A0A077ZKL7_TRITR Loading...

UDP-3-O-acyl-N-acetylglucosamine deacetylase

Involved in the biosynthesis of lipid A, a phosphorylated glycolipid that in bacteria anchors the lipopolysaccharide to the outer membrane of the cell. Lipid A-like molecules in plants may serve as structural components of the outer membranes of mitochondria and/or chloroplasts, or may be involved in signal transduction or plant defense responses.

AlphaFold DB (P0A725), UniProt , Accession A0A077ZKL7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 305 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
1M86.7Confident96.4Very high80 Ų8051.5 Ų51.539%0.39423%0.23SC..  0133.40178.8-174.871.200107.8K3 A126 Q288M1-K3 HydrophobicContact CE-CG 3.94Å; M1-K3 PolarHBondContact O-N 3.25Å; M1-A126 HydrophobicContact CG-CB 4.13Å; M1-A126 HydrophobicContact SD-CB 3.6Å; M1-A126 VanDerWaalsContact SD-CB 3.6Å; M1-Q288 WeakPolarHBondContact CA-O 3.48Å; M1-Q288 PolarHBondContact N-O 2.66Å
2I92.4Very high96.5Very high15 Ų1557.4 Ų57.48%0.07726%0.258CS..PPolyproline II helixtrans-69.4118.8171.4-52.1-53.7000108.6K127 F129 F287 D290 L293I2-K127 HydrophobicContact CG2-CB 4.03Å; I2-K127 HydrophobicContact CG2-CD 4.13Å; I2-K127 PolarHBondContact O-N 3.41Å; I2-F129 HydrophobicContact CG2-CE2 4.27Å; I2-F129 HydrophobicContact CG2-CZ 4.28Å; I2-F287 HydrophobicContact CG1-CB 3.68Å; I2-F287 PolarHBondContact N-O 2.97Å; I2-D290 WeakPolarHBondContact CD1-OD1 3.49Å; I2-L293 HydrophobicContact CD1-CB 4.19Å; I2-L293 HydrophobicContact CD1-CD2 3.84Å; I2-L293 HydrophobicContact CD1-CG 4.48Å; I2-L293 HydrophobicContact CG1-CB 4.27Å; I2-L293 HydrophobicContact CG1-CD1 4.2Å; I2-L293 HydrophobicContact CG1-CD2 4.1Å; I2-L293 HydrophobicContact CG1-CG 4.42Å; I2-L293 HydrophobicContact CG2-CD2 4.32Å
3K95.2Very high96.7Very high69 Ų6954.2 Ų54.230%0.325%0.248SC..EExtended strand (participates in β ladder)trans-93.7150-172.5-73.8177.3-171.3169.60112.1M1 E122 L123 C125M1-K3 HydrophobicContact CE-CG 3.94Å; M1-K3 PolarHBondContact O-N 3.25Å; K3-E122 HydrophobicContact CB-CB 4.08Å; K3-E122 HydrophobicContact CB-CG 4.46Å; K3-E122 HydrophobicContact CD-CB 3.94Å; K3-L123 WeakPolarHBondContact CB-O 3.48Å; K3-L123 WeakPolarHBondContact CG-O 3.09Å; K3-C125 CarbonylContact C-O 3.29Å; K3-C125 WeakPolarHBondContact CA-O 3.47Å
4Q97.4Very high96.8Very high9 Ų955.7 Ų55.74%0.04226%0.264CS..EExtended strand (participates in β ladder)trans-64.9147.1169-70.7-178.49.900110.8N34 D90 N91 L123 C125 A126 K127Q4-N34 PolarHBondContact NE2-OD1 2.73Å; Q4-D90 VanDerWaalsContact CA-OD2 3.3Å; Q4-D90 WeakPolarHBondContact CA-OD2 3.41Å; Q4-D90 HydrophobicContact CB-CB 4.13Å; Q4-D90 HydrophobicContact CG-CB 4.28Å; Q4-N91 PolarHBondContact OE1-ND2 2.78Å; Q4-L123 HydrophobicContact CB-CB 4.43Å; Q4-L123 PolarHBondContact O-N 3.27Å; Q4-C125 HydrophobicContact CG-CB 4.48Å; Q4-C125 PolarHBondContact N-O 3.47Å; Q4-A126 WeakPolarHBondContact CG-O 3.42Å; Q4-A126 PolarHBondContact NE2-O 3.23Å; Q4-K127 HydrophobicContact CG-CB 4.33Å
5R97.8Very high96.8Very high34 Ų3453.2 Ų53.213%0.12826%0.259CS..EExtended strand (participates in β ladder)trans-110.3148.8178-70.2173.4172.91706.4113L87 G88 I89 D90 N91 I120 D121R5-L87 PolarHBondContact NH1-O 3.46Å; R5-G88 WeakPolarHBondContact CB-O 3.43Å; R5-G88 WeakPolarHBondContact CD-O 3.47Å; R5-I89 HydrophobicContact CB-CD1 4.31Å; R5-D90 PolarHBondContact N-OD2 2.81Å; R5-D90 PolarHBondContact O-N 3.4Å; R5-N91 PolarHBondContact O-N 2.99Å; R5-I120 HydrophobicContact CB-CG2 3.93Å; R5-I120 HydrophobicContact CG-CG2 3.86Å; R5-D121 VanDerWaalsContact CA-O 3.32Å; R5-D121 WeakPolarHBondContact CA-O 3.35Å
6T98.5Very high96.9Very high5 Ų553.8 Ų53.83%0.03127%0.266CS..EExtended strand (participates in β ladder)trans-142.1-176.2172.7-167.90000108.8P30 A31 N91 I120 D121 L123T6-P30 WeakPolarHBondContact OG1-CA 3.44Å; T6-A31 PolarHBondContact OG1-N 2.88Å; T6-A31 PolarHBondContact OG1-O 3.18Å; T6-N91 WeakPolarHBondContact CA-O 3.35Å; T6-N91 WeakPolarHBondContact CB-O 3.26Å; T6-N91 PolarHBondContact OG1-O 2.99Å; T6-I120 WeakPolarHBondContact O-CA 3.36Å; T6-D121 HydrophobicContact CG2-CB 3.96Å; T6-D121 PolarHBondContact N-O 3.28Å; T6-D121 PolarHBondContact O-N 2.69Å; T6-L123 HydrophobicContact CG2-CD1 3.85Å; T6-L123 HydrophobicContact CG2-CD2 3.81Å; T6-L123 HydrophobicContact CG2-CG 3.75Å
7L98.5Very high96.9Very high3 Ų350.6 Ų50.62%0.01625%0.25CS..EExtended strand (participates in β ladder)trans-88.6155.3173.4-54.6-176.5000111.1L28 P30 I89 I92 L115 A118 G119L7-L28 HydrophobicContact CD1-CB 3.78Å; L7-P30 HydrophobicContact CB-CB 4.2Å; L7-P30 WeakPolarHBondContact O-CB 3.47Å; L7-I89 HydrophobicContact CD2-CD1 4.2Å; L7-I92 HydrophobicContact CD1-CD1 3.89Å; L7-I92 HydrophobicContact CD1-CG1 4.28Å; L7-I92 HydrophobicContact CG-CD1 4.38Å; L7-L115 HydrophobicContact CD1-CD2 4.29Å; L7-L115 HydrophobicContact CD2-CD2 3.77Å; L7-A118 HydrophobicContact CB-CB 4.22Å; L7-A118 HydrophobicContact CD1-CB 4.11Å; L7-A118 HydrophobicContact CD2-CB 4.18Å; L7-A118 HydrophobicContact CG-CB 4.4Å; L7-G119 CarbonylContact C-O 3.59Å; L7-G119 WeakPolarHBondContact CA-O 3.48Å
8K98.4Very high97Very high139 Ų13948.7 Ų48.760%0.60424%0.241SC*.SBendtrans-80.5-35171.8-71.8179.5175.3174.40112.3A118 G119 I120 D121K8-A118 WeakPolarHBondContact CB-O 3.44Å; K8-G119 PolarHBondContact N-O 2.96Å; K8-I120 WeakPolarHBondContact CE-O 3.41Å; K8-D121 HydrophobicContact CG-CB 3.76Å
9R98.4Very high97Very high120 Ų12046.6 Ų46.645%0.45323%0.231SC..SBendtrans-142.3168.7179.771.9-177.1-176.5-86.55.4111.4D117 A118R9-D117 IonicContact CZ-OD2 3.84Å; R9-D117 PolarHBondContact NH1-O 3.43Å; R9-D117 PolarHBondContact NH2-O 3.33Å; R9-D117 IonicContact NH2-OD1 3.09Å; R9-D117 PolarHBondContact NH2-OD1 2.89Å; R9-D117 VanDerWaalsContact NH2-OD1 3.09Å; R9-D117 IonicContact NH2-OD2 2.88Å; R9-D117 PolarHBondContact NH2-OD2 3.38Å; R9-A118 WeakPolarHBondContact CG-O 3.16Å; R9-A118 PolarHBondContact N-O 2.96Å; R9-A118 PolarHBondContact NH1-O 3Å
10I98.7Very high97Very high81 Ų8146.3 Ų46.342%0.41523%0.231SC..  trans-74.2137.8172.7-61.2158.3000108.9Q12 T27 L28 R29I10-Q12 HydrophobicContact CG2-CG 4.48Å; I10-T27 HydrophobicContact CG2-CG2 3.44Å; I10-T27 VanDerWaalsContact CG2-CG2 3.44Å; I10-L28 WeakPolarHBondContact CA-O 3.19Å; I10-R29 HydrophobicContact CG1-CB 4.4Å; I10-R29 HydrophobicContact CG1-CG 4.15Å; I10-R29 HydrophobicContact CG2-CG 4.38Å
11V98.4Very high97Very high11 Ų1145.6 Ų45.67%0.06724%0.236CC..EExtended strand (participates in β ladder)trans-127152167.3-68.50000110.3L28 L114 A118V11-L28 HydrophobicContact CG2-CB 3.82Å; V11-L28 HydrophobicContact CG2-CD1 4.13Å; V11-L28 HydrophobicContact CG2-CG 4.33Å; V11-L28 PolarHBondContact N-O 2.76Å; V11-L28 VanDerWaalsContact N-O 3.15Å; V11-L28 PolarHBondContact O-N 3.2Å; V11-L114 HydrophobicContact CG2-CB 4.25Å; V11-A118 HydrophobicContact CB-CB 4.28Å; V11-A118 HydrophobicContact CG1-CB 3.47Å; V11-A118 VanDerWaalsContact CG1-CB 3.47Å; V11-A118 HydrophobicContact CG2-CB 3.84Å
12Q98.2Very high97.5Very high123 Ų12347.3 Ų47.358%0.57524%0.241SC*.EExtended strand (participates in β ladder)trans-132144.4-178.2-69.3-174.9-49.700110.6I10 L26 T27I10-Q12 HydrophobicContact CG2-CG 4.48Å; Q12-L26 VanDerWaalsContact CA-O 3.26Å; Q12-L26 WeakPolarHBondContact CA-O 3.33Å; Q12-T27 HydrophobicContact CG-CG2 3.7Å; Q12-T27 WeakPolarHBondContact CG-OG1 3.36Å; Q12-T27 PolarHBondContact NE2-OG1 3.13Å
13A98Very high97.8Very high15 Ų1554.1 Ų54.112%0.12427%0.27CS..EExtended strand (participates in β ladder)trans-137.1155.7170.400000109.4L26 M104 L114A13-L26 PolarHBondContact N-O 3.5Å; A13-L26 PolarHBondContact O-N 3.24Å; A13-M104 HydrophobicContact CB-CE 4.23Å; A13-L114 HydrophobicContact CB-CD1 3.58Å; A13-L114 HydrophobicContact CB-CD2 4.09Å; A13-L114 HydrophobicContact CB-CG 4.48Å
14T97.9Very high98Very high76 Ų7650.8 Ų50.847%0.46626%0.256SS..EExtended strand (participates in β ladder)trans-125.2137.1171.8-63.50000108.5K23 V24 T25T14-K23 HydrophobicContact CG2-CD 4.24Å; T14-K23 HydrophobicContact CG2-CG 3.87Å; T14-V24 CarbonylContact C-O 3.55Å; T14-V24 VanDerWaalsContact CA-O 3.26Å; T14-V24 WeakPolarHBondContact CA-O 3.34Å; T14-V24 WeakPolarHBondContact CG2-O 3.28Å; T14-T25 PolarHBondContact OG1-OG1 3.33Å
15G97.6Very high98Very high18 Ų1852.5 Ų52.519%0.18627%0.267CS..EExtended strand (participates in β ladder)trans-154-160177.700000110.5K23 V24G15-K23 CarbonylContact O-C 3.49Å; G15-K23 WeakPolarHBondContact O-CA 3.41Å; G15-V24 PolarHBondContact N-O 3.29Å; G15-V24 PolarHBondContact O-N 3.33Å
16V97.9Very high98.1Very high62 Ų6250.9 Ų50.938%0.37626%0.261SS..EExtended strand (participates in β ladder)trans-121.1142.1177.9-177.90000108.2G21 K22 P102 I103V16-G21 VanDerWaalsContact CG1-C 3.46Å; V16-G21 WeakPolarHBondContact CG1-O 3.33Å; V16-K22 CarbonylContact C-O 3.5Å; V16-K22 VanDerWaalsContact CA-O 3.32Å; V16-K22 WeakPolarHBondContact CA-O 3.4Å; V16-P102 CarbonylContact O-C 3.36Å; V16-P102 WeakPolarHBondContact O-CA 3.5Å; V16-I103 WeakPolarHBondContact O-CG2 3.33Å; V16-I103 PolarHBondContact O-N 2.99Å
17G98.1Very high98.1Very high0 Ų051.1 Ų51.10%026%0.262CS..BIsolated β-bridgetrans-70.8135.3171.200000111H19 G21 K22 E100G17-H19 VanDerWaalsContact C-N 3.33Å; G17-H19 PolarHBondContact O-N 3.41Å; G17-G21 WeakPolarHBondContact O-CA 3.37Å; G17-G21 PolarHBondContact O-N 3.45Å; G17-K22 PolarHBondContact N-O 3.17Å; G17-E100 VanDerWaalsContact C-OE2 3.23Å; G17-E100 VanDerWaalsContact CA-CD 3.41Å; G17-E100 WeakPolarHBondContact CA-OE2 3.32Å
18L97.9Very high98.1Very high16 Ų1651 Ų518%0.08426%0.262CS..THydrogen-bonded Turntrans-56.3-49.6-178176.757.1000111.2E100 I103 T191 C207 L208 G209L18-E100 VanDerWaalsContact N-CD 3.34Å; L18-E100 PolarHBondContact N-OE1 2.91Å; L18-E100 PolarHBondContact N-OE2 2.93Å; L18-I103 HydrophobicContact CB-CB 3.85Å; L18-I103 HydrophobicContact CB-CD1 3.96Å; L18-I103 HydrophobicContact CB-CG1 3.8Å; L18-I103 HydrophobicContact CB-CG2 4.44Å; L18-I103 HydrophobicContact CD1-CG1 4.23Å; L18-I103 HydrophobicContact CD2-CD1 3.93Å; L18-I103 HydrophobicContact CD2-CG1 4.27Å; L18-I103 HydrophobicContact CG-CD1 4.43Å; L18-I103 HydrophobicContact CG-CG1 4.31Å; L18-T191 HydrophobicContact CD2-CG2 4.37Å; L18-C207 CarbonylContact O-C 3.49Å; L18-C207 VanDerWaalsContact O-CA 3.29Å; L18-C207 WeakPolarHBondContact O-CA 3.44Å; L18-L208 PolarHBondContact O-N 3.42Å; L18-G209 WeakPolarHBondContact O-CA 3.17Å; L18-G209 PolarHBondContact O-N 3.33Å
19H97.4Very high98.1Very high10 Ų1048.3 Ų48.35%0.04625%0.247CC..THydrogen-bonded Turntrans-88.1-45.6-173-62.5-59.1000112.1G17 G21 E100 L206 C207 L208G17-H19 VanDerWaalsContact C-N 3.33Å; G17-H19 PolarHBondContact O-N 3.41Å; H19-G21 PolarHBondContact O-N 3.22Å; H19-E100 IonicContact CD2-OE1 2.69Å; H19-E100 IonicContact CG-OE1 3.93Å; H19-E100 PolarHBondContact N-OE1 2.95Å; H19-E100 PolarHBondContact N-OE2 2.64Å; H19-L206 HydrophobicContact CB-CD2 3.99Å; H19-C207 PolarHBondContact O-N 3.42Å; H19-L208 WeakPolarHBondContact O-CB 3.43Å; H19-L208 WeakPolarHBondContact O-CG 3.37Å; H19-L208 PolarHBondContact O-N 3.35Å; H19-L208 VanDerWaalsContact O-N 3.09Å
20T96.6Very high98.1Very high40 Ų4045.1 Ų45.125%0.24524%0.242CC..THydrogen-bonded Turntrans-77.5-21.2-173.461.80000113.5K22 P99 E100T20-K22 PolarHBondContact O-N 2.94Å; T20-K22 PolarHBondContact OG1-N 2.85Å; T20-P99 HydrophobicContact CG2-CG 4.23Å; T20-E100 VanDerWaalsContact CB-OE2 3.27Å; T20-E100 WeakPolarHBondContact CB-OE2 3.48Å; T20-E100 HydrophobicContact CG2-CB 4.18Å; T20-E100 VanDerWaalsContact CG2-OE2 3.23Å; T20-E100 WeakPolarHBondContact CG2-OE2 3.35Å; T20-E100 PolarHBondContact N-OE2 3.35Å; T20-E100 PolarHBondContact OG1-OE2 3.46Å
21G96.8Very high98.1Very high31 Ų3141.6 Ų41.632%0.3223%0.225SC..  trans64.26.6-173.200000113.7V16 G17 H19V16-G21 VanDerWaalsContact CG1-C 3.46Å; V16-G21 WeakPolarHBondContact CG1-O 3.33Å; G17-G21 WeakPolarHBondContact O-CA 3.37Å; G17-G21 PolarHBondContact O-N 3.45Å; H19-G21 PolarHBondContact O-N 3.22Å
22K97.8Very high98.1Very high116 Ų11645.6 Ų45.650%0.50425%0.252SS..  trans-79.3140.9-179-70.3-177.7177.6-178.30110V16 G17 T20 V24 P99V16-K22 CarbonylContact C-O 3.5Å; V16-K22 VanDerWaalsContact CA-O 3.32Å; V16-K22 WeakPolarHBondContact CA-O 3.4Å; G17-K22 PolarHBondContact N-O 3.17Å; T20-K22 PolarHBondContact O-N 2.94Å; T20-K22 PolarHBondContact OG1-N 2.85Å; K22-V24 WeakPolarHBondContact O-CG2 3.41Å; K22-V24 PolarHBondContact O-N 2.9Å; K22-P99 HydrophobicContact CD-CG 4.48Å
23K98.1Very high98.1Very high158 Ų15841.6 Ų41.669%0.68724%0.239SC*.EExtended strand (participates in β ladder)trans-65128.7166.7-173.5174.8-179.3176.50109.1T14 G15T14-K23 HydrophobicContact CG2-CD 4.24Å; T14-K23 HydrophobicContact CG2-CG 3.87Å; G15-K23 CarbonylContact O-C 3.49Å; G15-K23 WeakPolarHBondContact O-CA 3.41Å
24V98.6Very high98.1Very high0 Ų045.9 Ų45.90%026%0.26CS..EExtended strand (participates in β ladder)trans-123.7132.6-178.6-168.60000109.6T14 G15 K22 V96 A98 E100 P102T14-V24 CarbonylContact C-O 3.55Å; T14-V24 VanDerWaalsContact CA-O 3.26Å; T14-V24 WeakPolarHBondContact CA-O 3.34Å; T14-V24 WeakPolarHBondContact CG2-O 3.28Å; G15-V24 PolarHBondContact N-O 3.29Å; G15-V24 PolarHBondContact O-N 3.33Å; K22-V24 WeakPolarHBondContact O-CG2 3.41Å; K22-V24 PolarHBondContact O-N 2.9Å; V24-V96 HydrophobicContact CG1-CB 3.95Å; V24-V96 HydrophobicContact CG1-CG1 3.88Å; V24-A98 HydrophobicContact CB-CB 4.16Å; V24-A98 HydrophobicContact CG1-CB 3.94Å; V24-A98 HydrophobicContact CG2-CB 3.63Å; V24-E100 WeakPolarHBondContact CG1-O 3.36Å; V24-P102 HydrophobicContact CB-CB 4.2Å; V24-P102 HydrophobicContact CB-CG 4.45Å
25T98.7Very high98.1Very high44 Ų4444.5 Ų44.527%0.2725%0.252SS..EExtended strand (participates in β ladder)trans-98.4116163.7-60.10000108.4T14 V96 N97T14-T25 PolarHBondContact OG1-OG1 3.33Å; T25-V96 WeakPolarHBondContact O-CA 3.18Å; T25-N97 PolarHBondContact N-OD1 3.42Å; T25-N97 PolarHBondContact O-OD1 3.21Å
26L98.8Very high98.2Very high1 Ų144.8 Ų44.81%0.00526%0.255CS..EExtended strand (participates in β ladder)trans-95.6129.8174174.967.1000109.1Q12 A13 L28 L80 I94 E95 V96 I101 P102 F111Q12-L26 VanDerWaalsContact CA-O 3.26Å; Q12-L26 WeakPolarHBondContact CA-O 3.33Å; A13-L26 PolarHBondContact N-O 3.5Å; A13-L26 PolarHBondContact O-N 3.24Å; L26-L28 HydrophobicContact CD1-CD2 3.86Å; L26-L28 HydrophobicContact CD2-CD2 4.18Å; L26-L28 HydrophobicContact CD2-CG 4.42Å; L26-L28 HydrophobicContact CG-CD2 4.01Å; L26-L28 HydrophobicContact CG-CG 4.3Å; L26-L80 HydrophobicContact CD1-CD2 4.37Å; L26-I94 HydrophobicContact CD1-CG2 3.61Å; L26-E95 CarbonylContact C-O 3.55Å; L26-E95 WeakPolarHBondContact CA-O 3.34Å; L26-V96 HydrophobicContact CB-CG1 4.48Å; L26-V96 HydrophobicContact CD1-CG1 3.72Å; L26-I101 HydrophobicContact CD1-CD1 4.49Å; L26-P102 HydrophobicContact CB-CG 3.83Å; L26-P102 HydrophobicContact CD2-CG 4.17Å; L26-F111 HydrophobicContact CD2-CD1 4.03Å; L26-F111 HydrophobicContact CD2-CE1 3.72Å
27T98.8Very high98.2Very high10 Ų1042 Ų426%0.06124%0.238CC..EExtended strand (participates in β ladder)trans-122.6121.7170.8-51.60000109.5I10 Q12 R29 E95I10-T27 HydrophobicContact CG2-CG2 3.44Å; I10-T27 VanDerWaalsContact CG2-CG2 3.44Å; Q12-T27 HydrophobicContact CG-CG2 3.7Å; Q12-T27 WeakPolarHBondContact CG-OG1 3.36Å; Q12-T27 PolarHBondContact NE2-OG1 3.13Å; T27-R29 HydrophobicContact CG2-CG 3.92Å; T27-E95 PolarHBondContact N-O 2.96Å; T27-E95 PolarHBondContact O-N 3.32Å
28L98.9Very high98.2Very high1 Ų143.4 Ų43.41%0.00525%0.245CC..EExtended strand (participates in β ladder)trans-100.8116.6176.2-58.6-176000108.3L7 I10 V11 L26 L80 I92 I94 L114 L115L7-L28 HydrophobicContact CD1-CB 3.78Å; I10-L28 WeakPolarHBondContact CA-O 3.19Å; V11-L28 HydrophobicContact CG2-CB 3.82Å; V11-L28 HydrophobicContact CG2-CD1 4.13Å; V11-L28 HydrophobicContact CG2-CG 4.33Å; V11-L28 PolarHBondContact N-O 2.76Å; V11-L28 VanDerWaalsContact N-O 3.15Å; V11-L28 PolarHBondContact O-N 3.2Å; L26-L28 HydrophobicContact CD1-CD2 3.86Å; L26-L28 HydrophobicContact CD2-CD2 4.18Å; L26-L28 HydrophobicContact CD2-CG 4.42Å; L26-L28 HydrophobicContact CG-CD2 4.01Å; L26-L28 HydrophobicContact CG-CG 4.3Å; L28-L80 HydrophobicContact CD2-CD1 4.43Å; L28-L80 HydrophobicContact CD2-CD2 4.13Å; L28-I92 HydrophobicContact CB-CD1 4.12Å; L28-I92 HydrophobicContact CD2-CD1 4.12Å; L28-I94 HydrophobicContact CD2-CB 4.37Å; L28-I94 HydrophobicContact CD2-CG1 4.02Å; L28-I94 HydrophobicContact CD2-CG2 4Å; L28-L114 HydrophobicContact CD1-CB 4.26Å; L28-L115 HydrophobicContact CD1-CD2 3.85Å; L28-L115 HydrophobicContact CD1-CG 4.32Å
29R98.7Very high98.3Very high81 Ų8142.6 Ų42.631%0.30624%0.241SC..EExtended strand (participates in β ladder)trans-113.4141.7-176.4-57.6-170.4176.7-90.5-5.3112I10 T27 I92 V93 E95I10-R29 HydrophobicContact CG1-CB 4.4Å; I10-R29 HydrophobicContact CG1-CG 4.15Å; I10-R29 HydrophobicContact CG2-CG 4.38Å; T27-R29 HydrophobicContact CG2-CG 3.92Å; R29-I92 WeakPolarHBondContact O-CA 3.44Å; R29-I92 WeakPolarHBondContact O-CG1 3.23Å; R29-V93 HydrophobicContact CB-CB 4.26Å; R29-V93 PolarHBondContact N-O 3.41Å; R29-V93 PolarHBondContact O-N 3.33Å; R29-E95 WeakPolarHBondContact CD-OE1 3.48Å; R29-E95 IonicContact CZ-OE1 2.69Å; R29-E95 IonicContact CZ-OE2 2.99Å; R29-E95 VanDerWaalsContact CZ-OE2 3.29Å; R29-E95 IonicContact NE-OE1 3.07Å; R29-E95 PolarHBondContact NE-OE1 3.49Å; R29-E95 IonicContact NE-OE2 2.92Å; R29-E95 PolarHBondContact NE-OE2 3.14Å; R29-E95 IonicContact NH2-OE2 3.92Å; R29-E95 PolarHBondContact NH2-OE2 2.88Å
30P98.7Very high98.3Very high53 Ų5345.2 Ų45.234%0.34425%0.25SS..EExtended strand (participates in β ladder)trans-62145.5168.230.8-36.4000110.6T6 L7T6-P30 WeakPolarHBondContact OG1-CA 3.44Å; L7-P30 HydrophobicContact CB-CB 4.2Å; L7-P30 WeakPolarHBondContact O-CB 3.47Å
31A98.6Very high98.4Very high7 Ų744.2 Ų44.26%0.05824%0.242CC..  trans-126.8151.5173.700000111.7T6 T35 N91 V93T6-A31 PolarHBondContact OG1-N 2.88Å; T6-A31 PolarHBondContact OG1-O 3.18Å; A31-T35 HydrophobicContact CB-CG2 3.76Å; A31-N91 HydrophobicContact CB-CB 4.07Å; A31-V93 HydrophobicContact CB-CG2 4.21Å
32P98.3Very high98.5Very high96 Ų9645.4 Ų45.462%0.62324%0.243SC*.  trans-61166.4172.8-2233.4000113.2T35 N91P32-T35 WeakPolarHBondContact O-CB 3.49Å; P32-T35 PolarHBondContact O-N 2.79Å; P32-T35 PolarHBondContact O-OG1 2.84Å; P32-N91 WeakPolarHBondContact O-CB 3.48Å; P32-N91 PolarHBondContact O-OD1 3.05Å
33A98Very high98.5Very high38 Ų3843.3 Ų43.331%0.31424%0.237SC..THydrogen-bonded Turntrans-59.7143.2179.800000111.7T35 L123 C125A33-T35 PolarHBondContact O-N 3.12Å; A33-L123 HydrophobicContact CB-CB 4.24Å; A33-L123 HydrophobicContact CB-CD1 4.01Å; A33-C125 HydrophobicContact CB-CB 3.74Å
34N97.9Very high98.5Very high105 Ų10538.1 Ų38.156%0.56122%0.217SC*.THydrogen-bonded Turntrans62.718.3-177.5-48.2-63.8000115.2Q4 N91 C125Q4-N34 PolarHBondContact NE2-OD1 2.73Å; N34-N91 PolarHBondContact N-OD1 2.75Å; N34-C125 PolarHBondContact ND2-SG 3.03Å; N34-C125 VanDerWaalsContact ND2-SG 3.42Å
35T98.4Very high98.4Very high47 Ų4745.7 Ų45.729%0.28826%0.257SS..  trans-71.4-35.8169.3-560000111A31 P32 A33 I38 N91A31-T35 HydrophobicContact CB-CG2 3.76Å; P32-T35 WeakPolarHBondContact O-CB 3.49Å; P32-T35 PolarHBondContact O-N 2.79Å; P32-T35 PolarHBondContact O-OG1 2.84Å; A33-T35 PolarHBondContact O-N 3.12Å; T35-I38 HydrophobicContact CG2-CD1 3.49Å; T35-I38 VanDerWaalsContact CG2-CD1 3.49Å; T35-I38 HydrophobicContact CG2-CG1 4.16Å; T35-N91 PolarHBondContact N-OD1 2.87Å
36G98.2Very high98.3Very high24 Ų2448.3 Ų48.325%0.24728%0.275CS..  trans75.2-164.3-169.900000112.4D90 N91 I92G36-D90 CarbonylContact C-O 3.47Å; G36-D90 WeakPolarHBondContact CA-O 3.28Å; G36-N91 PolarHBondContact N-OD1 3.18Å; G36-N91 VanDerWaalsContact N-OD1 3.07Å; G36-N91 WeakPolarHBondContact O-CA 3.39Å; G36-I92 PolarHBondContact O-N 2.93Å
37V98.8Very high98.2Very high4 Ų451.5 Ų51.52%0.02430%0.296CS..EExtended strand (participates in β ladder)trans-94118.8174.9-179.70000108.5Y39 A52 L84 I92 I94 F248V37-Y39 HydrophobicContact CG1-CD2 4.25Å; V37-Y39 HydrophobicContact CG1-CE2 3.74Å; V37-A52 HydrophobicContact CB-CB 3.8Å; V37-A52 HydrophobicContact CG1-CB 4.19Å; V37-A52 PolarHBondContact O-N 3.43Å; V37-L84 HydrophobicContact CG1-CD1 4.02Å; V37-L84 HydrophobicContact CG2-CD1 4.37Å; V37-I92 HydrophobicContact CB-CG2 4.25Å; V37-I92 HydrophobicContact CG1-CG2 3.98Å; V37-I92 HydrophobicContact CG2-CG2 3.99Å; V37-I94 HydrophobicContact CG1-CD1 3.59Å; V37-F248 HydrophobicContact CG2-CE1 3.94Å; V37-F248 HydrophobicContact CG2-CZ 4.39Å
38I98.7Very high98.2Very high29 Ų2952.6 Ų52.615%0.14930%0.303CS..EExtended strand (participates in β ladder)trans-119.5122.8177.5-59.9177.7000108.7T35 D49 I92 V93 I94T35-I38 HydrophobicContact CG2-CD1 3.49Å; T35-I38 VanDerWaalsContact CG2-CD1 3.49Å; T35-I38 HydrophobicContact CG2-CG1 4.16Å; I38-D49 HydrophobicContact CG2-CB 3.9Å; I38-I92 PolarHBondContact N-O 3.14Å; I38-V93 HydrophobicContact CB-CG2 4.48Å; I38-V93 CarbonylContact O-C 3.56Å; I38-V93 WeakPolarHBondContact O-CA 3.47Å; I38-I94 PolarHBondContact O-N 3.29Å
39Y98.8Very high98.2Very high0 Ų055.7 Ų55.70%032%0.319CS..EExtended strand (participates in β ladder)trans-90.1139.2167.8-68.6-94.1000110.1V37 D49 F50 L66 I74 V77 L80 N81 I94 I101V37-Y39 HydrophobicContact CG1-CD2 4.25Å; V37-Y39 HydrophobicContact CG1-CE2 3.74Å; Y39-D49 CarbonylContact O-C 3.55Å; Y39-D49 WeakPolarHBondContact O-CA 3.39Å; Y39-F50 PolarHBondContact N-O 3.38Å; Y39-F50 PolarHBondContact O-N 3.09Å; Y39-L66 HydrophobicContact CD2-CD1 3.68Å; Y39-L66 HydrophobicContact CE2-CD1 4.29Å; Y39-L66 HydrophobicContact CG-CD1 4Å; Y39-I74 HydrophobicContact CD1-CG2 4.24Å; Y39-V77 HydrophobicContact CD1-CG1 4.03Å; Y39-V77 HydrophobicContact CE1-CB 3.92Å; Y39-V77 HydrophobicContact CE1-CG1 3.61Å; Y39-V77 HydrophobicContact CE2-CB 4.47Å; Y39-V77 HydrophobicContact CE2-CG1 4.48Å; Y39-L80 HydrophobicContact CE1-CD2 4.26Å; Y39-N81 VanDerWaalsContact OH-CG 3.24Å; Y39-N81 PolarHBondContact OH-OD1 3.44Å; Y39-I94 CarbonylContact C-O 3.55Å; Y39-I94 WeakPolarHBondContact CA-O 3.2Å; Y39-I94 HydrophobicContact CD1-CB 3.89Å; Y39-I94 HydrophobicContact CD1-CD1 4.01Å; Y39-I94 HydrophobicContact CD1-CG2 3.69Å; Y39-I94 HydrophobicContact CD2-CD1 4.4Å; Y39-I94 HydrophobicContact CE1-CB 4.16Å; Y39-I94 HydrophobicContact CE1-CD1 3.54Å; Y39-I94 HydrophobicContact CE1-CG1 4.46Å; Y39-I94 HydrophobicContact CE1-CG2 3.78Å; Y39-I94 HydrophobicContact CE2-CD1 3.97Å; Y39-I94 HydrophobicContact CG-CB 4.39Å; Y39-I94 HydrophobicContact CG-CD1 4.39Å; Y39-I94 VanDerWaalsContact CZ-CD1 3.49Å; Y39-I101 HydrophobicContact CD1-CD1 4.03Å; Y39-I101 HydrophobicContact CE1-CD1 3.92Å; Y39-I101 HydrophobicContact CE1-CG1 4.34Å
40R98.7Very high98.2Very high64 Ų6452 Ų5224%0.24231%0.306CS..EExtended strand (participates in β ladder)trans-135.4127.6-175.4174.7175.3-66.1156.20.6111.7T42 P47 V48 D49 V93 I94 E95 V96R40-T42 HydrophobicContact CG-CG2 3.91Å; R40-P47 HydrophobicContact CG-CB 4.14Å; R40-V48 CarbonylContact C-O 3.6Å; R40-V48 WeakPolarHBondContact CA-O 3.36Å; R40-D49 VanDerWaalsContact CB-OD1 3.31Å; R40-D49 WeakPolarHBondContact CB-OD1 3.4Å; R40-D49 WeakPolarHBondContact CD-OD1 3.46Å; R40-D49 WeakPolarHBondContact CG-OD1 3.44Å; R40-D49 IonicContact CZ-OD1 3.62Å; R40-D49 IonicContact CZ-OD2 3.55Å; R40-D49 IonicContact NE-OD1 2.82Å; R40-D49 PolarHBondContact NE-OD1 2.73Å; R40-D49 IonicContact NE-OD2 2.69Å; R40-D49 PolarHBondContact NE-OD2 3.16Å; R40-D49 IonicContact NH2-OD1 3.36Å; R40-D49 IonicContact NH2-OD2 3.54Å; R40-D49 PolarHBondContact NH2-OD2 3.35Å; R40-V93 HydrophobicContact CB-CG1 4.37Å; R40-I94 PolarHBondContact N-O 2.86Å; R40-E95 HydrophobicContact CB-CG 4.18Å; R40-E95 HydrophobicContact CG-CG 4.41Å; R40-E95 IonicContact NH1-OE1 2.69Å; R40-E95 PolarHBondContact NH1-OE1 3.41Å; R40-E95 WeakPolarHBondContact O-CA 3.26Å; R40-V96 PolarHBondContact O-N 3.02Å
