A0A077ZK85_TRITR Loading...

cAMP-dependent protein kinase regulatory subunit

AlphaFold DB , UniProt , Accession A0A077ZK85, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 250 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
1M54.1Low67.3Low40 Ų4049.7 Ų49.720%0.19728%0.277CS..  0-48.30-158.4-176.7-46.500114.6Q3 N4 F7 F19 M22 V45 W93M1-Q3 PolarHBondContact O-N 2.96Å; M1-N4 WeakPolarHBondContact O-CB 3.41Å; M1-N4 PolarHBondContact O-N 3.3Å; M1-F7 HydrophobicContact CG-CD2 4.41Å; M1-F7 HydrophobicContact CG-CE2 3.93Å; M1-F7 HydrophobicContact SD-CE2 4.17Å; M1-F19 HydrophobicContact CB-CE1 3.97Å; M1-F19 HydrophobicContact CE-CD1 4.2Å; M1-F19 HydrophobicContact CE-CE1 4.26Å; M1-F19 HydrophobicContact CG-CE1 3.79Å; M1-F19 HydrophobicContact SD-CD1 3.48Å; M1-F19 WeakPolarHBondContact SD-CD1 3.37Å; M1-F19 HydrophobicContact SD-CE1 3.27Å; M1-F19 WeakPolarHBondContact SD-CE1 3.5Å; M1-F19 HydrophobicContact SD-CZ 4.48Å; M1-M22 HydrophobicContact CE-SD 4.14Å; M1-M22 HydrophobicContact SD-CE 4.28Å; M1-M22 HydrophobicContact SD-SD 3.37Å; M1-V45 HydrophobicContact CG-CG1 4.32Å; M1-W93 HydrophobicContact CE-CB 3.82Å; M1-W93 HydrophobicContact CE-CD2 3.41Å; M1-W93 VanDerWaalsContact CE-CD2 3.41Å; M1-W93 HydrophobicContact CE-CE3 4.19Å; M1-W93 HydrophobicContact CE-CG 3.2Å; M1-W93 HydrophobicContact CE-CZ2 4.37Å; M1-W93 HydrophobicContact SD-CG 4.44Å
2C56.7Low68.6Low106 Ų10656.1 Ų56.172%0.71631%0.31SS*.THydrogen-bonded Turntrans-57.2-11.4179.1-55.40000115.6N4C2-N4 VanDerWaalsContact C-N 3.33Å
3Q62.2Low69.8Low141 Ų14160.8 Ų60.866%0.65933%0.334SS*.THydrogen-bonded Turntrans-82.7-5.9174.9-64-178.4-7.500113.4M1 V5 H66M1-Q3 PolarHBondContact O-N 2.96Å; Q3-V5 PolarHBondContact O-N 3.48Å; Q3-H66 HydrophobicContact CB-CB 4.36Å; Q3-H66 PolarHBondContact OE1-CE1 3.08Å; Q3-H66 PolarHBondContact OE1-ND1 3.44Å
4N68.8Low70.8Confident3 Ų360.5 Ų60.52%0.01633%0.33CS..  trans-74.3127.1177.6-172.4-72.3000110.9M1 C2 L6 F7 V45 H66 S68M1-N4 WeakPolarHBondContact O-CB 3.41Å; M1-N4 PolarHBondContact O-N 3.3Å; C2-N4 VanDerWaalsContact C-N 3.33Å; N4-L6 VanDerWaalsContact C-N 3.26Å; N4-L6 PolarHBondContact O-N 2.75Å; N4-L6 VanDerWaalsContact OD1-CB 3.3Å; N4-L6 WeakPolarHBondContact OD1-CB 3.29Å; N4-L6 PolarHBondContact OD1-N 3.27Å; N4-F7 HydrophobicContact CB-CD2 3.85Å; N4-F7 HydrophobicContact CB-CE2 4.1Å; N4-F7 PolarHBondContact O-N 3.22Å; N4-F7 VanDerWaalsContact O-N 3.12Å; N4-V45 HydrophobicContact CB-CG1 4.31Å; N4-H66 PolarHBondContact ND2-O 2.85Å; N4-S68 WeakPolarHBondContact ND2-CB 3.29Å; N4-S68 PolarHBondContact ND2-OG 2.71Å
5V65.6Low71.6Confident14 Ų1460.3 Ų60.39%0.08532%0.324CS..G310 helixtrans-58.4-31.4-176.763.40000114.1Q3 F7 A8 D138 R223Q3-V5 PolarHBondContact O-N 3.48Å; V5-F7 PolarHBondContact O-N 3.24Å; V5-A8 WeakPolarHBondContact O-CB 3.42Å; V5-A8 PolarHBondContact O-N 3.48Å; V5-D138 WeakPolarHBondContact CG2-O 3.19Å; V5-R223 VanDerWaalsContact CG2-CZ 3.4Å
6L67.7Low72.6Confident18 Ų1863.6 Ų63.69%0.09434%0.335CS..G310 helixtrans-64.4-26.5-179.4-71.9168.1000112.1N4 F43 S68N4-L6 VanDerWaalsContact C-N 3.26Å; N4-L6 PolarHBondContact O-N 2.75Å; N4-L6 VanDerWaalsContact OD1-CB 3.3Å; N4-L6 WeakPolarHBondContact OD1-CB 3.29Å; N4-L6 PolarHBondContact OD1-N 3.27Å; L6-F43 HydrophobicContact CD1-CE2 3.42Å; L6-F43 VanDerWaalsContact CD1-CE2 3.42Å; L6-F43 HydrophobicContact CD1-CZ 3.4Å; L6-S68 WeakPolarHBondContact CD1-OG 3.3Å
7F73.4Confident73.4Confident4 Ų464.9 Ų64.92%0.01834%0.342CS..G310 helixtrans-94.4-6.9-179.5-50.7-40.1000113.5M1 N4 V5 H9 L10 K15 I18 M22 F43 V45 L104M1-F7 HydrophobicContact CG-CD2 4.41Å; M1-F7 HydrophobicContact CG-CE2 3.93Å; M1-F7 HydrophobicContact SD-CE2 4.17Å; N4-F7 HydrophobicContact CB-CD2 3.85Å; N4-F7 HydrophobicContact CB-CE2 4.1Å; N4-F7 PolarHBondContact O-N 3.22Å; N4-F7 VanDerWaalsContact O-N 3.12Å; V5-F7 PolarHBondContact O-N 3.24Å; F7-H9 PolarHBondContact O-N 3.4Å; F7-L10 HydrophobicContact CB-CD1 4.23Å; F7-L10 HydrophobicContact CD1-CD1 3.86Å; F7-L10 HydrophobicContact CG-CD1 4.5Å; F7-L10 PolarHBondContact O-N 2.95Å; F7-K15 WeakPolarHBondContact O-CE 3.17Å; F7-I18 HydrophobicContact CD1-CD1 3.99Å; F7-I18 HydrophobicContact CD1-CG2 4.45Å; F7-I18 HydrophobicContact CE1-CD1 3.99Å; F7-I18 HydrophobicContact CE1-CG2 3.8Å; F7-I18 HydrophobicContact CZ-CG2 3.94Å; F7-M22 HydrophobicContact CZ-CE 4.35Å; F7-M22 HydrophobicContact CZ-SD 4.2Å; F7-F43 HydrophobicContact CE1-CE1 4.25Å; F7-F43 AromaticContact CZ-CE1 3.93Å; F7-F43 HydrophobicContact CZ-CE1 3.93Å; F7-V45 HydrophobicContact CE2-CG2 3.89Å; F7-V45 HydrophobicContact CZ-CG2 3.85Å; F7-L104 HydrophobicContact CE1-CD1 4.38Å
8A69.4Low74.1Confident49 Ų4961.4 Ų61.441%0.40532%0.324SS..THydrogen-bonded Turntrans-64.4-28.5-175.500000113V5V5-A8 WeakPolarHBondContact O-CB 3.42Å; V5-A8 PolarHBondContact O-N 3.48Å
9H67.5Low74.7Confident84 Ų8461.8 Ų61.839%0.38932%0.323SS..THydrogen-bonded Turntrans-95-2-176.2-49.4-56.6000114.3F7 K111F7-H9 PolarHBondContact O-N 3.4Å; H9-K111 PolarHBondContact NE2-NZ 3.22Å
10L75Confident75.5Confident8 Ų864.3 Ų64.34%0.04234%0.336CS..SBendtrans-85.3145-177.5-59.5179000110.8F7 E14 K15 I18 L104F7-L10 HydrophobicContact CB-CD1 4.23Å; F7-L10 HydrophobicContact CD1-CD1 3.86Å; F7-L10 HydrophobicContact CG-CD1 4.5Å; F7-L10 PolarHBondContact O-N 2.95Å; L10-E14 VanDerWaalsContact CA-OE2 3.28Å; L10-E14 WeakPolarHBondContact CA-OE2 3.37Å; L10-E14 HydrophobicContact CB-CB 3.88Å; L10-E14 HydrophobicContact CD1-CB 4.49Å; L10-E14 HydrophobicContact CD2-CB 4.29Å; L10-E14 WeakPolarHBondContact CD2-OE2 3.42Å; L10-E14 HydrophobicContact CG-CB 4.44Å; L10-K15 HydrophobicContact CB-CG 3.84Å; L10-K15 WeakPolarHBondContact O-CE 3.38Å; L10-K15 PolarHBondContact O-NZ 3.27Å; L10-I18 HydrophobicContact CD1-CD1 3.2Å; L10-L104 HydrophobicContact CD1-CD2 3.56Å; L10-L104 HydrophobicContact CD2-CD2 3.74Å; L10-L104 HydrophobicContact CG-CD2 4.18Å
11D79.9Confident76.3Confident80 Ų8062.7 Ų62.743%0.42833%0.333SS..  trans-70.6168.9169.773.846.9000111.5N13 E14 K15D11-N13 PolarHBondContact O-N 3.33Å; D11-N13 WeakPolarHBondContact OD1-CA 3.44Å; D11-N13 WeakPolarHBondContact OD1-CB 3.31Å; D11-N13 PolarHBondContact OD1-N 3.27Å; D11-E14 PolarHBondContact N-OE2 2.64Å; D11-E14 PolarHBondContact O-N 2.68Å; D11-E14 PolarHBondContact OD1-N 2.8Å; D11-K15 WeakPolarHBondContact O-CB 3.39Å; D11-K15 WeakPolarHBondContact O-CG 3.25Å; D11-K15 PolarHBondContact O-N 2.75Å
12D82.9Confident78.2Confident126 Ų12661.4 Ų61.467%0.67433%0.326SS*.Hα-helixtrans-66.2-27-174.6-66.8-26.3000113K15 K16D12-K15 IonicContact OD1-NZ 3.62Å; D12-K16 VanDerWaalsContact O-CB 3.29Å; D12-K16 WeakPolarHBondContact O-CB 3.34Å; D12-K16 PolarHBondContact O-N 2.96Å
13N84.7Confident80.1Confident117 Ų11760.3 Ų60.363%0.62631%0.309SS*.Hα-helixtrans-74.7-46.2175.2-63.4-41.1000110.5D11 K15 K16 D17D11-N13 PolarHBondContact O-N 3.33Å; D11-N13 WeakPolarHBondContact OD1-CA 3.44Å; D11-N13 WeakPolarHBondContact OD1-CB 3.31Å; D11-N13 PolarHBondContact OD1-N 3.27Å; N13-K15 VanDerWaalsContact C-N 3.31Å; N13-K15 PolarHBondContact O-N 3.44Å; N13-K16 PolarHBondContact O-N 3.06Å; N13-K16 VanDerWaalsContact O-N 3.17Å; N13-D17 PolarHBondContact O-N 2.94Å
14E83Confident81.7Confident57 Ų5758 Ų5827%0.26631%0.307SS..Hα-helixtrans-59.4-42.2175.3-71.7177.6142.100111.4L10 D11 I18 I103L10-E14 VanDerWaalsContact CA-OE2 3.28Å; L10-E14 WeakPolarHBondContact CA-OE2 3.37Å; L10-E14 HydrophobicContact CB-CB 3.88Å; L10-E14 HydrophobicContact CD1-CB 4.49Å; L10-E14 HydrophobicContact CD2-CB 4.29Å; L10-E14 WeakPolarHBondContact CD2-OE2 3.42Å; L10-E14 HydrophobicContact CG-CB 4.44Å; D11-E14 PolarHBondContact N-OE2 2.64Å; D11-E14 PolarHBondContact O-N 2.68Å; D11-E14 PolarHBondContact OD1-N 2.8Å; E14-I18 WeakPolarHBondContact O-CG1 3.18Å; E14-I18 PolarHBondContact O-N 3.32Å; E14-I18 VanDerWaalsContact O-N 3.09Å; E14-I103 HydrophobicContact CB-CG2 4.19Å; E14-I103 HydrophobicContact CG-CG2 4.4Å
15K84Confident83.1Confident58 Ų5859.5 Ų59.525%0.25232%0.316SS..Hα-helixtrans-59.5-50.4173.1-78175.1-175.5144.30111F7 L10 D11 D12 N13 D17 I18 F19F7-K15 WeakPolarHBondContact O-CE 3.17Å; L10-K15 HydrophobicContact CB-CG 3.84Å; L10-K15 WeakPolarHBondContact O-CE 3.38Å; L10-K15 PolarHBondContact O-NZ 3.27Å; D11-K15 WeakPolarHBondContact O-CB 3.39Å; D11-K15 WeakPolarHBondContact O-CG 3.25Å; D11-K15 PolarHBondContact O-N 2.75Å; D12-K15 IonicContact OD1-NZ 3.62Å; N13-K15 VanDerWaalsContact C-N 3.31Å; N13-K15 PolarHBondContact O-N 3.44Å; K15-D17 PolarHBondContact O-N 2.92Å; K15-I18 PolarHBondContact O-N 3.35Å; K15-F19 HydrophobicContact CB-CD2 4.21Å; K15-F19 HydrophobicContact CB-CE2 3.92Å; K15-F19 WeakPolarHBondContact O-CD2 3.34Å; K15-F19 WeakPolarHBondContact O-CG 3.17Å; K15-F19 PolarHBondContact O-N 3.4Å
16K86.5Confident84.7Confident112 Ų11264.2 Ų64.249%0.48734%0.337SS..Hα-helixtrans-58.9-47.2180-175.6-175175.7-59.50111.5D12 N13 I18 F19 D20D12-K16 VanDerWaalsContact O-CB 3.29Å; D12-K16 WeakPolarHBondContact O-CB 3.34Å; D12-K16 PolarHBondContact O-N 2.96Å; N13-K16 PolarHBondContact O-N 3.06Å; N13-K16 VanDerWaalsContact O-N 3.17Å; K16-I18 VanDerWaalsContact C-N 3.26Å; K16-I18 PolarHBondContact O-N 2.86Å; K16-F19 PolarHBondContact O-N 2.93Å; K16-F19 VanDerWaalsContact O-N 3.17Å; K16-D20 IonicContact NZ-OD2 2.74Å; K16-D20 PolarHBondContact NZ-OD2 2.69Å; K16-D20 WeakPolarHBondContact O-CB 3.47Å; K16-D20 PolarHBondContact O-N 3.28Å
17D87Confident86.1Confident87 Ų8765.1 Ų65.147%0.46534%0.34SS..Hα-helixtrans-61.5-35.5179.6-74.8-8.2000112.1N13 K15 A21 I103N13-D17 PolarHBondContact O-N 2.94Å; K15-D17 PolarHBondContact O-N 2.92Å; D17-A21 VanDerWaalsContact O-CB 3.31Å; D17-A21 WeakPolarHBondContact O-CB 3.49Å; D17-A21 PolarHBondContact O-N 2.89Å; D17-I103 HydrophobicContact CB-CD1 3.73Å
18I85.4Confident87.3Confident2 Ų270.3 Ų70.31%0.0137%0.365CS..Hα-helixtrans-68-51.7172.4-71.2169.5000110.6F7 L10 E14 K15 K16 D20 A21 M22 L95 I103 L104F7-I18 HydrophobicContact CD1-CD1 3.99Å; F7-I18 HydrophobicContact CD1-CG2 4.45Å; F7-I18 HydrophobicContact CE1-CD1 3.99Å; F7-I18 HydrophobicContact CE1-CG2 3.8Å; F7-I18 HydrophobicContact CZ-CG2 3.94Å; L10-I18 HydrophobicContact CD1-CD1 3.2Å; E14-I18 WeakPolarHBondContact O-CG1 3.18Å; E14-I18 PolarHBondContact O-N 3.32Å; E14-I18 VanDerWaalsContact O-N 3.09Å; K15-I18 PolarHBondContact O-N 3.35Å; K16-I18 VanDerWaalsContact C-N 3.26Å; K16-I18 PolarHBondContact O-N 2.86Å; I18-D20 VanDerWaalsContact C-N 3.26Å; I18-D20 PolarHBondContact O-N 2.85Å; I18-A21 PolarHBondContact O-N 3.38Å; I18-M22 HydrophobicContact CG2-CG 4.05Å; I18-M22 HydrophobicContact CG2-SD 3.8Å; I18-M22 VanDerWaalsContact O-CG 3.29Å; I18-M22 WeakPolarHBondContact O-CG 3.15Å; I18-M22 PolarHBondContact O-N 2.92Å; I18-L95 HydrophobicContact CG1-CD2 4.43Å; I18-L95 HydrophobicContact CG2-CD2 4.3Å; I18-I103 HydrophobicContact CD1-CG2 3.92Å; I18-I103 HydrophobicContact CG1-CB 4.29Å; I18-I103 HydrophobicContact CG1-CD1 3.86Å; I18-I103 HydrophobicContact CG1-CG2 3.83Å; I18-L104 HydrophobicContact CD1-CD1 3.96Å; I18-L104 HydrophobicContact CD1-CD2 3.47Å; I18-L104 VanDerWaalsContact CD1-CD2 3.47Å; I18-L104 HydrophobicContact CD1-CG 3.76Å
19F86.1Confident88.7Confident69 Ų6970.1 Ų70.130%0.30336%0.363SS..Hα-helixtrans-57.7-40.8-177.7-73.5-60.8000112M1 K15 K16 A21 M22M1-F19 HydrophobicContact CB-CE1 3.97Å; M1-F19 HydrophobicContact CE-CD1 4.2Å; M1-F19 HydrophobicContact CE-CE1 4.26Å; M1-F19 HydrophobicContact CG-CE1 3.79Å; M1-F19 HydrophobicContact SD-CD1 3.48Å; M1-F19 WeakPolarHBondContact SD-CD1 3.37Å; M1-F19 HydrophobicContact SD-CE1 3.27Å; M1-F19 WeakPolarHBondContact SD-CE1 3.5Å; M1-F19 HydrophobicContact SD-CZ 4.48Å; K15-F19 HydrophobicContact CB-CD2 4.21Å; K15-F19 HydrophobicContact CB-CE2 3.92Å; K15-F19 WeakPolarHBondContact O-CD2 3.34Å; K15-F19 WeakPolarHBondContact O-CG 3.17Å; K15-F19 PolarHBondContact O-N 3.4Å; K16-F19 PolarHBondContact O-N 2.93Å; K16-F19 VanDerWaalsContact O-N 3.17Å; F19-A21 VanDerWaalsContact C-N 3.29Å; F19-A21 PolarHBondContact O-N 3.24Å; F19-M22 PolarHBondContact O-N 3.03Å
20D89.7Confident90.2Very high110 Ų11072.6 Ų72.659%0.58838%0.379SS*.Hα-helixtrans-69.1-27178.6-72.4-13000112.8K16 I18K16-D20 IonicContact NZ-OD2 2.74Å; K16-D20 PolarHBondContact NZ-OD2 2.69Å; K16-D20 WeakPolarHBondContact O-CB 3.47Å; K16-D20 PolarHBondContact O-N 3.28Å; I18-D20 VanDerWaalsContact C-N 3.26Å; I18-D20 PolarHBondContact O-N 2.85Å
21A92.3Very high91.3Very high32 Ų3276.1 Ų76.126%0.26440%0.395SS..Hα-helixtrans-92.9-12.6-179.400000114.1D17 I18 F19 L95 T99D17-A21 VanDerWaalsContact O-CB 3.31Å; D17-A21 WeakPolarHBondContact O-CB 3.49Å; D17-A21 PolarHBondContact O-N 2.89Å; I18-A21 PolarHBondContact O-N 3.38Å; F19-A21 VanDerWaalsContact C-N 3.29Å; F19-A21 PolarHBondContact O-N 3.24Å; A21-L95 HydrophobicContact CB-CD1 3.74Å; A21-T99 HydrophobicContact CB-CG2 3.62Å
22M94.2Very high92.2Very high13 Ų1374 Ų746%0.06439%0.385CS..  trans-76.4141.8178.3-74-174.310100111.7M1 F7 I18 F19 V45 W93 A94 L95M1-M22 HydrophobicContact CE-SD 4.14Å; M1-M22 HydrophobicContact SD-CE 4.28Å; M1-M22 HydrophobicContact SD-SD 3.37Å; F7-M22 HydrophobicContact CZ-CE 4.35Å; F7-M22 HydrophobicContact CZ-SD 4.2Å; I18-M22 HydrophobicContact CG2-CG 4.05Å; I18-M22 HydrophobicContact CG2-SD 3.8Å; I18-M22 VanDerWaalsContact O-CG 3.29Å; I18-M22 WeakPolarHBondContact O-CG 3.15Å; I18-M22 PolarHBondContact O-N 2.92Å; F19-M22 PolarHBondContact O-N 3.03Å; M22-V45 HydrophobicContact CE-CB 4.17Å; M22-V45 HydrophobicContact CE-CG2 3.73Å; M22-W93 HydrophobicContact CB-CB 4.36Å; M22-W93 HydrophobicContact CB-CE3 4.01Å; M22-W93 HydrophobicContact CE-CB 3.33Å; M22-W93 VanDerWaalsContact CE-O 3.26Å; M22-W93 WeakPolarHBondContact CE-O 3.43Å; M22-W93 HydrophobicContact SD-CB 4.02Å; M22-A94 VanDerWaalsContact CA-O 3.25Å; M22-A94 WeakPolarHBondContact CA-O 3.28Å; M22-L95 HydrophobicContact CG-CB 4.21Å; M22-L95 HydrophobicContact CG-CD1 3.93Å
23F96.4Very high92.9Very high82 Ų8268.8 Ų68.836%0.3636%0.357SS..EExtended strand (participates in β ladder)trans-126.3147.2177.258.4-87.3000111.6V25 A94F23-V25 HydrophobicContact CD2-CG2 3.87Å; F23-V25 HydrophobicContact CE2-CG2 3.71Å; F23-A94 HydrophobicContact CD1-CB 4.45Å; F23-A94 WeakPolarHBondContact CD1-O 3.35Å; F23-A94 HydrophobicContact CD2-CB 4.03Å; F23-A94 HydrophobicContact CE1-CB 4.01Å; F23-A94 HydrophobicContact CE2-CB 3.55Å; F23-A94 HydrophobicContact CG-CB 4.46Å; F23-A94 HydrophobicContact CZ-CB 3.53Å; F23-A94 PolarHBondContact N-O 2.9Å; F23-A94 PolarHBondContact O-N 3.3Å
24P97.3Very high93.5Very high94 Ų9463.7 Ų63.761%0.6133%0.33SS*.EExtended strand (participates in β ladder)trans-73.4140.8-178.130.2-34.9000111.4L92 W93P24-L92 CarbonylContact C-O 3.47Å; P24-L92 WeakPolarHBondContact CA-O 3.34Å; P24-W93 HydrophobicContact CB-CZ3 4.45Å
25V97.6Very high94.2Very high33 Ų3367.8 Ų67.820%0.234%0.343CS..EExtended strand (participates in β ladder)trans-134.4132.4171.6-1790000108.1F23 L92 A94F23-V25 HydrophobicContact CD2-CG2 3.87Å; F23-V25 HydrophobicContact CE2-CG2 3.71Å; V25-L92 HydrophobicContact CB-CB 4.29Å; V25-L92 PolarHBondContact N-O 3.42Å; V25-L92 WeakPolarHBondContact O-CB 3.31Å; V25-L92 PolarHBondContact O-N 2.85Å; V25-A94 HydrophobicContact CG2-CB 3.7Å
26E98.2Very high94.7Very high113 Ų11368.1 Ų68.153%0.52835%0.345SS..EExtended strand (participates in β ladder)trans-117.4140.2177.8-60.6-166.1162.300110.2V90 K91E26-V90 WeakPolarHBondContact CA-O 3.34Å; E26-K91 HydrophobicContact CG-CG 4.18Å; E26-K91 WeakPolarHBondContact OE1-CD 3.3Å; E26-K91 WeakPolarHBondContact OE1-CE 3.29Å; E26-K91 IonicContact OE1-NZ 2.62Å; E26-K91 PolarHBondContact OE1-NZ 3.01Å
27H98.5Very high95Very high37 Ų3765.2 Ų65.217%0.17135%0.348CS..EExtended strand (participates in β ladder)trans-133.7141.6174.6-76.3-74.9000110.9E31 I33 A86 A89 V90H27-E31 VanDerWaalsContact CA-OE2 3.24Å; H27-E31 WeakPolarHBondContact CA-OE2 3.28Å; H27-E31 HydrophobicContact CB-CB 4.22Å; H27-E31 WeakPolarHBondContact CB-OE2 3.24Å; H27-E31 IonicContact CG-OE2 2.74Å; H27-E31 IonicContact ND1-OE2 3.69Å; H27-E31 PolarHBondContact ND1-OE2 3.02Å; H27-I33 HydrophobicContact CB-CG1 4.41Å; H27-A86 HydrophobicContact CB-CB 4.08Å; H27-A89 WeakPolarHBondContact O-CA 3.48Å; H27-V90 HydrophobicContact CB-CG2 3.66Å; H27-V90 PolarHBondContact N-O 3.11Å; H27-V90 PolarHBondContact O-N 3.23Å
28Q98.5Very high95.5Very high114 Ų11465.1 Ų65.153%0.53335%0.347SS..  trans-79.5159.1173.2-60-57.3-43.200111N30 E31 A86Q28-N30 PolarHBondContact O-N 2.81Å; Q28-E31 HydrophobicContact CB-CG 4.14Å; Q28-E31 PolarHBondContact N-OE2 2.84Å; Q28-E31 VanDerWaalsContact O-CB 3.31Å; Q28-E31 WeakPolarHBondContact O-CB 3.22Å; Q28-E31 WeakPolarHBondContact O-CG 3.49Å; Q28-E31 PolarHBondContact O-N 3.49Å; Q28-E31 VanDerWaalsContact O-N 3.08Å; Q28-A86 VanDerWaalsContact O-CB 3.27Å; Q28-A86 WeakPolarHBondContact O-CB 3.12Å
29A98.3Very high95.9Very high44 Ų4472.7 Ų72.736%0.36438%0.382SS..THydrogen-bonded Turntrans-54137.9176.300000111.3E31A29-E31 VanDerWaalsContact C-N 3.27Å; A29-E31 PolarHBondContact O-N 2.83Å
30N97.8Very high95.9Very high136 Ų13669.5 Ų69.573%0.72737%0.369SS*.THydrogen-bonded Turntrans72.8-3.6-174.3-51.4-68.6000116.7Q28 A86Q28-N30 PolarHBondContact O-N 2.81Å; N30-A86 WeakPolarHBondContact CA-O 3.41Å; N30-A86 PolarHBondContact N-O 3.38Å
31E98.5Very high96Very high82 Ų8268 Ų6838%0.38336%0.361SS..  trans-68.3146.4173.9-69.1-174.1163.300111.8H27 Q28 A29 K85 A86H27-E31 VanDerWaalsContact CA-OE2 3.24Å; H27-E31 WeakPolarHBondContact CA-OE2 3.28Å; H27-E31 HydrophobicContact CB-CB 4.22Å; H27-E31 WeakPolarHBondContact CB-OE2 3.24Å; H27-E31 IonicContact CG-OE2 2.74Å; H27-E31 IonicContact ND1-OE2 3.69Å; H27-E31 PolarHBondContact ND1-OE2 3.02Å; Q28-E31 HydrophobicContact CB-CG 4.14Å; Q28-E31 PolarHBondContact N-OE2 2.84Å; Q28-E31 VanDerWaalsContact O-CB 3.31Å; Q28-E31 WeakPolarHBondContact O-CB 3.22Å; Q28-E31 WeakPolarHBondContact O-CG 3.49Å; Q28-E31 PolarHBondContact O-N 3.49Å; Q28-E31 VanDerWaalsContact O-N 3.08Å; A29-E31 VanDerWaalsContact C-N 3.27Å; A29-E31 PolarHBondContact O-N 2.83Å; E31-K85 CarbonylContact O-C 3.56Å; E31-K85 VanDerWaalsContact O-CA 3.3Å; E31-K85 WeakPolarHBondContact O-CA 3.33Å; E31-A86 PolarHBondContact O-N 3.19Å
32V98.3Very high96.1Very high35 Ų3567.6 Ų67.621%0.21235%0.354CS..EExtended strand (participates in β ladder)trans-91.5120.2178.6-172.60000109.2I34 R35 T83 K85V32-I34 VanDerWaalsContact CG1-O 3.24Å; V32-I34 WeakPolarHBondContact CG1-O 3.35Å; V32-R35 HydrophobicContact CB-CG 4.49Å; V32-R35 HydrophobicContact CG1-CG 3.48Å; V32-R35 VanDerWaalsContact CG1-CG 3.48Å; V32-T83 HydrophobicContact CG1-CG2 3.85Å; V32-K85 HydrophobicContact CG2-CD 4.24Å; V32-K85 HydrophobicContact CG2-CG 4.12Å
33I98.1Very high96Very high18 Ų1867 Ų679%0.09235%0.351CS..EExtended strand (participates in β ladder)trans-90.4-43-178.5-47.2170.4000109.6H27 Y44 A51 F69 V84 A86 V90 L92H27-I33 HydrophobicContact CB-CG1 4.41Å; I33-Y44 HydrophobicContact CG2-CE1 4.3Å; I33-Y44 HydrophobicContact CG2-CE2 4.38Å; I33-A51 HydrophobicContact CD1-CB 4.21Å; I33-F69 HydrophobicContact CD1-CZ 4.04Å; I33-F69 HydrophobicContact CG2-CE2 3.92Å; I33-F69 HydrophobicContact CG2-CZ 4.07Å; I33-V84 HydrophobicContact CD1-CG1 4.21Å; I33-V84 PolarHBondContact N-O 3.02Å; I33-A86 HydrophobicContact CD1-CB 4.2Å; I33-A86 HydrophobicContact CG1-CB 4.48Å; I33-V90 HydrophobicContact CD1-CG2 4.05Å; I33-L92 HydrophobicContact CD1-CD1 4.14Å; I33-L92 HydrophobicContact CG2-CD1 3.78Å
