I91 HydrophobicContact CD1-CD1 3.87Å; Y88-I91 HydrophobicContact CG-CD1 4.4Å; Y88-I91 WeakPolarHBondContact O-CB 3.36Å; Y88-I91 PolarHBondContact O-N 3.08Å; I91-A103 HydrophobicContact CG2-CB 3.86Å; I91-V105 HydrophobicContact CG1-CB 4.47Å; I91-V105 HydrophobicContact CG1-CG2 4.32Å; I91-T125 HydrophobicContact CD1-CG2 4.07Å; I91-T125 HydrophobicContact CG1-CG2 4.06Å; I91-L126 HydrophobicContact CD1-CD1 4.21Å; I91-L126 HydrophobicContact CG2-CD1 4.31Å; I91-F129 HydrophobicContact CD1-CB 3.39Å; I91-F129 HydrophobicContact CD1-CD1 3.89Å; I91-F129 HydrophobicContact CD1-CD2 4.11Å; I91-F129 HydrophobicContact CD1-CG 3.54Å
92E93.1Very high92.8Very high36 Ų3655.3 Ų55.317%0.16828%0.282CS..EExtended strand (participates in β ladder)trans-120120.2178.4-174155.5-119.700109P17 H19 I94 A103 A104P17-E92 WeakPolarHBondContact CA-OE1 3.46Å; P17-E92 WeakPolarHBondContact CB-OE1 3.25Å; P17-E92 WeakPolarHBondContact CG-OE1 3.37Å; H19-E92 IonicContact CE1-OE2 3.78Å; E92-I94 PolarHBondContact O-N 2.97Å; E92-A103 CarbonylContact O-C 3.57Å; E92-A103 WeakPolarHBondContact O-CA 3.48Å; E92-A104 PolarHBondContact N-O 3.21Å; E92-A104 PolarHBondContact O-N 3.02Å
93K95.1Very high92.9Very high63 Ų6355 Ų5527%0.27428%0.281SS..EExtended strand (participates in β ladder)trans-65.4125.4167.6-175.8-174.1-167.9164.40108.8I76 D80 M83 T96 Y101I76-K93 VanDerWaalsContact CG2-NZ 3.35Å; D80-K93 WeakPolarHBondContact OD1-CD 3.5Å; D80-K93 WeakPolarHBondContact OD1-CE 3.31Å; D80-K93 IonicContact OD1-NZ 3.78Å; D80-K93 PolarHBondContact OD1-NZ 3.27Å; D80-K93 IonicContact OD2-NZ 3.04Å; D80-K93 PolarHBondContact OD2-NZ 2.77Å; M83-K93 HydrophobicContact CE-CB 4.05Å; M83-K93 HydrophobicContact SD-CB 4.02Å; K93-T96 WeakPolarHBondContact CE-OG1 3.29Å; K93-Y101 HydrophobicContact CB-CE1 4.48Å; K93-Y101 HydrophobicContact CD-CE2 4.05Å; K93-Y101 WeakPolarHBondContact CD-OH 3.37Å; K93-Y101 HydrophobicContact CG-CE1 4.11Å; K93-Y101 HydrophobicContact CG-CE2 4.36Å
94I95.1Very high93Very high18 Ų1854 Ų549%0.09228%0.275CS..EExtended strand (participates in β ladder)trans-87.8-55176.5-54.3-58000109.6E92 M102 A104 L107 Y171 D172 I173E92-I94 PolarHBondContact O-N 2.97Å; I94-M102 HydrophobicContact CB-CE 4.19Å; I94-M102 HydrophobicContact CB-CG 4.05Å; I94-M102 HydrophobicContact CB-SD 4.11Å; I94-M102 HydrophobicContact CG1-CE 4.19Å; I94-M102 HydrophobicContact CG1-CG 4.35Å; I94-M102 HydrophobicContact CG2-CE 3.99Å; I94-M102 HydrophobicContact CG2-SD 4.05Å; I94-M102 PolarHBondContact N-O 3.02Å; I94-A104 HydrophobicContact CD1-CB 4.11Å; I94-A104 HydrophobicContact CG1-CB 4.14Å; I94-L107 HydrophobicContact CD1-CD1 3.74Å; I94-Y171 HydrophobicContact CD1-CE1 3.93Å; I94-D172 WeakPolarHBondContact CG2-OD1 3.22Å; I94-I173 HydrophobicContact CD1-CD1 4.29Å; I94-I173 HydrophobicContact CD1-CG1 4.37Å; I94-I173 HydrophobicContact CD1-CG2 4.21Å; I94-I173 HydrophobicContact CG1-CD1 4.14Å; I94-I173 HydrophobicContact CG1-CG1 4.27Å; I94-I173 HydrophobicContact CG2-CG1 4.4Å
95K94.5Very high93.2Very high75 Ų7546.9 Ų46.933%0.32624%0.242SC..EExtended strand (participates in β ladder)trans-170.4166.8-179.954.7-173.7149.7-1740111.5I97 M102 D172K95-I97 HydrophobicContact CD-CD1 4.02Å; K95-I97 HydrophobicContact CD-CG1 3.98Å; K95-I97 HydrophobicContact CG-CD1 4.14Å; K95-I97 HydrophobicContact CG-CG1 3.93Å; K95-M102 HydrophobicContact CG-CB 4.37Å; K95-M102 HydrophobicContact CG-SD 4.09Å; K95-M102 PolarHBondContact N-O 3.11Å; K95-M102 WeakPolarHBondContact O-CB 3.48Å; K95-M102 PolarHBondContact O-N 3.42Å; K95-D172 WeakPolarHBondContact CE-OD1 3.35Å; K95-D172 IonicContact NZ-OD1 3.69Å; K95-D172 PolarHBondContact NZ-OD1 2.68Å; K95-D172 IonicContact NZ-OD2 3.5Å; K95-D172 PolarHBondContact NZ-OD2 2.76Å
96T94.4Very high93.1Very high59 Ų5942.7 Ų42.736%0.36223%0.228SC..EExtended strand (participates in β ladder)trans-103.5134.5165.3-55.20000109I76 K93 G98 T100I76-T96 HydrophobicContact CD1-CG2 3.78Å; I76-T96 HydrophobicContact CG1-CG2 4.21Å; K93-T96 WeakPolarHBondContact CE-OG1 3.29Å; T96-G98 WeakPolarHBondContact CG2-O 3.49Å; T96-T100 CarbonylContact C-O 3.59Å; T96-T100 WeakPolarHBondContact CA-O 3.47Å
97I93.4Very high93.1Very high82 Ų8236.5 Ų36.542%0.42120%0.195SC..EExtended strand (participates in β ladder)trans-127.396.7-179.7-51.1170000108.1F46 K95 S99 T100 M102F46-I97 HydrophobicContact CE1-CD1 4.46Å; K95-I97 HydrophobicContact CD-CD1 4.02Å; K95-I97 HydrophobicContact CD-CG1 3.98Å; K95-I97 HydrophobicContact CG-CD1 4.14Å; K95-I97 HydrophobicContact CG-CG1 3.93Å; I97-S99 PolarHBondContact O-N 3.34Å; I97-T100 PolarHBondContact N-O 3.45Å; I97-T100 VanDerWaalsContact O-CB 3.25Å; I97-T100 WeakPolarHBondContact O-CB 3.4Å; I97-T100 PolarHBondContact O-N 2.89Å; I97-T100 PolarHBondContact O-OG1 3.44Å; I97-M102 HydrophobicContact CD1-SD 4.46Å
98G91.5Very high92.5Very high58 Ų5833.5 Ų33.560%0.59819%0.193SC*.THydrogen-bonded Turntrans60-125.9-170.500000110.5T96 T100T96-G98 WeakPolarHBondContact CG2-O 3.49Å; G98-T100 VanDerWaalsContact C-N 3.26Å; G98-T100 PolarHBondContact O-N 3.46Å
99S93.3Very high90.9Very high12 Ų1235.3 Ų35.38%0.08421%0.206CC..THydrogen-bonded Turntrans-86.314.2173.265.20000114.3I49 I97I49-S99 PolarHBondContact N-O 2.87Å; I49-S99 PolarHBondContact O-OG 3.24Å; I97-S99 PolarHBondContact O-N 3.34Å
100T97.1Very high89.3Confident25 Ų2533.7 Ų33.715%0.15321%0.207CC..EExtended strand (participates in β ladder)trans-105.1123.4-178.7-48.40000112F46 A47 T96 I97 G98F46-T100 HydrophobicContact CB-CG2 4.24Å; F46-T100 HydrophobicContact CD1-CG2 3.84Å; A47-T100 CarbonylContact O-C 3.54Å; A47-T100 WeakPolarHBondContact O-CA 3.17Å; T96-T100 CarbonylContact C-O 3.59Å; T96-T100 WeakPolarHBondContact CA-O 3.47Å; I97-T100 PolarHBondContact N-O 3.45Å; I97-T100 VanDerWaalsContact O-CB 3.25Å; I97-T100 WeakPolarHBondContact O-CB 3.4Å; I97-T100 PolarHBondContact O-N 2.89Å; I97-T100 PolarHBondContact O-OG1 3.44Å; G98-T100 VanDerWaalsContact C-N 3.26Å; G98-T100 PolarHBondContact O-N 3.46Å
101Y98.1Very high87.2Confident1 Ų137 Ų370%0.00423%0.234CC..EExtended strand (participates in β ladder)trans-90.8119.5172.1-163.4-80.8000110.2A47 I76 F79 D80 M83 K93 A103 F129 M133A47-Y101 PolarHBondContact N-O 3.07Å; A47-Y101 PolarHBondContact O-N 2.6Å; I76-Y101 HydrophobicContact CD1-CD2 3.8Å; I76-Y101 HydrophobicContact CG2-CD2 4.37Å; I76-Y101 HydrophobicContact CG2-CE2 4.27Å; F79-Y101 HydrophobicContact CB-CD2 4.12Å; F79-Y101 HydrophobicContact CB-CE2 3.85Å; F79-Y101 HydrophobicContact CD2-CD2 4.03Å; F79-Y101 HydrophobicContact CD2-CG 4.42Å; D80-Y101 WeakPolarHBondContact OD1-CE2 3.32Å; D80-Y101 PolarHBondContact OD1-OH 3.03Å; M83-Y101 HydrophobicContact CE-CE1 3.68Å; M83-Y101 WeakPolarHBondContact CE-OH 3.22Å; K93-Y101 HydrophobicContact CB-CE1 4.48Å; K93-Y101 HydrophobicContact CD-CE2 4.05Å; K93-Y101 WeakPolarHBondContact CD-OH 3.37Å; K93-Y101 HydrophobicContact CG-CE1 4.11Å; K93-Y101 HydrophobicContact CG-CE2 4.36Å; Y101-A103 HydrophobicContact CD1-CB 4.29Å; Y101-A103 HydrophobicContact CE1-CB 4.03Å; Y101-F129 HydrophobicContact CE1-CE1 4.43Å; Y101-F129 HydrophobicContact CE1-CZ 4.48Å; Y101-M133 HydrophobicContact CD1-CE 4.39Å; Y101-M133 HydrophobicContact CG-CE 4.33Å
102M98Very high84.8Confident2 Ų238.8 Ų38.81%0.0126%0.255CS..EExtended strand (participates in β ladder)trans-108.6122.8179-176.6-176.5170.300110.5V44 F46 I94 K95 I97 I173 V178V44-M102 HydrophobicContact CG1-CE 4.42Å; F46-M102 HydrophobicContact CE1-CB 4.38Å; F46-M102 HydrophobicContact CE1-CG 4.06Å; F46-M102 HydrophobicContact CE1-SD 3.95Å; F46-M102 HydrophobicContact CE2-CE 4.32Å; F46-M102 HydrophobicContact CE2-CG 4.26Å; F46-M102 HydrophobicContact CE2-SD 4.41Å; F46-M102 HydrophobicContact CZ-CE 3.94Å; F46-M102 HydrophobicContact CZ-CG 3.92Å; F46-M102 HydrophobicContact CZ-SD 3.65Å; I94-M102 HydrophobicContact CB-CE 4.19Å; I94-M102 HydrophobicContact CB-CG 4.05Å; I94-M102 HydrophobicContact CB-SD 4.11Å; I94-M102 HydrophobicContact CG1-CE 4.19Å; I94-M102 HydrophobicContact CG1-CG 4.35Å; I94-M102 HydrophobicContact CG2-CE 3.99Å; I94-M102 HydrophobicContact CG2-SD 4.05Å; I94-M102 PolarHBondContact N-O 3.02Å; K95-M102 HydrophobicContact CG-CB 4.37Å; K95-M102 HydrophobicContact CG-SD 4.09Å; K95-M102 PolarHBondContact N-O 3.11Å; K95-M102 WeakPolarHBondContact O-CB 3.48Å; K95-M102 PolarHBondContact O-N 3.42Å; I97-M102 HydrophobicContact CD1-SD 4.46Å; M102-I173 HydrophobicContact CE-CD1 3.82Å; M102-I173 HydrophobicContact CE-CG1 3.56Å; M102-V178 HydrophobicContact CE-CG1 3.64Å
103A97.6Very high82.4Confident0 Ų044.8 Ų44.80%029%0.294CS..EExtended strand (participates in β ladder)trans-135.3156.917900000111.6M45 M83 I91 E92 Y101M45-A103 HydrophobicContact CE-CB 4.22Å; M45-A103 PolarHBondContact N-O 2.89Å; M45-A103 PolarHBondContact O-N 3.36Å; M45-A103 VanDerWaalsContact O-N 3.08Å; M83-A103 HydrophobicContact CE-CB 4.16Å; I91-A103 HydrophobicContact CG2-CB 3.86Å; E92-A103 CarbonylContact O-C 3.57Å; E92-A103 WeakPolarHBondContact O-CA 3.48Å; Y101-A103 HydrophobicContact CD1-CB 4.29Å; Y101-A103 HydrophobicContact CE1-CB 4.03Å
104A97Very high80.4Confident0 Ų050.6 Ų50.60%032%0.319CS..EExtended strand (participates in β ladder)trans-142.6156.2176.300000111.8V42 G43 V44 E92 I94 L107 I173V42-A104 HydrophobicContact CG1-CB 3.97Å; G43-A104 CarbonylContact O-C 3.56Å; G43-A104 WeakPolarHBondContact O-CA 3.5Å; G43-A104 WeakPolarHBondContact O-CB 3.15Å; V44-A104 HydrophobicContact CG2-CB 4.4Å; E92-A104 PolarHBondContact N-O 3.21Å; E92-A104 PolarHBondContact O-N 3.02Å; I94-A104 HydrophobicContact CD1-CB 4.11Å; I94-A104 HydrophobicContact CG1-CB 4.14Å; A104-L107 HydrophobicContact CB-CD1 3.61Å; A104-L107 HydrophobicContact CB-CG 4.34Å; A104-I173 HydrophobicContact CB-CD1 3.83Å
105V94.8Very high78.5Confident0 Ų054.1 Ų54.10%035%0.351CS..EExtended strand (participates in β ladder)trans-131.1144.5-179.669.80000110V42 G43 D90 I91 H122 L126V42-V105 WeakPolarHBondContact CA-O 3.34Å; V42-V105 WeakPolarHBondContact CG1-O 3.42Å; G43-V105 PolarHBondContact N-O 3.41Å; G43-V105 PolarHBondContact O-N 2.88Å; D90-V105 HydrophobicContact CB-CG2 4.15Å; I91-V105 HydrophobicContact CG1-CB 4.47Å; I91-V105 HydrophobicContact CG1-CG2 4.32Å; V105-H122 HydrophobicContact CB-CB 4.43Å; V105-H122 HydrophobicContact CG1-CB 3.92Å; V105-H122 HydrophobicContact CG2-CB 3.69Å; V105-L126 HydrophobicContact CG1-CB 3.97Å; V105-L126 HydrophobicContact CG1-CD2 3.97Å; V105-L126 HydrophobicContact CG1-CG 4.45Å
106G90.4Very high77.1Confident15 Ų1559 Ų5916%0.15537%0.373CS..SBendtrans89.717-177.200000114.3
107L86.7Confident76.1Confident2 Ų261.1 Ų61.11%0.0138%0.377CS..  trans-86.7-9.6173.8-66.9171.6000113.3Y39 V42 I94 A104 P109 V159 A161 I173Y39-L107 HydrophobicContact CD1-CD2 4.41Å; Y39-L107 HydrophobicContact CD2-CD2 3.85Å; Y39-L107 HydrophobicContact CE1-CD2 4.45Å; Y39-L107 WeakPolarHBondContact CE1-O 3.49Å; Y39-L107 HydrophobicContact CE2-CD2 3.91Å; Y39-L107 HydrophobicContact CG-CD2 4.11Å; Y39-L107 VanDerWaalsContact CZ-O 3.25Å; Y39-L107 PolarHBondContact OH-O 3.2Å; V42-L107 HydrophobicContact CG1-CD2 3.98Å; V42-L107 HydrophobicContact CG1-CG 4.05Å; V42-L107 HydrophobicContact CG2-CD2 3.83Å; V42-L107 HydrophobicContact CG2-CG 4.45Å; I94-L107 HydrophobicContact CD1-CD1 3.74Å; A104-L107 HydrophobicContact CB-CD1 3.61Å; A104-L107 HydrophobicContact CB-CG 4.34Å; L107-P109 WeakPolarHBondContact O-CD 3.43Å; L107-V159 HydrophobicContact CD2-CG2 4.1Å; L107-A161 HydrophobicContact CD2-CB 4.49Å; L107-I173 HydrophobicContact CD1-CG2 4.01Å; L107-I173 HydrophobicContact CD2-CG2 4.12Å
108A73.2Confident75.7Confident62 Ų6260.2 Ų60.251%0.51238%0.378SS..SBendtrans-69.9124.817900000111.5T110A108-T110 PolarHBondContact O-N 3.16Å
109P57.5Low75.6Confident44 Ų4459.1 Ų59.129%0.28636%0.358SS..  trans-64.3135.2173.716.1-18.8000110.1H19 L107 S111H19-P109 HydrophobicContact CB-CG 3.52Å; H19-P109 VanDerWaalsContact CG-CD 3.46Å; L107-P109 WeakPolarHBondContact O-CD 3.43Å; P109-S111 PolarHBondContact O-N 2.92Å
110T52.8Low75.5Confident99 Ų9960.1 Ų60.161%0.60737%0.365SS*.SBendtrans-71.945179.5-34.30000111.9A108 G112 K116A108-T110 PolarHBondContact O-N 3.16Å; T110-G112 VanDerWaalsContact C-N 3.35Å; T110-K116 HydrophobicContact CG2-CB 4.5Å; T110-K116 HydrophobicContact CG2-CG 4.5Å
111S44.9Very low75.3Confident115 Ų11561.2 Ų61.280%0.80437%0.373SS*.  trans-92.612.8-174.6-67.20000113.7P109P109-S111 PolarHBondContact O-N 2.92Å