41R98.5Very high98.1Very high19 Ų1953.3 Ų53.37%0.07231%0.314CS..EExtended strand (participates in β ladder)trans-87.3102.5169.3-75.3-70.3-62.6-72.6-6.3110.3D43 L44 P47 V48 V72 R73 I74 V96 A98R41-D43 IonicContact CZ-OD1 3.76Å; R41-D43 IonicContact CZ-OD2 2.99Å; R41-D43 IonicContact NE-OD1 3.48Å; R41-D43 PolarHBondContact NE-OD1 3.29Å; R41-D43 IonicContact NE-OD2 2.77Å; R41-D43 IonicContact NH2-OD1 2.75Å; R41-D43 PolarHBondContact NH2-OD1 2.93Å; R41-D43 IonicContact NH2-OD2 3.99Å; R41-D43 PolarHBondContact NH2-OD2 3.08Å; R41-L44 HydrophobicContact CB-CD1 3.77Å; R41-L44 HydrophobicContact CB-CG 4.03Å; R41-L44 HydrophobicContact CG-CD1 4.26Å; R41-P47 VanDerWaalsContact O-CA 3.29Å; R41-P47 WeakPolarHBondContact O-CA 3.44Å; R41-V48 HydrophobicContact CB-CB 4.47Å; R41-V48 PolarHBondContact N-O 2.91Å; R41-V48 PolarHBondContact O-N 3.24Å; R41-V72 HydrophobicContact CG-CG1 4.12Å; R41-R73 PolarHBondContact NH1-O 3.06Å; R41-I74 HydrophobicContact CG-CD1 3.89Å; R41-I74 HydrophobicContact CG-CG1 3.7Å; R41-V96 CarbonylContact C-O 3.55Å; R41-V96 WeakPolarHBondContact CA-O 3.46Å; R41-A98 WeakPolarHBondContact CD-O 3.22Å; R41-A98 PolarHBondContact NE-O 3.42Å
42T98.3Very high98Very high57 Ų5753.8 Ų53.835%0.3532%0.318SS..THydrogen-bonded Turntrans-87.1-12-178.153.40000114R40 E95 V96R40-T42 HydrophobicContact CG-CG2 3.91Å; T42-E95 HydrophobicContact CG2-CB 3.75Å; T42-E95 HydrophobicContact CG2-CG 4.01Å; T42-V96 PolarHBondContact N-O 2.97Å; T42-V96 PolarHBondContact OG1-O 3.39Å
43D98.2Very high97.9Very high71 Ų7152.2 Ų52.238%0.3830%0.304SS..THydrogen-bonded Turntrans-78.7-7.5172.762.2-57.7000113.4R41 N97 A98R41-D43 IonicContact CZ-OD1 3.76Å; R41-D43 IonicContact CZ-OD2 2.99Å; R41-D43 IonicContact NE-OD1 3.48Å; R41-D43 PolarHBondContact NE-OD1 3.29Å; R41-D43 IonicContact NE-OD2 2.77Å; R41-D43 IonicContact NH2-OD1 2.75Å; R41-D43 PolarHBondContact NH2-OD1 2.93Å; R41-D43 IonicContact NH2-OD2 3.99Å; R41-D43 PolarHBondContact NH2-OD2 3.08Å; D43-N97 HydrophobicContact CB-CB 4.19Å; D43-N97 WeakPolarHBondContact CB-O 3.29Å; D43-N97 VanDerWaalsContact OD1-C 3.27Å; D43-A98 PolarHBondContact OD1-N 2.92Å
44L98.2Very high97.9Very high49 Ų4950.5 Ų50.526%0.25729%0.29SS..SBendtrans-97.3152.8175.4-58.1-179.8000110.9R41 P46 P47 V48 V72R41-L44 HydrophobicContact CB-CD1 3.77Å; R41-L44 HydrophobicContact CB-CG 4.03Å; R41-L44 HydrophobicContact CG-CD1 4.26Å; L44-P46 CarbonylContact C-O 3.48Å; L44-P46 CarbonylContact O-C 3.54Å; L44-P46 VanDerWaalsContact O-C 3.26Å; L44-P47 WeakPolarHBondContact O-CA 3.49Å; L44-P47 VanDerWaalsContact O-N 3.16Å; L44-V48 HydrophobicContact CB-CG2 4.28Å; L44-V48 HydrophobicContact CD1-CB 4.2Å; L44-V48 HydrophobicContact CD1-CG2 3.8Å; L44-V72 HydrophobicContact CD1-CB 4.37Å; L44-V72 HydrophobicContact CD1-CG1 3.43Å; L44-V72 VanDerWaalsContact CD1-CG1 3.43Å; L44-V72 HydrophobicContact CD1-CG2 3.96Å
45N96.2Very high97.8Very high159 Ų15952.4 Ų52.485%0.8529%0.293SS*.SBendtrans-128.8113.6177.3-173.635.3000111.2
46P96.2Very high97.7Very high99 Ų9951.3 Ų51.364%0.64329%0.287SS*.SBendcis-65.6159.9-4.731-36.1000111.9L44L44-P46 CarbonylContact C-O 3.48Å; L44-P46 CarbonylContact O-C 3.54Å; L44-P46 VanDerWaalsContact O-C 3.26Å
47P97.8Very high97.7Very high68 Ų6850.5 Ų50.544%0.44228%0.277SS..  trans-54.7142.4170.3-26.335.4000111.2R40 R41 L44R40-P47 HydrophobicContact CG-CB 4.14Å; R41-P47 VanDerWaalsContact O-CA 3.29Å; R41-P47 WeakPolarHBondContact O-CA 3.44Å; L44-P47 WeakPolarHBondContact O-CA 3.49Å; L44-P47 VanDerWaalsContact O-N 3.16Å
48V98.4Very high97.6Very high33 Ų3357.4 Ų57.420%0.230%0.303CS..EExtended strand (participates in β ladder)trans-109.8128.5-177.4179.10000109.9R40 R41 L44 F50 V72R40-V48 CarbonylContact C-O 3.6Å; R40-V48 WeakPolarHBondContact CA-O 3.36Å; R41-V48 HydrophobicContact CB-CB 4.47Å; R41-V48 PolarHBondContact N-O 2.91Å; R41-V48 PolarHBondContact O-N 3.24Å; L44-V48 HydrophobicContact CB-CG2 4.28Å; L44-V48 HydrophobicContact CD1-CB 4.2Å; L44-V48 HydrophobicContact CD1-CG2 3.8Å; V48-F50 HydrophobicContact CG1-CD2 4.42Å; V48-F50 HydrophobicContact CG1-CE2 3.74Å; V48-F50 HydrophobicContact CG1-CZ 4.21Å; V48-V72 HydrophobicContact CB-CG1 4.23Å; V48-V72 HydrophobicContact CG1-CB 4.4Å; V48-V72 HydrophobicContact CG1-CG1 4.06Å; V48-V72 HydrophobicContact CG2-CG2 4.48Å
49D98.2Very high97.5Very high66 Ų6658.4 Ų58.435%0.35331%0.309SS..EExtended strand (participates in β ladder)trans-103.7144.8-178.9-73.80.9000112I38 Y39 R40I38-D49 HydrophobicContact CG2-CB 3.9Å; Y39-D49 CarbonylContact O-C 3.55Å; Y39-D49 WeakPolarHBondContact O-CA 3.39Å; R40-D49 VanDerWaalsContact CB-OD1 3.31Å; R40-D49 WeakPolarHBondContact CB-OD1 3.4Å; R40-D49 WeakPolarHBondContact CD-OD1 3.46Å; R40-D49 WeakPolarHBondContact CG-OD1 3.44Å; R40-D49 IonicContact CZ-OD1 3.62Å; R40-D49 IonicContact CZ-OD2 3.55Å; R40-D49 IonicContact NE-OD1 2.82Å; R40-D49 PolarHBondContact NE-OD1 2.73Å; R40-D49 IonicContact NE-OD2 2.69Å; R40-D49 PolarHBondContact NE-OD2 3.16Å; R40-D49 IonicContact NH2-OD1 3.36Å; R40-D49 IonicContact NH2-OD2 3.54Å; R40-D49 PolarHBondContact NH2-OD2 3.35Å
50F98.1Very high97.5Very high5 Ų560.4 Ų60.42%0.02232%0.321CS..EExtended strand (participates in β ladder)trans-129103.8172.9-64.9-100.3000108.3Y39 V48 L66 N68 V72 I74Y39-F50 PolarHBondContact N-O 3.38Å; Y39-F50 PolarHBondContact O-N 3.09Å; V48-F50 HydrophobicContact CG1-CD2 4.42Å; V48-F50 HydrophobicContact CG1-CE2 3.74Å; V48-F50 HydrophobicContact CG1-CZ 4.21Å; F50-L66 HydrophobicContact CB-CD1 3.83Å; F50-L66 HydrophobicContact CD1-CB 3.77Å; F50-L66 HydrophobicContact CE1-CB 4.23Å; F50-L66 HydrophobicContact CG-CB 4.25Å; F50-L66 HydrophobicContact CG-CD1 4.37Å; F50-N68 HydrophobicContact CE1-CB 3.7Å; F50-N68 HydrophobicContact CZ-CB 4.07Å; F50-V72 HydrophobicContact CE2-CB 4.48Å; F50-V72 HydrophobicContact CE2-CG1 3.84Å; F50-V72 HydrophobicContact CZ-CB 3.99Å; F50-V72 HydrophobicContact CZ-CG1 3.82Å; F50-V72 VanDerWaalsContact CZ-O 3.28Å; F50-V72 WeakPolarHBondContact CZ-O 3.46Å; F50-I74 HydrophobicContact CD2-CD1 3.66Å; F50-I74 HydrophobicContact CD2-CG1 4.21Å; F50-I74 HydrophobicContact CE2-CD1 4.1Å; F50-I74 HydrophobicContact CE2-CG1 4.22Å; F50-I74 HydrophobicContact CG-CD1 4.46Å
51P97.5Very high97.2Very high80 Ų8062.1 Ų62.152%0.51933%0.333SS..EExtended strand (participates in β ladder)trans-58.3143.2163.5-19.832.7000109.7D53P51-D53 PolarHBondContact O-N 3.32Å
52A96.3Very high97.1Very high17 Ų1764.8 Ų64.814%0.1435%0.348CS..  trans-62.4104.9170.100000109.4V37 M249V37-A52 HydrophobicContact CB-CB 3.8Å; V37-A52 HydrophobicContact CG1-CB 4.19Å; V37-A52 PolarHBondContact O-N 3.43Å; A52-M249 CarbonylContact C-O 3.52Å; A52-M249 HydrophobicContact CB-CE 4.09Å
53D96.5Very high97.1Very high63 Ų6362.2 Ų62.234%0.33733%0.333SS..  trans-140.9130.5177.4-178.3-7.3000108.5P51 K55 S56 M249P51-D53 PolarHBondContact O-N 3.32Å; D53-K55 PolarHBondContact O-N 2.91Å; D53-K55 VanDerWaalsContact O-N 3.15Å; D53-K55 PolarHBondContact OD1-N 3.1Å; D53-S56 WeakPolarHBondContact O-CB 3.27Å; D53-S56 PolarHBondContact O-N 2.99Å; D53-M249 CarbonylContact C-O 3.48Å; D53-M249 VanDerWaalsContact C-O 3.29Å; D53-M249 VanDerWaalsContact CA-O 3.27Å; D53-M249 WeakPolarHBondContact CA-O 3.38Å; D53-M249 PolarHBondContact N-O 2.63Å; D53-M249 WeakPolarHBondContact O-CE 3.23Å
54A97Very high97.1Very high1 Ų158.9 Ų58.91%0.00832%0.315CS..G310 helixtrans-54.6-30.7175.500000112.5S56 V57 M249 N269 L272 Q273 L276A54-S56 VanDerWaalsContact C-N 3.32Å; A54-V57 WeakPolarHBondContact O-CB 3.49Å; A54-V57 PolarHBondContact O-N 2.91Å; A54-M249 PolarHBondContact N-O 3.02Å; A54-N269 PolarHBondContact O-ND2 2.95Å; A54-L272 HydrophobicContact CB-CD2 3.67Å; A54-L272 HydrophobicContact CB-CG 4.02Å; A54-Q273 HydrophobicContact CB-CG 3.95Å; A54-Q273 PolarHBondContact O-NE2 2.98Å; A54-L276 HydrophobicContact CB-CD1 4.05Å
55K96.5Very high97.1Very high146 Ų14656.6 Ų56.664%0.63530%0.303SS*.G310 helixtrans-74.6-19.5177.7-63.6177.3-178.1174.60113.9D53 V57D53-K55 PolarHBondContact O-N 2.91Å; D53-K55 VanDerWaalsContact O-N 3.15Å; D53-K55 PolarHBondContact OD1-N 3.1Å; K55-V57 VanDerWaalsContact C-N 3.27Å
56S96.7Very high97.2Very high23 Ų2349 Ų4916%0.16126%0.262CS..G310 helixtrans-77.6-18.1174.6-62.80000111.7D53 A54 R58 L66 V67D53-S56 WeakPolarHBondContact O-CB 3.27Å; D53-S56 PolarHBondContact O-N 2.99Å; A54-S56 VanDerWaalsContact C-N 3.32Å; S56-R58 PolarHBondContact O-N 2.82Å; S56-R58 VanDerWaalsContact O-N 3.13Å; S56-L66 CarbonylContact O-C 3.58Å; S56-L66 VanDerWaalsContact O-CA 3.27Å; S56-L66 WeakPolarHBondContact O-CA 3.26Å; S56-V67 PolarHBondContact O-N 3.35Å
57V98.2Very high97.3Very high7 Ų745 Ų454%0.04224%0.236CC..EExtended strand (participates in β ladder)trans-74.3101172.4-1750000108.7A54 K55 T60 T64 C65 L66 M249 N269A54-V57 WeakPolarHBondContact O-CB 3.49Å; A54-V57 PolarHBondContact O-N 2.91Å; K55-V57 VanDerWaalsContact C-N 3.27Å; V57-T60 HydrophobicContact CG1-CG2 3.63Å; V57-T64 HydrophobicContact CB-CG2 4.46Å; V57-T64 HydrophobicContact CG1-CG2 3.89Å; V57-T64 HydrophobicContact CG2-CG2 3.7Å; V57-C65 WeakPolarHBondContact CA-O 3.32Å; V57-L66 HydrophobicContact CG2-CD2 3.87Å; V57-M249 HydrophobicContact CG2-CB 4.43Å; V57-M249 HydrophobicContact CG2-CE 4.09Å; V57-M249 HydrophobicContact CG2-CG 4.01Å; V57-N269 WeakPolarHBondContact CB-ND2 3.44Å; V57-N269 HydrophobicContact CG1-CB 4.33Å
58R97.4Very high97.2Very high149 Ų14942.8 Ų42.856%0.56222%0.221SC*.EExtended strand (participates in β ladder)trans-119.1-9-177.5-54.5-174.5179.6169.61.8113.9S56 C65 V67S56-R58 PolarHBondContact O-N 2.82Å; S56-R58 VanDerWaalsContact O-N 3.13Å; R58-C65 PolarHBondContact N-O 2.91Å; R58-V67 HydrophobicContact CB-CB 4.01Å; R58-V67 HydrophobicContact CB-CG2 4.23Å; R58-V67 VanDerWaalsContact CD-O 3.25Å; R58-V67 WeakPolarHBondContact CD-O 3.31Å; R58-V67 HydrophobicContact CG-CB 4.45Å; R58-V67 PolarHBondContact NE-O 3.13Å
59D96.9Very high97Very high50 Ų5047.6 Ų47.627%0.26724%0.241SC..EExtended strand (participates in β ladder)trans-128.3133.6167-171.6-2.4000108.7M61 C65 V67 R73D59-M61 WeakPolarHBondContact OD1-CB 3.29Å; D59-M61 PolarHBondContact OD1-N 2.98Å; D59-C65 HydrophobicContact CB-CB 4.03Å; D59-C65 WeakPolarHBondContact O-CB 3.48Å; D59-C65 PolarHBondContact O-N 2.8Å; D59-V67 HydrophobicContact CB-CG2 4.32Å; D59-R73 IonicContact OD2-CZ 3.2Å; D59-R73 IonicContact OD2-NH1 2.81Å; D59-R73 IonicContact OD2-NH2 3.98Å; D59-R73 PolarHBondContact OD2-NH2 2.94Å
60T96.8Very high96.9Very high43 Ų4351.2 Ų51.226%0.26426%0.255SS..  trans-129.612.9-176.651.80000112.2V57 L62 C63 H265 A266V57-T60 HydrophobicContact CG1-CG2 3.63Å; T60-L62 PolarHBondContact O-N 3.08Å; T60-L62 VanDerWaalsContact O-N 3.1Å; T60-C63 CarbonylContact C-O 3.6Å; T60-C63 WeakPolarHBondContact CA-O 3.25Å; T60-H265 HydrophobicContact CG2-CB 4.17Å; T60-A266 WeakPolarHBondContact OG1-CB 3.39Å
61M94.3Very high96.7Very high100 Ų10057.4 Ų57.449%0.49329%0.289SS..SBendtrans-69.6105.9175.3-173.264.7-176.800109.3D59 C63D59-M61 WeakPolarHBondContact OD1-CB 3.29Å; D59-M61 PolarHBondContact OD1-N 2.98Å; M61-C63 PolarHBondContact O-N 3.03Å
62L95.1Very high96.8Very high74 Ų7454.8 Ų54.839%0.38727%0.271SS..SBendtrans63.8-4.9177.8-55.5175.9000117.2T60 L201 L206T60-L62 PolarHBondContact O-N 3.08Å; T60-L62 VanDerWaalsContact O-N 3.1Å; L62-L201 HydrophobicContact CD1-CD1 3.95Å; L62-L201 HydrophobicContact CD1-CD2 3.68Å; L62-L201 HydrophobicContact CD1-CG 4.44Å; L62-L206 HydrophobicContact CD1-CD1 4.16Å
63C97.8Very high96.8Very high4 Ų458.4 Ų58.43%0.02728%0.281CS..SBendtrans-157.3173.117864.60000110.8T60 M61 E78 H265T60-C63 CarbonylContact C-O 3.6Å; T60-C63 WeakPolarHBondContact CA-O 3.25Å; M61-C63 PolarHBondContact O-N 3.03Å; C63-E78 VanDerWaalsContact CA-OE1 3.31Å; C63-E78 WeakPolarHBondContact CA-OE1 3.43Å; C63-E78 VanDerWaalsContact CB-OE1 3.26Å; C63-E78 WeakPolarHBondContact CB-OE1 3.47Å; C63-H265 PolarHBondContact N-CD2 3.06Å
64T98.5Very high96.9Very high1 Ų155.4 Ų55.41%0.00627%0.265CS..  trans-89.9116.9165.1-76.20000109.4V57 T76 V77 E78 D246 M249V57-T64 HydrophobicContact CB-CG2 4.46Å; V57-T64 HydrophobicContact CG1-CG2 3.89Å; V57-T64 HydrophobicContact CG2-CG2 3.7Å; T64-T76 PolarHBondContact O-N 3.5Å; T64-V77 HydrophobicContact CG2-CG2 3.54Å; T64-V77 PolarHBondContact O-N 3.05Å; T64-E78 WeakPolarHBondContact CA-OE2 3.39Å; T64-E78 WeakPolarHBondContact CB-OE2 3.26Å; T64-E78 PolarHBondContact N-OE2 2.91Å; T64-D246 PolarHBondContact OG1-OD1 2.83Å; T64-M249 HydrophobicContact CG2-CG 4.21Å
65C98.6Very high97Very high0 Ų055.9 Ų55.90%027%0.268CS..EExtended strand (participates in β ladder)trans-122.2122.4-177.2-176.10000112.5V57 R58 D59 R73V57-C65 WeakPolarHBondContact CA-O 3.32Å; R58-C65 PolarHBondContact N-O 2.91Å; D59-C65 HydrophobicContact CB-CB 4.03Å; D59-C65 WeakPolarHBondContact O-CB 3.48Å; D59-C65 PolarHBondContact O-N 2.8Å; C65-R73 PolarHBondContact SG-NE 3.21Å; C65-R73 VanDerWaalsContact SG-NE 3.37Å; C65-R73 PolarHBondContact SG-NH2 2.98Å
66L98.6Very high97.1Very high0 Ų049.1 Ų49.10%024%0.239CC..EExtended strand (participates in β ladder)trans-78.7128.4172.8-48.7-177.3000109.1Y39 F50 S56 V57 R73 I74 V77 M249Y39-L66 HydrophobicContact CD2-CD1 3.68Å; Y39-L66 HydrophobicContact CE2-CD1 4.29Å; Y39-L66 HydrophobicContact CG-CD1 4Å; F50-L66 HydrophobicContact CB-CD1 3.83Å; F50-L66 HydrophobicContact CD1-CB 3.77Å; F50-L66 HydrophobicContact CE1-CB 4.23Å; F50-L66 HydrophobicContact CG-CB 4.25Å; F50-L66 HydrophobicContact CG-CD1 4.37Å; S56-L66 CarbonylContact O-C 3.58Å; S56-L66 VanDerWaalsContact O-CA 3.27Å; S56-L66 WeakPolarHBondContact O-CA 3.26Å; V57-L66 HydrophobicContact CG2-CD2 3.87Å; L66-R73 VanDerWaalsContact O-CA 3.25Å; L66-R73 WeakPolarHBondContact O-CA 3.23Å; L66-I74 PolarHBondContact N-O 3.31Å; L66-I74 PolarHBondContact O-N 3.32Å; L66-V77 HydrophobicContact CD1-CG1 4.36Å; L66-V77 HydrophobicContact CG-CG1 4.36Å; L66-M249 HydrophobicContact CD1-CE 4.42Å; L66-M249 HydrophobicContact CD2-CE 3.34Å; L66-M249 HydrophobicContact CD2-SD 4.11Å
67V98.2Very high97.2Very high15 Ų1548 Ų489%0.09123%0.231CC..EExtended strand (participates in β ladder)trans-137.9130.3178-167.30000109.5S56 R58 D59 V72 R73S56-V67 PolarHBondContact O-N 3.35Å; R58-V67 HydrophobicContact CB-CB 4.01Å; R58-V67 HydrophobicContact CB-CG2 4.23Å; R58-V67 VanDerWaalsContact CD-O 3.25Å; R58-V67 WeakPolarHBondContact CD-O 3.31Å; R58-V67 HydrophobicContact CG-CB 4.45Å; R58-V67 PolarHBondContact NE-O 3.13Å; D59-V67 HydrophobicContact CB-CG2 4.32Å; V67-V72 WeakPolarHBondContact CA-O 3.18Å; V67-R73 HydrophobicContact CB-CG 4.47Å; V67-R73 HydrophobicContact CG1-CG 4.03Å; V67-R73 HydrophobicContact CG2-CG 4.04Å
68N96Very high97.2Very high22 Ų2247.9 Ų47.912%0.11823%0.23CC..  trans-96.6-178.2175.971.26000111.4F50 H70 D71 V72F50-N68 HydrophobicContact CE1-CB 3.7Å; F50-N68 HydrophobicContact CZ-CB 4.07Å; N68-H70 PolarHBondContact O-N 2.94Å; N68-H70 WeakPolarHBondContact OD1-CA 3.29Å; N68-H70 PolarHBondContact OD1-N 3.12Å; N68-D71 PolarHBondContact O-N 2.8Å; N68-D71 PolarHBondContact OD1-N 2.79Å; N68-V72 PolarHBondContact N-O 3.07Å; N68-V72 WeakPolarHBondContact OD1-CB 3.38Å; N68-V72 PolarHBondContact OD1-N 2.7Å
69E94.7Very high97.2Very high134 Ų13441 Ų4163%0.62620%0.204SC*.THydrogen-bonded Turntrans-66.4-9.1177.264.8-84.3-168.700115
70H95Very high97.3Very high141 Ų14138.6 Ų38.665%0.65319%0.192SC*.THydrogen-bonded Turntrans-108.717178.6-59.5-50.7000112.5N68 V72N68-H70 PolarHBondContact O-N 2.94Å; N68-H70 WeakPolarHBondContact OD1-CA 3.29Å; N68-H70 PolarHBondContact OD1-N 3.12Å; H70-V72 HydrophobicContact CB-CG2 4.46Å; H70-V72 PolarHBondContact O-N 3.39Å; H70-V72 VanDerWaalsContact O-N 3.07Å
71D95.3Very high97.4Very high135 Ų13536.5 Ų36.572%0.72218%0.179SC*.  trans56.121.8-177.9-63.8-45.4000114.5N68 R73N68-D71 PolarHBondContact O-N 2.8Å; N68-D71 PolarHBondContact OD1-N 2.79Å; D71-R73 WeakPolarHBondContact O-CG 3.39Å
72V98Very high97.7Very high25 Ų2531.8 Ų31.815%0.15216%0.156CC..  trans-75.2137168.1179.70000108.2R41 L44 V48 F50 V67 N68 H70R41-V72 HydrophobicContact CG-CG1 4.12Å; L44-V72 HydrophobicContact CD1-CB 4.37Å; L44-V72 HydrophobicContact CD1-CG1 3.43Å; L44-V72 VanDerWaalsContact CD1-CG1 3.43Å; L44-V72 HydrophobicContact CD1-CG2 3.96Å; V48-V72 HydrophobicContact CB-CG1 4.23Å; V48-V72 HydrophobicContact CG1-CB 4.4Å; V48-V72 HydrophobicContact CG1-CG1 4.06Å; V48-V72 HydrophobicContact CG2-CG2 4.48Å; F50-V72 HydrophobicContact CE2-CB 4.48Å; F50-V72 HydrophobicContact CE2-CG1 3.84Å; F50-V72 HydrophobicContact CZ-CB 3.99Å; F50-V72 HydrophobicContact CZ-CG1 3.82Å; F50-V72 VanDerWaalsContact CZ-O 3.28Å; F50-V72 WeakPolarHBondContact CZ-O 3.46Å; V67-V72 WeakPolarHBondContact CA-O 3.18Å; N68-V72 PolarHBondContact N-O 3.07Å; N68-V72 WeakPolarHBondContact OD1-CB 3.38Å; N68-V72 PolarHBondContact OD1-N 2.7Å; H70-V72 HydrophobicContact CB-CG2 4.46Å; H70-V72 PolarHBondContact O-N 3.39Å; H70-V72 VanDerWaalsContact O-N 3.07Å
73R97.6Very high97.8Very high94 Ų9428.2 Ų28.236%0.35514%0.137SC..EExtended strand (participates in β ladder)trans-129.8148.2-171-55.4-177.262.9169.7-1.9113.3R41 D59 C65 L66 V67 D71 P99R41-R73 PolarHBondContact NH1-O 3.06Å; D59-R73 IonicContact OD2-CZ 3.2Å; D59-R73 IonicContact OD2-NH1 2.81Å; D59-R73 IonicContact OD2-NH2 3.98Å; D59-R73 PolarHBondContact OD2-NH2 2.94Å; C65-R73 PolarHBondContact SG-NE 3.21Å; C65-R73 VanDerWaalsContact SG-NE 3.37Å; C65-R73 PolarHBondContact SG-NH2 2.98Å; L66-R73 VanDerWaalsContact O-CA 3.25Å; L66-R73 WeakPolarHBondContact O-CA 3.23Å; V67-R73 HydrophobicContact CB-CG 4.47Å; V67-R73 HydrophobicContact CG1-CG 4.03Å; V67-R73 HydrophobicContact CG2-CG 4.04Å; D71-R73 WeakPolarHBondContact O-CG 3.39Å; R73-P99 WeakPolarHBondContact O-CA 3.31Å
74I98.6Very high97.9Very high0 Ų028 Ų280%014%0.136CC..EExtended strand (participates in β ladder)trans-135.8109160.9-57175.5000106.9Y39 R41 F50 L66 V77 V96 P99 I101Y39-I74 HydrophobicContact CD1-CG2 4.24Å; R41-I74 HydrophobicContact CG-CD1 3.89Å; R41-I74 HydrophobicContact CG-CG1 3.7Å; F50-I74 HydrophobicContact CD2-CD1 3.66Å; F50-I74 HydrophobicContact CD2-CG1 4.21Å; F50-I74 HydrophobicContact CE2-CD1 4.1Å; F50-I74 HydrophobicContact CE2-CG1 4.22Å; F50-I74 HydrophobicContact CG-CD1 4.46Å; L66-I74 PolarHBondContact N-O 3.31Å; L66-I74 PolarHBondContact O-N 3.32Å; I74-V77 HydrophobicContact CG2-CG1 3.83Å; I74-V96 HydrophobicContact CD1-CG2 4.29Å; I74-V96 HydrophobicContact CG1-CG2 4.44Å; I74-V96 HydrophobicContact CG2-CG2 4.3Å; I74-P99 WeakPolarHBondContact CA-O 3.22Å; I74-I101 HydrophobicContact CG2-CD1 3.9Å; I74-I101 HydrophobicContact CG2-CG1 4.22Å
75S98.1Very high97.8Very high11 Ų1128.2 Ų28.28%0.07714%0.137CC..BIsolated β-bridgetrans-95.9165.2179.1630000113.2V77 P99 E100 I101S75-V77 PolarHBondContact O-N 3.37Å; S75-P99 PolarHBondContact N-O 3Å; S75-P99 PolarHBondContact OG-O 3.4Å; S75-E100 VanDerWaalsContact OG-CB 3.27Å; S75-E100 WeakPolarHBondContact OG-CB 2.95Å; S75-E100 WeakPolarHBondContact OG-CG 3.46Å; S75-I101 PolarHBondContact O-N 3.08Å
76T98.2Very high97.7Very high3 Ų328.3 Ų28.32%0.01814%0.138CC..  trans65.637.9169.3-35.20000112.6T64 E78 E100 I101 I103T64-T76 PolarHBondContact O-N 3.5Å; T76-E78 VanDerWaalsContact C-N 3.35Å; T76-E78 VanDerWaalsContact CA-OE2 3.25Å; T76-E78 WeakPolarHBondContact CA-OE2 3.41Å; T76-E100 PolarHBondContact OG1-OE1 3.42Å; T76-I101 WeakPolarHBondContact O-CB 3.42Å; T76-I103 HydrophobicContact CG2-CD1 4.04Å
77V98.7Very high97.6Very high0 Ų028.4 Ų28.40%014%0.139CC..  trans-79.5-17.1-177.3-590000113.5Y39 T64 L66 I74 S75 H79 L80 N81 I101 M249Y39-V77 HydrophobicContact CD1-CG1 4.03Å; Y39-V77 HydrophobicContact CE1-CB 3.92Å; Y39-V77 HydrophobicContact CE1-CG1 3.61Å; Y39-V77 HydrophobicContact CE2-CB 4.47Å; Y39-V77 HydrophobicContact CE2-CG1 4.48Å; T64-V77 HydrophobicContact CG2-CG2 3.54Å; T64-V77 PolarHBondContact O-N 3.05Å; L66-V77 HydrophobicContact CD1-CG1 4.36Å; L66-V77 HydrophobicContact CG-CG1 4.36Å; I74-V77 HydrophobicContact CG2-CG1 3.83Å; S75-V77 PolarHBondContact O-N 3.37Å; V77-H79 PolarHBondContact O-N 2.82Å; V77-L80 PolarHBondContact O-N 3.49Å; V77-N81 WeakPolarHBondContact O-CB 3.3Å; V77-N81 PolarHBondContact O-N 3.21Å; V77-I101 HydrophobicContact CB-CG1 4.47Å; V77-I101 HydrophobicContact CG1-CG1 3.94Å; V77-M249 HydrophobicContact CG2-SD 4.12Å
78E98.8Very high97.5Very high4 Ų428 Ų282%0.01914%0.138CC..Hα-helixtrans-58.7-42.9-170.756.9-84.8-166.800113.6C63 T64 T76 L80 N81 A82 G245 D246 H265C63-E78 VanDerWaalsContact CA-OE1 3.31Å; C63-E78 WeakPolarHBondContact CA-OE1 3.43Å; C63-E78 VanDerWaalsContact CB-OE1 3.26Å; C63-E78 WeakPolarHBondContact CB-OE1 3.47Å; T64-E78 WeakPolarHBondContact CA-OE2 3.39Å; T64-E78 WeakPolarHBondContact CB-OE2 3.26Å; T64-E78 PolarHBondContact N-OE2 2.91Å; T76-E78 VanDerWaalsContact C-N 3.35Å; T76-E78 VanDerWaalsContact CA-OE2 3.25Å; T76-E78 WeakPolarHBondContact CA-OE2 3.41Å; E78-L80 PolarHBondContact O-N 3.16Å; E78-N81 PolarHBondContact O-N 3.39Å; E78-A82 WeakPolarHBondContact O-CB 3.38Å; E78-A82 PolarHBondContact O-N 3.15Å; E78-G245 WeakPolarHBondContact O-CA 3.34Å; E78-D246 WeakPolarHBondContact CB-OD1 3.03Å; E78-H265 IonicContact OE1-CE1 3.11Å
79H98.8Very high97.6Very high4 Ų427 Ų272%0.01913%0.132CC..Hα-helixtrans-69-40.4-178.4-61.5175.9000112.1V77 A82 A83 G106 A108 F111 H238 L241 D242V77-H79 PolarHBondContact O-N 2.82Å; H79-A82 PolarHBondContact O-N 2.82Å; H79-A83 PolarHBondContact O-N 2.95Å; H79-G106 PolarHBondContact CE1-O 3.25Å; H79-G106 PolarHBondContact ND1-O 3.34Å; H79-A108 WeakPolarHBondContact O-CB 3.29Å; H79-F111 HydrophobicContact CB-CD2 4.12Å; H79-F111 HydrophobicContact CB-CE2 3.73Å; H79-H238 AromaticContact CE1-CE1 3.95Å; H79-H238 AromaticContact NE2-CE1 3.34Å; H79-H238 PolarHBondContact NE2-CE1 2.89Å; H79-H238 VanDerWaalsContact NE2-CE1 3.34Å; H79-L241 HydrophobicContact CB-CD2 4.24Å; H79-L241 VanDerWaalsContact CD2-CD2 3.41Å; H79-L241 WeakPolarHBondContact CD2-CD2 3.46Å; H79-D242 IonicContact CD2-OD1 3.33Å; H79-D242 IonicContact NE2-OD1 3.94Å
80L98.8Very high97.8Very high0 Ų020.9 Ų20.90%010%0.104CC..Hα-helixtrans-66.8-45.3175.4176.955.7000109.9L26 L28 Y39 V77 E78 A82 A83 L84 I94 I101 F111L26-L80 HydrophobicContact CD1-CD2 4.37Å; L28-L80 HydrophobicContact CD2-CD1 4.43Å; L28-L80 HydrophobicContact CD2-CD2 4.13Å; Y39-L80 HydrophobicContact CE1-CD2 4.26Å; V77-L80 PolarHBondContact O-N 3.49Å; E78-L80 PolarHBondContact O-N 3.16Å; L80-A82 VanDerWaalsContact C-N 3.27Å; L80-A82 PolarHBondContact O-N 2.9Å; L80-A83 WeakPolarHBondContact O-CB 3.24Å; L80-A83 PolarHBondContact O-N 2.99Å; L80-A83 VanDerWaalsContact O-N 3.08Å; L80-L84 HydrophobicContact CD1-CG 4.32Å; L80-L84 HydrophobicContact CG-CD1 4.31Å; L80-L84 HydrophobicContact CG-CG 4.48Å; L80-L84 VanDerWaalsContact O-CG 3.3Å; L80-L84 WeakPolarHBondContact O-CG 3.46Å; L80-L84 PolarHBondContact O-N 3.39Å; L80-I94 HydrophobicContact CD2-CD1 3.89Å; L80-I94 HydrophobicContact CD2-CG1 4.27Å; L80-I94 HydrophobicContact CD2-CG2 3.6Å; L80-I94 HydrophobicContact CG-CD1 4.41Å; L80-I101 HydrophobicContact CB-CG2 4.39Å; L80-I101 HydrophobicContact CD2-CG2 4.4Å; L80-F111 HydrophobicContact CB-CD1 4.41Å; L80-F111 HydrophobicContact CB-CD2 4.22Å; L80-F111 HydrophobicContact CB-CE2 4.35Å; L80-F111 HydrophobicContact CB-CG 4.26Å; L80-F111 HydrophobicContact CB-CZ 4.47Å; L80-F111 HydrophobicContact CD1-CB 3.82Å; L80-F111 HydrophobicContact CD1-CD1 3.87Å; L80-F111 HydrophobicContact CD1-CG 3.86Å