34I97.4Very high95.9Very high9 Ų963.7 Ų63.75%0.04634%0.337CS..EExtended strand (participates in β ladder)trans-132.6137.4176.5-68.8177.1000107.8V32 Y44 F69 R80 A82 T83 V84V32-I34 VanDerWaalsContact CG1-O 3.24Å; V32-I34 WeakPolarHBondContact CG1-O 3.35Å; I34-Y44 HydrophobicContact CD1-CD2 4.04Å; I34-Y44 HydrophobicContact CD1-CE2 3.9Å; I34-Y44 HydrophobicContact CG1-CD2 4.49Å; I34-Y44 HydrophobicContact CG1-CE2 3.95Å; I34-F69 HydrophobicContact CD1-CD2 3.62Å; I34-F69 HydrophobicContact CD1-CE2 3.88Å; I34-F69 HydrophobicContact CG1-CE2 4.39Å; I34-R80 HydrophobicContact CG2-CB 3.8Å; I34-R80 VanDerWaalsContact CG2-CD 3.41Å; I34-R80 HydrophobicContact CG2-CG 3.56Å; I34-A82 WeakPolarHBondContact CG2-O 3.47Å; I34-T83 CarbonylContact O-C 3.52Å; I34-T83 WeakPolarHBondContact O-CA 3.18Å; I34-T83 VanDerWaalsContact O-CG2 3.28Å; I34-T83 WeakPolarHBondContact O-CG2 3.41Å; I34-V84 HydrophobicContact CB-CB 4.05Å; I34-V84 HydrophobicContact CB-CG2 4.1Å; I34-V84 HydrophobicContact CD1-CG2 4.17Å; I34-V84 PolarHBondContact N-O 3.49Å; I34-V84 PolarHBondContact O-N 2.72Å
35R97.4Very high95.7Very high143 Ų14359.2 Ų59.254%0.5431%0.308SS..  trans-106.2134.6169.1-65.7171.7-172.5-77.2-3.1110.4V32 G37 D38 R80V32-R35 HydrophobicContact CB-CG 4.49Å; V32-R35 HydrophobicContact CG1-CG 3.48Å; V32-R35 VanDerWaalsContact CG1-CG 3.48Å; R35-G37 PolarHBondContact O-N 2.87Å; R35-D38 WeakPolarHBondContact CB-OD2 3.48Å; R35-D38 WeakPolarHBondContact O-CB 3.02Å; R35-D38 PolarHBondContact O-N 2.85Å; R35-R80 WeakPolarHBondContact O-CB 3.48Å
36Q94.9Very high95.5Very high65 Ų6557.7 Ų57.730%0.30430%0.298SS..THydrogen-bonded Turntrans-59136173-174.7178.2-19.200110.1D38 N56 R80 A82 T83Q36-D38 VanDerWaalsContact C-N 3.34Å; Q36-N56 PolarHBondContact NE2-OD1 3.31Å; Q36-R80 CarbonylContact C-O 3.5Å; Q36-R80 WeakPolarHBondContact CA-O 3.47Å; Q36-R80 WeakPolarHBondContact CG-O 3.41Å; Q36-A82 PolarHBondContact N-O 3.14Å; Q36-T83 WeakPolarHBondContact CB-OG1 3.4Å; Q36-T83 PolarHBondContact N-OG1 3.43Å
37G93.5Very high95.4Very high52 Ų5255.2 Ų55.254%0.53629%0.289SS..THydrogen-bonded Turntrans91.4-16.5-17800000114.7R35 R80R35-G37 PolarHBondContact O-N 2.87Å; G37-R80 PolarHBondContact N-O 2.83Å
38D96.8Very high95.3Very high85 Ų8555.3 Ų55.346%0.45529%0.293SS..SBendtrans-71.5163.5177.2-71.87.8000111.5R35 Q36 P79 R80R35-D38 WeakPolarHBondContact CB-OD2 3.48Å; R35-D38 WeakPolarHBondContact O-CB 3.02Å; R35-D38 PolarHBondContact O-N 2.85Å; Q36-D38 VanDerWaalsContact C-N 3.34Å; D38-P79 CarbonylContact O-C 3.44Å; D38-P79 VanDerWaalsContact O-CA 3.29Å; D38-P79 WeakPolarHBondContact O-CA 3.31Å; D38-R80 HydrophobicContact CB-CG 4.18Å; D38-R80 VanDerWaalsContact O-CG 3.3Å; D38-R80 WeakPolarHBondContact O-CG 3.43Å; D38-R80 PolarHBondContact O-N 2.81Å
39Q93.5Very high95.2Very high160 Ų16051 Ų5175%0.74828%0.279SS*.BIsolated β-bridgetrans-72.7136.8169.9-174.3175.9-15.400110.2D41Q39-D41 PolarHBondContact O-N 3.49Å
40G87.2Confident95.1Very high2 Ų251.2 Ų51.22%0.02127%0.273CS..PPolyproline II helixtrans-69.1129174.100000112.4R97G40-R97 PolarHBondContact O-NE 2.87Å; G40-R97 PolarHBondContact O-NH2 3.46Å
41D91.2Very high95.1Very high80 Ų8044.8 Ų44.843%0.42824%0.239SC..  trans-113.9-49.5179.458.6-26.1000111Q39 R80 R97Q39-D41 PolarHBondContact O-N 3.49Å; D41-R80 IonicContact OD1-CZ 3.78Å; D41-R80 IonicContact OD1-NH2 2.64Å; D41-R80 PolarHBondContact OD1-NH2 2.78Å; D41-R97 VanDerWaalsContact O-CB 3.31Å; D41-R97 WeakPolarHBondContact O-CB 3.33Å; D41-R97 PolarHBondContact O-N 3.38Å
42N95Very high94.9Very high23 Ų2342.1 Ų42.112%0.12323%0.227CC..EExtended strand (participates in β ladder)trans-129.4152.4-173.1-62.2-57.1000113Y44 R80 A94 L95 D96N42-Y44 HydrophobicContact CB-CE1 4.09Å; N42-Y44 HydrophobicContact CB-CE2 3.82Å; N42-Y44 WeakPolarHBondContact O-CE2 3.49Å; N42-R80 PolarHBondContact O-NH1 2.94Å; N42-R80 VanDerWaalsContact O-NH1 3.14Å; N42-R80 PolarHBondContact O-NH2 3.4Å; N42-A94 HydrophobicContact CB-CB 4.36Å; N42-L95 CarbonylContact C-O 3.6Å; N42-L95 WeakPolarHBondContact CA-O 3.45Å; N42-D96 WeakPolarHBondContact OD1-CA 3.24Å
43F92.1Very high94.6Very high0 Ų041.3 Ų41.30%022%0.222CC..EExtended strand (participates in β ladder)trans-97.3146.4162.1162.8-104.6000108.7L6 F7 V45 S68 F69 E71 L74 A94 L95 Y100L6-F43 HydrophobicContact CD1-CE2 3.42Å; L6-F43 VanDerWaalsContact CD1-CE2 3.42Å; L6-F43 HydrophobicContact CD1-CZ 3.4Å; F7-F43 HydrophobicContact CE1-CE1 4.25Å; F7-F43 AromaticContact CZ-CE1 3.93Å; F7-F43 HydrophobicContact CZ-CE1 3.93Å; F43-V45 HydrophobicContact CD1-CG2 4.49Å; F43-V45 HydrophobicContact CE1-CG2 3.49Å; F43-V45 VanDerWaalsContact CE1-CG2 3.49Å; F43-V45 HydrophobicContact CZ-CG2 3.69Å; F43-S68 VanDerWaalsContact CZ-CB 3.42Å; F43-F69 VanDerWaalsContact CD2-O 3.31Å; F43-F69 WeakPolarHBondContact CD2-O 3.42Å; F43-E71 HydrophobicContact CD2-CB 3.7Å; F43-E71 HydrophobicContact CE2-CB 4.16Å; F43-L74 HydrophobicContact CB-CD2 3.59Å; F43-A94 CarbonylContact O-C 3.48Å; F43-A94 VanDerWaalsContact O-CA 3.24Å; F43-A94 WeakPolarHBondContact O-CA 3.3Å; F43-L95 HydrophobicContact CB-CB 4.46Å; F43-L95 HydrophobicContact CD1-CB 4.1Å; F43-L95 PolarHBondContact N-O 3.43Å; F43-L95 PolarHBondContact O-N 2.94Å; F43-Y100 HydrophobicContact CB-CD2 3.57Å; F43-Y100 HydrophobicContact CB-CE2 3.97Å; F43-Y100 HydrophobicContact CB-CG 4.45Å; F43-Y100 AromaticContact CD1-CD2 3.97Å; F43-Y100 HydrophobicContact CD1-CD2 3.97Å; F43-Y100 HydrophobicContact CD1-CE2 4.06Å; F43-Y100 HydrophobicContact CD2-CD2 4.41Å; F43-Y100 AromaticContact CD2-CE2 3.96Å; F43-Y100 HydrophobicContact CD2-CE2 3.96Å; F43-Y100 HydrophobicContact CE2-CE2 4.45Å; F43-Y100 AromaticContact CG-CD2 3.73Å; F43-Y100 HydrophobicContact CG-CD2 3.73Å; F43-Y100 AromaticContact CG-CE2 3.72Å; F43-Y100 HydrophobicContact CG-CE2 3.72Å
44Y94.3Very high94.3Very high12 Ų1242.5 Ų42.55%0.04723%0.227CC..EExtended strand (participates in β ladder)trans-129.7144-175.4-57.7-88.6000112.4I33 I34 N42 S68 F69 L92 W93 A94I33-Y44 HydrophobicContact CG2-CE1 4.3Å; I33-Y44 HydrophobicContact CG2-CE2 4.38Å; I34-Y44 HydrophobicContact CD1-CD2 4.04Å; I34-Y44 HydrophobicContact CD1-CE2 3.9Å; I34-Y44 HydrophobicContact CG1-CD2 4.49Å; I34-Y44 HydrophobicContact CG1-CE2 3.95Å; N42-Y44 HydrophobicContact CB-CE1 4.09Å; N42-Y44 HydrophobicContact CB-CE2 3.82Å; N42-Y44 WeakPolarHBondContact O-CE2 3.49Å; Y44-S68 CarbonylContact O-C 3.58Å; Y44-S68 WeakPolarHBondContact O-CA 3.18Å; Y44-S68 WeakPolarHBondContact O-CB 3.34Å; Y44-F69 VanDerWaalsContact CB-CZ 3.49Å; Y44-F69 AromaticContact CD2-CD2 3.81Å; Y44-F69 HydrophobicContact CD2-CD2 3.81Å; Y44-F69 AromaticContact CD2-CE2 3.39Å; Y44-F69 HydrophobicContact CD2-CE2 3.39Å; Y44-F69 HydrophobicContact CD2-CZ 4.15Å; Y44-F69 HydrophobicContact CE2-CE2 4.23Å; Y44-F69 HydrophobicContact CG-CD2 4.27Å; Y44-F69 AromaticContact CG-CE2 3.62Å; Y44-F69 HydrophobicContact CG-CE2 3.62Å; Y44-F69 AromaticContact CG-CZ 3.89Å; Y44-F69 HydrophobicContact CG-CZ 3.89Å; Y44-F69 PolarHBondContact N-O 3.33Å; Y44-F69 PolarHBondContact O-N 2.93Å; Y44-L92 HydrophobicContact CD1-CB 4.26Å; Y44-L92 HydrophobicContact CD1-CD1 3.77Å; Y44-L92 HydrophobicContact CE1-CD1 4.33Å; Y44-L92 HydrophobicContact CG-CD1 4.33Å; Y44-W93 CarbonylContact C-O 3.51Å; Y44-W93 VanDerWaalsContact CA-O 3.32Å; Y44-W93 WeakPolarHBondContact CA-O 3.24Å; Y44-A94 HydrophobicContact CD1-CB 3.8Å; Y44-A94 HydrophobicContact CE1-CB 3.76Å
45V92.7Very high93.8Very high1 Ų144.2 Ų44.21%0.00624%0.238CC..EExtended strand (participates in β ladder)trans-121.7131.2168.5-177.70000108.9M1 N4 F7 M22 F43 D47 L92 W93M1-V45 HydrophobicContact CG-CG1 4.32Å; N4-V45 HydrophobicContact CB-CG1 4.31Å; F7-V45 HydrophobicContact CE2-CG2 3.89Å; F7-V45 HydrophobicContact CZ-CG2 3.85Å; M22-V45 HydrophobicContact CE-CB 4.17Å; M22-V45 HydrophobicContact CE-CG2 3.73Å; F43-V45 HydrophobicContact CD1-CG2 4.49Å; F43-V45 HydrophobicContact CE1-CG2 3.49Å; F43-V45 VanDerWaalsContact CE1-CG2 3.49Å; F43-V45 HydrophobicContact CZ-CG2 3.69Å; V45-D47 PolarHBondContact O-N 3.01Å; V45-L92 CarbonylContact O-C 3.59Å; V45-L92 VanDerWaalsContact O-CA 3.27Å; V45-L92 WeakPolarHBondContact O-CA 3.45Å; V45-W93 PolarHBondContact N-O 2.87Å; V45-W93 PolarHBondContact O-N 3.11Å
46I94.2Very high93.5Very high0 Ų043.2 Ų43.20%024%0.243CC..EExtended strand (participates in β ladder)trans-77.5115.9177.4-56.1-173.1000109.7S48 G49 A51 I63 H66 G67 F69 L92I46-S48 WeakPolarHBondContact CG2-O 3.41Å; I46-G49 WeakPolarHBondContact CG2-O 3.25Å; I46-A51 HydrophobicContact CD1-CB 4.01Å; I46-I63 HydrophobicContact CD1-CB 3.92Å; I46-I63 HydrophobicContact CD1-CG2 3.63Å; I46-I63 WeakPolarHBondContact CD1-O 3.45Å; I46-I63 HydrophobicContact CG1-CG2 4.37Å; I46-H66 WeakPolarHBondContact O-CA 3.42Å; I46-H66 PolarHBondContact O-N 3.48Å; I46-G67 PolarHBondContact N-O 3.37Å; I46-F69 HydrophobicContact CD1-CE1 4.13Å; I46-F69 HydrophobicContact CG1-CD1 4.4Å; I46-F69 HydrophobicContact CG1-CE1 3.84Å; I46-L92 HydrophobicContact CB-CD2 4.34Å; I46-L92 HydrophobicContact CG1-CD2 3.81Å
47D94.7Very high93.3Very high61 Ų6147.1 Ų47.133%0.32627%0.266SS..EExtended strand (participates in β ladder)trans-81.3-42.4170.2-17262000111.5V45 Q65 K91V45-D47 PolarHBondContact O-N 3.01Å; D47-Q65 WeakPolarHBondContact O-CG 3.24Å; D47-Q65 PolarHBondContact O-NE2 2.87Å; D47-K91 HydrophobicContact CB-CB 4.18Å; D47-K91 WeakPolarHBondContact CB-O 3.47Å; D47-K91 PolarHBondContact N-O 2.88Å
48S96.4Very high93Very high39 Ų3952.3 Ų52.327%0.27327%0.274SS..EExtended strand (participates in β ladder)trans-152.3153.9173.357.40000111.9I46 V90 K91I46-S48 WeakPolarHBondContact CG2-O 3.41Å; S48-V90 VanDerWaalsContact O-CA 3.29Å; S48-V90 WeakPolarHBondContact O-CA 3.31Å; S48-K91 PolarHBondContact N-O 2.88Å; S48-K91 PolarHBondContact O-N 2.89Å; S48-K91 WeakPolarHBondContact OG-CB 3.46Å; S48-K91 WeakPolarHBondContact OG-CG 3.14Å
49G96.7Very high92.6Very high23 Ų2352.3 Ų52.324%0.23727%0.273CS..SBendtrans91.6-168.5-177.900000114.5I46 Q65 T88I46-G49 WeakPolarHBondContact CG2-O 3.25Å; G49-Q65 PolarHBondContact O-N 2.88Å; G49-T88 WeakPolarHBondContact CA-OG1 3.36Å
50E96.9Very high92Very high50 Ų5048.3 Ų48.323%0.23426%0.26CS..  trans-133.8147.1-180-59-172.9175.300111.1T62 I63 K64 K87 T88 V90E50-T62 HydrophobicContact CB-CG2 4.03Å; E50-I63 CarbonylContact C-O 3.55Å; E50-I63 WeakPolarHBondContact CA-O 3.31Å; E50-K64 HydrophobicContact CG-CG 4.21Å; E50-K87 HydrophobicContact CB-CB 4.19Å; E50-K87 HydrophobicContact CB-CD 4.13Å; E50-K87 WeakPolarHBondContact O-CB 3.26Å; E50-K87 PolarHBondContact O-N 3.47Å; E50-K87 WeakPolarHBondContact OE2-CD 3.38Å; E50-K87 WeakPolarHBondContact OE2-CE 3.27Å; E50-K87 IonicContact OE2-NZ 3.76Å; E50-K87 PolarHBondContact OE2-NZ 3.36Å; E50-T88 PolarHBondContact N-OG1 2.61Å; E50-T88 PolarHBondContact O-N 3.38Å; E50-V90 WeakPolarHBondContact O-CG1 3.25Å
51A96.7Very high91.8Very high0 Ų050.9 Ų50.90%028%0.275CS..EExtended strand (participates in β ladder)trans-129.3134.2175.700000111.5I33 I46 T62 I63 F69 V84 K85I33-A51 HydrophobicContact CD1-CB 4.21Å; I46-A51 HydrophobicContact CD1-CB 4.01Å; A51-T62 CarbonylContact O-C 3.44Å; A51-T62 WeakPolarHBondContact O-CA 3.5Å; A51-I63 PolarHBondContact N-O 3.29Å; A51-I63 PolarHBondContact O-N 2.97Å; A51-F69 HydrophobicContact CB-CE1 4.48Å; A51-V84 HydrophobicContact CB-CG1 3.8Å; A51-K85 CarbonylContact C-O 3.57Å; A51-K85 VanDerWaalsContact CA-O 3.23Å; A51-K85 WeakPolarHBondContact CA-O 3.16Å
52D95.5Very high91.8Very high27 Ų2748.9 Ų48.914%0.14427%0.266CS..EExtended strand (participates in β ladder)trans-92.8136176.9-76.2-27.2000111.1F54 L59 T62 V84 K85D52-F54 HydrophobicContact CB-CD2 4.33Å; D52-F54 HydrophobicContact CB-CE2 3.42Å; D52-F54 VanDerWaalsContact CB-CE2 3.42Å; D52-F54 HydrophobicContact CB-CZ 3.74Å; D52-L59 HydrophobicContact CB-CD1 3.68Å; D52-T62 WeakPolarHBondContact OD1-CB 3.47Å; D52-T62 WeakPolarHBondContact OD1-CG2 3.44Å; D52-T62 PolarHBondContact OD1-OG1 3.36Å; D52-V84 WeakPolarHBondContact O-CA 3.23Å; D52-K85 PolarHBondContact N-O 2.77Å; D52-K85 PolarHBondContact O-N 3.23Å
53V92.2Very high91.5Very high18 Ų1848.5 Ų48.511%0.10926%0.264CS..EExtended strand (participates in β ladder)trans-107.2125.1179.5-174.60000109.5T60 T61 I63 A82 T83 V84V53-T60 PolarHBondContact O-N 3.04Å; V53-T61 HydrophobicContact CB-CG2 3.88Å; V53-T61 HydrophobicContact CG2-CG2 3.87Å; V53-T61 PolarHBondContact N-O 2.62Å; V53-I63 HydrophobicContact CG2-CD1 3.6Å; V53-I63 HydrophobicContact CG2-CG1 3.84Å; V53-A82 HydrophobicContact CG1-CB 3.6Å; V53-T83 WeakPolarHBondContact CA-O 3.47Å; V53-V84 HydrophobicContact CG2-CG2 4.28Å
54F90.3Very high91.4Very high42 Ų4254.6 Ų54.618%0.18429%0.29CS..EExtended strand (participates in β ladder)trans-119.3127.6-179.6-57.1-97.4000110.8D52 K58 L59 A82 T83 K85D52-F54 HydrophobicContact CB-CD2 4.33Å; D52-F54 HydrophobicContact CB-CE2 3.42Å; D52-F54 VanDerWaalsContact CB-CE2 3.42Å; D52-F54 HydrophobicContact CB-CZ 3.74Å; F54-K58 CarbonylContact C-O 3.59Å; F54-K58 VanDerWaalsContact CA-O 3.23Å; F54-K58 WeakPolarHBondContact CA-O 3.35Å; F54-L59 HydrophobicContact CD1-CB 4.09Å; F54-L59 HydrophobicContact CD1-CD1 4.34Å; F54-L59 HydrophobicContact CE1-CB 3.91Å; F54-L59 HydrophobicContact CE1-CD1 3.92Å; F54-L59 HydrophobicContact CE2-CD1 4.4Å; F54-L59 HydrophobicContact CZ-CD1 3.95Å; F54-A82 CarbonylContact O-C 3.49Å; F54-A82 WeakPolarHBondContact O-CA 3.37Å; F54-A82 WeakPolarHBondContact O-CB 3.3Å; F54-T83 PolarHBondContact N-O 3.18Å; F54-T83 PolarHBondContact O-N 3.27Å; F54-K85 HydrophobicContact CD2-CD 4.37Å; F54-K85 HydrophobicContact CD2-CG 4.23Å; F54-K85 HydrophobicContact CE2-CB 4.13Å; F54-K85 HydrophobicContact CE2-CD 3.98Å; F54-K85 HydrophobicContact CE2-CG 4.02Å
55V87.7Confident91.2Very high46 Ų4659 Ų5928%0.27931%0.311SS..EExtended strand (participates in β ladder)trans-111.3123.3169.1-179.90000107.9N57 K58 A82V55-N57 PolarHBondContact O-N 3.48Å; V55-K58 PolarHBondContact N-O 2.99Å; V55-K58 WeakPolarHBondContact O-CB 3.38Å; V55-K58 PolarHBondContact O-N 3.28Å; V55-A82 HydrophobicContact CG2-CB 3.78Å
56N90.7Very high90.8Very high121 Ų12161.3 Ų61.365%0.64732%0.322SS*.THydrogen-bonded Turntrans51.343.7-177.3-57.3-34.1000112.4Q36 K58Q36-N56 PolarHBondContact NE2-OD1 3.31Å; N56-K58 PolarHBondContact O-N 2.99Å; N56-K58 VanDerWaalsContact O-N 3.11Å
57N91.3Very high90.4Very high147 Ų14761.8 Ų61.879%0.78633%0.327SS*.THydrogen-bonded Turntrans63.73.4-176.4-56.8-43.3000116.3V55V55-N57 PolarHBondContact O-N 3.48Å
58K87.6Confident90.1Very high161 Ų16160.1 Ų60.170%0.732%0.32SS*.EExtended strand (participates in β ladder)trans-91.5129.5171.6-172.2-177.9176.2-171.80109.3F54 V55 N56 T60F54-K58 CarbonylContact C-O 3.59Å; F54-K58 VanDerWaalsContact CA-O 3.23Å; F54-K58 WeakPolarHBondContact CA-O 3.35Å; V55-K58 PolarHBondContact N-O 2.99Å; V55-K58 WeakPolarHBondContact O-CB 3.38Å; V55-K58 PolarHBondContact O-N 3.28Å; N56-K58 PolarHBondContact O-N 2.99Å; N56-K58 VanDerWaalsContact O-N 3.11Å; K58-T60 PolarHBondContact O-N 3.44Å
59L87.2Confident89.7Confident85 Ų8558.6 Ų58.645%0.44531%0.309SS..EExtended strand (participates in β ladder)trans-63.1122.5172-179.966.7000109.1D52 F54D52-L59 HydrophobicContact CB-CD1 3.68Å; F54-L59 HydrophobicContact CD1-CB 4.09Å; F54-L59 HydrophobicContact CD1-CD1 4.34Å; F54-L59 HydrophobicContact CE1-CB 3.91Å; F54-L59 HydrophobicContact CE1-CD1 3.92Å; F54-L59 HydrophobicContact CE2-CD1 4.4Å; F54-L59 HydrophobicContact CZ-CD1 3.95Å
60T81.5Confident89.4Confident76 Ų7658.1 Ų58.147%0.46630%0.304SS..EExtended strand (participates in β ladder)trans-102.1-43.7-179.8-56.20000111V53 K58V53-T60 PolarHBondContact O-N 3.04Å; K58-T60 PolarHBondContact O-N 3.44Å
61T83.6Confident88.8Confident57 Ų5756.6 Ų56.635%0.3530%0.297SS..EExtended strand (participates in β ladder)trans-161.9164.7-179.3-168.60000111.9V53V53-T61 HydrophobicContact CB-CG2 3.88Å; V53-T61 HydrophobicContact CG2-CG2 3.87Å; V53-T61 PolarHBondContact N-O 2.62Å
62T89.6Confident87.9Confident37 Ų3758.4 Ų58.423%0.22731%0.306CS..EExtended strand (participates in β ladder)trans-115.3124.4169.5-56.40000109.1E50 A51 D52 K87E50-T62 HydrophobicContact CB-CG2 4.03Å; A51-T62 CarbonylContact O-C 3.44Å; A51-T62 WeakPolarHBondContact O-CA 3.5Å; D52-T62 WeakPolarHBondContact OD1-CB 3.47Å; D52-T62 WeakPolarHBondContact OD1-CG2 3.44Å; D52-T62 PolarHBondContact OD1-OG1 3.36Å; T62-K87 HydrophobicContact CG2-CD 3.92Å
63I89.4Confident87.3Confident15 Ų1557.3 Ų57.38%0.07730%0.3CS..EExtended strand (participates in β ladder)trans-92.8123.5176.2-52.4178.4000108.1I46 E50 A51 V53 F69I46-I63 HydrophobicContact CD1-CB 3.92Å; I46-I63 HydrophobicContact CD1-CG2 3.63Å; I46-I63 WeakPolarHBondContact CD1-O 3.45Å; I46-I63 HydrophobicContact CG1-CG2 4.37Å; E50-I63 CarbonylContact C-O 3.55Å; E50-I63 WeakPolarHBondContact CA-O 3.31Å; A51-I63 PolarHBondContact N-O 3.29Å; A51-I63 PolarHBondContact O-N 2.97Å; V53-I63 HydrophobicContact CG2-CD1 3.6Å; V53-I63 HydrophobicContact CG2-CG1 3.84Å; I63-F69 HydrophobicContact CD1-CB 3.62Å; I63-F69 HydrophobicContact CD1-CD1 3.84Å; I63-F69 HydrophobicContact CD1-CG 4.05Å
64K90.1Very high87Confident128 Ų12856.4 Ų56.456%0.55730%0.295SS*.  trans-96.9179.2178.5-62.4-174.7176178.60111.4E50 H66 G67E50-K64 HydrophobicContact CG-CG 4.21Å; K64-H66 PolarHBondContact O-N 2.97Å; K64-G67 WeakPolarHBondContact O-CA 3.33Å; K64-G67 PolarHBondContact O-N 2.79Å
65Q89.7Confident86.4Confident105 Ų10554.8 Ų54.849%0.49129%0.288SS..THydrogen-bonded Turntrans-43.7138.5174.7-161.7178.96.700112.6D47 G49 G67D47-Q65 WeakPolarHBondContact O-CG 3.24Å; D47-Q65 PolarHBondContact O-NE2 2.87Å; G49-Q65 PolarHBondContact O-N 2.88Å; Q65-G67 PolarHBondContact O-N 3.37Å; Q65-G67 VanDerWaalsContact O-N 3.15Å
66H85.1Confident85.9Confident49 Ų4956.6 Ų56.623%0.22729%0.291CS..THydrogen-bonded Turntrans68.9-8.5-174.7-47.4109.4000115.8Q3 N4 I46 K64Q3-H66 HydrophobicContact CB-CB 4.36Å; Q3-H66 PolarHBondContact OE1-CE1 3.08Å; Q3-H66 PolarHBondContact OE1-ND1 3.44Å; N4-H66 PolarHBondContact ND2-O 2.85Å; I46-H66 WeakPolarHBondContact O-CA 3.42Å; I46-H66 PolarHBondContact O-N 3.48Å; K64-H66 PolarHBondContact O-N 2.97Å
67G85.1Confident85.5Confident11 Ų1153.1 Ų53.111%0.11328%0.284CS..  trans-68162.2168.700000112.1I46 K64 Q65I46-G67 PolarHBondContact N-O 3.37Å; K64-G67 WeakPolarHBondContact O-CA 3.33Å; K64-G67 PolarHBondContact O-N 2.79Å; Q65-G67 PolarHBondContact O-N 3.37Å; Q65-G67 VanDerWaalsContact O-N 3.15Å
68S88.1Confident85.1Confident25 Ų2548.8 Ų48.818%0.17526%0.262CS..EExtended strand (participates in β ladder)trans-138.2159.2-179.150.60000112.5N4 L6 F43 Y44N4-S68 WeakPolarHBondContact ND2-CB 3.29Å; N4-S68 PolarHBondContact ND2-OG 2.71Å; L6-S68 WeakPolarHBondContact CD1-OG 3.3Å; F43-S68 VanDerWaalsContact CZ-CB 3.42Å; Y44-S68 CarbonylContact O-C 3.58Å; Y44-S68 WeakPolarHBondContact O-CA 3.18Å; Y44-S68 WeakPolarHBondContact O-CB 3.34Å
69F89.5Confident85.2Confident8 Ų844.9 Ų44.94%0.03525%0.254CS..EExtended strand (participates in β ladder)trans-158.1166.9-178.257.6-90.5000112.8I33 I34 F43 Y44 I46 A51 I63 E71 V84 L92I33-F69 HydrophobicContact CD1-CZ 4.04Å; I33-F69 HydrophobicContact CG2-CE2 3.92Å; I33-F69 HydrophobicContact CG2-CZ 4.07Å; I34-F69 HydrophobicContact CD1-CD2 3.62Å; I34-F69 HydrophobicContact CD1-CE2 3.88Å; I34-F69 HydrophobicContact CG1-CE2 4.39Å; F43-F69 VanDerWaalsContact CD2-O 3.31Å; F43-F69 WeakPolarHBondContact CD2-O 3.42Å; Y44-F69 VanDerWaalsContact CB-CZ 3.49Å; Y44-F69 AromaticContact CD2-CD2 3.81Å; Y44-F69 HydrophobicContact CD2-CD2 3.81Å; Y44-F69 AromaticContact CD2-CE2 3.39Å; Y44-F69 HydrophobicContact CD2-CE2 3.39Å; Y44-F69 HydrophobicContact CD2-CZ 4.15Å; Y44-F69 HydrophobicContact CE2-CE2 4.23Å; Y44-F69 HydrophobicContact CG-CD2 4.27Å; Y44-F69 AromaticContact CG-CE2 3.62Å; Y44-F69 HydrophobicContact CG-CE2 3.62Å; Y44-F69 AromaticContact CG-CZ 3.89Å; Y44-F69 HydrophobicContact CG-CZ 3.89Å; Y44-F69 PolarHBondContact N-O 3.33Å; Y44-F69 PolarHBondContact O-N 2.93Å; I46-F69 HydrophobicContact CD1-CE1 4.13Å; I46-F69 HydrophobicContact CG1-CD1 4.4Å; I46-F69 HydrophobicContact CG1-CE1 3.84Å; A51-F69 HydrophobicContact CB-CE1 4.48Å; I63-F69 HydrophobicContact CD1-CB 3.62Å; I63-F69 HydrophobicContact CD1-CD1 3.84Å; I63-F69 HydrophobicContact CD1-CG 4.05Å; F69-E71 WeakPolarHBondContact CA-OE2 3.23Å; F69-V84 HydrophobicContact CD2-CB 4.28Å; F69-V84 HydrophobicContact CD2-CG1 4.04Å; F69-V84 HydrophobicContact CD2-CG2 3.97Å; F69-V84 HydrophobicContact CE1-CG1 4.38Å; F69-V84 HydrophobicContact CE2-CB 4.21Å; F69-V84 HydrophobicContact CE2-CG1 3.84Å; F69-V84 HydrophobicContact CE2-CG2 4.39Å; F69-V84 HydrophobicContact CG-CG1 4.39Å; F69-V84 HydrophobicContact CG-CG2 4.48Å; F69-V84 HydrophobicContact CZ-CG1 4.03Å; F69-L92 HydrophobicContact CE1-CD2 4.13Å; F69-L92 HydrophobicContact CZ-CD1 4.07Å; F69-L92 HydrophobicContact CZ-CD2 4.11Å