112G43.1Very low75Confident47 Ų4762.5 Ų62.549%0.48538%0.379SS..SBendtrans-133.4149.2174.300000111.1T110 K114T110-G112 VanDerWaalsContact C-N 3.35Å; G112-K114 PolarHBondContact O-N 3.48Å
113T42.2Very low74.9Confident162 Ų16262.5 Ų62.599%0.99438%0.379SS*.SBendtrans-49.412.2178.415.70000117.4
114K53.2Low74.7Confident185 Ų18563.5 Ų63.580%0.80439%0.386SS*.SBendtrans-85.4126.3174.6-63-173.4-179.2-178.90108.8G112 K116G112-K114 PolarHBondContact O-N 3.48Å; K114-K116 PolarHBondContact O-N 3.48Å
115A55.7Low74.6Confident92 Ų9263.8 Ų63.876%0.7639%0.388SS*.  trans-44.9130.5176.200000110.5K117A115-K117 PolarHBondContact O-N 2.88Å
116K63.6Low74.7Confident178 Ų17863.8 Ų63.877%0.77439%0.388SS*.  trans-54.1104.2179.2-169.8175.8-175.5176.10108.6T110 K114 S118T110-K116 HydrophobicContact CG2-CB 4.5Å; T110-K116 HydrophobicContact CG2-CG 4.5Å; K114-K116 PolarHBondContact O-N 3.48Å; K116-S118 PolarHBondContact O-N 3.31Å
117K73.9Confident75Confident103 Ų10363.1 Ų63.145%0.44838%0.381SS..  trans-59.5137.7177.7-74.7-176.5-179.4-179.80108.2D90 A115D90-K117 IonicContact OD1-NZ 2.59Å; D90-K117 VanDerWaalsContact OD2-CD 3.24Å; D90-K117 WeakPolarHBondContact OD2-CD 3.38Å; D90-K117 WeakPolarHBondContact OD2-CE 3.47Å; D90-K117 IonicContact OD2-NZ 2.83Å; D90-K117 PolarHBondContact OD2-NZ 2.99Å; A115-K117 PolarHBondContact O-N 2.88Å
118S86.1Confident75.4Confident63 Ų6363.7 Ų63.744%0.44138%0.384SS..  trans-61.7147.2173.6172.50000109.7K116 S120 S121 H122K116-S118 PolarHBondContact O-N 3.31Å; S118-S120 WeakPolarHBondContact CB-OG 3.35Å; S118-S120 PolarHBondContact O-N 3.33Å; S118-S120 PolarHBondContact OG-N 3.49Å; S118-S120 VanDerWaalsContact OG-N 3.16Å; S118-S120 PolarHBondContact OG-OG 3.11Å; S118-S121 WeakPolarHBondContact O-CA 3.27Å; S118-S121 WeakPolarHBondContact O-CB 3.36Å; S118-S121 PolarHBondContact O-N 3.12Å; S118-H122 PolarHBondContact O-N 3.31Å; S118-H122 VanDerWaalsContact O-N 3.15Å
119I89.5Confident76.6Confident35 Ų3560.8 Ų60.818%0.17936%0.36CS..Hα-helixtrans-54.6-34170.4-175.457.3000111.7Q41 S121 H122 L123 V156 L202Q41-I119 HydrophobicContact CB-CB 4.44Å; Q41-I119 HydrophobicContact CB-CD1 3.95Å; Q41-I119 HydrophobicContact CB-CG1 4.06Å; I119-S121 VanDerWaalsContact C-N 3.32Å; I119-S121 PolarHBondContact O-N 2.97Å; I119-H122 HydrophobicContact CD1-CB 4.5Å; I119-H122 PolarHBondContact O-N 3.25Å; I119-L123 HydrophobicContact CD1-CG 4.34Å; I119-L123 HydrophobicContact CG1-CD1 4.26Å; I119-L123 HydrophobicContact CG1-CG 4.34Å; I119-L123 WeakPolarHBondContact O-CB 3.42Å; I119-L123 WeakPolarHBondContact O-CG 2.98Å; I119-L123 PolarHBondContact O-N 3.1Å; I119-V156 HydrophobicContact CD1-CG2 3.85Å; I119-V156 HydrophobicContact CG1-CG2 3.86Å; I119-L202 HydrophobicContact CG1-CD1 4.45Å; I119-L202 HydrophobicContact CG2-CD1 4.41Å; I119-L202 HydrophobicContact CG2-CD2 4.32Å
120S90.8Very high78.5Confident33 Ų3358.7 Ų58.723%0.23135%0.346CS..Hα-helixtrans-62.5-38.7174.961.20000112S118 L123 S124S118-S120 WeakPolarHBondContact CB-OG 3.35Å; S118-S120 PolarHBondContact O-N 3.33Å; S118-S120 PolarHBondContact OG-N 3.49Å; S118-S120 VanDerWaalsContact OG-N 3.16Å; S118-S120 PolarHBondContact OG-OG 3.11Å; S120-L123 PolarHBondContact O-N 2.76Å; S120-S124 PolarHBondContact O-N 3.18Å; S120-S124 PolarHBondContact O-OG 2.87Å
121S91.7Very high80.5Confident47 Ų4754.7 Ų54.733%0.32932%0.321SS..Hα-helixtrans-66-42.9176.1-177.10000111.3S118 I119 S124 T125S118-S121 WeakPolarHBondContact O-CA 3.27Å; S118-S121 WeakPolarHBondContact O-CB 3.36Å; S118-S121 PolarHBondContact O-N 3.12Å; I119-S121 VanDerWaalsContact C-N 3.32Å; I119-S121 PolarHBondContact O-N 2.97Å; S121-S124 PolarHBondContact O-N 3.22Å; S121-T125 PolarHBondContact O-N 2.64Å; S121-T125 PolarHBondContact O-OG1 2.92Å
122H92.5Very high83Confident29 Ų2952.1 Ų52.113%0.13430%0.296CS..Hα-helixtrans-62.8-43.6176-75.6-51.7000111.8D90 V105 S118 I119 T125 L126D90-H122 IonicContact OD2-CE1 2.65Å; D90-H122 IonicContact OD2-ND1 2.64Å; V105-H122 HydrophobicContact CB-CB 4.43Å; V105-H122 HydrophobicContact CG1-CB 3.92Å; V105-H122 HydrophobicContact CG2-CB 3.69Å; S118-H122 PolarHBondContact O-N 3.31Å; S118-H122 VanDerWaalsContact O-N 3.15Å; I119-H122 HydrophobicContact CD1-CB 4.5Å; I119-H122 PolarHBondContact O-N 3.25Å; H122-T125 PolarHBondContact O-N 3.45Å; H122-L126 PolarHBondContact O-N 3.15Å
123L94.9Very high85.6Confident2 Ų249.9 Ų49.91%0.0127%0.273CS..Hα-helixtrans-66-35.5175.8-73178.1000112.8I119 S120 L126 A127 V156 L202 L203I119-L123 HydrophobicContact CD1-CG 4.34Å; I119-L123 HydrophobicContact CG1-CD1 4.26Å; I119-L123 HydrophobicContact CG1-CG 4.34Å; I119-L123 WeakPolarHBondContact O-CB 3.42Å; I119-L123 WeakPolarHBondContact O-CG 2.98Å; I119-L123 PolarHBondContact O-N 3.1Å; S120-L123 PolarHBondContact O-N 2.76Å; L123-L126 PolarHBondContact O-N 3.48Å; L123-A127 VanDerWaalsContact O-CB 3.28Å; L123-A127 WeakPolarHBondContact O-CB 3.44Å; L123-A127 PolarHBondContact O-N 3.03Å; L123-V156 HydrophobicContact CD1-CB 4.07Å; L123-V156 HydrophobicContact CD1-CG1 4.26Å; L123-V156 HydrophobicContact CD1-CG2 4.06Å; L123-V156 HydrophobicContact CD2-CB 4.08Å; L123-V156 HydrophobicContact CD2-CG2 4.23Å; L123-V156 HydrophobicContact CG-CG2 4.44Å; L123-L202 HydrophobicContact CD1-CB 3.98Å; L123-L202 HydrophobicContact CD1-CD1 3.51Å; L123-L202 HydrophobicContact CD1-CG 4.41Å; L123-L203 HydrophobicContact CB-CD1 4.25Å; L123-L203 HydrophobicContact CB-CD2 3.8Å; L123-L203 HydrophobicContact CB-CG 4.18Å
124S94.9Very high88.2Confident20 Ų2042.7 Ų42.714%0.1423%0.228CC..Hα-helixtrans-61.7-46.5172.7-64.80000111S120 S121 L126 A127 D128 Y208S120-S124 PolarHBondContact O-N 3.18Å; S120-S124 PolarHBondContact O-OG 2.87Å; S121-S124 PolarHBondContact O-N 3.22Å; S124-L126 VanDerWaalsContact C-N 3.3Å; S124-L126 PolarHBondContact O-N 3.44Å; S124-A127 PolarHBondContact O-N 3.4Å; S124-D128 WeakPolarHBondContact O-CB 3.14Å; S124-D128 VanDerWaalsContact O-CG 3.23Å; S124-D128 PolarHBondContact O-N 2.95Å; S124-Y208 VanDerWaalsContact CA-OH 3.3Å; S124-Y208 WeakPolarHBondContact CA-OH 3.26Å; S124-Y208 WeakPolarHBondContact CB-OH 3.35Å; S124-Y208 PolarHBondContact O-OH 3.4Å
125T94.6Very high90.2Very high6 Ų637.8 Ų37.84%0.03721%0.211CC..Hα-helixtrans-58.5-42.5175.6-590000111.7F87 Y88 I91 S121 H122 F129F87-T125 HydrophobicContact CD1-CG2 4.39Å; F87-T125 VanDerWaalsContact O-CG2 3.27Å; F87-T125 WeakPolarHBondContact O-CG2 3.38Å; Y88-T125 HydrophobicContact CD1-CG2 3.69Å; Y88-T125 HydrophobicContact CE1-CG2 4.26Å; Y88-T125 WeakPolarHBondContact CE1-O 3.42Å; I91-T125 HydrophobicContact CD1-CG2 4.07Å; I91-T125 HydrophobicContact CG1-CG2 4.06Å; S121-T125 PolarHBondContact O-N 2.64Å; S121-T125 PolarHBondContact O-OG1 2.92Å; H122-T125 PolarHBondContact O-N 3.45Å; T125-F129 WeakPolarHBondContact O-CB 3.45Å; T125-F129 PolarHBondContact O-N 3.4Å
126L96.1Very high92.2Very high0 Ų034.6 Ų34.60%018%0.182CC..Hα-helixtrans-68-37.5176.8-171.966.2000112.8M45 I91 V105 H122 L123 S124 A130 I154M45-L126 HydrophobicContact CB-CD1 3.89Å; M45-L126 HydrophobicContact CB-CD2 4.11Å; M45-L126 HydrophobicContact CB-CG 4.2Å; M45-L126 HydrophobicContact SD-CD1 4.23Å; I91-L126 HydrophobicContact CD1-CD1 4.21Å; I91-L126 HydrophobicContact CG2-CD1 4.31Å; V105-L126 HydrophobicContact CG1-CB 3.97Å; V105-L126 HydrophobicContact CG1-CD2 3.97Å; V105-L126 HydrophobicContact CG1-CG 4.45Å; H122-L126 PolarHBondContact O-N 3.15Å; L123-L126 PolarHBondContact O-N 3.48Å; S124-L126 VanDerWaalsContact C-N 3.3Å; S124-L126 PolarHBondContact O-N 3.44Å; L126-A130 WeakPolarHBondContact O-CB 3.43Å; L126-A130 PolarHBondContact O-N 2.8Å; L126-I154 HydrophobicContact CD2-CG2 3.94Å
127A96.7Very high93.7Very high2 Ų226.2 Ų26.22%0.01715%0.146CC..Hα-helixtrans-67.3-42.1176.100000111.8L123 S124 A130 I131 L203 Y208 L229L123-A127 VanDerWaalsContact O-CB 3.28Å; L123-A127 WeakPolarHBondContact O-CB 3.44Å; L123-A127 PolarHBondContact O-N 3.03Å; S124-A127 PolarHBondContact O-N 3.4Å; A127-A130 PolarHBondContact O-N 2.86Å; A127-I131 VanDerWaalsContact O-CG1 3.29Å; A127-I131 WeakPolarHBondContact O-CG1 3.28Å; A127-I131 PolarHBondContact O-N 3.25Å; A127-L203 HydrophobicContact CB-CD1 4.09Å; A127-Y208 HydrophobicContact CB-CE1 4.11Å; A127-L229 HydrophobicContact CB-CD2 3.78Å
128D95.8Very high94.7Very high14 Ų1424 Ų248%0.07514%0.139CC..Hα-helixtrans-64-44.2176-69.5-19.3000111Y88 S124 A130 I131 E132 Y208 R232Y88-D128 HydrophobicContact CE1-CB 4.04Å; S124-D128 WeakPolarHBondContact O-CB 3.14Å; S124-D128 VanDerWaalsContact O-CG 3.23Å; S124-D128 PolarHBondContact O-N 2.95Å; D128-A130 PolarHBondContact O-N 3.02Å; D128-I131 PolarHBondContact O-N 3.27Å; D128-E132 PolarHBondContact O-N 2.94Å; D128-Y208 VanDerWaalsContact OD1-CE1 3.23Å; D128-Y208 WeakPolarHBondContact OD1-CE1 3.33Å; D128-Y208 PolarHBondContact OD1-OH 2.82Å; D128-Y208 PolarHBondContact OD2-OH 3.07Å; D128-R232 IonicContact OD1-CZ 3.62Å; D128-R232 IonicContact OD1-NH1 3.69Å; D128-R232 PolarHBondContact OD1-NH1 3.02Å; D128-R232 IonicContact OD2-NH1 3.43Å; D128-R232 PolarHBondContact OD2-NH1 2.89Å
129F97.3Very high95.2Very high0 Ų026.6 Ų26.60%014%0.144CC..Hα-helixtrans-58.2-47.8173.3-178.5-108.6000111.4M45 L82 M83 Y88 I91 Y101 T125 I131 E132 M133M45-F129 HydrophobicContact CE-CD1 3.64Å; M45-F129 HydrophobicContact CE-CE1 3.6Å; M45-F129 HydrophobicContact SD-CD1 4.45Å; L82-F129 HydrophobicContact CB-CE2 4.08Å; L82-F129 HydrophobicContact CD2-CD2 3.8Å; L82-F129 HydrophobicContact CD2-CE2 3.63Å; L82-F129 HydrophobicContact CD2-CZ 4.42Å; L82-F129 HydrophobicContact CG-CD2 3.81Å; L82-F129 HydrophobicContact CG-CE2 3.56Å; M83-F129 HydrophobicContact CB-CE2 3.92Å; M83-F129 HydrophobicContact CB-CZ 4.17Å; M83-F129 HydrophobicContact CE-CE1 4.08Å; M83-F129 HydrophobicContact CE-CE2 4.49Å; M83-F129 HydrophobicContact CE-CZ 3.77Å; Y88-F129 HydrophobicContact CD1-CB 3.81Å; Y88-F129 HydrophobicContact CD1-CD2 4.2Å; Y88-F129 HydrophobicContact CD1-CG 4.43Å; Y88-F129 HydrophobicContact CD2-CD2 4.11Å; Y88-F129 HydrophobicContact CE1-CB 3.75Å; Y88-F129 HydrophobicContact CE2-CD2 4.47Å; Y88-F129 HydrophobicContact CG-CB 4.46Å; Y88-F129 AromaticContact CG-CD2 3.99Å; Y88-F129 HydrophobicContact CG-CD2 3.99Å; I91-F129 HydrophobicContact CD1-CB 3.39Å; I91-F129 HydrophobicContact CD1-CD1 3.89Å; I91-F129 HydrophobicContact CD1-CD2 4.11Å; I91-F129 HydrophobicContact CD1-CG 3.54Å; Y101-F129 HydrophobicContact CE1-CE1 4.43Å; Y101-F129 HydrophobicContact CE1-CZ 4.48Å; T125-F129 WeakPolarHBondContact O-CB 3.45Å; T125-F129 PolarHBondContact O-N 3.4Å; F129-I131 VanDerWaalsContact C-N 3.27Å; F129-I131 PolarHBondContact O-N 2.96Å; F129-E132 PolarHBondContact O-N 3.25Å; F129-M133 HydrophobicContact CD1-CG 4.35Å; F129-M133 HydrophobicContact CD1-SD 3.89Å; F129-M133 HydrophobicContact CE1-CG 4.1Å; F129-M133 HydrophobicContact CE1-SD 3.49Å; F129-M133 WeakPolarHBondContact CE1-SD 3.36Å; F129-M133 HydrophobicContact CZ-CG 4.2Å; F129-M133 HydrophobicContact CZ-SD 4.05Å; F129-M133 VanDerWaalsContact O-CG 3.3Å; F129-M133 WeakPolarHBondContact O-CG 3.32Å; F129-M133 PolarHBondContact O-N 2.85Å
130A97.6Very high95.4Very high0 Ų025 Ų250%014%0.136CC..Hα-helixtrans-59.5-35.9177.800000113M45 L126 A127 D128 F134 V152 I154 I193M45-A130 HydrophobicContact SD-CB 3.65Å; L126-A130 WeakPolarHBondContact O-CB 3.43Å; L126-A130 PolarHBondContact O-N 2.8Å; A127-A130 PolarHBondContact O-N 2.86Å; D128-A130 PolarHBondContact O-N 3.02Å; A130-F134 WeakPolarHBondContact O-CD2 3.44Å; A130-F134 WeakPolarHBondContact O-CE2 3.32Å; A130-V152 HydrophobicContact CB-CG1 4.17Å; A130-I154 HydrophobicContact CB-CD1 4.03Å; A130-I193 HydrophobicContact CB-CD1 3.91Å
131I96.3Very high95.4Very high16 Ų1624.1 Ų24.18%0.08213%0.128CC..Hα-helixtrans-70.5-48.7176-67.7162.2000110.3A127 D128 F129 M133 F134 I193 Y208 L229 R232 L243A127-I131 VanDerWaalsContact O-CG1 3.29Å; A127-I131 WeakPolarHBondContact O-CG1 3.28Å; A127-I131 PolarHBondContact O-N 3.25Å; D128-I131 PolarHBondContact O-N 3.27Å; F129-I131 VanDerWaalsContact C-N 3.27Å; F129-I131 PolarHBondContact O-N 2.96Å; I131-M133 PolarHBondContact O-N 3.35Å; I131-F134 WeakPolarHBondContact O-CB 3.42Å; I131-F134 PolarHBondContact O-N 2.81Å; I131-F134 VanDerWaalsContact O-N 3.08Å; I131-I193 HydrophobicContact CG1-CD1 3.77Å; I131-Y208 HydrophobicContact CD1-CD1 4.41Å; I131-Y208 HydrophobicContact CD1-CE1 4.24Å; I131-L229 HydrophobicContact CD1-CD2 4.25Å; I131-L229 HydrophobicContact CG1-CD2 4.47Å; I131-R232 HydrophobicContact CD1-CG 4.26Å; I131-L243 HydrophobicContact CG1-CD2 4.49Å; I131-L243 HydrophobicContact CG2-CD2 4.41Å