81N98.8Very high98Very high0 Ų014.3 Ų14.30%07%0.074CC..Hα-helixtrans-56.9-40.2173.1-80.8-19.8000112.6Y39 V77 E78 A83 L84 A85 G245 F248 M249Y39-N81 VanDerWaalsContact OH-CG 3.24Å; Y39-N81 PolarHBondContact OH-OD1 3.44Å; V77-N81 WeakPolarHBondContact O-CB 3.3Å; V77-N81 PolarHBondContact O-N 3.21Å; E78-N81 PolarHBondContact O-N 3.39Å; N81-A83 VanDerWaalsContact C-N 3.33Å; N81-A83 PolarHBondContact O-N 3.13Å; N81-L84 PolarHBondContact O-N 3.2Å; N81-A85 WeakPolarHBondContact O-CB 3.33Å; N81-A85 PolarHBondContact O-N 3.02Å; N81-G245 VanDerWaalsContact CB-O 3.26Å; N81-G245 WeakPolarHBondContact CB-O 2.99Å; N81-G245 PolarHBondContact ND2-O 2.82Å; N81-F248 HydrophobicContact CB-CB 4.35Å; N81-F248 HydrophobicContact CB-CD1 4.12Å; N81-M249 PolarHBondContact ND2-SD 2.82Å
82A98.8Very high98.1Very high0 Ų07.9 Ų7.90%04%0.039CC..Hα-helixtrans-62.7-41.6176.300000111E78 H79 L80 A85 G86 A108 F182 L241 I244E78-A82 WeakPolarHBondContact O-CB 3.38Å; E78-A82 PolarHBondContact O-N 3.15Å; H79-A82 PolarHBondContact O-N 2.82Å; L80-A82 VanDerWaalsContact C-N 3.27Å; L80-A82 PolarHBondContact O-N 2.9Å; A82-A85 PolarHBondContact O-N 3.37Å; A82-G86 PolarHBondContact O-N 3.5Å; A82-A108 HydrophobicContact CB-CB 4.5Å; A82-F182 VanDerWaalsContact C-CZ 3.49Å; A82-F182 HydrophobicContact CB-CE2 4.16Å; A82-F182 HydrophobicContact CB-CZ 4.1Å; A82-F182 WeakPolarHBondContact O-CZ 3.48Å; A82-L241 HydrophobicContact CB-CD2 4.02Å; A82-L241 HydrophobicContact CB-CG 4.07Å; A82-L241 WeakPolarHBondContact CB-O 3.5Å; A82-I244 HydrophobicContact CB-CB 4.42Å; A82-I244 HydrophobicContact CB-CG2 4.28Å
83A98.7Very high98.2Very high0 Ų07.4 Ų7.40%04%0.037CC..Hα-helixtrans-64.5-42.117400000112.7H79 L80 N81 G86 L87 A108 F111 V112 L115H79-A83 PolarHBondContact O-N 2.95Å; L80-A83 WeakPolarHBondContact O-CB 3.24Å; L80-A83 PolarHBondContact O-N 2.99Å; L80-A83 VanDerWaalsContact O-N 3.08Å; N81-A83 VanDerWaalsContact C-N 3.33Å; N81-A83 PolarHBondContact O-N 3.13Å; A83-G86 PolarHBondContact O-N 2.89Å; A83-L87 PolarHBondContact O-N 3.17Å; A83-A108 HydrophobicContact CB-CB 4.31Å; A83-F111 HydrophobicContact CB-CB 3.67Å; A83-V112 HydrophobicContact CB-CG2 3.8Å; A83-L115 HydrophobicContact CB-CD1 3.88Å
84L98.6Very high98.3Very high0 Ų03 Ų30%02%0.02CC..Hα-helixtrans-62.1-46.8176-64172.7000111.2V37 L80 N81 G86 L87 G88 I89 I92 I94 L115 F248V37-L84 HydrophobicContact CG1-CD1 4.02Å; V37-L84 HydrophobicContact CG2-CD1 4.37Å; L80-L84 HydrophobicContact CD1-CG 4.32Å; L80-L84 HydrophobicContact CG-CD1 4.31Å; L80-L84 HydrophobicContact CG-CG 4.48Å; L80-L84 VanDerWaalsContact O-CG 3.3Å; L80-L84 WeakPolarHBondContact O-CG 3.46Å; L80-L84 PolarHBondContact O-N 3.39Å; N81-L84 PolarHBondContact O-N 3.2Å; L84-G86 VanDerWaalsContact C-N 3.35Å; L84-L87 PolarHBondContact O-N 3.36Å; L84-G88 WeakPolarHBondContact O-CA 3.46Å; L84-G88 PolarHBondContact O-N 2.94Å; L84-I89 HydrophobicContact CB-CB 4.42Å; L84-I89 HydrophobicContact CD2-CB 3.83Å; L84-I89 HydrophobicContact CD2-CG1 4.11Å; L84-I89 HydrophobicContact CD2-CG2 3.95Å; L84-I89 PolarHBondContact O-N 2.77Å; L84-I92 HydrophobicContact CD1-CG2 4.25Å; L84-I92 HydrophobicContact CD2-CD1 3.8Å; L84-I92 HydrophobicContact CD2-CG2 4.22Å; L84-I94 HydrophobicContact CD1-CD1 3.79Å; L84-L115 HydrophobicContact CD2-CD1 3.87Å; L84-L115 HydrophobicContact CD2-CD2 3.78Å; L84-F248 HydrophobicContact CB-CD1 4.2Å; L84-F248 HydrophobicContact CB-CE1 3.57Å; L84-F248 HydrophobicContact CB-CZ 4.22Å; L84-F248 HydrophobicContact CD1-CE1 4.31Å
85A97.8Very high98.3Very high4 Ų43.9 Ų3.93%0.0332%0.024CC..Hα-helixtrans-61-44.5174.700000111.4N81 A82 L87 G88 I244 F248 N253N81-A85 WeakPolarHBondContact O-CB 3.33Å; N81-A85 PolarHBondContact O-N 3.02Å; A82-A85 PolarHBondContact O-N 3.37Å; A85-L87 VanDerWaalsContact C-N 3.34Å; A85-L87 PolarHBondContact O-N 2.98Å; A85-G88 PolarHBondContact O-N 2.89Å; A85-I244 HydrophobicContact CB-CG2 3.88Å; A85-F248 HydrophobicContact CB-CB 4.01Å; A85-F248 HydrophobicContact CB-CD1 4.3Å; A85-F248 HydrophobicContact CB-CD2 3.6Å; A85-F248 HydrophobicContact CB-CE2 4.1Å; A85-F248 HydrophobicContact CB-CG 3.71Å; A85-N253 PolarHBondContact O-ND2 3.15Å
86G96.8Very high98.3Very high2 Ų23.4 Ų3.42%0.0212%0.02CC..Hα-helixtrans-52.6-45.4176.200000113.8A82 A83 L84 A179A82-G86 PolarHBondContact O-N 3.5Å; A83-G86 PolarHBondContact O-N 2.89Å; L84-G86 VanDerWaalsContact C-N 3.35Å; G86-A179 WeakPolarHBondContact O-CA 3.2Å; G86-A179 WeakPolarHBondContact O-CB 3.37Å
87L96.2Very high98.3Very high2 Ų26.3 Ų6.31%0.014%0.036CC..Hα-helixtrans-95.9-5.7-178.4-60.7-179000113.4R5 A83 L84 A85 I89 V112 L115 L116 I120 M183R5-L87 PolarHBondContact NH1-O 3.46Å; A83-L87 PolarHBondContact O-N 3.17Å; L84-L87 PolarHBondContact O-N 3.36Å; A85-L87 VanDerWaalsContact C-N 3.34Å; A85-L87 PolarHBondContact O-N 2.98Å; L87-I89 HydrophobicContact CB-CD1 4.5Å; L87-I89 HydrophobicContact CB-CG1 4.21Å; L87-V112 HydrophobicContact CD1-CG1 4.3Å; L87-V112 HydrophobicContact CD2-CG1 4.49Å; L87-L115 HydrophobicContact CD1-CB 3.55Å; L87-L115 HydrophobicContact CD1-CD1 3.88Å; L87-L115 HydrophobicContact CD1-CG 4.37Å; L87-L116 HydrophobicContact CD1-CD2 4.03Å; L87-L116 HydrophobicContact CD1-CG 4.04Å; L87-L116 HydrophobicContact CD2-CD2 4.09Å; L87-I120 HydrophobicContact CB-CD1 4.13Å; L87-I120 HydrophobicContact CD1-CD1 4.49Å; L87-M183 HydrophobicContact CD2-CG 4.49Å; L87-M183 HydrophobicContact CD2-SD 3.94Å
88G96.2Very high98.3Very high7 Ų76.5 Ų6.57%0.0724%0.038CC..THydrogen-bonded Turntrans68.734.917900000113.8R5 L84 A85 K127R5-G88 WeakPolarHBondContact CB-O 3.43Å; R5-G88 WeakPolarHBondContact CD-O 3.47Å; L84-G88 WeakPolarHBondContact O-CA 3.46Å; L84-G88 PolarHBondContact O-N 2.94Å; A85-G88 PolarHBondContact O-N 2.89Å; G88-K127 PolarHBondContact O-NZ 2.91Å
89I97.9Very high98.2Very high0 Ų07.6 Ų7.60%05%0.045CC..  trans-73.1123.6176.6-55.9-59.9000109.6R5 L7 L84 L87 I92 L115 I120R5-I89 HydrophobicContact CB-CD1 4.31Å; L7-I89 HydrophobicContact CD2-CD1 4.2Å; L84-I89 HydrophobicContact CB-CB 4.42Å; L84-I89 HydrophobicContact CD2-CB 3.83Å; L84-I89 HydrophobicContact CD2-CG1 4.11Å; L84-I89 HydrophobicContact CD2-CG2 3.95Å; L84-I89 PolarHBondContact O-N 2.77Å; L87-I89 HydrophobicContact CB-CD1 4.5Å; L87-I89 HydrophobicContact CB-CG1 4.21Å; I89-I92 HydrophobicContact CG2-CB 4.07Å; I89-I92 HydrophobicContact CG2-CG2 4.21Å; I89-L115 HydrophobicContact CG1-CD2 4.45Å; I89-I120 HydrophobicContact CD1-CD1 3.99Å; I89-I120 HydrophobicContact CD1-CG1 3.94Å; I89-I120 HydrophobicContact CD1-CG2 4.09Å
90D98.3Very high98.2Very high7 Ų77.4 Ų7.44%0.0374%0.044CC..  trans-102.1-33-176-61.3-74.9000112.7Q4 R5 G36 K127Q4-D90 VanDerWaalsContact CA-OD2 3.3Å; Q4-D90 WeakPolarHBondContact CA-OD2 3.41Å; Q4-D90 HydrophobicContact CB-CB 4.13Å; Q4-D90 HydrophobicContact CG-CB 4.28Å; R5-D90 PolarHBondContact N-OD2 2.81Å; R5-D90 PolarHBondContact O-N 3.4Å; G36-D90 CarbonylContact C-O 3.47Å; G36-D90 WeakPolarHBondContact CA-O 3.28Å; D90-K127 IonicContact OD1-NZ 3.44Å; D90-K127 PolarHBondContact OD1-NZ 2.9Å; D90-K127 IonicContact OD2-NZ 3.36Å; D90-K127 PolarHBondContact OD2-NZ 3.06Å
91N98.8Very high98.2Very high2 Ų27.4 Ų7.41%0.0114%0.044CC..  trans-128.8114.5-172.2-56.6-78.8000110.3Q4 R5 T6 A31 P32 N34 T35 G36 L123Q4-N91 PolarHBondContact OE1-ND2 2.78Å; R5-N91 PolarHBondContact O-N 2.99Å; T6-N91 WeakPolarHBondContact CA-O 3.35Å; T6-N91 WeakPolarHBondContact CB-O 3.26Å; T6-N91 PolarHBondContact OG1-O 2.99Å; A31-N91 HydrophobicContact CB-CB 4.07Å; P32-N91 WeakPolarHBondContact O-CB 3.48Å; P32-N91 PolarHBondContact O-OD1 3.05Å; N34-N91 PolarHBondContact N-OD1 2.75Å; T35-N91 PolarHBondContact N-OD1 2.87Å; G36-N91 PolarHBondContact N-OD1 3.18Å; G36-N91 VanDerWaalsContact N-OD1 3.07Å; G36-N91 WeakPolarHBondContact O-CA 3.39Å; N91-L123 HydrophobicContact CB-CD1 4.36Å
92I98.8Very high98.2Very high0 Ų07.4 Ų7.40%04%0.044CC..EExtended strand (participates in β ladder)trans-159.5142.2-177.9-170.5176.2000110.1L7 L28 R29 G36 V37 I38 L84 I89 I94 L115L7-I92 HydrophobicContact CD1-CD1 3.89Å; L7-I92 HydrophobicContact CD1-CG1 4.28Å; L7-I92 HydrophobicContact CG-CD1 4.38Å; L28-I92 HydrophobicContact CB-CD1 4.12Å; L28-I92 HydrophobicContact CD2-CD1 4.12Å; R29-I92 WeakPolarHBondContact O-CA 3.44Å; R29-I92 WeakPolarHBondContact O-CG1 3.23Å; G36-I92 PolarHBondContact O-N 2.93Å; V37-I92 HydrophobicContact CB-CG2 4.25Å; V37-I92 HydrophobicContact CG1-CG2 3.98Å; V37-I92 HydrophobicContact CG2-CG2 3.99Å; I38-I92 PolarHBondContact N-O 3.14Å; L84-I92 HydrophobicContact CD1-CG2 4.25Å; L84-I92 HydrophobicContact CD2-CD1 3.8Å; L84-I92 HydrophobicContact CD2-CG2 4.22Å; I89-I92 HydrophobicContact CG2-CB 4.07Å; I89-I92 HydrophobicContact CG2-CG2 4.21Å; I92-I94 HydrophobicContact CD1-CG1 4.1Å; I92-I94 HydrophobicContact CG1-CG1 4.14Å; I92-I94 HydrophobicContact CG2-CD1 4.15Å; I92-I94 HydrophobicContact CG2-CG1 4.11Å; I92-L115 HydrophobicContact CD1-CD2 4.04Å
93V98.9Very high98.2Very high16 Ų167.7 Ų7.710%0.0975%0.046CC..EExtended strand (participates in β ladder)trans-105.8122.1165.2-176.90000108.6R29 A31 I38 R40 E95R29-V93 HydrophobicContact CB-CB 4.26Å; R29-V93 PolarHBondContact N-O 3.41Å; R29-V93 PolarHBondContact O-N 3.33Å; A31-V93 HydrophobicContact CB-CG2 4.21Å; I38-V93 HydrophobicContact CB-CG2 4.48Å; I38-V93 CarbonylContact O-C 3.56Å; I38-V93 WeakPolarHBondContact O-CA 3.47Å; R40-V93 HydrophobicContact CB-CG1 4.37Å; V93-E95 HydrophobicContact CG1-CG 4.04Å
94I98.9Very high98.2Very high0 Ų010.4 Ų10.40%06%0.059CC..EExtended strand (participates in β ladder)trans-106.9101.5-175.7-59.1164.9000107.6L26 L28 V37 I38 Y39 R40 L80 L84 I92 I101L26-I94 HydrophobicContact CD1-CG2 3.61Å; L28-I94 HydrophobicContact CD2-CB 4.37Å; L28-I94 HydrophobicContact CD2-CG1 4.02Å; L28-I94 HydrophobicContact CD2-CG2 4Å; V37-I94 HydrophobicContact CG1-CD1 3.59Å; I38-I94 PolarHBondContact O-N 3.29Å; Y39-I94 CarbonylContact C-O 3.55Å; Y39-I94 WeakPolarHBondContact CA-O 3.2Å; Y39-I94 HydrophobicContact CD1-CB 3.89Å; Y39-I94 HydrophobicContact CD1-CD1 4.01Å; Y39-I94 HydrophobicContact CD1-CG2 3.69Å; Y39-I94 HydrophobicContact CD2-CD1 4.4Å; Y39-I94 HydrophobicContact CE1-CB 4.16Å; Y39-I94 HydrophobicContact CE1-CD1 3.54Å; Y39-I94 HydrophobicContact CE1-CG1 4.46Å; Y39-I94 HydrophobicContact CE1-CG2 3.78Å; Y39-I94 HydrophobicContact CE2-CD1 3.97Å; Y39-I94 HydrophobicContact CG-CB 4.39Å; Y39-I94 HydrophobicContact CG-CD1 4.39Å; Y39-I94 VanDerWaalsContact CZ-CD1 3.49Å; R40-I94 PolarHBondContact N-O 2.86Å; L80-I94 HydrophobicContact CD2-CD1 3.89Å; L80-I94 HydrophobicContact CD2-CG1 4.27Å; L80-I94 HydrophobicContact CD2-CG2 3.6Å; L80-I94 HydrophobicContact CG-CD1 4.41Å; L84-I94 HydrophobicContact CD1-CD1 3.79Å; I92-I94 HydrophobicContact CD1-CG1 4.1Å; I92-I94 HydrophobicContact CG1-CG1 4.14Å; I92-I94 HydrophobicContact CG2-CD1 4.15Å; I92-I94 HydrophobicContact CG2-CG1 4.11Å; I94-I101 HydrophobicContact CG2-CD1 4.24Å
95E98.8Very high98.1Very high20 Ų2012 Ų129%0.0937%0.067CC..EExtended strand (participates in β ladder)trans-97134-178.7-55.6-177.4161.700110.9L26 T27 R29 R40 T42 V93L26-E95 CarbonylContact C-O 3.55Å; L26-E95 WeakPolarHBondContact CA-O 3.34Å; T27-E95 PolarHBondContact N-O 2.96Å; T27-E95 PolarHBondContact O-N 3.32Å; R29-E95 WeakPolarHBondContact CD-OE1 3.48Å; R29-E95 IonicContact CZ-OE1 2.69Å; R29-E95 IonicContact CZ-OE2 2.99Å; R29-E95 VanDerWaalsContact CZ-OE2 3.29Å; R29-E95 IonicContact NE-OE1 3.07Å; R29-E95 PolarHBondContact NE-OE1 3.49Å; R29-E95 IonicContact NE-OE2 2.92Å; R29-E95 PolarHBondContact NE-OE2 3.14Å; R29-E95 IonicContact NH2-OE2 3.92Å; R29-E95 PolarHBondContact NH2-OE2 2.88Å; R40-E95 HydrophobicContact CB-CG 4.18Å; R40-E95 HydrophobicContact CG-CG 4.41Å; R40-E95 IonicContact NH1-OE1 2.69Å; R40-E95 PolarHBondContact NH1-OE1 3.41Å; R40-E95 WeakPolarHBondContact O-CA 3.26Å; T42-E95 HydrophobicContact CG2-CB 3.75Å; T42-E95 HydrophobicContact CG2-CG 4.01Å; V93-E95 HydrophobicContact CG1-CG 4.04Å
96V98.8Very high98.1Very high0 Ų011.8 Ų11.80%07%0.066CC..EExtended strand (participates in β ladder)trans-132.9144.6171.1-72.80000110.4V24 T25 L26 R40 R41 T42 I74 A98 I101V24-V96 HydrophobicContact CG1-CB 3.95Å; V24-V96 HydrophobicContact CG1-CG1 3.88Å; T25-V96 WeakPolarHBondContact O-CA 3.18Å; L26-V96 HydrophobicContact CB-CG1 4.48Å; L26-V96 HydrophobicContact CD1-CG1 3.72Å; R40-V96 PolarHBondContact O-N 3.02Å; R41-V96 CarbonylContact C-O 3.55Å; R41-V96 WeakPolarHBondContact CA-O 3.46Å; T42-V96 PolarHBondContact N-O 2.97Å; T42-V96 PolarHBondContact OG1-O 3.39Å; I74-V96 HydrophobicContact CD1-CG2 4.29Å; I74-V96 HydrophobicContact CG1-CG2 4.44Å; I74-V96 HydrophobicContact CG2-CG2 4.3Å; V96-A98 WeakPolarHBondContact CG2-O 3.37Å; V96-I101 HydrophobicContact CG1-CD1 3.7Å
97N98.5Very high98.2Very high65 Ų6511.7 Ų11.735%0.3487%0.065SC..SBendtrans-99.924.2176.767.6-12.7000112.8T25 D43T25-N97 PolarHBondContact N-OD1 3.42Å; T25-N97 PolarHBondContact O-OD1 3.21Å; D43-N97 HydrophobicContact CB-CB 4.19Å; D43-N97 WeakPolarHBondContact CB-O 3.29Å; D43-N97 VanDerWaalsContact OD1-C 3.27Å
98A98.2Very high98.3Very high4 Ų411.6 Ų11.63%0.0336%0.064CC..SBendtrans-155162.1-179.400000109.2V24 R41 D43 V96 E100V24-A98 HydrophobicContact CB-CB 4.16Å; V24-A98 HydrophobicContact CG1-CB 3.94Å; V24-A98 HydrophobicContact CG2-CB 3.63Å; R41-A98 WeakPolarHBondContact CD-O 3.22Å; R41-A98 PolarHBondContact NE-O 3.42Å; D43-A98 PolarHBondContact OD1-N 2.92Å; V96-A98 WeakPolarHBondContact CG2-O 3.37Å; A98-E100 PolarHBondContact O-N 3.34Å
99P97.9Very high98.5Very high26 Ų2612.4 Ų12.417%0.1697%0.07CC..SBendtrans-73.817.8-176.130-36.4000115.7T20 K22 R73 I74 S75T20-P99 HydrophobicContact CG2-CG 4.23Å; K22-P99 HydrophobicContact CD-CG 4.48Å; R73-P99 WeakPolarHBondContact O-CA 3.31Å; I74-P99 WeakPolarHBondContact CA-O 3.22Å; S75-P99 PolarHBondContact N-O 3Å; S75-P99 PolarHBondContact OG-O 3.4Å
100E98.5Very high98.5Very high0 Ų013.6 Ų13.60%08%0.078CC..BIsolated β-bridgetrans-153.2146.7-172.2-178.6166.6-158.400110.7G17 L18 H19 T20 V24 S75 T76 A98G17-E100 VanDerWaalsContact C-OE2 3.23Å; G17-E100 VanDerWaalsContact CA-CD 3.41Å; G17-E100 WeakPolarHBondContact CA-OE2 3.32Å; L18-E100 VanDerWaalsContact N-CD 3.34Å; L18-E100 PolarHBondContact N-OE1 2.91Å; L18-E100 PolarHBondContact N-OE2 2.93Å; H19-E100 IonicContact CD2-OE1 2.69Å; H19-E100 IonicContact CG-OE1 3.93Å; H19-E100 PolarHBondContact N-OE1 2.95Å; H19-E100 PolarHBondContact N-OE2 2.64Å; T20-E100 VanDerWaalsContact CB-OE2 3.27Å; T20-E100 WeakPolarHBondContact CB-OE2 3.48Å; T20-E100 HydrophobicContact CG2-CB 4.18Å; T20-E100 VanDerWaalsContact CG2-OE2 3.23Å; T20-E100 WeakPolarHBondContact CG2-OE2 3.35Å; T20-E100 PolarHBondContact N-OE2 3.35Å; T20-E100 PolarHBondContact OG1-OE2 3.46Å; V24-E100 WeakPolarHBondContact CG1-O 3.36Å; S75-E100 VanDerWaalsContact OG-CB 3.27Å; S75-E100 WeakPolarHBondContact OG-CB 2.95Å; S75-E100 WeakPolarHBondContact OG-CG 3.46Å; T76-E100 PolarHBondContact OG1-OE1 3.42Å; A98-E100 PolarHBondContact O-N 3.34Å
101I98.7Very high98.5Very high1 Ų113.3 Ų13.31%0.0058%0.077CC..  trans-73.2135.7168.5-57.9-53.4000109.3L26 Y39 I74 S75 T76 V77 L80 I94 V96 I103 F111L26-I101 HydrophobicContact CD1-CD1 4.49Å; Y39-I101 HydrophobicContact CD1-CD1 4.03Å; Y39-I101 HydrophobicContact CE1-CD1 3.92Å; Y39-I101 HydrophobicContact CE1-CG1 4.34Å; I74-I101 HydrophobicContact CG2-CD1 3.9Å; I74-I101 HydrophobicContact CG2-CG1 4.22Å; S75-I101 PolarHBondContact O-N 3.08Å; T76-I101 WeakPolarHBondContact O-CB 3.42Å; V77-I101 HydrophobicContact CB-CG1 4.47Å; V77-I101 HydrophobicContact CG1-CG1 3.94Å; L80-I101 HydrophobicContact CB-CG2 4.39Å; L80-I101 HydrophobicContact CD2-CG2 4.4Å; I94-I101 HydrophobicContact CG2-CD1 4.24Å; V96-I101 HydrophobicContact CG1-CD1 3.7Å; I101-I103 PolarHBondContact O-N 3.26Å; I101-F111 HydrophobicContact CG2-CE1 4.02Å; I101-F111 HydrophobicContact CG2-CZ 3.74Å
102P98.5Very high98.5Very high0 Ų013.7 Ų13.70%08%0.079CC..BIsolated β-bridgetrans-59.9132.9177.525-33.3000110.5V16 V24 L26 M104 F111V16-P102 CarbonylContact O-C 3.36Å; V16-P102 WeakPolarHBondContact O-CA 3.5Å; V24-P102 HydrophobicContact CB-CB 4.2Å; V24-P102 HydrophobicContact CB-CG 4.45Å; L26-P102 HydrophobicContact CB-CG 3.83Å; L26-P102 HydrophobicContact CD2-CG 4.17Å; P102-M104 HydrophobicContact CB-SD 4.07Å; P102-M104 HydrophobicContact CG-SD 4.13Å; P102-M104 PolarHBondContact O-N 3.11Å; P102-F111 VanDerWaalsContact O-CZ 3.27Å; P102-F111 WeakPolarHBondContact O-CZ 3.28Å
103I98.3Very high98.4Very high6 Ų621.3 Ų21.33%0.03111%0.109CC..  trans-69.5-18.7-174.5-166.755.7000113.6V16 L18 T76 I101 D105 G106 T191 C214V16-I103 WeakPolarHBondContact O-CG2 3.33Å; V16-I103 PolarHBondContact O-N 2.99Å; L18-I103 HydrophobicContact CB-CB 3.85Å; L18-I103 HydrophobicContact CB-CD1 3.96Å; L18-I103 HydrophobicContact CB-CG1 3.8Å; L18-I103 HydrophobicContact CB-CG2 4.44Å; L18-I103 HydrophobicContact CD1-CG1 4.23Å; L18-I103 HydrophobicContact CD2-CD1 3.93Å; L18-I103 HydrophobicContact CD2-CG1 4.27Å; L18-I103 HydrophobicContact CG-CD1 4.43Å; L18-I103 HydrophobicContact CG-CG1 4.31Å; T76-I103 HydrophobicContact CG2-CD1 4.04Å; I101-I103 PolarHBondContact O-N 3.26Å; I103-D105 PolarHBondContact O-N 3.49Å; I103-G106 PolarHBondContact O-N 2.89Å; I103-T191 HydrophobicContact CD1-CG2 4.45Å; I103-C214 HydrophobicContact CG1-CB 4.31Å; I103-C214 HydrophobicContact CG2-CB 3.77Å
104M98.2Very high98.4Very high57 Ų5721.5 Ų21.528%0.28111%0.109SC..THydrogen-bonded Turntrans55.5-117.4-175-52.5-59.6-67.900110.6A13 P102 P110 F111 C214A13-M104 HydrophobicContact CB-CE 4.23Å; P102-M104 HydrophobicContact CB-SD 4.07Å; P102-M104 HydrophobicContact CG-SD 4.13Å; P102-M104 PolarHBondContact O-N 3.11Å; M104-P110 HydrophobicContact CB-CB 3.65Å; M104-P110 HydrophobicContact CB-CG 3.67Å; M104-P110 HydrophobicContact CE-CB 3.92Å; M104-P110 HydrophobicContact CG-CB 3.93Å; M104-P110 HydrophobicContact CG-CG 4.48Å; M104-F111 HydrophobicContact CG-CD1 4.45Å; M104-F111 HydrophobicContact CG-CE1 3.72Å; M104-F111 HydrophobicContact CG-CE2 4.37Å; M104-F111 HydrophobicContact CG-CZ 3.69Å; M104-C214 WeakPolarHBondContact O-CB 3.13Å
105D97.8Very high98.4Very high32 Ų3221.5 Ų21.517%0.17111%0.109CC..THydrogen-bonded Turntrans-99.113.1176.882.7-28.5000112.8I103 S107 P110 R190 C214 R230I103-D105 PolarHBondContact O-N 3.49Å; D105-S107 VanDerWaalsContact C-N 3.28Å; D105-S107 VanDerWaalsContact CG-OG 3.29Å; D105-S107 PolarHBondContact O-N 3.26Å; D105-S107 WeakPolarHBondContact OD1-CB 3.48Å; D105-S107 PolarHBondContact OD1-N 3.11Å; D105-S107 PolarHBondContact OD1-OG 3.5Å; D105-S107 PolarHBondContact OD2-OG 3.17Å; D105-P110 HydrophobicContact CB-CG 4.15Å; D105-P110 WeakPolarHBondContact OD1-CD 3.25Å; D105-P110 WeakPolarHBondContact OD1-CG 3.4Å; D105-R190 WeakPolarHBondContact O-CG 3.39Å; D105-C214 VanDerWaalsContact C-CA 3.46Å; D105-C214 WeakPolarHBondContact O-CA 3.46Å; D105-R230 IonicContact OD2-CZ 3.56Å; D105-R230 VanDerWaalsContact OD2-CZ 3.25Å; D105-R230 IonicContact OD2-NH1 2.76Å; D105-R230 PolarHBondContact OD2-NH1 2.85Å; D105-R230 IonicContact OD2-NH2 2.64Å; D105-R230 PolarHBondContact OD2-NH2 3.08Å
106G98.1Very high98.3Very high0 Ų022.9 Ų22.90%012%0.117CC..SBendtrans82.7-2.4-17700000115.4H79 I103 R190 T191 C214H79-G106 PolarHBondContact CE1-O 3.25Å; H79-G106 PolarHBondContact ND1-O 3.34Å; I103-G106 PolarHBondContact O-N 2.89Å; G106-R190 CarbonylContact O-C 3.36Å; G106-R190 WeakPolarHBondContact O-CA 3.34Å; G106-T191 PolarHBondContact O-N 3.39Å; G106-C214 WeakPolarHBondContact CA-O 3.27Å
107S98.6Very high98.2Very high0 Ų026.2 Ų26.20%014%0.135CC..SBendtrans-116.7179.1178.580.20000111.6D105 A109 S187 A189D105-S107 VanDerWaalsContact C-N 3.28Å; D105-S107 VanDerWaalsContact CG-OG 3.29Å; D105-S107 PolarHBondContact O-N 3.26Å; D105-S107 WeakPolarHBondContact OD1-CB 3.48Å; D105-S107 PolarHBondContact OD1-N 3.11Å; D105-S107 PolarHBondContact OD1-OG 3.5Å; D105-S107 PolarHBondContact OD2-OG 3.17Å; S107-A109 PolarHBondContact OG-N 3.28Å; S107-S187 VanDerWaalsContact CB-O 3.25Å; S107-S187 WeakPolarHBondContact CB-O 3.37Å; S107-S187 PolarHBondContact OG-O 2.83Å; S107-A189 WeakPolarHBondContact CB-O 3.2Å
108A98.7Very high98.2Very high0 Ų023.1 Ų23.10%012%0.118CC..SBendtrans-84.3-1317400000112.9H79 A82 A83 F111 V112 F182 S187 L241H79-A108 WeakPolarHBondContact O-CB 3.29Å; A82-A108 HydrophobicContact CB-CB 4.5Å; A83-A108 HydrophobicContact CB-CB 4.31Å; A108-F111 WeakPolarHBondContact O-CB 3.39Å; A108-F111 PolarHBondContact O-N 3.07Å; A108-V112 PolarHBondContact O-N 2.96Å; A108-F182 HydrophobicContact CB-CZ 4.08Å; A108-S187 CarbonylContact C-O 3.57Å; A108-S187 WeakPolarHBondContact CA-O 3.27Å; A108-S187 PolarHBondContact N-O 3.42Å; A108-L241 HydrophobicContact CB-CD1 3.72Å; A108-L241 HydrophobicContact CB-CD2 4.35Å; A108-L241 HydrophobicContact CB-CG 4.21Å
109A98.5Very high98.2Very high24 Ų2423.6 Ų23.620%0.19812%0.124CC..Hα-helixtrans-59.7-40.4-172.200000113.9S107 F111 V112 Y113 S187 R188S107-A109 PolarHBondContact OG-N 3.28Å; A109-F111 VanDerWaalsContact C-N 3.3Å; A109-F111 PolarHBondContact O-N 2.61Å; A109-V112 WeakPolarHBondContact O-CB 3.17Å; A109-V112 PolarHBondContact O-N 2.93Å; A109-Y113 PolarHBondContact O-N 2.91Å; A109-S187 PolarHBondContact N-O 2.95Å; A109-R188 HydrophobicContact CB-CG 3.96Å
110P98.5Very high98.1Very high26 Ų2624.3 Ų24.317%0.16913%0.126CC..Hα-helixtrans-62-36.4174.4-26.237.4000112.9M104 D105 Y113 L114M104-P110 HydrophobicContact CB-CB 3.65Å; M104-P110 HydrophobicContact CB-CG 3.67Å; M104-P110 HydrophobicContact CE-CB 3.92Å; M104-P110 HydrophobicContact CG-CB 3.93Å; M104-P110 HydrophobicContact CG-CG 4.48Å; D105-P110 HydrophobicContact CB-CG 4.15Å; D105-P110 WeakPolarHBondContact OD1-CD 3.25Å; D105-P110 WeakPolarHBondContact OD1-CG 3.4Å; P110-Y113 WeakPolarHBondContact O-CB 3.42Å; P110-Y113 PolarHBondContact O-N 2.86Å; P110-L114 VanDerWaalsContact O-CG 3.31Å; P110-L114 WeakPolarHBondContact O-CG 3.47Å; P110-L114 PolarHBondContact O-N 2.89Å
111F98.8Very high98.1Very high1 Ų127.9 Ų27.90%0.00414%0.144CC..Hα-helixtrans-71.1-41175.7-55.8-60.5000111.8L26 H79 L80 A83 I101 P102 M104 A108 A109 Y113 L114 L115L26-F111 HydrophobicContact CD2-CD1 4.03Å; L26-F111 HydrophobicContact CD2-CE1 3.72Å; H79-F111 HydrophobicContact CB-CD2 4.12Å; H79-F111 HydrophobicContact CB-CE2 3.73Å; L80-F111 HydrophobicContact CB-CD1 4.41Å; L80-F111 HydrophobicContact CB-CD2 4.22Å; L80-F111 HydrophobicContact CB-CE2 4.35Å; L80-F111 HydrophobicContact CB-CG 4.26Å; L80-F111 HydrophobicContact CB-CZ 4.47Å; L80-F111 HydrophobicContact CD1-CB 3.82Å; L80-F111 HydrophobicContact CD1-CD1 3.87Å; L80-F111 HydrophobicContact CD1-CG 3.86Å; A83-F111 HydrophobicContact CB-CB 3.67Å; I101-F111 HydrophobicContact CG2-CE1 4.02Å; I101-F111 HydrophobicContact CG2-CZ 3.74Å; P102-F111 VanDerWaalsContact O-CZ 3.27Å; P102-F111 WeakPolarHBondContact O-CZ 3.28Å; M104-F111 HydrophobicContact CG-CD1 4.45Å; M104-F111 HydrophobicContact CG-CE1 3.72Å; M104-F111 HydrophobicContact CG-CE2 4.37Å; M104-F111 HydrophobicContact CG-CZ 3.69Å; A108-F111 WeakPolarHBondContact O-CB 3.39Å; A108-F111 PolarHBondContact O-N 3.07Å; A109-F111 VanDerWaalsContact C-N 3.3Å; A109-F111 PolarHBondContact O-N 2.61Å; F111-Y113 VanDerWaalsContact C-N 3.27Å; F111-Y113 PolarHBondContact O-N 2.84Å; F111-L114 HydrophobicContact CD1-CD1 4.43Å; F111-L114 PolarHBondContact O-N 3.49Å; F111-L115 WeakPolarHBondContact O-CB 3.43Å; F111-L115 WeakPolarHBondContact O-CG 3.46Å; F111-L115 PolarHBondContact O-N 2.64Å