70G89.4Confident85.5Confident13 Ų1341.4 Ų41.413%0.13424%0.235CC..  trans92.30.6172.200000114.9L72 R80G70-L72 PolarHBondContact O-N 2.81Å; G70-R80 PolarHBondContact O-NH1 3.02Å
71E84.1Confident85.7Confident18 Ų1839.1 Ų39.18%0.08422%0.224CC..  trans-74.1-24.4-177.875.6-59.1155.300114.3F43 F69 A73 L74 I75 Y100 R112F43-E71 HydrophobicContact CD2-CB 3.7Å; F43-E71 HydrophobicContact CE2-CB 4.16Å; F69-E71 WeakPolarHBondContact CA-OE2 3.23Å; E71-A73 PolarHBondContact O-N 2.89Å; E71-L74 WeakPolarHBondContact O-CB 3.24Å; E71-L74 PolarHBondContact O-N 3.38Å; E71-I75 HydrophobicContact CB-CD1 4.22Å; E71-I75 HydrophobicContact CG-CD1 4.02Å; E71-I75 WeakPolarHBondContact O-CG1 3.4Å; E71-I75 PolarHBondContact O-N 3.11Å; E71-Y100 HydrophobicContact CB-CE1 4.5Å; E71-Y100 HydrophobicContact CB-CE2 3.96Å; E71-Y100 WeakPolarHBondContact CB-OH 3.27Å; E71-R112 IonicContact OE1-CZ 3.42Å; E71-R112 IonicContact OE1-NH1 3.14Å; E71-R112 IonicContact OE1-NH2 2.86Å; E71-R112 PolarHBondContact OE1-NH2 3.15Å
72L77.3Confident86.1Confident38 Ų3837.2 Ų37.220%0.19921%0.214CC..Hα-helixtrans-61.1-46-174.6-64.7164.8000112.8G70 L74 I75 Y76 R112 W131 L134G70-L72 PolarHBondContact O-N 2.81Å; L72-L74 PolarHBondContact O-N 2.75Å; L72-I75 PolarHBondContact O-N 2.79Å; L72-Y76 HydrophobicContact CD2-CD2 4.37Å; L72-Y76 HydrophobicContact CD2-CE2 3.91Å; L72-Y76 WeakPolarHBondContact O-CD2 3.45Å; L72-Y76 PolarHBondContact O-N 2.92Å; L72-R112 VanDerWaalsContact CD2-NH1 3.31Å; L72-W131 HydrophobicContact CB-CZ3 4.15Å; L72-W131 HydrophobicContact CD1-CE3 3.59Å; L72-W131 HydrophobicContact CD1-CZ3 3.55Å; L72-W131 HydrophobicContact CD2-CE3 4.25Å; L72-W131 HydrophobicContact CD2-CZ3 3.97Å; L72-W131 HydrophobicContact CG-CE3 4.44Å; L72-W131 HydrophobicContact CG-CZ3 4.08Å; L72-L134 HydrophobicContact CD2-CD1 4.27Å
73A84.7Confident86.4Confident3 Ų336.4 Ų36.43%0.02521%0.209CC..Hα-helixtrans-66-23.3178.300000112.5E71 G77 T78 R97E71-A73 PolarHBondContact O-N 2.89Å; A73-G77 WeakPolarHBondContact O-CA 3.46Å; A73-G77 PolarHBondContact O-N 3.46Å; A73-T78 WeakPolarHBondContact CA-O 3.22Å; A73-T78 VanDerWaalsContact CB-O 3.25Å; A73-T78 WeakPolarHBondContact CB-O 3.49Å; A73-R97 PolarHBondContact O-NH1 2.91Å; A73-R97 PolarHBondContact O-NH2 2.68Å
74L85.9Confident86.7Confident0 Ų036 Ų360%021%0.207CC..Hα-helixtrans-82.9-38.5-179.5-75.632.8000110.5F43 E71 L72 R97 Y100F43-L74 HydrophobicContact CB-CD2 3.59Å; E71-L74 WeakPolarHBondContact O-CB 3.24Å; E71-L74 PolarHBondContact O-N 3.38Å; L72-L74 PolarHBondContact O-N 2.75Å; L74-R97 HydrophobicContact CG-CB 4.19Å; L74-R97 HydrophobicContact CG-CG 4.26Å; L74-Y100 HydrophobicContact CB-CD1 3.98Å; L74-Y100 HydrophobicContact CB-CE1 4.38Å; L74-Y100 HydrophobicContact CB-CG 4.47Å; L74-Y100 HydrophobicContact CD2-CD1 4.37Å; L74-Y100 HydrophobicContact CD2-CD2 4.29Å; L74-Y100 HydrophobicContact CD2-CG 4.07Å
75I76.7Confident87.1Confident7 Ų733.6 Ų33.64%0.03620%0.197CC..Hα-helixtrans-75.1-53179.2-70.1164.1000111.7E71 L72 Y100 T108 M109E71-I75 HydrophobicContact CB-CD1 4.22Å; E71-I75 HydrophobicContact CG-CD1 4.02Å; E71-I75 WeakPolarHBondContact O-CG1 3.4Å; E71-I75 PolarHBondContact O-N 3.11Å; L72-I75 PolarHBondContact O-N 2.79Å; I75-Y100 HydrophobicContact CD1-CE1 4.18Å; I75-Y100 HydrophobicContact CG1-CE1 3.8Å; I75-T108 HydrophobicContact CD1-CG2 3.87Å; I75-M109 HydrophobicContact CG2-CG 3.74Å; I75-M109 HydrophobicContact CG2-SD 4.25Å
76Y78.4Confident87.5Confident84 Ų8428.7 Ų28.733%0.32917%0.174SC..SBendtrans-90.5-8.7-172.9-61.2-65.2000113.6L72 T78 L134L72-Y76 HydrophobicContact CD2-CD2 4.37Å; L72-Y76 HydrophobicContact CD2-CE2 3.91Å; L72-Y76 WeakPolarHBondContact O-CD2 3.45Å; L72-Y76 PolarHBondContact O-N 2.92Å; Y76-T78 PolarHBondContact O-N 2.99Å; Y76-L134 HydrophobicContact CE2-CD1 4.03Å
77G81.2Confident88.2Confident49 Ų4930.8 Ų30.851%0.50518%0.182SC..  trans6616.3-175.900000113.6A73A73-G77 WeakPolarHBondContact O-CA 3.46Å; A73-G77 PolarHBondContact O-N 3.46Å
78T82.1Confident88.8Confident55 Ų5532.9 Ų32.934%0.33719%0.193SC..PPolyproline II helixtrans-85.8162.9177.3600000111.4A73 Y76A73-T78 WeakPolarHBondContact CA-O 3.22Å; A73-T78 VanDerWaalsContact CB-O 3.25Å; A73-T78 WeakPolarHBondContact CB-O 3.49Å; Y76-T78 PolarHBondContact O-N 2.99Å
79P91Very high89.3Confident80 Ų8034.3 Ų34.352%0.51921%0.207SC..BIsolated β-bridgetrans-55.4161.9163-24.935.6000112.7D38 A81D38-P79 CarbonylContact O-C 3.44Å; D38-P79 VanDerWaalsContact O-CA 3.29Å; D38-P79 WeakPolarHBondContact O-CA 3.31Å; P79-A81 PolarHBondContact O-N 2.84Å
80R93.8Very high89.7Confident11 Ų1134.1 Ų34.14%0.04221%0.206CC..PPolyproline II helixtrans-57.7120175.3-67-66.6-160.6-1741.5109.7I34 R35 Q36 G37 D38 D41 N42 G70 A82I34-R80 HydrophobicContact CG2-CB 3.8Å; I34-R80 VanDerWaalsContact CG2-CD 3.41Å; I34-R80 HydrophobicContact CG2-CG 3.56Å; R35-R80 WeakPolarHBondContact O-CB 3.48Å; Q36-R80 CarbonylContact C-O 3.5Å; Q36-R80 WeakPolarHBondContact CA-O 3.47Å; Q36-R80 WeakPolarHBondContact CG-O 3.41Å; G37-R80 PolarHBondContact N-O 2.83Å; D38-R80 HydrophobicContact CB-CG 4.18Å; D38-R80 VanDerWaalsContact O-CG 3.3Å; D38-R80 WeakPolarHBondContact O-CG 3.43Å; D38-R80 PolarHBondContact O-N 2.81Å; D41-R80 IonicContact OD1-CZ 3.78Å; D41-R80 IonicContact OD1-NH2 2.64Å; D41-R80 PolarHBondContact OD1-NH2 2.78Å; N42-R80 PolarHBondContact O-NH1 2.94Å; N42-R80 VanDerWaalsContact O-NH1 3.14Å; N42-R80 PolarHBondContact O-NH2 3.4Å; G70-R80 PolarHBondContact O-NH1 3.02Å; R80-A82 VanDerWaalsContact C-N 3.32Å; R80-A82 PolarHBondContact O-N 2.86Å
81A85.9Confident90.1Very high29 Ų2938 Ų3824%0.2422%0.219CC..SBendtrans-76.1-19.4-176.400000113.9P79 W131P79-A81 PolarHBondContact O-N 2.84Å; A81-W131 HydrophobicContact CB-CE3 4.44Å; A81-W131 HydrophobicContact CB-CH2 3.56Å; A81-W131 HydrophobicContact CB-CZ2 3.69Å; A81-W131 HydrophobicContact CB-CZ3 3.97Å
82A90.9Very high90.7Very high17 Ų1737.3 Ų37.314%0.1422%0.216CC..SBendtrans-144.3158.4-176.900000110.5I34 Q36 V53 F54 V55 R80I34-A82 WeakPolarHBondContact CG2-O 3.47Å; Q36-A82 PolarHBondContact N-O 3.14Å; V53-A82 HydrophobicContact CG1-CB 3.6Å; F54-A82 CarbonylContact O-C 3.49Å; F54-A82 WeakPolarHBondContact O-CA 3.37Å; F54-A82 WeakPolarHBondContact O-CB 3.3Å; V55-A82 HydrophobicContact CG2-CB 3.78Å; R80-A82 VanDerWaalsContact C-N 3.32Å; R80-A82 PolarHBondContact O-N 2.86Å
83T95.4Very high91.6Very high20 Ų2039.2 Ų39.212%0.12322%0.221CC..EExtended strand (participates in β ladder)trans-89.6134.5166.5-61.60000108.3V32 I34 Q36 V53 F54 K85V32-T83 HydrophobicContact CG1-CG2 3.85Å; I34-T83 CarbonylContact O-C 3.52Å; I34-T83 WeakPolarHBondContact O-CA 3.18Å; I34-T83 VanDerWaalsContact O-CG2 3.28Å; I34-T83 WeakPolarHBondContact O-CG2 3.41Å; Q36-T83 WeakPolarHBondContact CB-OG1 3.4Å; Q36-T83 PolarHBondContact N-OG1 3.43Å; V53-T83 WeakPolarHBondContact CA-O 3.47Å; F54-T83 PolarHBondContact N-O 3.18Å; F54-T83 PolarHBondContact O-N 3.27Å; T83-K85 HydrophobicContact CG2-CG 4Å
84V97Very high92.2Very high6 Ų639 Ų394%0.03622%0.219CC..EExtended strand (participates in β ladder)trans-115.9125.8173.4-173.20000108.5I33 I34 A51 D52 V53 F69I33-V84 HydrophobicContact CD1-CG1 4.21Å; I33-V84 PolarHBondContact N-O 3.02Å; I34-V84 HydrophobicContact CB-CB 4.05Å; I34-V84 HydrophobicContact CB-CG2 4.1Å; I34-V84 HydrophobicContact CD1-CG2 4.17Å; I34-V84 PolarHBondContact N-O 3.49Å; I34-V84 PolarHBondContact O-N 2.72Å; A51-V84 HydrophobicContact CB-CG1 3.8Å; D52-V84 WeakPolarHBondContact O-CA 3.23Å; V53-V84 HydrophobicContact CG2-CG2 4.28Å; F69-V84 HydrophobicContact CD2-CB 4.28Å; F69-V84 HydrophobicContact CD2-CG1 4.04Å; F69-V84 HydrophobicContact CD2-CG2 3.97Å; F69-V84 HydrophobicContact CE1-CG1 4.38Å; F69-V84 HydrophobicContact CE2-CB 4.21Å; F69-V84 HydrophobicContact CE2-CG1 3.84Å; F69-V84 HydrophobicContact CE2-CG2 4.39Å; F69-V84 HydrophobicContact CG-CG1 4.39Å; F69-V84 HydrophobicContact CG-CG2 4.48Å; F69-V84 HydrophobicContact CZ-CG1 4.03Å
85K98.2Very high92.5Very high78 Ų7839 Ų3934%0.33922%0.219SC..EExtended strand (participates in β ladder)trans-120.3140.9178.5-57.2-170.6-178.7174.40110.6E31 V32 A51 D52 F54 T83 K87E31-K85 CarbonylContact O-C 3.56Å; E31-K85 VanDerWaalsContact O-CA 3.3Å; E31-K85 WeakPolarHBondContact O-CA 3.33Å; V32-K85 HydrophobicContact CG2-CD 4.24Å; V32-K85 HydrophobicContact CG2-CG 4.12Å; A51-K85 CarbonylContact C-O 3.57Å; A51-K85 VanDerWaalsContact CA-O 3.23Å; A51-K85 WeakPolarHBondContact CA-O 3.16Å; D52-K85 PolarHBondContact N-O 2.77Å; D52-K85 PolarHBondContact O-N 3.23Å; F54-K85 HydrophobicContact CD2-CD 4.37Å; F54-K85 HydrophobicContact CD2-CG 4.23Å; F54-K85 HydrophobicContact CE2-CB 4.13Å; F54-K85 HydrophobicContact CE2-CD 3.98Å; F54-K85 HydrophobicContact CE2-CG 4.02Å; T83-K85 HydrophobicContact CG2-CG 4Å; K85-K87 PolarHBondContact O-N 2.74Å
86A98.5Very high93.3Very high2 Ų241 Ų412%0.01723%0.23CC..EExtended strand (participates in β ladder)trans-64.8119.4171.400000109.2H27 Q28 N30 E31 I33 T88 V90H27-A86 HydrophobicContact CB-CB 4.08Å; Q28-A86 VanDerWaalsContact O-CB 3.27Å; Q28-A86 WeakPolarHBondContact O-CB 3.12Å; N30-A86 WeakPolarHBondContact CA-O 3.41Å; N30-A86 PolarHBondContact N-O 3.38Å; E31-A86 PolarHBondContact O-N 3.19Å; I33-A86 HydrophobicContact CD1-CB 4.2Å; I33-A86 HydrophobicContact CG1-CB 4.48Å; A86-T88 WeakPolarHBondContact CB-O 3.32Å; A86-V90 HydrophobicContact CB-CG1 4.25Å; A86-V90 HydrophobicContact CB-CG2 3.75Å
87K98.1Very high93.9Very high92 Ų9238.7 Ų38.740%0.422%0.221SC..SBendtrans-82.3-40.2176.5178.8-176.3173.4-167.40110.6E50 T62 K85E50-K87 HydrophobicContact CB-CB 4.19Å; E50-K87 HydrophobicContact CB-CD 4.13Å; E50-K87 WeakPolarHBondContact O-CB 3.26Å; E50-K87 PolarHBondContact O-N 3.47Å; E50-K87 WeakPolarHBondContact OE2-CD 3.38Å; E50-K87 WeakPolarHBondContact OE2-CE 3.27Å; E50-K87 IonicContact OE2-NZ 3.76Å; E50-K87 PolarHBondContact OE2-NZ 3.36Å; T62-K87 HydrophobicContact CG2-CD 3.92Å; K85-K87 PolarHBondContact O-N 2.74Å
88T98.4Very high94.3Very high55 Ų5541.8 Ų41.834%0.33723%0.226SC..SBendtrans-112.8-178.816864.70000109.4G49 E50 A86 V90G49-T88 WeakPolarHBondContact CA-OG1 3.36Å; E50-T88 PolarHBondContact N-OG1 2.61Å; E50-T88 PolarHBondContact O-N 3.38Å; A86-T88 WeakPolarHBondContact CB-O 3.32Å; T88-V90 PolarHBondContact O-N 2.88Å
89A98.4Very high94.7Very high56 Ų5639.7 Ų39.746%0.46321%0.213SC..  trans-57.4132.2157.800000108.5H27H27-A89 WeakPolarHBondContact O-CA 3.48Å
90V98.2Very high94.5Very high3 Ų335.9 Ų35.92%0.01819%0.188CC..EExtended strand (participates in β ladder)trans-124.8139.9-178.1-64.20000111E26 H27 I33 S48 E50 A86 T88 L92E26-V90 WeakPolarHBondContact CA-O 3.34Å; H27-V90 HydrophobicContact CB-CG2 3.66Å; H27-V90 PolarHBondContact N-O 3.11Å; H27-V90 PolarHBondContact O-N 3.23Å; I33-V90 HydrophobicContact CD1-CG2 4.05Å; S48-V90 VanDerWaalsContact O-CA 3.29Å; S48-V90 WeakPolarHBondContact O-CA 3.31Å; E50-V90 WeakPolarHBondContact O-CG1 3.25Å; A86-V90 HydrophobicContact CB-CG1 4.25Å; A86-V90 HydrophobicContact CB-CG2 3.75Å; T88-V90 PolarHBondContact O-N 2.88Å; V90-L92 HydrophobicContact CB-CD2 4.26Å; V90-L92 HydrophobicContact CG2-CD1 4.46Å; V90-L92 HydrophobicContact CG2-CD2 4.26Å; V90-L92 HydrophobicContact CG2-CG 4.23Å
91K98.1Very high94Very high96 Ų9640 Ų4042%0.41720%0.203SC..EExtended strand (participates in β ladder)trans-109.5129.3165-56.5-169.5177-136.80108.3E26 D47 S48E26-K91 HydrophobicContact CG-CG 4.18Å; E26-K91 WeakPolarHBondContact OE1-CD 3.3Å; E26-K91 WeakPolarHBondContact OE1-CE 3.29Å; E26-K91 IonicContact OE1-NZ 2.62Å; E26-K91 PolarHBondContact OE1-NZ 3.01Å; D47-K91 HydrophobicContact CB-CB 4.18Å; D47-K91 WeakPolarHBondContact CB-O 3.47Å; D47-K91 PolarHBondContact N-O 2.88Å; S48-K91 PolarHBondContact N-O 2.88Å; S48-K91 PolarHBondContact O-N 2.89Å; S48-K91 WeakPolarHBondContact OG-CB 3.46Å; S48-K91 WeakPolarHBondContact OG-CG 3.14Å
92L97.1Very high93.9Very high3 Ų347 Ų472%0.01622%0.224CC..EExtended strand (participates in β ladder)trans-123.4153.3-175.5-51.1173.6000109.8P24 V25 I33 Y44 V45 I46 F69 V90P24-L92 CarbonylContact C-O 3.47Å; P24-L92 WeakPolarHBondContact CA-O 3.34Å; V25-L92 HydrophobicContact CB-CB 4.29Å; V25-L92 PolarHBondContact N-O 3.42Å; V25-L92 WeakPolarHBondContact O-CB 3.31Å; V25-L92 PolarHBondContact O-N 2.85Å; I33-L92 HydrophobicContact CD1-CD1 4.14Å; I33-L92 HydrophobicContact CG2-CD1 3.78Å; Y44-L92 HydrophobicContact CD1-CB 4.26Å; Y44-L92 HydrophobicContact CD1-CD1 3.77Å; Y44-L92 HydrophobicContact CE1-CD1 4.33Å; Y44-L92 HydrophobicContact CG-CD1 4.33Å; V45-L92 CarbonylContact O-C 3.59Å; V45-L92 VanDerWaalsContact O-CA 3.27Å; V45-L92 WeakPolarHBondContact O-CA 3.45Å; I46-L92 HydrophobicContact CB-CD2 4.34Å; I46-L92 HydrophobicContact CG1-CD2 3.81Å; F69-L92 HydrophobicContact CE1-CD2 4.13Å; F69-L92 HydrophobicContact CZ-CD1 4.07Å; F69-L92 HydrophobicContact CZ-CD2 4.11Å; V90-L92 HydrophobicContact CB-CD2 4.26Å; V90-L92 HydrophobicContact CG2-CD1 4.46Å; V90-L92 HydrophobicContact CG2-CD2 4.26Å; V90-L92 HydrophobicContact CG2-CG 4.23Å
93W95.7Very high93.4Very high77 Ų7747.1 Ų47.129%0.29222%0.222SC..EExtended strand (participates in β ladder)trans-106.8122.7159.5-67.494.7000108.4M1 M22 P24 Y44 V45M1-W93 HydrophobicContact CE-CB 3.82Å; M1-W93 HydrophobicContact CE-CD2 3.41Å; M1-W93 VanDerWaalsContact CE-CD2 3.41Å; M1-W93 HydrophobicContact CE-CE3 4.19Å; M1-W93 HydrophobicContact CE-CG 3.2Å; M1-W93 HydrophobicContact CE-CZ2 4.37Å; M1-W93 HydrophobicContact SD-CG 4.44Å; M22-W93 HydrophobicContact CB-CB 4.36Å; M22-W93 HydrophobicContact CB-CE3 4.01Å; M22-W93 HydrophobicContact CE-CB 3.33Å; M22-W93 VanDerWaalsContact CE-O 3.26Å; M22-W93 WeakPolarHBondContact CE-O 3.43Å; M22-W93 HydrophobicContact SD-CB 4.02Å; P24-W93 HydrophobicContact CB-CZ3 4.45Å; Y44-W93 CarbonylContact C-O 3.51Å; Y44-W93 VanDerWaalsContact CA-O 3.32Å; Y44-W93 WeakPolarHBondContact CA-O 3.24Å; V45-W93 PolarHBondContact N-O 2.87Å; V45-W93 PolarHBondContact O-N 3.11Å
94A96.4Very high92.3Very high0 Ų046.2 Ų46.20%022%0.216CC..EExtended strand (participates in β ladder)trans-101.8142.5178.900000110.8M22 F23 V25 N42 F43 Y44M22-A94 VanDerWaalsContact CA-O 3.25Å; M22-A94 WeakPolarHBondContact CA-O 3.28Å; F23-A94 HydrophobicContact CD1-CB 4.45Å; F23-A94 WeakPolarHBondContact CD1-O 3.35Å; F23-A94 HydrophobicContact CD2-CB 4.03Å; F23-A94 HydrophobicContact CE1-CB 4.01Å; F23-A94 HydrophobicContact CE2-CB 3.55Å; F23-A94 HydrophobicContact CG-CB 4.46Å; F23-A94 HydrophobicContact CZ-CB 3.53Å; F23-A94 PolarHBondContact N-O 2.9Å; F23-A94 PolarHBondContact O-N 3.3Å; V25-A94 HydrophobicContact CG2-CB 3.7Å; N42-A94 HydrophobicContact CB-CB 4.36Å; F43-A94 CarbonylContact O-C 3.48Å; F43-A94 VanDerWaalsContact O-CA 3.24Å; F43-A94 WeakPolarHBondContact O-CA 3.3Å; Y44-A94 HydrophobicContact CD1-CB 3.8Å; Y44-A94 HydrophobicContact CE1-CB 3.76Å
95L93.5Very high91.2Very high0 Ų048.2 Ų48.20%023%0.226CC..EExtended strand (participates in β ladder)trans-124.3127.2171.8-169.768.3000108.8I18 A21 M22 N42 F43 T99 Y100 L104I18-L95 HydrophobicContact CG1-CD2 4.43Å; I18-L95 HydrophobicContact CG2-CD2 4.3Å; A21-L95 HydrophobicContact CB-CD1 3.74Å; M22-L95 HydrophobicContact CG-CB 4.21Å; M22-L95 HydrophobicContact CG-CD1 3.93Å; N42-L95 CarbonylContact C-O 3.6Å; N42-L95 WeakPolarHBondContact CA-O 3.45Å; F43-L95 HydrophobicContact CB-CB 4.46Å; F43-L95 HydrophobicContact CD1-CB 4.1Å; F43-L95 PolarHBondContact N-O 3.43Å; F43-L95 PolarHBondContact O-N 2.94Å; L95-T99 HydrophobicContact CD1-CG2 3.68Å; L95-T99 HydrophobicContact CG-CG2 4.26Å; L95-Y100 HydrophobicContact CD2-CD2 4.13Å; L95-L104 HydrophobicContact CD2-CD1 4.04Å
96D93.8Very high89.9Confident48 Ų4846.5 Ų46.526%0.25723%0.23SC..EExtended strand (participates in β ladder)trans-66.8154.2-178.875.386.5000111.9N42 D98 T99 Y100N42-D96 WeakPolarHBondContact OD1-CA 3.24Å; D96-D98 VanDerWaalsContact C-N 3.3Å; D96-D98 PolarHBondContact O-N 3.17Å; D96-D98 WeakPolarHBondContact OD1-CA 3.38Å; D96-D98 WeakPolarHBondContact OD1-CB 3.4Å; D96-D98 PolarHBondContact OD1-N 3.3Å; D96-T99 PolarHBondContact O-N 3.25Å; D96-T99 PolarHBondContact OD1-N 3.09Å; D96-T99 PolarHBondContact OD1-OG1 3.02Å; D96-T99 WeakPolarHBondContact OD2-CB 3.29Å; D96-T99 PolarHBondContact OD2-OG1 2.75Å; D96-Y100 VanDerWaalsContact O-CB 3.31Å; D96-Y100 WeakPolarHBondContact O-CB 3.43Å; D96-Y100 PolarHBondContact O-N 2.9Å
97R90.5Very high88.6Confident36 Ų3648.6 Ų48.614%0.13625%0.245CC..Hα-helixtrans-52.5-44.1-179.4173.6-175.8-76.8-92.75.9112.8G40 D41 A73 L74 R101G40-R97 PolarHBondContact O-NE 2.87Å; G40-R97 PolarHBondContact O-NH2 3.46Å; D41-R97 VanDerWaalsContact O-CB 3.31Å; D41-R97 WeakPolarHBondContact O-CB 3.33Å; D41-R97 PolarHBondContact O-N 3.38Å; A73-R97 PolarHBondContact O-NH1 2.91Å; A73-R97 PolarHBondContact O-NH2 2.68Å; L74-R97 HydrophobicContact CG-CB 4.19Å; L74-R97 HydrophobicContact CG-CG 4.26Å; R97-R101 HydrophobicContact CG-CG 4.39Å; R97-R101 WeakPolarHBondContact O-CB 3.38Å; R97-R101 WeakPolarHBondContact O-CG 3.38Å; R97-R101 PolarHBondContact O-N 3.42Å
98D90Very high87.2Confident114 Ų11444.8 Ų44.861%0.6123%0.229SC*.Hα-helixtrans-73.3-40.8-171.8-68.1-27.9000110.8D96 R101 R102D96-D98 VanDerWaalsContact C-N 3.3Å; D96-D98 PolarHBondContact O-N 3.17Å; D96-D98 WeakPolarHBondContact OD1-CA 3.38Å; D96-D98 WeakPolarHBondContact OD1-CB 3.4Å; D96-D98 PolarHBondContact OD1-N 3.3Å; D98-R101 PolarHBondContact O-N 3.32Å; D98-R102 WeakPolarHBondContact O-CB 3.25Å; D98-R102 PolarHBondContact O-N 3.48Å
99T89.9Confident85.9Confident11 Ų1146 Ų467%0.06723%0.232CC..Hα-helixtrans-65.9-44.9172.8-58.90000111.7A21 L95 D96 R101 R102 I103A21-T99 HydrophobicContact CB-CG2 3.62Å; L95-T99 HydrophobicContact CD1-CG2 3.68Å; L95-T99 HydrophobicContact CG-CG2 4.26Å; D96-T99 PolarHBondContact O-N 3.25Å; D96-T99 PolarHBondContact OD1-N 3.09Å; D96-T99 PolarHBondContact OD1-OG1 3.02Å; D96-T99 WeakPolarHBondContact OD2-CB 3.29Å; D96-T99 PolarHBondContact OD2-OG1 2.75Å; T99-R101 VanDerWaalsContact C-N 3.26Å; T99-R101 PolarHBondContact O-N 2.82Å; T99-R102 PolarHBondContact O-N 2.85Å; T99-R102 PolarHBondContact OG1-NH2 3.17Å; T99-I103 HydrophobicContact CG2-CD1 3.49Å; T99-I103 VanDerWaalsContact CG2-CD1 3.49Å; T99-I103 HydrophobicContact CG2-CG1 4.25Å; T99-I103 WeakPolarHBondContact O-CG1 3.43Å; T99-I103 PolarHBondContact O-N 3.33Å