132E96.5Very high95.5Very high60 Ų6031.3 Ų31.328%0.2815%0.15SC..Hα-helixtrans-62.9-27.9179-77.5-170.4-139.100112.8L82 K85 Y88 D128 F129 F134 D135 V136L82-E132 HydrophobicContact CD1-CB 4.01Å; L82-E132 WeakPolarHBondContact CD1-OE2 3.46Å; L82-E132 HydrophobicContact CD2-CB 3.91Å; K85-E132 IonicContact NZ-OE2 2.61Å; K85-E132 PolarHBondContact NZ-OE2 3.08Å; Y88-E132 PolarHBondContact OH-OE1 3.48Å; D128-E132 PolarHBondContact O-N 2.94Å; F129-E132 PolarHBondContact O-N 3.25Å; E132-F134 PolarHBondContact O-N 2.84Å; E132-D135 WeakPolarHBondContact O-CB 3.41Å; E132-D135 PolarHBondContact O-N 3Å; E132-D135 VanDerWaalsContact O-N 3.11Å; E132-V136 WeakPolarHBondContact O-CG2 3.38Å; E132-V136 PolarHBondContact O-N 2.95Å
133M97.5Very high95.5Very high0 Ų035.2 Ų35.20%017%0.168CC..Hα-helixtrans-60.5-29.1173.9-74.1179.582.800113.2M45 A47 F79 L82 Y101 F129 I131 L137 L150M45-M133 HydrophobicContact CE-SD 3.54Å; M45-M133 VanDerWaalsContact CE-SD 3.54Å; M45-M133 HydrophobicContact SD-SD 4.42Å; A47-M133 HydrophobicContact CB-CE 3.76Å; A47-M133 HydrophobicContact CB-SD 4.17Å; F79-M133 HydrophobicContact CB-CE 4.24Å; F79-M133 HydrophobicContact CD1-CB 4.42Å; F79-M133 HydrophobicContact CD1-CE 3.88Å; F79-M133 HydrophobicContact CD1-CG 4.14Å; F79-M133 HydrophobicContact CD2-CE 3.33Å; F79-M133 HydrophobicContact CE1-CB 4.05Å; F79-M133 HydrophobicContact CE1-CE 3.98Å; F79-M133 HydrophobicContact CE1-CG 4.26Å; F79-M133 WeakPolarHBondContact CE1-O 3.47Å; F79-M133 HydrophobicContact CE2-CE 3.44Å; F79-M133 VanDerWaalsContact CE2-CE 3.44Å; F79-M133 HydrophobicContact CG-CE 3.56Å; F79-M133 HydrophobicContact CZ-CB 4.5Å; F79-M133 HydrophobicContact CZ-CE 3.77Å; L82-M133 HydrophobicContact CD2-CG 3.84Å; Y101-M133 HydrophobicContact CD1-CE 4.39Å; Y101-M133 HydrophobicContact CG-CE 4.33Å; F129-M133 HydrophobicContact CD1-CG 4.35Å; F129-M133 HydrophobicContact CD1-SD 3.89Å; F129-M133 HydrophobicContact CE1-CG 4.1Å; F129-M133 HydrophobicContact CE1-SD 3.49Å; F129-M133 WeakPolarHBondContact CE1-SD 3.36Å; F129-M133 HydrophobicContact CZ-CG 4.2Å; F129-M133 HydrophobicContact CZ-SD 4.05Å; F129-M133 VanDerWaalsContact O-CG 3.3Å; F129-M133 WeakPolarHBondContact O-CG 3.32Å; F129-M133 PolarHBondContact O-N 2.85Å; I131-M133 PolarHBondContact O-N 3.35Å; M133-L137 WeakPolarHBondContact O-CB 3.23Å; M133-L137 PolarHBondContact O-N 3.33Å; M133-L150 HydrophobicContact CB-CD2 3.66Å
134F96.6Very high95.1Very high11 Ų1136.7 Ų36.75%0.04818%0.179CC..Hα-helixtrans-68.8-43.4173.5-75.3-98.6000111A130 I131 E132 V136 L137 D138 L150 V152 I193 L243A130-F134 WeakPolarHBondContact O-CD2 3.44Å; A130-F134 WeakPolarHBondContact O-CE2 3.32Å; I131-F134 WeakPolarHBondContact O-CB 3.42Å; I131-F134 PolarHBondContact O-N 2.81Å; I131-F134 VanDerWaalsContact O-N 3.08Å; E132-F134 PolarHBondContact O-N 2.84Å; F134-V136 VanDerWaalsContact C-N 3.3Å; F134-V136 PolarHBondContact O-N 3.47Å; F134-L137 PolarHBondContact O-N 2.84Å; F134-D138 WeakPolarHBondContact O-CB 3.24Å; F134-D138 PolarHBondContact O-N 2.68Å; F134-L150 HydrophobicContact CD1-CB 4Å; F134-L150 HydrophobicContact CD2-CD2 3.85Å; F134-L150 HydrophobicContact CE1-CB 3.7Å; F134-L150 HydrophobicContact CE1-CD2 4.48Å; F134-L150 HydrophobicContact CE1-CG 4.46Å; F134-L150 WeakPolarHBondContact CE1-O 3.3Å; F134-L150 HydrophobicContact CE2-CB 4.45Å; F134-L150 HydrophobicContact CE2-CD2 3.8Å; F134-L150 HydrophobicContact CE2-CG 4.37Å; F134-L150 HydrophobicContact CG-CB 4.49Å; F134-L150 HydrophobicContact CG-CD2 4.21Å; F134-L150 HydrophobicContact CZ-CB 3.95Å; F134-L150 HydrophobicContact CZ-CD2 4.13Å; F134-L150 HydrophobicContact CZ-CG 4.22Å; F134-V152 HydrophobicContact CE2-CG2 3.83Å; F134-V152 HydrophobicContact CZ-CG2 4.13Å; F134-I193 HydrophobicContact CD2-CD1 4.46Å; F134-I193 HydrophobicContact CE2-CD1 3.9Å; F134-I193 HydrophobicContact CE2-CG1 3.51Å; F134-I193 HydrophobicContact CZ-CG1 4.03Å; F134-L243 HydrophobicContact CB-CD2 4.23Å; F134-L243 HydrophobicContact CD1-CD2 4.29Å; F134-L243 HydrophobicContact CD2-CD2 3.55Å; F134-L243 HydrophobicContact CE2-CD2 3.93Å; F134-L243 HydrophobicContact CG-CD2 3.77Å; F134-L243 HydrophobicContact CZ-CD2 4.44Å
135D95.9Very high94.7Very high82 Ų8245.6 Ų45.644%0.43921%0.21SC..Hα-helixtrans-61.7-40.8177.9-66.3-35.6000111E132 D138 E139E132-D135 WeakPolarHBondContact O-CB 3.41Å; E132-D135 PolarHBondContact O-N 3Å; E132-D135 VanDerWaalsContact O-N 3.11Å; D135-D138 PolarHBondContact O-N 3.41Å; D135-E139 PolarHBondContact O-N 3.24Å; D135-E139 VanDerWaalsContact O-N 3.1Å
136V96.6Very high94.5Very high25 Ų2547.5 Ų47.515%0.15222%0.221CC..Hα-helixtrans-63.6-46.2175.1173.10000111.3D78 F79 L82 E132 F134 D138 E139 I140D78-V136 HydrophobicContact CB-CG1 3.69Å; F79-V136 HydrophobicContact CD1-CB 4.3Å; F79-V136 HydrophobicContact CD1-CG1 3.85Å; F79-V136 HydrophobicContact CE1-CB 4.15Å; F79-V136 HydrophobicContact CE1-CG1 3.91Å; L82-V136 HydrophobicContact CD2-CG2 4.07Å; E132-V136 WeakPolarHBondContact O-CG2 3.38Å; E132-V136 PolarHBondContact O-N 2.95Å; F134-V136 VanDerWaalsContact C-N 3.3Å; F134-V136 PolarHBondContact O-N 3.47Å; V136-D138 VanDerWaalsContact C-N 3.32Å; V136-D138 PolarHBondContact O-N 2.94Å; V136-E139 PolarHBondContact O-N 3.3Å; V136-I140 HydrophobicContact CG1-CD1 4.19Å; V136-I140 WeakPolarHBondContact O-CG1 3.27Å; V136-I140 PolarHBondContact O-N 3.2Å; V136-I140 VanDerWaalsContact O-N 3.12Å
137L96.2Very high94.2Very high3 Ų353.6 Ų53.62%0.01625%0.253CS..Hα-helixtrans-65-37.7179-171.965.2000112I49 I75 F79 M133 F134 E139 I140 N141 F148 L150I49-L137 HydrophobicContact CD1-CD1 4.26Å; I75-L137 HydrophobicContact CD1-CD1 4.18Å; I75-L137 HydrophobicContact CG1-CD1 4.25Å; I75-L137 HydrophobicContact CG2-CD1 4.01Å; F79-L137 HydrophobicContact CZ-CB 4.42Å; M133-L137 WeakPolarHBondContact O-CB 3.23Å; M133-L137 PolarHBondContact O-N 3.33Å; F134-L137 PolarHBondContact O-N 2.84Å; L137-E139 VanDerWaalsContact C-N 3.31Å; L137-E139 PolarHBondContact O-N 3.01Å; L137-I140 PolarHBondContact O-N 2.65Å; L137-N141 WeakPolarHBondContact O-CB 3.5Å; L137-N141 PolarHBondContact O-N 3.49Å; L137-N141 PolarHBondContact O-ND2 3.47Å; L137-F148 HydrophobicContact CD1-CB 3.96Å; L137-F148 HydrophobicContact CD2-CB 4.08Å; L137-F148 WeakPolarHBondContact CD2-O 3.47Å; L137-F148 HydrophobicContact CG-CB 4.24Å; L137-L150 HydrophobicContact CD2-CB 3.69Å; L137-L150 HydrophobicContact CD2-CD1 4.42Å
138D95.3Very high94.1Very high57 Ų5753.8 Ų53.831%0.30525%0.253SS..Hα-helixtrans-61.6-39175.6-80.9-1.7000111.7F134 D135 V136 N141 Y142F134-D138 WeakPolarHBondContact O-CB 3.24Å; F134-D138 PolarHBondContact O-N 2.68Å; D135-D138 PolarHBondContact O-N 3.41Å; V136-D138 VanDerWaalsContact C-N 3.32Å; V136-D138 PolarHBondContact O-N 2.94Å; D138-N141 PolarHBondContact O-N 3.3Å; D138-Y142 WeakPolarHBondContact O-CB 3.43Å; D138-Y142 PolarHBondContact O-N 3.44Å
139E95.4Very high94.1Very high117 Ų11754.8 Ų54.855%0.54726%0.26SS..Hα-helixtrans-64.7-44.7175-178.4164.1-161.200111.7D135 V136 L137 N141 Y142 Q143D135-E139 PolarHBondContact O-N 3.24Å; D135-E139 VanDerWaalsContact O-N 3.1Å; V136-E139 PolarHBondContact O-N 3.3Å; L137-E139 VanDerWaalsContact C-N 3.31Å; L137-E139 PolarHBondContact O-N 3.01Å; E139-N141 PolarHBondContact O-N 3.44Å; E139-Y142 WeakPolarHBondContact O-CB 3.19Å; E139-Y142 PolarHBondContact O-N 2.95Å; E139-Q143 WeakPolarHBondContact O-CG 3.49Å; E139-Q143 PolarHBondContact O-N 2.93Å; E139-Q143 PolarHBondContact OE1-NE2 3.5Å
140I93.4Very high94.1Very high2 Ų254.9 Ų54.91%0.0126%0.26CS..Hα-helixtrans-63.6-42.6176.7-62.6169.8000111L71 I75 D78 V136 L137 Y142 Q143 S144L71-I140 HydrophobicContact CD1-CG2 4.26Å; I75-I140 HydrophobicContact CB-CD1 4.13Å; I75-I140 HydrophobicContact CG1-CD1 3.78Å; I75-I140 HydrophobicContact CG1-CG2 3.91Å; I75-I140 HydrophobicContact CG2-CD1 4.36Å; D78-I140 HydrophobicContact CB-CD1 3.97Å; D78-I140 VanDerWaalsContact OD2-CD1 3.27Å; D78-I140 WeakPolarHBondContact OD2-CD1 3.47Å; D78-I140 WeakPolarHBondContact OD2-CG1 3.44Å; V136-I140 HydrophobicContact CG1-CD1 4.19Å; V136-I140 WeakPolarHBondContact O-CG1 3.27Å; V136-I140 PolarHBondContact O-N 3.2Å; V136-I140 VanDerWaalsContact O-N 3.12Å; L137-I140 PolarHBondContact O-N 2.65Å; I140-Y142 VanDerWaalsContact C-N 3.29Å; I140-Y142 PolarHBondContact O-N 3.08Å; I140-Q143 PolarHBondContact O-N 2.87Å; I140-S144 VanDerWaalsContact O-CB 3.26Å; I140-S144 WeakPolarHBondContact O-CB 3.3Å; I140-S144 PolarHBondContact O-N 2.98Å; I140-S144 PolarHBondContact O-OG 2.92Å
141N92.8Very high94.1Very high14 Ų1456.8 Ų56.88%0.07527%0.268CS..Hα-helixtrans-57-45175-82.1-23000111.3L137 D138 E139 Y145 N146 F148L137-N141 WeakPolarHBondContact O-CB 3.5Å; L137-N141 PolarHBondContact O-N 3.49Å; L137-N141 PolarHBondContact O-ND2 3.47Å; D138-N141 PolarHBondContact O-N 3.3Å; E139-N141 PolarHBondContact O-N 3.44Å; N141-Y145 WeakPolarHBondContact O-CA 3.48Å; N141-Y145 PolarHBondContact O-N 3.1Å; N141-N146 WeakPolarHBondContact CA-O 3.25Å; N141-N146 VanDerWaalsContact CB-O 3.23Å; N141-N146 WeakPolarHBondContact CB-O 3.34Å; N141-N146 PolarHBondContact O-N 2.83Å; N141-N146 VanDerWaalsContact O-N 3.16Å; N141-N146 PolarHBondContact OD1-O 3.19Å; N141-F148 PolarHBondContact ND2-N 2.89Å; N141-F148 PolarHBondContact ND2-O 2.79Å; N141-F148 WeakPolarHBondContact OD1-CB 3.15Å; N141-F148 WeakPolarHBondContact OD1-CD2 3.48Å; N141-F148 PolarHBondContact OD1-N 3.09Å
142Y93.3Very high94.2Very high198 Ų19856 Ų5678%0.77626%0.264SS*.Hα-helixtrans-62.8-43177.1-179.7-98.1000112.6D138 E139 I140D138-Y142 WeakPolarHBondContact O-CB 3.43Å; D138-Y142 PolarHBondContact O-N 3.44Å; E139-Y142 WeakPolarHBondContact O-CB 3.19Å; E139-Y142 PolarHBondContact O-N 2.95Å; I140-Y142 VanDerWaalsContact C-N 3.29Å; I140-Y142 PolarHBondContact O-N 3.08Å
143Q91.5Very high94.3Very high110 Ų11053.1 Ų53.151%0.51425%0.25SS..Hα-helixtrans-74.8-34.9-178.4-67.2-179.213.800113.2E139 I140E139-Q143 WeakPolarHBondContact O-CG 3.49Å; E139-Q143 PolarHBondContact O-N 2.93Å; E139-Q143 PolarHBondContact OE1-NE2 3.5Å; I140-Q143 PolarHBondContact O-N 2.87Å
144S86.5Confident94.4Very high34 Ų3453.3 Ų53.324%0.23825%0.251CS..Hα-helixtrans-95.1-5.1-175.268.50000114.2I140 N146I140-S144 VanDerWaalsContact O-CB 3.26Å; I140-S144 WeakPolarHBondContact O-CB 3.3Å; I140-S144 PolarHBondContact O-N 2.98Å; I140-S144 PolarHBondContact O-OG 2.92Å; S144-N146 VanDerWaalsContact C-N 3.28Å; S144-N146 VanDerWaalsContact CB-ND2 3.33Å; S144-N146 WeakPolarHBondContact CB-ND2 3.34Å; S144-N146 PolarHBondContact O-N 2.77Å; S144-N146 PolarHBondContact O-ND2 3.35Å; S144-N146 PolarHBondContact OG-ND2 3.13Å
145Y87.9Confident94.4Very high206 Ų20653.4 Ų53.481%0.80825%0.252SS*.THydrogen-bonded Turntrans57.538.3-173.5-55.3-87.8000113.2N141N141-Y145 WeakPolarHBondContact O-CA 3.48Å; N141-Y145 PolarHBondContact O-N 3.1Å
146N88.9Confident94.5Very high47 Ų4749.9 Ų49.925%0.25123%0.234SC..  trans-113.5172.1174.9-67.5-71.4000111.1F55 L71 N141 S144 F148F55-N146 WeakPolarHBondContact CE2-OD1 3.39Å; L71-N146 WeakPolarHBondContact CD2-ND2 3.38Å; N141-N146 WeakPolarHBondContact CA-O 3.25Å; N141-N146 VanDerWaalsContact CB-O 3.23Å; N141-N146 WeakPolarHBondContact CB-O 3.34Å; N141-N146 PolarHBondContact O-N 2.83Å; N141-N146 VanDerWaalsContact O-N 3.16Å; N141-N146 PolarHBondContact OD1-O 3.19Å; S144-N146 VanDerWaalsContact C-N 3.28Å; S144-N146 VanDerWaalsContact CB-ND2 3.33Å; S144-N146 WeakPolarHBondContact CB-ND2 3.34Å; S144-N146 PolarHBondContact O-N 2.77Å; S144-N146 PolarHBondContact O-ND2 3.35Å; S144-N146 PolarHBondContact OG-ND2 3.13Å; N146-F148 HydrophobicContact CB-CD2 3.88Å; N146-F148 HydrophobicContact CB-CE2 3.57Å; N146-F148 HydrophobicContact CB-CZ 4.11Å
147D91.4Very high94.5Very high127 Ų12749 Ų4968%0.67923%0.23SC*.  trans-133.356.1-180-171.828000110.1N51N51-D147 PolarHBondContact ND2-O 2.72Å