112V98.4Very high97.9Very high10 Ų1032.5 Ų32.56%0.06117%0.166CC..Hα-helixtrans-54.9-47.3171.6171.10000110A83 L87 A108 A109 L114 L115 L116 F182 M183A83-V112 HydrophobicContact CB-CG2 3.8Å; L87-V112 HydrophobicContact CD1-CG1 4.3Å; L87-V112 HydrophobicContact CD2-CG1 4.49Å; A108-V112 PolarHBondContact O-N 2.96Å; A109-V112 WeakPolarHBondContact O-CB 3.17Å; A109-V112 PolarHBondContact O-N 2.93Å; V112-L114 PolarHBondContact O-N 2.94Å; V112-L115 PolarHBondContact O-N 2.69Å; V112-L116 HydrophobicContact CG1-CD1 3.81Å; V112-L116 HydrophobicContact CG1-CG 4.32Å; V112-L116 WeakPolarHBondContact O-CB 3.27Å; V112-L116 VanDerWaalsContact O-CG 3.27Å; V112-L116 WeakPolarHBondContact O-CG 3.34Å; V112-L116 PolarHBondContact O-N 2.67Å; V112-F182 HydrophobicContact CG2-CE1 3.86Å; V112-M183 HydrophobicContact CG1-CG 4.03Å; V112-M183 HydrophobicContact CG1-SD 4.02Å
113Y98.1Very high97.9Very high160 Ų16034.1 Ų34.163%0.62717%0.174SC*.Hα-helixtrans-58-49.2176.5174.5-95.4000112.2A109 P110 F111 L115 L116 D117A109-Y113 PolarHBondContact O-N 2.91Å; P110-Y113 WeakPolarHBondContact O-CB 3.42Å; P110-Y113 PolarHBondContact O-N 2.86Å; F111-Y113 VanDerWaalsContact C-N 3.27Å; F111-Y113 PolarHBondContact O-N 2.84Å; Y113-L115 PolarHBondContact O-N 3.36Å; Y113-L116 PolarHBondContact O-N 3.43Å; Y113-D117 WeakPolarHBondContact O-CB 3.25Å; Y113-D117 PolarHBondContact O-N 2.81Å
114L98.4Very high97.7Very high19 Ų1940.7 Ų40.710%0.09921%0.21CC..Hα-helixtrans-60.6-43.1178.9-70.2167.8000112.3V11 A13 L28 P110 F111 V112 D117 A118V11-L114 HydrophobicContact CG2-CB 4.25Å; A13-L114 HydrophobicContact CB-CD1 3.58Å; A13-L114 HydrophobicContact CB-CD2 4.09Å; A13-L114 HydrophobicContact CB-CG 4.48Å; L28-L114 HydrophobicContact CD1-CB 4.26Å; P110-L114 VanDerWaalsContact O-CG 3.31Å; P110-L114 WeakPolarHBondContact O-CG 3.47Å; P110-L114 PolarHBondContact O-N 2.89Å; F111-L114 HydrophobicContact CD1-CD1 4.43Å; F111-L114 PolarHBondContact O-N 3.49Å; V112-L114 PolarHBondContact O-N 2.94Å; L114-D117 PolarHBondContact O-N 2.88Å; L114-A118 WeakPolarHBondContact O-CB 3.21Å; L114-A118 PolarHBondContact O-N 2.9Å
115L98.5Very high97.6Very high0 Ų039.4 Ų39.40%021%0.206CC..Hα-helixtrans-66-40.1179.6-67.4168000111.7L7 L28 A83 L84 L87 I89 I92 F111 V112 Y113 G119L7-L115 HydrophobicContact CD1-CD2 4.29Å; L7-L115 HydrophobicContact CD2-CD2 3.77Å; L28-L115 HydrophobicContact CD1-CD2 3.85Å; L28-L115 HydrophobicContact CD1-CG 4.32Å; A83-L115 HydrophobicContact CB-CD1 3.88Å; L84-L115 HydrophobicContact CD2-CD1 3.87Å; L84-L115 HydrophobicContact CD2-CD2 3.78Å; L87-L115 HydrophobicContact CD1-CB 3.55Å; L87-L115 HydrophobicContact CD1-CD1 3.88Å; L87-L115 HydrophobicContact CD1-CG 4.37Å; I89-L115 HydrophobicContact CG1-CD2 4.45Å; I92-L115 HydrophobicContact CD1-CD2 4.04Å; F111-L115 WeakPolarHBondContact O-CB 3.43Å; F111-L115 WeakPolarHBondContact O-CG 3.46Å; F111-L115 PolarHBondContact O-N 2.64Å; V112-L115 PolarHBondContact O-N 2.69Å; Y113-L115 PolarHBondContact O-N 3.36Å; L115-G119 PolarHBondContact O-N 2.84Å
116L96.8Very high97.6Very high49 Ų4939 Ų3926%0.25721%0.208SC..Hα-helixtrans-70.8-41.1175.6-67.2176.9000111.7L87 V112 Y113 A118 G119 I120 M183 V303L87-L116 HydrophobicContact CD1-CD2 4.03Å; L87-L116 HydrophobicContact CD1-CG 4.04Å; L87-L116 HydrophobicContact CD2-CD2 4.09Å; V112-L116 HydrophobicContact CG1-CD1 3.81Å; V112-L116 HydrophobicContact CG1-CG 4.32Å; V112-L116 WeakPolarHBondContact O-CB 3.27Å; V112-L116 VanDerWaalsContact O-CG 3.27Å; V112-L116 WeakPolarHBondContact O-CG 3.34Å; V112-L116 PolarHBondContact O-N 2.67Å; Y113-L116 PolarHBondContact O-N 3.43Å; L116-A118 PolarHBondContact O-N 3.25Å; L116-G119 WeakPolarHBondContact O-CA 3.39Å; L116-G119 PolarHBondContact O-N 2.98Å; L116-I120 HydrophobicContact CD2-CD1 4.3Å; L116-M183 HydrophobicContact CD1-SD 4.23Å; L116-V303 HydrophobicContact CD2-CG1 3.8Å; L116-V303 HydrophobicContact CD2-CG2 3.95Å
117D97.2Very high97.5Very high71 Ų7139.5 Ų39.538%0.3821%0.209SC..Hα-helixtrans-57.4-50.7174.6177.266.1000110.1R9 Y113 L114 G119R9-D117 IonicContact CZ-OD2 3.84Å; R9-D117 PolarHBondContact NH1-O 3.43Å; R9-D117 PolarHBondContact NH2-O 3.33Å; R9-D117 IonicContact NH2-OD1 3.09Å; R9-D117 PolarHBondContact NH2-OD1 2.89Å; R9-D117 VanDerWaalsContact NH2-OD1 3.09Å; R9-D117 IonicContact NH2-OD2 2.88Å; R9-D117 PolarHBondContact NH2-OD2 3.38Å; Y113-D117 WeakPolarHBondContact O-CB 3.25Å; Y113-D117 PolarHBondContact O-N 2.81Å; L114-D117 PolarHBondContact O-N 2.88Å; D117-G119 PolarHBondContact O-N 3.37Å
118A97.9Very high97.4Very high0 Ų043.6 Ų43.60%023%0.227CC..Hα-helixtrans-52.9-27.9175.700000112.8L7 K8 R9 V11 L114 L116L7-A118 HydrophobicContact CB-CB 4.22Å; L7-A118 HydrophobicContact CD1-CB 4.11Å; L7-A118 HydrophobicContact CD2-CB 4.18Å; L7-A118 HydrophobicContact CG-CB 4.4Å; K8-A118 WeakPolarHBondContact CB-O 3.44Å; R9-A118 WeakPolarHBondContact CG-O 3.16Å; R9-A118 PolarHBondContact N-O 2.96Å; R9-A118 PolarHBondContact NH1-O 3Å; V11-A118 HydrophobicContact CB-CB 4.28Å; V11-A118 HydrophobicContact CG1-CB 3.47Å; V11-A118 VanDerWaalsContact CG1-CB 3.47Å; V11-A118 HydrophobicContact CG2-CB 3.84Å; L114-A118 WeakPolarHBondContact O-CB 3.21Å; L114-A118 PolarHBondContact O-N 2.9Å; L116-A118 PolarHBondContact O-N 3.25Å
119G97.5Very high97.4Very high14 Ų1443.6 Ų43.614%0.14423%0.227CC..  trans77144.6-172.200000111L7 K8 L115 L116 D117L7-G119 CarbonylContact C-O 3.59Å; L7-G119 WeakPolarHBondContact CA-O 3.48Å; K8-G119 PolarHBondContact N-O 2.96Å; L115-G119 PolarHBondContact O-N 2.84Å; L116-G119 WeakPolarHBondContact O-CA 3.39Å; L116-G119 PolarHBondContact O-N 2.98Å; D117-G119 PolarHBondContact O-N 3.37Å
120I97Very high97.3Very high41 Ų4142.6 Ų42.621%0.2122%0.219CC..EExtended strand (participates in β ladder)trans-98.6131.6179.3-58.3179.6000108.8R5 T6 K8 L87 I89 L116R5-I120 HydrophobicContact CB-CG2 3.93Å; R5-I120 HydrophobicContact CG-CG2 3.86Å; T6-I120 WeakPolarHBondContact O-CA 3.36Å; K8-I120 WeakPolarHBondContact CE-O 3.41Å; L87-I120 HydrophobicContact CB-CD1 4.13Å; L87-I120 HydrophobicContact CD1-CD1 4.49Å; I89-I120 HydrophobicContact CD1-CD1 3.99Å; I89-I120 HydrophobicContact CD1-CG1 3.94Å; I89-I120 HydrophobicContact CD1-CG2 4.09Å; L116-I120 HydrophobicContact CD2-CD1 4.3Å
121D96.8Very high97.3Very high74 Ų7444.7 Ų44.740%0.39622%0.223SC..EExtended strand (participates in β ladder)trans-112.3150.6173.1-158.419.9000111.3R5 T6 K8R5-D121 VanDerWaalsContact CA-O 3.32Å; R5-D121 WeakPolarHBondContact CA-O 3.35Å; T6-D121 HydrophobicContact CG2-CB 3.96Å; T6-D121 PolarHBondContact N-O 3.28Å; T6-D121 PolarHBondContact O-N 2.69Å; K8-D121 HydrophobicContact CG-CB 3.76Å
122E96.3Very high97.3Very high98 Ų9844.9 Ų44.946%0.45822%0.224SC..EExtended strand (participates in β ladder)trans-105.8123.4177.3-67.3-169154.600111K3K3-E122 HydrophobicContact CB-CB 4.08Å; K3-E122 HydrophobicContact CB-CG 4.46Å; K3-E122 HydrophobicContact CD-CB 3.94Å
123L97Very high97.3Very high34 Ų3449.3 Ų49.318%0.17824%0.243CC..EExtended strand (participates in β ladder)trans-88.9143.3177.6-60.8173.1000109.7K3 Q4 T6 A33 N91 C125K3-L123 WeakPolarHBondContact CB-O 3.48Å; K3-L123 WeakPolarHBondContact CG-O 3.09Å; Q4-L123 HydrophobicContact CB-CB 4.43Å; Q4-L123 PolarHBondContact O-N 3.27Å; T6-L123 HydrophobicContact CG2-CD1 3.85Å; T6-L123 HydrophobicContact CG2-CD2 3.81Å; T6-L123 HydrophobicContact CG2-CG 3.75Å; A33-L123 HydrophobicContact CB-CB 4.24Å; A33-L123 HydrophobicContact CB-CD1 4.01Å; N91-L123 HydrophobicContact CB-CD1 4.36Å; L123-C125 PolarHBondContact O-N 2.66Å
124N95.4Very high97.3Very high144 Ų14445.4 Ų45.477%0.7723%0.23SC*.EExtended strand (participates in β ladder)trans-74.556.7179-166.635.2000112.6
125C96.3Very high97.4Very high31 Ų3147.7 Ų47.721%0.20925%0.245CC..EExtended strand (participates in β ladder)trans-144.4143.4179.5-167.30000109.3K3 Q4 A33 N34 L123 K127K3-C125 CarbonylContact C-O 3.29Å; K3-C125 WeakPolarHBondContact CA-O 3.47Å; Q4-C125 HydrophobicContact CG-CB 4.48Å; Q4-C125 PolarHBondContact N-O 3.47Å; A33-C125 HydrophobicContact CB-CB 3.74Å; N34-C125 PolarHBondContact ND2-SG 3.03Å; N34-C125 VanDerWaalsContact ND2-SG 3.42Å; L123-C125 PolarHBondContact O-N 2.66Å; C125-K127 PolarHBondContact O-N 2.86Å
126A95.9Very high97.4Very high24 Ų2448.5 Ų48.520%0.19825%0.25CC..EExtended strand (participates in β ladder)trans-66.5129.5-177.900000111.5M1 Q4 T286M1-A126 HydrophobicContact CG-CB 4.13Å; M1-A126 HydrophobicContact SD-CB 3.6Å; M1-A126 VanDerWaalsContact SD-CB 3.6Å; Q4-A126 WeakPolarHBondContact CG-O 3.42Å; Q4-A126 PolarHBondContact NE2-O 3.23Å; A126-T286 HydrophobicContact CB-CG2 4.01Å
127K96.7Very high97.4Very high9 Ų950.8 Ų50.84%0.03926%0.255CS..PPolyproline II helixtrans-70.5134.3169.2-177.6172.7174.9890109.8I2 Q4 G88 D90 C125 F129 N253 T286I2-K127 HydrophobicContact CG2-CB 4.03Å; I2-K127 HydrophobicContact CG2-CD 4.13Å; I2-K127 PolarHBondContact O-N 3.41Å; Q4-K127 HydrophobicContact CG-CB 4.33Å; G88-K127 PolarHBondContact O-NZ 2.91Å; D90-K127 IonicContact OD1-NZ 3.44Å; D90-K127 PolarHBondContact OD1-NZ 2.9Å; D90-K127 IonicContact OD2-NZ 3.36Å; D90-K127 PolarHBondContact OD2-NZ 3.06Å; C125-K127 PolarHBondContact O-N 2.86Å; K127-F129 HydrophobicContact CB-CE2 4.24Å; K127-F129 HydrophobicContact CD-CE1 4.19Å; K127-F129 HydrophobicContact CD-CE2 3.92Å; K127-F129 HydrophobicContact CD-CZ 3.54Å; K127-F129 VanDerWaalsContact CE-CZ 3.44Å; K127-F129 HydrophobicContact CG-CD2 4.41Å; K127-F129 HydrophobicContact CG-CE2 3.82Å; K127-F129 HydrophobicContact CG-CZ 3.95Å; K127-N253 WeakPolarHBondContact CE-OD1 3.36Å; K127-N253 PolarHBondContact NZ-OD1 2.89Å; K127-T286 WeakPolarHBondContact O-CG2 3.17Å
128K97Very high97.5Very high86 Ų8648.1 Ų48.137%0.37424%0.241SC..PPolyproline II helixtrans-101.2141.4173.4-66.9179.3-178176.80110.2H252 Y284 V285 T286K128-H252 PolarHBondContact O-ND1 3.02Å; K128-Y284 HydrophobicContact CB-CD1 4.25Å; K128-Y284 HydrophobicContact CD-CD1 4.48Å; K128-Y284 HydrophobicContact CD-CG 4.43Å; K128-V285 CarbonylContact C-O 3.58Å; K128-V285 WeakPolarHBondContact CA-O 2.82Å; K128-T286 HydrophobicContact CG-CG2 3.85Å
129F97.6Very high97.5Very high1 Ų153 Ų530%0.00426%0.264CS..EExtended strand (participates in β ladder)trans-119.3150.5171.4-60.4-98.1000109.1I2 K127 N253 I255 Y284 V285 F287 L293 F297I2-F129 HydrophobicContact CG2-CE2 4.27Å; I2-F129 HydrophobicContact CG2-CZ 4.28Å; K127-F129 HydrophobicContact CB-CE2 4.24Å; K127-F129 HydrophobicContact CD-CE1 4.19Å; K127-F129 HydrophobicContact CD-CE2 3.92Å; K127-F129 HydrophobicContact CD-CZ 3.54Å; K127-F129 VanDerWaalsContact CE-CZ 3.44Å; K127-F129 HydrophobicContact CG-CD2 4.41Å; K127-F129 HydrophobicContact CG-CE2 3.82Å; K127-F129 HydrophobicContact CG-CZ 3.95Å; F129-N253 WeakPolarHBondContact CA-O 3.24Å; F129-N253 HydrophobicContact CD1-CB 3.75Å; F129-N253 HydrophobicContact CE1-CB 3.98Å; F129-I255 HydrophobicContact CB-CD1 3.6Å; F129-I255 HydrophobicContact CB-CG1 4.04Å; F129-I255 HydrophobicContact CD1-CD1 4.19Å; F129-I255 HydrophobicContact CD1-CG1 4.26Å; F129-I255 HydrophobicContact CG-CD1 3.9Å; F129-I255 HydrophobicContact CG-CG1 4.38Å; F129-Y284 WeakPolarHBondContact O-CA 3.47Å; F129-V285 HydrophobicContact CB-CG2 3.89Å; F129-V285 PolarHBondContact N-O 3.42Å; F129-V285 PolarHBondContact O-N 2.99Å; F129-F287 AromaticContact CD2-CD2 3.88Å; F129-F287 HydrophobicContact CD2-CD2 3.88Å; F129-F287 AromaticContact CD2-CE2 3.79Å; F129-F287 HydrophobicContact CD2-CE2 3.79Å; F129-F287 AromaticContact CE2-CD2 3.85Å; F129-F287 HydrophobicContact CE2-CD2 3.85Å; F129-F287 HydrophobicContact CE2-CE2 4.11Å; F129-F287 HydrophobicContact CG-CE2 4.34Å; F129-L293 HydrophobicContact CE1-CD1 4.21Å; F129-L293 HydrophobicContact CE2-CD1 3.78Å; F129-L293 HydrophobicContact CZ-CD1 3.51Å; F129-F297 HydrophobicContact CD1-CD1 4.48Å; F129-F297 HydrophobicContact CD1-CD2 4.27Å; F129-F297 HydrophobicContact CD1-CE2 4.43Å; F129-F297 HydrophobicContact CD1-CG 4.3Å; F129-F297 HydrophobicContact CE1-CB 3.89Å; F129-F297 AromaticContact CE1-CD1 3.84Å; F129-F297 HydrophobicContact CE1-CD1 3.84Å; F129-F297 AromaticContact CE1-CD2 3.91Å; F129-F297 HydrophobicContact CE1-CD2 3.91Å; F129-F297 HydrophobicContact CE1-CE1 4.39Å; F129-F297 HydrophobicContact CE1-CE2 4.46Å; F129-F297 AromaticContact CE1-CG 3.57Å; F129-F297 HydrophobicContact CE1-CG 3.57Å; F129-F297 HydrophobicContact CZ-CB 4.19Å; F129-F297 HydrophobicContact CZ-CG 4.34Å
130V98.1Very high97.5Very high3 Ų357 Ų572%0.01828%0.282CS..EExtended strand (participates in β ladder)trans-90.4108.7168.6169.60000107.7I132 H252 N253 I254 I255 W282 Y284V130-I132 HydrophobicContact CG1-CD1 4.42Å; V130-H252 HydrophobicContact CG2-CB 3.96Å; V130-N253 PolarHBondContact N-O 3.04Å; V130-I254 HydrophobicContact CB-CG1 4.2Å; V130-I254 HydrophobicContact CG1-CG1 4.42Å; V130-I254 CarbonylContact O-C 3.56Å; V130-I254 VanDerWaalsContact O-CA 3.32Å; V130-I254 WeakPolarHBondContact O-CA 3.16Å; V130-I255 PolarHBondContact O-N 3.47Å; V130-W282 HydrophobicContact CB-CE3 4.48Å; V130-W282 HydrophobicContact CG1-CB 4.18Å; V130-W282 HydrophobicContact CG1-CD2 4.27Å; V130-W282 HydrophobicContact CG1-CE3 3.85Å; V130-W282 HydrophobicContact CG1-CG 4.44Å; V130-W282 HydrophobicContact CG2-CE3 4.2Å; V130-W282 HydrophobicContact CG2-CZ3 4.18Å; V130-Y284 HydrophobicContact CG2-CD1 4.11Å; V130-Y284 HydrophobicContact CG2-CE1 3.72Å
131R98.4Very high97.5Very high70 Ų7058.6 Ų58.626%0.26431%0.309SS..EExtended strand (participates in β ladder)trans-93.8124.4176.5179.5-177.5-70.7166.2-3.5110.2I255 W282 E283 V285R131-I255 HydrophobicContact CB-CB 4.31Å; R131-I255 HydrophobicContact CG-CB 4.4Å; R131-I255 HydrophobicContact CG-CG2 4.27Å; R131-W282 CarbonylContact O-C 3.2Å; R131-W282 WeakPolarHBondContact O-CA 3.48Å; R131-W282 WeakPolarHBondContact O-CB 3.47Å; R131-E283 HydrophobicContact CB-CG 4.2Å; R131-E283 PolarHBondContact N-O 2.91Å; R131-E283 IonicContact NH1-OE1 3.29Å; R131-E283 PolarHBondContact O-N 3.06Å; R131-V285 HydrophobicContact CB-CG1 3.96Å; R131-V285 HydrophobicContact CB-CG2 4.01Å
132I98.6Very high97.5Very high5 Ų559.5 Ų59.53%0.02631%0.314CS..EExtended strand (participates in β ladder)trans-76.1128.9172.9-54.6-55.3000109.9V130 E134 F147 I254 I255 V275 W282V130-I132 HydrophobicContact CG1-CD1 4.42Å; I132-E134 WeakPolarHBondContact CG2-O 3.32Å; I132-F147 HydrophobicContact CD1-CB 4.38Å; I132-F147 HydrophobicContact CD1-CD1 4.42Å; I132-F147 HydrophobicContact CD1-CD2 4.48Å; I132-F147 HydrophobicContact CD1-CG 4.21Å; I132-F147 HydrophobicContact CG1-CB 4.22Å; I132-F147 HydrophobicContact CG1-CD1 3.96Å; I132-F147 HydrophobicContact CG1-CG 4.13Å; I132-F147 HydrophobicContact CG2-CB 4.1Å; I132-I254 HydrophobicContact CD1-CG2 4.13Å; I132-I254 HydrophobicContact CG1-CG2 3.88Å; I132-I255 WeakPolarHBondContact CG1-O 3.49Å; I132-I255 PolarHBondContact N-O 3.33Å; I132-V275 HydrophobicContact CD1-CG1 3.71Å; I132-W282 HydrophobicContact CD1-CB 4.49Å
133K98.5Very high97.6Very high102 Ų10258.8 Ų58.844%0.44331%0.309SS..  trans-113-23.7-177.7-60.6179.271.8160.80113.4P149 A281 E283K133-P149 WeakPolarHBondContact O-CG 3.45Å; K133-A281 PolarHBondContact N-O 2.89Å; K133-E283 HydrophobicContact CD-CB 3.98Å; K133-E283 HydrophobicContact CD-CG 3.84Å; K133-E283 HydrophobicContact CG-CG 4.33Å; K133-E283 IonicContact NZ-OE2 2.76Å; K133-E283 PolarHBondContact NZ-OE2 3.28Å
134E98.3Very high97.7Very high78 Ų7860 Ų6036%0.36431%0.311SS..SBendtrans-134160.5177.8-61.7-170.9170.900111.9I132 V136 K278 A281I132-E134 WeakPolarHBondContact CG2-O 3.32Å; E134-V136 PolarHBondContact O-N 2.82Å; E134-K278 WeakPolarHBondContact OE2-CE 3.32Å; E134-K278 IonicContact OE2-NZ 4Å; E134-K278 PolarHBondContact OE2-NZ 2.84Å; E134-A281 HydrophobicContact CB-CB 4.1Å; E134-A281 PolarHBondContact N-O 3.44Å
135T98.6Very high97.9Very high68 Ų6853.1 Ų53.142%0.41728%0.275SS..  trans-72129.2172.6-580000109.7E146 F147 K148T135-E146 HydrophobicContact CG2-CG 3.91Å; T135-F147 CarbonylContact C-O 3.56Å; T135-F147 VanDerWaalsContact CA-O 3.23Å; T135-F147 WeakPolarHBondContact CA-O 3.31Å; T135-K148 HydrophobicContact CG2-CG 3.87Å
136V98.7Very high98Very high16 Ų1652.5 Ų52.510%0.09727%0.269CS..EExtended strand (participates in β ladder)trans-130.4127.2172.7-177.80000107.8E134 E146 F147 L271 A274 V275 K278 A281E134-V136 PolarHBondContact O-N 2.82Å; V136-E146 CarbonylContact O-C 3.26Å; V136-E146 VanDerWaalsContact O-CA 3.29Å; V136-E146 WeakPolarHBondContact O-CA 3.34Å; V136-F147 PolarHBondContact N-O 3.01Å; V136-F147 PolarHBondContact O-N 3.5Å; V136-L271 HydrophobicContact CB-CD1 4.45Å; V136-L271 HydrophobicContact CG1-CD1 4.12Å; V136-L271 WeakPolarHBondContact O-CD1 3.33Å; V136-A274 HydrophobicContact CG1-CB 4Å; V136-V275 HydrophobicContact CB-CG2 3.77Å; V136-V275 HydrophobicContact CG1-CG2 3.9Å; V136-V275 HydrophobicContact CG2-CG2 4.03Å; V136-K278 HydrophobicContact CG2-CD 4.5Å; V136-A281 HydrophobicContact CG2-CB 3.66Å
137R98.5Very high98.1Very high98 Ų9851.4 Ų51.437%0.3726%0.26SS..EExtended strand (participates in β ladder)trans-131.1140.5-178.1-178.6175.3171.2108.11.4109.8E139 W144 A145 E146R137-E139 HydrophobicContact CG-CG 4.36Å; R137-E139 IonicContact CZ-OE1 3.51Å; R137-E139 VanDerWaalsContact CZ-OE1 3.27Å; R137-E139 IonicContact NE-OE1 3.86Å; R137-E139 PolarHBondContact NE-OE1 3.35Å; R137-E139 IonicContact NH2-OE1 3.69Å; R137-E139 PolarHBondContact NH2-OE1 2.96Å; R137-W144 VanDerWaalsContact CZ-CD2 3.45Å; R137-W144 VanDerWaalsContact NH2-CD2 3.33Å; R137-A145 WeakPolarHBondContact CA-O 3.42Å; R137-E146 HydrophobicContact CB-CB 4.19Å; R137-E146 HydrophobicContact CB-CG 4.04Å; R137-E146 WeakPolarHBondContact CD-OE2 3.34Å; R137-E146 HydrophobicContact CG-CB 4.18Å; R137-E146 HydrophobicContact CG-CG 4.45Å
138V98.7Very high98.2Very high14 Ų1455.4 Ų55.49%0.08528%0.277CS..EExtended strand (participates in β ladder)trans-127.2147172.2-60.40000109.5W144 A145 L267 K270 L271 A274V138-W144 VanDerWaalsContact O-CA 3.28Å; V138-W144 WeakPolarHBondContact O-CA 3.05Å; V138-W144 WeakPolarHBondContact O-CB 3.19Å; V138-A145 HydrophobicContact CG2-CB 4.34Å; V138-A145 PolarHBondContact N-O 3.2Å; V138-A145 PolarHBondContact O-N 3.46Å; V138-L267 HydrophobicContact CB-CD1 4.44Å; V138-L267 HydrophobicContact CG2-CD1 3.75Å; V138-L267 HydrophobicContact CG2-CG 4.13Å; V138-K270 HydrophobicContact CB-CD 4.17Å; V138-K270 HydrophobicContact CB-CG 4.19Å; V138-K270 HydrophobicContact CG1-CG 4.17Å; V138-K270 HydrophobicContact CG2-CB 4.45Å; V138-K270 HydrophobicContact CG2-CD 4.44Å; V138-K270 HydrophobicContact CG2-CG 4.34Å; V138-L271 HydrophobicContact CG1-CD1 4.34Å; V138-L271 HydrophobicContact CG2-CB 3.66Å; V138-L271 HydrophobicContact CG2-CD1 4.23Å; V138-A274 HydrophobicContact CG1-CB 3.77Å
139E98.3Very high98.3Very high104 Ų10454.4 Ų54.449%0.48628%0.279SS..EExtended strand (participates in β ladder)trans-131.7153.9-177.3-52.9-170.6152.700110.3R137 K143 W144 K270R137-E139 HydrophobicContact CG-CG 4.36Å; R137-E139 IonicContact CZ-OE1 3.51Å; R137-E139 VanDerWaalsContact CZ-OE1 3.27Å; R137-E139 IonicContact NE-OE1 3.86Å; R137-E139 PolarHBondContact NE-OE1 3.35Å; R137-E139 IonicContact NH2-OE1 3.69Å; R137-E139 PolarHBondContact NH2-OE1 2.96Å; E139-K143 WeakPolarHBondContact CA-O 3.48Å; E139-W144 HydrophobicContact CG-CB 3.94Å; E139-K270 PolarHBondContact O-NZ 3.38Å
140D97.5Very high98.3Very high96 Ų9659.1 Ų59.151%0.51330%0.298SS..EExtended strand (participates in β ladder)trans-149.198.2170.7-17924.8000108.9D142 K143 L267D140-D142 PolarHBondContact O-N 3.38Å; D140-K143 PolarHBondContact N-O 3.11Å; D140-K143 WeakPolarHBondContact O-CB 3.3Å; D140-K143 PolarHBondContact O-N 3.15Å; D140-K143 VanDerWaalsContact O-N 3.08Å; D140-L267 HydrophobicContact CB-CD1 4.04Å
141G97.1Very high98.1Very high76 Ų7664.7 Ų64.778%0.78433%0.328SS*.THydrogen-bonded Turntrans63-120.1-17100000111.7
142D97Very high97.9Very high92 Ų9261.6 Ų61.649%0.49232%0.317SS..THydrogen-bonded Turntrans-86.6-7.7177.167.5-36.6000113.5D140 Y261 K262D140-D142 PolarHBondContact O-N 3.38Å; D142-Y261 WeakPolarHBondContact O-CD1 3.27Å; D142-K262 WeakPolarHBondContact OD2-CE 3.48Å; D142-K262 IonicContact OD2-NZ 2.67Å; D142-K262 PolarHBondContact OD2-NZ 3.34Å
143K98.4Very high97.8Very high84 Ų8461.9 Ų61.937%0.36532%0.318SS..EExtended strand (participates in β ladder)trans-90.3145.6-178.2-47.1173.5-175.2167.10110.5E139 D140 K262 L267E139-K143 WeakPolarHBondContact CA-O 3.48Å; D140-K143 PolarHBondContact N-O 3.11Å; D140-K143 WeakPolarHBondContact O-CB 3.3Å; D140-K143 PolarHBondContact O-N 3.15Å; D140-K143 VanDerWaalsContact O-N 3.08Å; K143-K262 HydrophobicContact CB-CB 4.24Å; K143-K262 HydrophobicContact CG-CB 3.83Å; K143-L267 HydrophobicContact CB-CD2 3.76Å
144W98.7Very high97.8Very high58 Ų5858.5 Ų58.522%0.2231%0.307CS..EExtended strand (participates in β ladder)trans-152.8156.3175.159.9-95.1000112.9R137 V138 E139 E146 T259 A260 Y261R137-W144 VanDerWaalsContact CZ-CD2 3.45Å; R137-W144 VanDerWaalsContact NH2-CD2 3.33Å; V138-W144 VanDerWaalsContact O-CA 3.28Å; V138-W144 WeakPolarHBondContact O-CA 3.05Å; V138-W144 WeakPolarHBondContact O-CB 3.19Å; E139-W144 HydrophobicContact CG-CB 3.94Å; W144-E146 HydrophobicContact CE3-CB 4.21Å; W144-E146 HydrophobicContact CZ3-CB 4.06Å; W144-T259 HydrophobicContact CH2-CG2 3.49Å; W144-T259 VanDerWaalsContact CH2-CG2 3.49Å; W144-T259 HydrophobicContact CZ3-CG2 3.79Å; W144-T259 WeakPolarHBondContact CZ3-O 3.24Å; W144-A260 WeakPolarHBondContact O-CA 3.36Å; W144-Y261 PolarHBondContact N-O 2.91Å; W144-Y261 VanDerWaalsContact NE1-CB 3.29Å; W144-Y261 AromaticContact NE1-CD1 3.85Å; W144-Y261 AromaticContact NE1-CG 3.82Å; W144-Y261 PolarHBondContact O-N 3.33Å
145A98.7Very high97.8Very high0 Ų054.8 Ų54.80%029%0.29CS..EExtended strand (participates in β ladder)trans-139.9143.1171.200000109.5R137 V138 F258 T259 A260 L267 L271R137-A145 WeakPolarHBondContact CA-O 3.42Å; V138-A145 HydrophobicContact CG2-CB 4.34Å; V138-A145 PolarHBondContact N-O 3.2Å; V138-A145 PolarHBondContact O-N 3.46Å; A145-F258 HydrophobicContact CB-CE2 4.15Å; A145-T259 CarbonylContact C-O 3.6Å; A145-A260 HydrophobicContact CB-CB 4.27Å; A145-L267 HydrophobicContact CB-CD2 4.32Å; A145-L267 HydrophobicContact CB-CG 4.15Å; A145-L271 HydrophobicContact CB-CB 4.32Å; A145-L271 HydrophobicContact CB-CD2 3.85Å
146E98.7Very high97.8Very high19 Ų1952.9 Ų52.99%0.08928%0.277CS..EExtended strand (participates in β ladder)trans-142.9141.5-172.3-176.9177.978.900111.8T135 V136 R137 W144 K148 F258 T259T135-E146 HydrophobicContact CG2-CG 3.91Å; V136-E146 CarbonylContact O-C 3.26Å; V136-E146 VanDerWaalsContact O-CA 3.29Å; V136-E146 WeakPolarHBondContact O-CA 3.34Å; R137-E146 HydrophobicContact CB-CB 4.19Å; R137-E146 HydrophobicContact CB-CG 4.04Å; R137-E146 WeakPolarHBondContact CD-OE2 3.34Å; R137-E146 HydrophobicContact CG-CB 4.18Å; R137-E146 HydrophobicContact CG-CG 4.45Å; W144-E146 HydrophobicContact CE3-CB 4.21Å; W144-E146 HydrophobicContact CZ3-CB 4.06Å; E146-K148 HydrophobicContact CG-CG 4.25Å; E146-K148 WeakPolarHBondContact OE1-CE 3.48Å; E146-K148 IonicContact OE1-NZ 3.88Å; E146-K148 PolarHBondContact OE1-NZ 3.18Å; E146-K148 IonicContact OE2-NZ 3.96Å; E146-F258 WeakPolarHBondContact O-CA 3.28Å; E146-T259 PolarHBondContact N-O 2.86Å; E146-T259 PolarHBondContact O-N 3.44Å