100Y86.4Confident84.7Confident0 Ų052 Ų520%024%0.243CC..Hα-helixtrans-54.5-46.3173.6-175.2-78.6000110.5F43 E71 L74 I75 L95 D96 L104 M105F43-Y100 HydrophobicContact CB-CD2 3.57Å; F43-Y100 HydrophobicContact CB-CE2 3.97Å; F43-Y100 HydrophobicContact CB-CG 4.45Å; F43-Y100 AromaticContact CD1-CD2 3.97Å; F43-Y100 HydrophobicContact CD1-CD2 3.97Å; F43-Y100 HydrophobicContact CD1-CE2 4.06Å; F43-Y100 HydrophobicContact CD2-CD2 4.41Å; F43-Y100 AromaticContact CD2-CE2 3.96Å; F43-Y100 HydrophobicContact CD2-CE2 3.96Å; F43-Y100 HydrophobicContact CE2-CE2 4.45Å; F43-Y100 AromaticContact CG-CD2 3.73Å; F43-Y100 HydrophobicContact CG-CD2 3.73Å; F43-Y100 AromaticContact CG-CE2 3.72Å; F43-Y100 HydrophobicContact CG-CE2 3.72Å; E71-Y100 HydrophobicContact CB-CE1 4.5Å; E71-Y100 HydrophobicContact CB-CE2 3.96Å; E71-Y100 WeakPolarHBondContact CB-OH 3.27Å; L74-Y100 HydrophobicContact CB-CD1 3.98Å; L74-Y100 HydrophobicContact CB-CE1 4.38Å; L74-Y100 HydrophobicContact CB-CG 4.47Å; L74-Y100 HydrophobicContact CD2-CD1 4.37Å; L74-Y100 HydrophobicContact CD2-CD2 4.29Å; L74-Y100 HydrophobicContact CD2-CG 4.07Å; I75-Y100 HydrophobicContact CD1-CE1 4.18Å; I75-Y100 HydrophobicContact CG1-CE1 3.8Å; L95-Y100 HydrophobicContact CD2-CD2 4.13Å; D96-Y100 VanDerWaalsContact O-CB 3.31Å; D96-Y100 WeakPolarHBondContact O-CB 3.43Å; D96-Y100 PolarHBondContact O-N 2.9Å; Y100-L104 HydrophobicContact CD1-CB 4.36Å; Y100-L104 HydrophobicContact CD2-CB 4.46Å; Y100-L104 HydrophobicContact CD2-CD1 3.45Å; Y100-L104 VanDerWaalsContact CD2-CD1 3.45Å; Y100-L104 HydrophobicContact CE1-CB 4.11Å; Y100-L104 HydrophobicContact CE2-CB 4.22Å; Y100-L104 HydrophobicContact CE2-CD1 3.35Å; Y100-L104 HydrophobicContact CE2-CG 4.42Å; Y100-L104 HydrophobicContact CG-CB 4.49Å; Y100-L104 HydrophobicContact CG-CD1 4.14Å; Y100-L104 WeakPolarHBondContact O-CA 3.4Å; Y100-L104 WeakPolarHBondContact O-CB 3.39Å; Y100-L104 PolarHBondContact O-N 2.99Å; Y100-M105 PolarHBondContact O-N 2.88Å
101R83.3Confident83.5Confident96 Ų9653.4 Ų53.436%0.36225%0.249SC..Hα-helixtrans-69.2-36-177.7-72.6-176.885.3153.515.1113.3R97 D98 T99 M105R97-R101 HydrophobicContact CG-CG 4.39Å; R97-R101 WeakPolarHBondContact O-CB 3.38Å; R97-R101 WeakPolarHBondContact O-CG 3.38Å; R97-R101 PolarHBondContact O-N 3.42Å; D98-R101 PolarHBondContact O-N 3.32Å; T99-R101 VanDerWaalsContact C-N 3.26Å; T99-R101 PolarHBondContact O-N 2.82Å; R101-M105 HydrophobicContact CB-SD 4.12Å; R101-M105 HydrophobicContact CG-SD 3.83Å; R101-M105 PolarHBondContact NE-SD 3.31Å; R101-M105 WeakPolarHBondContact O-CB 3.48Å
102R85Confident82.4Confident177 Ų17749 Ų4967%0.66823%0.229SC*.Hα-helixtrans-67-43.2178-176.8174.564.1-112.8-1.8112.1D98 T99D98-R102 WeakPolarHBondContact O-CB 3.25Å; D98-R102 PolarHBondContact O-N 3.48Å; T99-R102 PolarHBondContact O-N 2.85Å; T99-R102 PolarHBondContact OG1-NH2 3.17Å
103I79.3Confident81.5Confident20 Ų2055.5 Ų55.510%0.10326%0.257CS..Hα-helixtrans-94.8-46.9-171.4-53171.6000111.9E14 D17 I18 T99E14-I103 HydrophobicContact CB-CG2 4.19Å; E14-I103 HydrophobicContact CG-CG2 4.4Å; D17-I103 HydrophobicContact CB-CD1 3.73Å; I18-I103 HydrophobicContact CD1-CG2 3.92Å; I18-I103 HydrophobicContact CG1-CB 4.29Å; I18-I103 HydrophobicContact CG1-CD1 3.86Å; I18-I103 HydrophobicContact CG1-CG2 3.83Å; T99-I103 HydrophobicContact CG2-CD1 3.49Å; T99-I103 VanDerWaalsContact CG2-CD1 3.49Å; T99-I103 HydrophobicContact CG2-CG1 4.25Å; T99-I103 WeakPolarHBondContact O-CG1 3.43Å; T99-I103 PolarHBondContact O-N 3.33Å
104L73.4Confident80.6Confident1 Ų156.7 Ų56.71%0.00527%0.267CS..THydrogen-bonded Turntrans-98.5-24.2-165.8-67.7170.6000114.5F7 L10 I18 L95 Y100 G106 S107 T108F7-L104 HydrophobicContact CE1-CD1 4.38Å; L10-L104 HydrophobicContact CD1-CD2 3.56Å; L10-L104 HydrophobicContact CD2-CD2 3.74Å; L10-L104 HydrophobicContact CG-CD2 4.18Å; I18-L104 HydrophobicContact CD1-CD1 3.96Å; I18-L104 HydrophobicContact CD1-CD2 3.47Å; I18-L104 VanDerWaalsContact CD1-CD2 3.47Å; I18-L104 HydrophobicContact CD1-CG 3.76Å; L95-L104 HydrophobicContact CD2-CD1 4.04Å; Y100-L104 HydrophobicContact CD1-CB 4.36Å; Y100-L104 HydrophobicContact CD2-CB 4.46Å; Y100-L104 HydrophobicContact CD2-CD1 3.45Å; Y100-L104 VanDerWaalsContact CD2-CD1 3.45Å; Y100-L104 HydrophobicContact CE1-CB 4.11Å; Y100-L104 HydrophobicContact CE2-CB 4.22Å; Y100-L104 HydrophobicContact CE2-CD1 3.35Å; Y100-L104 HydrophobicContact CE2-CG 4.42Å; Y100-L104 HydrophobicContact CG-CB 4.49Å; Y100-L104 HydrophobicContact CG-CD1 4.14Å; Y100-L104 WeakPolarHBondContact O-CA 3.4Å; Y100-L104 WeakPolarHBondContact O-CB 3.39Å; Y100-L104 PolarHBondContact O-N 2.99Å; L104-G106 PolarHBondContact O-N 2.92Å; L104-S107 PolarHBondContact O-OG 3.03Å; L104-T108 WeakPolarHBondContact O-CB 3.33Å; L104-T108 PolarHBondContact O-N 2.87Å; L104-T108 PolarHBondContact O-OG1 2.86Å
105M72.3Confident79.9Confident48 Ų4856.8 Ų56.824%0.23627%0.268CS..Hα-helixtrans-65.4-39.6-165.3-166.2169.374.600113Y100 R101 M109Y100-M105 PolarHBondContact O-N 2.88Å; R101-M105 HydrophobicContact CB-SD 4.12Å; R101-M105 HydrophobicContact CG-SD 3.83Å; R101-M105 PolarHBondContact NE-SD 3.31Å; R101-M105 WeakPolarHBondContact O-CB 3.48Å; M105-M109 HydrophobicContact CG-CG 3.9Å; M105-M109 HydrophobicContact CG-SD 3.49Å; M105-M109 WeakPolarHBondContact CG-SD 3.15Å; M105-M109 WeakPolarHBondContact O-CB 3.32Å; M105-M109 VanDerWaalsContact O-CG 3.24Å; M105-M109 WeakPolarHBondContact O-CG 3.45Å; M105-M109 PolarHBondContact O-N 2.84Å; M105-M109 HydrophobicContact SD-SD 4.15Å
106G72.6Confident79.3Confident42 Ų4258.7 Ų58.743%0.43328%0.278SS..Hα-helixtrans-64.7-46.6-176.700000113.6L104 R110L104-G106 PolarHBondContact O-N 2.92Å; G106-R110 WeakPolarHBondContact O-CG 3.5Å; G106-R110 PolarHBondContact O-NE 3.4Å
107S69.4Low78.8Confident46 Ų4661.6 Ų61.632%0.32229%0.29SS..Hα-helixtrans-74.6-45.5178.353.50000111.4L104 R110 K111L104-S107 PolarHBondContact O-OG 3.03Å; S107-R110 PolarHBondContact O-N 3.27Å; S107-K111 WeakPolarHBondContact O-CB 3.5Å; S107-K111 PolarHBondContact O-N 3.44Å
108T70Confident78.5Confident11 Ų1161.5 Ų61.57%0.06729%0.291CS..Hα-helixtrans-64.3-45.1-177.7-540000112.1I75 L104 R110 K111 R112I75-T108 HydrophobicContact CD1-CG2 3.87Å; L104-T108 WeakPolarHBondContact O-CB 3.33Å; L104-T108 PolarHBondContact O-N 2.87Å; L104-T108 PolarHBondContact O-OG1 2.86Å; T108-R110 PolarHBondContact O-N 2.74Å; T108-K111 PolarHBondContact O-N 3.23Å; T108-R112 HydrophobicContact CG2-CG 4.42Å; T108-R112 WeakPolarHBondContact O-CB 3.44Å; T108-R112 WeakPolarHBondContact O-CG 3.4Å; T108-R112 PolarHBondContact O-N 2.81Å
109M70.8Confident78.2Confident80 Ų8056 Ų5639%0.39426%0.262SS..Hα-helixtrans-65.5-39.9178.6-74.1-17271.300112.6I75 M105 R112 K113I75-M109 HydrophobicContact CG2-CG 3.74Å; I75-M109 HydrophobicContact CG2-SD 4.25Å; M105-M109 HydrophobicContact CG-CG 3.9Å; M105-M109 HydrophobicContact CG-SD 3.49Å; M105-M109 WeakPolarHBondContact CG-SD 3.15Å; M105-M109 WeakPolarHBondContact O-CB 3.32Å; M105-M109 VanDerWaalsContact O-CG 3.24Å; M105-M109 WeakPolarHBondContact O-CG 3.45Å; M105-M109 PolarHBondContact O-N 2.84Å; M105-M109 HydrophobicContact SD-SD 4.15Å; M109-R112 PolarHBondContact O-N 2.6Å; M109-K113 VanDerWaalsContact O-CB 3.3Å; M109-K113 WeakPolarHBondContact O-CB 3.29Å; M109-K113 PolarHBondContact O-N 2.83Å
110R72.6Confident77.8Confident184 Ų18458.6 Ų58.669%0.69428%0.28SS*.Hα-helixtrans-63.2-46.7177.2-80.5-176.6-74.9-151.23111.1G106 S107 T108 M114G106-R110 WeakPolarHBondContact O-CG 3.5Å; G106-R110 PolarHBondContact O-NE 3.4Å; S107-R110 PolarHBondContact O-N 3.27Å; T108-R110 PolarHBondContact O-N 2.74Å; R110-M114 WeakPolarHBondContact O-CB 3.45Å; R110-M114 PolarHBondContact O-N 3.33Å; R110-M114 VanDerWaalsContact O-N 3.11Å
111K74.7Confident77.6Confident32 Ų3265.9 Ų65.914%0.13931%0.311CS..Hα-helixtrans-58-51.3175.2-175.4-176.6175.2-168.90111.1H9 S107 T108 M114 Y115 D138 L140H9-K111 PolarHBondContact NE2-NZ 3.22Å; S107-K111 WeakPolarHBondContact O-CB 3.5Å; S107-K111 PolarHBondContact O-N 3.44Å; T108-K111 PolarHBondContact O-N 3.23Å; K111-M114 PolarHBondContact O-N 3.34Å; K111-Y115 HydrophobicContact CD-CE2 4.26Å; K111-Y115 HydrophobicContact CG-CD2 3.64Å; K111-Y115 HydrophobicContact CG-CE2 3.59Å; K111-Y115 VanDerWaalsContact O-CD2 3.25Å; K111-Y115 WeakPolarHBondContact O-CD2 3.22Å; K111-Y115 PolarHBondContact O-N 3.25Å; K111-D138 PolarHBondContact NZ-O 3Å; K111-L140 WeakPolarHBondContact CE-O 3.38Å; K111-L140 PolarHBondContact NZ-O 3.28Å
112R74.4Confident77.6Confident2 Ų261.3 Ų61.31%0.00829%0.294CS..Hα-helixtrans-63.8-44.6-178.8-77.5-176.9175.4-169.1-1.3113E71 L72 T108 M109 M114 Y115 D116 L134 D138E71-R112 IonicContact OE1-CZ 3.42Å; E71-R112 IonicContact OE1-NH1 3.14Å; E71-R112 IonicContact OE1-NH2 2.86Å; E71-R112 PolarHBondContact OE1-NH2 3.15Å; L72-R112 VanDerWaalsContact CD2-NH1 3.31Å; T108-R112 HydrophobicContact CG2-CG 4.42Å; T108-R112 WeakPolarHBondContact O-CB 3.44Å; T108-R112 WeakPolarHBondContact O-CG 3.4Å; T108-R112 PolarHBondContact O-N 2.81Å; M109-R112 PolarHBondContact O-N 2.6Å; R112-M114 VanDerWaalsContact C-N 3.34Å; R112-M114 PolarHBondContact O-N 3.21Å; R112-Y115 PolarHBondContact O-N 2.77Å; R112-D116 WeakPolarHBondContact O-CB 3.41Å; R112-D116 PolarHBondContact O-N 2.9Å; R112-L134 HydrophobicContact CB-CD2 4.42Å; R112-D138 WeakPolarHBondContact CG-OD1 3.33Å; R112-D138 IonicContact CZ-OD1 2.82Å; R112-D138 IonicContact CZ-OD2 3.9Å; R112-D138 VanDerWaalsContact CZ-OD2 3.29Å; R112-D138 IonicContact NE-OD1 2.81Å; R112-D138 PolarHBondContact NE-OD1 2.92Å; R112-D138 IonicContact NE-OD2 3.02Å; R112-D138 PolarHBondContact NE-OD2 2.9Å; R112-D138 VanDerWaalsContact NH2-CG 3.33Å; R112-D138 IonicContact NH2-OD1 3.53Å; R112-D138 PolarHBondContact NH2-OD1 3.31Å; R112-D138 IonicContact NH2-OD2 3.54Å; R112-D138 PolarHBondContact NH2-OD2 3.11Å
113K77.6Confident77.3Confident140 Ų14061 Ų6161%0.60930%0.298SS*.Hα-helixtrans-60.7-46.3178.4-176.2179.9176.8-176.20111.1M109 E117M109-K113 VanDerWaalsContact O-CB 3.3Å; M109-K113 WeakPolarHBondContact O-CB 3.29Å; M109-K113 PolarHBondContact O-N 2.83Å; K113-E117 WeakPolarHBondContact CE-OE1 3.36Å; K113-E117 WeakPolarHBondContact O-CG 3.18Å; K113-E117 PolarHBondContact O-N 3.33Å
114M77.4Confident77.2Confident103 Ų10360.4 Ų60.451%0.50730%0.295SS..Hα-helixtrans-59.8-47.4178.4-179-173.569.800111.6R110 K111 R112 F118R110-M114 WeakPolarHBondContact O-CB 3.45Å; R110-M114 PolarHBondContact O-N 3.33Å; R110-M114 VanDerWaalsContact O-N 3.11Å; K111-M114 PolarHBondContact O-N 3.34Å; R112-M114 VanDerWaalsContact C-N 3.34Å; R112-M114 PolarHBondContact O-N 3.21Å; M114-F118 WeakPolarHBondContact O-CB 3.4Å; M114-F118 PolarHBondContact O-N 3.39Å
115Y81.7Confident77.6Confident1 Ų160.3 Ų60.30%0.00429%0.294CS..Hα-helixtrans-74.4-38.4179.9-75.2-56.5000113.1K111 R112 E117 F118 L119 A137 L140 L165 A217K111-Y115 HydrophobicContact CD-CE2 4.26Å; K111-Y115 HydrophobicContact CG-CD2 3.64Å; K111-Y115 HydrophobicContact CG-CE2 3.59Å; K111-Y115 VanDerWaalsContact O-CD2 3.25Å; K111-Y115 WeakPolarHBondContact O-CD2 3.22Å; K111-Y115 PolarHBondContact O-N 3.25Å; R112-Y115 PolarHBondContact O-N 2.77Å; Y115-E117 PolarHBondContact O-N 3Å; Y115-F118 PolarHBondContact O-N 3.2Å; Y115-L119 VanDerWaalsContact O-CB 3.22Å; Y115-L119 WeakPolarHBondContact O-CB 3.39Å; Y115-L119 WeakPolarHBondContact O-CG 3.45Å; Y115-L119 PolarHBondContact O-N 2.87Å; Y115-A137 HydrophobicContact CG-CB 4.49Å; Y115-L140 HydrophobicContact CD1-CD1 4.01Å; Y115-L140 HydrophobicContact CE1-CB 4.45Å; Y115-L140 HydrophobicContact CE1-CD1 4.25Å; Y115-L140 HydrophobicContact CE2-CB 4.38Å; Y115-L140 HydrophobicContact CG-CD1 4.41Å; Y115-L165 HydrophobicContact CE1-CD1 4.07Å; Y115-L165 HydrophobicContact CE1-CD2 4.28Å; Y115-A217 HydrophobicContact CD1-CB 4.46Å; Y115-A217 HydrophobicContact CE1-CB 3.59Å
116D80.8Confident77.9Confident41 Ų4164.1 Ų64.122%0.21931%0.311CS..Hα-helixtrans-58.8-48.1178.9-171.740.5000111.3R112 F118 S120 L134R112-D116 WeakPolarHBondContact O-CB 3.41Å; R112-D116 PolarHBondContact O-N 2.9Å; D116-F118 VanDerWaalsContact C-N 3.33Å; D116-F118 PolarHBondContact O-N 3.06Å; D116-S120 WeakPolarHBondContact O-CB 3.4Å; D116-S120 PolarHBondContact O-N 3.32Å; D116-L134 HydrophobicContact CB-CD2 4.24Å
117E82.4Confident78Confident108 Ų10867.8 Ų67.851%0.50532%0.321SS..Hα-helixtrans-62-39.1176.1-70.9175.5-169.400112.2K113 Y115 S120K113-E117 WeakPolarHBondContact CE-OE1 3.36Å; K113-E117 WeakPolarHBondContact O-CG 3.18Å; K113-E117 PolarHBondContact O-N 3.33Å; Y115-E117 PolarHBondContact O-N 3Å; E117-S120 PolarHBondContact O-OG 3.46Å
118F84Confident78.5Confident34 Ų3465.9 Ų65.915%0.14931%0.307CS..Hα-helixtrans-73.8-49.6179.4179.3-90.1000112.6M114 Y115 D116 S120 K121 V122 I163 I164 L165M114-F118 WeakPolarHBondContact O-CB 3.4Å; M114-F118 PolarHBondContact O-N 3.39Å; Y115-F118 PolarHBondContact O-N 3.2Å; D116-F118 VanDerWaalsContact C-N 3.33Å; D116-F118 PolarHBondContact O-N 3.06Å; F118-S120 PolarHBondContact O-N 2.96Å; F118-K121 WeakPolarHBondContact O-CB 3.4Å; F118-K121 PolarHBondContact O-N 3.37Å; F118-V122 HydrophobicContact CD1-CG2 4.08Å; F118-V122 HydrophobicContact CE1-CG2 3.55Å; F118-V122 HydrophobicContact CZ-CG2 4.21Å; F118-I163 HydrophobicContact CE1-CG2 3.69Å; F118-I163 HydrophobicContact CZ-CG2 4.24Å; F118-I164 WeakPolarHBondContact CZ-O 3.1Å; F118-L165 HydrophobicContact CD1-CD2 3.48Å; F118-L165 VanDerWaalsContact CD1-CD2 3.48Å; F118-L165 HydrophobicContact CD2-CD2 4.06Å; F118-L165 HydrophobicContact CE1-CD2 3.34Å; F118-L165 HydrophobicContact CE2-CD2 3.92Å; F118-L165 HydrophobicContact CG-CD2 3.87Å; F118-L165 HydrophobicContact CZ-CD2 3.58Å
119L83.6Confident78.8Confident0 Ų069.1 Ų69.10%032%0.324CS..Hα-helixtrans-65.7-19.9-179.1-62.1174.9000111.8Y115 K121 V122 L125 R133 V136 A137 L140 I163Y115-L119 VanDerWaalsContact O-CB 3.22Å; Y115-L119 WeakPolarHBondContact O-CB 3.39Å; Y115-L119 WeakPolarHBondContact O-CG 3.45Å; Y115-L119 PolarHBondContact O-N 2.87Å; L119-K121 PolarHBondContact O-N 3.16Å; L119-V122 HydrophobicContact CD2-CG2 4.39Å; L119-V122 PolarHBondContact O-N 2.73Å; L119-L125 HydrophobicContact CB-CD1 3.85Å; L119-L125 HydrophobicContact CD1-CD1 4.37Å; L119-L125 HydrophobicContact CD2-CD1 3.32Å; L119-L125 HydrophobicContact CG-CD1 3.99Å; L119-R133 HydrophobicContact CB-CG 3.77Å; L119-R133 HydrophobicContact CD1-CG 4.28Å; L119-R133 PolarHBondContact O-NH1 2.91Å; L119-V136 HydrophobicContact CD1-CB 4.43Å; L119-V136 HydrophobicContact CD1-CG1 4.09Å; L119-A137 HydrophobicContact CD1-CB 3.79Å; L119-L140 HydrophobicContact CD1-CD1 3.96Å; L119-L140 HydrophobicContact CD2-CD1 3.72Å; L119-L140 HydrophobicContact CG-CD1 4.34Å; L119-I163 HydrophobicContact CD2-CD1 3.77Å
120S82.4Confident79.1Confident65 Ų6571.1 Ų71.146%0.45533%0.331SS..THydrogen-bonded Turntrans-62.1-22.116878.90000113.9D116 E117 F118D116-S120 WeakPolarHBondContact O-CB 3.4Å; D116-S120 PolarHBondContact O-N 3.32Å; E117-S120 PolarHBondContact O-OG 3.46Å; F118-S120 PolarHBondContact O-N 2.96Å
121K82.4Confident79Confident152 Ų15267.1 Ų67.166%0.66132%0.316SS*.SBendtrans-97.5-13.6-179.5-56.4176.4-176.7175.20113.3F118 L119 K123F118-K121 WeakPolarHBondContact O-CB 3.4Å; F118-K121 PolarHBondContact O-N 3.37Å; L119-K121 PolarHBondContact O-N 3.16Å; K121-K123 PolarHBondContact O-N 2.99Å
122V82.6Confident78.9Confident0 Ų068.3 Ų68.30%032%0.322CS..  trans-78.8107.6179178.80000108.1F118 L119 I124 L125 E126 I163F118-V122 HydrophobicContact CD1-CG2 4.08Å; F118-V122 HydrophobicContact CE1-CG2 3.55Å; F118-V122 HydrophobicContact CZ-CG2 4.21Å; L119-V122 HydrophobicContact CD2-CG2 4.39Å; L119-V122 PolarHBondContact O-N 2.73Å; V122-I124 HydrophobicContact CG1-CG2 3.7Å; V122-I124 PolarHBondContact O-N 3.05Å; V122-I124 VanDerWaalsContact O-N 3.09Å; V122-L125 HydrophobicContact CB-CB 4.29Å; V122-L125 HydrophobicContact CB-CD1 3.97Å; V122-L125 HydrophobicContact CB-CG 4.09Å; V122-L125 HydrophobicContact CG1-CB 4.4Å; V122-L125 HydrophobicContact CG1-CD1 3.96Å; V122-L125 HydrophobicContact CG1-CG 3.8Å; V122-L125 HydrophobicContact CG2-CD1 4.48Å; V122-L125 CarbonylContact O-C 3.39Å; V122-L125 WeakPolarHBondContact O-CA 3.4Å; V122-L125 PolarHBondContact O-N 3Å; V122-E126 PolarHBondContact O-N 3.27Å; V122-I163 HydrophobicContact CG2-CG2 3.95Å
123K78.2Confident79.3Confident172 Ų17269.6 Ų69.675%0.74833%0.327SS*.G310 helixtrans-52.1-36.8-173.5-173.2177.1-178.8178.50114K121 L125 E126K121-K123 PolarHBondContact O-N 2.99Å; K123-L125 PolarHBondContact O-N 3.19Å; K123-E126 VanDerWaalsContact O-CB 3.25Å; K123-E126 WeakPolarHBondContact O-CB 3.49Å; K123-E126 PolarHBondContact O-N 3.03Å
124I78.7Confident79.2Confident6 Ų663 Ų633%0.03130%0.298CS..G310 helixtrans-72.1-18.5179.7-166.2144000114V122 Y192 C231 I234 L235V122-I124 HydrophobicContact CG1-CG2 3.7Å; V122-I124 PolarHBondContact O-N 3.05Å; V122-I124 VanDerWaalsContact O-N 3.09Å; I124-Y192 HydrophobicContact CB-CE1 3.84Å; I124-Y192 HydrophobicContact CD1-CE1 3.86Å; I124-Y192 HydrophobicContact CD1-CE2 4.48Å; I124-Y192 VanDerWaalsContact CD1-OH 3.25Å; I124-Y192 WeakPolarHBondContact CD1-OH 3.2Å; I124-Y192 HydrophobicContact CG1-CE1 4.49Å; I124-Y192 HydrophobicContact CG2-CD1 3.72Å; I124-Y192 HydrophobicContact CG2-CE1 3.5Å; I124-Y192 VanDerWaalsContact CG2-CE1 3.5Å; I124-C231 HydrophobicContact CG1-CB 4.44Å; I124-C231 PolarHBondContact O-SG 3.22Å; I124-I234 HydrophobicContact CD1-CB 4.29Å; I124-I234 HydrophobicContact CD1-CG2 3.79Å; I124-I234 HydrophobicContact CG1-CB 4.19Å; I124-I234 HydrophobicContact CG1-CG2 3.74Å; I124-L235 HydrophobicContact CD1-CB 4.2Å; I124-L235 HydrophobicContact CD1-CD2 3.26Å; I124-L235 HydrophobicContact CD1-CG 3.48Å; I124-L235 VanDerWaalsContact CD1-CG 3.48Å; I124-L235 HydrophobicContact CG1-CD2 4.2Å; I124-L235 HydrophobicContact CG1-CG 4.21Å
125L80.3Confident79.1Confident0 Ų061.1 Ų61.10%029%0.292CS..G310 helixtrans-99.83.2176.1-53.2-179.4000111.6L119 V122 K123 D127 L128 R133 V136 I163 M228L119-L125 HydrophobicContact CB-CD1 3.85Å; L119-L125 HydrophobicContact CD1-CD1 4.37Å; L119-L125 HydrophobicContact CD2-CD1 3.32Å; L119-L125 HydrophobicContact CG-CD1 3.99Å; V122-L125 HydrophobicContact CB-CB 4.29Å; V122-L125 HydrophobicContact CB-CD1 3.97Å; V122-L125 HydrophobicContact CB-CG 4.09Å; V122-L125 HydrophobicContact CG1-CB 4.4Å; V122-L125 HydrophobicContact CG1-CD1 3.96Å; V122-L125 HydrophobicContact CG1-CG 3.8Å; V122-L125 HydrophobicContact CG2-CD1 4.48Å; V122-L125 CarbonylContact O-C 3.39Å; V122-L125 WeakPolarHBondContact O-CA 3.4Å; V122-L125 PolarHBondContact O-N 3Å; K123-L125 PolarHBondContact O-N 3.19Å; L125-D127 VanDerWaalsContact C-N 3.29Å; L125-D127 PolarHBondContact O-N 2.85Å; L125-L128 HydrophobicContact CB-CD1 4.17Å; L125-L128 HydrophobicContact CB-CG 4.45Å; L125-L128 HydrophobicContact CD2-CD1 3.72Å; L125-L128 HydrophobicContact CD2-CG 4.48Å; L125-L128 HydrophobicContact CG-CD1 4.48Å; L125-L128 WeakPolarHBondContact O-CB 3.36Å; L125-L128 PolarHBondContact O-N 3.27Å; L125-R133 PolarHBondContact O-NH1 3.46Å; L125-R133 PolarHBondContact O-NH2 3.22Å; L125-V136 HydrophobicContact CD1-CG1 4.24Å; L125-I163 HydrophobicContact CD1-CD1 4.16Å; L125-M228 HydrophobicContact CD2-CE 3.69Å; L125-M228 HydrophobicContact CD2-SD 3.93Å
126E78.7Confident79.1Confident127 Ų12761.1 Ų61.159%0.59329%0.292SS*.THydrogen-bonded Turntrans-60.9-41.8-180-171.8174.3-174.600111.1V122 K123 L128 R133V122-E126 PolarHBondContact O-N 3.27Å; K123-E126 VanDerWaalsContact O-CB 3.25Å; K123-E126 WeakPolarHBondContact O-CB 3.49Å; K123-E126 PolarHBondContact O-N 3.03Å; E126-L128 PolarHBondContact O-N 2.79Å; E126-R133 PolarHBondContact O-NH2 3.49Å
127D76.4Confident79.2Confident120 Ų12059.1 Ų59.164%0.64228%0.282SS*.THydrogen-bonded Turntrans-70.6-10.3179.7-69.1-30.9000113.9L125 I234L125-D127 VanDerWaalsContact C-N 3.29Å; L125-D127 PolarHBondContact O-N 2.85Å; D127-I234 HydrophobicContact CB-CD1 4.1Å; D127-I234 WeakPolarHBondContact OD2-CD1 3.45Å
128L78.9Confident78.8Confident5 Ų554.9 Ų54.93%0.02626%0.262CS..SBendtrans-74.2131.8175.2-64.1-170.6000110.4L125 E126 E132 R133 V136 P230 C231L125-L128 HydrophobicContact CB-CD1 4.17Å; L125-L128 HydrophobicContact CB-CG 4.45Å; L125-L128 HydrophobicContact CD2-CD1 3.72Å; L125-L128 HydrophobicContact CD2-CG 4.48Å; L125-L128 HydrophobicContact CG-CD1 4.48Å; L125-L128 WeakPolarHBondContact O-CB 3.36Å; L125-L128 PolarHBondContact O-N 3.27Å; E126-L128 PolarHBondContact O-N 2.79Å; L128-E132 WeakPolarHBondContact CA-OE2 2.92Å; L128-E132 HydrophobicContact CB-CB 3.86Å; L128-E132 HydrophobicContact CD1-CB 4.32Å; L128-E132 HydrophobicContact CD2-CB 3.87Å; L128-E132 HydrophobicContact CG-CB 4.23Å; L128-R133 HydrophobicContact CB-CB 4.27Å; L128-R133 PolarHBondContact O-NH2 2.9Å; L128-V136 HydrophobicContact CD1-CG2 3.62Å; L128-P230 HydrophobicContact CD2-CB 3.74Å; L128-P230 HydrophobicContact CD2-CG 4.29Å; L128-C231 WeakPolarHBondContact CD2-SG 3.06Å