148F94.4Very high94.5Very high6 Ų652.7 Ų52.73%0.02625%0.254CS..  trans-69.3138.4174.9-65.2-59000111I49 F52 F55 L71 I75 L137 N141 N146I49-F148 HydrophobicContact CG2-CB 3.79Å; I49-F148 HydrophobicContact CG2-CD1 3.86Å; I49-F148 HydrophobicContact CG2-CG 4.09Å; F52-F148 HydrophobicContact CD2-CD1 4.36Å; F52-F148 AromaticContact CD2-CE1 3.77Å; F52-F148 HydrophobicContact CD2-CE1 3.77Å; F52-F148 HydrophobicContact CD2-CZ 4.14Å; F52-F148 HydrophobicContact CE2-CE1 4.49Å; F52-F148 HydrophobicContact CE2-CZ 4.44Å; F55-F148 HydrophobicContact CB-CE1 3.96Å; F55-F148 AromaticContact CD1-CE1 3.98Å; F55-F148 HydrophobicContact CD1-CE1 3.98Å; F55-F148 AromaticContact CD1-CZ 3.8Å; F55-F148 HydrophobicContact CD1-CZ 3.8Å; F55-F148 HydrophobicContact CD2-CE1 4.37Å; F55-F148 HydrophobicContact CD2-CZ 4.22Å; F55-F148 AromaticContact CE1-CZ 3.95Å; F55-F148 HydrophobicContact CE1-CZ 3.95Å; F55-F148 HydrophobicContact CE2-CZ 4.37Å; F55-F148 AromaticContact CG-CE1 3.86Å; F55-F148 HydrophobicContact CG-CE1 3.86Å; F55-F148 AromaticContact CG-CZ 3.94Å; F55-F148 HydrophobicContact CG-CZ 3.94Å; F55-F148 HydrophobicContact CZ-CZ 4.24Å; L71-F148 HydrophobicContact CD2-CE2 3.51Å; L71-F148 HydrophobicContact CD2-CZ 3.72Å; L71-F148 HydrophobicContact CG-CE2 4.02Å; L71-F148 HydrophobicContact CG-CZ 4.46Å; I75-F148 HydrophobicContact CD1-CD2 3.93Å; I75-F148 HydrophobicContact CD1-CE2 4.1Å; L137-F148 HydrophobicContact CD1-CB 3.96Å; L137-F148 HydrophobicContact CD2-CB 4.08Å; L137-F148 WeakPolarHBondContact CD2-O 3.47Å; L137-F148 HydrophobicContact CG-CB 4.24Å; N141-F148 PolarHBondContact ND2-N 2.89Å; N141-F148 PolarHBondContact ND2-O 2.79Å; N141-F148 WeakPolarHBondContact OD1-CB 3.15Å; N141-F148 WeakPolarHBondContact OD1-CD2 3.48Å; N141-F148 PolarHBondContact OD1-N 3.09Å; N146-F148 HydrophobicContact CB-CD2 3.88Å; N146-F148 HydrophobicContact CB-CE2 3.57Å; N146-F148 HydrophobicContact CB-CZ 4.11Å
149V95.3Very high94.5Very high35 Ų3550.2 Ų50.221%0.21224%0.24CC..  trans-116.2121.9-179-1720000109.9P50 N51 Q190P50-V149 WeakPolarHBondContact CD-O 3.15Å; N51-V149 PolarHBondContact OD1-N 2.81Å; V149-Q190 HydrophobicContact CB-CB 4.42Å; V149-Q190 HydrophobicContact CG1-CB 3.73Å
150L97.1Very high94.5Very high2 Ų247.4 Ų47.41%0.0123%0.231CC..  trans-78.3142.3175.9-162.265.8000110.8A47 I49 F79 M133 F134 L137 V152 G191A47-L150 HydrophobicContact CB-CD1 4.2Å; I49-L150 HydrophobicContact CG1-CD1 4.07Å; F79-L150 HydrophobicContact CE2-CD1 4.45Å; F79-L150 HydrophobicContact CZ-CD1 4.26Å; M133-L150 HydrophobicContact CB-CD2 3.66Å; F134-L150 HydrophobicContact CD1-CB 4Å; F134-L150 HydrophobicContact CD2-CD2 3.85Å; F134-L150 HydrophobicContact CE1-CB 3.7Å; F134-L150 HydrophobicContact CE1-CD2 4.48Å; F134-L150 HydrophobicContact CE1-CG 4.46Å; F134-L150 WeakPolarHBondContact CE1-O 3.3Å; F134-L150 HydrophobicContact CE2-CB 4.45Å; F134-L150 HydrophobicContact CE2-CD2 3.8Å; F134-L150 HydrophobicContact CE2-CG 4.37Å; F134-L150 HydrophobicContact CG-CB 4.49Å; F134-L150 HydrophobicContact CG-CD2 4.21Å; F134-L150 HydrophobicContact CZ-CB 3.95Å; F134-L150 HydrophobicContact CZ-CD2 4.13Å; F134-L150 HydrophobicContact CZ-CG 4.22Å; L137-L150 HydrophobicContact CD2-CB 3.69Å; L137-L150 HydrophobicContact CD2-CD1 4.42Å; L150-V152 HydrophobicContact CD2-CG2 3.81Å; L150-V152 HydrophobicContact CG-CG2 3.88Å; L150-G191 VanDerWaalsContact O-CA 3.3Å; L150-G191 WeakPolarHBondContact O-CA 3.48Å; L150-G191 PolarHBondContact O-N 3Å
151R97.8Very high94.5Very high40 Ų4047.3 Ų47.315%0.15123%0.231CC..EExtended strand (participates in β ladder)trans-131.2132.6168.8-180-178.365.5178.7-0.7108.2A47 S48 P50 D185 S186 G188A47-R151 CarbonylContact C-O 3.54Å; A47-R151 WeakPolarHBondContact CA-O 3.28Å; S48-R151 PolarHBondContact N-O 2.6Å; S48-R151 PolarHBondContact O-N 3.07Å; S48-R151 PolarHBondContact OG-NE 3.22Å; S48-R151 PolarHBondContact OG-NH2 2.85Å; S48-R151 VanDerWaalsContact OG-NH2 3.07Å; P50-R151 HydrophobicContact CG-CB 3.99Å; R151-D185 WeakPolarHBondContact CD-O 3.43Å; R151-D185 IonicContact CZ-OD1 3.74Å; R151-D185 PolarHBondContact NE-O 2.75Å; R151-D185 IonicContact NE-OD1 3.67Å; R151-D185 PolarHBondContact NE-OD1 3Å; R151-D185 PolarHBondContact NH1-O 2.94Å; R151-D185 IonicContact NH2-OD1 3.36Å; R151-D185 IonicContact NH2-OD2 2.81Å; R151-S186 PolarHBondContact NH1-O 3.15Å; R151-G188 VanDerWaalsContact CD-O 3.31Å; R151-G188 WeakPolarHBondContact CD-O 3.25Å
152V98.5Very high94.4Very high0 Ų046.8 Ų46.80%023%0.229CC..EExtended strand (participates in β ladder)trans-127.3136.7-175.4-173.20000111.1M45 F46 A47 A130 F134 L150 I154 R192 I193 Q194M45-V152 HydrophobicContact CG-CG1 3.46Å; M45-V152 VanDerWaalsContact CG-CG1 3.46Å; M45-V152 HydrophobicContact SD-CG1 3.64Å; F46-V152 CarbonylContact O-C 3.59Å; F46-V152 VanDerWaalsContact O-CA 3.31Å; F46-V152 WeakPolarHBondContact O-CA 3.25Å; A47-V152 HydrophobicContact CB-CG1 4.42Å; A47-V152 HydrophobicContact CB-CG2 3.92Å; A130-V152 HydrophobicContact CB-CG1 4.17Å; F134-V152 HydrophobicContact CE2-CG2 3.83Å; F134-V152 HydrophobicContact CZ-CG2 4.13Å; L150-V152 HydrophobicContact CD2-CG2 3.81Å; L150-V152 HydrophobicContact CG-CG2 3.88Å; V152-I154 HydrophobicContact CG1-CD1 4.39Å; V152-I154 HydrophobicContact CG1-CG1 4.01Å; V152-R192 PolarHBondContact N-O 2.82Å; V152-R192 VanDerWaalsContact N-O 3.16Å; V152-I193 HydrophobicContact CB-CB 4.32Å; V152-I193 HydrophobicContact CB-CG1 4.01Å; V152-I193 HydrophobicContact CB-CG2 4.13Å; V152-I193 HydrophobicContact CG1-CG2 4.16Å; V152-I193 HydrophobicContact CG2-CG1 4.29Å; V152-I193 CarbonylContact O-C 3.57Å; V152-I193 WeakPolarHBondContact O-CA 3.35Å; V152-Q194 PolarHBondContact O-N 3.01Å
153G98.4Very high94.2Very high0 Ų038 Ų380%020%0.196CC..EExtended strand (participates in β ladder)trans-120.1126.5171.400000111.8M45 F46 Q194M45-G153 WeakPolarHBondContact CA-O 3.44Å; F46-G153 PolarHBondContact N-O 2.87Å; F46-G153 PolarHBondContact O-N 3.34Å; G153-Q194 CarbonylContact C-O 3.58Å; G153-Q194 WeakPolarHBondContact CA-O 3.36Å
154I98.5Very high94Very high4 Ų437.2 Ų37.22%0.02119%0.194CC..EExtended strand (participates in β ladder)trans-122.6135.7179.9-51.7177.3000110.6V44 M45 L126 A130 V152 I193 Q194 V195 T196 V199V44-I154 WeakPolarHBondContact O-CA 3.13Å; M45-I154 HydrophobicContact CB-CG1 4.36Å; M45-I154 HydrophobicContact CG-CG1 4.06Å; L126-I154 HydrophobicContact CD2-CG2 3.94Å; A130-I154 HydrophobicContact CB-CD1 4.03Å; V152-I154 HydrophobicContact CG1-CD1 4.39Å; V152-I154 HydrophobicContact CG1-CG1 4.01Å; I154-I193 HydrophobicContact CD1-CG2 3.71Å; I154-I193 HydrophobicContact CG1-CG2 4.14Å; I154-Q194 PolarHBondContact N-O 3.44Å; I154-V195 HydrophobicContact CB-CG1 4.06Å; I154-V195 HydrophobicContact CD1-CG1 4.42Å; I154-V195 WeakPolarHBondContact O-CA 3.12Å; I154-T196 PolarHBondContact O-N 2.83Å; I154-V199 HydrophobicContact CG2-CG1 4.41Å; I154-V199 HydrophobicContact CG2-CG2 4.28Å
155N98.2Very high93.6Very high12 Ų1237.6 Ų37.66%0.06420%0.204CC..EExtended strand (participates in β ladder)trans-141.9162.5169.2-175.945.5000111V44 T177 V180 A181 T196V44-N155 PolarHBondContact N-O 3.34Å; V44-N155 PolarHBondContact O-N 2.83Å; N155-T177 PolarHBondContact ND2-O 3.41Å; N155-T177 VanDerWaalsContact ND2-O 3.15Å; N155-V180 HydrophobicContact CB-CG1 4.17Å; N155-A181 HydrophobicContact CB-CB 3.85Å; N155-T196 HydrophobicContact CB-CG2 3.95Å; N155-T196 WeakPolarHBondContact OD1-CB 3.39Å; N155-T196 WeakPolarHBondContact OD1-CG2 3.38Å; N155-T196 PolarHBondContact OD1-OG1 3Å
156V97.6Very high92.9Very high9 Ų933.1 Ų33.16%0.05521%0.209CC..EExtended strand (participates in β ladder)trans-129.1147.6176.565.40000110.8V42 I119 L123 E198 V199 L202V42-V156 WeakPolarHBondContact O-CA 3.44Å; I119-V156 HydrophobicContact CD1-CG2 3.85Å; I119-V156 HydrophobicContact CG1-CG2 3.86Å; L123-V156 HydrophobicContact CD1-CB 4.07Å; L123-V156 HydrophobicContact CD1-CG1 4.26Å; L123-V156 HydrophobicContact CD1-CG2 4.06Å; L123-V156 HydrophobicContact CD2-CB 4.08Å; L123-V156 HydrophobicContact CD2-CG2 4.23Å; L123-V156 HydrophobicContact CG-CG2 4.44Å; V156-E198 HydrophobicContact CG1-CB 4.04Å; V156-E198 HydrophobicContact CG1-CG 3.49Å; V156-E198 VanDerWaalsContact CG1-CG 3.49Å; V156-V199 HydrophobicContact CB-CG2 4.15Å; V156-V199 HydrophobicContact CG1-CG2 3.85Å; V156-L202 HydrophobicContact CG1-CD1 3.87Å; V156-L202 HydrophobicContact CG2-CD1 4.45Å
157G96.3Very high92.1Very high6 Ų642.5 Ų42.56%0.06224%0.241CC..EExtended strand (participates in β ladder)trans160-169.9175.100000113.3S40 V42 T177S40-G157 CarbonylContact O-C 3.59Å; V42-G157 PolarHBondContact N-O 3Å; V42-G157 PolarHBondContact O-N 3.31Å; V42-G157 VanDerWaalsContact O-N 3.09Å; G157-T177 VanDerWaalsContact C-OG1 3.22Å; G157-T177 WeakPolarHBondContact CA-OG1 3.36Å; G157-T177 VanDerWaalsContact N-CG2 3.31Å
158P95.9Very high91.5Very high80 Ų8046.5 Ų46.552%0.51925%0.247SC..EExtended strand (participates in β ladder)trans-73.1145.4-179.530.2-35.1000111.7Y39 S40 T177Y39-P158 CarbonylContact O-C 3.5Å; Y39-P158 WeakPolarHBondContact O-CA 3.43Å; S40-P158 WeakPolarHBondContact O-CA 3.34Å; P158-T177 WeakPolarHBondContact O-CB 3.47Å; P158-T177 PolarHBondContact O-OG1 3.16Å
159V96.7Very high90.9Very high5 Ų549.3 Ų49.33%0.0327%0.265CS..EExtended strand (participates in β ladder)trans-143.3159.1175.3-590000110.3Y39 V42 V44 L107 W174 T177 V178Y39-V159 HydrophobicContact CD2-CG2 4.4Å; Y39-V159 PolarHBondContact N-O 2.88Å; Y39-V159 PolarHBondContact O-N 3.48Å; Y39-V159 VanDerWaalsContact O-O 3.13Å; V42-V159 HydrophobicContact CB-CG1 4.31Å; V42-V159 HydrophobicContact CB-CG2 3.67Å; V42-V159 HydrophobicContact CG1-CG2 3.99Å; V42-V159 HydrophobicContact CG2-CG2 3.45Å; V42-V159 VanDerWaalsContact CG2-CG2 3.45Å; V44-V159 HydrophobicContact CG2-CG1 4.33Å; L107-V159 HydrophobicContact CD2-CG2 4.1Å; V159-W174 CarbonylContact C-O 3.59Å; V159-W174 WeakPolarHBondContact CA-O 3.4Å; V159-T177 HydrophobicContact CG1-CG2 4.16Å; V159-V178 HydrophobicContact CG1-CG2 3.99Å
160V95Very high90.4Very high59 Ų5954 Ų5436%0.35829%0.285SS..EExtended strand (participates in β ladder)trans-114.2120.8168.8-1790000107Q37 I173 W174Q37-V160 CarbonylContact O-C 3.56Å; Q37-V160 WeakPolarHBondContact O-CA 3.16Å; V160-I173 CarbonylContact O-C 3.58Å; V160-I173 WeakPolarHBondContact O-CA 3.21Å; V160-W174 PolarHBondContact N-O 3.41Å; V160-W174 PolarHBondContact O-N 2.62Å
161A93.1Very high90.1Very high0 Ų054.8 Ų54.80%029%0.288CS..EExtended strand (participates in β ladder)trans-94.8154.4171.100000110Y36 Q37 Y39 L107 Y171 D172 I173Y36-A161 CarbonylContact C-O 3.57Å; Y36-A161 VanDerWaalsContact CA-O 3.25Å; Y36-A161 WeakPolarHBondContact CA-O 3.34Å; Q37-A161 PolarHBondContact N-O 3.19Å; Q37-A161 PolarHBondContact O-N 2.88Å; Y39-A161 HydrophobicContact CD2-CB 4.22Å; Y39-A161 HydrophobicContact CE2-CB 3.68Å; L107-A161 HydrophobicContact CD2-CB 4.49Å; A161-Y171 HydrophobicContact CB-CE2 3.74Å; A161-D172 WeakPolarHBondContact CA-O 3.42Å; A161-I173 HydrophobicContact CB-CG2 3.8Å
162G91.1Very high90Very high3 Ų353.9 Ų53.93%0.03129%0.286CS..EExtended strand (participates in β ladder)trans-176.2168.717800000112.9Y35 Y171 D172Y35-G162 CarbonylContact O-C 3.53Å; Y35-G162 WeakPolarHBondContact O-CA 3.41Å; G162-Y171 WeakPolarHBondContact O-CA 3.39Å; G162-D172 PolarHBondContact N-O 3.38Å; G162-D172 PolarHBondContact O-N 3.25Å
163V89.3Confident89.8Confident13 Ų1354 Ų548%0.07929%0.287CS..EExtended strand (participates in β ladder)trans-112.2120.7177.2178.70000109.5L16 V20 F24 L34 Y35 P169 Q170 Y171L16-V163 HydrophobicContact CD2-CG1 4.33Å; L16-V163 HydrophobicContact CD2-CG2 3.9Å; V20-V163 HydrophobicContact CG1-CG2 3.55Å; F24-V163 HydrophobicContact CE2-CB 4.18Å; F24-V163 HydrophobicContact CE2-CG1 4.42Å; F24-V163 HydrophobicContact CE2-CG2 3.86Å; F24-V163 HydrophobicContact CZ-CB 4.1Å; F24-V163 HydrophobicContact CZ-CG1 4.26Å; F24-V163 HydrophobicContact CZ-CG2 4.29Å; L34-V163 WeakPolarHBondContact CD1-O 3.33Å; Y35-V163 HydrophobicContact CD1-CG2 4.05Å; Y35-V163 PolarHBondContact O-N 3.02Å; V163-P169 HydrophobicContact CG1-CB 3.52Å; V163-Q170 WeakPolarHBondContact CA-O 3.37Å; V163-Y171 HydrophobicContact CG2-CD2 4.11Å
164I85.6Confident89.7Confident93 Ų9358.7 Ų58.748%0.47730%0.304SS..EExtended strand (participates in β ladder)trans-116141179-61.3-176.8000109.9P169 Q170 W174I164-P169 CarbonylContact O-C 3.58Å; I164-P169 WeakPolarHBondContact O-CA 3.49Å; I164-Q170 PolarHBondContact N-O 2.84Å; I164-Q170 PolarHBondContact O-N 3Å; I164-W174 HydrophobicContact CD1-CH2 3.42Å; I164-W174 VanDerWaalsContact CD1-CH2 3.42Å; I164-W174 HydrophobicContact CD1-CZ2 3.33Å; I164-W174 HydrophobicContact CD1-CZ3 4.28Å; I164-W174 HydrophobicContact CG1-CH2 3.65Å; I164-W174 HydrophobicContact CG1-CZ2 4.02Å
165G79Confident89.5Confident43 Ų4359.9 Ų59.944%0.44332%0.318SS..  trans114118.8170.600000113.3P169G165-P169 WeakPolarHBondContact O-CA 3.2Å
166A72.5Confident89.4Confident112 Ų11263.1 Ų63.193%0.92634%0.335SS*.SBendtrans-74.3-31.7-175.300000114.3
167R72.6Confident89.4Confident243 Ų24363 Ų6392%0.91733%0.334SS*.SBendtrans-106.2-27.6-179-64.7-173-176.6-1661.9113.7