147F98.7Very high97.8Very high0 Ų052.1 Ų52.10%027%0.273CS..EExtended strand (participates in β ladder)trans-109.2142.7161.9-88.4-64.8000111I132 T135 V136 F153 L247 I254 A257 F258 L271 V275I132-F147 HydrophobicContact CD1-CB 4.38Å; I132-F147 HydrophobicContact CD1-CD1 4.42Å; I132-F147 HydrophobicContact CD1-CD2 4.48Å; I132-F147 HydrophobicContact CD1-CG 4.21Å; I132-F147 HydrophobicContact CG1-CB 4.22Å; I132-F147 HydrophobicContact CG1-CD1 3.96Å; I132-F147 HydrophobicContact CG1-CG 4.13Å; I132-F147 HydrophobicContact CG2-CB 4.1Å; T135-F147 CarbonylContact C-O 3.56Å; T135-F147 VanDerWaalsContact CA-O 3.23Å; T135-F147 WeakPolarHBondContact CA-O 3.31Å; V136-F147 PolarHBondContact N-O 3.01Å; V136-F147 PolarHBondContact O-N 3.5Å; F147-F153 HydrophobicContact CE1-CE2 4.15Å; F147-L247 HydrophobicContact CE2-CD1 4.42Å; F147-L247 HydrophobicContact CE2-CD2 3.52Å; F147-L247 HydrophobicContact CZ-CD1 3.79Å; F147-L247 HydrophobicContact CZ-CD2 3.68Å; F147-L247 HydrophobicContact CZ-CG 4.24Å; F147-I254 HydrophobicContact CD1-CG2 4.45Å; F147-I254 HydrophobicContact CE1-CG2 3.72Å; F147-I254 HydrophobicContact CE2-CD1 4.26Å; F147-I254 HydrophobicContact CZ-CD1 3.7Å; F147-I254 HydrophobicContact CZ-CG2 3.96Å; F147-A257 CarbonylContact C-O 3.54Å; F147-A257 VanDerWaalsContact CA-O 3.27Å; F147-A257 WeakPolarHBondContact CA-O 3.39Å; F147-F258 HydrophobicContact CD1-CB 4.04Å; F147-F258 HydrophobicContact CD1-CD2 4.5Å; F147-F258 HydrophobicContact CE1-CB 3.67Å; F147-F258 HydrophobicContact CE1-CD2 4.2Å; F147-F258 HydrophobicContact CE1-CG 4.35Å; F147-F258 HydrophobicContact CE2-CD2 4.35Å; F147-F258 HydrophobicContact CZ-CB 4.31Å; F147-F258 HydrophobicContact CZ-CD2 4.12Å; F147-L271 HydrophobicContact CD2-CD1 4.27Å; F147-L271 HydrophobicContact CD2-CD2 3.49Å; F147-L271 VanDerWaalsContact CD2-CD2 3.49Å; F147-L271 HydrophobicContact CD2-CG 3.77Å; F147-L271 HydrophobicContact CE2-CD2 3.81Å; F147-L271 HydrophobicContact CE2-CG 4.19Å; F147-L271 HydrophobicContact CG-CD2 4.28Å; F147-V275 HydrophobicContact CB-CG2 4.41Å; F147-V275 HydrophobicContact CD2-CG2 3.82Å
148K98.4Very high97.8Very high94 Ų9448.9 Ų48.941%0.40926%0.264SS..EExtended strand (participates in β ladder)trans-130.2156.6168.9-67.9-170.5169.3128.90111.7T135 E146 Y150 G256 A257T135-K148 HydrophobicContact CG2-CG 3.87Å; E146-K148 HydrophobicContact CG-CG 4.25Å; E146-K148 WeakPolarHBondContact OE1-CE 3.48Å; E146-K148 IonicContact OE1-NZ 3.88Å; E146-K148 PolarHBondContact OE1-NZ 3.18Å; E146-K148 IonicContact OE2-NZ 3.96Å; K148-Y150 PolarHBondContact O-N 2.9Å; K148-G256 CarbonylContact O-C 3.56Å; K148-G256 WeakPolarHBondContact O-CA 3.31Å; K148-A257 HydrophobicContact CB-CB 4.39Å; K148-A257 PolarHBondContact N-O 3.28Å; K148-A257 PolarHBondContact O-N 3.04Å
149P98.3Very high97.8Very high65 Ų6548.5 Ų48.542%0.42226%0.261SS..  trans-60.6131.8170.9-23.336.4000111.3K133K133-P149 WeakPolarHBondContact O-CG 3.45Å
150Y97.3Very high97.7Very high99 Ų9947.1 Ų47.139%0.38826%0.257SS..  trans-160.9140177.7177.2-103.4000109.8K148 G152 N176 I255 A257K148-Y150 PolarHBondContact O-N 2.9Å; Y150-G152 VanDerWaalsContact C-N 3.34Å; Y150-G152 PolarHBondContact O-N 3.39Å; Y150-G152 VanDerWaalsContact O-N 3.08Å; Y150-N176 PolarHBondContact OH-OD1 2.54Å; Y150-I255 VanDerWaalsContact O-CG2 3.3Å; Y150-I255 WeakPolarHBondContact O-CG2 3.48Å; Y150-A257 HydrophobicContact CG-CB 4.16Å
151N94Very high97.5Very high121 Ų12145.3 Ų45.365%0.64725%0.245SC*.SBendtrans-86.873.1-179.4-170.633.9000111.6
152G95Very high97.3Very high4 Ų449.8 Ų49.84%0.04125%0.251CS..SBendtrans156.6-159.9-17400000109.5Y150 I255 G256Y150-G152 VanDerWaalsContact C-N 3.34Å; Y150-G152 PolarHBondContact O-N 3.39Å; Y150-G152 VanDerWaalsContact O-N 3.08Å; G152-I255 CarbonylContact O-C 3.6Å; G152-I255 WeakPolarHBondContact O-CA 3.5Å; G152-G256 PolarHBondContact O-N 3.03Å
153F97.1Very high97.1Very high11 Ų1146.1 Ų46.15%0.04823%0.231CC..EExtended strand (participates in β ladder)trans-130100.4167.6-173.3-149.5000109.6F147 L155 F177 I254 G256 F258 A296 F297F147-F153 HydrophobicContact CE1-CE2 4.15Å; F153-L155 HydrophobicContact CD2-CD2 4.48Å; F153-L155 HydrophobicContact CE1-CD1 4.34Å; F153-L155 HydrophobicContact CE1-CD2 3.96Å; F153-L155 HydrophobicContact CE1-CG 4.34Å; F153-L155 HydrophobicContact CE2-CD2 3.78Å; F153-L155 HydrophobicContact CE2-CG 4.37Å; F153-L155 HydrophobicContact CZ-CD2 3.5Å; F153-L155 VanDerWaalsContact CZ-CD2 3.5Å; F153-L155 HydrophobicContact CZ-CG 4.24Å; F153-F177 HydrophobicContact CB-CB 3.91Å; F153-F177 HydrophobicContact CD1-CB 3.73Å; F153-F177 HydrophobicContact CD1-CD1 4.09Å; F153-F177 HydrophobicContact CD1-CD2 4.03Å; F153-F177 AromaticContact CD1-CG 3.69Å; F153-F177 HydrophobicContact CD1-CG 3.69Å; F153-F177 HydrophobicContact CE1-CD2 4.35Å; F153-F177 HydrophobicContact CE1-CG 4.46Å; F153-F177 HydrophobicContact CG-CB 4.1Å; F153-F177 VanDerWaalsContact O-CB 3.22Å; F153-F177 WeakPolarHBondContact O-CB 3.34Å; F153-F177 PolarHBondContact O-N 2.79Å; F153-I254 WeakPolarHBondContact CG-O 3.32Å; F153-G256 VanDerWaalsContact CA-O 3.28Å; F153-G256 WeakPolarHBondContact CA-O 3.19Å; F153-G256 WeakPolarHBondContact CD2-O 3.11Å; F153-F258 HydrophobicContact CE2-CB 4.11Å; F153-A296 HydrophobicContact CB-CB 4.4Å; F153-F297 HydrophobicContact CB-CE2 4.27Å; F153-F297 HydrophobicContact CB-CZ 3.74Å; F153-F297 HydrophobicContact CG-CZ 4.45Å
154S97.9Very high96.7Very high31 Ų3146.8 Ų46.822%0.21724%0.244CC..EExtended strand (participates in β ladder)trans-95.4135.5177.6-170.40000109N176 G256 A257 F258S154-N176 PolarHBondContact OG-OD1 3.38Å; S154-G256 PolarHBondContact N-O 3.07Å; S154-A257 CarbonylContact O-C 3.53Å; S154-A257 WeakPolarHBondContact O-CA 3.44Å; S154-F258 PolarHBondContact O-N 2.91Å
155L98.5Very high96.3Very high0 Ų045 Ų450%024%0.241CC..EExtended strand (participates in β ladder)trans-125.4125.1-177.5-67161.8000108.2F153 A174 M175 F177 M240 I244 F258F153-L155 HydrophobicContact CD2-CD2 4.48Å; F153-L155 HydrophobicContact CE1-CD1 4.34Å; F153-L155 HydrophobicContact CE1-CD2 3.96Å; F153-L155 HydrophobicContact CE1-CG 4.34Å; F153-L155 HydrophobicContact CE2-CD2 3.78Å; F153-L155 HydrophobicContact CE2-CG 4.37Å; F153-L155 HydrophobicContact CZ-CD2 3.5Å; F153-L155 VanDerWaalsContact CZ-CD2 3.5Å; F153-L155 HydrophobicContact CZ-CG 4.24Å; L155-A174 CarbonylContact O-C 3.49Å; L155-A174 WeakPolarHBondContact O-CA 3.06Å; L155-M175 HydrophobicContact CB-CG 4.14Å; L155-M175 HydrophobicContact CD1-CG 4.16Å; L155-M175 HydrophobicContact CD1-SD 4.47Å; L155-M175 PolarHBondContact N-O 3.02Å; L155-M175 PolarHBondContact O-N 3.07Å; L155-F177 HydrophobicContact CD1-CB 4.07Å; L155-F177 HydrophobicContact CD1-CD2 3.94Å; L155-F177 HydrophobicContact CD1-CG 4.48Å; L155-M240 HydrophobicContact CB-CE 3.75Å; L155-M240 HydrophobicContact CB-CG 4.44Å; L155-M240 HydrophobicContact CB-SD 3.75Å; L155-M240 HydrophobicContact CD1-CG 4.38Å; L155-M240 HydrophobicContact CD1-SD 4.04Å; L155-M240 HydrophobicContact CG-SD 4.46Å; L155-I244 HydrophobicContact CD1-CD1 3.78Å; L155-I244 HydrophobicContact CD1-CG1 3.96Å; L155-I244 HydrophobicContact CD2-CG1 4.19Å; L155-F258 HydrophobicContact CD2-CB 4.16Å; L155-F258 HydrophobicContact CD2-CD1 3.85Å; L155-F258 HydrophobicContact CD2-CG 4.44Å
156D98.6Very high96Very high28 Ų2845.3 Ų45.315%0.1524%0.243CC..EExtended strand (participates in β ladder)trans-136.2109.5174.2-175.7-8.3000109R172 A174 F258 T259 A260D156-R172 IonicContact OD1-CZ 3.5Å; D156-R172 IonicContact OD1-NE 3.01Å; D156-R172 PolarHBondContact OD1-NE 3.07Å; D156-R172 IonicContact OD1-NH2 3.88Å; D156-R172 IonicContact OD2-CZ 3.21Å; D156-R172 IonicContact OD2-NE 2.99Å; D156-R172 PolarHBondContact OD2-NE 3.4Å; D156-R172 IonicContact OD2-NH2 3.81Å; D156-R172 PolarHBondContact OD2-NH2 3.28Å; D156-A174 HydrophobicContact CB-CB 4.13Å; D156-F258 PolarHBondContact N-O 3.33Å; D156-T259 HydrophobicContact CB-CG2 4.01Å; D156-T259 CarbonylContact O-C 3.57Å; D156-T259 VanDerWaalsContact O-CA 3.22Å; D156-T259 WeakPolarHBondContact O-CA 3.36Å; D156-A260 PolarHBondContact O-N 3Å
157F98.5Very high95.4Very high1 Ų148.4 Ų48.40%0.00426%0.26CS..EExtended strand (participates in β ladder)trans-120131.9-174.6-150.9-73.2000109.8I159 R172 Y173 V236 K239 M240 A243 F258 A260 S263F157-I159 HydrophobicContact CD1-CG2 4.07Å; F157-I159 HydrophobicContact CE1-CG2 3.92Å; F157-R172 WeakPolarHBondContact O-CA 3.42Å; F157-Y173 PolarHBondContact N-O 3.41Å; F157-Y173 PolarHBondContact O-N 3.2Å; F157-V236 HydrophobicContact CB-CG2 4.23Å; F157-V236 HydrophobicContact CD1-CG2 4.26Å; F157-V236 VanDerWaalsContact O-CG2 3.26Å; F157-V236 WeakPolarHBondContact O-CG2 3.35Å; F157-K239 HydrophobicContact CD1-CB 4.08Å; F157-K239 HydrophobicContact CE1-CB 3.67Å; F157-K239 HydrophobicContact CZ-CB 4.02Å; F157-M240 HydrophobicContact CB-CB 4.24Å; F157-M240 HydrophobicContact CB-CE 3.75Å; F157-A243 HydrophobicContact CD2-CB 4.13Å; F157-A243 HydrophobicContact CE2-CB 3.73Å; F157-F258 AromaticContact CD2-CE1 3.81Å; F157-F258 HydrophobicContact CD2-CE1 3.81Å; F157-F258 HydrophobicContact CD2-CZ 4.46Å; F157-F258 HydrophobicContact CE2-CE1 4.02Å; F157-F258 HydrophobicContact CE2-CZ 4.25Å; F157-A260 HydrophobicContact CD2-CB 3.77Å; F157-A260 HydrophobicContact CE2-CB 3.61Å; F157-A260 HydrophobicContact CG-CB 4.36Å; F157-A260 HydrophobicContact CZ-CB 4.1Å; F157-S263 WeakPolarHBondContact CZ-O 3.45Å
158T98.5Very high94.8Very high30 Ų3053.4 Ų53.418%0.18430%0.295CS..EExtended strand (participates in β ladder)trans-123.6127.1173.4-57.30000109.9Q171 R172 A260 Y261 K262T158-Q171 CarbonylContact C-O 3.33Å; T158-Q171 VanDerWaalsContact CA-O 3.26Å; T158-Q171 WeakPolarHBondContact CA-O 3.15Å; T158-R172 HydrophobicContact CG2-CB 4.34Å; T158-R172 WeakPolarHBondContact OG1-CG 3.27Å; T158-A260 PolarHBondContact N-O 2.95Å; T158-Y261 HydrophobicContact CG2-CD2 3.58Å; T158-Y261 HydrophobicContact CG2-CE2 3.77Å; T158-Y261 CarbonylContact O-C 3.49Å; T158-Y261 WeakPolarHBondContact O-CA 3.27Å; T158-K262 PolarHBondContact O-N 3.35Å
159I97.7Very high94.3Very high6 Ų653 Ų533%0.03130%0.304CS..  trans-98.1166.7166.862.3-178.2000109.4F157 F161 I166 Q171 F235 V236 K239F157-I159 HydrophobicContact CD1-CG2 4.07Å; F157-I159 HydrophobicContact CE1-CG2 3.92Å; I159-F161 HydrophobicContact CB-CD2 3.9Å; I159-F161 HydrophobicContact CB-CE2 3.81Å; I159-F161 HydrophobicContact CD1-CD2 3.76Å; I159-F161 HydrophobicContact CD1-CE2 3.89Å; I159-F161 HydrophobicContact CG1-CD2 4.01Å; I159-F161 HydrophobicContact CG1-CE2 4.25Å; I159-F161 HydrophobicContact CG2-CE2 4.16Å; I159-I166 HydrophobicContact CD1-CG2 4.4Å; I159-Q171 HydrophobicContact CG1-CB 3.68Å; I159-Q171 HydrophobicContact CG1-CG 4.09Å; I159-Q171 WeakPolarHBondContact CG1-O 3.15Å; I159-Q171 PolarHBondContact N-O 2.91Å; I159-Q171 WeakPolarHBondContact O-CB 3.19Å; I159-Q171 PolarHBondContact O-OE1 3.38Å; I159-F235 HydrophobicContact CD1-CB 3.65Å; I159-V236 HydrophobicContact CD1-CB 3.75Å; I159-V236 HydrophobicContact CG1-CB 3.97Å; I159-V236 HydrophobicContact CG1-CG2 4.37Å; I159-V236 HydrophobicContact CG2-CB 4.41Å; I159-V236 HydrophobicContact CG2-CG2 4.32Å; I159-K239 HydrophobicContact CG2-CB 3.95Å; I159-K239 HydrophobicContact CG2-CG 3.84Å
160D96.3Very high94Very high75 Ų7552 Ų5240%0.40130%0.296SS..  trans-149.782.1177.5174.839.5000108.4Y261 K262D160-Y261 HydrophobicContact CB-CE2 4.32Å; D160-Y261 PolarHBondContact OD2-OH 3.46Å; D160-K262 HydrophobicContact CB-CD 3.64Å; D160-K262 HydrophobicContact CB-CG 3.64Å; D160-K262 IonicContact OD2-NZ 3.85Å; D160-K262 PolarHBondContact OD2-NZ 3.43Å
161F93.8Very high94Very high57 Ų5748.1 Ų48.125%0.2528%0.281CS..  trans-101.7117.6172.3-67.5-84.1000108.9I159 H163 I166 Q171 F192 F194I159-F161 HydrophobicContact CB-CD2 3.9Å; I159-F161 HydrophobicContact CB-CE2 3.81Å; I159-F161 HydrophobicContact CD1-CD2 3.76Å; I159-F161 HydrophobicContact CD1-CE2 3.89Å; I159-F161 HydrophobicContact CG1-CD2 4.01Å; I159-F161 HydrophobicContact CG1-CE2 4.25Å; I159-F161 HydrophobicContact CG2-CE2 4.16Å; F161-H163 HydrophobicContact CB-CB 4.36Å; F161-H163 PolarHBondContact O-N 3.32Å; F161-I166 HydrophobicContact CB-CB 4.3Å; F161-I166 HydrophobicContact CB-CD1 3.6Å; F161-I166 HydrophobicContact CB-CG1 4.49Å; F161-I166 HydrophobicContact CB-CG2 4.27Å; F161-I166 HydrophobicContact CD1-CD1 4.24Å; F161-I166 HydrophobicContact CD2-CD1 3.93Å; F161-I166 HydrophobicContact CG-CD1 3.67Å; F161-Q171 PolarHBondContact O-NE2 3.26Å; F161-F192 HydrophobicContact CE1-CE2 4.3Å; F161-F192 HydrophobicContact CE2-CE2 4.26Å; F161-F192 AromaticContact CE2-CZ 3.92Å; F161-F192 HydrophobicContact CE2-CZ 3.92Å; F161-F192 AromaticContact CZ-CE2 3.81Å; F161-F192 HydrophobicContact CZ-CE2 3.81Å; F161-F192 AromaticContact CZ-CZ 3.72Å; F161-F192 HydrophobicContact CZ-CZ 3.72Å; F161-F194 HydrophobicContact CD1-CE2 4.26Å; F161-F194 AromaticContact CD1-CZ 3.78Å; F161-F194 HydrophobicContact CD1-CZ 3.78Å; F161-F194 AromaticContact CE1-CE2 3.97Å; F161-F194 HydrophobicContact CE1-CE2 3.97Å; F161-F194 AromaticContact CE1-CZ 3.92Å; F161-F194 HydrophobicContact CE1-CZ 3.92Å
162N92.5Very high94.2Very high171 Ų17149.5 Ų49.591%0.91428%0.277SS*.  trans-79.576.8167.1-175.824.4000109.3
163H92.5Very high94.3Very high14 Ų1450.3 Ų50.37%0.06528%0.279CS..  trans-142.6129.8-174.5-163-80.1000111.5F161 A165 I166 F194 V218 D219 D220F161-H163 HydrophobicContact CB-CB 4.36Å; F161-H163 PolarHBondContact O-N 3.32Å; H163-A165 WeakPolarHBondContact ND1-CB 3.42Å; H163-A165 PolarHBondContact ND1-N 2.94Å; H163-A165 VanDerWaalsContact ND1-N 3.18Å; H163-A165 PolarHBondContact O-N 3.41Å; H163-A165 VanDerWaalsContact O-N 3.14Å; H163-I166 HydrophobicContact CB-CB 4.38Å; H163-I166 HydrophobicContact CB-CD1 4.24Å; H163-I166 HydrophobicContact CB-CG1 4.23Å; H163-I166 PolarHBondContact O-N 2.98Å; H163-F194 AromaticContact CD2-CE1 3.79Å; H163-F194 AromaticContact CG-CE1 3.99Å; H163-V218 WeakPolarHBondContact CE1-CG1 3.23Å; H163-D219 PolarHBondContact CE1-O 2.93Å; H163-D219 PolarHBondContact NE2-O 3.34Å; H163-D220 VanDerWaalsContact CE1-C 3.49Å
164P91.2Very high94.4Very high98 Ų9852.2 Ų52.264%0.63630%0.297SS*.THydrogen-bonded Turntrans-57.2-33-176.7-25.934.2000114.6I166 D220P164-I166 VanDerWaalsContact C-N 3.27Å; P164-I166 PolarHBondContact O-N 3.01Å; P164-D220 WeakPolarHBondContact CD-O 3.38Å
165A90.9Very high94.3Very high21 Ų2151.5 Ų51.517%0.17429%0.29CS..THydrogen-bonded Turntrans-73.4-12.317700000114.9H163 V218 Y221H163-A165 WeakPolarHBondContact ND1-CB 3.42Å; H163-A165 PolarHBondContact ND1-N 2.94Å; H163-A165 VanDerWaalsContact ND1-N 3.18Å; H163-A165 PolarHBondContact O-N 3.41Å; H163-A165 VanDerWaalsContact O-N 3.14Å; A165-V218 HydrophobicContact CB-CG1 3.53Å; A165-Y221 PolarHBondContact N-O 2.82Å
166I91.3Very high94.2Very high6 Ų656.2 Ų56.23%0.03132%0.315CS..SBendtrans-116.394.9-176.4-54.4178.9000107.8I159 F161 H163 P164 S168 Q171 F194 F235I159-I166 HydrophobicContact CD1-CG2 4.4Å; F161-I166 HydrophobicContact CB-CB 4.3Å; F161-I166 HydrophobicContact CB-CD1 3.6Å; F161-I166 HydrophobicContact CB-CG1 4.49Å; F161-I166 HydrophobicContact CB-CG2 4.27Å; F161-I166 HydrophobicContact CD1-CD1 4.24Å; F161-I166 HydrophobicContact CD2-CD1 3.93Å; F161-I166 HydrophobicContact CG-CD1 3.67Å; H163-I166 HydrophobicContact CB-CB 4.38Å; H163-I166 HydrophobicContact CB-CD1 4.24Å; H163-I166 HydrophobicContact CB-CG1 4.23Å; H163-I166 PolarHBondContact O-N 2.98Å; P164-I166 VanDerWaalsContact C-N 3.27Å; P164-I166 PolarHBondContact O-N 3.01Å; I166-S168 PolarHBondContact O-N 2.74Å; I166-Q171 HydrophobicContact CG2-CG 4.03Å; I166-Q171 PolarHBondContact O-NE2 2.93Å; I166-F194 HydrophobicContact CD1-CE1 4.25Å; I166-F194 HydrophobicContact CD1-CZ 4.07Å; I166-F235 HydrophobicContact CB-CD2 4.46Å; I166-F235 HydrophobicContact CD1-CD1 4.21Å; I166-F235 HydrophobicContact CD1-CD2 4.39Å; I166-F235 HydrophobicContact CD1-CE1 4.33Å; I166-F235 HydrophobicContact CD1-CE2 4.5Å; I166-F235 HydrophobicContact CD1-CG 4.25Å; I166-F235 HydrophobicContact CD1-CZ 4.47Å; I166-F235 HydrophobicContact CG1-CD1 4.49Å; I166-F235 HydrophobicContact CG1-CD2 3.91Å; I166-F235 HydrophobicContact CG1-CE1 4.39Å; I166-F235 HydrophobicContact CG1-CE2 3.78Å; I166-F235 HydrophobicContact CG1-CG 4.27Å; I166-F235 HydrophobicContact CG1-CZ 4.04Å; I166-F235 HydrophobicContact CG2-CD2 4.09Å; I166-F235 HydrophobicContact CG2-CG 4.49Å
167D86.7Confident94.1Very high85 Ų8555.1 Ų55.146%0.45531%0.309SS..  trans-56.1125.1-177.8-169.3-36000110.9S169 N170 Q171D167-S169 PolarHBondContact O-N 2.84Å; D167-S169 VanDerWaalsContact O-N 3.12Å; D167-S169 WeakPolarHBondContact OD1-CB 3.47Å; D167-S169 PolarHBondContact OD1-N 3.38Å; D167-S169 PolarHBondContact OD1-OG 2.95Å; D167-S169 PolarHBondContact OD2-OG 3.4Å; D167-N170 HydrophobicContact CB-CB 4.31Å; D167-N170 PolarHBondContact O-N 3.29Å; D167-Q171 WeakPolarHBondContact O-CG 3.45Å
168S85.1Confident93.8Very high105 Ų10556.7 Ų56.773%0.73432%0.32SS*.G310 helixtrans-52.7-28.7176.560.80000114.3I166 N170I166-S168 PolarHBondContact O-N 2.74Å; S168-N170 VanDerWaalsContact C-N 3.34Å
169S88.7Confident93.5Very high86 Ų8655.6 Ų55.660%0.60131%0.314SS*.G310 helixtrans-77.4-18.8177.764.60000113.6D167D167-S169 PolarHBondContact O-N 2.84Å; D167-S169 VanDerWaalsContact O-N 3.12Å; D167-S169 WeakPolarHBondContact OD1-CB 3.47Å; D167-S169 PolarHBondContact OD1-N 3.38Å; D167-S169 PolarHBondContact OD1-OG 2.95Å; D167-S169 PolarHBondContact OD2-OG 3.4Å
170N91.8Very high93.3Very high44 Ų4458.2 Ų58.224%0.23533%0.328CS..G310 helixtrans-106.723.4-176.4-71-14.2000113.1D167 S168 E232 D233 V236D167-N170 HydrophobicContact CB-CB 4.31Å; D167-N170 PolarHBondContact O-N 3.29Å; S168-N170 VanDerWaalsContact C-N 3.34Å; N170-E232 PolarHBondContact ND2-O 3.26Å; N170-E232 VanDerWaalsContact ND2-O 3.07Å; N170-D233 HydrophobicContact CB-CB 3.98Å; N170-V236 WeakPolarHBondContact O-CG1 3.16Å
171Q97Very high93.3Very high17 Ų1755 Ų558%0.07931%0.312CS..SBendtrans-99.20.6-177.2-57.4-152.738.100114.2T158 I159 F161 I166 D167T158-Q171 CarbonylContact C-O 3.33Å; T158-Q171 VanDerWaalsContact CA-O 3.26Å; T158-Q171 WeakPolarHBondContact CA-O 3.15Å; I159-Q171 HydrophobicContact CG1-CB 3.68Å; I159-Q171 HydrophobicContact CG1-CG 4.09Å; I159-Q171 WeakPolarHBondContact CG1-O 3.15Å; I159-Q171 PolarHBondContact N-O 2.91Å; I159-Q171 WeakPolarHBondContact O-CB 3.19Å; I159-Q171 PolarHBondContact O-OE1 3.38Å; F161-Q171 PolarHBondContact O-NE2 3.26Å; I166-Q171 HydrophobicContact CG2-CG 4.03Å; I166-Q171 PolarHBondContact O-NE2 2.93Å; D167-Q171 WeakPolarHBondContact O-CG 3.45Å
172R98Very high93.5Very high150 Ų15052.2 Ų52.257%0.56630%0.3SS*.EExtended strand (participates in β ladder)trans-124131.4171.9177.4171.5173.8-107.84.4110.3D156 F157 T158D156-R172 IonicContact OD1-CZ 3.5Å; D156-R172 IonicContact OD1-NE 3.01Å; D156-R172 PolarHBondContact OD1-NE 3.07Å; D156-R172 IonicContact OD1-NH2 3.88Å; D156-R172 IonicContact OD2-CZ 3.21Å; D156-R172 IonicContact OD2-NE 2.99Å; D156-R172 PolarHBondContact OD2-NE 3.4Å; D156-R172 IonicContact OD2-NH2 3.81Å; D156-R172 PolarHBondContact OD2-NH2 3.28Å; F157-R172 WeakPolarHBondContact O-CA 3.42Å; T158-R172 HydrophobicContact CG2-CB 4.34Å; T158-R172 WeakPolarHBondContact OG1-CG 3.27Å
173Y98.3Very high93.6Very high21 Ų2145.8 Ų45.88%0.08227%0.265CS..EExtended strand (participates in β ladder)trans-132.8133.3173.2-172.9-100.8000110.1F157 M175 Q185 I186 D233 R237 M240F157-Y173 PolarHBondContact N-O 3.41Å; F157-Y173 PolarHBondContact O-N 3.2Å; Y173-M175 HydrophobicContact CE1-CB 4.01Å; Y173-M175 HydrophobicContact CE1-CG 3.95Å; Y173-M175 HydrophobicContact CE1-SD 3.82Å; Y173-Q185 WeakPolarHBondContact OH-CB 3.27Å; Y173-Q185 PolarHBondContact OH-OE1 2.89Å; Y173-I186 HydrophobicContact CD1-CD1 4.04Å; Y173-I186 HydrophobicContact CE1-CD1 3.6Å; Y173-D233 WeakPolarHBondContact CD2-OD2 3.29Å; Y173-R237 HydrophobicContact CD1-CG 4.1Å; Y173-R237 HydrophobicContact CD2-CG 4.17Å; Y173-R237 HydrophobicContact CE1-CG 4.32Å; Y173-R237 HydrophobicContact CE2-CG 4.38Å; Y173-R237 HydrophobicContact CG-CG 4.02Å; Y173-M240 HydrophobicContact CD1-CE 3.65Å; Y173-M240 HydrophobicContact CD1-SD 3.73Å; Y173-M240 HydrophobicContact CE1-CE 4.45Å; Y173-M240 HydrophobicContact CE1-SD 4.07Å; Y173-M240 WeakPolarHBondContact O-CE 3.26Å
174A98.2Very high93.8Very high51 Ų5153 Ų5342%0.42129%0.292SS..EExtended strand (participates in β ladder)trans-132.8137.6179.100000110.6L155 D156L155-A174 CarbonylContact O-C 3.49Å; L155-A174 WeakPolarHBondContact O-CA 3.06Å; D156-A174 HydrophobicContact CB-CB 4.13Å
175M96.6Very high94.1Very high16 Ų1651.9 Ų51.98%0.07928%0.278CS..EExtended strand (participates in β ladder)trans-149.3154.217763.7176.1-86.300112L155 Y173 F177 A181 I186 M240L155-M175 HydrophobicContact CB-CG 4.14Å; L155-M175 HydrophobicContact CD1-CG 4.16Å; L155-M175 HydrophobicContact CD1-SD 4.47Å; L155-M175 PolarHBondContact N-O 3.02Å; L155-M175 PolarHBondContact O-N 3.07Å; Y173-M175 HydrophobicContact CE1-CB 4.01Å; Y173-M175 HydrophobicContact CE1-CG 3.95Å; Y173-M175 HydrophobicContact CE1-SD 3.82Å; M175-F177 HydrophobicContact CE-CB 4.49Å; M175-F177 HydrophobicContact CE-CD2 4.46Å; M175-A181 HydrophobicContact CE-CB 3.67Å; M175-I186 HydrophobicContact CE-CG1 4.33Å; M175-I186 HydrophobicContact SD-CD1 3.84Å; M175-I186 HydrophobicContact SD-CG1 3.42Å; M175-I186 WeakPolarHBondContact SD-CG1 3.16Å; M175-M240 HydrophobicContact CG-SD 3.77Å; M175-M240 HydrophobicContact SD-SD 3.91Å
176N95.7Very high94.4Very high98 Ų9850.9 Ų50.952%0.52427%0.269SS..EExtended strand (participates in β ladder)trans-87.8121.5158.9-69-48.1000107.6Y150 S154Y150-N176 PolarHBondContact OH-OD1 2.54Å; S154-N176 PolarHBondContact OG-OD1 3.38Å
177F95.7Very high94.8Very high6 Ų650.8 Ų50.83%0.02627%0.269CS..  trans-60.8140.4-179.3-176.5-90.1000110.8F153 L155 M175 F182 I244 A296 F297F153-F177 HydrophobicContact CB-CB 3.91Å; F153-F177 HydrophobicContact CD1-CB 3.73Å; F153-F177 HydrophobicContact CD1-CD1 4.09Å; F153-F177 HydrophobicContact CD1-CD2 4.03Å; F153-F177 AromaticContact CD1-CG 3.69Å; F153-F177 HydrophobicContact CD1-CG 3.69Å; F153-F177 HydrophobicContact CE1-CD2 4.35Å; F153-F177 HydrophobicContact CE1-CG 4.46Å; F153-F177 HydrophobicContact CG-CB 4.1Å; F153-F177 VanDerWaalsContact O-CB 3.22Å; F153-F177 WeakPolarHBondContact O-CB 3.34Å; F153-F177 PolarHBondContact O-N 2.79Å; L155-F177 HydrophobicContact CD1-CB 4.07Å; L155-F177 HydrophobicContact CD1-CD2 3.94Å; L155-F177 HydrophobicContact CD1-CG 4.48Å; M175-F177 HydrophobicContact CE-CB 4.49Å; M175-F177 HydrophobicContact CE-CD2 4.46Å; F177-F182 HydrophobicContact CD2-CB 4.45Å; F177-F182 HydrophobicContact CE2-CB 3.94Å; F177-F182 HydrophobicContact CE2-CD2 4.13Å; F177-F182 HydrophobicContact CE2-CG 4.2Å; F177-F182 HydrophobicContact CZ-CB 4.42Å; F177-I244 HydrophobicContact CD2-CD1 4.42Å; F177-I244 HydrophobicContact CE2-CD1 4.39Å; F177-I244 HydrophobicContact CE2-CG2 4.37Å; F177-A296 HydrophobicContact CD1-CB 4.35Å; F177-A296 WeakPolarHBondContact O-CA 3.45Å; F177-A296 WeakPolarHBondContact O-CB 3.32Å; F177-F297 HydrophobicContact CD1-CE1 4.16Å; F177-F297 HydrophobicContact CE1-CD1 4.41Å; F177-F297 HydrophobicContact CE1-CE1 4.08Å
178S93.9Very high95.3Very high34 Ų3453 Ų5324%0.23827%0.271CS..  trans-154.1160.816073.60000107.7D180 A181 F182 A296S178-D180 VanDerWaalsContact C-N 3.27Å; S178-D180 PolarHBondContact O-N 2.85Å; S178-A181 PolarHBondContact O-N 3.32Å; S178-A181 VanDerWaalsContact OG-CB 3.26Å; S178-A181 WeakPolarHBondContact OG-CB 3.16Å; S178-A181 PolarHBondContact OG-N 3.11Å; S178-F182 WeakPolarHBondContact O-CB 3.39Å; S178-F182 PolarHBondContact O-N 3.31Å; S178-A296 WeakPolarHBondContact CA-O 3.38Å
179A92.1Very high96Very high7 Ų748 Ų486%0.05824%0.236CC..Hα-helixtrans-56.3-43.5176.300000111.7G86 M183 P300G86-A179 WeakPolarHBondContact O-CA 3.2Å; G86-A179 WeakPolarHBondContact O-CB 3.37Å; A179-M183 WeakPolarHBondContact O-CE 3.39Å; A179-M183 VanDerWaalsContact O-CG 3.3Å; A179-M183 WeakPolarHBondContact O-CG 3.39Å; A179-M183 PolarHBondContact O-N 3.11Å; A179-P300 HydrophobicContact CB-CB 4.06Å; A179-P300 HydrophobicContact CB-CG 3.89Å