129D76.9Confident78.6Confident79 Ų7953.3 Ų53.342%0.42226%0.256SS..  trans-65.2170.6167.680.223.4000110.9W131 E132 R133D129-W131 PolarHBondContact O-N 2.82Å; D129-W131 VanDerWaalsContact O-N 3.15Å; D129-W131 VanDerWaalsContact OD1-CA 3.29Å; D129-W131 WeakPolarHBondContact OD1-CA 3.45Å; D129-W131 VanDerWaalsContact OD1-CB 3.24Å; D129-W131 WeakPolarHBondContact OD1-CB 3.48Å; D129-W131 PolarHBondContact OD1-N 2.85Å; D129-E132 PolarHBondContact N-OE2 3.19Å; D129-E132 PolarHBondContact O-N 3.26Å; D129-E132 PolarHBondContact OD1-N 2.87Å; D129-R133 WeakPolarHBondContact O-CB 3.41Å; D129-R133 PolarHBondContact O-N 3.39Å
130K75.5Confident78.7Confident122 Ų12253.3 Ų53.353%0.5326%0.256SS..Hα-helixtrans-55.9-33.7-179.7-175.1174-178.71760112.4L134K130-L134 HydrophobicContact CG-CD1 4.32Å; K130-L134 WeakPolarHBondContact O-CB 3.47Å; K130-L134 WeakPolarHBondContact O-CG 3.45Å; K130-L134 PolarHBondContact O-N 2.93Å; K130-L134 VanDerWaalsContact O-N 3.11Å
131W70.6Confident78.8Confident101 Ų10151.5 Ų51.538%0.38324%0.24SC..Hα-helixtrans-77.3-43.8-177.5-56.1109.2000112.1L72 A81 D129 R133 L134 T135L72-W131 HydrophobicContact CB-CZ3 4.15Å; L72-W131 HydrophobicContact CD1-CE3 3.59Å; L72-W131 HydrophobicContact CD1-CZ3 3.55Å; L72-W131 HydrophobicContact CD2-CE3 4.25Å; L72-W131 HydrophobicContact CD2-CZ3 3.97Å; L72-W131 HydrophobicContact CG-CE3 4.44Å; L72-W131 HydrophobicContact CG-CZ3 4.08Å; A81-W131 HydrophobicContact CB-CE3 4.44Å; A81-W131 HydrophobicContact CB-CH2 3.56Å; A81-W131 HydrophobicContact CB-CZ2 3.69Å; A81-W131 HydrophobicContact CB-CZ3 3.97Å; D129-W131 PolarHBondContact O-N 2.82Å; D129-W131 VanDerWaalsContact O-N 3.15Å; D129-W131 VanDerWaalsContact OD1-CA 3.29Å; D129-W131 WeakPolarHBondContact OD1-CA 3.45Å; D129-W131 VanDerWaalsContact OD1-CB 3.24Å; D129-W131 WeakPolarHBondContact OD1-CB 3.48Å; D129-W131 PolarHBondContact OD1-N 2.85Å; W131-R133 VanDerWaalsContact C-N 3.31Å; W131-L134 PolarHBondContact O-N 2.99Å; W131-T135 PolarHBondContact O-N 2.74Å; W131-T135 PolarHBondContact O-OG1 2.7Å
132E73.8Confident79.2Confident56 Ų5648.2 Ų48.226%0.26223%0.234SC..Hα-helixtrans-61.4-43.7174.3-66.7172.5141.800110.1L128 D129 L134 T135 V136 P230L128-E132 WeakPolarHBondContact CA-OE2 2.92Å; L128-E132 HydrophobicContact CB-CB 3.86Å; L128-E132 HydrophobicContact CD1-CB 4.32Å; L128-E132 HydrophobicContact CD2-CB 3.87Å; L128-E132 HydrophobicContact CG-CB 4.23Å; D129-E132 PolarHBondContact N-OE2 3.19Å; D129-E132 PolarHBondContact O-N 3.26Å; D129-E132 PolarHBondContact OD1-N 2.87Å; E132-L134 PolarHBondContact O-N 3.32Å; E132-T135 WeakPolarHBondContact O-CB 3.44Å; E132-T135 PolarHBondContact O-N 3.26Å; E132-T135 VanDerWaalsContact O-N 3.16Å; E132-V136 WeakPolarHBondContact O-CG2 3.27Å; E132-V136 PolarHBondContact O-N 2.78Å; E132-P230 WeakPolarHBondContact OE1-CG 3.06Å
133R82.7Confident79.8Confident30 Ų3049.6 Ų49.611%0.11324%0.242CC..Hα-helixtrans-62.8-41177.3-163.2-173.3-45.1-91.1-6.3112.9L119 L125 E126 L128 D129 W131 T135 V136 A137L119-R133 HydrophobicContact CB-CG 3.77Å; L119-R133 HydrophobicContact CD1-CG 4.28Å; L119-R133 PolarHBondContact O-NH1 2.91Å; L125-R133 PolarHBondContact O-NH1 3.46Å; L125-R133 PolarHBondContact O-NH2 3.22Å; E126-R133 PolarHBondContact O-NH2 3.49Å; L128-R133 HydrophobicContact CB-CB 4.27Å; L128-R133 PolarHBondContact O-NH2 2.9Å; D129-R133 WeakPolarHBondContact O-CB 3.41Å; D129-R133 PolarHBondContact O-N 3.39Å; W131-R133 VanDerWaalsContact C-N 3.31Å; R133-T135 VanDerWaalsContact C-N 3.33Å; R133-V136 WeakPolarHBondContact O-CB 3.13Å; R133-V136 PolarHBondContact O-N 3.22Å; R133-A137 WeakPolarHBondContact O-CB 3.05Å; R133-A137 PolarHBondContact O-N 3.12Å
134L76.1Confident80.7Confident2 Ų245.2 Ų45.21%0.0123%0.234CC..Hα-helixtrans-65.9-37174.3-74.2172.6000111.9L72 Y76 R112 D116 K130 W131 E132 V136 A137 D138L72-L134 HydrophobicContact CD2-CD1 4.27Å; Y76-L134 HydrophobicContact CE2-CD1 4.03Å; R112-L134 HydrophobicContact CB-CD2 4.42Å; D116-L134 HydrophobicContact CB-CD2 4.24Å; K130-L134 HydrophobicContact CG-CD1 4.32Å; K130-L134 WeakPolarHBondContact O-CB 3.47Å; K130-L134 WeakPolarHBondContact O-CG 3.45Å; K130-L134 PolarHBondContact O-N 2.93Å; K130-L134 VanDerWaalsContact O-N 3.11Å; W131-L134 PolarHBondContact O-N 2.99Å; E132-L134 PolarHBondContact O-N 3.32Å; L134-V136 VanDerWaalsContact C-N 3.3Å; L134-V136 PolarHBondContact O-N 3.35Å; L134-A137 WeakPolarHBondContact O-CB 3.5Å; L134-A137 PolarHBondContact O-N 3.27Å; L134-D138 PolarHBondContact O-N 3.09Å
135T74.4Confident81.6Confident63 Ų6347 Ų4739%0.38724%0.242SC..Hα-helixtrans-63.7-38.5175.2-54.70000111.3W131 E132 R133 A139 V227W131-T135 PolarHBondContact O-N 2.74Å; W131-T135 PolarHBondContact O-OG1 2.7Å; E132-T135 WeakPolarHBondContact O-CB 3.44Å; E132-T135 PolarHBondContact O-N 3.26Å; E132-T135 VanDerWaalsContact O-N 3.16Å; R133-T135 VanDerWaalsContact C-N 3.33Å; T135-A139 PolarHBondContact O-N 3.02Å; T135-V227 HydrophobicContact CG2-CB 4.25Å; T135-V227 HydrophobicContact CG2-CG1 3.74Å
136V81.3Confident82.5Confident0 Ų051.5 Ų51.50%027%0.269CS..Hα-helixtrans-64.8-47.4170.81750000110.8L119 L125 L128 E132 R133 L134 D138 A139 L140 M219 V227 M228L119-V136 HydrophobicContact CD1-CB 4.43Å; L119-V136 HydrophobicContact CD1-CG1 4.09Å; L125-V136 HydrophobicContact CD1-CG1 4.24Å; L128-V136 HydrophobicContact CD1-CG2 3.62Å; E132-V136 WeakPolarHBondContact O-CG2 3.27Å; E132-V136 PolarHBondContact O-N 2.78Å; R133-V136 WeakPolarHBondContact O-CB 3.13Å; R133-V136 PolarHBondContact O-N 3.22Å; L134-V136 VanDerWaalsContact C-N 3.3Å; L134-V136 PolarHBondContact O-N 3.35Å; V136-D138 PolarHBondContact O-N 2.96Å; V136-A139 WeakPolarHBondContact O-CB 3.48Å; V136-A139 PolarHBondContact O-N 3.48Å; V136-L140 HydrophobicContact CG1-CD1 4.32Å; V136-L140 WeakPolarHBondContact O-CG 3.43Å; V136-L140 PolarHBondContact O-N 2.86Å; V136-M219 HydrophobicContact CG1-CE 4.01Å; V136-V227 HydrophobicContact CG2-CB 4.25Å; V136-V227 HydrophobicContact CG2-CG2 4Å; V136-M228 HydrophobicContact CG1-SD 4.23Å; V136-M228 HydrophobicContact CG2-SD 3.99Å
137A82.4Confident83.4Confident0 Ų048 Ų480%026%0.262CS..Hα-helixtrans-54.8-38.617900000113.3Y115 L119 R133 L134Y115-A137 HydrophobicContact CG-CB 4.49Å; L119-A137 HydrophobicContact CD1-CB 3.79Å; R133-A137 WeakPolarHBondContact O-CB 3.05Å; R133-A137 PolarHBondContact O-N 3.12Å; L134-A137 WeakPolarHBondContact O-CB 3.5Å; L134-A137 PolarHBondContact O-N 3.27Å
138D75.3Confident84.5Confident18 Ų1845 Ų4510%0.09626%0.259CS..Hα-helixtrans-71.6-33.2178.5-68.5-34.8000113.2V5 K111 R112 L134 V136 L140V5-D138 WeakPolarHBondContact CG2-O 3.19Å; K111-D138 PolarHBondContact NZ-O 3Å; R112-D138 WeakPolarHBondContact CG-OD1 3.33Å; R112-D138 IonicContact CZ-OD1 2.82Å; R112-D138 IonicContact CZ-OD2 3.9Å; R112-D138 VanDerWaalsContact CZ-OD2 3.29Å; R112-D138 IonicContact NE-OD1 2.81Å; R112-D138 PolarHBondContact NE-OD1 2.92Å; R112-D138 IonicContact NE-OD2 3.02Å; R112-D138 PolarHBondContact NE-OD2 2.9Å; R112-D138 VanDerWaalsContact NH2-CG 3.33Å; R112-D138 IonicContact NH2-OD1 3.53Å; R112-D138 PolarHBondContact NH2-OD1 3.31Å; R112-D138 IonicContact NH2-OD2 3.54Å; R112-D138 PolarHBondContact NH2-OD2 3.11Å; L134-D138 PolarHBondContact O-N 3.09Å; V136-D138 PolarHBondContact O-N 2.96Å; D138-L140 VanDerWaalsContact C-N 3.27Å; D138-L140 PolarHBondContact O-N 2.86Å
139A79Confident85.4Confident1 Ų146.7 Ų46.71%0.00827%0.27CS..Hα-helixtrans-72.1-20.7179.200000113.4T135 V136 R223 V227T135-A139 PolarHBondContact O-N 3.02Å; V136-A139 WeakPolarHBondContact O-CB 3.48Å; V136-A139 PolarHBondContact O-N 3.48Å; A139-R223 HydrophobicContact CB-CB 4.15Å; A139-R223 WeakPolarHBondContact O-CD 3.49Å; A139-R223 PolarHBondContact O-NH1 3.43Å; A139-R223 VanDerWaalsContact O-NH1 3.17Å; A139-V227 HydrophobicContact CB-CG1 4.14Å; A139-V227 HydrophobicContact CB-CG2 3.95Å
140L85.8Confident86.4Confident0 Ų046.6 Ų46.60%027%0.272CS..  trans-77.6141.2-178.3-70171.6000112.6K111 Y115 L119 V136 D138 I163 A217 R218 M219K111-L140 WeakPolarHBondContact CE-O 3.38Å; K111-L140 PolarHBondContact NZ-O 3.28Å; Y115-L140 HydrophobicContact CD1-CD1 4.01Å; Y115-L140 HydrophobicContact CE1-CB 4.45Å; Y115-L140 HydrophobicContact CE1-CD1 4.25Å; Y115-L140 HydrophobicContact CE2-CB 4.38Å; Y115-L140 HydrophobicContact CG-CD1 4.41Å; L119-L140 HydrophobicContact CD1-CD1 3.96Å; L119-L140 HydrophobicContact CD2-CD1 3.72Å; L119-L140 HydrophobicContact CG-CD1 4.34Å; V136-L140 HydrophobicContact CG1-CD1 4.32Å; V136-L140 WeakPolarHBondContact O-CG 3.43Å; V136-L140 PolarHBondContact O-N 2.86Å; D138-L140 VanDerWaalsContact C-N 3.27Å; D138-L140 PolarHBondContact O-N 2.86Å; L140-I163 HydrophobicContact CD1-CD1 4.31Å; L140-I163 HydrophobicContact CD2-CD1 4.24Å; L140-A217 HydrophobicContact CB-CB 4.09Å; L140-A217 HydrophobicContact CD1-CB 3.87Å; L140-A217 HydrophobicContact CD2-CB 3.75Å; L140-A217 HydrophobicContact CG-CB 4.11Å; L140-R218 CarbonylContact C-O 3.55Å; L140-R218 WeakPolarHBondContact CA-O 3.32Å; L140-M219 HydrophobicContact CD2-CB 4.38Å; L140-M219 HydrophobicContact CD2-CE 3.44Å; L140-M219 VanDerWaalsContact CD2-CE 3.44Å; L140-M219 HydrophobicContact CG-CE 4.16Å
141E85.9Confident87.5Confident28 Ų2841.8 Ų41.813%0.13125%0.253CS..EExtended strand (participates in β ladder)trans-117.8140.2170.1-58.8-178.2174.200110.2A217 R218 R223E141-A217 CarbonylContact O-C 3.53Å; E141-A217 WeakPolarHBondContact O-CA 3.43Å; E141-R218 HydrophobicContact CB-CG 3.91Å; E141-R218 PolarHBondContact N-O 2.99Å; E141-R218 WeakPolarHBondContact O-CG 3.33Å; E141-R218 PolarHBondContact O-N 2.97Å; E141-R218 IonicContact OE2-CZ 3.85Å; E141-R218 IonicContact OE2-NE 3.89Å; E141-R218 PolarHBondContact OE2-NE 2.94Å; E141-R218 VanDerWaalsContact OE2-NE 3.14Å; E141-R218 IonicContact OE2-NH2 3.67Å; E141-R218 PolarHBondContact OE2-NH2 3.5Å; E141-R223 VanDerWaalsContact CD-NH1 3.34Å; E141-R223 IonicContact OE1-CZ 3.81Å; E141-R223 VanDerWaalsContact OE1-CZ 3.27Å; E141-R223 IonicContact OE1-NH1 3.38Å; E141-R223 PolarHBondContact OE1-NH1 2.91Å; E141-R223 IonicContact OE1-NH2 3.45Å; E141-R223 PolarHBondContact OE1-NH2 3.39Å
142P89.3Confident88.8Confident83 Ų8337.7 Ų37.754%0.53924%0.239SC..EExtended strand (participates in β ladder)trans-70.8136.2172.430-33.5000110.4
143V94.9Very high89.9Confident28 Ų2840.2 Ų40.217%0.1725%0.25CS..EExtended strand (participates in β ladder)trans-138.5151.2170.965.40000109.3F145 F162 C216 R218V143-F145 HydrophobicContact CB-CE2 4.38Å; V143-F145 HydrophobicContact CB-CZ 4.49Å; V143-F145 HydrophobicContact CG1-CE2 3.71Å; V143-F145 HydrophobicContact CG1-CZ 4.09Å; V143-F145 HydrophobicContact CG2-CE1 4.19Å; V143-F145 HydrophobicContact CG2-CE2 3.81Å; V143-F145 HydrophobicContact CG2-CZ 3.56Å; V143-F162 HydrophobicContact CG1-CD1 4.23Å; V143-F162 HydrophobicContact CG1-CE1 4.19Å; V143-C216 HydrophobicContact CG1-CB 3.74Å; V143-C216 PolarHBondContact N-O 3.44Å; V143-C216 PolarHBondContact O-N 2.86Å; V143-R218 HydrophobicContact CB-CG 4.31Å; V143-R218 HydrophobicContact CG1-CB 3.98Å; V143-R218 HydrophobicContact CG1-CG 4.08Å
144S97.5Very high90.4Very high81 Ų8140.2 Ų40.257%0.56625%0.252SS*.EExtended strand (participates in β ladder)trans-137146179.9-60.20000111.4L214S144-L214 CarbonylContact C-O 3.58Å; S144-L214 VanDerWaalsContact CA-O 3.22Å; S144-L214 WeakPolarHBondContact CA-O 3.49Å
145F98.4Very high91.3Very high44 Ų4442 Ų4219%0.19327%0.271CS..EExtended strand (participates in β ladder)trans-132.8145.6-179.8-52.4-86.8000109.7V143 T149 V151 F162 A210 L214V143-F145 HydrophobicContact CB-CE2 4.38Å; V143-F145 HydrophobicContact CB-CZ 4.49Å; V143-F145 HydrophobicContact CG1-CE2 3.71Å; V143-F145 HydrophobicContact CG1-CZ 4.09Å; V143-F145 HydrophobicContact CG2-CE1 4.19Å; V143-F145 HydrophobicContact CG2-CE2 3.81Å; V143-F145 HydrophobicContact CG2-CZ 3.56Å; F145-T149 HydrophobicContact CB-CG2 4.16Å; F145-T149 HydrophobicContact CD1-CG2 3.82Å; F145-T149 HydrophobicContact CG-CG2 4.4Å; F145-V151 HydrophobicContact CB-CG2 4.41Å; F145-V151 HydrophobicContact CD1-CG2 4.24Å; F145-V151 HydrophobicContact CD2-CG1 4.25Å; F145-V151 HydrophobicContact CD2-CG2 4Å; F145-V151 HydrophobicContact CE1-CG1 4.06Å; F145-V151 HydrophobicContact CE2-CG1 3.68Å; F145-V151 HydrophobicContact CE2-CG2 4.28Å; F145-V151 HydrophobicContact CG-CG2 3.96Å; F145-V151 HydrophobicContact CZ-CG1 3.58Å; F145-F162 HydrophobicContact CE2-CE1 4.4Å; F145-F162 HydrophobicContact CZ-CE1 4.2Å; F145-A210 HydrophobicContact CB-CB 4.37Å; F145-L214 HydrophobicContact CB-CB 4.29Å; F145-L214 HydrophobicContact CD2-CD2 3.92Å; F145-L214 HydrophobicContact CD2-CG 4.47Å; F145-L214 PolarHBondContact N-O 2.73Å; F145-L214 PolarHBondContact O-N 3.16Å
146T98.4Very high92.3Very high93 Ų9343.8 Ų43.857%0.57128%0.275SS*.  trans-78.4155.4172.547.40000110.6G148 T149 A210T146-G148 PolarHBondContact O-N 2.88Å; T146-T149 VanDerWaalsContact O-CB 3.27Å; T146-T149 WeakPolarHBondContact O-CB 3.47Å; T146-T149 PolarHBondContact O-N 3.34Å; T146-T149 VanDerWaalsContact O-N 3.13Å; T146-T149 PolarHBondContact O-OG1 3.17Å; T146-T149 PolarHBondContact OG1-OG1 2.95Å; T146-A210 WeakPolarHBondContact O-CB 3.5Å
147A98.4Very high93Very high54 Ų5449.1 Ų49.145%0.44631%0.309SS..THydrogen-bonded Turntrans-53.4139171.100000111.3T149 N213A147-T149 VanDerWaalsContact C-N 3.33Å; A147-N213 PolarHBondContact N-OD1 3.38Å
148G98.1Very high93.4Very high56 Ų5649.5 Ų49.558%0.57731%0.313SS*.THydrogen-bonded Turntrans85.6-8.7-175.200000115.1T146 V150 A210T146-G148 PolarHBondContact O-N 2.88Å; G148-V150 PolarHBondContact O-N 3.15Å; G148-A210 PolarHBondContact N-O 2.83Å
149T98.6Very high94.3Very high42 Ų4253.2 Ų53.226%0.25833%0.333SS..  trans-69.6128.1179.3-61.40000111.4F145 T146 A147 V151 V209 A210F145-T149 HydrophobicContact CB-CG2 4.16Å; F145-T149 HydrophobicContact CD1-CG2 3.82Å; F145-T149 HydrophobicContact CG-CG2 4.4Å; T146-T149 VanDerWaalsContact O-CB 3.27Å; T146-T149 WeakPolarHBondContact O-CB 3.47Å; T146-T149 PolarHBondContact O-N 3.34Å; T146-T149 VanDerWaalsContact O-N 3.13Å; T146-T149 PolarHBondContact O-OG1 3.17Å; T146-T149 PolarHBondContact OG1-OG1 2.95Å; A147-T149 VanDerWaalsContact C-N 3.33Å; T149-V151 PolarHBondContact O-N 3.18Å; T149-V209 WeakPolarHBondContact O-CA 3.3Å; T149-A210 PolarHBondContact O-N 3.08Å
150V98.3Very high95.1Very high77 Ų7755.5 Ų55.547%0.46734%0.344SS..EExtended strand (participates in β ladder)trans-73.7109.1166.3-179.90000108G148 V152 E153 T207 V209G148-V150 PolarHBondContact O-N 3.15Å; V150-V152 WeakPolarHBondContact CG1-O 3.44Å; V150-E153 HydrophobicContact CG1-CB 4.09Å; V150-T207 HydrophobicContact CG1-CG2 3.74Å; V150-V209 HydrophobicContact CG2-CG2 4.25Å
151V98.2Very high95.5Very high21 Ų2155.5 Ų55.513%0.12734%0.344CS..EExtended strand (participates in β ladder)trans-80.5-43.1-176.9-1760000110.7F145 T149 F162 F193 V208 A210 L214F145-V151 HydrophobicContact CB-CG2 4.41Å; F145-V151 HydrophobicContact CD1-CG2 4.24Å; F145-V151 HydrophobicContact CD2-CG1 4.25Å; F145-V151 HydrophobicContact CD2-CG2 4Å; F145-V151 HydrophobicContact CE1-CG1 4.06Å; F145-V151 HydrophobicContact CE2-CG1 3.68Å; F145-V151 HydrophobicContact CE2-CG2 4.28Å; F145-V151 HydrophobicContact CG-CG2 3.96Å; F145-V151 HydrophobicContact CZ-CG1 3.58Å; T149-V151 PolarHBondContact O-N 3.18Å; V151-F162 HydrophobicContact CG1-CE1 4.31Å; V151-F162 HydrophobicContact CG1-CZ 4.27Å; V151-F193 HydrophobicContact CB-CE2 4.4Å; V151-F193 HydrophobicContact CB-CZ 4.39Å; V151-F193 HydrophobicContact CG1-CE2 3.85Å; V151-F193 HydrophobicContact CG1-CZ 3.8Å; V151-V208 PolarHBondContact N-O 3.05Å; V151-A210 HydrophobicContact CG2-CB 4.39Å; V151-L214 HydrophobicContact CG2-CD2 3.91Å
152V97.4Very high95.9Very high15 Ų1554.3 Ų54.39%0.09134%0.338CS..EExtended strand (participates in β ladder)trans-138.9150.7169.3-59.70000108.9V150 F162 F193 R204 T207 V208V150-V152 WeakPolarHBondContact CG1-O 3.44Å; V152-F162 HydrophobicContact CG1-CE2 3.89Å; V152-F193 HydrophobicContact CG1-CE2 4.36Å; V152-F193 HydrophobicContact CG2-CD2 4.35Å; V152-F193 HydrophobicContact CG2-CE2 4.44Å; V152-R204 HydrophobicContact CB-CG 4.13Å; V152-T207 CarbonylContact O-C 3.58Å; V152-T207 VanDerWaalsContact O-CA 3.27Å; V152-T207 WeakPolarHBondContact O-CA 3.2Å; V152-T207 WeakPolarHBondContact O-CG2 3.34Å; V152-V208 HydrophobicContact CG2-CB 3.75Å; V152-V208 HydrophobicContact CG2-CG2 3.59Å; V152-V208 PolarHBondContact O-N 3.42Å
153E96.6Very high96.1Very high108 Ų10850.3 Ų50.351%0.50531%0.312SS..  trans-119.8131.4-177.1-174.9176.1-173.400110.6V150 G155 Q156 R204V150-E153 HydrophobicContact CG1-CB 4.09Å; E153-G155 PolarHBondContact O-N 3.29Å; E153-Q156 HydrophobicContact CB-CB 4.49Å; E153-Q156 HydrophobicContact CB-CG 3.83Å; E153-Q156 HydrophobicContact CG-CG 4.12Å; E153-Q156 WeakPolarHBondContact O-CB 3.39Å; E153-Q156 PolarHBondContact O-N 2.85Å; E153-Q156 VanDerWaalsContact O-N 3.16Å; E153-R204 VanDerWaalsContact O-CB 3.22Å; E153-R204 WeakPolarHBondContact O-CB 3.22Å
154Q94.7Very high96.1Very high30 Ų3049 Ų4914%0.1430%0.304CS..THydrogen-bonded Turntrans-52.5138.9177.6-176.7179.1-11.200111.5Q156 K174 R204 T207Q154-Q156 PolarHBondContact O-N 3.22Å; Q154-K174 PolarHBondContact NE2-O 3.37Å; Q154-R204 CarbonylContact C-O 3.53Å; Q154-R204 WeakPolarHBondContact CA-O 3.4Å; Q154-T207 PolarHBondContact N-OG1 2.83Å
155G93.8Very high95.9Very high41 Ų4146.7 Ų46.742%0.42329%0.286SS..THydrogen-bonded Turntrans78.4-12.1178.900000114.4E153 P203 R204E153-G155 PolarHBondContact O-N 3.29Å; G155-P203 WeakPolarHBondContact O-CB 3.12Å; G155-R204 PolarHBondContact N-O 3Å
156Q95.9Very high95.7Very high99 Ų9949.4 Ų49.446%0.46330%0.299SS..SBendtrans-78.3151.2171.9-61.8-55.8-43.700111.2E153 Q154 P203 R204E153-Q156 HydrophobicContact CB-CB 4.49Å; E153-Q156 HydrophobicContact CB-CG 3.83Å; E153-Q156 HydrophobicContact CG-CG 4.12Å; E153-Q156 WeakPolarHBondContact O-CB 3.39Å; E153-Q156 PolarHBondContact O-N 2.85Å; E153-Q156 VanDerWaalsContact O-N 3.16Å; Q154-Q156 PolarHBondContact O-N 3.22Å; Q156-P203 CarbonylContact O-C 3.5Å; Q156-P203 WeakPolarHBondContact O-CA 3.36Å; Q156-R204 WeakPolarHBondContact O-CG 3.37Å; Q156-R204 PolarHBondContact O-N 3.17Å
157P95.2Very high95.7Very high112 Ų11245.9 Ų45.973%0.72728%0.281SS*.  trans-55145.3168.5-24.534.8000111.8
158G92.8Very high95.7Very high8 Ų847.3 Ų47.38%0.08228%0.279CS..  trans-132.9125.2179.300000112.5R204 R221G158-R204 VanDerWaalsContact CA-CZ 3.46Å; G158-R204 VanDerWaalsContact CA-NE 3.29Å; G158-R221 PolarHBondContact O-NH2 3.2Å
159D93.6Very high95.7Very high97 Ų9744.7 Ų44.752%0.51925%0.251SS..  trans-127.24.6-179.565.7-22.4000113.5D220 R221D159-D220 CarbonylContact O-C 3.53Å; D159-D220 WeakPolarHBondContact O-CA 3.38Å; D159-R221 PolarHBondContact O-N 2.67Å
160E94.6Very high95.7Very high48 Ų4844.3 Ų44.322%0.22425%0.248CC..EExtended strand (participates in β ladder)trans-123.3145.4179.1-65.1177.6127.800112.7F162 R204 R218 M219E160-F162 HydrophobicContact CB-CE2 3.69Å; E160-F162 HydrophobicContact CB-CZ 3.69Å; E160-F162 WeakPolarHBondContact OE2-CZ 3.47Å; E160-R204 VanDerWaalsContact O-CZ 3.3Å; E160-R204 PolarHBondContact O-NH1 3.44Å; E160-R204 PolarHBondContact O-NH2 2.82Å; E160-R218 WeakPolarHBondContact OE1-CD 3.37Å; E160-R218 IonicContact OE1-CZ 3.24Å; E160-R218 IonicContact OE1-NE 2.89Å; E160-R218 IonicContact OE1-NH1 2.81Å; E160-R218 PolarHBondContact OE1-NH1 2.85Å; E160-M219 CarbonylContact C-O 3.57Å; E160-M219 WeakPolarHBondContact CA-O 3.2Å