168R79.2Confident89.4Confident212 Ų21263.3 Ų63.380%0.834%0.335SS*.SBendtrans-134.481.7178.4-69.6-173.9179.1178.1-0.5107.1Q170R168-Q170 PolarHBondContact O-N 3.01Å
169P81.7Confident89.5Confident64 Ų6464.4 Ų64.442%0.41634%0.337SS..  trans-62.3130.8-18024.9-32.5000109.5V163 I164 G165V163-P169 HydrophobicContact CG1-CB 3.52Å; I164-P169 CarbonylContact O-C 3.58Å; I164-P169 WeakPolarHBondContact O-CA 3.49Å; G165-P169 WeakPolarHBondContact O-CA 3.2Å
170Q85.6Confident89.5Confident135 Ų13564.5 Ų64.563%0.63134%0.337SS*.EExtended strand (participates in β ladder)trans-122.1120.1176.4-68-176.9-15.100108.3V163 I164 R168V163-Q170 WeakPolarHBondContact CA-O 3.37Å; I164-Q170 PolarHBondContact N-O 2.84Å; I164-Q170 PolarHBondContact O-N 3Å; R168-Q170 PolarHBondContact O-N 3.01Å
171Y90.6Very high89.6Confident17 Ų1761.7 Ų61.77%0.06732%0.32CS..EExtended strand (participates in β ladder)trans-76.4133.6166176.6-103.2000109.4P17 V20 I94 A161 G162 V163P17-Y171 HydrophobicContact CG-CD1 3.42Å; P17-Y171 VanDerWaalsContact CG-CD1 3.42Å; P17-Y171 HydrophobicContact CG-CD2 4Å; P17-Y171 HydrophobicContact CG-CE1 3.39Å; P17-Y171 HydrophobicContact CG-CE2 3.99Å; P17-Y171 HydrophobicContact CG-CG 3.7Å; V20-Y171 HydrophobicContact CG2-CD2 4Å; V20-Y171 HydrophobicContact CG2-CE2 3.8Å; I94-Y171 HydrophobicContact CD1-CE1 3.93Å; A161-Y171 HydrophobicContact CB-CE2 3.74Å; G162-Y171 WeakPolarHBondContact O-CA 3.39Å; V163-Y171 HydrophobicContact CG2-CD2 4.11Å
172D94Very high89.9Confident21 Ų2163.5 Ų63.511%0.11233%0.333CS..EExtended strand (participates in β ladder)trans-154.4168.4177.4-165.715.3000110.5I94 K95 A161 G162 W174I94-D172 WeakPolarHBondContact CG2-OD1 3.22Å; K95-D172 WeakPolarHBondContact CE-OD1 3.35Å; K95-D172 IonicContact NZ-OD1 3.69Å; K95-D172 PolarHBondContact NZ-OD1 2.68Å; K95-D172 IonicContact NZ-OD2 3.5Å; K95-D172 PolarHBondContact NZ-OD2 2.76Å; A161-D172 WeakPolarHBondContact CA-O 3.42Å; G162-D172 PolarHBondContact N-O 3.38Å; G162-D172 PolarHBondContact O-N 3.25Å; D172-W174 HydrophobicContact CB-CH2 3.62Å; D172-W174 HydrophobicContact CB-CZ2 3.56Å; D172-W174 HydrophobicContact CB-CZ3 4.28Å; D172-W174 WeakPolarHBondContact O-CZ3 3.44Å
173I95.6Very high90.1Very high3 Ų368.1 Ų68.12%0.01535%0.349CS..EExtended strand (participates in β ladder)trans-121.3136.2176.759.8170.2000111V44 I94 M102 A104 L107 V160 A161 V178V44-I173 HydrophobicContact CG1-CD1 4.35Å; V44-I173 HydrophobicContact CG2-CD1 3.9Å; I94-I173 HydrophobicContact CD1-CD1 4.29Å; I94-I173 HydrophobicContact CD1-CG1 4.37Å; I94-I173 HydrophobicContact CD1-CG2 4.21Å; I94-I173 HydrophobicContact CG1-CD1 4.14Å; I94-I173 HydrophobicContact CG1-CG1 4.27Å; I94-I173 HydrophobicContact CG2-CG1 4.4Å; M102-I173 HydrophobicContact CE-CD1 3.82Å; M102-I173 HydrophobicContact CE-CG1 3.56Å; A104-I173 HydrophobicContact CB-CD1 3.83Å; L107-I173 HydrophobicContact CD1-CG2 4.01Å; L107-I173 HydrophobicContact CD2-CG2 4.12Å; V160-I173 CarbonylContact O-C 3.58Å; V160-I173 WeakPolarHBondContact O-CA 3.21Å; A161-I173 HydrophobicContact CB-CG2 3.8Å; I173-V178 HydrophobicContact CB-CG2 4.48Å; I173-V178 HydrophobicContact CD1-CG2 3.88Å; I173-V178 HydrophobicContact CG1-CG2 3.87Å
174W95.8Very high90.6Very high98 Ų9867.5 Ų67.537%0.37135%0.346SS..EExtended strand (participates in β ladder)trans-121.3149.3179.3-60-85.8000111.2V159 V160 I164 D172V159-W174 CarbonylContact C-O 3.59Å; V159-W174 WeakPolarHBondContact CA-O 3.4Å; V160-W174 PolarHBondContact N-O 3.41Å; V160-W174 PolarHBondContact O-N 2.62Å; I164-W174 HydrophobicContact CD1-CH2 3.42Å; I164-W174 VanDerWaalsContact CD1-CH2 3.42Å; I164-W174 HydrophobicContact CD1-CZ2 3.33Å; I164-W174 HydrophobicContact CD1-CZ3 4.28Å; I164-W174 HydrophobicContact CG1-CH2 3.65Å; I164-W174 HydrophobicContact CG1-CZ2 4.02Å; D172-W174 HydrophobicContact CB-CH2 3.62Å; D172-W174 HydrophobicContact CB-CZ2 3.56Å; D172-W174 HydrophobicContact CB-CZ3 4.28Å; D172-W174 WeakPolarHBondContact O-CZ3 3.44Å
175G95.1Very high91.1Very high29 Ų2963.4 Ų63.430%0.29933%0.325SS..SBendtrans151.2162.5173.500000112T177 V178 N179G175-T177 PolarHBondContact O-N 3.09Å; G175-V178 PolarHBondContact O-N 2.54Å; G175-V178 VanDerWaalsContact O-N 3.13Å; G175-N179 PolarHBondContact O-N 2.86Å
176N95.3Very high91.9Very high80 Ų8063.8 Ų63.843%0.42832%0.32SS..Hα-helixtrans-59.1-29.5175.5177.276.9000112V178 N179 V180 K221N176-V178 VanDerWaalsContact C-N 3.34Å; N176-V178 PolarHBondContact O-N 3.18Å; N176-N179 PolarHBondContact O-N 3.06Å; N176-V180 WeakPolarHBondContact O-CG2 3.41Å; N176-V180 PolarHBondContact O-N 3.42Å; N176-K221 VanDerWaalsContact CG-CE 3.49Å; N176-K221 WeakPolarHBondContact ND2-CE 3.31Å; N176-K221 PolarHBondContact ND2-NZ 3.27Å; N176-K221 VanDerWaalsContact ND2-NZ 3.11Å; N176-K221 VanDerWaalsContact OD1-CE 3.26Å; N176-K221 WeakPolarHBondContact OD1-CE 3.26Å
177T96.8Very high93.1Very high7 Ų760.3 Ų60.34%0.04329%0.288CS..Hα-helixtrans-56.8-45.2175.3-55.60000112.3V44 N155 G157 P158 V159 G175 V180 A181V44-T177 HydrophobicContact CG2-CG2 4.13Å; N155-T177 PolarHBondContact ND2-O 3.41Å; N155-T177 VanDerWaalsContact ND2-O 3.15Å; G157-T177 VanDerWaalsContact C-OG1 3.22Å; G157-T177 WeakPolarHBondContact CA-OG1 3.36Å; G157-T177 VanDerWaalsContact N-CG2 3.31Å; P158-T177 WeakPolarHBondContact O-CB 3.47Å; P158-T177 PolarHBondContact O-OG1 3.16Å; V159-T177 HydrophobicContact CG1-CG2 4.16Å; G175-T177 PolarHBondContact O-N 3.09Å; T177-V180 PolarHBondContact O-N 3.42Å; T177-A181 PolarHBondContact O-N 3.2Å
178V97.3Very high94.1Very high13 Ų1349.3 Ų49.38%0.07925%0.25CC..Hα-helixtrans-65.4-44.7179-177.80000110.3V44 F46 M102 V159 I173 G175 N176 V180 A181 S182V44-V178 HydrophobicContact CG2-CG2 4.35Å; F46-V178 HydrophobicContact CE2-CG1 3.96Å; F46-V178 HydrophobicContact CZ-CG1 3.85Å; M102-V178 HydrophobicContact CE-CG1 3.64Å; V159-V178 HydrophobicContact CG1-CG2 3.99Å; I173-V178 HydrophobicContact CB-CG2 4.48Å; I173-V178 HydrophobicContact CD1-CG2 3.88Å; I173-V178 HydrophobicContact CG1-CG2 3.87Å; G175-V178 PolarHBondContact O-N 2.54Å; G175-V178 VanDerWaalsContact O-N 3.13Å; N176-V178 VanDerWaalsContact C-N 3.34Å; N176-V178 PolarHBondContact O-N 3.18Å; V178-V180 PolarHBondContact O-N 3.42Å; V178-A181 PolarHBondContact O-N 3.37Å; V178-S182 PolarHBondContact O-N 2.81Å
179N96.9Very high94.9Very high103 Ų10342.1 Ų42.155%0.55123%0.229SC*.Hα-helixtrans-60.6-44.7177.1-67.5-24.9000111.5G175 N176 S182 R183G175-N179 PolarHBondContact O-N 2.86Å; N176-N179 PolarHBondContact O-N 3.06Å; N179-S182 PolarHBondContact O-N 2.83Å; N179-R183 VanDerWaalsContact O-CG 3.28Å; N179-R183 WeakPolarHBondContact O-CG 3.47Å; N179-R183 PolarHBondContact O-N 2.94Å
180V97.6Very high95.6Very high6 Ų643.4 Ų43.44%0.03623%0.23CC..Hα-helixtrans-65.2-41.4177.3173.10000111.1N155 N176 T177 V178 S182 R183 M184 T196 K221 M224N155-V180 HydrophobicContact CB-CG1 4.17Å; N176-V180 WeakPolarHBondContact O-CG2 3.41Å; N176-V180 PolarHBondContact O-N 3.42Å; T177-V180 PolarHBondContact O-N 3.42Å; V178-V180 PolarHBondContact O-N 3.42Å; V180-S182 PolarHBondContact O-N 2.84Å; V180-R183 CarbonylContact O-C 3.5Å; V180-R183 WeakPolarHBondContact O-CA 3.47Å; V180-R183 WeakPolarHBondContact O-CB 3.46Å; V180-R183 PolarHBondContact O-N 2.81Å; V180-M184 WeakPolarHBondContact O-CG 3.47Å; V180-M184 PolarHBondContact O-N 3.28Å; V180-T196 HydrophobicContact CG1-CG2 3.68Å; V180-K221 HydrophobicContact CG2-CG 4.19Å; V180-M224 HydrophobicContact CG1-CE 4.1Å; V180-M224 HydrophobicContact CG1-SD 4.37Å
181A97.9Very high96.1Very high0 Ų037.3 Ų37.30%020%0.204CC..Hα-helixtrans-58.5-46.4174.900000111.8V44 F46 N155 T177 V178 R183 M184 D185V44-A181 HydrophobicContact CB-CB 3.97Å; V44-A181 HydrophobicContact CG1-CB 3.85Å; F46-A181 HydrophobicContact CD2-CB 3.74Å; F46-A181 HydrophobicContact CE2-CB 3.94Å; N155-A181 HydrophobicContact CB-CB 3.85Å; T177-A181 PolarHBondContact O-N 3.2Å; V178-A181 PolarHBondContact O-N 3.37Å; A181-R183 PolarHBondContact O-N 3.18Å; A181-M184 WeakPolarHBondContact O-CB 3.36Å; A181-M184 PolarHBondContact O-N 2.87Å; A181-D185 PolarHBondContact O-N 3.43Å; A181-D185 VanDerWaalsContact O-N 3.09Å
182S97.6Very high96.4Very high39 Ų3939.7 Ų39.727%0.27321%0.212SC..Hα-helixtrans-60.7-31.7174.41750000112.6V178 N179 V180 S186V178-S182 PolarHBondContact O-N 2.81Å; N179-S182 PolarHBondContact O-N 2.83Å; V180-S182 PolarHBondContact O-N 2.84Å; S182-S186 WeakPolarHBondContact O-CB 3.32Å; S182-S186 PolarHBondContact O-N 3.05Å; S182-S186 PolarHBondContact O-OG 3.15Å
183R97.3Very high96.6Very high99 Ų9938.7 Ų38.737%0.37421%0.207SC..Hα-helixtrans-73.7-34.4172.5-63.3-62.1175-157.4-6.4112.9N179 V180 A181 D185 S186 T187 V218N179-R183 VanDerWaalsContact O-CG 3.28Å; N179-R183 WeakPolarHBondContact O-CG 3.47Å; N179-R183 PolarHBondContact O-N 2.94Å; V180-R183 CarbonylContact O-C 3.5Å; V180-R183 WeakPolarHBondContact O-CA 3.47Å; V180-R183 WeakPolarHBondContact O-CB 3.46Å; V180-R183 PolarHBondContact O-N 2.81Å; A181-R183 PolarHBondContact O-N 3.18Å; R183-D185 PolarHBondContact O-N 3.16Å; R183-S186 WeakPolarHBondContact CA-OG 3.48Å; R183-T187 WeakPolarHBondContact O-CB 3.36Å; R183-T187 WeakPolarHBondContact O-CG2 3.27Å; R183-T187 PolarHBondContact O-N 3.05Å; R183-T187 PolarHBondContact O-OG1 2.87Å; R183-V218 HydrophobicContact CB-CG1 3.87Å; R183-V218 HydrophobicContact CG-CG1 3.94Å
184M97.9Very high96.8Very high0 Ų038.5 Ų38.50%021%0.206CC..Hα-helixtrans-63.1-34.9173-64.8-57.492.700111.5V180 A181 G188 Q194 T196 V218 T226V180-M184 WeakPolarHBondContact O-CG 3.47Å; V180-M184 PolarHBondContact O-N 3.28Å; A181-M184 WeakPolarHBondContact O-CB 3.36Å; A181-M184 PolarHBondContact O-N 2.87Å; M184-G188 WeakPolarHBondContact O-CA 3.39Å; M184-G188 PolarHBondContact O-N 3.45Å; M184-Q194 HydrophobicContact CB-CG 4.2Å; M184-Q194 HydrophobicContact SD-CG 3.93Å; M184-Q194 PolarHBondContact SD-NE2 3.42Å; M184-T196 HydrophobicContact CG-CG2 3.7Å; M184-T196 HydrophobicContact SD-CG2 3.66Å; M184-V218 HydrophobicContact CE-CG2 3.71Å; M184-T226 HydrophobicContact CE-CG2 4.04Å; M184-T226 HydrophobicContact SD-CG2 3.71Å
185D97.6Very high96.9Very high8 Ų833.9 Ų33.94%0.04319%0.188CC..Hα-helixtrans-72.1-59.2172.2169.556.8000111F46 S48 R151 A181 R183 T187 G188F46-D185 HydrophobicContact CB-CB 3.64Å; S48-D185 WeakPolarHBondContact CB-OD1 3.22Å; S48-D185 VanDerWaalsContact OG-CG 3.26Å; S48-D185 PolarHBondContact OG-OD1 3.04Å; S48-D185 PolarHBondContact OG-OD2 2.81Å; R151-D185 WeakPolarHBondContact CD-O 3.43Å; R151-D185 IonicContact CZ-OD1 3.74Å; R151-D185 PolarHBondContact NE-O 2.75Å; R151-D185 IonicContact NE-OD1 3.67Å; R151-D185 PolarHBondContact NE-OD1 3Å; R151-D185 PolarHBondContact NH1-O 2.94Å; R151-D185 IonicContact NH2-OD1 3.36Å; R151-D185 IonicContact NH2-OD2 2.81Å; A181-D185 PolarHBondContact O-N 3.43Å; A181-D185 VanDerWaalsContact O-N 3.09Å; R183-D185 PolarHBondContact O-N 3.16Å; D185-T187 VanDerWaalsContact C-N 3.28Å; D185-T187 PolarHBondContact O-N 2.92Å; D185-T187 VanDerWaalsContact O-N 3.15Å; D185-G188 WeakPolarHBondContact O-CA 3.09Å; D185-G188 PolarHBondContact O-N 3.32Å
186S95.9Very high97Very high50 Ų5032.6 Ų32.635%0.3518%0.175SC..Hα-helixtrans-61.7-29.6-174.151.30000115R151 S182 R183R151-S186 PolarHBondContact NH1-O 3.15Å; S182-S186 WeakPolarHBondContact O-CB 3.32Å; S182-S186 PolarHBondContact O-N 3.05Å; S182-S186 PolarHBondContact O-OG 3.15Å; R183-S186 WeakPolarHBondContact CA-OG 3.48Å
187T96.3Very high97.1Very high39 Ų3933 Ų3324%0.23917%0.174CC..THydrogen-bonded Turntrans-91.6-4172.767.10000113.3R183 D185 Q194 R213 V216R183-T187 WeakPolarHBondContact O-CB 3.36Å; R183-T187 WeakPolarHBondContact O-CG2 3.27Å; R183-T187 PolarHBondContact O-N 3.05Å; R183-T187 PolarHBondContact O-OG1 2.87Å; D185-T187 VanDerWaalsContact C-N 3.28Å; D185-T187 PolarHBondContact O-N 2.92Å; D185-T187 VanDerWaalsContact O-N 3.15Å; T187-Q194 PolarHBondContact OG1-NE2 2.95Å; T187-R213 VanDerWaalsContact O-CZ 3.23Å; T187-R213 PolarHBondContact O-NH1 3.39Å; T187-R213 PolarHBondContact O-NH2 2.8Å; T187-V216 HydrophobicContact CG2-CG1 4.15Å
188G94.6Very high97.1Very high12 Ų1235.6 Ų35.612%0.12419%0.186CC..SBendtrans-62.8156.817800000113.5R151 M184 D185 Q194R151-G188 VanDerWaalsContact CD-O 3.31Å; R151-G188 WeakPolarHBondContact CD-O 3.25Å; M184-G188 WeakPolarHBondContact O-CA 3.39Å; M184-G188 PolarHBondContact O-N 3.45Å; D185-G188 WeakPolarHBondContact O-CA 3.09Å; D185-G188 PolarHBondContact O-N 3.32Å; G188-Q194 VanDerWaalsContact CA-OE1 3.3Å