180D93.2Very high96.4Very high60 Ų6044.5 Ų44.532%0.32121%0.21SC..Hα-helixtrans-65.4-45.5177.4-178.177000112.2S178 F182 M183 R184S178-D180 VanDerWaalsContact C-N 3.27Å; S178-D180 PolarHBondContact O-N 2.85Å; D180-F182 PolarHBondContact O-N 3.4Å; D180-M183 PolarHBondContact O-N 3.06Å; D180-R184 VanDerWaalsContact CG-NE 3.31Å; D180-R184 WeakPolarHBondContact O-CB 3.34Å; D180-R184 WeakPolarHBondContact O-CG 3.34Å; D180-R184 PolarHBondContact O-N 2.95Å; D180-R184 IonicContact OD1-CZ 3.48Å; D180-R184 IonicContact OD1-NE 2.8Å; D180-R184 PolarHBondContact OD1-NE 3.18Å; D180-R184 IonicContact OD1-NH2 3.29Å; D180-R184 PolarHBondContact OD1-NH2 3.15Å; D180-R184 WeakPolarHBondContact OD2-CD 3.26Å; D180-R184 IonicContact OD2-CZ 3.93Å; D180-R184 IonicContact OD2-NE 3.14Å; D180-R184 PolarHBondContact OD2-NE 2.91Å; D180-R184 VanDerWaalsContact OD2-NE 3.14Å
181A95.6Very high96.7Very high7 Ų743.3 Ų43.36%0.05821%0.205CC..Hα-helixtrans-63.5-43177.800000111.6M175 S178 R184 Q185M175-A181 HydrophobicContact CE-CB 3.67Å; S178-A181 PolarHBondContact O-N 3.32Å; S178-A181 VanDerWaalsContact OG-CB 3.26Å; S178-A181 WeakPolarHBondContact OG-CB 3.16Å; S178-A181 PolarHBondContact OG-N 3.11Å; A181-R184 PolarHBondContact O-N 2.73Å; A181-Q185 WeakPolarHBondContact O-CA 3.43Å; A181-Q185 WeakPolarHBondContact O-CB 3.4Å; A181-Q185 WeakPolarHBondContact O-CG 3.12Å; A181-Q185 PolarHBondContact O-N 3.05Å
182F97.5Very high96.8Very high0 Ų043.9 Ų43.90%021%0.207CC..Iπ-helixtrans-58.7-51.1175.4172-98.9000111.1A82 A108 V112 F177 S178 D180 R184 I186 S187 I244A82-F182 VanDerWaalsContact C-CZ 3.49Å; A82-F182 HydrophobicContact CB-CE2 4.16Å; A82-F182 HydrophobicContact CB-CZ 4.1Å; A82-F182 WeakPolarHBondContact O-CZ 3.48Å; A108-F182 HydrophobicContact CB-CZ 4.08Å; V112-F182 HydrophobicContact CG2-CE1 3.86Å; F177-F182 HydrophobicContact CD2-CB 4.45Å; F177-F182 HydrophobicContact CE2-CB 3.94Å; F177-F182 HydrophobicContact CE2-CD2 4.13Å; F177-F182 HydrophobicContact CE2-CG 4.2Å; F177-F182 HydrophobicContact CZ-CB 4.42Å; S178-F182 WeakPolarHBondContact O-CB 3.39Å; S178-F182 PolarHBondContact O-N 3.31Å; D180-F182 PolarHBondContact O-N 3.4Å; F182-R184 PolarHBondContact O-N 2.76Å; F182-I186 HydrophobicContact CD2-CB 3.92Å; F182-I186 HydrophobicContact CD2-CG2 3.9Å; F182-I186 HydrophobicContact CE2-CB 4.27Å; F182-I186 HydrophobicContact CE2-CG2 3.81Å; F182-I186 PolarHBondContact O-N 3.39Å; F182-S187 PolarHBondContact O-N 2.84Å; F182-I244 HydrophobicContact CD2-CD1 4.01Å; F182-I244 HydrophobicContact CE2-CD1 4.21Å
183M95.9Very high96.7Very high36 Ų3637.9 Ų37.918%0.17719%0.191CC..Iπ-helixtrans-60.6-45.7-178.9-72.8-174-66.600112L87 V112 L116 A179 D180 S187 P300L87-M183 HydrophobicContact CD2-CG 4.49Å; L87-M183 HydrophobicContact CD2-SD 3.94Å; V112-M183 HydrophobicContact CG1-CG 4.03Å; V112-M183 HydrophobicContact CG1-SD 4.02Å; L116-M183 HydrophobicContact CD1-SD 4.23Å; A179-M183 WeakPolarHBondContact O-CE 3.39Å; A179-M183 VanDerWaalsContact O-CG 3.3Å; A179-M183 WeakPolarHBondContact O-CG 3.39Å; A179-M183 PolarHBondContact O-N 3.11Å; D180-M183 PolarHBondContact O-N 3.06Å; M183-S187 PolarHBondContact O-OG 2.8Å; M183-P300 HydrophobicContact CE-CB 3.93Å; M183-P300 HydrophobicContact CE-CG 4.34Å
184R96.1Very high96.5Very high166 Ų16638 Ų3863%0.62619%0.193SC*.Iπ-helixtrans-76.2-38.4-175.8-68.4179.6-172.7-123.30.9113.6D180 A181 F182D180-R184 VanDerWaalsContact CG-NE 3.31Å; D180-R184 WeakPolarHBondContact O-CB 3.34Å; D180-R184 WeakPolarHBondContact O-CG 3.34Å; D180-R184 PolarHBondContact O-N 2.95Å; D180-R184 IonicContact OD1-CZ 3.48Å; D180-R184 IonicContact OD1-NE 2.8Å; D180-R184 PolarHBondContact OD1-NE 3.18Å; D180-R184 IonicContact OD1-NH2 3.29Å; D180-R184 PolarHBondContact OD1-NH2 3.15Å; D180-R184 WeakPolarHBondContact OD2-CD 3.26Å; D180-R184 IonicContact OD2-CZ 3.93Å; D180-R184 IonicContact OD2-NE 3.14Å; D180-R184 PolarHBondContact OD2-NE 2.91Å; D180-R184 VanDerWaalsContact OD2-NE 3.14Å; A181-R184 PolarHBondContact O-N 2.73Å; F182-R184 PolarHBondContact O-N 2.76Å
185Q97.6Very high96.3Very high73 Ų7340 Ų4034%0.34119%0.194SC..Iπ-helixtrans-109.5-25.4-163.2-51.6-178.553.800113.3Y173 A181 R237Y173-Q185 WeakPolarHBondContact OH-CB 3.27Å; Y173-Q185 PolarHBondContact OH-OE1 2.89Å; A181-Q185 WeakPolarHBondContact O-CA 3.43Å; A181-Q185 WeakPolarHBondContact O-CB 3.4Å; A181-Q185 WeakPolarHBondContact O-CG 3.12Å; A181-Q185 PolarHBondContact O-N 3.05Å; Q185-R237 WeakPolarHBondContact O-CD 3.35Å; Q185-R237 PolarHBondContact O-NH1 2.95Å
186I98.5Very high96.2Very high0 Ų045.5 Ų45.50%021%0.214CC..Iπ-helixtrans-116.9-46.9-174.7-62.2-59.3000112.2Y173 M175 F182 R188 A189 R237 M240 L241 I244Y173-I186 HydrophobicContact CD1-CD1 4.04Å; Y173-I186 HydrophobicContact CE1-CD1 3.6Å; M175-I186 HydrophobicContact CE-CG1 4.33Å; M175-I186 HydrophobicContact SD-CD1 3.84Å; M175-I186 HydrophobicContact SD-CG1 3.42Å; M175-I186 WeakPolarHBondContact SD-CG1 3.16Å; F182-I186 HydrophobicContact CD2-CB 3.92Å; F182-I186 HydrophobicContact CD2-CG2 3.9Å; F182-I186 HydrophobicContact CE2-CB 4.27Å; F182-I186 HydrophobicContact CE2-CG2 3.81Å; F182-I186 PolarHBondContact O-N 3.39Å; I186-R188 PolarHBondContact O-N 2.85Å; I186-A189 VanDerWaalsContact O-CB 3.31Å; I186-A189 WeakPolarHBondContact O-CB 3.26Å; I186-A189 PolarHBondContact O-N 3.27Å; I186-R237 HydrophobicContact CD1-CB 4.04Å; I186-R237 HydrophobicContact CD1-CG 4.08Å; I186-M240 HydrophobicContact CD1-CB 4.38Å; I186-M240 HydrophobicContact CD1-CG 4.3Å; I186-M240 HydrophobicContact CD1-SD 3.8Å; I186-M240 HydrophobicContact CG1-SD 4.43Å; I186-L241 HydrophobicContact CG2-CB 3.62Å; I186-L241 HydrophobicContact CG2-CD1 4.22Å; I186-L241 HydrophobicContact CG2-CG 4.13Å; I186-I244 HydrophobicContact CG2-CD1 4.2Å
187S98.4Very high96.1Very high5 Ų543.9 Ų43.94%0.03521%0.206CC..THydrogen-bonded Turntrans-58.3-25.6-164.276.70000114.9S107 A108 A109 F182 M183S107-S187 VanDerWaalsContact CB-O 3.25Å; S107-S187 WeakPolarHBondContact CB-O 3.37Å; S107-S187 PolarHBondContact OG-O 2.83Å; A108-S187 CarbonylContact C-O 3.57Å; A108-S187 WeakPolarHBondContact CA-O 3.27Å; A108-S187 PolarHBondContact N-O 3.42Å; A109-S187 PolarHBondContact N-O 2.95Å; F182-S187 PolarHBondContact O-N 2.84Å; M183-S187 PolarHBondContact O-OG 2.8Å
188R98.4Very high96Very high130 Ų13045.4 Ų45.449%0.49121%0.214SC..THydrogen-bonded Turntrans-89.1-5.7-179.3-60.8177.666.3-160.6-0.6114.1A109 I186 R190 R230 F231A109-R188 HydrophobicContact CB-CG 3.96Å; I186-R188 PolarHBondContact O-N 2.85Å; R188-R190 PolarHBondContact O-N 2.73Å; R188-R230 WeakPolarHBondContact O-CD 3.43Å; R188-R230 PolarHBondContact O-NH1 2.89Å; R188-F231 HydrophobicContact CB-CE2 3.91Å; R188-F231 HydrophobicContact CB-CZ 3.98Å
189A98.6Very high95.9Very high0 Ų051 Ų510%024%0.236CC..PPolyproline II helixtrans-72.1118-178.800000109.8S107 I186 F231 E234 R237 H238S107-A189 WeakPolarHBondContact CB-O 3.2Å; I186-A189 VanDerWaalsContact O-CB 3.31Å; I186-A189 WeakPolarHBondContact O-CB 3.26Å; I186-A189 PolarHBondContact O-N 3.27Å; A189-F231 HydrophobicContact CB-CD2 4.3Å; A189-F231 HydrophobicContact CB-CE2 4.22Å; A189-E234 HydrophobicContact CB-CG 4.05Å; A189-R237 HydrophobicContact CB-CB 3.77Å; A189-H238 HydrophobicContact CB-CB 4.09Å
190R98.4Very high96.1Very high13 Ų1356.2 Ų56.25%0.04926%0.255CS..PPolyproline II helixtrans-82.2152.8-175.5-64.2168.9-73.6179.44111.7D105 G106 R188 I216 G228 R230 E234 H238D105-R190 WeakPolarHBondContact O-CG 3.39Å; G106-R190 CarbonylContact O-C 3.36Å; G106-R190 WeakPolarHBondContact O-CA 3.34Å; R188-R190 PolarHBondContact O-N 2.73Å; R190-I216 HydrophobicContact CB-CD1 4.22Å; R190-I216 HydrophobicContact CB-CG1 4.04Å; R190-G228 PolarHBondContact NH2-O 2.8Å; R190-R230 VanDerWaalsContact CD-CZ 3.43Å; R190-E234 IonicContact CZ-OE1 3.53Å; R190-E234 IonicContact CZ-OE2 2.79Å; R190-E234 PolarHBondContact N-OE1 3.48Å; R190-E234 IonicContact NE-OE1 2.73Å; R190-E234 PolarHBondContact NE-OE1 2.76Å; R190-E234 IonicContact NE-OE2 3.74Å; R190-E234 IonicContact NH2-OE1 2.73Å; R190-E234 IonicContact NH2-OE2 3.25Å; R190-E234 PolarHBondContact NH2-OE2 2.69Å; R190-H238 VanDerWaalsContact O-CB 3.32Å; R190-H238 WeakPolarHBondContact O-CB 3.32Å; R190-H238 PolarHBondContact O-ND1 3Å
191T98.3Very high96.2Very high20 Ų2054.5 Ų54.512%0.12325%0.246CC..PPolyproline II helixtrans-60.6162.7164.1-162.30000112.2L18 I103 G106 C214 A215 I216 H238L18-T191 HydrophobicContact CD2-CG2 4.37Å; I103-T191 HydrophobicContact CD1-CG2 4.45Å; G106-T191 PolarHBondContact O-N 3.39Å; T191-C214 VanDerWaalsContact CG2-O 3.29Å; T191-C214 WeakPolarHBondContact CG2-O 3.43Å; T191-A215 HydrophobicContact CG2-CB 4.15Å; T191-A215 CarbonylContact O-C 3.26Å; T191-A215 VanDerWaalsContact O-CA 3.31Å; T191-A215 WeakPolarHBondContact O-CA 3.48Å; T191-I216 PolarHBondContact O-N 3.29Å; T191-H238 WeakPolarHBondContact CA-CE1 3.33Å; T191-H238 VanDerWaalsContact CA-NE2 3.26Å; T191-H238 WeakPolarHBondContact CA-NE2 3.29Å; T191-H238 WeakPolarHBondContact CB-CE1 3.35Å; T191-H238 WeakPolarHBondContact CB-NE2 3.45Å; T191-H238 PolarHBondContact N-CE1 2.9Å; T191-H238 PolarHBondContact N-ND1 3.42Å; T191-H238 PolarHBondContact OG1-NE2 3.46Å; T191-H238 VanDerWaalsContact OG1-NE2 3.15Å
192F97.4Very high96.2Very high28 Ų2858.1 Ų58.112%0.12326%0.261CS..EExtended strand (participates in β ladder)trans-144.9153.6-173.865.1-91.4000112.3F161 F194 I216 F235 H238 K239F161-F192 HydrophobicContact CE1-CE2 4.3Å; F161-F192 HydrophobicContact CE2-CE2 4.26Å; F161-F192 AromaticContact CE2-CZ 3.92Å; F161-F192 HydrophobicContact CE2-CZ 3.92Å; F161-F192 AromaticContact CZ-CE2 3.81Å; F161-F192 HydrophobicContact CZ-CE2 3.81Å; F161-F192 AromaticContact CZ-CZ 3.72Å; F161-F192 HydrophobicContact CZ-CZ 3.72Å; F192-F194 HydrophobicContact CD2-CE2 4.47Å; F192-F194 HydrophobicContact CE2-CE2 4.23Å; F192-F194 HydrophobicContact CE2-CZ 4.37Å; F192-I216 CarbonylContact C-O 3.59Å; F192-I216 WeakPolarHBondContact CA-O 3.5Å; F192-I216 HydrophobicContact CB-CB 3.8Å; F192-I216 HydrophobicContact CB-CD1 4.4Å; F192-I216 WeakPolarHBondContact CB-O 3.46Å; F192-F235 HydrophobicContact CB-CD1 4.02Å; F192-F235 HydrophobicContact CB-CE1 3.88Å; F192-F235 AromaticContact CD1-CD1 3.69Å; F192-F235 HydrophobicContact CD1-CD1 3.69Å; F192-F235 HydrophobicContact CD1-CE1 4.41Å; F192-F235 AromaticContact CD2-CD1 3.77Å; F192-F235 HydrophobicContact CD2-CD1 3.77Å; F192-F235 HydrophobicContact CD2-CE1 4.02Å; F192-F235 HydrophobicContact CE1-CB 4.26Å; F192-F235 AromaticContact CE1-CD1 3.96Å; F192-F235 HydrophobicContact CE1-CD1 3.96Å; F192-F235 HydrophobicContact CE2-CD1 4.05Å; F192-F235 AromaticContact CG-CD1 3.57Å; F192-F235 HydrophobicContact CG-CD1 3.57Å; F192-F235 AromaticContact CG-CE1 3.89Å; F192-F235 HydrophobicContact CG-CE1 3.89Å; F192-F235 HydrophobicContact CZ-CD1 4.14Å; F192-H238 AromaticContact CD1-CD2 3.66Å; F192-H238 AromaticContact CE1-CD2 3.73Å; F192-K239 HydrophobicContact CE1-CG 4.23Å; F192-K239 HydrophobicContact CZ-CG 4.41Å
193G95.6Very high96.1Very high24 Ų2462.5 Ų62.525%0.24729%0.292CS..EExtended strand (participates in β ladder)trans-145.8152.5177.500000111.8I216 V218G193-I216 PolarHBondContact N-O 3.29Å; G193-V218 PolarHBondContact O-N 2.77Å
194F95.9Very high96Very high24 Ų2468.7 Ų68.711%0.10531%0.313CS..EExtended strand (participates in β ladder)trans-93.2128.1176.4-61.3-83.2000109.9F161 H163 I166 F192 R196 D197 I198 V218F161-F194 HydrophobicContact CD1-CE2 4.26Å; F161-F194 AromaticContact CD1-CZ 3.78Å; F161-F194 HydrophobicContact CD1-CZ 3.78Å; F161-F194 AromaticContact CE1-CE2 3.97Å; F161-F194 HydrophobicContact CE1-CE2 3.97Å; F161-F194 AromaticContact CE1-CZ 3.92Å; F161-F194 HydrophobicContact CE1-CZ 3.92Å; H163-F194 AromaticContact CD2-CE1 3.79Å; H163-F194 AromaticContact CG-CE1 3.99Å; I166-F194 HydrophobicContact CD1-CE1 4.25Å; I166-F194 HydrophobicContact CD1-CZ 4.07Å; F192-F194 HydrophobicContact CD2-CE2 4.47Å; F192-F194 HydrophobicContact CE2-CE2 4.23Å; F192-F194 HydrophobicContact CE2-CZ 4.37Å; F194-R196 HydrophobicContact CB-CG 4.17Å; F194-R196 PolarHBondContact O-N 2.82Å; F194-D197 PolarHBondContact O-N 2.85Å; F194-I198 PolarHBondContact O-N 2.82Å; F194-V218 CarbonylContact C-O 3.48Å; F194-V218 WeakPolarHBondContact CA-O 3.31Å; F194-V218 HydrophobicContact CD1-CB 4.07Å; F194-V218 HydrophobicContact CD1-CG1 4.04Å; F194-V218 HydrophobicContact CE1-CB 4.36Å; F194-V218 HydrophobicContact CE1-CG1 4.12Å
195M94Very high95.9Very high92 Ų9262.6 Ų62.645%0.45330%0.303SS..Hα-helixtrans-53-41.4-176.4-172.865.4-169.900112.2D197 I198 V217 V218 D219M195-D197 PolarHBondContact O-N 3.5Å; M195-I198 PolarHBondContact O-N 2.73Å; M195-I198 HydrophobicContact SD-CD1 4.05Å; M195-V217 HydrophobicContact CB-CG1 4.29Å; M195-V217 HydrophobicContact SD-CG1 4.09Å; M195-V218 PolarHBondContact N-O 2.85Å; M195-D219 HydrophobicContact CB-CB 4.48Å
196R93.4Very high95.8Very high132 Ų13261.1 Ų61.150%0.49830%0.297SS..Hα-helixtrans-60.1-2517763.2173.5179.6-103.6-8.3114.4F194 D220F194-R196 HydrophobicContact CB-CG 4.17Å; F194-R196 PolarHBondContact O-N 2.82Å; R196-D220 IonicContact CZ-OD1 3.51Å; R196-D220 IonicContact NH1-OD1 3.5Å; R196-D220 PolarHBondContact NH1-OD1 3.3Å
197D94.1Very high95.6Very high65 Ų6562.1 Ų62.135%0.34830%0.303SS..Hα-helixtrans-95.3-18.6-177.3-61-31000112F194 M195 E199 Y200 L201F194-D197 PolarHBondContact O-N 2.85Å; M195-D197 PolarHBondContact O-N 3.5Å; D197-E199 PolarHBondContact O-N 2.93Å; D197-Y200 PolarHBondContact O-N 3.2Å; D197-L201 HydrophobicContact CB-CD1 4.38Å; D197-L201 WeakPolarHBondContact O-CB 3.49Å; D197-L201 VanDerWaalsContact O-CG 3.28Å; D197-L201 WeakPolarHBondContact O-CG 3.14Å; D197-L201 PolarHBondContact O-N 2.95Å
198I93.2Very high95.6Very high38 Ų3866.2 Ų66.220%0.19533%0.325CS..Hα-helixtrans-61-51-172.6-67.8176.5000111.5F194 M195 Y200 L201 Q202 V217F194-I198 PolarHBondContact O-N 2.82Å; M195-I198 PolarHBondContact O-N 2.73Å; M195-I198 HydrophobicContact SD-CD1 4.05Å; I198-Y200 VanDerWaalsContact C-N 3.27Å; I198-Y200 PolarHBondContact O-N 2.91Å; I198-L201 PolarHBondContact O-N 3.35Å; I198-L201 VanDerWaalsContact O-N 3.17Å; I198-Q202 HydrophobicContact CG2-CG 4.19Å; I198-Q202 WeakPolarHBondContact O-CB 3.32Å; I198-Q202 WeakPolarHBondContact O-CG 3.47Å; I198-Q202 PolarHBondContact O-N 2.56Å; I198-V217 HydrophobicContact CD1-CG1 4.02Å
199E92Very high95.5Very high151 Ų15160.9 Ų60.971%0.70631%0.31SS*.Hα-helixtrans-59.4-41-179.7-68.8-174.9172.400111.5D197 Q202 S203D197-E199 PolarHBondContact O-N 2.93Å; E199-Q202 PolarHBondContact O-N 2.88Å; E199-S203 WeakPolarHBondContact O-CB 3.46Å; E199-S203 PolarHBondContact O-N 3.32Å
200Y95.8Very high95.3Very high117 Ų11762.6 Ų62.646%0.45933%0.327SS..Hα-helixtrans-64-45.3176.6170.8-103.5000111.8D197 I198 S203 R204D197-Y200 PolarHBondContact O-N 3.2Å; I198-Y200 VanDerWaalsContact C-N 3.27Å; I198-Y200 PolarHBondContact O-N 2.91Å; Y200-S203 PolarHBondContact O-N 3.21Å; Y200-S203 PolarHBondContact O-OG 3.38Å; Y200-R204 PolarHBondContact O-N 3.5Å; Y200-R204 PolarHBondContact OH-NE 2.77Å; Y200-R204 PolarHBondContact OH-NH1 3.2Å; Y200-R204 PolarHBondContact OH-NH2 2.63Å
201L95.7Very high95.1Very high24 Ų2464.2 Ų64.213%0.12634%0.341CS..Hα-helixtrans-63.9-43177.2-69.5174.5000111.7L62 D197 I198 S203 R204 G205 L206 C207L62-L201 HydrophobicContact CD1-CD1 3.95Å; L62-L201 HydrophobicContact CD1-CD2 3.68Å; L62-L201 HydrophobicContact CD1-CG 4.44Å; D197-L201 HydrophobicContact CB-CD1 4.38Å; D197-L201 WeakPolarHBondContact O-CB 3.49Å; D197-L201 VanDerWaalsContact O-CG 3.28Å; D197-L201 WeakPolarHBondContact O-CG 3.14Å; D197-L201 PolarHBondContact O-N 2.95Å; I198-L201 PolarHBondContact O-N 3.35Å; I198-L201 VanDerWaalsContact O-N 3.17Å; L201-S203 VanDerWaalsContact C-N 3.32Å; L201-S203 PolarHBondContact O-N 2.83Å; L201-R204 CarbonylContact O-C 3.57Å; L201-R204 WeakPolarHBondContact O-CA 3.42Å; L201-R204 PolarHBondContact O-N 2.95Å; L201-G205 PolarHBondContact O-N 2.86Å; L201-L206 CarbonylContact C-O 3.57Å; L201-L206 VanDerWaalsContact C-O 3.26Å; L201-L206 HydrophobicContact CB-CB 4.17Å; L201-L206 HydrophobicContact CD2-CD1 4.13Å; L201-L206 WeakPolarHBondContact O-CB 3.25Å; L201-L206 PolarHBondContact O-N 3.08Å; L201-C207 HydrophobicContact CB-CB 4.35Å
202Q95.4Very high95Very high82 Ų8268.2 Ų68.238%0.38336%0.357SS..Hα-helixtrans-62.6-38176.4-72.2179.5-1900112.2I198 E199 R204 G205 L206 C207 L208I198-Q202 HydrophobicContact CG2-CG 4.19Å; I198-Q202 WeakPolarHBondContact O-CB 3.32Å; I198-Q202 WeakPolarHBondContact O-CG 3.47Å; I198-Q202 PolarHBondContact O-N 2.56Å; E199-Q202 PolarHBondContact O-N 2.88Å; Q202-R204 PolarHBondContact O-N 2.79Å; Q202-R204 VanDerWaalsContact O-N 3.13Å; Q202-G205 PolarHBondContact O-N 3.31Å; Q202-L206 WeakPolarHBondContact CA-O 3.44Å; Q202-L206 PolarHBondContact N-O 3.37Å; Q202-C207 PolarHBondContact NE2-O 3.43Å; Q202-L208 HydrophobicContact CB-CD2 4.24Å; Q202-L208 HydrophobicContact CG-CD2 4.28Å
203S95.6Very high94.9Very high93 Ų9373.2 Ų73.265%0.6539%0.385SS*.Hα-helixtrans-61.3-21173.482.20000113.5E199 Y200 L201E199-S203 WeakPolarHBondContact O-CB 3.46Å; E199-S203 PolarHBondContact O-N 3.32Å; Y200-S203 PolarHBondContact O-N 3.21Å; Y200-S203 PolarHBondContact O-OG 3.38Å; L201-S203 VanDerWaalsContact C-N 3.32Å; L201-S203 PolarHBondContact O-N 2.83Å
204R94.2Very high94.9Very high165 Ų16572.3 Ų72.362%0.62337%0.374SS*.THydrogen-bonded Turntrans-100.310.3175.8-65.8-171.4169.2-155.3-2.1113.4Y200 L201 Q202 L206Y200-R204 PolarHBondContact O-N 3.5Å; Y200-R204 PolarHBondContact OH-NE 2.77Å; Y200-R204 PolarHBondContact OH-NH1 3.2Å; Y200-R204 PolarHBondContact OH-NH2 2.63Å; L201-R204 CarbonylContact O-C 3.57Å; L201-R204 WeakPolarHBondContact O-CA 3.42Å; L201-R204 PolarHBondContact O-N 2.95Å; Q202-R204 PolarHBondContact O-N 2.79Å; Q202-R204 VanDerWaalsContact O-N 3.13Å; R204-L206 VanDerWaalsContact C-N 3.33Å
205G93.7Very high95Very high39 Ų3971.7 Ų71.740%0.40237%0.374SS..THydrogen-bonded Turntrans73.123.1-179.400000114.2L201 Q202L201-G205 PolarHBondContact O-N 2.86Å; Q202-G205 PolarHBondContact O-N 3.31Å
206L95.5Very high95.2Very high41 Ų4167.3 Ų67.322%0.21535%0.352CS..  trans-110.8158.1174.7-62.7169.8000110.1H19 L62 L201 Q202 R204 L208H19-L206 HydrophobicContact CB-CD2 3.99Å; L62-L206 HydrophobicContact CD1-CD1 4.16Å; L201-L206 CarbonylContact C-O 3.57Å; L201-L206 VanDerWaalsContact C-O 3.26Å; L201-L206 HydrophobicContact CB-CB 4.17Å; L201-L206 HydrophobicContact CD2-CD1 4.13Å; L201-L206 WeakPolarHBondContact O-CB 3.25Å; L201-L206 PolarHBondContact O-N 3.08Å; Q202-L206 WeakPolarHBondContact CA-O 3.44Å; Q202-L206 PolarHBondContact N-O 3.37Å; R204-L206 VanDerWaalsContact C-N 3.33Å; L206-L208 PolarHBondContact O-N 2.8Å; L206-L208 VanDerWaalsContact O-N 3.16Å
207C95.2Very high95.4Very high21 Ų2161.5 Ų61.514%0.14233%0.331CS..SBendtrans55.528.3-179.8-58.30000114.3L18 H19 L201 Q202 G209 G210L18-C207 CarbonylContact O-C 3.49Å; L18-C207 VanDerWaalsContact O-CA 3.29Å; L18-C207 WeakPolarHBondContact O-CA 3.44Å; H19-C207 PolarHBondContact O-N 3.42Å; L201-C207 HydrophobicContact CB-CB 4.35Å; Q202-C207 PolarHBondContact NE2-O 3.43Å; C207-G209 VanDerWaalsContact C-N 3.27Å; C207-G209 PolarHBondContact O-N 3.02Å; C207-G210 PolarHBondContact O-N 3.26Å
208L96.8Very high95.5Very high92 Ų9258.4 Ų58.448%0.48232%0.315SS..THydrogen-bonded Turntrans-72.1-21179.8-59.7176.5000112.9L18 H19 Q202 L206L18-L208 PolarHBondContact O-N 3.42Å; H19-L208 WeakPolarHBondContact O-CB 3.43Å; H19-L208 WeakPolarHBondContact O-CG 3.37Å; H19-L208 PolarHBondContact O-N 3.35Å; H19-L208 VanDerWaalsContact O-N 3.09Å; Q202-L208 HydrophobicContact CB-CD2 4.24Å; Q202-L208 HydrophobicContact CG-CD2 4.28Å; L206-L208 PolarHBondContact O-N 2.8Å; L206-L208 VanDerWaalsContact O-N 3.16Å
209G96.4Very high95.6Very high18 Ų1858.4 Ų58.419%0.18632%0.315CS..THydrogen-bonded Turntrans-103.14.1175.400000114.2L18 C207L18-G209 WeakPolarHBondContact O-CA 3.17Å; L18-G209 PolarHBondContact O-N 3.33Å; C207-G209 VanDerWaalsContact C-N 3.27Å; C207-G209 PolarHBondContact O-N 3.02Å
210G94.9Very high95.7Very high35 Ų3554.9 Ų54.936%0.36130%0.301SS..  trans-71135.3-178.800000112.5C207C207-G210 PolarHBondContact O-N 3.26Å
211S95.2Very high95.6Very high47 Ų4757.7 Ų57.733%0.32931%0.312SS..  trans-147.2172.5173.576.50000111D213 C214 A215S211-D213 PolarHBondContact O-N 2.83Å; S211-D213 WeakPolarHBondContact OG-CB 3.38Å; S211-D213 PolarHBondContact OG-N 3.07Å; S211-D213 PolarHBondContact OG-OD2 2.86Å; S211-C214 PolarHBondContact N-SG 3.36Å; S211-C214 VanDerWaalsContact N-SG 3.39Å; S211-C214 PolarHBondContact O-N 3.27Å; S211-C214 VanDerWaalsContact O-N 3.16Å; S211-A215 PolarHBondContact O-N 3.47Å
212F95.6Very high95.5Very high105 Ų10564.3 Ų64.346%0.46134%0.336SS..THydrogen-bonded Turntrans-61.1-21.1172.7-73.8-81.1000113.7C214 V217 L224 N225F212-C214 VanDerWaalsContact C-N 3.34Å; F212-V217 HydrophobicContact CD1-CB 4.13Å; F212-V217 HydrophobicContact CD1-CG2 3.84Å; F212-V217 HydrophobicContact CE1-CB 3.63Å; F212-V217 HydrophobicContact CE1-CG1 4.32Å; F212-V217 HydrophobicContact CE1-CG2 3.77Å; F212-V217 HydrophobicContact CG-CG2 4.4Å; F212-V217 HydrophobicContact CZ-CB 4.18Å; F212-V217 HydrophobicContact CZ-CG1 4.41Å; F212-V217 HydrophobicContact CZ-CG2 4.24Å; F212-L224 HydrophobicContact CE1-CB 3.63Å; F212-L224 HydrophobicContact CZ-CB 4.14Å; F212-L224 HydrophobicContact CZ-CD1 4.48Å; F212-N225 PolarHBondContact O-ND2 3.38Å; F212-N225 VanDerWaalsContact O-ND2 3.17Å
213D95.2Very high95.6Very high133 Ų13362 Ų6271%0.71133%0.327SS*.THydrogen-bonded Turntrans-74.7-27.9178.3-55.4-43.8000112S211S211-D213 PolarHBondContact O-N 2.83Å; S211-D213 WeakPolarHBondContact OG-CB 3.38Å; S211-D213 PolarHBondContact OG-N 3.07Å; S211-D213 PolarHBondContact OG-OD2 2.86Å
214C95.9Very high95.6Very high4 Ų460 Ų603%0.02731%0.308CS..THydrogen-bonded Turntrans-118.90.6-175780000114.8I103 M104 D105 G106 T191 S211 F212I103-C214 HydrophobicContact CG1-CB 4.31Å; I103-C214 HydrophobicContact CG2-CB 3.77Å; M104-C214 WeakPolarHBondContact O-CB 3.13Å; D105-C214 VanDerWaalsContact C-CA 3.46Å; D105-C214 WeakPolarHBondContact O-CA 3.46Å; G106-C214 WeakPolarHBondContact CA-O 3.27Å; T191-C214 VanDerWaalsContact CG2-O 3.29Å; T191-C214 WeakPolarHBondContact CG2-O 3.43Å; S211-C214 PolarHBondContact N-SG 3.36Å; S211-C214 VanDerWaalsContact N-SG 3.39Å; S211-C214 PolarHBondContact O-N 3.27Å; S211-C214 VanDerWaalsContact O-N 3.16Å; F212-C214 VanDerWaalsContact C-N 3.34Å
215A97.3Very high95.8Very high12 Ų1252.7 Ų52.710%0.09928%0.282CS..SBendtrans-149.5147.7179.400000112T191 S211 V217 N225T191-A215 HydrophobicContact CG2-CB 4.15Å; T191-A215 CarbonylContact O-C 3.26Å; T191-A215 VanDerWaalsContact O-CA 3.31Å; T191-A215 WeakPolarHBondContact O-CA 3.48Å; S211-A215 PolarHBondContact O-N 3.47Å; A215-V217 PolarHBondContact O-N 2.92Å; A215-N225 PolarHBondContact O-ND2 3.25Å