161F94Very high95.6Very high1 Ų141.5 Ų41.50%0.00423%0.231CC..EExtended strand (participates in β ladder)trans-113.1144.4169.5168.4-101.1000110.1I163 Y192 F193 E195 L198 R218 M219 F224F161-I163 HydrophobicContact CD1-CG1 4.33Å; F161-I163 HydrophobicContact CE1-CD1 3.91Å; F161-I163 HydrophobicContact CE1-CG1 3.46Å; F161-I163 VanDerWaalsContact CE1-CG1 3.46Å; F161-I163 HydrophobicContact CZ-CG1 3.93Å; F161-Y192 AromaticContact CE2-CD2 3.52Å; F161-Y192 HydrophobicContact CE2-CD2 3.52Å; F161-Y192 HydrophobicContact CE2-CE2 4.42Å; F161-Y192 AromaticContact CE2-CG 3.83Å; F161-Y192 HydrophobicContact CE2-CG 3.83Å; F161-Y192 AromaticContact CZ-CD2 3.97Å; F161-Y192 HydrophobicContact CZ-CD2 3.97Å; F161-Y192 AromaticContact CZ-CG 3.81Å; F161-Y192 HydrophobicContact CZ-CG 3.81Å; F161-F193 WeakPolarHBondContact CD2-O 3.37Å; F161-E195 HydrophobicContact CD2-CB 3.81Å; F161-E195 HydrophobicContact CE2-CB 3.9Å; F161-L198 HydrophobicContact CB-CD1 3.67Å; F161-R218 CarbonylContact O-C 3.56Å; F161-R218 VanDerWaalsContact O-CA 3.24Å; F161-R218 WeakPolarHBondContact O-CA 3.25Å; F161-M219 HydrophobicContact CB-CG 3.91Å; F161-M219 HydrophobicContact CD1-CE 3.89Å; F161-M219 HydrophobicContact CD1-CG 3.82Å; F161-M219 HydrophobicContact CD1-SD 3.89Å; F161-M219 HydrophobicContact CE1-CE 4.16Å; F161-M219 HydrophobicContact CG-CG 4.35Å; F161-M219 PolarHBondContact N-O 3.13Å; F161-M219 PolarHBondContact O-N 2.79Å; F161-F224 HydrophobicContact CB-CD2 3.68Å; F161-F224 HydrophobicContact CB-CE2 4.02Å; F161-F224 HydrophobicContact CD1-CD2 4.04Å; F161-F224 HydrophobicContact CD1-CE2 4.18Å; F161-F224 HydrophobicContact CD2-CD2 4.31Å; F161-F224 AromaticContact CD2-CE2 3.82Å; F161-F224 HydrophobicContact CD2-CE2 3.82Å; F161-F224 HydrophobicContact CE2-CE2 4.26Å; F161-F224 AromaticContact CG-CD2 3.76Å; F161-F224 HydrophobicContact CG-CD2 3.76Å; F161-F224 AromaticContact CG-CE2 3.75Å; F161-F224 HydrophobicContact CG-CE2 3.75Å
162F95.8Very high95.4Very high2 Ų243 Ų431%0.00924%0.237CC..EExtended strand (participates in β ladder)trans-129.8139.6-174.2-58.6-92.6000111.8V143 F145 V151 V152 E160 Y192 F193 C216 A217 R218V143-F162 HydrophobicContact CG1-CD1 4.23Å; V143-F162 HydrophobicContact CG1-CE1 4.19Å; F145-F162 HydrophobicContact CE2-CE1 4.4Å; F145-F162 HydrophobicContact CZ-CE1 4.2Å; V151-F162 HydrophobicContact CG1-CE1 4.31Å; V151-F162 HydrophobicContact CG1-CZ 4.27Å; V152-F162 HydrophobicContact CG1-CE2 3.89Å; E160-F162 HydrophobicContact CB-CE2 3.69Å; E160-F162 HydrophobicContact CB-CZ 3.69Å; E160-F162 WeakPolarHBondContact OE2-CZ 3.47Å; F162-Y192 CarbonylContact O-C 3.59Å; F162-Y192 WeakPolarHBondContact O-CA 3.34Å; F162-Y192 WeakPolarHBondContact O-CB 3.19Å; F162-F193 HydrophobicContact CB-CD1 4.03Å; F162-F193 HydrophobicContact CB-CD2 4.12Å; F162-F193 HydrophobicContact CB-CE1 3.59Å; F162-F193 HydrophobicContact CB-CE2 3.7Å; F162-F193 HydrophobicContact CB-CG 4.28Å; F162-F193 HydrophobicContact CB-CZ 3.41Å; F162-F193 VanDerWaalsContact CB-CZ 3.41Å; F162-F193 HydrophobicContact CD1-CE2 4.46Å; F162-F193 HydrophobicContact CD1-CZ 4.24Å; F162-F193 AromaticContact CD2-CD2 3.78Å; F162-F193 HydrophobicContact CD2-CD2 3.78Å; F162-F193 AromaticContact CD2-CE2 3.27Å; F162-F193 HydrophobicContact CD2-CE2 3.27Å; F162-F193 AromaticContact CD2-CZ 3.82Å; F162-F193 HydrophobicContact CD2-CZ 3.82Å; F162-F193 AromaticContact CE2-CE2 3.98Å; F162-F193 HydrophobicContact CE2-CE2 3.98Å; F162-F193 HydrophobicContact CG-CD2 4.27Å; F162-F193 HydrophobicContact CG-CE1 4.27Å; F162-F193 AromaticContact CG-CE2 3.57Å; F162-F193 HydrophobicContact CG-CE2 3.57Å; F162-F193 AromaticContact CG-CZ 3.57Å; F162-F193 HydrophobicContact CG-CZ 3.57Å; F162-F193 PolarHBondContact N-O 2.91Å; F162-F193 PolarHBondContact O-N 2.79Å; F162-C216 HydrophobicContact CB-CB 4.4Å; F162-C216 HydrophobicContact CD1-CB 4.11Å; F162-A217 CarbonylContact C-O 3.53Å; F162-A217 WeakPolarHBondContact CA-O 3.2Å; F162-R218 HydrophobicContact CD1-CB 3.76Å; F162-R218 HydrophobicContact CE1-CB 3.77Å
163I93.5Very high95.1Very high0 Ų042.4 Ų42.40%023%0.233CC..EExtended strand (participates in β ladder)trans-116.8128.1167.2-49.5174.3000108.1F118 L119 V122 L125 L140 F161 L165 C216 A217F118-I163 HydrophobicContact CE1-CG2 3.69Å; F118-I163 HydrophobicContact CZ-CG2 4.24Å; L119-I163 HydrophobicContact CD2-CD1 3.77Å; V122-I163 HydrophobicContact CG2-CG2 3.95Å; L125-I163 HydrophobicContact CD1-CD1 4.16Å; L140-I163 HydrophobicContact CD1-CD1 4.31Å; L140-I163 HydrophobicContact CD2-CD1 4.24Å; F161-I163 HydrophobicContact CD1-CG1 4.33Å; F161-I163 HydrophobicContact CE1-CD1 3.91Å; F161-I163 HydrophobicContact CE1-CG1 3.46Å; F161-I163 VanDerWaalsContact CE1-CG1 3.46Å; F161-I163 HydrophobicContact CZ-CG1 3.93Å; I163-L165 PolarHBondContact O-N 2.74Å; I163-C216 CarbonylContact O-C 3.52Å; I163-C216 WeakPolarHBondContact O-CA 3.48Å; I163-C216 WeakPolarHBondContact O-CB 3.39Å; I163-A217 HydrophobicContact CB-CB 4.47Å; I163-A217 PolarHBondContact N-O 2.89Å; I163-A217 PolarHBondContact O-N 2.74Å
164I94.8Very high94.9Very high0 Ų041.8 Ų41.80%023%0.229CC..EExtended strand (participates in β ladder)trans-79.9117.9-176.9-59.6173.2000109.3F118 V169 L187 G188 P189 S190 D191 F193 L214F118-I164 WeakPolarHBondContact CZ-O 3.1Å; I164-V169 HydrophobicContact CD1-CG1 4.25Å; I164-V169 HydrophobicContact CD1-CG2 3.73Å; I164-L187 HydrophobicContact CD1-CB 3.68Å; I164-G188 WeakPolarHBondContact CB-O 3.36Å; I164-P189 WeakPolarHBondContact O-CA 3.49Å; I164-S190 PolarHBondContact O-N 2.81Å; I164-D191 HydrophobicContact CD1-CB 4.44Å; I164-D191 PolarHBondContact N-O 3Å; I164-F193 HydrophobicContact CD1-CD1 4.24Å; I164-F193 HydrophobicContact CD1-CE1 4.19Å; I164-F193 HydrophobicContact CG1-CD1 4.22Å; I164-F193 HydrophobicContact CG1-CE1 3.91Å; I164-L214 HydrophobicContact CG1-CD1 4.4Å; I164-L214 HydrophobicContact CG2-CD1 3.81Å
165L92.8Very high94.4Very high33 Ų3347.2 Ų47.217%0.17325%0.248CC..EExtended strand (participates in β ladder)trans-88.9-46.2177-55.1179.9000111.4Y115 F118 I163 K215 A217Y115-L165 HydrophobicContact CE1-CD1 4.07Å; Y115-L165 HydrophobicContact CE1-CD2 4.28Å; F118-L165 HydrophobicContact CD1-CD2 3.48Å; F118-L165 VanDerWaalsContact CD1-CD2 3.48Å; F118-L165 HydrophobicContact CD2-CD2 4.06Å; F118-L165 HydrophobicContact CE1-CD2 3.34Å; F118-L165 HydrophobicContact CE2-CD2 3.92Å; F118-L165 HydrophobicContact CG-CD2 3.87Å; F118-L165 HydrophobicContact CZ-CD2 3.58Å; I163-L165 PolarHBondContact O-N 2.74Å; L165-K215 WeakPolarHBondContact CA-O 3.49Å; L165-K215 HydrophobicContact CB-CB 4.34Å; L165-K215 WeakPolarHBondContact CB-O 3.21Å; L165-K215 PolarHBondContact N-O 2.88Å; L165-A217 HydrophobicContact CD1-CB 4.27Å; L165-A217 HydrophobicContact CD2-CB 4.11Å; L165-A217 HydrophobicContact CG-CB 4.3Å
166E95.1Very high94Very high101 Ų10149.4 Ų49.447%0.47225%0.253SS..EExtended strand (participates in β ladder)trans-145.6144.3-179.2-64.8174-146.600109.4L214 K215E166-L214 WeakPolarHBondContact O-CA 3.49Å; E166-K215 HydrophobicContact CB-CB 4.17Å; E166-K215 HydrophobicContact CB-CD 4.37Å; E166-K215 HydrophobicContact CB-CG 4.38Å; E166-K215 HydrophobicContact CG-CD 4.39Å; E166-K215 PolarHBondContact N-O 2.89Å; E166-K215 PolarHBondContact O-N 2.86Å; E166-K215 IonicContact OE1-NZ 2.79Å; E166-K215 PolarHBondContact OE1-NZ 3.14Å; E166-K215 WeakPolarHBondContact OE2-CE 3.38Å; E166-K215 IonicContact OE2-NZ 3.75Å; E166-K215 PolarHBondContact OE2-NZ 3.08Å
167G97.8Very high93.3Very high19 Ų1953.6 Ų53.620%0.19627%0.273CS..SBendtrans96.3-177.1179.200000114P189 T212G167-P189 WeakPolarHBondContact O-CD 3.38Å; G167-T212 WeakPolarHBondContact CA-OG1 3.4Å
168E98.2Very high92.8Very high84 Ų8455.8 Ų55.839%0.39328%0.278SS..  trans-130.4151.3-177.8-64178.8-174.300110.7L187 K211 T212E168-L187 WeakPolarHBondContact CA-O 3.23Å; E168-K211 HydrophobicContact CB-CB 4.3Å; E168-K211 HydrophobicContact CB-CD 4.31Å; E168-K211 WeakPolarHBondContact O-CB 3.33Å; E168-K211 PolarHBondContact O-N 2.82Å; E168-K211 IonicContact OE2-NZ 3.15Å; E168-K211 PolarHBondContact OE2-NZ 3.27Å; E168-T212 HydrophobicContact CB-CG2 4.46Å; E168-T212 PolarHBondContact N-OG1 2.79Å; E168-T212 PolarHBondContact O-N 2.89Å
169V98.5Very high92.5Very high0 Ų056.9 Ų56.90%028%0.284CS..EExtended strand (participates in β ladder)trans-130.3150.1173-54.10000111.6I164 H186 L187 V208 V209 L214I164-V169 HydrophobicContact CD1-CG1 4.25Å; I164-V169 HydrophobicContact CD1-CG2 3.73Å; V169-H186 WeakPolarHBondContact O-CA 3.4Å; V169-L187 HydrophobicContact CG2-CB 3.66Å; V169-L187 HydrophobicContact CG2-CD1 4.22Å; V169-L187 HydrophobicContact CG2-CG 4.25Å; V169-L187 PolarHBondContact N-O 2.93Å; V169-L187 PolarHBondContact O-N 3.4Å; V169-V208 HydrophobicContact CB-CG1 3.62Å; V169-V208 HydrophobicContact CG1-CG1 4.02Å; V169-V208 HydrophobicContact CG2-CG1 3.59Å; V169-V209 CarbonylContact C-O 3.57Å; V169-V209 WeakPolarHBondContact CA-O 3.33Å; V169-V209 WeakPolarHBondContact CB-O 3.48Å; V169-L214 HydrophobicContact CG1-CD1 3.57Å; V169-L214 HydrophobicContact CG1-CD2 3.4Å; V169-L214 VanDerWaalsContact CG1-CD2 3.4Å; V169-L214 HydrophobicContact CG1-CG 4.12Å
170D97.6Very high92.4Very high35 Ų3559.8 Ų59.819%0.18730%0.295CS..EExtended strand (participates in β ladder)trans-99130.4167.8-67.3-23.9000109.3M172 H186 V208 V209D170-M172 HydrophobicContact CB-CG 4.49Å; D170-H186 IonicContact OD1-CE1 2.78Å; D170-H186 PolarHBondContact OD1-CE1 3.1Å; D170-H186 IonicContact OD1-CG 2.61Å; D170-H186 IonicContact OD1-ND1 2.95Å; D170-H186 PolarHBondContact OD1-ND1 3.28Å; D170-V208 WeakPolarHBondContact O-CA 3.34Å; D170-V209 PolarHBondContact N-O 2.69Å; D170-V209 PolarHBondContact O-N 3.07Å
171V96Very high92.2Very high18 Ų1859.9 Ų59.911%0.10930%0.3CS..EExtended strand (participates in β ladder)trans-96.9118.7173-173.30000107.7V183 V184 G185 L187 A206 V208V171-V183 WeakPolarHBondContact O-CA 3.48Å; V171-V184 HydrophobicContact CB-CG2 4.21Å; V171-V184 HydrophobicContact CG1-CG2 3.82Å; V171-V184 WeakPolarHBondContact O-CG2 3.49Å; V171-V184 PolarHBondContact O-N 3.28Å; V171-G185 PolarHBondContact N-O 2.77Å; V171-G185 PolarHBondContact O-N 2.88Å; V171-L187 HydrophobicContact CG2-CD1 3.69Å; V171-L187 HydrophobicContact CG2-CG 3.86Å; V171-A206 HydrophobicContact CG1-CB 3.59Å; V171-V208 HydrophobicContact CG2-CG2 4.41Å
172M94.7Very high92.2Very high51 Ų5164 Ų6425%0.25132%0.319SS..EExtended strand (participates in β ladder)trans-118.6135.6-174.4-56.9-179.47300110.6D170 P181 E182 V183 A206 T207 V209D170-M172 HydrophobicContact CB-CG 4.49Å; M172-P181 HydrophobicContact CB-CB 4.4Å; M172-P181 HydrophobicContact CE-CB 3.84Å; M172-E182 CarbonylContact C-O 3.53Å; M172-E182 VanDerWaalsContact CA-O 3.23Å; M172-E182 WeakPolarHBondContact CA-O 3.25Å; M172-V183 HydrophobicContact CG-CG2 4.24Å; M172-A206 WeakPolarHBondContact O-CB 3.38Å; M172-T207 PolarHBondContact N-O 3.16Å; M172-T207 PolarHBondContact O-N 2.91Å; M172-V209 HydrophobicContact SD-CG2 3.91Å
173Q91.9Very high92.1Very high4 Ų467.4 Ų67.42%0.01934%0.34CS..EExtended strand (participates in β ladder)trans-132.1135.4178.7-169.1176.860.700111.8E182 V184 A205 A206 N247Q173-E182 PolarHBondContact N-O 2.96Å; Q173-E182 PolarHBondContact O-N 2.89Å; Q173-V184 HydrophobicContact CB-CG1 3.92Å; Q173-V184 HydrophobicContact CB-CG2 4.11Å; Q173-A205 PolarHBondContact NE2-O 2.95Å; Q173-A206 HydrophobicContact CB-CB 4.48Å; Q173-N247 PolarHBondContact NE2-O 3.22Å
174K90.7Very high92Very high95 Ų9568.9 Ų68.941%0.41335%0.349SS..  trans-88.2121.9162.3-66.6-175.7179.9-178.70109Q154 P181Q154-K174 PolarHBondContact NE2-O 3.37Å; K174-P181 HydrophobicContact CD-CG 4.27Å; K174-P181 HydrophobicContact CG-CB 4.19Å; K174-P181 HydrophobicContact CG-CG 3.77Å
175R85.6Confident91.8Very high144 Ų14470 Ų7054%0.54336%0.36SS..SBendtrans-78.9-30.5-179.8-60-173.1-167.7-148.31.7112.6S179 E182R175-S179 PolarHBondContact N-OG 2.91Å; R175-S179 VanDerWaalsContact N-OG 3.09Å; R175-E182 IonicContact CZ-OE2 3.27Å; R175-E182 VanDerWaalsContact CZ-OE2 3.24Å; R175-E182 IonicContact NE-OE2 2.89Å; R175-E182 PolarHBondContact NE-OE2 3.23Å; R175-E182 IonicContact NH2-OE2 3.46Å; R175-E182 PolarHBondContact NH2-OE2 2.85Å
176T84.6Confident92Very high87 Ų8774.3 Ų74.353%0.53438%0.379SS..SBendtrans-136.3161.2173.664.60000109.5D178 S179T176-D178 PolarHBondContact O-N 3.36Å; T176-S179 PolarHBondContact N-OG 2.88Å; T176-S179 PolarHBondContact O-N 2.82Å; T176-S179 VanDerWaalsContact O-N 3.11Å; T176-S179 PolarHBondContact O-OG 2.94Å; T176-S179 VanDerWaalsContact OG1-CB 3.3Å; T176-S179 WeakPolarHBondContact OG1-CB 3.24Å; T176-S179 PolarHBondContact OG1-N 3.01Å; T176-S179 PolarHBondContact OG1-OG 2.85Å
177E81.4Confident92Very high187 Ų18771.1 Ų71.187%0.87437%0.366SS*.THydrogen-bonded Turntrans-56.9-36.8-180-67.4-172.7165.300112.7
178D85.1Confident91.8Very high158 Ų15870.8 Ų70.885%0.84536%0.362SS*.THydrogen-bonded Turntrans-87.1-7.7-179-59.7-47.1000114.2T176T176-D178 PolarHBondContact O-N 3.36Å
179S87.2Confident91.6Very high30 Ų3070.5 Ų70.521%0.2137%0.367CS..SBendtrans-78147.5-178.764.70000112.5R175 T176R175-S179 PolarHBondContact N-OG 2.91Å; R175-S179 VanDerWaalsContact N-OG 3.09Å; T176-S179 PolarHBondContact N-OG 2.88Å; T176-S179 PolarHBondContact O-N 2.82Å; T176-S179 VanDerWaalsContact O-N 3.11Å; T176-S179 PolarHBondContact O-OG 2.94Å; T176-S179 VanDerWaalsContact OG1-CB 3.3Å; T176-S179 WeakPolarHBondContact OG1-CB 3.24Å; T176-S179 PolarHBondContact OG1-N 3.01Å; T176-S179 PolarHBondContact OG1-OG 2.85Å
180Q90.1Very high91.2Very high158 Ų15872 Ų7274%0.73838%0.378SS*.PPolyproline II helixtrans-67.7143.6166.8-68.2-61.1-40.400109.9E182Q180-E182 PolarHBondContact O-N 2.93Å
181P91.8Very high90.9Very high50 Ų5073.7 Ų73.733%0.32539%0.387SS..PPolyproline II helixtrans-57.6129.6171.8-23.533.3000111.8M172 K174M172-P181 HydrophobicContact CB-CB 4.4Å; M172-P181 HydrophobicContact CE-CB 3.84Å; K174-P181 HydrophobicContact CD-CG 4.27Å; K174-P181 HydrophobicContact CG-CB 4.19Å; K174-P181 HydrophobicContact CG-CG 3.77Å
182E93.4Very high90.8Very high89 Ų8973.9 Ų73.942%0.41639%0.386SS..EExtended strand (participates in β ladder)trans-105.8143.4172.9-66.6178.5172.700110.1M172 Q173 R175 Q180 V184M172-E182 CarbonylContact C-O 3.53Å; M172-E182 VanDerWaalsContact CA-O 3.23Å; M172-E182 WeakPolarHBondContact CA-O 3.25Å; Q173-E182 PolarHBondContact N-O 2.96Å; Q173-E182 PolarHBondContact O-N 2.89Å; R175-E182 IonicContact CZ-OE2 3.27Å; R175-E182 VanDerWaalsContact CZ-OE2 3.24Å; R175-E182 IonicContact NE-OE2 2.89Å; R175-E182 PolarHBondContact NE-OE2 3.23Å; R175-E182 IonicContact NH2-OE2 3.46Å; R175-E182 PolarHBondContact NH2-OE2 2.85Å; Q180-E182 PolarHBondContact O-N 2.93Å; E182-V184 PolarHBondContact O-N 2.91Å
183V93.3Very high90.7Very high72 Ų7271.8 Ų71.844%0.43638%0.376SS..EExtended strand (participates in β ladder)trans-72.9118.6169.7-179.40000108.5V171 M172V171-V183 WeakPolarHBondContact O-CA 3.48Å; M172-V183 HydrophobicContact CG-CG2 4.24Å
184V91.4Very high90.8Very high31 Ų3172.2 Ų72.219%0.18838%0.381CS..EExtended strand (participates in β ladder)trans-107.1-9.7-178.9-64.10000112.8V171 Q173 E182 V246V171-V184 HydrophobicContact CB-CG2 4.21Å; V171-V184 HydrophobicContact CG1-CG2 3.82Å; V171-V184 WeakPolarHBondContact O-CG2 3.49Å; V171-V184 PolarHBondContact O-N 3.28Å; Q173-V184 HydrophobicContact CB-CG1 3.92Å; Q173-V184 HydrophobicContact CB-CG2 4.11Å; E182-V184 PolarHBondContact O-N 2.91Å; V184-V246 HydrophobicContact CG2-CG2 4.21Å
185G91.7Very high90.8Very high24 Ų2468 Ų6825%0.24736%0.363CS..EExtended strand (participates in β ladder)trans-173.9164.5176.900000113.3V171V171-G185 PolarHBondContact N-O 2.77Å; V171-G185 PolarHBondContact O-N 2.88Å
186H95.3Very high91Very high123 Ų12362.1 Ų62.157%0.56934%0.342SS*.EExtended strand (participates in β ladder)trans-126.5133.7173.1-60-72.4000107.9V169 D170V169-H186 WeakPolarHBondContact O-CA 3.4Å; D170-H186 IonicContact OD1-CE1 2.78Å; D170-H186 PolarHBondContact OD1-CE1 3.1Å; D170-H186 IonicContact OD1-CG 2.61Å; D170-H186 IonicContact OD1-ND1 2.95Å; D170-H186 PolarHBondContact OD1-ND1 3.28Å
187L95.3Very high91.4Very high35 Ų3558.1 Ų58.118%0.18332%0.317CS..EExtended strand (participates in β ladder)trans-124.2145179-51.7173.1000109.7I164 E168 V169 V171 D191 F193I164-L187 HydrophobicContact CD1-CB 3.68Å; E168-L187 WeakPolarHBondContact CA-O 3.23Å; V169-L187 HydrophobicContact CG2-CB 3.66Å; V169-L187 HydrophobicContact CG2-CD1 4.22Å; V169-L187 HydrophobicContact CG2-CG 4.25Å; V169-L187 PolarHBondContact N-O 2.93Å; V169-L187 PolarHBondContact O-N 3.4Å; V171-L187 HydrophobicContact CG2-CD1 3.69Å; V171-L187 HydrophobicContact CG2-CG 3.86Å; L187-D191 WeakPolarHBondContact CA-OD2 3.28Å; L187-D191 HydrophobicContact CB-CB 3.81Å; L187-D191 HydrophobicContact CD2-CB 4.14Å; L187-D191 HydrophobicContact CG-CB 4.45Å; L187-F193 HydrophobicContact CD1-CB 4.08Å; L187-F193 HydrophobicContact CD1-CD1 4.43Å
188G94.8Very high91.8Very high12 Ų1249.5 Ų49.512%0.12428%0.277CS..  trans-136.6-162.3-177.900000112.8I164 S190 D191I164-G188 WeakPolarHBondContact CB-O 3.36Å; G188-S190 PolarHBondContact O-N 3.24Å; G188-D191 PolarHBondContact N-OD2 2.87Å; G188-D191 VanDerWaalsContact O-CB 3.28Å; G188-D191 WeakPolarHBondContact O-CB 3.46Å; G188-D191 PolarHBondContact O-N 2.88Å
189P93.2Very high92Very high77 Ų7743.9 Ų43.950%0.525%0.247SC..THydrogen-bonded Turntrans-55.6131.6-176.3-27.136.2000113.1I164 G167 D191I164-P189 WeakPolarHBondContact O-CA 3.49Å; G167-P189 WeakPolarHBondContact O-CD 3.38Å; P189-D191 VanDerWaalsContact C-N 3.28Å
190S90.2Very high92Very high33 Ų3345.6 Ų45.623%0.23125%0.254CS..THydrogen-bonded Turntrans79.2-7.3-174.9-34.90000116I164 G188I164-S190 PolarHBondContact O-N 2.81Å; G188-S190 PolarHBondContact O-N 3.24Å
191D91.6Very high92Very high70 Ų7044.1 Ų44.137%0.37425%0.251SS..  trans-76.3165.6165.9-64-42.3000110.8I164 L187 G188 P189I164-D191 HydrophobicContact CD1-CB 4.44Å; I164-D191 PolarHBondContact N-O 3Å; L187-D191 WeakPolarHBondContact CA-OD2 3.28Å; L187-D191 HydrophobicContact CB-CB 3.81Å; L187-D191 HydrophobicContact CD2-CB 4.14Å; L187-D191 HydrophobicContact CG-CB 4.45Å; G188-D191 PolarHBondContact N-OD2 2.87Å; G188-D191 VanDerWaalsContact O-CB 3.28Å; G188-D191 WeakPolarHBondContact O-CB 3.46Å; G188-D191 PolarHBondContact O-N 2.88Å; P189-D191 VanDerWaalsContact C-N 3.28Å
192Y92.6Very high91.9Very high21 Ų2145.9 Ų45.98%0.08225%0.251CS..EExtended strand (participates in β ladder)trans-139.9162.1-178.562-98.4000111.2I124 F161 F162 E195 L235 N238I124-Y192 HydrophobicContact CB-CE1 3.84Å; I124-Y192 HydrophobicContact CD1-CE1 3.86Å; I124-Y192 HydrophobicContact CD1-CE2 4.48Å; I124-Y192 VanDerWaalsContact CD1-OH 3.25Å; I124-Y192 WeakPolarHBondContact CD1-OH 3.2Å; I124-Y192 HydrophobicContact CG1-CE1 4.49Å; I124-Y192 HydrophobicContact CG2-CD1 3.72Å; I124-Y192 HydrophobicContact CG2-CE1 3.5Å; I124-Y192 VanDerWaalsContact CG2-CE1 3.5Å; F161-Y192 AromaticContact CE2-CD2 3.52Å; F161-Y192 HydrophobicContact CE2-CD2 3.52Å; F161-Y192 HydrophobicContact CE2-CE2 4.42Å; F161-Y192 AromaticContact CE2-CG 3.83Å; F161-Y192 HydrophobicContact CE2-CG 3.83Å; F161-Y192 AromaticContact CZ-CD2 3.97Å; F161-Y192 HydrophobicContact CZ-CD2 3.97Å; F161-Y192 AromaticContact CZ-CG 3.81Å; F161-Y192 HydrophobicContact CZ-CG 3.81Å; F162-Y192 CarbonylContact O-C 3.59Å; F162-Y192 WeakPolarHBondContact O-CA 3.34Å; F162-Y192 WeakPolarHBondContact O-CB 3.19Å; Y192-E195 HydrophobicContact CD2-CG 4.47Å; Y192-E195 HydrophobicContact CE2-CG 4.06Å; Y192-L235 HydrophobicContact CE2-CD2 3.96Å; Y192-N238 PolarHBondContact OH-ND2 3.26Å