189V96.2Very high97.1Very high61 Ų6135 Ų3537%0.3718%0.183SC..PPolyproline II helixtrans-91.4137.4170.8177.90000108.2R192 F228V189-R192 PolarHBondContact O-N 3.07Å; V189-F228 HydrophobicContact CB-CE1 4.31Å; V189-F228 HydrophobicContact CB-CZ 4.15Å; V189-F228 HydrophobicContact CG2-CE1 4.33Å; V189-F228 HydrophobicContact CG2-CZ 3.79Å
190Q95.9Very high97.1Very high92 Ų9232.1 Ų32.143%0.4317%0.166SC..THydrogen-bonded Turntrans-56.1140.4174.6-63.6-175.48.600110.6P50 V149 R192P50-Q190 HydrophobicContact CB-CG 4.38Å; P50-Q190 HydrophobicContact CG-CG 4.12Å; V149-Q190 HydrophobicContact CB-CB 4.42Å; V149-Q190 HydrophobicContact CG1-CB 3.73Å; Q190-R192 VanDerWaalsContact C-N 3.29Å; Q190-R192 PolarHBondContact O-N 2.89Å
191G96.1Very high97Very high7 Ų737 Ų377%0.07218%0.184CC..THydrogen-bonded Turntrans82.33.5-179.100000113.9L150 L245L150-G191 VanDerWaalsContact O-CA 3.3Å; L150-G191 WeakPolarHBondContact O-CA 3.48Å; L150-G191 PolarHBondContact O-N 3Å; G191-L245 WeakPolarHBondContact O-CD1 3.46Å
192R97.3Very high96.9Very high66 Ų6639.2 Ų39.225%0.24920%0.195CC..  trans-130.2153.2-175.3-60.3-167.7177.2-112.9-1.4112.8V152 V189 Q190 F228 E230 L245V152-R192 PolarHBondContact N-O 2.82Å; V152-R192 VanDerWaalsContact N-O 3.16Å; V189-R192 PolarHBondContact O-N 3.07Å; Q190-R192 VanDerWaalsContact C-N 3.29Å; Q190-R192 PolarHBondContact O-N 2.89Å; R192-F228 HydrophobicContact CB-CD1 3.82Å; R192-F228 HydrophobicContact CB-CE1 4.02Å; R192-E230 IonicContact CZ-OE1 2.6Å; R192-E230 IonicContact NH1-OE1 2.69Å; R192-E230 PolarHBondContact NH1-OE1 3.41Å; R192-L245 HydrophobicContact CG-CD1 3.68Å
193I98.4Very high96.7Very high0 Ų037.4 Ų37.40%018%0.182CC..EExtended strand (participates in β ladder)trans-98.6113.2170.6-55.1168.9000108.1A130 I131 F134 V152 I154 V195 F228 L229 L243A130-I193 HydrophobicContact CB-CD1 3.91Å; I131-I193 HydrophobicContact CG1-CD1 3.77Å; F134-I193 HydrophobicContact CD2-CD1 4.46Å; F134-I193 HydrophobicContact CE2-CD1 3.9Å; F134-I193 HydrophobicContact CE2-CG1 3.51Å; F134-I193 HydrophobicContact CZ-CG1 4.03Å; V152-I193 HydrophobicContact CB-CB 4.32Å; V152-I193 HydrophobicContact CB-CG1 4.01Å; V152-I193 HydrophobicContact CB-CG2 4.13Å; V152-I193 HydrophobicContact CG1-CG2 4.16Å; V152-I193 HydrophobicContact CG2-CG1 4.29Å; V152-I193 CarbonylContact O-C 3.57Å; V152-I193 WeakPolarHBondContact O-CA 3.35Å; I154-I193 HydrophobicContact CD1-CG2 3.71Å; I154-I193 HydrophobicContact CG1-CG2 4.14Å; I193-V195 HydrophobicContact CG2-CG1 4.11Å; I193-F228 CarbonylContact O-C 3.54Å; I193-F228 VanDerWaalsContact O-CA 3.25Å; I193-F228 WeakPolarHBondContact O-CA 3.23Å; I193-L229 HydrophobicContact CB-CB 4.07Å; I193-L229 HydrophobicContact CD1-CD2 4.12Å; I193-L229 HydrophobicContact CD1-CG 4.42Å; I193-L229 HydrophobicContact CG2-CB 4.08Å; I193-L229 HydrophobicContact CG2-CD2 4.21Å; I193-L229 PolarHBondContact O-N 2.8Å; I193-L243 HydrophobicContact CB-CD1 4.37Å; I193-L243 HydrophobicContact CD1-CD1 3.84Å; I193-L243 HydrophobicContact CD1-CD2 4.16Å; I193-L243 HydrophobicContact CG1-CD1 3.8Å
194Q98.5Very high96.3Very high0 Ų040 Ų400%019%0.192CC..EExtended strand (participates in β ladder)trans-95134173.8178.2171.2-38.300111.1V152 G153 I154 M184 T187 G188 Y227 F228V152-Q194 PolarHBondContact O-N 3.01Å; G153-Q194 CarbonylContact C-O 3.58Å; G153-Q194 WeakPolarHBondContact CA-O 3.36Å; I154-Q194 PolarHBondContact N-O 3.44Å; M184-Q194 HydrophobicContact CB-CG 4.2Å; M184-Q194 HydrophobicContact SD-CG 3.93Å; M184-Q194 PolarHBondContact SD-NE2 3.42Å; T187-Q194 PolarHBondContact OG1-NE2 2.95Å; G188-Q194 VanDerWaalsContact CA-OE1 3.3Å; Q194-Y227 WeakPolarHBondContact CA-O 3.45Å; Q194-F228 HydrophobicContact CB-CD1 4.32Å; Q194-F228 HydrophobicContact CB-CE1 4.32Å
195V98.3Very high95.8Very high0 Ų050.2 Ų50.20%023%0.231CC..EExtended strand (participates in β ladder)trans-128.3154.5178.7-48.80000111.4I154 I193 V199 H200 F210 Y227 L229I154-V195 HydrophobicContact CB-CG1 4.06Å; I154-V195 HydrophobicContact CD1-CG1 4.42Å; I154-V195 WeakPolarHBondContact O-CA 3.12Å; I193-V195 HydrophobicContact CG2-CG1 4.11Å; V195-V199 HydrophobicContact CB-CB 3.97Å; V195-V199 HydrophobicContact CB-CG1 3.84Å; V195-V199 HydrophobicContact CG1-CG1 4.09Å; V195-V199 HydrophobicContact CG2-CB 4.37Å; V195-V199 HydrophobicContact CG2-CG1 4.27Å; V195-H200 HydrophobicContact CG2-CB 4.43Å; V195-F210 HydrophobicContact CG2-CD1 4.04Å; V195-F210 HydrophobicContact CG2-CE1 3.8Å; V195-Y227 PolarHBondContact N-O 2.9Å; V195-Y227 PolarHBondContact O-N 2.96Å; V195-L229 HydrophobicContact CG1-CB 4.22Å
196T97.8Very high95.4Very high3 Ų351.5 Ų51.52%0.01824%0.24CC..EExtended strand (participates in β ladder)trans-74.2160.1170.659.80000111.9I154 N155 V180 M184 E198 V199 H200 M224I154-T196 PolarHBondContact O-N 2.83Å; N155-T196 HydrophobicContact CB-CG2 3.95Å; N155-T196 WeakPolarHBondContact OD1-CB 3.39Å; N155-T196 WeakPolarHBondContact OD1-CG2 3.38Å; N155-T196 PolarHBondContact OD1-OG1 3Å; V180-T196 HydrophobicContact CG1-CG2 3.68Å; M184-T196 HydrophobicContact CG-CG2 3.7Å; M184-T196 HydrophobicContact SD-CG2 3.66Å; T196-E198 PolarHBondContact O-N 2.82Å; T196-V199 PolarHBondContact O-N 3.45Å; T196-V199 VanDerWaalsContact O-N 3.15Å; T196-H200 PolarHBondContact O-N 2.87Å; T196-H200 VanDerWaalsContact O-N 3.1Å; T196-M224 HydrophobicContact CG2-CE 4.3Å
197E97.1Very high95.2Very high88 Ų8852.1 Ų52.141%0.41124%0.243SC..Hα-helixtrans-54.4-35.3174-178.5-180-173.800113.3H200 R201 L225 Y227E197-H200 PolarHBondContact O-N 3Å; E197-R201 WeakPolarHBondContact O-CB 3.48Å; E197-R201 PolarHBondContact O-N 3.15Å; E197-L225 PolarHBondContact N-O 3.39Å; E197-Y227 HydrophobicContact CB-CE2 4.07Å; E197-Y227 HydrophobicContact CG-CE2 4.13Å
198E96.5Very high95.1Very high61 Ų6151 Ų5129%0.28523%0.234SC..Hα-helixtrans-63.3-45.9177.5-172.665.4-128.300111.6V156 T196 H200 R201 L202V156-E198 HydrophobicContact CG1-CB 4.04Å; V156-E198 HydrophobicContact CG1-CG 3.49Å; V156-E198 VanDerWaalsContact CG1-CG 3.49Å; T196-E198 PolarHBondContact O-N 2.82Å; E198-H200 VanDerWaalsContact C-N 3.34Å; E198-H200 PolarHBondContact O-N 2.61Å; E198-R201 PolarHBondContact O-N 2.97Å; E198-R201 IonicContact OE1-CZ 3.04Å; E198-R201 IonicContact OE1-NH1 2.81Å; E198-R201 PolarHBondContact OE1-NH1 3.22Å; E198-R201 IonicContact OE1-NH2 2.65Å; E198-R201 IonicContact OE2-CZ 3.61Å; E198-R201 IonicContact OE2-NH1 3.55Å; E198-R201 PolarHBondContact OE2-NH1 3.45Å; E198-R201 IonicContact OE2-NH2 3.79Å; E198-R201 PolarHBondContact OE2-NH2 3.24Å; E198-L202 HydrophobicContact CG-CD1 4.32Å; E198-L202 WeakPolarHBondContact O-CG 3.44Å; E198-L202 PolarHBondContact O-N 3.15Å
199V97.3Very high95Very high2 Ų253.8 Ų53.81%0.01224%0.244CC..Hα-helixtrans-61-46.3176.61740000110.2I154 V156 V195 T196 R201 L202 L203I154-V199 HydrophobicContact CG2-CG1 4.41Å; I154-V199 HydrophobicContact CG2-CG2 4.28Å; V156-V199 HydrophobicContact CB-CG2 4.15Å; V156-V199 HydrophobicContact CG1-CG2 3.85Å; V195-V199 HydrophobicContact CB-CB 3.97Å; V195-V199 HydrophobicContact CB-CG1 3.84Å; V195-V199 HydrophobicContact CG1-CG1 4.09Å; V195-V199 HydrophobicContact CG2-CB 4.37Å; V195-V199 HydrophobicContact CG2-CG1 4.27Å; T196-V199 PolarHBondContact O-N 3.45Å; T196-V199 VanDerWaalsContact O-N 3.15Å; V199-R201 VanDerWaalsContact C-N 3.33Å; V199-R201 PolarHBondContact O-N 3.49Å; V199-L202 PolarHBondContact O-N 3.15Å; V199-L203 HydrophobicContact CG1-CD1 3.87Å; V199-L203 HydrophobicContact CG1-CG 4.43Å; V199-L203 WeakPolarHBondContact O-CB 3.16Å; V199-L203 PolarHBondContact O-N 2.98Å
200H96.8Very high95Very high42 Ų4252.2 Ų52.219%0.19423%0.232CC..Hα-helixtrans-56.7-45.5174.3168.4-116.3000111.6V195 T196 E197 E198 L202 L203 R204 F210 Y227V195-H200 HydrophobicContact CG2-CB 4.43Å; T196-H200 PolarHBondContact O-N 2.87Å; T196-H200 VanDerWaalsContact O-N 3.1Å; E197-H200 PolarHBondContact O-N 3Å; E198-H200 VanDerWaalsContact C-N 3.34Å; E198-H200 PolarHBondContact O-N 2.61Å; H200-L202 VanDerWaalsContact C-N 3.32Å; H200-L202 PolarHBondContact O-N 3.24Å; H200-L203 PolarHBondContact O-N 2.97Å; H200-R204 WeakPolarHBondContact O-CB 2.96Å; H200-R204 PolarHBondContact O-N 3.36Å; H200-F210 AromaticContact CD2-CD2 3.65Å; H200-F210 AromaticContact CD2-CG 3.56Å; H200-Y227 HydrophobicContact CB-CD2 3.75Å; H200-Y227 HydrophobicContact CB-CE2 4.16Å; H200-Y227 HydrophobicContact CB-CG 4Å; H200-Y227 AromaticContact CE1-CE1 3.7Å; H200-Y227 AromaticContact CE1-CZ 3.83Å; H200-Y227 AromaticContact CG-CD2 3.93Å; H200-Y227 AromaticContact CG-CG 3.94Å; H200-Y227 AromaticContact ND1-CD2 4Å; H200-Y227 AromaticContact ND1-CE1 3.66Å; H200-Y227 AromaticContact ND1-CE2 3.62Å; H200-Y227 AromaticContact ND1-CZ 3.44Å
201R96.1Very high95Very high109 Ų10950.2 Ų50.241%0.41123%0.226SC..Hα-helixtrans-61.9-37.8179.7-163.9-166.9-38133.910.1113E197 E198 V199 R204E197-R201 WeakPolarHBondContact O-CB 3.48Å; E197-R201 PolarHBondContact O-N 3.15Å; E198-R201 PolarHBondContact O-N 2.97Å; E198-R201 IonicContact OE1-CZ 3.04Å; E198-R201 IonicContact OE1-NH1 2.81Å; E198-R201 PolarHBondContact OE1-NH1 3.22Å; E198-R201 IonicContact OE1-NH2 2.65Å; E198-R201 IonicContact OE2-CZ 3.61Å; E198-R201 IonicContact OE2-NH1 3.55Å; E198-R201 PolarHBondContact OE2-NH1 3.45Å; E198-R201 IonicContact OE2-NH2 3.79Å; E198-R201 PolarHBondContact OE2-NH2 3.24Å; V199-R201 VanDerWaalsContact C-N 3.33Å; V199-R201 PolarHBondContact O-N 3.49Å; R201-R204 WeakPolarHBondContact O-CG 3.46Å
202L94.8Very high95Very high45 Ų4553.6 Ų53.624%0.23625%0.248CC..Hα-helixtrans-75.2-33.4179.1-69171.5000112.3I119 L123 V156 E198 V199 H200I119-L202 HydrophobicContact CG1-CD1 4.45Å; I119-L202 HydrophobicContact CG2-CD1 4.41Å; I119-L202 HydrophobicContact CG2-CD2 4.32Å; L123-L202 HydrophobicContact CD1-CB 3.98Å; L123-L202 HydrophobicContact CD1-CD1 3.51Å; L123-L202 HydrophobicContact CD1-CG 4.41Å; V156-L202 HydrophobicContact CG1-CD1 3.87Å; V156-L202 HydrophobicContact CG2-CD1 4.45Å; E198-L202 HydrophobicContact CG-CD1 4.32Å; E198-L202 WeakPolarHBondContact O-CG 3.44Å; E198-L202 PolarHBondContact O-N 3.15Å; V199-L202 PolarHBondContact O-N 3.15Å; H200-L202 VanDerWaalsContact C-N 3.32Å; H200-L202 PolarHBondContact O-N 3.24Å
203L94.4Very high94.9Very high1 Ų154.3 Ų54.31%0.00525%0.25CS..Hα-helixtrans-96.7-8.2-177.5-65.7-175.5000114.6L123 A127 V199 H200 R205 C206 Y208 F210L123-L203 HydrophobicContact CB-CD1 4.25Å; L123-L203 HydrophobicContact CB-CD2 3.8Å; L123-L203 HydrophobicContact CB-CG 4.18Å; A127-L203 HydrophobicContact CB-CD1 4.09Å; V199-L203 HydrophobicContact CG1-CD1 3.87Å; V199-L203 HydrophobicContact CG1-CG 4.43Å; V199-L203 WeakPolarHBondContact O-CB 3.16Å; V199-L203 PolarHBondContact O-N 2.98Å; H200-L203 PolarHBondContact O-N 2.97Å; L203-R205 PolarHBondContact O-N 3.5Å; L203-C206 WeakPolarHBondContact O-CA 3.45Å; L203-C206 VanDerWaalsContact O-CB 3.28Å; L203-C206 WeakPolarHBondContact O-CB 3.41Å; L203-C206 PolarHBondContact O-N 3.04Å; L203-Y208 HydrophobicContact CB-CD2 4.13Å; L203-Y208 HydrophobicContact CD1-CD2 4.38Å; L203-Y208 HydrophobicContact CD1-CE2 4.4Å; L203-Y208 HydrophobicContact CD2-CD2 4.47Å; L203-Y208 HydrophobicContact CD2-CE2 4.16Å; L203-F210 HydrophobicContact CB-CE2 3.88Å; L203-F210 HydrophobicContact CB-CZ 3.67Å; L203-F210 HydrophobicContact CD1-CZ 4.08Å
204R88.9Confident94.8Very high153 Ų15355.3 Ų55.358%0.57726%0.261SS*.THydrogen-bonded Turntrans-59.8-18.8-179.873.6-174.8176158.71.2114.9H200 R201H200-R204 WeakPolarHBondContact O-CB 2.96Å; H200-R204 PolarHBondContact O-N 3.36Å; R201-R204 WeakPolarHBondContact O-CG 3.46Å
205R86.5Confident94.6Very high216 Ų21663 Ų6382%0.81529%0.294SS*.THydrogen-bonded Turntrans-94.2-3.6176.8-66.7-174.7174.6174.9-1.6112.7L203L203-R205 PolarHBondContact O-N 3.5Å
206C88.8Confident94.5Very high35 Ų3563.7 Ų63.724%0.23630%0.298CS..SBendtrans-98162.8176.8-62.10000109.4L203 Y208L203-C206 WeakPolarHBondContact O-CA 3.45Å; L203-C206 VanDerWaalsContact O-CB 3.28Å; L203-C206 WeakPolarHBondContact O-CB 3.41Å; L203-C206 PolarHBondContact O-N 3.04Å; C206-Y208 HydrophobicContact CB-CD2 3.53Å; C206-Y208 HydrophobicContact CB-CE2 3.62Å; C206-Y208 PolarHBondContact O-N 2.59Å
207P92.3Very high94.3Very high63 Ų6367.3 Ų67.341%0.40932%0.324SS..SBendtrans-77.664.3-175.333.8-37.2000111.6R232 T233P207-R232 CarbonylContact O-C 3.47Å; P207-R232 VanDerWaalsContact O-CA 3.24Å; P207-R232 WeakPolarHBondContact O-CA 3.45Å; P207-T233 PolarHBondContact O-N 3.5Å