216I97.9Very high95.8Very high0 Ų060.4 Ų60.40%031%0.307CS..EExtended strand (participates in β ladder)trans-76.9118.8164-53161.9000107R190 T191 F192 G193 V218 V223 N225 L229 E234 F235R190-I216 HydrophobicContact CB-CD1 4.22Å; R190-I216 HydrophobicContact CB-CG1 4.04Å; T191-I216 PolarHBondContact O-N 3.29Å; F192-I216 CarbonylContact C-O 3.59Å; F192-I216 WeakPolarHBondContact CA-O 3.5Å; F192-I216 HydrophobicContact CB-CB 3.8Å; F192-I216 HydrophobicContact CB-CD1 4.4Å; F192-I216 WeakPolarHBondContact CB-O 3.46Å; G193-I216 PolarHBondContact N-O 3.29Å; I216-V218 HydrophobicContact CG2-CG2 4.13Å; I216-V223 HydrophobicContact CG2-CG1 3.8Å; I216-V223 HydrophobicContact CG2-CG2 4.18Å; I216-N225 VanDerWaalsContact CA-OD1 3.23Å; I216-N225 WeakPolarHBondContact CA-OD1 3.28Å; I216-L229 HydrophobicContact CD1-CD2 3.88Å; I216-L229 HydrophobicContact CG1-CD2 4.32Å; I216-L229 HydrophobicContact CG2-CD2 3.74Å; I216-E234 HydrophobicContact CD1-CB 4.23Å; I216-E234 HydrophobicContact CD1-CG 3.62Å; I216-E234 WeakPolarHBondContact CD1-OE2 3.16Å; I216-F235 HydrophobicContact CG2-CE1 4.05Å; I216-F235 HydrophobicContact CG2-CZ 4.05Å
217V97Very high95.8Very high9 Ų966 Ų666%0.05534%0.337CS..EExtended strand (participates in β ladder)trans-102.4127.8179-173.20000108.7M195 I198 F212 A215 L224 N225M195-V217 HydrophobicContact CB-CG1 4.29Å; M195-V217 HydrophobicContact SD-CG1 4.09Å; I198-V217 HydrophobicContact CD1-CG1 4.02Å; F212-V217 HydrophobicContact CD1-CB 4.13Å; F212-V217 HydrophobicContact CD1-CG2 3.84Å; F212-V217 HydrophobicContact CE1-CB 3.63Å; F212-V217 HydrophobicContact CE1-CG1 4.32Å; F212-V217 HydrophobicContact CE1-CG2 3.77Å; F212-V217 HydrophobicContact CG-CG2 4.4Å; F212-V217 HydrophobicContact CZ-CB 4.18Å; F212-V217 HydrophobicContact CZ-CG1 4.41Å; F212-V217 HydrophobicContact CZ-CG2 4.24Å; A215-V217 PolarHBondContact O-N 2.92Å; V217-L224 HydrophobicContact CB-CB 4.42Å; V217-L224 HydrophobicContact CG1-CD1 4.09Å; V217-L224 WeakPolarHBondContact O-CB 3.4Å; V217-L224 PolarHBondContact O-N 2.75Å; V217-N225 PolarHBondContact N-OD1 2.84Å
218V96.6Very high95.8Very high0 Ų066.1 Ų66.10%034%0.342CS..EExtended strand (participates in β ladder)trans-120.2121.5-175.4-179.70000109H163 A165 G193 F194 M195 I216 R222 V223 F235H163-V218 WeakPolarHBondContact CE1-CG1 3.23Å; A165-V218 HydrophobicContact CB-CG1 3.53Å; G193-V218 PolarHBondContact O-N 2.77Å; F194-V218 CarbonylContact C-O 3.48Å; F194-V218 WeakPolarHBondContact CA-O 3.31Å; F194-V218 HydrophobicContact CD1-CB 4.07Å; F194-V218 HydrophobicContact CD1-CG1 4.04Å; F194-V218 HydrophobicContact CE1-CB 4.36Å; F194-V218 HydrophobicContact CE1-CG1 4.12Å; M195-V218 PolarHBondContact N-O 2.85Å; I216-V218 HydrophobicContact CG2-CG2 4.13Å; V218-R222 WeakPolarHBondContact CA-O 3.37Å; V218-V223 HydrophobicContact CG2-CG2 4.31Å; V218-F235 HydrophobicContact CG2-CE1 3.83Å; V218-F235 HydrophobicContact CG2-CZ 3.75Å
219D95.6Very high95.8Very high38 Ų3864.4 Ų64.420%0.20333%0.334CS..  trans-81.3-167.716770.914.7000110.1H163 M195 Y221 R222 L224H163-D219 PolarHBondContact CE1-O 2.93Å; H163-D219 PolarHBondContact NE2-O 3.34Å; M195-D219 HydrophobicContact CB-CB 4.48Å; D219-Y221 PolarHBondContact O-N 3.41Å; D219-Y221 VanDerWaalsContact O-N 3.12Å; D219-Y221 WeakPolarHBondContact OD1-CA 3.26Å; D219-Y221 PolarHBondContact OD1-N 3.15Å; D219-R222 PolarHBondContact N-O 2.91Å; D219-R222 WeakPolarHBondContact OD1-CG 3.38Å; D219-R222 PolarHBondContact OD1-N 2.99Å; D219-R222 IonicContact OD2-NE 3.43Å; D219-L224 HydrophobicContact CB-CD1 4.16Å; D219-L224 HydrophobicContact CB-CD2 4.27Å; D219-L224 HydrophobicContact CB-CG 4.27Å; D219-L224 WeakPolarHBondContact OD2-CD2 3.48Å
220D93.5Very high95.8Very high78 Ų7867.5 Ų67.542%0.41734%0.34SS..SBendtrans-69.4-5.8-179.1-64.8-44.7000114.7H163 P164 R196H163-D220 VanDerWaalsContact CE1-C 3.49Å; P164-D220 WeakPolarHBondContact CD-O 3.38Å; R196-D220 IonicContact CZ-OD1 3.51Å; R196-D220 IonicContact NH1-OD1 3.5Å; R196-D220 PolarHBondContact NH1-OD1 3.3Å
221Y93.5Very high95.9Very high175 Ų17567.3 Ų67.369%0.68633%0.329SS*.SBendtrans-130.2-34.6-171.1-54.9-75.7000114.2A165 D219A165-Y221 PolarHBondContact N-O 2.82Å; D219-Y221 PolarHBondContact O-N 3.41Å; D219-Y221 VanDerWaalsContact O-N 3.12Å; D219-Y221 WeakPolarHBondContact OD1-CA 3.26Å; D219-Y221 PolarHBondContact OD1-N 3.15Å
222R94.9Very high95.9Very high164 Ų16472.7 Ų72.762%0.61935%0.349SS*.SBendtrans-154166.6-167.663.1178.5-179.8172.65113.8V218 D219 L224V218-R222 WeakPolarHBondContact CA-O 3.37Å; D219-R222 PolarHBondContact N-O 2.91Å; D219-R222 WeakPolarHBondContact OD1-CG 3.38Å; D219-R222 PolarHBondContact OD1-N 2.99Å; D219-R222 IonicContact OD2-NE 3.43Å; R222-L224 HydrophobicContact CG-CD2 4.34Å
223V96.4Very high96Very high32 Ų3268.7 Ų68.719%0.19433%0.332CS..BIsolated β-bridgetrans-72.4134.8165.5175.90000109.2I216 V218 N225 L229 F235I216-V223 HydrophobicContact CG2-CG1 3.8Å; I216-V223 HydrophobicContact CG2-CG2 4.18Å; V218-V223 HydrophobicContact CG2-CG2 4.31Å; V223-N225 HydrophobicContact CG1-CB 4.1Å; V223-L229 HydrophobicContact CG1-CD2 4.23Å; V223-L229 HydrophobicContact CG2-CD1 4.49Å; V223-L229 HydrophobicContact CG2-CD2 3.86Å; V223-L229 HydrophobicContact CG2-CG 4.19Å; V223-F235 HydrophobicContact CG2-CE2 4.49Å; V223-F235 HydrophobicContact CG2-CZ 4.06Å
224L96.8Very high96.1Very high51 Ų5162.4 Ų62.427%0.26730%0.299SS..  trans-98.3-13.6-177.6-66.8-174.2000113.8F212 V217 D219 R222 E226F212-L224 HydrophobicContact CE1-CB 3.63Å; F212-L224 HydrophobicContact CZ-CB 4.14Å; F212-L224 HydrophobicContact CZ-CD1 4.48Å; V217-L224 HydrophobicContact CB-CB 4.42Å; V217-L224 HydrophobicContact CG1-CD1 4.09Å; V217-L224 WeakPolarHBondContact O-CB 3.4Å; V217-L224 PolarHBondContact O-N 2.75Å; D219-L224 HydrophobicContact CB-CD1 4.16Å; D219-L224 HydrophobicContact CB-CD2 4.27Å; D219-L224 HydrophobicContact CB-CG 4.27Å; D219-L224 WeakPolarHBondContact OD2-CD2 3.48Å; R222-L224 HydrophobicContact CG-CD2 4.34Å; L224-E226 PolarHBondContact O-N 3.06Å
225N97.2Very high96.2Very high12 Ų1262.5 Ų62.56%0.06430%0.299CS..  trans-63.7128.1176-57.472.1000110.3F212 A215 I216 V217 V223 D227 G228F212-N225 PolarHBondContact O-ND2 3.38Å; F212-N225 VanDerWaalsContact O-ND2 3.17Å; A215-N225 PolarHBondContact O-ND2 3.25Å; I216-N225 VanDerWaalsContact CA-OD1 3.23Å; I216-N225 WeakPolarHBondContact CA-OD1 3.28Å; V217-N225 PolarHBondContact N-OD1 2.84Å; V223-N225 HydrophobicContact CG1-CB 4.1Å; N225-D227 VanDerWaalsContact C-N 3.32Å; N225-D227 PolarHBondContact O-N 2.89Å; N225-G228 WeakPolarHBondContact O-CA 3.49Å; N225-G228 PolarHBondContact O-N 2.99Å
226E95Very high96.3Very high201 Ų20161.9 Ų61.994%0.93929%0.294SS*.THydrogen-bonded Turntrans-61.2-39-177-63.2-173.5165.200112.8L224 G228L224-E226 PolarHBondContact O-N 3.06Å; E226-G228 PolarHBondContact O-N 2.85Å
227D94.1Very high96.3Very high158 Ų15863.6 Ų63.685%0.84530%0.3SS*.THydrogen-bonded Turntrans-76.3-1.9175.6-63.6-40.2000113.5N225N225-D227 VanDerWaalsContact C-N 3.32Å; N225-D227 PolarHBondContact O-N 2.89Å
228G95.6Very high96.4Very high24 Ų2463.1 Ų63.125%0.24730%0.298CS..  trans65.7-148.5-177.100000113.9R190 N225 E226R190-G228 PolarHBondContact NH2-O 2.8Å; N225-G228 WeakPolarHBondContact O-CA 3.49Å; N225-G228 PolarHBondContact O-N 2.99Å; E226-G228 PolarHBondContact O-N 2.85Å
229L96.8Very high96.5Very high57 Ų5765 Ų6530%0.29831%0.306SS..  trans-90144.7178.2-58.1178.2000111.1I216 V223 F231 E234 F235I216-L229 HydrophobicContact CD1-CD2 3.88Å; I216-L229 HydrophobicContact CG1-CD2 4.32Å; I216-L229 HydrophobicContact CG2-CD2 3.74Å; V223-L229 HydrophobicContact CG1-CD2 4.23Å; V223-L229 HydrophobicContact CG2-CD1 4.49Å; V223-L229 HydrophobicContact CG2-CD2 3.86Å; V223-L229 HydrophobicContact CG2-CG 4.19Å; L229-F231 VanDerWaalsContact C-N 3.3Å; L229-F231 WeakPolarHBondContact CB-O 3.5Å; L229-E234 VanDerWaalsContact CA-OE2 3.3Å; L229-E234 WeakPolarHBondContact CA-OE2 3.42Å; L229-E234 HydrophobicContact CB-CB 4.42Å; L229-E234 HydrophobicContact CD2-CB 4.38Å; L229-F235 HydrophobicContact CD1-CE2 4.03Å; L229-F235 HydrophobicContact CD2-CE2 4.2Å; L229-F235 HydrophobicContact CD2-CZ 4.2Å
230R97.2Very high96.6Very high83 Ų8363.2 Ų63.231%0.31330%0.296SS..SBendtrans-75.4-23.7172.1-65.5171.1178.1-176.90.4111.9D105 R188 R190 E234D105-R230 IonicContact OD2-CZ 3.56Å; D105-R230 VanDerWaalsContact OD2-CZ 3.25Å; D105-R230 IonicContact OD2-NH1 2.76Å; D105-R230 PolarHBondContact OD2-NH1 2.85Å; D105-R230 IonicContact OD2-NH2 2.64Å; D105-R230 PolarHBondContact OD2-NH2 3.08Å; R188-R230 WeakPolarHBondContact O-CD 3.43Å; R188-R230 PolarHBondContact O-NH1 2.89Å; R190-R230 VanDerWaalsContact CD-CZ 3.43Å; R230-E234 PolarHBondContact N-OE2 2.88Å
231F96.9Very high96.9Very high31 Ų3159.5 Ų59.514%0.13628%0.276CS..SBendtrans-140.8144.8175.7-51.4-79.1000109.3R188 A189 L229 D233 E234 R237R188-F231 HydrophobicContact CB-CE2 3.91Å; R188-F231 HydrophobicContact CB-CZ 3.98Å; A189-F231 HydrophobicContact CB-CD2 4.3Å; A189-F231 HydrophobicContact CB-CE2 4.22Å; L229-F231 VanDerWaalsContact C-N 3.3Å; L229-F231 WeakPolarHBondContact CB-O 3.5Å; F231-D233 WeakPolarHBondContact CB-OD1 3.5Å; F231-D233 PolarHBondContact O-N 3.49Å; F231-D233 VanDerWaalsContact O-N 3.15Å; F231-E234 HydrophobicContact CB-CB 4.07Å; F231-E234 HydrophobicContact CD2-CB 4.35Å; F231-E234 HydrophobicContact CD2-CG 4.15Å; F231-E234 VanDerWaalsContact O-CB 3.31Å; F231-E234 WeakPolarHBondContact O-CB 3.41Å; F231-E234 PolarHBondContact O-N 2.9Å; F231-E234 VanDerWaalsContact O-N 3.11Å; F231-R237 VanDerWaalsContact CD1-NH1 3.32Å
232E95.5Very high97.1Very high159 Ų15951.3 Ų51.374%0.74324%0.244SC*.THydrogen-bonded Turntrans-61.1-25.3178.3-63.6-179.717200112.9N170N170-E232 PolarHBondContact ND2-O 3.26Å; N170-E232 VanDerWaalsContact ND2-O 3.07Å
233D96.9Very high97.3Very high22 Ų2243.5 Ų43.512%0.11822%0.215CC..THydrogen-bonded Turntrans-114.129179.757.6-14.3000111.9N170 Y173 F231 F235 V236 R237N170-D233 HydrophobicContact CB-CB 3.98Å; Y173-D233 WeakPolarHBondContact CD2-OD2 3.29Å; F231-D233 WeakPolarHBondContact CB-OD1 3.5Å; F231-D233 PolarHBondContact O-N 3.49Å; F231-D233 VanDerWaalsContact O-N 3.15Å; D233-F235 VanDerWaalsContact C-N 3.26Å; D233-F235 PolarHBondContact O-N 2.83Å; D233-V236 HydrophobicContact CB-CG1 3.89Å; D233-V236 WeakPolarHBondContact O-CG1 3.44Å; D233-V236 PolarHBondContact O-N 2.83Å; D233-R237 WeakPolarHBondContact O-CG 3.3Å; D233-R237 PolarHBondContact O-N 2.76Å; D233-R237 WeakPolarHBondContact OD1-CD 3.33Å; D233-R237 IonicContact OD1-CZ 2.61Å; D233-R237 IonicContact OD1-NE 3.9Å; D233-R237 PolarHBondContact OD1-NE 2.98Å; D233-R237 IonicContact OD1-NH2 2.9Å; D233-R237 PolarHBondContact OD1-NH2 3.39Å; D233-R237 IonicContact OD2-CZ 3.41Å; D233-R237 IonicContact OD2-NE 3.63Å; D233-R237 PolarHBondContact OD2-NE 3.28Å; D233-R237 IonicContact OD2-NH2 3.61Å; D233-R237 PolarHBondContact OD2-NH2 3.07Å; D233-R237 VanDerWaalsContact OD2-NH2 3.11Å
234E98.1Very high97.4Very high0 Ų042.1 Ų42.10%021%0.206CC..Hα-helixtrans-56.2-35.5-174.2-170.3170-170.400113.1A189 R190 I216 L229 R230 F231 V236 R237 H238A189-E234 HydrophobicContact CB-CG 4.05Å; R190-E234 IonicContact CZ-OE1 3.53Å; R190-E234 IonicContact CZ-OE2 2.79Å; R190-E234 PolarHBondContact N-OE1 3.48Å; R190-E234 IonicContact NE-OE1 2.73Å; R190-E234 PolarHBondContact NE-OE1 2.76Å; R190-E234 IonicContact NE-OE2 3.74Å; R190-E234 IonicContact NH2-OE1 2.73Å; R190-E234 IonicContact NH2-OE2 3.25Å; R190-E234 PolarHBondContact NH2-OE2 2.69Å; I216-E234 HydrophobicContact CD1-CB 4.23Å; I216-E234 HydrophobicContact CD1-CG 3.62Å; I216-E234 WeakPolarHBondContact CD1-OE2 3.16Å; L229-E234 VanDerWaalsContact CA-OE2 3.3Å; L229-E234 WeakPolarHBondContact CA-OE2 3.42Å; L229-E234 HydrophobicContact CB-CB 4.42Å; L229-E234 HydrophobicContact CD2-CB 4.38Å; R230-E234 PolarHBondContact N-OE2 2.88Å; F231-E234 HydrophobicContact CB-CB 4.07Å; F231-E234 HydrophobicContact CD2-CB 4.35Å; F231-E234 HydrophobicContact CD2-CG 4.15Å; F231-E234 VanDerWaalsContact O-CB 3.31Å; F231-E234 WeakPolarHBondContact O-CB 3.41Å; F231-E234 PolarHBondContact O-N 2.9Å; F231-E234 VanDerWaalsContact O-N 3.11Å; E234-V236 PolarHBondContact O-N 2.95Å; E234-R237 PolarHBondContact O-N 3.22Å; E234-H238 WeakPolarHBondContact O-CB 3.36Å; E234-H238 PolarHBondContact O-N 3.48Å
235F98.1Very high97.5Very high6 Ų639.7 Ų39.73%0.02619%0.194CC..Hα-helixtrans-61-46.4179.8-61.7-75000113.3I159 I166 F192 I216 V218 V223 L229 D233 K239I159-F235 HydrophobicContact CD1-CB 3.65Å; I166-F235 HydrophobicContact CB-CD2 4.46Å; I166-F235 HydrophobicContact CD1-CD1 4.21Å; I166-F235 HydrophobicContact CD1-CD2 4.39Å; I166-F235 HydrophobicContact CD1-CE1 4.33Å; I166-F235 HydrophobicContact CD1-CE2 4.5Å; I166-F235 HydrophobicContact CD1-CG 4.25Å; I166-F235 HydrophobicContact CD1-CZ 4.47Å; I166-F235 HydrophobicContact CG1-CD1 4.49Å; I166-F235 HydrophobicContact CG1-CD2 3.91Å; I166-F235 HydrophobicContact CG1-CE1 4.39Å; I166-F235 HydrophobicContact CG1-CE2 3.78Å; I166-F235 HydrophobicContact CG1-CG 4.27Å; I166-F235 HydrophobicContact CG1-CZ 4.04Å; I166-F235 HydrophobicContact CG2-CD2 4.09Å; I166-F235 HydrophobicContact CG2-CG 4.49Å; F192-F235 HydrophobicContact CB-CD1 4.02Å; F192-F235 HydrophobicContact CB-CE1 3.88Å; F192-F235 AromaticContact CD1-CD1 3.69Å; F192-F235 HydrophobicContact CD1-CD1 3.69Å; F192-F235 HydrophobicContact CD1-CE1 4.41Å; F192-F235 AromaticContact CD2-CD1 3.77Å; F192-F235 HydrophobicContact CD2-CD1 3.77Å; F192-F235 HydrophobicContact CD2-CE1 4.02Å; F192-F235 HydrophobicContact CE1-CB 4.26Å; F192-F235 AromaticContact CE1-CD1 3.96Å; F192-F235 HydrophobicContact CE1-CD1 3.96Å; F192-F235 HydrophobicContact CE2-CD1 4.05Å; F192-F235 AromaticContact CG-CD1 3.57Å; F192-F235 HydrophobicContact CG-CD1 3.57Å; F192-F235 AromaticContact CG-CE1 3.89Å; F192-F235 HydrophobicContact CG-CE1 3.89Å; F192-F235 HydrophobicContact CZ-CD1 4.14Å; I216-F235 HydrophobicContact CG2-CE1 4.05Å; I216-F235 HydrophobicContact CG2-CZ 4.05Å; V218-F235 HydrophobicContact CG2-CE1 3.83Å; V218-F235 HydrophobicContact CG2-CZ 3.75Å; V223-F235 HydrophobicContact CG2-CE2 4.49Å; V223-F235 HydrophobicContact CG2-CZ 4.06Å; L229-F235 HydrophobicContact CD1-CE2 4.03Å; L229-F235 HydrophobicContact CD2-CE2 4.2Å; L229-F235 HydrophobicContact CD2-CZ 4.2Å; D233-F235 VanDerWaalsContact C-N 3.26Å; D233-F235 PolarHBondContact O-N 2.83Å; F235-K239 PolarHBondContact O-N 2.96Å; F235-K239 VanDerWaalsContact O-N 3.11Å
236V98.3Very high97.6Very high0 Ų039.2 Ų39.20%019%0.191CC..Hα-helixtrans-75.7-33.9-179.860.50000111.1F157 I159 N170 D233 E234 H238 K239 M240F157-V236 HydrophobicContact CB-CG2 4.23Å; F157-V236 HydrophobicContact CD1-CG2 4.26Å; F157-V236 VanDerWaalsContact O-CG2 3.26Å; F157-V236 WeakPolarHBondContact O-CG2 3.35Å; I159-V236 HydrophobicContact CD1-CB 3.75Å; I159-V236 HydrophobicContact CG1-CB 3.97Å; I159-V236 HydrophobicContact CG1-CG2 4.37Å; I159-V236 HydrophobicContact CG2-CB 4.41Å; I159-V236 HydrophobicContact CG2-CG2 4.32Å; N170-V236 WeakPolarHBondContact O-CG1 3.16Å; D233-V236 HydrophobicContact CB-CG1 3.89Å; D233-V236 WeakPolarHBondContact O-CG1 3.44Å; D233-V236 PolarHBondContact O-N 2.83Å; E234-V236 PolarHBondContact O-N 2.95Å; V236-H238 VanDerWaalsContact C-N 3.33Å; V236-H238 PolarHBondContact O-N 2.83Å; V236-K239 PolarHBondContact O-N 2.85Å; V236-M240 PolarHBondContact O-N 2.76Å
237R98.6Very high97.8Very high35 Ų3529.7 Ų29.713%0.13215%0.147CC..Hα-helixtrans-63.8-39.4173-70.4177.6179.8-145.418.1112Y173 Q185 I186 A189 F231 D233 E234 M240 L241Y173-R237 HydrophobicContact CD1-CG 4.1Å; Y173-R237 HydrophobicContact CD2-CG 4.17Å; Y173-R237 HydrophobicContact CE1-CG 4.32Å; Y173-R237 HydrophobicContact CE2-CG 4.38Å; Y173-R237 HydrophobicContact CG-CG 4.02Å; Q185-R237 WeakPolarHBondContact O-CD 3.35Å; Q185-R237 PolarHBondContact O-NH1 2.95Å; I186-R237 HydrophobicContact CD1-CB 4.04Å; I186-R237 HydrophobicContact CD1-CG 4.08Å; A189-R237 HydrophobicContact CB-CB 3.77Å; F231-R237 VanDerWaalsContact CD1-NH1 3.32Å; D233-R237 WeakPolarHBondContact O-CG 3.3Å; D233-R237 PolarHBondContact O-N 2.76Å; D233-R237 WeakPolarHBondContact OD1-CD 3.33Å; D233-R237 IonicContact OD1-CZ 2.61Å; D233-R237 IonicContact OD1-NE 3.9Å; D233-R237 PolarHBondContact OD1-NE 2.98Å; D233-R237 IonicContact OD1-NH2 2.9Å; D233-R237 PolarHBondContact OD1-NH2 3.39Å; D233-R237 IonicContact OD2-CZ 3.41Å; D233-R237 IonicContact OD2-NE 3.63Å; D233-R237 PolarHBondContact OD2-NE 3.28Å; D233-R237 IonicContact OD2-NH2 3.61Å; D233-R237 PolarHBondContact OD2-NH2 3.07Å; D233-R237 VanDerWaalsContact OD2-NH2 3.11Å; E234-R237 PolarHBondContact O-N 3.22Å; R237-M240 PolarHBondContact O-N 2.88Å; R237-L241 PolarHBondContact O-N 3.01Å
238H98.6Very high98Very high0 Ų022.4 Ų22.40%011%0.107CC..Hα-helixtrans-65.1-43.3173.9176.363.9000111.3H79 A189 R190 T191 F192 E234 V236 M240 L241 D242H79-H238 AromaticContact CE1-CE1 3.95Å; H79-H238 AromaticContact NE2-CE1 3.34Å; H79-H238 PolarHBondContact NE2-CE1 2.89Å; H79-H238 VanDerWaalsContact NE2-CE1 3.34Å; A189-H238 HydrophobicContact CB-CB 4.09Å; R190-H238 VanDerWaalsContact O-CB 3.32Å; R190-H238 WeakPolarHBondContact O-CB 3.32Å; R190-H238 PolarHBondContact O-ND1 3Å; T191-H238 WeakPolarHBondContact CA-CE1 3.33Å; T191-H238 VanDerWaalsContact CA-NE2 3.26Å; T191-H238 WeakPolarHBondContact CA-NE2 3.29Å; T191-H238 WeakPolarHBondContact CB-CE1 3.35Å; T191-H238 WeakPolarHBondContact CB-NE2 3.45Å; T191-H238 PolarHBondContact N-CE1 2.9Å; T191-H238 PolarHBondContact N-ND1 3.42Å; T191-H238 PolarHBondContact OG1-NE2 3.46Å; T191-H238 VanDerWaalsContact OG1-NE2 3.15Å; F192-H238 AromaticContact CD1-CD2 3.66Å; F192-H238 AromaticContact CE1-CD2 3.73Å; E234-H238 WeakPolarHBondContact O-CB 3.36Å; E234-H238 PolarHBondContact O-N 3.48Å; V236-H238 VanDerWaalsContact C-N 3.33Å; V236-H238 PolarHBondContact O-N 2.83Å; H238-M240 VanDerWaalsContact C-N 3.26Å; H238-M240 PolarHBondContact O-N 3.08Å; H238-L241 WeakPolarHBondContact O-CA 3.36Å; H238-L241 VanDerWaalsContact O-CB 3.24Å; H238-L241 WeakPolarHBondContact O-CB 3.45Å; H238-L241 PolarHBondContact O-N 3.31Å; H238-D242 IonicContact CD2-OD2 3.84Å; H238-D242 IonicContact CE1-OD1 3.06Å; H238-D242 PolarHBondContact CE1-OD1 3.23Å; H238-D242 IonicContact CE1-OD2 3.74Å; H238-D242 IonicContact ND1-OD1 2.95Å; H238-D242 IonicContact NE2-OD1 3.89Å; H238-D242 PolarHBondContact NE2-OD1 3.49Å; H238-D242 IonicContact NE2-OD2 3.58Å; H238-D242 PolarHBondContact NE2-OD2 3.41Å; H238-D242 PolarHBondContact O-N 3.4Å
239K98.5Very high98.1Very high39 Ų3921.2 Ų21.217%0.1710%0.096CC..Hα-helixtrans-64.6-30.6174.9-71.7-72.4155.4-137.80113.2F157 I159 F192 F235 V236 D242 A243F157-K239 HydrophobicContact CD1-CB 4.08Å; F157-K239 HydrophobicContact CE1-CB 3.67Å; F157-K239 HydrophobicContact CZ-CB 4.02Å; I159-K239 HydrophobicContact CG2-CB 3.95Å; I159-K239 HydrophobicContact CG2-CG 3.84Å; F192-K239 HydrophobicContact CE1-CG 4.23Å; F192-K239 HydrophobicContact CZ-CG 4.41Å; F235-K239 PolarHBondContact O-N 2.96Å; F235-K239 VanDerWaalsContact O-N 3.11Å; V236-K239 PolarHBondContact O-N 2.85Å; K239-D242 IonicContact NZ-OD2 2.98Å; K239-D242 PolarHBondContact NZ-OD2 2.74Å; K239-A243 WeakPolarHBondContact O-CB 3.36Å; K239-A243 PolarHBondContact O-N 3.41Å; K239-A243 VanDerWaalsContact O-N 3.08Å
240M98.6Very high98.1Very high0 Ų019.2 Ų19.20%09%0.086CC..Hα-helixtrans-69.1-39.4169-176.1176.4-70.300112.1L155 F157 Y173 M175 I186 V236 R237 H238 A243 I244L155-M240 HydrophobicContact CB-CE 3.75Å; L155-M240 HydrophobicContact CB-CG 4.44Å; L155-M240 HydrophobicContact CB-SD 3.75Å; L155-M240 HydrophobicContact CD1-CG 4.38Å; L155-M240 HydrophobicContact CD1-SD 4.04Å; L155-M240 HydrophobicContact CG-SD 4.46Å; F157-M240 HydrophobicContact CB-CB 4.24Å; F157-M240 HydrophobicContact CB-CE 3.75Å; Y173-M240 HydrophobicContact CD1-CE 3.65Å; Y173-M240 HydrophobicContact CD1-SD 3.73Å; Y173-M240 HydrophobicContact CE1-CE 4.45Å; Y173-M240 HydrophobicContact CE1-SD 4.07Å; Y173-M240 WeakPolarHBondContact O-CE 3.26Å; M175-M240 HydrophobicContact CG-SD 3.77Å; M175-M240 HydrophobicContact SD-SD 3.91Å; I186-M240 HydrophobicContact CD1-CB 4.38Å; I186-M240 HydrophobicContact CD1-CG 4.3Å; I186-M240 HydrophobicContact CD1-SD 3.8Å; I186-M240 HydrophobicContact CG1-SD 4.43Å; V236-M240 PolarHBondContact O-N 2.76Å; R237-M240 PolarHBondContact O-N 2.88Å; H238-M240 VanDerWaalsContact C-N 3.26Å; H238-M240 PolarHBondContact O-N 3.08Å; M240-A243 PolarHBondContact O-N 3.43Å; M240-I244 HydrophobicContact CG-CD1 4.18Å; M240-I244 VanDerWaalsContact O-CG1 3.28Å; M240-I244 WeakPolarHBondContact O-CG1 3.22Å; M240-I244 PolarHBondContact O-N 3.01Å
241L98.8Very high98.1Very high0 Ų015.7 Ų15.70%08%0.076CC..Hα-helixtrans-57.3-50.4173-175.8157.4000110.8H79 A82 A108 I186 R237 H238 A243 I244 G245H79-L241 HydrophobicContact CB-CD2 4.24Å; H79-L241 VanDerWaalsContact CD2-CD2 3.41Å; H79-L241 WeakPolarHBondContact CD2-CD2 3.46Å; A82-L241 HydrophobicContact CB-CD2 4.02Å; A82-L241 HydrophobicContact CB-CG 4.07Å; A82-L241 WeakPolarHBondContact CB-O 3.5Å; A108-L241 HydrophobicContact CB-CD1 3.72Å; A108-L241 HydrophobicContact CB-CD2 4.35Å; A108-L241 HydrophobicContact CB-CG 4.21Å; I186-L241 HydrophobicContact CG2-CB 3.62Å; I186-L241 HydrophobicContact CG2-CD1 4.22Å; I186-L241 HydrophobicContact CG2-CG 4.13Å; R237-L241 PolarHBondContact O-N 3.01Å; H238-L241 WeakPolarHBondContact O-CA 3.36Å; H238-L241 VanDerWaalsContact O-CB 3.24Å; H238-L241 WeakPolarHBondContact O-CB 3.45Å; H238-L241 PolarHBondContact O-N 3.31Å; L241-A243 VanDerWaalsContact C-N 3.31Å; L241-A243 PolarHBondContact O-N 3.47Å; L241-I244 PolarHBondContact O-N 3.36Å; L241-G245 PolarHBondContact O-N 2.81Å
242D98.8Very high98.1Very high4 Ų416.3 Ų16.32%0.0218%0.079CC..Hα-helixtrans-53.8-50.2175.2-68.5-15.2000110.5H79 H238 K239 I244 G245 D246 H265H79-D242 IonicContact CD2-OD1 3.33Å; H79-D242 IonicContact NE2-OD1 3.94Å; H238-D242 IonicContact CD2-OD2 3.84Å; H238-D242 IonicContact CE1-OD1 3.06Å; H238-D242 PolarHBondContact CE1-OD1 3.23Å; H238-D242 IonicContact CE1-OD2 3.74Å; H238-D242 IonicContact ND1-OD1 2.95Å; H238-D242 IonicContact NE2-OD1 3.89Å; H238-D242 PolarHBondContact NE2-OD1 3.49Å; H238-D242 IonicContact NE2-OD2 3.58Å; H238-D242 PolarHBondContact NE2-OD2 3.41Å; H238-D242 PolarHBondContact O-N 3.4Å; K239-D242 IonicContact NZ-OD2 2.98Å; K239-D242 PolarHBondContact NZ-OD2 2.74Å; D242-I244 PolarHBondContact O-N 2.87Å; D242-G245 CarbonylContact O-C 3.43Å; D242-G245 WeakPolarHBondContact O-CA 3.45Å; D242-G245 PolarHBondContact O-N 2.92Å; D242-G245 VanDerWaalsContact O-N 3.07Å; D242-D246 PolarHBondContact O-N 2.78Å; D242-H265 IonicContact OD2-CE1 2.73Å; D242-H265 IonicContact OD2-NE2 2.97Å
243A98.7Very high98.2Very high0 Ų08.9 Ų8.90%04%0.044CC..Hα-helixtrans-61.4-42.3-17900000112.9F157 K239 M240 L241 G245 D246 L247 F258 N268F157-A243 HydrophobicContact CD2-CB 4.13Å; F157-A243 HydrophobicContact CE2-CB 3.73Å; K239-A243 WeakPolarHBondContact O-CB 3.36Å; K239-A243 PolarHBondContact O-N 3.41Å; K239-A243 VanDerWaalsContact O-N 3.08Å; M240-A243 PolarHBondContact O-N 3.43Å; L241-A243 VanDerWaalsContact C-N 3.31Å; L241-A243 PolarHBondContact O-N 3.47Å; A243-G245 VanDerWaalsContact C-N 3.26Å; A243-G245 PolarHBondContact O-N 2.98Å; A243-D246 PolarHBondContact O-N 3.01Å; A243-L247 WeakPolarHBondContact O-CB 3.45Å; A243-L247 WeakPolarHBondContact O-CD1 3.3Å; A243-L247 WeakPolarHBondContact O-CG 3.48Å; A243-L247 PolarHBondContact O-N 3.49Å; A243-F258 HydrophobicContact CB-CE1 3.71Å; A243-F258 HydrophobicContact CB-CZ 3.99Å; A243-N268 WeakPolarHBondContact CA-ND2 3.3Å
244I98.7Very high98.3Very high3 Ų38.1 Ų8.12%0.0154%0.04CC..Hα-helixtrans-58.4-43.4174.6-66.6163000110A82 A85 L155 F177 F182 I186 M240 L241 D242 F248A82-I244 HydrophobicContact CB-CB 4.42Å; A82-I244 HydrophobicContact CB-CG2 4.28Å; A85-I244 HydrophobicContact CB-CG2 3.88Å; L155-I244 HydrophobicContact CD1-CD1 3.78Å; L155-I244 HydrophobicContact CD1-CG1 3.96Å; L155-I244 HydrophobicContact CD2-CG1 4.19Å; F177-I244 HydrophobicContact CD2-CD1 4.42Å; F177-I244 HydrophobicContact CE2-CD1 4.39Å; F177-I244 HydrophobicContact CE2-CG2 4.37Å; F182-I244 HydrophobicContact CD2-CD1 4.01Å; F182-I244 HydrophobicContact CE2-CD1 4.21Å; I186-I244 HydrophobicContact CG2-CD1 4.2Å; M240-I244 HydrophobicContact CG-CD1 4.18Å; M240-I244 VanDerWaalsContact O-CG1 3.28Å; M240-I244 WeakPolarHBondContact O-CG1 3.22Å; M240-I244 PolarHBondContact O-N 3.01Å; L241-I244 PolarHBondContact O-N 3.36Å; D242-I244 PolarHBondContact O-N 2.87Å; I244-F248 WeakPolarHBondContact O-CB 3.47Å; I244-F248 PolarHBondContact O-N 2.85Å; I244-F248 VanDerWaalsContact O-N 3.15Å