193F94.3Very high91.9Very high8 Ų845 Ų454%0.03525%0.253CS..EExtended strand (participates in β ladder)trans-153.8164.7174.861.9-87.8000112.2V151 V152 F161 F162 I164 L187 E195 V208V151-F193 HydrophobicContact CB-CE2 4.4Å; V151-F193 HydrophobicContact CB-CZ 4.39Å; V151-F193 HydrophobicContact CG1-CE2 3.85Å; V151-F193 HydrophobicContact CG1-CZ 3.8Å; V152-F193 HydrophobicContact CG1-CE2 4.36Å; V152-F193 HydrophobicContact CG2-CD2 4.35Å; V152-F193 HydrophobicContact CG2-CE2 4.44Å; F161-F193 WeakPolarHBondContact CD2-O 3.37Å; F162-F193 HydrophobicContact CB-CD1 4.03Å; F162-F193 HydrophobicContact CB-CD2 4.12Å; F162-F193 HydrophobicContact CB-CE1 3.59Å; F162-F193 HydrophobicContact CB-CE2 3.7Å; F162-F193 HydrophobicContact CB-CG 4.28Å; F162-F193 HydrophobicContact CB-CZ 3.41Å; F162-F193 VanDerWaalsContact CB-CZ 3.41Å; F162-F193 HydrophobicContact CD1-CE2 4.46Å; F162-F193 HydrophobicContact CD1-CZ 4.24Å; F162-F193 AromaticContact CD2-CD2 3.78Å; F162-F193 HydrophobicContact CD2-CD2 3.78Å; F162-F193 AromaticContact CD2-CE2 3.27Å; F162-F193 HydrophobicContact CD2-CE2 3.27Å; F162-F193 AromaticContact CD2-CZ 3.82Å; F162-F193 HydrophobicContact CD2-CZ 3.82Å; F162-F193 AromaticContact CE2-CE2 3.98Å; F162-F193 HydrophobicContact CE2-CE2 3.98Å; F162-F193 HydrophobicContact CG-CD2 4.27Å; F162-F193 HydrophobicContact CG-CE1 4.27Å; F162-F193 AromaticContact CG-CE2 3.57Å; F162-F193 HydrophobicContact CG-CE2 3.57Å; F162-F193 AromaticContact CG-CZ 3.57Å; F162-F193 HydrophobicContact CG-CZ 3.57Å; F162-F193 PolarHBondContact N-O 2.91Å; F162-F193 PolarHBondContact O-N 2.79Å; I164-F193 HydrophobicContact CD1-CD1 4.24Å; I164-F193 HydrophobicContact CD1-CE1 4.19Å; I164-F193 HydrophobicContact CG1-CD1 4.22Å; I164-F193 HydrophobicContact CG1-CE1 3.91Å; L187-F193 HydrophobicContact CD1-CB 4.08Å; L187-F193 HydrophobicContact CD1-CD1 4.43Å; F193-E195 VanDerWaalsContact C-OE2 3.31Å; F193-E195 WeakPolarHBondContact CA-OE2 3.12Å; F193-V208 HydrophobicContact CD1-CG1 4.44Å; F193-V208 HydrophobicContact CD2-CB 4.3Å; F193-V208 HydrophobicContact CD2-CG1 4.24Å; F193-V208 HydrophobicContact CD2-CG2 3.93Å; F193-V208 HydrophobicContact CE1-CG1 4.31Å; F193-V208 HydrophobicContact CE2-CB 4.29Å; F193-V208 HydrophobicContact CE2-CG1 4.1Å; F193-V208 HydrophobicContact CE2-CG2 4.42Å; F193-V208 HydrophobicContact CG-CG1 4.41Å; F193-V208 HydrophobicContact CG-CG2 4.28Å; F193-V208 HydrophobicContact CZ-CG1 4.14Å
194G93.4Very high92Very high13 Ų1342.2 Ų42.213%0.13424%0.235CC..  trans94.1-3.4175.300000114.7I196 R204G194-I196 VanDerWaalsContact C-N 3.34Å; G194-I196 PolarHBondContact O-N 3.33Å; G194-R204 PolarHBondContact O-NH1 3.21Å; G194-R204 VanDerWaalsContact O-NH1 3.08Å
195E91.3Very high92Very high6 Ų641.3 Ų41.33%0.02823%0.23CC..Hα-helixtrans-64.6-32.9-179.375.3-63.1159.300113.3F161 Y192 F193 A197 L198 L199 F224 L235 Y242F161-E195 HydrophobicContact CD2-CB 3.81Å; F161-E195 HydrophobicContact CE2-CB 3.9Å; Y192-E195 HydrophobicContact CD2-CG 4.47Å; Y192-E195 HydrophobicContact CE2-CG 4.06Å; F193-E195 VanDerWaalsContact C-OE2 3.31Å; F193-E195 WeakPolarHBondContact CA-OE2 3.12Å; E195-A197 PolarHBondContact O-N 3.2Å; E195-L198 PolarHBondContact O-N 3.45Å; E195-L198 VanDerWaalsContact O-N 3.16Å; E195-L199 HydrophobicContact CB-CD1 3.96Å; E195-L199 HydrophobicContact CG-CD1 4.06Å; E195-L199 WeakPolarHBondContact O-CB 3.43Å; E195-L199 VanDerWaalsContact O-CG 3.32Å; E195-L199 WeakPolarHBondContact O-CG 3.24Å; E195-L199 PolarHBondContact O-N 3.38Å; E195-F224 HydrophobicContact CB-CE2 4.38Å; E195-F224 HydrophobicContact CB-CZ 4.19Å; E195-L235 HydrophobicContact CB-CD2 3.99Å; E195-L235 HydrophobicContact CG-CD2 4.01Å; E195-Y242 WeakPolarHBondContact OE1-CE2 3.23Å
196I90.1Very high92.1Very high21 Ų2140.7 Ų40.711%0.10822%0.223CC..Hα-helixtrans-59.7-46.9-178.8-69.5157.6000111.2G194 L198 L199 L200 A205 I239 Y242 L248G194-I196 VanDerWaalsContact C-N 3.34Å; G194-I196 PolarHBondContact O-N 3.33Å; I196-L198 PolarHBondContact O-N 2.95Å; I196-L199 PolarHBondContact O-N 2.93Å; I196-L200 HydrophobicContact CG2-CD1 4.08Å; I196-L200 WeakPolarHBondContact O-CB 3.35Å; I196-L200 PolarHBondContact O-N 3.42Å; I196-A205 HydrophobicContact CD1-CB 4.29Å; I196-A205 HydrophobicContact CG2-CB 4.21Å; I196-I239 HydrophobicContact CG1-CD1 3.92Å; I196-I239 HydrophobicContact CG1-CG1 3.81Å; I196-I239 HydrophobicContact CG1-CG2 4.37Å; I196-Y242 HydrophobicContact CD1-CD2 4.11Å; I196-L248 HydrophobicContact CD1-CD2 3.87Å; I196-L248 HydrophobicContact CG1-CD2 4.43Å; I196-L248 HydrophobicContact CG2-CD2 3.92Å
197A91.8Very high92.2Very high2 Ų236.1 Ų36.12%0.01720%0.204CC..Hα-helixtrans-62.3-33.3-179.600000111.5E195 D201 R202 R221E195-A197 PolarHBondContact O-N 3.2Å; A197-D201 WeakPolarHBondContact O-CA 3.4Å; A197-D201 PolarHBondContact O-N 3.02Å; A197-R202 WeakPolarHBondContact CA-O 3.41Å; A197-R202 VanDerWaalsContact CB-O 3.22Å; A197-R202 WeakPolarHBondContact CB-O 3.39Å; A197-R202 PolarHBondContact O-N 3.42Å; A197-R221 PolarHBondContact O-NH2 3.23Å
198L91.1Very high92.3Very high7 Ų734.8 Ų34.84%0.03720%0.197CC..Hα-helixtrans-76.9-48.6178.5-55.2-169000112.1F161 E195 I196 R221 F224F161-L198 HydrophobicContact CB-CD1 3.67Å; E195-L198 PolarHBondContact O-N 3.45Å; E195-L198 VanDerWaalsContact O-N 3.16Å; I196-L198 PolarHBondContact O-N 2.95Å; L198-R221 HydrophobicContact CD2-CB 4.05Å; L198-R221 HydrophobicContact CD2-CG 4.37Å; L198-R221 PolarHBondContact O-NH1 3.49Å; L198-F224 HydrophobicContact CB-CD1 3.92Å; L198-F224 HydrophobicContact CB-CE1 3.89Å; L198-F224 HydrophobicContact CB-CG 4.46Å; L198-F224 HydrophobicContact CB-CZ 4.4Å; L198-F224 HydrophobicContact CD1-CB 3.73Å; L198-F224 HydrophobicContact CD1-CD1 3.81Å; L198-F224 HydrophobicContact CD1-CD2 3.74Å; L198-F224 HydrophobicContact CD1-CE1 4.31Å; L198-F224 HydrophobicContact CD1-CE2 4.25Å; L198-F224 HydrophobicContact CD1-CG 3.49Å; L198-F224 VanDerWaalsContact CD1-CG 3.49Å; L198-F224 HydrophobicContact CD1-CZ 4.49Å
199L88.4Confident92.4Very high39 Ų3935.4 Ų35.420%0.20420%0.199CC..Hα-helixtrans-73.7-33.5-173.5-71.4163.4000113.8E195 I196 F224 L235 I239E195-L199 HydrophobicContact CB-CD1 3.96Å; E195-L199 HydrophobicContact CG-CD1 4.06Å; E195-L199 WeakPolarHBondContact O-CB 3.43Å; E195-L199 VanDerWaalsContact O-CG 3.32Å; E195-L199 WeakPolarHBondContact O-CG 3.24Å; E195-L199 PolarHBondContact O-N 3.38Å; I196-L199 PolarHBondContact O-N 2.93Å; L199-F224 HydrophobicContact CD1-CZ 4.22Å; L199-F224 HydrophobicContact CD2-CE1 3.78Å; L199-F224 HydrophobicContact CD2-CZ 4.13Å; L199-F224 HydrophobicContact CG-CE1 3.87Å; L199-F224 HydrophobicContact CG-CZ 3.96Å; L199-L235 HydrophobicContact CD1-CB 3.45Å; L199-L235 VanDerWaalsContact CD1-CB 3.45Å; L199-L235 HydrophobicContact CD1-CD1 4.24Å; L199-L235 HydrophobicContact CD1-CG 4.31Å; L199-I239 HydrophobicContact CB-CD1 4.21Å; L199-I239 HydrophobicContact CD1-CD1 3.85Å
200L87.6Confident92.7Very high67 Ų6731.8 Ų31.835%0.35118%0.175SC..Hα-helixtrans-104.6-2.9-176.8-55.7-172.8000113.4I196 R202 I239 L248I196-L200 HydrophobicContact CG2-CD1 4.08Å; I196-L200 WeakPolarHBondContact O-CB 3.35Å; I196-L200 PolarHBondContact O-N 3.42Å; L200-R202 HydrophobicContact CB-CG 4.22Å; L200-R202 PolarHBondContact O-N 2.82Å; L200-I239 HydrophobicContact CD1-CD1 4.5Å; L200-I239 HydrophobicContact CD1-CG2 4.41Å; L200-I239 HydrophobicContact CG-CD1 4.33Å; L200-L248 HydrophobicContact CD1-CD1 4.32Å
201D89.1Confident93.1Very high126 Ų12635.1 Ų35.167%0.67419%0.186SC*.THydrogen-bonded Turntrans51.153.2-174.5-161.535.5000112.5A197 R221A197-D201 WeakPolarHBondContact O-CA 3.4Å; A197-D201 PolarHBondContact O-N 3.02Å; D201-R221 IonicContact OD1-CZ 2.74Å; D201-R221 IonicContact OD1-NH1 3.96Å; D201-R221 IonicContact OD1-NH2 2.99Å
202R89.8Confident93.4Very high87 Ų8734.2 Ų34.233%0.32818%0.183SC..  trans-127.6160.9-178-72.4-172.3-176.6-179.90.3111.4A197 L200 L249A197-R202 WeakPolarHBondContact CA-O 3.41Å; A197-R202 VanDerWaalsContact CB-O 3.22Å; A197-R202 WeakPolarHBondContact CB-O 3.39Å; A197-R202 PolarHBondContact O-N 3.42Å; L200-R202 HydrophobicContact CB-CG 4.22Å; L200-R202 PolarHBondContact O-N 2.82Å; R202-L249 PolarHBondContact NH1-O 3.36Å
203P93.9Very high93.7Very high72 Ų7238.9 Ų38.947%0.46821%0.209SC..SBendtrans-56.1161.6167.2-22.333.5000112.3G155 Q156 A205G155-P203 WeakPolarHBondContact O-CB 3.12Å; Q156-P203 CarbonylContact O-C 3.5Å; Q156-P203 WeakPolarHBondContact O-CA 3.36Å; P203-A205 PolarHBondContact O-N 3.11Å
204R95.1Very high93.9Very high12 Ų1238.6 Ų38.65%0.04521%0.208CC..  trans-54.9126.1177-63.1-65.8-173.1-171.75.5110.2V152 E153 Q154 G155 Q156 G158 E160 G194 A206V152-R204 HydrophobicContact CB-CG 4.13Å; E153-R204 VanDerWaalsContact O-CB 3.22Å; E153-R204 WeakPolarHBondContact O-CB 3.22Å; Q154-R204 CarbonylContact C-O 3.53Å; Q154-R204 WeakPolarHBondContact CA-O 3.4Å; G155-R204 PolarHBondContact N-O 3Å; Q156-R204 WeakPolarHBondContact O-CG 3.37Å; Q156-R204 PolarHBondContact O-N 3.17Å; G158-R204 VanDerWaalsContact CA-CZ 3.46Å; G158-R204 VanDerWaalsContact CA-NE 3.29Å; E160-R204 VanDerWaalsContact O-CZ 3.3Å; E160-R204 PolarHBondContact O-NH1 3.44Å; E160-R204 PolarHBondContact O-NH2 2.82Å; G194-R204 PolarHBondContact O-NH1 3.21Å; G194-R204 VanDerWaalsContact O-NH1 3.08Å; R204-A206 VanDerWaalsContact C-N 3.31Å; R204-A206 PolarHBondContact O-N 3.43Å
205A91.6Very high94Very high12 Ų1242.1 Ų42.110%0.09922%0.22CC..SBendtrans-74.8-21.4-177.300000113.8Q173 I196 P203 V246 L248Q173-A205 PolarHBondContact NE2-O 2.95Å; I196-A205 HydrophobicContact CD1-CB 4.29Å; I196-A205 HydrophobicContact CG2-CB 4.21Å; P203-A205 PolarHBondContact O-N 3.11Å; A205-V246 HydrophobicContact CB-CG1 4.19Å; A205-L248 HydrophobicContact CB-CD2 3.81Å
206A93.8Very high94.2Very high12 Ų1241.9 Ų41.910%0.09922%0.219CC..SBendtrans-150.5158.6-178.800000110V171 M172 Q173 R204V171-A206 HydrophobicContact CG1-CB 3.59Å; M172-A206 WeakPolarHBondContact O-CB 3.38Å; Q173-A206 HydrophobicContact CB-CB 4.48Å; R204-A206 VanDerWaalsContact C-N 3.31Å; R204-A206 PolarHBondContact O-N 3.43Å
207T96.3Very high94.3Very high27 Ų2740.9 Ų40.917%0.16621%0.213CC..EExtended strand (participates in β ladder)trans-84.3137.1169.1-62.40000108.5V150 V152 Q154 M172 V209V150-T207 HydrophobicContact CG1-CG2 3.74Å; V152-T207 CarbonylContact O-C 3.58Å; V152-T207 VanDerWaalsContact O-CA 3.27Å; V152-T207 WeakPolarHBondContact O-CA 3.2Å; V152-T207 WeakPolarHBondContact O-CG2 3.34Å; Q154-T207 PolarHBondContact N-OG1 2.83Å; M172-T207 PolarHBondContact N-O 3.16Å; M172-T207 PolarHBondContact O-N 2.91Å; T207-V209 HydrophobicContact CG2-CG2 3.92Å
208V97.8Very high94.4Very high6 Ų644.5 Ų44.54%0.03623%0.226CC..EExtended strand (participates in β ladder)trans-118.4123.7175-178.80000108.4V151 V152 V169 D170 V171 F193V151-V208 PolarHBondContact N-O 3.05Å; V152-V208 HydrophobicContact CG2-CB 3.75Å; V152-V208 HydrophobicContact CG2-CG2 3.59Å; V152-V208 PolarHBondContact O-N 3.42Å; V169-V208 HydrophobicContact CB-CG1 3.62Å; V169-V208 HydrophobicContact CG1-CG1 4.02Å; V169-V208 HydrophobicContact CG2-CG1 3.59Å; D170-V208 WeakPolarHBondContact O-CA 3.34Å; V171-V208 HydrophobicContact CG2-CG2 4.41Å; F193-V208 HydrophobicContact CD1-CG1 4.44Å; F193-V208 HydrophobicContact CD2-CB 4.3Å; F193-V208 HydrophobicContact CD2-CG1 4.24Å; F193-V208 HydrophobicContact CD2-CG2 3.93Å; F193-V208 HydrophobicContact CE1-CG1 4.31Å; F193-V208 HydrophobicContact CE2-CB 4.29Å; F193-V208 HydrophobicContact CE2-CG1 4.1Å; F193-V208 HydrophobicContact CE2-CG2 4.42Å; F193-V208 HydrophobicContact CG-CG1 4.41Å; F193-V208 HydrophobicContact CG-CG2 4.28Å; F193-V208 HydrophobicContact CZ-CG1 4.14Å
209V98.3Very high94.4Very high26 Ų2644.2 Ų44.216%0.15823%0.225CC..EExtended strand (participates in β ladder)trans-117.4130.3-177-171.70000109.6T149 V150 V169 D170 M172 T207 K211T149-V209 WeakPolarHBondContact O-CA 3.3Å; V150-V209 HydrophobicContact CG2-CG2 4.25Å; V169-V209 CarbonylContact C-O 3.57Å; V169-V209 WeakPolarHBondContact CA-O 3.33Å; V169-V209 WeakPolarHBondContact CB-O 3.48Å; D170-V209 PolarHBondContact N-O 2.69Å; D170-V209 PolarHBondContact O-N 3.07Å; M172-V209 HydrophobicContact SD-CG2 3.91Å; T207-V209 HydrophobicContact CG2-CG2 3.92Å; V209-K211 PolarHBondContact O-N 2.76Å; V209-K211 VanDerWaalsContact O-N 3.16Å
210A98.7Very high94.5Very high1 Ų144.8 Ų44.81%0.00823%0.228CC..EExtended strand (participates in β ladder)trans-64.6112.6173.600000110F145 T146 G148 T149 V151 L214F145-A210 HydrophobicContact CB-CB 4.37Å; T146-A210 WeakPolarHBondContact O-CB 3.5Å; G148-A210 PolarHBondContact N-O 2.83Å; T149-A210 PolarHBondContact O-N 3.08Å; V151-A210 HydrophobicContact CG2-CB 4.39Å; A210-L214 HydrophobicContact CB-CB 4.05Å; A210-L214 HydrophobicContact CB-CD2 4.22Å
211K98Very high94.5Very high103 Ų10344.1 Ų44.145%0.44822%0.221SC..SBendtrans-79.8-35.1178-178.9-177.8169.8-1580111.2E168 V209E168-K211 HydrophobicContact CB-CB 4.3Å; E168-K211 HydrophobicContact CB-CD 4.31Å; E168-K211 WeakPolarHBondContact O-CB 3.33Å; E168-K211 PolarHBondContact O-N 2.82Å; E168-K211 IonicContact OE2-NZ 3.15Å; E168-K211 PolarHBondContact OE2-NZ 3.27Å; V209-K211 PolarHBondContact O-N 2.76Å; V209-K211 VanDerWaalsContact O-N 3.16Å
212T98.5Very high94.1Very high51 Ų5141.4 Ų41.431%0.31322%0.216SC..SBendtrans-119.3178.217167.20000110G167 E168 L214G167-T212 WeakPolarHBondContact CA-OG1 3.4Å; E168-T212 HydrophobicContact CB-CG2 4.46Å; E168-T212 PolarHBondContact N-OG1 2.79Å; E168-T212 PolarHBondContact O-N 2.89Å; T212-L214 PolarHBondContact O-N 2.87Å
213N98.4Very high93.7Very high118 Ų11838.8 Ų38.863%0.63121%0.206SC*.  trans-55.3129.7161.2-69.8-17.2000108.5A147A147-N213 PolarHBondContact N-OD1 3.38Å
214L98.4Very high93.3Very high2 Ų235.7 Ų35.71%0.0119%0.185CC..EExtended strand (participates in β ladder)trans-121.5131.1-167.4-175.572.6000109.2S144 F145 V151 I164 E166 V169 A210 T212S144-L214 CarbonylContact C-O 3.58Å; S144-L214 VanDerWaalsContact CA-O 3.22Å; S144-L214 WeakPolarHBondContact CA-O 3.49Å; F145-L214 HydrophobicContact CB-CB 4.29Å; F145-L214 HydrophobicContact CD2-CD2 3.92Å; F145-L214 HydrophobicContact CD2-CG 4.47Å; F145-L214 PolarHBondContact N-O 2.73Å; F145-L214 PolarHBondContact O-N 3.16Å; V151-L214 HydrophobicContact CG2-CD2 3.91Å; I164-L214 HydrophobicContact CG1-CD1 4.4Å; I164-L214 HydrophobicContact CG2-CD1 3.81Å; E166-L214 WeakPolarHBondContact O-CA 3.49Å; V169-L214 HydrophobicContact CG1-CD1 3.57Å; V169-L214 HydrophobicContact CG1-CD2 3.4Å; V169-L214 VanDerWaalsContact CG1-CD2 3.4Å; V169-L214 HydrophobicContact CG1-CG 4.12Å; A210-L214 HydrophobicContact CB-CB 4.05Å; A210-L214 HydrophobicContact CB-CD2 4.22Å; T212-L214 PolarHBondContact O-N 2.87Å
215K96.9Very high92.6Very high88 Ų8840.7 Ų40.738%0.38321%0.209SC..EExtended strand (participates in β ladder)trans-115.4126.3167.1-60.9-176.1-171.4152.70108.7L165 E166L165-K215 WeakPolarHBondContact CA-O 3.49Å; L165-K215 HydrophobicContact CB-CB 4.34Å; L165-K215 WeakPolarHBondContact CB-O 3.21Å; L165-K215 PolarHBondContact N-O 2.88Å; E166-K215 HydrophobicContact CB-CB 4.17Å; E166-K215 HydrophobicContact CB-CD 4.37Å; E166-K215 HydrophobicContact CB-CG 4.38Å; E166-K215 HydrophobicContact CG-CD 4.39Å; E166-K215 PolarHBondContact N-O 2.89Å; E166-K215 PolarHBondContact O-N 2.86Å; E166-K215 IonicContact OE1-NZ 2.79Å; E166-K215 PolarHBondContact OE1-NZ 3.14Å; E166-K215 WeakPolarHBondContact OE2-CE 3.38Å; E166-K215 IonicContact OE2-NZ 3.75Å; E166-K215 PolarHBondContact OE2-NZ 3.08Å
216C95.5Very high91.8Very high1 Ų144.9 Ų44.91%0.00722%0.223CC..EExtended strand (participates in β ladder)trans-121.7157176.5-62.90000111.1V143 F162 I163V143-C216 HydrophobicContact CG1-CB 3.74Å; V143-C216 PolarHBondContact N-O 3.44Å; V143-C216 PolarHBondContact O-N 2.86Å; F162-C216 HydrophobicContact CB-CB 4.4Å; F162-C216 HydrophobicContact CD1-CB 4.11Å; I163-C216 CarbonylContact O-C 3.52Å; I163-C216 WeakPolarHBondContact O-CA 3.48Å; I163-C216 WeakPolarHBondContact O-CB 3.39Å
217A92.4Very high91Very high0 Ų044.7 Ų44.70%022%0.22CC..EExtended strand (participates in β ladder)trans-98121.3157.800000107.6Y115 L140 E141 F162 I163 L165Y115-A217 HydrophobicContact CD1-CB 4.46Å; Y115-A217 HydrophobicContact CE1-CB 3.59Å; L140-A217 HydrophobicContact CB-CB 4.09Å; L140-A217 HydrophobicContact CD1-CB 3.87Å; L140-A217 HydrophobicContact CD2-CB 3.75Å; L140-A217 HydrophobicContact CG-CB 4.11Å; E141-A217 CarbonylContact O-C 3.53Å; E141-A217 WeakPolarHBondContact O-CA 3.43Å; F162-A217 CarbonylContact C-O 3.53Å; F162-A217 WeakPolarHBondContact CA-O 3.2Å; I163-A217 HydrophobicContact CB-CB 4.47Å; I163-A217 PolarHBondContact N-O 2.89Å; I163-A217 PolarHBondContact O-N 2.74Å; L165-A217 HydrophobicContact CD1-CB 4.27Å; L165-A217 HydrophobicContact CD2-CB 4.11Å; L165-A217 HydrophobicContact CG-CB 4.3Å
218R93.8Very high90.3Very high77 Ų7743.6 Ų43.629%0.29121%0.213SC..EExtended strand (participates in β ladder)trans-107.6152.2179.970.3170.2-171.7173.4-2111.9L140 E141 V143 E160 F161 F162L140-R218 CarbonylContact C-O 3.55Å; L140-R218 WeakPolarHBondContact CA-O 3.32Å; E141-R218 HydrophobicContact CB-CG 3.91Å; E141-R218 PolarHBondContact N-O 2.99Å; E141-R218 WeakPolarHBondContact O-CG 3.33Å; E141-R218 PolarHBondContact O-N 2.97Å; E141-R218 IonicContact OE2-CZ 3.85Å; E141-R218 IonicContact OE2-NE 3.89Å; E141-R218 PolarHBondContact OE2-NE 2.94Å; E141-R218 VanDerWaalsContact OE2-NE 3.14Å; E141-R218 IonicContact OE2-NH2 3.67Å; E141-R218 PolarHBondContact OE2-NH2 3.5Å; V143-R218 HydrophobicContact CB-CG 4.31Å; V143-R218 HydrophobicContact CG1-CB 3.98Å; V143-R218 HydrophobicContact CG1-CG 4.08Å; E160-R218 WeakPolarHBondContact OE1-CD 3.37Å; E160-R218 IonicContact OE1-CZ 3.24Å; E160-R218 IonicContact OE1-NE 2.89Å; E160-R218 IonicContact OE1-NH1 2.81Å; E160-R218 PolarHBondContact OE1-NH1 2.85Å; F161-R218 CarbonylContact O-C 3.56Å; F161-R218 VanDerWaalsContact O-CA 3.24Å; F161-R218 WeakPolarHBondContact O-CA 3.25Å; F162-R218 HydrophobicContact CD1-CB 3.76Å; F162-R218 HydrophobicContact CE1-CB 3.77Å
219M89.8Confident89.2Confident1 Ų145 Ų451%0.00523%0.229CC..EExtended strand (participates in β ladder)trans-139.3144.2164.965.4179.471.700110.2V136 L140 E160 F161 R223 F224 V227 M228V136-M219 HydrophobicContact CG1-CE 4.01Å; L140-M219 HydrophobicContact CD2-CB 4.38Å; L140-M219 HydrophobicContact CD2-CE 3.44Å; L140-M219 VanDerWaalsContact CD2-CE 3.44Å; L140-M219 HydrophobicContact CG-CE 4.16Å; E160-M219 CarbonylContact C-O 3.57Å; E160-M219 WeakPolarHBondContact CA-O 3.2Å; F161-M219 HydrophobicContact CB-CG 3.91Å; F161-M219 HydrophobicContact CD1-CE 3.89Å; F161-M219 HydrophobicContact CD1-CG 3.82Å; F161-M219 HydrophobicContact CD1-SD 3.89Å; F161-M219 HydrophobicContact CE1-CE 4.16Å; F161-M219 HydrophobicContact CG-CG 4.35Å; F161-M219 PolarHBondContact N-O 3.13Å; F161-M219 PolarHBondContact O-N 2.79Å; M219-R223 HydrophobicContact CB-CB 4.33Å; M219-F224 HydrophobicContact CG-CB 4.13Å; M219-F224 HydrophobicContact CG-CD2 4.32Å; M219-F224 HydrophobicContact SD-CB 3.79Å; M219-F224 HydrophobicContact SD-CD2 3.69Å; M219-F224 HydrophobicContact SD-CG 4.19Å; M219-V227 HydrophobicContact CE-CG2 4.5Å; M219-V227 HydrophobicContact SD-CG2 4.3Å; M219-M228 HydrophobicContact CE-CG 4.24Å; M219-M228 HydrophobicContact CE-SD 4.15Å; M219-M228 HydrophobicContact SD-CG 3.8Å; M219-M228 HydrophobicContact SD-SD 4.48Å
220D90.2Very high87.8Confident51 Ų5147.3 Ų47.327%0.27324%0.244SC..EExtended strand (participates in β ladder)trans-74.5167.2173.666.248.5000112.2D159 A222 R223 F224D159-D220 CarbonylContact O-C 3.53Å; D159-D220 WeakPolarHBondContact O-CA 3.38Å; D220-A222 PolarHBondContact O-N 3.04Å; D220-A222 PolarHBondContact OD1-N 3.28Å; D220-A222 VanDerWaalsContact OD1-N 3.1Å; D220-R223 PolarHBondContact O-N 3.24Å; D220-R223 WeakPolarHBondContact OD1-CB 3.47Å; D220-R223 VanDerWaalsContact OD1-CG 3.25Å; D220-R223 WeakPolarHBondContact OD1-CG 3.34Å; D220-R223 PolarHBondContact OD1-N 2.97Å; D220-R223 WeakPolarHBondContact OD2-CD 3.2Å; D220-R223 IonicContact OD2-CZ 2.74Å; D220-R223 IonicContact OD2-NE 2.81Å; D220-R223 PolarHBondContact OD2-NE 3.31Å; D220-R223 IonicContact OD2-NH2 3.36Å; D220-F224 WeakPolarHBondContact O-CB 3.4Å; D220-F224 PolarHBondContact O-N 2.84Å