208Y93.9Very high94.1Very high16 Ų1663.3 Ų63.36%0.06331%0.305CS..EExtended strand (participates in β ladder)trans-123.8144.1178.6-65.6-65.5000111.2S124 A127 D128 I131 L203 C206 F210 L229 G231 R232S124-Y208 VanDerWaalsContact CA-OH 3.3Å; S124-Y208 WeakPolarHBondContact CA-OH 3.26Å; S124-Y208 WeakPolarHBondContact CB-OH 3.35Å; S124-Y208 PolarHBondContact O-OH 3.4Å; A127-Y208 HydrophobicContact CB-CE1 4.11Å; D128-Y208 VanDerWaalsContact OD1-CE1 3.23Å; D128-Y208 WeakPolarHBondContact OD1-CE1 3.33Å; D128-Y208 PolarHBondContact OD1-OH 2.82Å; D128-Y208 PolarHBondContact OD2-OH 3.07Å; I131-Y208 HydrophobicContact CD1-CD1 4.41Å; I131-Y208 HydrophobicContact CD1-CE1 4.24Å; L203-Y208 HydrophobicContact CB-CD2 4.13Å; L203-Y208 HydrophobicContact CD1-CD2 4.38Å; L203-Y208 HydrophobicContact CD1-CE2 4.4Å; L203-Y208 HydrophobicContact CD2-CD2 4.47Å; L203-Y208 HydrophobicContact CD2-CE2 4.16Å; C206-Y208 HydrophobicContact CB-CD2 3.53Å; C206-Y208 HydrophobicContact CB-CE2 3.62Å; C206-Y208 PolarHBondContact O-N 2.59Å; Y208-F210 VanDerWaalsContact CB-CE2 3.48Å; Y208-F210 HydrophobicContact CG-CE2 4.39Å; Y208-L229 HydrophobicContact CD1-CD1 3.84Å; Y208-L229 HydrophobicContact CG-CD1 4Å; Y208-G231 WeakPolarHBondContact CA-O 3.24Å; Y208-R232 HydrophobicContact CD1-CG 4.1Å; Y208-R232 HydrophobicContact CE1-CG 3.9Å
209H93.4Very high93.7Very high69 Ų6968.8 Ų68.832%0.31933%0.328SS..EExtended strand (participates in β ladder)trans-96.9122.9172.5-17059.3000110.3E230 G231 T233H209-E230 IonicContact CD2-OE2 3.71Å; H209-E230 PolarHBondContact CD2-OE2 3.29Å; H209-E230 IonicContact NE2-OE2 3.81Å; H209-E230 PolarHBondContact O-N 3.41Å; H209-G231 PolarHBondContact N-O 3.06Å; H209-T233 PolarHBondContact N-OG1 2.93Å
210F95.3Very high93.2Very high28 Ų2872.6 Ų72.612%0.12337%0.368CS..EExtended strand (participates in β ladder)trans-118.6136.8176.6-66.5-86.2000110.9V195 H200 L203 Y208 F228 L229V195-F210 HydrophobicContact CG2-CD1 4.04Å; V195-F210 HydrophobicContact CG2-CE1 3.8Å; H200-F210 AromaticContact CD2-CD2 3.65Å; H200-F210 AromaticContact CD2-CG 3.56Å; L203-F210 HydrophobicContact CB-CE2 3.88Å; L203-F210 HydrophobicContact CB-CZ 3.67Å; L203-F210 HydrophobicContact CD1-CZ 4.08Å; Y208-F210 VanDerWaalsContact CB-CE2 3.48Å; Y208-F210 HydrophobicContact CG-CE2 4.39Å; F210-F228 CarbonylContact C-O 3.55Å; F210-F228 VanDerWaalsContact CA-O 3.22Å; F210-F228 WeakPolarHBondContact CA-O 3.31Å; F210-L229 HydrophobicContact CD1-CB 4.06Å; F210-L229 HydrophobicContact CD1-CD1 4.21Å; F210-L229 HydrophobicContact CE1-CB 3.78Å; F210-L229 HydrophobicContact CE1-CD1 3.74Å; F210-L229 HydrophobicContact CE1-CG 4.28Å; F210-L229 HydrophobicContact CE2-CD1 4.37Å; F210-L229 HydrophobicContact CZ-CD1 3.82Å
211V96.1Very high92.9Very high50 Ų5075.6 Ų75.630%0.30338%0.38SS..EExtended strand (participates in β ladder)trans-113130.7172.4177.50000109R213 Y227 F228 E230V211-R213 PolarHBondContact O-N 3.3Å; V211-Y227 CarbonylContact O-C 3.51Å; V211-Y227 WeakPolarHBondContact O-CA 3.01Å; V211-F228 PolarHBondContact N-O 3.27Å; V211-F228 PolarHBondContact O-N 2.77Å; V211-E230 VanDerWaalsContact CG2-CD 3.43Å; V211-E230 HydrophobicContact CG2-CG 4.09Å; V211-E230 VanDerWaalsContact CG2-OE2 3.27Å; V211-E230 WeakPolarHBondContact CG2-OE2 3.43Å
212C96.7Very high92.7Very high79 Ų7972.2 Ų72.253%0.53438%0.379SS..EExtended strand (participates in β ladder)trans-66.2117.8175.5-173.30000109.5Y227C212-Y227 HydrophobicContact CB-CD1 4.15Å; C212-Y227 HydrophobicContact CB-CE1 3.96Å
213R95.1Very high92.7Very high81 Ų8175.3 Ų75.331%0.30639%0.392SS..EExtended strand (participates in β ladder)trans-78.4-35173.6176.6-178.2175147.7-3.5110.9T187 V211 V216 T226 F228T187-R213 VanDerWaalsContact O-CZ 3.23Å; T187-R213 PolarHBondContact O-NH1 3.39Å; T187-R213 PolarHBondContact O-NH2 2.8Å; V211-R213 PolarHBondContact O-N 3.3Å; R213-V216 HydrophobicContact CG-CG2 4.48Å; R213-T226 WeakPolarHBondContact CB-O 3.49Å; R213-T226 WeakPolarHBondContact CD-OG1 3.49Å; R213-T226 PolarHBondContact N-O 3.23Å; R213-F228 HydrophobicContact CB-CD2 3.87Å; R213-F228 HydrophobicContact CB-CE2 3.66Å; R213-F228 HydrophobicContact CB-CG 4.46Å; R213-F228 HydrophobicContact CB-CZ 4.08Å; R213-F228 HydrophobicContact CG-CD2 4.28Å; R213-F228 HydrophobicContact CG-CE1 4.4Å; R213-F228 HydrophobicContact CG-CE2 3.55Å; R213-F228 HydrophobicContact CG-CZ 3.63Å
214G95.6Very high92.8Very high21 Ų2177.3 Ų77.322%0.21640%0.402CS..EExtended strand (participates in β ladder)trans106.7-164.4-172.800000112.5T226G214-T226 PolarHBondContact N-O 3.35Å; G214-T226 PolarHBondContact O-N 3Å; G214-T226 PolarHBondContact O-OG1 3.1Å
215K95.5Very high93.1Very high160 Ų16072.3 Ų72.370%0.69639%0.387SS*.EExtended strand (participates in β ladder)trans-82132.6-178.8-65.1-177-178.8-179.80110.6E223 M224K215-E223 HydrophobicContact CB-CB 4.41Å; K215-E223 HydrophobicContact CD-CB 4.34Å; K215-M224 CarbonylContact C-O 3.53Å; K215-M224 VanDerWaalsContact CA-O 3.31Å; K215-M224 WeakPolarHBondContact CA-O 3.1Å
216V95.4Very high93.7Very high16 Ų1662 Ų6210%0.09735%0.348CS..EExtended strand (participates in β ladder)trans-124.4134176.6177.30000108.5T187 R213 V218 M224 T226T187-V216 HydrophobicContact CG2-CG1 4.15Å; R213-V216 HydrophobicContact CG-CG2 4.48Å; V216-V218 PolarHBondContact O-N 2.95Å; V216-M224 PolarHBondContact N-O 3.29Å; V216-M224 PolarHBondContact O-N 3.39Å; V216-T226 HydrophobicContact CB-CG2 4.15Å; V216-T226 HydrophobicContact CG2-CG2 4.17Å; V216-T226 WeakPolarHBondContact CG2-OG1 3.32Å
217S94.4Very high94.1Very high79 Ų7962 Ų6255%0.55234%0.343SS*.EExtended strand (participates in β ladder)trans-74.1119177.4-141.30000110.9E223S217-E223 WeakPolarHBondContact CA-OE1 3.31Å; S217-E223 WeakPolarHBondContact CB-OE1 3.24Å; S217-E223 PolarHBondContact OG-OE1 3.09Å
218V92.3Very high94.4Very high4 Ų460 Ų602%0.02433%0.328CS..EExtended strand (participates in β ladder)trans-115.8120.7-179.5177.90000109.2R183 M184 V216 G220 K221 G222 M224R183-V218 HydrophobicContact CB-CG1 3.87Å; R183-V218 HydrophobicContact CG-CG1 3.94Å; M184-V218 HydrophobicContact CE-CG2 3.71Å; V216-V218 PolarHBondContact O-N 2.95Å; V218-G220 PolarHBondContact O-N 3.28Å; V218-K221 HydrophobicContact CB-CB 4.12Å; V218-K221 HydrophobicContact CG1-CB 4.07Å; V218-K221 HydrophobicContact CG1-CG 4.27Å; V218-K221 PolarHBondContact O-N 3.48Å; V218-G222 PolarHBondContact N-O 3.08Å; V218-G222 PolarHBondContact O-N 3.15Å; V218-M224 HydrophobicContact CB-CG 4.13Å; V218-M224 HydrophobicContact CB-SD 3.8Å; V218-M224 HydrophobicContact CG1-SD 3.96Å; V218-M224 HydrophobicContact CG2-CB 4.14Å; V218-M224 HydrophobicContact CG2-CG 4.03Å; V218-M224 HydrophobicContact CG2-SD 3.78Å
219K87.6Confident94.5Very high176 Ų17659.2 Ų59.277%0.76533%0.325SS*.THydrogen-bonded Turntrans-53.2122.3179.5-174.6178.1-179.1177.40110.8K221K219-K221 VanDerWaalsContact C-N 3.3Å; K219-K221 PolarHBondContact O-N 3.09Å
220G87.3Confident94.4Very high81 Ų8157.8 Ų57.884%0.83532%0.318SS*.THydrogen-bonded Turntrans82-2.418000000115.4V218V218-G220 PolarHBondContact O-N 3.28Å
221K89.6Confident94.2Very high106 Ų10656.5 Ų56.546%0.46131%0.312SS..THydrogen-bonded Turntrans-120.4-18.9174-69.2-63-172.8-177.70114.1N176 V180 V218 K219 M224N176-K221 VanDerWaalsContact CG-CE 3.49Å; N176-K221 WeakPolarHBondContact ND2-CE 3.31Å; N176-K221 PolarHBondContact ND2-NZ 3.27Å; N176-K221 VanDerWaalsContact ND2-NZ 3.11Å; N176-K221 VanDerWaalsContact OD1-CE 3.26Å; N176-K221 WeakPolarHBondContact OD1-CE 3.26Å; V180-K221 HydrophobicContact CG2-CG 4.19Å; V218-K221 HydrophobicContact CB-CB 4.12Å; V218-K221 HydrophobicContact CG1-CB 4.07Å; V218-K221 HydrophobicContact CG1-CG 4.27Å; V218-K221 PolarHBondContact O-N 3.48Å; K219-K221 VanDerWaalsContact C-N 3.3Å; K219-K221 PolarHBondContact O-N 3.09Å; K221-M224 HydrophobicContact CB-CG 4.01Å; K221-M224 HydrophobicContact CB-SD 3.6Å; K221-M224 VanDerWaalsContact CB-SD 3.6Å; K221-M224 HydrophobicContact CG-SD 3.89Å
222G92.8Very high93.7Very high37 Ų3758.5 Ų58.538%0.38132%0.315SS..EExtended strand (participates in β ladder)trans79-148.2-173.100000110.9V218 M224V218-G222 PolarHBondContact N-O 3.08Å; V218-G222 PolarHBondContact O-N 3.15Å; G222-M224 PolarHBondContact O-N 3.21Å
223E95.3Very high92.9Very high111 Ų11158 Ų5852%0.51931%0.31SS..EExtended strand (participates in β ladder)trans-76.1121.1179.2-65.9-58.8122.900111.2K215 S217K215-E223 HydrophobicContact CB-CB 4.41Å; K215-E223 HydrophobicContact CD-CB 4.34Å; S217-E223 WeakPolarHBondContact CA-OE1 3.31Å; S217-E223 WeakPolarHBondContact CB-OE1 3.24Å; S217-E223 PolarHBondContact OG-OE1 3.09Å
224M95.5Very high91.2Very high43 Ų4357.5 Ų57.521%0.21231%0.313CS..EExtended strand (participates in β ladder)trans-114.2134.9177-65.9-171.466.600110.6V180 T196 K215 V216 V218 K221 G222V180-M224 HydrophobicContact CG1-CE 4.1Å; V180-M224 HydrophobicContact CG1-SD 4.37Å; T196-M224 HydrophobicContact CG2-CE 4.3Å; K215-M224 CarbonylContact C-O 3.53Å; K215-M224 VanDerWaalsContact CA-O 3.31Å; K215-M224 WeakPolarHBondContact CA-O 3.1Å; V216-M224 PolarHBondContact N-O 3.29Å; V216-M224 PolarHBondContact O-N 3.39Å; V218-M224 HydrophobicContact CB-CG 4.13Å; V218-M224 HydrophobicContact CB-SD 3.8Å; V218-M224 HydrophobicContact CG1-SD 3.96Å; V218-M224 HydrophobicContact CG2-CB 4.14Å; V218-M224 HydrophobicContact CG2-CG 4.03Å; V218-M224 HydrophobicContact CG2-SD 3.78Å; K221-M224 HydrophobicContact CB-CG 4.01Å; K221-M224 HydrophobicContact CB-SD 3.6Å; K221-M224 VanDerWaalsContact CB-SD 3.6Å; K221-M224 HydrophobicContact CG-SD 3.89Å; G222-M224 PolarHBondContact O-N 3.21Å
225L96.9Very high89.1Confident48 Ų4860.5 Ų60.525%0.25134%0.344SS..EExtended strand (participates in β ladder)trans-72.2131.2169.7-174.361.3000109.7E197 Y227E197-L225 PolarHBondContact N-O 3.39Å; L225-Y227 HydrophobicContact CD2-CE2 4.03Å; L225-Y227 WeakPolarHBondContact CD2-OH 3.5Å; L225-Y227 HydrophobicContact CG-CE2 3.87Å
226T97.6Very high86.6Confident0 Ų059.9 Ų59.90%035%0.348CS..EExtended strand (participates in β ladder)trans-132156.5-175.259.40000111.1M184 R213 G214 V216M184-T226 HydrophobicContact CE-CG2 4.04Å; M184-T226 HydrophobicContact SD-CG2 3.71Å; R213-T226 WeakPolarHBondContact CB-O 3.49Å; R213-T226 WeakPolarHBondContact CD-OG1 3.49Å; R213-T226 PolarHBondContact N-O 3.23Å; G214-T226 PolarHBondContact N-O 3.35Å; G214-T226 PolarHBondContact O-N 3Å; G214-T226 PolarHBondContact O-OG1 3.1Å; V216-T226 HydrophobicContact CB-CG2 4.15Å; V216-T226 HydrophobicContact CG2-CG2 4.17Å; V216-T226 WeakPolarHBondContact CG2-OG1 3.32Å
227Y98.1Very high84.1Confident33 Ų3362.8 Ų62.813%0.12938%0.381CS..EExtended strand (participates in β ladder)trans-131.9151.5-178.5-64.3-97.2000109.6Q194 V195 E197 H200 V211 C212 L225Q194-Y227 WeakPolarHBondContact CA-O 3.45Å; V195-Y227 PolarHBondContact N-O 2.9Å; V195-Y227 PolarHBondContact O-N 2.96Å; E197-Y227 HydrophobicContact CB-CE2 4.07Å; E197-Y227 HydrophobicContact CG-CE2 4.13Å; H200-Y227 HydrophobicContact CB-CD2 3.75Å; H200-Y227 HydrophobicContact CB-CE2 4.16Å; H200-Y227 HydrophobicContact CB-CG 4Å; H200-Y227 AromaticContact CE1-CE1 3.7Å; H200-Y227 AromaticContact CE1-CZ 3.83Å; H200-Y227 AromaticContact CG-CD2 3.93Å; H200-Y227 AromaticContact CG-CG 3.94Å; H200-Y227 AromaticContact ND1-CD2 4Å; H200-Y227 AromaticContact ND1-CE1 3.66Å; H200-Y227 AromaticContact ND1-CE2 3.62Å; H200-Y227 AromaticContact ND1-CZ 3.44Å; V211-Y227 CarbonylContact O-C 3.51Å; V211-Y227 WeakPolarHBondContact O-CA 3.01Å; C212-Y227 HydrophobicContact CB-CD1 4.15Å; C212-Y227 HydrophobicContact CB-CE1 3.96Å; L225-Y227 HydrophobicContact CD2-CE2 4.03Å; L225-Y227 WeakPolarHBondContact CD2-OH 3.5Å; L225-Y227 HydrophobicContact CG-CE2 3.87Å
228F98Very high81.6Confident21 Ų2164.6 Ų64.69%0.09239%0.394CS..EExtended strand (participates in β ladder)trans-94.6132.9163.6-64.8-57.7000109.3V189 R192 I193 Q194 F210 V211 R213 E230V189-F228 HydrophobicContact CB-CE1 4.31Å; V189-F228 HydrophobicContact CB-CZ 4.15Å; V189-F228 HydrophobicContact CG2-CE1 4.33Å; V189-F228 HydrophobicContact CG2-CZ 3.79Å; R192-F228 HydrophobicContact CB-CD1 3.82Å; R192-F228 HydrophobicContact CB-CE1 4.02Å; I193-F228 CarbonylContact O-C 3.54Å; I193-F228 VanDerWaalsContact O-CA 3.25Å; I193-F228 WeakPolarHBondContact O-CA 3.23Å; Q194-F228 HydrophobicContact CB-CD1 4.32Å; Q194-F228 HydrophobicContact CB-CE1 4.32Å; F210-F228 CarbonylContact C-O 3.55Å; F210-F228 VanDerWaalsContact CA-O 3.22Å; F210-F228 WeakPolarHBondContact CA-O 3.31Å; V211-F228 PolarHBondContact N-O 3.27Å; V211-F228 PolarHBondContact O-N 2.77Å; R213-F228 HydrophobicContact CB-CD2 3.87Å; R213-F228 HydrophobicContact CB-CE2 3.66Å; R213-F228 HydrophobicContact CB-CG 4.46Å; R213-F228 HydrophobicContact CB-CZ 4.08Å; R213-F228 HydrophobicContact CG-CD2 4.28Å; R213-F228 HydrophobicContact CG-CE1 4.4Å; R213-F228 HydrophobicContact CG-CE2 3.55Å; R213-F228 HydrophobicContact CG-CZ 3.63Å; F228-E230 HydrophobicContact CB-CG 4.49Å