221R87.6Confident86.7Confident54 Ų5447.2 Ų47.220%0.20424%0.244CC..Hα-helixtrans-53.4-48.4178.7177.6177.1-70.8-83.42.6112.9G158 D159 A197 L198 D201 R223 F224 E225G158-R221 PolarHBondContact O-NH2 3.2Å; D159-R221 PolarHBondContact O-N 2.67Å; A197-R221 PolarHBondContact O-NH2 3.23Å; L198-R221 HydrophobicContact CD2-CB 4.05Å; L198-R221 HydrophobicContact CD2-CG 4.37Å; L198-R221 PolarHBondContact O-NH1 3.49Å; D201-R221 IonicContact OD1-CZ 2.74Å; D201-R221 IonicContact OD1-NH1 3.96Å; D201-R221 IonicContact OD1-NH2 2.99Å; R221-R223 VanDerWaalsContact C-N 3.29Å; R221-R223 PolarHBondContact O-N 3.39Å; R221-F224 PolarHBondContact O-N 3.21Å; R221-E225 HydrophobicContact CG-CG 4.36Å; R221-E225 WeakPolarHBondContact CG-OE1 3.44Å; R221-E225 IonicContact NH1-OE1 2.64Å; R221-E225 WeakPolarHBondContact O-CB 3.45Å; R221-E225 WeakPolarHBondContact O-CG 3.19Å; R221-E225 PolarHBondContact O-N 3.42Å
222A80.7Confident85.7Confident69 Ų6943.8 Ų43.857%0.5723%0.233SC*.Hα-helixtrans-63.4-37.9-17600000111.6D220 R226D220-A222 PolarHBondContact O-N 3.04Å; D220-A222 PolarHBondContact OD1-N 3.28Å; D220-A222 VanDerWaalsContact OD1-N 3.1Å; A222-R226 WeakPolarHBondContact O-CB 3.27Å; A222-R226 PolarHBondContact O-N 2.83Å
223R81.4Confident84.6Confident31 Ų3147.1 Ų47.112%0.11725%0.245CC..Hα-helixtrans-71.4-46.2174.1-68.5175.7-160.3-179.24.3111.1V5 A139 E141 M219 D220 R221 E225 R226 V227V5-R223 VanDerWaalsContact CG2-CZ 3.4Å; A139-R223 HydrophobicContact CB-CB 4.15Å; A139-R223 WeakPolarHBondContact O-CD 3.49Å; A139-R223 PolarHBondContact O-NH1 3.43Å; A139-R223 VanDerWaalsContact O-NH1 3.17Å; E141-R223 VanDerWaalsContact CD-NH1 3.34Å; E141-R223 IonicContact OE1-CZ 3.81Å; E141-R223 VanDerWaalsContact OE1-CZ 3.27Å; E141-R223 IonicContact OE1-NH1 3.38Å; E141-R223 PolarHBondContact OE1-NH1 2.91Å; E141-R223 IonicContact OE1-NH2 3.45Å; E141-R223 PolarHBondContact OE1-NH2 3.39Å; M219-R223 HydrophobicContact CB-CB 4.33Å; D220-R223 PolarHBondContact O-N 3.24Å; D220-R223 WeakPolarHBondContact OD1-CB 3.47Å; D220-R223 VanDerWaalsContact OD1-CG 3.25Å; D220-R223 WeakPolarHBondContact OD1-CG 3.34Å; D220-R223 PolarHBondContact OD1-N 2.97Å; D220-R223 WeakPolarHBondContact OD2-CD 3.2Å; D220-R223 IonicContact OD2-CZ 2.74Å; D220-R223 IonicContact OD2-NE 2.81Å; D220-R223 PolarHBondContact OD2-NE 3.31Å; D220-R223 IonicContact OD2-NH2 3.36Å; R221-R223 VanDerWaalsContact C-N 3.29Å; R221-R223 PolarHBondContact O-N 3.39Å; R223-E225 PolarHBondContact O-N 3.29Å; R223-R226 WeakPolarHBondContact O-CB 3.49Å; R223-R226 PolarHBondContact O-N 3.42Å; R223-R226 VanDerWaalsContact O-N 3.11Å; R223-V227 WeakPolarHBondContact O-CG2 3.42Å; R223-V227 PolarHBondContact O-N 3.15Å
224F85.7Confident83.7Confident7 Ų742.7 Ų42.73%0.03122%0.221CC..Hα-helixtrans-54.9-52.9178.4-179.5-88.2000111.5F161 E195 L198 L199 M219 D220 R221 R226 V227 M228 L235F161-F224 HydrophobicContact CB-CD2 3.68Å; F161-F224 HydrophobicContact CB-CE2 4.02Å; F161-F224 HydrophobicContact CD1-CD2 4.04Å; F161-F224 HydrophobicContact CD1-CE2 4.18Å; F161-F224 HydrophobicContact CD2-CD2 4.31Å; F161-F224 AromaticContact CD2-CE2 3.82Å; F161-F224 HydrophobicContact CD2-CE2 3.82Å; F161-F224 HydrophobicContact CE2-CE2 4.26Å; F161-F224 AromaticContact CG-CD2 3.76Å; F161-F224 HydrophobicContact CG-CD2 3.76Å; F161-F224 AromaticContact CG-CE2 3.75Å; F161-F224 HydrophobicContact CG-CE2 3.75Å; E195-F224 HydrophobicContact CB-CE2 4.38Å; E195-F224 HydrophobicContact CB-CZ 4.19Å; L198-F224 HydrophobicContact CB-CD1 3.92Å; L198-F224 HydrophobicContact CB-CE1 3.89Å; L198-F224 HydrophobicContact CB-CG 4.46Å; L198-F224 HydrophobicContact CB-CZ 4.4Å; L198-F224 HydrophobicContact CD1-CB 3.73Å; L198-F224 HydrophobicContact CD1-CD1 3.81Å; L198-F224 HydrophobicContact CD1-CD2 3.74Å; L198-F224 HydrophobicContact CD1-CE1 4.31Å; L198-F224 HydrophobicContact CD1-CE2 4.25Å; L198-F224 HydrophobicContact CD1-CG 3.49Å; L198-F224 VanDerWaalsContact CD1-CG 3.49Å; L198-F224 HydrophobicContact CD1-CZ 4.49Å; L199-F224 HydrophobicContact CD1-CZ 4.22Å; L199-F224 HydrophobicContact CD2-CE1 3.78Å; L199-F224 HydrophobicContact CD2-CZ 4.13Å; L199-F224 HydrophobicContact CG-CE1 3.87Å; L199-F224 HydrophobicContact CG-CZ 3.96Å; M219-F224 HydrophobicContact CG-CB 4.13Å; M219-F224 HydrophobicContact CG-CD2 4.32Å; M219-F224 HydrophobicContact SD-CB 3.79Å; M219-F224 HydrophobicContact SD-CD2 3.69Å; M219-F224 HydrophobicContact SD-CG 4.19Å; D220-F224 WeakPolarHBondContact O-CB 3.4Å; D220-F224 PolarHBondContact O-N 2.84Å; R221-F224 PolarHBondContact O-N 3.21Å; F224-R226 PolarHBondContact O-N 2.88Å; F224-V227 PolarHBondContact O-N 2.64Å; F224-M228 HydrophobicContact CD1-CB 4.49Å; F224-M228 HydrophobicContact CD2-CB 4.12Å; F224-M228 HydrophobicContact CD2-CG 3.65Å; F224-M228 HydrophobicContact CE1-CB 4.5Å; F224-M228 HydrophobicContact CE2-CB 4.13Å; F224-M228 HydrophobicContact CE2-CG 3.91Å; F224-M228 HydrophobicContact CG-CB 4.31Å; F224-M228 HydrophobicContact CG-CG 4.16Å; F224-M228 HydrophobicContact CZ-CB 4.34Å; F224-M228 WeakPolarHBondContact O-CA 3.37Å; F224-M228 VanDerWaalsContact O-CB 3.23Å; F224-M228 WeakPolarHBondContact O-CB 3.22Å; F224-M228 PolarHBondContact O-N 2.92Å; F224-L235 HydrophobicContact CE2-CD1 4.12Å; F224-L235 HydrophobicContact CZ-CD1 3.66Å
225E82Confident82.8Confident118 Ų11842.6 Ų42.655%0.55122%0.22SC*.Hα-helixtrans-59.5-33.4178.6-71.4171.9-174.200112.3R221 R223R221-E225 HydrophobicContact CG-CG 4.36Å; R221-E225 WeakPolarHBondContact CG-OE1 3.44Å; R221-E225 IonicContact NH1-OE1 2.64Å; R221-E225 WeakPolarHBondContact O-CB 3.45Å; R221-E225 WeakPolarHBondContact O-CG 3.19Å; R221-E225 PolarHBondContact O-N 3.42Å; R223-E225 PolarHBondContact O-N 3.29Å
226R74.5Confident82.1Confident100 Ų10043 Ų4338%0.37722%0.222SC..Hα-helixtrans-76.6-39.6-179.9-178.2174.459.487.32.3113.6A222 R223 F224A222-R226 WeakPolarHBondContact O-CB 3.27Å; A222-R226 PolarHBondContact O-N 2.83Å; R223-R226 WeakPolarHBondContact O-CB 3.49Å; R223-R226 PolarHBondContact O-N 3.42Å; R223-R226 VanDerWaalsContact O-N 3.11Å; F224-R226 PolarHBondContact O-N 2.88Å
227V77.2Confident81.3Confident8 Ų850.6 Ų50.65%0.04825%0.25CS..Hα-helixtrans-109.7-23.5-168.7-49.40000114.2T135 V136 A139 M219 R223 F224 G229T135-V227 HydrophobicContact CG2-CB 4.25Å; T135-V227 HydrophobicContact CG2-CG1 3.74Å; V136-V227 HydrophobicContact CG2-CB 4.25Å; V136-V227 HydrophobicContact CG2-CG2 4Å; A139-V227 HydrophobicContact CB-CG1 4.14Å; A139-V227 HydrophobicContact CB-CG2 3.95Å; M219-V227 HydrophobicContact CE-CG2 4.5Å; M219-V227 HydrophobicContact SD-CG2 4.3Å; R223-V227 WeakPolarHBondContact O-CG2 3.42Å; R223-V227 PolarHBondContact O-N 3.15Å; F224-V227 PolarHBondContact O-N 2.64Å; V227-G229 VanDerWaalsContact C-N 3.33Å
228M80.2Confident80.7Confident3 Ų352.3 Ų52.32%0.01526%0.26CS..SBendtrans-91.96.3179.7-61.9-64.8-6800112.8L125 V136 M219 F224 C231 S232 L235L125-M228 HydrophobicContact CD2-CE 3.69Å; L125-M228 HydrophobicContact CD2-SD 3.93Å; V136-M228 HydrophobicContact CG1-SD 4.23Å; V136-M228 HydrophobicContact CG2-SD 3.99Å; M219-M228 HydrophobicContact CE-CG 4.24Å; M219-M228 HydrophobicContact CE-SD 4.15Å; M219-M228 HydrophobicContact SD-CG 3.8Å; M219-M228 HydrophobicContact SD-SD 4.48Å; F224-M228 HydrophobicContact CD1-CB 4.49Å; F224-M228 HydrophobicContact CD2-CB 4.12Å; F224-M228 HydrophobicContact CD2-CG 3.65Å; F224-M228 HydrophobicContact CE1-CB 4.5Å; F224-M228 HydrophobicContact CE2-CB 4.13Å; F224-M228 HydrophobicContact CE2-CG 3.91Å; F224-M228 HydrophobicContact CG-CB 4.31Å; F224-M228 HydrophobicContact CG-CG 4.16Å; F224-M228 HydrophobicContact CZ-CB 4.34Å; F224-M228 WeakPolarHBondContact O-CA 3.37Å; F224-M228 VanDerWaalsContact O-CB 3.23Å; F224-M228 WeakPolarHBondContact O-CB 3.22Å; F224-M228 PolarHBondContact O-N 2.92Å; M228-C231 HydrophobicContact CE-CB 3.82Å; M228-C231 CarbonylContact O-C 3.54Å; M228-C231 WeakPolarHBondContact O-CA 3.47Å; M228-C231 WeakPolarHBondContact O-CB 3.37Å; M228-C231 PolarHBondContact O-N 2.81Å; M228-S232 PolarHBondContact O-N 3.29Å; M228-L235 HydrophobicContact CB-CD1 4.32Å; M228-L235 HydrophobicContact CE-CD1 3.93Å
229G74.3Confident79.9Confident35 Ų3549 Ų4936%0.36125%0.248SC..G310 helixtrans-47.6-51.5176.400000113.7V227 C231 S232V227-G229 VanDerWaalsContact C-N 3.33Å; G229-C231 PolarHBondContact O-N 2.87Å; G229-S232 VanDerWaalsContact O-CB 3.24Å; G229-S232 WeakPolarHBondContact O-CB 3.38Å; G229-S232 PolarHBondContact O-N 2.78Å; G229-S232 PolarHBondContact O-OG 2.96Å
230P70.6Confident79Confident75 Ų7551.9 Ų51.949%0.48727%0.271SS..G310 helixtrans-60.7-30.9176.5-23.433.9000113.8L128 E132L128-P230 HydrophobicContact CD2-CB 3.74Å; L128-P230 HydrophobicContact CD2-CG 4.29Å; E132-P230 WeakPolarHBondContact OE1-CG 3.06Å
231C75.5Confident78Confident0 Ų054 Ų540%028%0.283CS..G310 helixtrans-85.4-8.4177.2-63.80000113.7I124 L128 M228 G229 E233 I234 L235I124-C231 HydrophobicContact CG1-CB 4.44Å; I124-C231 PolarHBondContact O-SG 3.22Å; L128-C231 WeakPolarHBondContact CD2-SG 3.06Å; M228-C231 HydrophobicContact CE-CB 3.82Å; M228-C231 CarbonylContact O-C 3.54Å; M228-C231 WeakPolarHBondContact O-CA 3.47Å; M228-C231 WeakPolarHBondContact O-CB 3.37Å; M228-C231 PolarHBondContact O-N 2.81Å; G229-C231 PolarHBondContact O-N 2.87Å; C231-E233 VanDerWaalsContact C-N 3.33Å; C231-E233 PolarHBondContact O-N 2.74Å; C231-I234 WeakPolarHBondContact O-CB 3.45Å; C231-I234 PolarHBondContact O-N 2.93Å; C231-I234 VanDerWaalsContact O-N 3.08Å; C231-L235 HydrophobicContact CB-CD1 4.09Å; C231-L235 HydrophobicContact CB-CG 4.45Å; C231-L235 WeakPolarHBondContact O-CG 3.37Å; C231-L235 PolarHBondContact O-N 3.07Å
232S75.7Confident77.1Confident30 Ų3054.4 Ų54.421%0.2129%0.285CS..Hα-helixtrans-58.6-40.6-168.762.60000113.2M228 G229 L235 K236M228-S232 PolarHBondContact O-N 3.29Å; G229-S232 VanDerWaalsContact O-CB 3.24Å; G229-S232 WeakPolarHBondContact O-CB 3.38Å; G229-S232 PolarHBondContact O-N 2.78Å; G229-S232 PolarHBondContact O-OG 2.96Å; S232-L235 PolarHBondContact O-N 3.42Å; S232-K236 WeakPolarHBondContact O-CB 3.46Å; S232-K236 VanDerWaalsContact O-CG 3.3Å; S232-K236 WeakPolarHBondContact O-CG 3.49Å; S232-K236 PolarHBondContact O-N 2.78Å
233E76.8Confident76Confident122 Ų12255.3 Ų55.357%0.5728%0.28SS*.Hα-helixtrans-69.9-36.2177.9-66.7-55.7119.600112.3C231 K236 R237C231-E233 VanDerWaalsContact C-N 3.33Å; C231-E233 PolarHBondContact O-N 2.74Å; E233-K236 IonicContact OE1-NZ 3.29Å; E233-K236 PolarHBondContact OE1-NZ 2.85Å; E233-R237 WeakPolarHBondContact O-CB 2.95Å; E233-R237 PolarHBondContact O-N 3.47Å
234I77.9Confident74.9Confident25 Ų2557.9 Ų57.913%0.12830%0.303CS..Hα-helixtrans-66.1-44.3174.8-55.6167.5000109.8I124 D127 C231 R237 N238I124-I234 HydrophobicContact CD1-CB 4.29Å; I124-I234 HydrophobicContact CD1-CG2 3.79Å; I124-I234 HydrophobicContact CG1-CB 4.19Å; I124-I234 HydrophobicContact CG1-CG2 3.74Å; D127-I234 HydrophobicContact CB-CD1 4.1Å; D127-I234 WeakPolarHBondContact OD2-CD1 3.45Å; C231-I234 WeakPolarHBondContact O-CB 3.45Å; C231-I234 PolarHBondContact O-N 2.93Å; C231-I234 VanDerWaalsContact O-N 3.08Å; I234-R237 PolarHBondContact O-N 3.25Å; I234-N238 VanDerWaalsContact O-CG 3.32Å; I234-N238 PolarHBondContact O-N 3.48Å
235L81.2Confident73.4Confident0 Ų065.3 Ų65.30%033%0.332CS..Hα-helixtrans-60.4-50.1177.2-71.4158.7000110.6I124 Y192 E195 L199 F224 M228 C231 S232 R237 N238 I239I124-L235 HydrophobicContact CD1-CB 4.2Å; I124-L235 HydrophobicContact CD1-CD2 3.26Å; I124-L235 HydrophobicContact CD1-CG 3.48Å; I124-L235 VanDerWaalsContact CD1-CG 3.48Å; I124-L235 HydrophobicContact CG1-CD2 4.2Å; I124-L235 HydrophobicContact CG1-CG 4.21Å; Y192-L235 HydrophobicContact CE2-CD2 3.96Å; E195-L235 HydrophobicContact CB-CD2 3.99Å; E195-L235 HydrophobicContact CG-CD2 4.01Å; L199-L235 HydrophobicContact CD1-CB 3.45Å; L199-L235 VanDerWaalsContact CD1-CB 3.45Å; L199-L235 HydrophobicContact CD1-CD1 4.24Å; L199-L235 HydrophobicContact CD1-CG 4.31Å; F224-L235 HydrophobicContact CE2-CD1 4.12Å; F224-L235 HydrophobicContact CZ-CD1 3.66Å; M228-L235 HydrophobicContact CB-CD1 4.32Å; M228-L235 HydrophobicContact CE-CD1 3.93Å; C231-L235 HydrophobicContact CB-CD1 4.09Å; C231-L235 HydrophobicContact CB-CG 4.45Å; C231-L235 WeakPolarHBondContact O-CG 3.37Å; C231-L235 PolarHBondContact O-N 3.07Å; S232-L235 PolarHBondContact O-N 3.42Å; L235-R237 VanDerWaalsContact C-N 3.33Å; L235-R237 PolarHBondContact O-N 2.85Å; L235-N238 PolarHBondContact O-N 2.8Å; L235-N238 VanDerWaalsContact O-N 3.11Å; L235-I239 WeakPolarHBondContact O-CG1 3.27Å; L235-I239 PolarHBondContact O-N 2.81Å
236K81.5Confident72.2Confident95 Ų9560.3 Ų60.341%0.41331%0.309SS..Hα-helixtrans-59.2-40.7176.7-72.7174-167.61650112.6S232 E233 N238 I239 A240S232-K236 WeakPolarHBondContact O-CB 3.46Å; S232-K236 VanDerWaalsContact O-CG 3.3Å; S232-K236 WeakPolarHBondContact O-CG 3.49Å; S232-K236 PolarHBondContact O-N 2.78Å; E233-K236 IonicContact OE1-NZ 3.29Å; E233-K236 PolarHBondContact OE1-NZ 2.85Å; K236-N238 VanDerWaalsContact C-N 3.32Å; K236-N238 PolarHBondContact O-N 2.82Å; K236-I239 WeakPolarHBondContact O-CB 3.49Å; K236-I239 PolarHBondContact O-N 2.88Å; K236-A240 PolarHBondContact O-N 3.35Å
237R78.3Confident71.7Confident161 Ų16160.2 Ų60.261%0.60832%0.316SS*.Hα-helixtrans-63.3-39.8175.5-174.6179.465.2-168-3.6111.6E233 I234 L235 I239 A240E233-R237 WeakPolarHBondContact O-CB 2.95Å; E233-R237 PolarHBondContact O-N 3.47Å; I234-R237 PolarHBondContact O-N 3.25Å; L235-R237 VanDerWaalsContact C-N 3.33Å; L235-R237 PolarHBondContact O-N 2.85Å; R237-I239 VanDerWaalsContact C-N 3.28Å; R237-I239 PolarHBondContact O-N 2.83Å; R237-A240 WeakPolarHBondContact O-CB 3.24Å; R237-A240 PolarHBondContact O-N 3.5Å
238N79.4Confident70.9Confident36 Ų3661.5 Ų61.519%0.19332%0.323CS..Hα-helixtrans-67.2-30.5176.6-70.3-7.1000112.1Y192 I234 L235 K236 A240 N241 Y242Y192-N238 PolarHBondContact OH-ND2 3.26Å; I234-N238 VanDerWaalsContact O-CG 3.32Å; I234-N238 PolarHBondContact O-N 3.48Å; L235-N238 PolarHBondContact O-N 2.8Å; L235-N238 VanDerWaalsContact O-N 3.11Å; K236-N238 VanDerWaalsContact C-N 3.32Å; K236-N238 PolarHBondContact O-N 2.82Å; N238-A240 VanDerWaalsContact C-N 3.27Å; N238-A240 PolarHBondContact O-N 2.96Å; N238-N241 WeakPolarHBondContact O-CA 3.22Å; N238-N241 WeakPolarHBondContact O-CB 3.35Å; N238-N241 PolarHBondContact O-N 3.16Å; N238-Y242 HydrophobicContact CB-CE2 4.43Å; N238-Y242 WeakPolarHBondContact O-CD2 3.45Å; N238-Y242 PolarHBondContact O-N 3.21Å; N238-Y242 VanDerWaalsContact O-N 3.17Å
239I77.1Confident69.7Low9 Ų965.9 Ų65.95%0.04635%0.346CS..Hα-helixtrans-57.5-40.6171.2-63.8174.9000111.9I196 L199 L200 L235 K236 R237 N241 Y242 N243 L248I196-I239 HydrophobicContact CG1-CD1 3.92Å; I196-I239 HydrophobicContact CG1-CG1 3.81Å; I196-I239 HydrophobicContact CG1-CG2 4.37Å; L199-I239 HydrophobicContact CB-CD1 4.21Å; L199-I239 HydrophobicContact CD1-CD1 3.85Å; L200-I239 HydrophobicContact CD1-CD1 4.5Å; L200-I239 HydrophobicContact CD1-CG2 4.41Å; L200-I239 HydrophobicContact CG-CD1 4.33Å; L235-I239 WeakPolarHBondContact O-CG1 3.27Å; L235-I239 PolarHBondContact O-N 2.81Å; K236-I239 WeakPolarHBondContact O-CB 3.49Å; K236-I239 PolarHBondContact O-N 2.88Å; R237-I239 VanDerWaalsContact C-N 3.28Å; R237-I239 PolarHBondContact O-N 2.83Å; I239-N241 PolarHBondContact O-N 2.89Å; I239-Y242 HydrophobicContact CG1-CD2 4.44Å; I239-Y242 WeakPolarHBondContact O-CB 3.22Å; I239-Y242 PolarHBondContact O-N 3.09Å; I239-N243 PolarHBondContact O-N 2.98Å; I239-L248 HydrophobicContact CG2-CD1 3.49Å; I239-L248 VanDerWaalsContact CG2-CD1 3.49Å
240A70.4Confident68.4Low60 Ų6072.4 Ų72.450%0.49638%0.379SS..Hα-helixtrans-62.3-28.3176.500000112.7K236 R237 N238K236-A240 PolarHBondContact O-N 3.35Å; R237-A240 WeakPolarHBondContact O-CB 3.24Å; R237-A240 PolarHBondContact O-N 3.5Å; N238-A240 VanDerWaalsContact C-N 3.27Å; N238-A240 PolarHBondContact O-N 2.96Å
241N69.9Low68.3Low96 Ų9672.3 Ų72.351%0.51337%0.373SS..Hα-helixtrans-74.3-35.2173.9-59.8-30.4000111.4N238 I239 N243 S244N238-N241 WeakPolarHBondContact O-CA 3.22Å; N238-N241 WeakPolarHBondContact O-CB 3.35Å; N238-N241 PolarHBondContact O-N 3.16Å; I239-N241 PolarHBondContact O-N 2.89Å; N241-N243 VanDerWaalsContact C-N 3.27Å; N241-N243 PolarHBondContact O-N 3.37Å; N241-S244 PolarHBondContact O-N 3.01Å; N241-S244 PolarHBondContact O-OG 2.99Å
242Y68Low67.9Low63 Ų6376.1 Ų76.125%0.24739%0.393CS..Hα-helixtrans-65-29.7175.3-58.5-50.2000112.6E195 I196 N238 I239 S244 Y245 V246E195-Y242 WeakPolarHBondContact OE1-CE2 3.23Å; I196-Y242 HydrophobicContact CD1-CD2 4.11Å; N238-Y242 HydrophobicContact CB-CE2 4.43Å; N238-Y242 WeakPolarHBondContact O-CD2 3.45Å; N238-Y242 PolarHBondContact O-N 3.21Å; N238-Y242 VanDerWaalsContact O-N 3.17Å; I239-Y242 HydrophobicContact CG1-CD2 4.44Å; I239-Y242 WeakPolarHBondContact O-CB 3.22Å; I239-Y242 PolarHBondContact O-N 3.09Å; Y242-S244 PolarHBondContact O-N 3.45Å; Y242-Y245 CarbonylContact O-C 3.57Å; Y242-Y245 WeakPolarHBondContact O-CA 3.44Å; Y242-Y245 PolarHBondContact O-N 2.73Å; Y242-V246 WeakPolarHBondContact O-CB 3.38Å; Y242-V246 PolarHBondContact O-N 2.95Å
243N58.5Low67.5Low88 Ų8878.6 Ų78.647%0.47140%0.403SS..THydrogen-bonded Turntrans-55.1-20.4176-72.9-26.3000113.9I239 N241 Y245 L248I239-N243 PolarHBondContact O-N 2.98Å; N241-N243 VanDerWaalsContact C-N 3.27Å; N241-N243 PolarHBondContact O-N 3.37Å; N243-Y245 VanDerWaalsContact C-N 3.31Å; N243-L248 WeakPolarHBondContact OD1-CD1 3.3Å; N243-L248 VanDerWaalsContact OD1-CG 3.24Å; N243-L248 WeakPolarHBondContact OD1-CG 3.35Å
244S58.8Low66.9Low85 Ų8576.1 Ų76.159%0.59439%0.393SS*.THydrogen-bonded Turntrans-75.7-16.9173.463.20000114.1N241 Y242N241-S244 PolarHBondContact O-N 3.01Å; N241-S244 PolarHBondContact O-OG 2.99Å; Y242-S244 PolarHBondContact O-N 3.45Å
245Y53.5Low66.3Low162 Ų16279.3 Ų79.364%0.63541%0.41SS*.THydrogen-bonded Turntrans-125-24.3-176.2-56.4-76.8000114.1Y242 N243Y242-Y245 CarbonylContact O-C 3.57Å; Y242-Y245 WeakPolarHBondContact O-CA 3.44Å; Y242-Y245 PolarHBondContact O-N 2.73Å; N243-Y245 VanDerWaalsContact C-N 3.31Å
246V57.3Low65.3Low14 Ų1484.5 Ų84.59%0.08544%0.437CS..  trans-127.5116.4-169.3-177.70000108.3V184 A205 Y242 L248V184-V246 HydrophobicContact CG2-CG2 4.21Å; A205-V246 HydrophobicContact CB-CG1 4.19Å; Y242-V246 WeakPolarHBondContact O-CB 3.38Å; Y242-V246 PolarHBondContact O-N 2.95Å; V246-L248 HydrophobicContact CG1-CD2 4.24Å; V246-L248 PolarHBondContact O-N 3.3Å
247N64.3Low64.1Low97 Ų9783.8 Ų83.852%0.51944%0.439SS..  trans-69.5102.9168.9-93.1-16.3000108.3Q173 L249Q173-N247 PolarHBondContact NE2-O 3.22Å; N247-L249 PolarHBondContact O-N 3.25Å
248L60.2Low63Low35 Ų3577.8 Ų77.818%0.18343%0.426CS..  trans-68.5103.1170.1-62.4-178.5000107.8I196 L200 A205 I239 N243 V246 T250I196-L248 HydrophobicContact CD1-CD2 3.87Å; I196-L248 HydrophobicContact CG1-CD2 4.43Å; I196-L248 HydrophobicContact CG2-CD2 3.92Å; L200-L248 HydrophobicContact CD1-CD1 4.32Å; A205-L248 HydrophobicContact CB-CD2 3.81Å; I239-L248 HydrophobicContact CG2-CD1 3.49Å; I239-L248 VanDerWaalsContact CG2-CD1 3.49Å; N243-L248 WeakPolarHBondContact OD1-CD1 3.3Å; N243-L248 VanDerWaalsContact OD1-CG 3.24Å; N243-L248 WeakPolarHBondContact OD1-CG 3.35Å; V246-L248 HydrophobicContact CG1-CD2 4.24Å; V246-L248 PolarHBondContact O-N 3.3Å; L248-T250 PolarHBondContact O-N 3.11Å
249L53.8Low61.6Low95 Ų9581.3 Ų81.350%0.49745%0.445SS..  trans-50.4129.1171.3-67.2168.6000108.4R202 N247R202-L249 PolarHBondContact NH1-O 3.36Å; N247-L249 PolarHBondContact O-N 3.25Å
250T48Very low60.2Low172 Ų17287.9 Ų87.9100%1.05548%0.481SS*.  trans-73.40178.3470000111.7L248L248-T250 PolarHBondContact O-N 3.11Å

Retrieved 250 of 250 residues in 76.9 ms (Link to these results)

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