229L96.6Very high79.2Confident1 Ų171.7 Ų71.71%0.00543%0.427CS..EExtended strand (participates in β ladder)trans-88.4117.1164.1170.664.8000107.1A127 I131 I193 V195 Y208 F210 L243A127-L229 HydrophobicContact CB-CD2 3.78Å; I131-L229 HydrophobicContact CD1-CD2 4.25Å; I131-L229 HydrophobicContact CG1-CD2 4.47Å; I193-L229 HydrophobicContact CB-CB 4.07Å; I193-L229 HydrophobicContact CD1-CD2 4.12Å; I193-L229 HydrophobicContact CD1-CG 4.42Å; I193-L229 HydrophobicContact CG2-CB 4.08Å; I193-L229 HydrophobicContact CG2-CD2 4.21Å; I193-L229 PolarHBondContact O-N 2.8Å; V195-L229 HydrophobicContact CG1-CB 4.22Å; Y208-L229 HydrophobicContact CD1-CD1 3.84Å; Y208-L229 HydrophobicContact CG-CD1 4Å; F210-L229 HydrophobicContact CD1-CB 4.06Å; F210-L229 HydrophobicContact CD1-CD1 4.21Å; F210-L229 HydrophobicContact CE1-CB 3.78Å; F210-L229 HydrophobicContact CE1-CD1 3.74Å; F210-L229 HydrophobicContact CE1-CG 4.28Å; F210-L229 HydrophobicContact CE2-CD1 4.37Å; F210-L229 HydrophobicContact CZ-CD1 3.82Å; L229-L243 WeakPolarHBondContact O-CD1 3.47Å
230E91.7Very high77.4Confident39 Ų3967.6 Ų67.618%0.18241%0.412CS..EExtended strand (participates in β ladder)trans-101.8-11.1-175.4-68.3-165.8149.700114R192 H209 V211 F228 L243R192-E230 IonicContact CZ-OE1 2.6Å; R192-E230 IonicContact NH1-OE1 2.69Å; R192-E230 PolarHBondContact NH1-OE1 3.41Å; H209-E230 IonicContact CD2-OE2 3.71Å; H209-E230 PolarHBondContact CD2-OE2 3.29Å; H209-E230 IonicContact NE2-OE2 3.81Å; H209-E230 PolarHBondContact O-N 3.41Å; V211-E230 VanDerWaalsContact CG2-CD 3.43Å; V211-E230 HydrophobicContact CG2-CG 4.09Å; V211-E230 VanDerWaalsContact CG2-OE2 3.27Å; V211-E230 WeakPolarHBondContact CG2-OE2 3.43Å; F228-E230 HydrophobicContact CB-CG 4.49Å; E230-L243 PolarHBondContact O-N 3.43Å
231G90.1Very high75.6Confident0 Ų071.9 Ų71.90%040%0.403CS..EExtended strand (participates in β ladder)trans150-167.717800000113.1Y208 H209Y208-G231 WeakPolarHBondContact CA-O 3.24Å; H209-G231 PolarHBondContact N-O 3.06Å
232R86.8Confident73.7Confident92 Ų9270 Ų7035%0.34740%0.404SS..EExtended strand (participates in β ladder)trans-88.5142.6174.4-64.7178.667.998-6.9110.7D128 I131 P207 Y208 D234D128-R232 IonicContact OD1-CZ 3.62Å; D128-R232 IonicContact OD1-NH1 3.69Å; D128-R232 PolarHBondContact OD1-NH1 3.02Å; D128-R232 IonicContact OD2-NH1 3.43Å; D128-R232 PolarHBondContact OD2-NH1 2.89Å; I131-R232 HydrophobicContact CD1-CG 4.26Å; P207-R232 CarbonylContact O-C 3.47Å; P207-R232 VanDerWaalsContact O-CA 3.24Å; P207-R232 WeakPolarHBondContact O-CA 3.45Å; Y208-R232 HydrophobicContact CD1-CG 4.1Å; Y208-R232 HydrophobicContact CE1-CG 3.9Å; R232-D234 PolarHBondContact O-N 2.84Å
233T78Confident72Confident70 Ų7069.1 Ų69.143%0.42939%0.39SS..BIsolated β-bridgetrans-89.699.6171.4-51.20000107.8P207 H209 G235P207-T233 PolarHBondContact O-N 3.5Å; H209-T233 PolarHBondContact N-OG1 2.93Å; T233-G235 PolarHBondContact O-N 3.43Å
234D61.2Low69.7Low69 Ų6965.5 Ų65.537%0.36938%0.382SS..  trans-67.6129172.5-70.9-25.2000109R232 N236R232-D234 PolarHBondContact O-N 2.84Å; D234-N236 CarbonylContact O-C 3.55Å; D234-N236 PolarHBondContact O-N 2.65Å
235G51.3Low67.3Low84 Ų8467.7 Ų67.787%0.86639%0.394SS*.SBendtrans-62.2-2.1-177.200000115.4T233T233-G235 PolarHBondContact O-N 3.43Å
236N42.7Very low64.5Low147 Ų14772.4 Ų72.479%0.78642%0.42SS*.SBendtrans-101.395.6165.8-87.2-1.2000107.9D234 S238D234-N236 CarbonylContact O-C 3.55Å; D234-N236 PolarHBondContact O-N 2.65Å; N236-S238 PolarHBondContact O-N 2.96Å
237G42.6Very low62Low77 Ų7782.5 Ų82.579%0.79446%0.458SS*.SBendtrans-60.986.2-170.400000115
238S42.6Very low58.9Low117 Ų11790.3 Ų90.382%0.81849%0.493SS*.SBendtrans177.131.5154.429.50000116N236N236-S238 PolarHBondContact O-N 2.96Å
239Q41.3Very low56Low154 Ų15497.5 Ų97.572%0.7253%0.529SS*.  trans-140.3104.9160.6-69.1-167.58.200111.1
240I49Very low52.7Low90 Ų90100.1 Ų100.146%0.46256%0.556SS.*BIsolated β-bridgetrans-75121.8160.7-57.1175.5000104.9S242I240-S242 WeakPolarHBondContact CG2-OG 3.34Å; I240-S242 PolarHBondContact O-N 2.72Å
241R50.6Low50Low170 Ų170104.4 Ų104.464%0.64259%0.587SS**  trans-70.376159.3-71.7-169-176.3-160.40.9107.1L243R241-L243 PolarHBondContact O-N 2.98Å
242S50.3Low47.5Very low68 Ų68114.8 Ų114.848%0.47663%0.627SS.*  trans-62.6128.9-176.4-69.90000109.1I240 G244I240-S242 WeakPolarHBondContact CG2-OG 3.34Å; I240-S242 PolarHBondContact O-N 2.72Å; S242-G244 PolarHBondContact O-N 3.25Å
243L55.2Low44.7Very low18 Ų18113.9 Ų113.99%0.09465%0.647CS.*  trans-57.1104.6167.8-65.1172.1000109.4I131 F134 I193 L229 E230 R241 L245I131-L243 HydrophobicContact CG1-CD2 4.49Å; I131-L243 HydrophobicContact CG2-CD2 4.41Å; F134-L243 HydrophobicContact CB-CD2 4.23Å; F134-L243 HydrophobicContact CD1-CD2 4.29Å; F134-L243 HydrophobicContact CD2-CD2 3.55Å; F134-L243 HydrophobicContact CE2-CD2 3.93Å; F134-L243 HydrophobicContact CG-CD2 3.77Å; F134-L243 HydrophobicContact CZ-CD2 4.44Å; I193-L243 HydrophobicContact CB-CD1 4.37Å; I193-L243 HydrophobicContact CD1-CD1 3.84Å; I193-L243 HydrophobicContact CD1-CD2 4.16Å; I193-L243 HydrophobicContact CG1-CD1 3.8Å; L229-L243 WeakPolarHBondContact O-CD1 3.47Å; E230-L243 PolarHBondContact O-N 3.43Å; R241-L243 PolarHBondContact O-N 2.98Å; L243-L245 PolarHBondContact O-N 3.44Å
244G47.1Very low42.8Very low34 Ų34122.8 Ų122.835%0.35167%0.673SS.*SBendtrans47.2-29.9155.200000122.5S242 D246 R247S242-G244 PolarHBondContact O-N 3.25Å; G244-D246 VanDerWaalsContact C-N 3.34Å; G244-D246 PolarHBondContact O-N 3.42Å; G244-R247 PolarHBondContact O-N 3.42Å
245L45.1Very low41.2Very low89 Ų89124.2 Ų124.247%0.46669%0.694SS.*THydrogen-bonded Turntrans-70.5-20.5-162.1-92.1128.6000115.2G191 R192 L243G191-L245 WeakPolarHBondContact O-CD1 3.46Å; R192-L245 HydrophobicContact CG-CD1 3.68Å; L243-L245 PolarHBondContact O-N 3.44Å
246D39.8Very low40.2Very low148 Ų148123.5 Ų123.579%0.79169%0.687SS**THydrogen-bonded Turntrans-104.93.8-177.6-78-40.9000114.8G244 K248G244-D246 VanDerWaalsContact C-N 3.34Å; G244-D246 PolarHBondContact O-N 3.42Å; D246-K248 PolarHBondContact O-N 3.36Å
247R45Very low39.7Very low212 Ų212125.1 Ų125.180%0.870%0.695SS**  trans-8162.7170-75.9-175.1170.1179.2-0.8110.6G244 M249G244-R247 PolarHBondContact O-N 3.42Å; R247-M249 PolarHBondContact O-N 3.07Å; R247-M249 VanDerWaalsContact O-N 3.16Å
248K31.4Very low39.2Very low197 Ų197130.6 Ų130.686%0.85770%0.699SS**  trans-59.4118.8162.2-89.7-174176.8178.70108.6D246 G250D246-K248 PolarHBondContact O-N 3.36Å; K248-G250 PolarHBondContact O-N 3.49Å
249M37.1Very low39Very low172 Ų172128.4 Ų128.485%0.84770%0.695SS**  trans-53.4106171.6-151.4161.9-169.700109.6R247R247-M249 PolarHBondContact O-N 3.07Å; R247-M249 VanDerWaalsContact O-N 3.16Å
250G28.5Very low38.4Very low56 Ų56133 Ų13358%0.57771%0.706SS**  trans-73.9152.5171.300000110.9K248K248-G250 PolarHBondContact O-N 3.49Å
251P34.9Very low37.6Very low128 Ų128140.2 Ų140.283%0.83173%0.727SS**  trans-71.2142.8-164.230.4-34000111.8G253P251-G253 PolarHBondContact O-N 3.34Å
252Y37.2Very low36.8Very low218 Ų218137.5 Ų137.586%0.85573%0.732SS**  trans-41.2109.2173.8-80.8-90.7000113.1
253G28.6Very low36.1Very low73 Ų73140.3 Ų140.375%0.75375%0.748SS**  trans-107.9109.3167.600000110.4P251 A255P251-G253 PolarHBondContact O-N 3.34Å; G253-A255 PolarHBondContact O-N 3.13Å
254R37Very low35.3Very low258 Ų258146 Ų14697%0.97478%0.784SS**  trans-54.9124.7167.9-85.8178.1165.2-175.7-3111
255A27.8Very low34.5Very low98 Ų98149.8 Ų149.881%0.8180%0.804SS**  trans-163.2113.5141.800000111.3G253G253-A255 PolarHBondContact O-N 3.13Å
256G29.7Very low33.9Very low70 Ų70151.6 Ų151.672%0.72282%0.821SS**  trans24.4122.3158.700000121.7
257L33.9Very low33.9Very low181 Ų181152.9 Ų152.995%0.94882%0.824SS**  -166.5147.9120.8-97.9149000110.6
258Q31.8Very low33.6Very low191 Ų191148.6 Ų148.689%0.89382%0.823SS**  trans-72.4142.1-162.8-70.5161.6-9.200114.1
259G37.6Very low33.5Very low71 Ų71143 Ų14373%0.73282%0.822SS**  trans72.395.8133.600000118.6
260R29.3Very low33.3Very low252 Ų252141.2 Ų141.295%0.95182%0.82SS**  trans-163.9122.1132.6-104.2164.5-167.6-131.13.9109.5
261R31.3Very low33.4Very low241 Ų241144.4 Ų144.491%0.90983%0.834SS**PPolyproline II helixtrans-71.9146.8173-73.5179.8171.4-175.5-3.1109.6
262P34.9Very low33.2Very low113 Ų113144.6 Ų144.673%0.73483%0.832SS**PPolyproline II helixtrans-71.7151.3171.230.6-32.3000110.6
263P35.9Very low32.9Very low127 Ų127146.1 Ų146.183%0.82584%0.837SS**PPolyproline II helixtrans-73.8131.5177.829.6-30.7000110.6
264V36.7Very low33Very low137 Ų137147.5 Ų147.583%0.8384%0.841SS**PPolyproline II helixtrans-80.7126.7171.8179.20000108.2
265C31.3Very low32.6Very low114 Ų114139.1 Ų139.177%0.7783%0.834SS**PPolyproline II helixtrans-66.4135.2172.3-600000110.7
266P32.2Very low32.7Very low127 Ų127142.5 Ų142.583%0.82584%0.838SS**PPolyproline II helixtrans-83.9123.4174.827.7-22.7000111
267M40.4Very low33.4Very low175 Ų175144.3 Ų144.386%0.86284%0.837SS**PPolyproline II helixtrans-78.7139.8164-68.3-72-78.300109.6G269M267-G269 PolarHBondContact O-N 2.94Å
268P37.2Very low34.1Very low121 Ų121140.4 Ų140.479%0.78682%0.822SS**PPolyproline II helixtrans-77.3123.4170.217.1-8.7000110.7
269G30.2Very low34Very low80 Ų80139.1 Ų139.183%0.82582%0.816SS**PPolyproline II helixtrans-73.8127.6174.700000112.2M267M267-G269 PolarHBondContact O-N 2.94Å
270V32.8Very low33.8Very low135 Ų135140.5 Ų140.582%0.81882%0.815SS**PPolyproline II helixtrans-97.5120.4163.7178.30000107.4
271S31.1Very low34.5Very low123 Ų123134.8 Ų134.886%0.8681%0.81SS**PPolyproline II helixtrans-79.7122.2179.4-157.40000110
272V31.1Very low34.4Very low132 Ų132126.6 Ų126.680%0.880%0.8SS**  trans-107.1124.9171177.30000108.1
273R30.1Very low34.2Very low250 Ų250130.1 Ų130.194%0.94381%0.807SS**  trans-123129.6163.1-150.6178.1-174.4-162.60.9109.2
274A31.2Very low34Very low102 Ų102134.2 Ų134.284%0.84381%0.808SS**  trans-78.9153.6-168.500000114.4
275G28.1Very low33.7Very low81 Ų81135.6 Ų135.684%0.83581%0.809SS**  trans-170.5104.6163.300000110.7
276L30.9Very low33.8Very low170 Ų170135.2 Ų135.289%0.8981%0.808SS**  trans-104175.4170.7-89.1166.8000108.4
277P44Very low33.8Very low107 Ų107134.9 Ų134.970%0.69581%0.808SS**  cis-139.2-145.3-24.537.4-13.9000110.2
278P48.6Very low33.5Very low99 Ų99130.8 Ų130.864%0.64380%0.803SS**  cis-136.9179.5-16.426.2-0.2000117.5
279H29.8Very low33.5Very low165 Ų165129.6 Ų129.676%0.76480%0.803SS**  trans9795.8150.7-72-64000124.1
280S32.3Very low33.7Very low100 Ų100131 Ų13170%0.69981%0.807SS**  56171116.858.90000123.2
281P43.4Very low33.7Very low132 Ų132128.5 Ų128.586%0.85781%0.809SS**  -124.9160.2-88.435.8-16.7000115.1
282G30.1Very low34.1Very low68 Ų68132.4 Ų132.470%0.70181%0.81SS**  trans-171.2107.6168.700000112
283Q31.7Very low34.4Very low188 Ų188135.5 Ų135.588%0.87982%0.816SS**  93.6109.397-85.6-173.2-15.200114.3
284Y30.4Very low35Very low213 Ų213131.7 Ų131.784%0.83584%0.838SS**  trans29.6123.3133.8-82.1-94.2000119.6
285L31.7Very low35.2Very low166 Ų166133.2 Ų133.287%0.86984%0.838SS**  -178.3138.9105.2-96.4153.3000112.4
286S32.4Very low35.6Very low106 Ų106135.9 Ų135.974%0.74184%0.838SS**  trans-78.2154.5169.365.90000111.8
287S32.9Very low35.9Very low119 Ų119134.1 Ų134.183%0.83284%0.835SS**  trans-155.1119.4136.3-170.70000110.5
288A34.2Very low35.4Very low90 Ų90135.6 Ų135.674%0.74484%0.843SS**  trans-82.2171.1164.800000110.9
289A36.2Very low34.6Very low96 Ų96137.9 Ų137.979%0.79386%0.856SS**  trans103.7115.1142.800000119.4
290A35.6Very low34.9Very low110 Ų110136.1 Ų136.191%0.90986%0.862SS**  91130.3121.600000119.6
291G31.4Very low35.1Very low82 Ų82138.7 Ų138.785%0.84587%0.873SS**  trans173.674.6166.300000112.1
292K39.4Very low34.4Very low205 Ų205139.2 Ų139.289%0.89188%0.875SS**  trans-72.4147157.1-95.4-177.3172.1-177.60108.6
293E37.6Very low34.8Very low196 Ų196145.2 Ų145.292%0.91689%0.889SS**  trans156.2144.7150.7-92.3172.6175.700106.4
294A43.9Very low35.1Very low171 Ų171141.3 Ų141.3100%1.41389%0.89SS**  cis-156.60-19.700000104.6

Retrieved 294 of 294 residues in 78.2 ms (Link to these results)

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