245G98.7Very high98.3Very high0 Ų08.2 Ų8.20%04%0.04CC..Hα-helixtrans-65-46.2177.500000114.2E78 N81 L241 D242 A243 F248E78-G245 WeakPolarHBondContact O-CA 3.34Å; N81-G245 VanDerWaalsContact CB-O 3.26Å; N81-G245 WeakPolarHBondContact CB-O 2.99Å; N81-G245 PolarHBondContact ND2-O 2.82Å; L241-G245 PolarHBondContact O-N 2.81Å; D242-G245 CarbonylContact O-C 3.43Å; D242-G245 WeakPolarHBondContact O-CA 3.45Å; D242-G245 PolarHBondContact O-N 2.92Å; D242-G245 VanDerWaalsContact O-N 3.07Å; A243-G245 VanDerWaalsContact C-N 3.26Å; A243-G245 PolarHBondContact O-N 2.98Å; G245-F248 PolarHBondContact O-N 2.85Å
246D98.8Very high98.3Very high1 Ų17.9 Ų7.91%0.0054%0.039CC..Hα-helixtrans-62.8-44.6178.4-63-22.5000111.1T64 E78 D242 A243 F248 M249 H265 N268T64-D246 PolarHBondContact OG1-OD1 2.83Å; E78-D246 WeakPolarHBondContact CB-OD1 3.03Å; D242-D246 PolarHBondContact O-N 2.78Å; A243-D246 PolarHBondContact O-N 3.01Å; D246-F248 VanDerWaalsContact C-N 3.27Å; D246-F248 PolarHBondContact O-N 2.96Å; D246-M249 VanDerWaalsContact O-CB 3.24Å; D246-M249 WeakPolarHBondContact O-CB 3.33Å; D246-M249 WeakPolarHBondContact O-CG 3.31Å; D246-M249 PolarHBondContact O-N 3.34Å; D246-H265 IonicContact OD1-CE1 2.91Å; D246-H265 IonicContact OD1-CG 3.55Å; D246-H265 IonicContact OD1-ND1 3.47Å; D246-H265 PolarHBondContact OD1-ND1 3.49Å; D246-H265 WeakPolarHBondContact OD2-CA 3.3Å; D246-H265 IonicContact OD2-CE1 3.27Å; D246-H265 IonicContact OD2-CG 2.63Å; D246-H265 IonicContact OD2-ND1 3.55Å; D246-H265 PolarHBondContact OD2-ND1 2.8Å; D246-N268 HydrophobicContact CB-CB 3.72Å; D246-N268 PolarHBondContact OD2-ND2 3.26Å
247L98.6Very high98.3Very high2 Ų28.8 Ų8.81%0.015%0.046CC..Hα-helixtrans-67.8-27.9-179.1-70171.8000112.4F147 A243 M249 C250 I254 F258 L272F147-L247 HydrophobicContact CE2-CD1 4.42Å; F147-L247 HydrophobicContact CE2-CD2 3.52Å; F147-L247 HydrophobicContact CZ-CD1 3.79Å; F147-L247 HydrophobicContact CZ-CD2 3.68Å; F147-L247 HydrophobicContact CZ-CG 4.24Å; A243-L247 WeakPolarHBondContact O-CB 3.45Å; A243-L247 WeakPolarHBondContact O-CD1 3.3Å; A243-L247 WeakPolarHBondContact O-CG 3.48Å; A243-L247 PolarHBondContact O-N 3.49Å; L247-M249 PolarHBondContact O-N 3.01Å; L247-C250 PolarHBondContact O-SG 2.92Å; L247-C250 VanDerWaalsContact O-SG 3.41Å; L247-I254 HydrophobicContact CB-CD1 4.09Å; L247-F258 HydrophobicContact CD1-CD1 4.09Å; L247-F258 HydrophobicContact CD1-CD2 3.78Å; L247-F258 HydrophobicContact CD1-CE1 4.17Å; L247-F258 HydrophobicContact CD1-CE2 3.89Å; L247-F258 HydrophobicContact CD1-CG 3.87Å; L247-F258 HydrophobicContact CD1-CZ 4.07Å; L247-F258 HydrophobicContact CD2-CE2 4.48Å; L247-L272 HydrophobicContact CD2-CB 4.39Å; L247-L272 HydrophobicContact CD2-CD1 4.45Å; L247-L272 WeakPolarHBondContact O-CD2 3.46Å
248F98.4Very high98.3Very high4 Ų47.1 Ų7.12%0.0184%0.04CC..G310 helixtrans-72-6.2176-167.1-114.6000113.5V37 N81 L84 A85 I244 G245 D246 C250 G251V37-F248 HydrophobicContact CG2-CE1 3.94Å; V37-F248 HydrophobicContact CG2-CZ 4.39Å; N81-F248 HydrophobicContact CB-CB 4.35Å; N81-F248 HydrophobicContact CB-CD1 4.12Å; L84-F248 HydrophobicContact CB-CD1 4.2Å; L84-F248 HydrophobicContact CB-CE1 3.57Å; L84-F248 HydrophobicContact CB-CZ 4.22Å; L84-F248 HydrophobicContact CD1-CE1 4.31Å; A85-F248 HydrophobicContact CB-CB 4.01Å; A85-F248 HydrophobicContact CB-CD1 4.3Å; A85-F248 HydrophobicContact CB-CD2 3.6Å; A85-F248 HydrophobicContact CB-CE2 4.1Å; A85-F248 HydrophobicContact CB-CG 3.71Å; I244-F248 WeakPolarHBondContact O-CB 3.47Å; I244-F248 PolarHBondContact O-N 2.85Å; I244-F248 VanDerWaalsContact O-N 3.15Å; G245-F248 PolarHBondContact O-N 2.85Å; D246-F248 VanDerWaalsContact C-N 3.27Å; D246-F248 PolarHBondContact O-N 2.96Å; F248-C250 PolarHBondContact O-N 2.87Å; F248-G251 PolarHBondContact O-N 2.85Å
249M98.4Very high98.3Very high0 Ų08.8 Ų8.80%05%0.05CC..G310 helixtrans-64.5-3.3173.2-73.3-59.6-47.800114.5A52 D53 A54 V57 T64 L66 V77 N81 D246 L247 L272A52-M249 CarbonylContact C-O 3.52Å; A52-M249 HydrophobicContact CB-CE 4.09Å; D53-M249 CarbonylContact C-O 3.48Å; D53-M249 VanDerWaalsContact C-O 3.29Å; D53-M249 VanDerWaalsContact CA-O 3.27Å; D53-M249 WeakPolarHBondContact CA-O 3.38Å; D53-M249 PolarHBondContact N-O 2.63Å; D53-M249 WeakPolarHBondContact O-CE 3.23Å; A54-M249 PolarHBondContact N-O 3.02Å; V57-M249 HydrophobicContact CG2-CB 4.43Å; V57-M249 HydrophobicContact CG2-CE 4.09Å; V57-M249 HydrophobicContact CG2-CG 4.01Å; T64-M249 HydrophobicContact CG2-CG 4.21Å; L66-M249 HydrophobicContact CD1-CE 4.42Å; L66-M249 HydrophobicContact CD2-CE 3.34Å; L66-M249 HydrophobicContact CD2-SD 4.11Å; V77-M249 HydrophobicContact CG2-SD 4.12Å; N81-M249 PolarHBondContact ND2-SD 2.82Å; D246-M249 VanDerWaalsContact O-CB 3.24Å; D246-M249 WeakPolarHBondContact O-CB 3.33Å; D246-M249 WeakPolarHBondContact O-CG 3.31Å; D246-M249 PolarHBondContact O-N 3.34Å; L247-M249 PolarHBondContact O-N 3.01Å; M249-L272 HydrophobicContact CB-CD2 3.99Å
250C97.3Very high98.3Very high15 Ų157 Ų710%0.1014%0.043CC..G310 helixtrans-81.2-1.8165.567.40000113.6L247 F248 H252 L272 L276L247-C250 PolarHBondContact O-SG 2.92Å; L247-C250 VanDerWaalsContact O-SG 3.41Å; F248-C250 PolarHBondContact O-N 2.87Å; C250-H252 VanDerWaalsContact C-N 3.3Å; C250-H252 PolarHBondContact O-CD2 2.76Å; C250-H252 VanDerWaalsContact O-CD2 3.31Å; C250-H252 PolarHBondContact O-N 3.36Å; C250-H252 PolarHBondContact SG-O 2.99Å; C250-L272 HydrophobicContact CB-CD1 3.98Å; C250-L272 HydrophobicContact CB-CD2 4.24Å; C250-L272 HydrophobicContact CB-CG 4.43Å; C250-L276 HydrophobicContact CB-CD1 4.07Å; C250-L276 HydrophobicContact CB-CD2 4.42Å
251G96.8Very high98.3Very high9 Ų910.3 Ų10.39%0.0936%0.056CC..SBendtrans79.64.6177.800000115F248F248-G251 PolarHBondContact O-N 2.85Å
252H97.6Very high98.3Very high43 Ų4312.7 Ų12.720%0.1997%0.066CC..SBendtrans-143.1151.2-175-60.8-69000111.9K128 V130 C250 Y284K128-H252 PolarHBondContact O-ND1 3.02Å; V130-H252 HydrophobicContact CG2-CB 3.96Å; C250-H252 VanDerWaalsContact C-N 3.3Å; C250-H252 PolarHBondContact O-CD2 2.76Å; C250-H252 VanDerWaalsContact O-CD2 3.31Å; C250-H252 PolarHBondContact O-N 3.36Å; C250-H252 PolarHBondContact SG-O 2.99Å; H252-Y284 AromaticContact CD2-CE1 3.44Å; H252-Y284 VanDerWaalsContact CD2-CE1 3.44Å; H252-Y284 WeakPolarHBondContact CD2-CE1 3.36Å; H252-Y284 AromaticContact NE2-CE1 3.67Å
253N97.3Very high98.1Very high4 Ų412.9 Ų12.92%0.0217%0.067CC..  trans-65.2138.6168.4-69.4102.5000110.4A85 K127 F129 V130 F297A85-N253 PolarHBondContact O-ND2 3.15Å; K127-N253 WeakPolarHBondContact CE-OD1 3.36Å; K127-N253 PolarHBondContact NZ-OD1 2.89Å; F129-N253 WeakPolarHBondContact CA-O 3.24Å; F129-N253 HydrophobicContact CD1-CB 3.75Å; F129-N253 HydrophobicContact CE1-CB 3.98Å; V130-N253 PolarHBondContact N-O 3.04Å; N253-F297 HydrophobicContact CB-CD1 4.12Å; N253-F297 HydrophobicContact CB-CE1 3.65Å; N253-F297 HydrophobicContact CB-CZ 4.26Å
254I98Very high98.1Very high6 Ų614.2 Ų14.23%0.0318%0.081CC..EExtended strand (participates in β ladder)trans-98.3134.7-177.3-63.8171.1000110.7V130 I132 F147 F153 L247 L272 F297V130-I254 HydrophobicContact CB-CG1 4.2Å; V130-I254 HydrophobicContact CG1-CG1 4.42Å; V130-I254 CarbonylContact O-C 3.56Å; V130-I254 VanDerWaalsContact O-CA 3.32Å; V130-I254 WeakPolarHBondContact O-CA 3.16Å; I132-I254 HydrophobicContact CD1-CG2 4.13Å; I132-I254 HydrophobicContact CG1-CG2 3.88Å; F147-I254 HydrophobicContact CD1-CG2 4.45Å; F147-I254 HydrophobicContact CE1-CG2 3.72Å; F147-I254 HydrophobicContact CE2-CD1 4.26Å; F147-I254 HydrophobicContact CZ-CD1 3.7Å; F147-I254 HydrophobicContact CZ-CG2 3.96Å; F153-I254 WeakPolarHBondContact CG-O 3.32Å; L247-I254 HydrophobicContact CB-CD1 4.09Å; I254-L272 HydrophobicContact CD1-CD1 4.08Å; I254-F297 VanDerWaalsContact O-CZ 3.29Å; I254-F297 WeakPolarHBondContact O-CZ 3.34Å
255I98.2Very high98Very high1 Ų114.6 Ų14.61%0.0058%0.083CC..EExtended strand (participates in β ladder)trans-103112.4169.8-61.9168.8000107.6F129 V130 R131 I132 Y150 G152 V285 F287 P294 F297F129-I255 HydrophobicContact CB-CD1 3.6Å; F129-I255 HydrophobicContact CB-CG1 4.04Å; F129-I255 HydrophobicContact CD1-CD1 4.19Å; F129-I255 HydrophobicContact CD1-CG1 4.26Å; F129-I255 HydrophobicContact CG-CD1 3.9Å; F129-I255 HydrophobicContact CG-CG1 4.38Å; V130-I255 PolarHBondContact O-N 3.47Å; R131-I255 HydrophobicContact CB-CB 4.31Å; R131-I255 HydrophobicContact CG-CB 4.4Å; R131-I255 HydrophobicContact CG-CG2 4.27Å; I132-I255 WeakPolarHBondContact CG1-O 3.49Å; I132-I255 PolarHBondContact N-O 3.33Å; Y150-I255 VanDerWaalsContact O-CG2 3.3Å; Y150-I255 WeakPolarHBondContact O-CG2 3.48Å; G152-I255 CarbonylContact O-C 3.6Å; G152-I255 WeakPolarHBondContact O-CA 3.5Å; I255-V285 HydrophobicContact CD1-CG2 3.81Å; I255-F287 HydrophobicContact CD1-CE2 3.66Å; I255-F287 HydrophobicContact CD1-CZ 3.72Å; I255-P294 HydrophobicContact CD1-CG 4.3Å; I255-P294 HydrophobicContact CG2-CG 4.48Å; I255-F297 HydrophobicContact CG1-CD2 4.38Å; I255-F297 HydrophobicContact CG1-CE2 3.7Å; I255-F297 HydrophobicContact CG1-CZ 4.4Å
256G98.2Very high98Very high0 Ų017.2 Ų17.20%010%0.104CC..EExtended strand (participates in β ladder)trans169.4178-175.300000112K148 G152 F153 S154K148-G256 CarbonylContact O-C 3.56Å; K148-G256 WeakPolarHBondContact O-CA 3.31Å; G152-G256 PolarHBondContact O-N 3.03Å; F153-G256 VanDerWaalsContact CA-O 3.28Å; F153-G256 WeakPolarHBondContact CA-O 3.19Å; F153-G256 WeakPolarHBondContact CD2-O 3.11Å; S154-G256 PolarHBondContact N-O 3.07Å
257A98.6Very high98Very high18 Ų1817.5 Ų17.515%0.14911%0.106CC..EExtended strand (participates in β ladder)trans-106.9121.6170.200000107.9F147 K148 Y150 S154F147-A257 CarbonylContact C-O 3.54Å; F147-A257 VanDerWaalsContact CA-O 3.27Å; F147-A257 WeakPolarHBondContact CA-O 3.39Å; K148-A257 HydrophobicContact CB-CB 4.39Å; K148-A257 PolarHBondContact N-O 3.28Å; K148-A257 PolarHBondContact O-N 3.04Å; Y150-A257 HydrophobicContact CG-CB 4.16Å; S154-A257 CarbonylContact O-C 3.53Å; S154-A257 WeakPolarHBondContact O-CA 3.44Å
258F98.8Very high98Very high1 Ų117.5 Ų17.50%0.00411%0.106CC..EExtended strand (participates in β ladder)trans-102.3127.7174.4173.1-109000109.2A145 E146 F147 F153 S154 L155 D156 F157 A243 L247 A260 L271A145-F258 HydrophobicContact CB-CE2 4.15Å; E146-F258 WeakPolarHBondContact O-CA 3.28Å; F147-F258 HydrophobicContact CD1-CB 4.04Å; F147-F258 HydrophobicContact CD1-CD2 4.5Å; F147-F258 HydrophobicContact CE1-CB 3.67Å; F147-F258 HydrophobicContact CE1-CD2 4.2Å; F147-F258 HydrophobicContact CE1-CG 4.35Å; F147-F258 HydrophobicContact CE2-CD2 4.35Å; F147-F258 HydrophobicContact CZ-CB 4.31Å; F147-F258 HydrophobicContact CZ-CD2 4.12Å; F153-F258 HydrophobicContact CE2-CB 4.11Å; S154-F258 PolarHBondContact O-N 2.91Å; L155-F258 HydrophobicContact CD2-CB 4.16Å; L155-F258 HydrophobicContact CD2-CD1 3.85Å; L155-F258 HydrophobicContact CD2-CG 4.44Å; D156-F258 PolarHBondContact N-O 3.33Å; F157-F258 AromaticContact CD2-CE1 3.81Å; F157-F258 HydrophobicContact CD2-CE1 3.81Å; F157-F258 HydrophobicContact CD2-CZ 4.46Å; F157-F258 HydrophobicContact CE2-CE1 4.02Å; F157-F258 HydrophobicContact CE2-CZ 4.25Å; A243-F258 HydrophobicContact CB-CE1 3.71Å; A243-F258 HydrophobicContact CB-CZ 3.99Å; L247-F258 HydrophobicContact CD1-CD1 4.09Å; L247-F258 HydrophobicContact CD1-CD2 3.78Å; L247-F258 HydrophobicContact CD1-CE1 4.17Å; L247-F258 HydrophobicContact CD1-CE2 3.89Å; L247-F258 HydrophobicContact CD1-CG 3.87Å; L247-F258 HydrophobicContact CD1-CZ 4.07Å; L247-F258 HydrophobicContact CD2-CE2 4.48Å; F258-A260 HydrophobicContact CE1-CB 3.86Å; F258-A260 HydrophobicContact CE2-CB 4.26Å; F258-A260 HydrophobicContact CZ-CB 3.57Å; F258-L271 HydrophobicContact CD2-CD2 3.84Å; F258-L271 HydrophobicContact CE2-CD2 3.63Å
259T98.7Very high98Very high35 Ų3517.8 Ų17.822%0.21511%0.108CC..EExtended strand (participates in β ladder)trans-130.7135.8173-50.80000109.8W144 A145 E146 D156W144-T259 HydrophobicContact CH2-CG2 3.49Å; W144-T259 VanDerWaalsContact CH2-CG2 3.49Å; W144-T259 HydrophobicContact CZ3-CG2 3.79Å; W144-T259 WeakPolarHBondContact CZ3-O 3.24Å; A145-T259 CarbonylContact C-O 3.6Å; E146-T259 PolarHBondContact N-O 2.86Å; E146-T259 PolarHBondContact O-N 3.44Å; D156-T259 HydrophobicContact CB-CG2 4.01Å; D156-T259 CarbonylContact O-C 3.57Å; D156-T259 VanDerWaalsContact O-CA 3.22Å; D156-T259 WeakPolarHBondContact O-CA 3.36Å
260A98.7Very high98Very high1 Ų122.7 Ų22.71%0.00813%0.129CC..EExtended strand (participates in β ladder)trans-142.5144.1-17800000112.2W144 A145 D156 F157 T158 F258W144-A260 WeakPolarHBondContact O-CA 3.36Å; A145-A260 HydrophobicContact CB-CB 4.27Å; D156-A260 PolarHBondContact O-N 3Å; F157-A260 HydrophobicContact CD2-CB 3.77Å; F157-A260 HydrophobicContact CE2-CB 3.61Å; F157-A260 HydrophobicContact CG-CB 4.36Å; F157-A260 HydrophobicContact CZ-CB 4.1Å; T158-A260 PolarHBondContact N-O 2.95Å; F258-A260 HydrophobicContact CE1-CB 3.86Å; F258-A260 HydrophobicContact CE2-CB 4.26Å; F258-A260 HydrophobicContact CZ-CB 3.57Å
261Y98.6Very high98.1Very high69 Ų6922 Ų2227%0.27112%0.124SC..EExtended strand (participates in β ladder)trans-127.5119.2173.7179.9-104.5000109D142 W144 T158 D160 S263D142-Y261 WeakPolarHBondContact O-CD1 3.27Å; W144-Y261 PolarHBondContact N-O 2.91Å; W144-Y261 VanDerWaalsContact NE1-CB 3.29Å; W144-Y261 AromaticContact NE1-CD1 3.85Å; W144-Y261 AromaticContact NE1-CG 3.82Å; W144-Y261 PolarHBondContact O-N 3.33Å; T158-Y261 HydrophobicContact CG2-CD2 3.58Å; T158-Y261 HydrophobicContact CG2-CE2 3.77Å; T158-Y261 CarbonylContact O-C 3.49Å; T158-Y261 WeakPolarHBondContact O-CA 3.27Å; D160-Y261 HydrophobicContact CB-CE2 4.32Å; D160-Y261 PolarHBondContact OD2-OH 3.46Å; Y261-S263 PolarHBondContact O-N 2.94Å; Y261-S263 VanDerWaalsContact O-N 3.08Å
262K97.6Very high98.1Very high51 Ų5121.6 Ų21.622%0.22212%0.12CC..SBendtrans5524.6-178-58.2174.576.1157.90113.8D142 K143 T158 D160D142-K262 WeakPolarHBondContact OD2-CE 3.48Å; D142-K262 IonicContact OD2-NZ 2.67Å; D142-K262 PolarHBondContact OD2-NZ 3.34Å; K143-K262 HydrophobicContact CB-CB 4.24Å; K143-K262 HydrophobicContact CG-CB 3.83Å; T158-K262 PolarHBondContact O-N 3.35Å; D160-K262 HydrophobicContact CB-CD 3.64Å; D160-K262 HydrophobicContact CB-CG 3.64Å; D160-K262 IonicContact OD2-NZ 3.85Å; D160-K262 PolarHBondContact OD2-NZ 3.43Å
263S96.2Very high98.2Very high7 Ų723.1 Ų23.15%0.04913%0.127CC..  trans-70156.9179.6-166.80000111.4F157 Y261 L267 N268F157-S263 WeakPolarHBondContact CZ-O 3.45Å; Y261-S263 PolarHBondContact O-N 2.94Å; Y261-S263 VanDerWaalsContact O-N 3.08Å; S263-L267 WeakPolarHBondContact OG-CB 3.35Å; S263-N268 PolarHBondContact OG-OD1 3Å
264G97.1Very high98.2Very high28 Ų2824.6 Ų24.629%0.28914%0.14SC..  trans-149.1-174.8171.200000109.4A266 L267 N268G264-A266 VanDerWaalsContact C-N 3.29Å; G264-A266 PolarHBondContact O-N 3.03Å; G264-A266 VanDerWaalsContact O-N 3.13Å; G264-L267 PolarHBondContact O-N 3Å; G264-N268 PolarHBondContact O-N 3.07Å; G264-N268 PolarHBondContact O-ND2 2.69Å
265H98.4Very high98.2Very high12 Ų1224.3 Ų24.36%0.05614%0.139CC..Hα-helixtrans-50.5-44.7-171.8-53-66000114.2T60 C63 E78 D242 D246 L267 N268 N269T60-H265 HydrophobicContact CG2-CB 4.17Å; C63-H265 PolarHBondContact N-CD2 3.06Å; E78-H265 IonicContact OE1-CE1 3.11Å; D242-H265 IonicContact OD2-CE1 2.73Å; D242-H265 IonicContact OD2-NE2 2.97Å; D246-H265 IonicContact OD1-CE1 2.91Å; D246-H265 IonicContact OD1-CG 3.55Å; D246-H265 IonicContact OD1-ND1 3.47Å; D246-H265 PolarHBondContact OD1-ND1 3.49Å; D246-H265 WeakPolarHBondContact OD2-CA 3.3Å; D246-H265 IonicContact OD2-CE1 3.27Å; D246-H265 IonicContact OD2-CG 2.63Å; D246-H265 IonicContact OD2-ND1 3.55Å; D246-H265 PolarHBondContact OD2-ND1 2.8Å; H265-L267 PolarHBondContact O-N 3.44Å; H265-N268 PolarHBondContact O-N 3.21Å; H265-N269 VanDerWaalsContact O-CB 3.3Å; H265-N269 WeakPolarHBondContact O-CB 3.35Å; H265-N269 PolarHBondContact O-N 3.39Å
266A98.2Very high98.2Very high54 Ų5426.5 Ų26.545%0.44615%0.15SC..Hα-helixtrans-57.2-47.1178.100000112.6T60 G264 K270T60-A266 WeakPolarHBondContact OG1-CB 3.39Å; G264-A266 VanDerWaalsContact C-N 3.29Å; G264-A266 PolarHBondContact O-N 3.03Å; G264-A266 VanDerWaalsContact O-N 3.13Å; A266-K270 VanDerWaalsContact O-CB 3.23Å; A266-K270 WeakPolarHBondContact O-CB 3.47Å; A266-K270 PolarHBondContact O-N 2.98Å
267L98.2Very high98.2Very high8 Ų830.7 Ų30.74%0.04219%0.185CC..Hα-helixtrans-78.1-35.9-175.7-166.267.4000111.7V138 D140 K143 A145 S263 G264 H265 K270 L271V138-L267 HydrophobicContact CB-CD1 4.44Å; V138-L267 HydrophobicContact CG2-CD1 3.75Å; V138-L267 HydrophobicContact CG2-CG 4.13Å; D140-L267 HydrophobicContact CB-CD1 4.04Å; K143-L267 HydrophobicContact CB-CD2 3.76Å; A145-L267 HydrophobicContact CB-CD2 4.32Å; A145-L267 HydrophobicContact CB-CG 4.15Å; S263-L267 WeakPolarHBondContact OG-CB 3.35Å; G264-L267 PolarHBondContact O-N 3Å; H265-L267 PolarHBondContact O-N 3.44Å; L267-K270 HydrophobicContact CD1-CD 4.23Å; L267-K270 PolarHBondContact O-N 2.88Å; L267-L271 WeakPolarHBondContact O-CB 3.48Å; L267-L271 PolarHBondContact O-N 3.14Å
268N98.7Very high98.1Very high1 Ų134 Ų341%0.00520%0.196CC..Hα-helixtrans-60.4-48.4172-66.7-20.9000110.9A243 D246 S263 G264 H265 L271 L272A243-N268 WeakPolarHBondContact CA-ND2 3.3Å; D246-N268 HydrophobicContact CB-CB 3.72Å; D246-N268 PolarHBondContact OD2-ND2 3.26Å; S263-N268 PolarHBondContact OG-OD1 3Å; G264-N268 PolarHBondContact O-N 3.07Å; G264-N268 PolarHBondContact O-ND2 2.69Å; H265-N268 PolarHBondContact O-N 3.21Å; N268-L271 WeakPolarHBondContact O-CB 3.44Å; N268-L271 PolarHBondContact O-N 3.29Å; N268-L272 PolarHBondContact O-N 2.94Å
269N98.5Very high97.9Very high11 Ų1139.5 Ų39.56%0.05922%0.222CC..Hα-helixtrans-67.6-40177.7-176.9-98.7000112A54 V57 H265 L271 L272 Q273A54-N269 PolarHBondContact O-ND2 2.95Å; V57-N269 WeakPolarHBondContact CB-ND2 3.44Å; V57-N269 HydrophobicContact CG1-CB 4.33Å; H265-N269 VanDerWaalsContact O-CB 3.3Å; H265-N269 WeakPolarHBondContact O-CB 3.35Å; H265-N269 PolarHBondContact O-N 3.39Å; N269-L271 VanDerWaalsContact C-N 3.3Å; N269-L271 PolarHBondContact O-N 2.8Å; N269-L272 PolarHBondContact O-N 3.14Å; N269-Q273 WeakPolarHBondContact O-CG 3.19Å; N269-Q273 PolarHBondContact O-N 2.88Å; N269-Q273 PolarHBondContact OD1-NE2 3Å
270K98.4Very high97.9Very high102 Ų10243.8 Ų43.844%0.44324%0.239SC..Hα-helixtrans-57.1-43.3172.9-175.2-177.8179.7-177.50111.6V138 E139 A266 L267 A274V138-K270 HydrophobicContact CB-CD 4.17Å; V138-K270 HydrophobicContact CB-CG 4.19Å; V138-K270 HydrophobicContact CG1-CG 4.17Å; V138-K270 HydrophobicContact CG2-CB 4.45Å; V138-K270 HydrophobicContact CG2-CD 4.44Å; V138-K270 HydrophobicContact CG2-CG 4.34Å; E139-K270 PolarHBondContact O-NZ 3.38Å; A266-K270 VanDerWaalsContact O-CB 3.23Å; A266-K270 WeakPolarHBondContact O-CB 3.47Å; A266-K270 PolarHBondContact O-N 2.98Å; L267-K270 HydrophobicContact CD1-CD 4.23Å; L267-K270 PolarHBondContact O-N 2.88Å; K270-A274 WeakPolarHBondContact O-CB 3.4Å; K270-A274 PolarHBondContact O-N 2.8Å
271L98.7Very high97.8Very high0 Ų043.7 Ų43.70%024%0.239CC..Hα-helixtrans-62.4-49.4175.617862.8000111V136 V138 A145 F147 F258 L267 N268 N269 Q273 A274 V275V136-L271 HydrophobicContact CB-CD1 4.45Å; V136-L271 HydrophobicContact CG1-CD1 4.12Å; V136-L271 WeakPolarHBondContact O-CD1 3.33Å; V138-L271 HydrophobicContact CG1-CD1 4.34Å; V138-L271 HydrophobicContact CG2-CB 3.66Å; V138-L271 HydrophobicContact CG2-CD1 4.23Å; A145-L271 HydrophobicContact CB-CB 4.32Å; A145-L271 HydrophobicContact CB-CD2 3.85Å; F147-L271 HydrophobicContact CD2-CD1 4.27Å; F147-L271 HydrophobicContact CD2-CD2 3.49Å; F147-L271 VanDerWaalsContact CD2-CD2 3.49Å; F147-L271 HydrophobicContact CD2-CG 3.77Å; F147-L271 HydrophobicContact CE2-CD2 3.81Å; F147-L271 HydrophobicContact CE2-CG 4.19Å; F147-L271 HydrophobicContact CG-CD2 4.28Å; F258-L271 HydrophobicContact CD2-CD2 3.84Å; F258-L271 HydrophobicContact CE2-CD2 3.63Å; L267-L271 WeakPolarHBondContact O-CB 3.48Å; L267-L271 PolarHBondContact O-N 3.14Å; N268-L271 WeakPolarHBondContact O-CB 3.44Å; N268-L271 PolarHBondContact O-N 3.29Å; N269-L271 VanDerWaalsContact C-N 3.3Å; N269-L271 PolarHBondContact O-N 2.8Å; L271-Q273 VanDerWaalsContact C-N 3.33Å; L271-Q273 PolarHBondContact O-N 3.09Å; L271-A274 PolarHBondContact O-N 3.34Å; L271-A274 VanDerWaalsContact O-N 3.14Å; L271-V275 HydrophobicContact CD1-CG2 4.35Å; L271-V275 WeakPolarHBondContact O-CG2 3.36Å; L271-V275 PolarHBondContact O-N 3.49Å
272L98.3Very high97.8Very high2 Ų241.3 Ų41.31%0.0123%0.229CC..Hα-helixtrans-58.9-46.2-178.9-172.962.9000111.1A54 L247 M249 C250 I254 N268 N269 A274 V275 L276A54-L272 HydrophobicContact CB-CD2 3.67Å; A54-L272 HydrophobicContact CB-CG 4.02Å; L247-L272 HydrophobicContact CD2-CB 4.39Å; L247-L272 HydrophobicContact CD2-CD1 4.45Å; L247-L272 WeakPolarHBondContact O-CD2 3.46Å; M249-L272 HydrophobicContact CB-CD2 3.99Å; C250-L272 HydrophobicContact CB-CD1 3.98Å; C250-L272 HydrophobicContact CB-CD2 4.24Å; C250-L272 HydrophobicContact CB-CG 4.43Å; I254-L272 HydrophobicContact CD1-CD1 4.08Å; N268-L272 PolarHBondContact O-N 2.94Å; N269-L272 PolarHBondContact O-N 3.14Å; L272-A274 PolarHBondContact O-N 2.99Å; L272-V275 PolarHBondContact O-N 2.88Å; L272-L276 HydrophobicContact CD1-CD1 4.48Å; L272-L276 HydrophobicContact CG-CD1 4.14Å; L272-L276 WeakPolarHBondContact O-CB 3.45Å; L272-L276 VanDerWaalsContact O-CG 3.27Å; L272-L276 WeakPolarHBondContact O-CG 3.47Å; L272-L276 PolarHBondContact O-N 3.41Å
273Q98.5Very high97.8Very high74 Ų7441.9 Ų41.935%0.34623%0.233SC..Hα-helixtrans-63.2-40.4175.7-69.6-164.745.700112.2A54 N269 L271 L276 A277A54-Q273 HydrophobicContact CB-CG 3.95Å; A54-Q273 PolarHBondContact O-NE2 2.98Å; N269-Q273 WeakPolarHBondContact O-CG 3.19Å; N269-Q273 PolarHBondContact O-N 2.88Å; N269-Q273 PolarHBondContact OD1-NE2 3Å; L271-Q273 VanDerWaalsContact C-N 3.33Å; L271-Q273 PolarHBondContact O-N 3.09Å; Q273-L276 PolarHBondContact O-N 2.7Å; Q273-A277 VanDerWaalsContact O-CB 3.24Å; Q273-A277 WeakPolarHBondContact O-CB 3.34Å; Q273-A277 PolarHBondContact O-N 3.27Å
274A98.4Very high97.9Very high35 Ų3546.8 Ų46.829%0.28925%0.251SS..Hα-helixtrans-63.7-41177.400000112.4V136 V138 K270 L271 L272 K278V136-A274 HydrophobicContact CG1-CB 4Å; V138-A274 HydrophobicContact CG1-CB 3.77Å; K270-A274 WeakPolarHBondContact O-CB 3.4Å; K270-A274 PolarHBondContact O-N 2.8Å; L271-A274 PolarHBondContact O-N 3.34Å; L271-A274 VanDerWaalsContact O-N 3.14Å; L272-A274 PolarHBondContact O-N 2.99Å; A274-K278 PolarHBondContact O-N 2.99Å
275V98.3Very high97.9Very high1 Ų146.2 Ų46.21%0.00624%0.242CC..Hα-helixtrans-60.8-53172.2170.30000109.9I132 V136 F147 L271 L272 A277 K278 W282I132-V275 HydrophobicContact CD1-CG1 3.71Å; V136-V275 HydrophobicContact CB-CG2 3.77Å; V136-V275 HydrophobicContact CG1-CG2 3.9Å; V136-V275 HydrophobicContact CG2-CG2 4.03Å; F147-V275 HydrophobicContact CB-CG2 4.41Å; F147-V275 HydrophobicContact CD2-CG2 3.82Å; L271-V275 HydrophobicContact CD1-CG2 4.35Å; L271-V275 WeakPolarHBondContact O-CG2 3.36Å; L271-V275 PolarHBondContact O-N 3.49Å; L272-V275 PolarHBondContact O-N 2.88Å; V275-A277 VanDerWaalsContact C-N 3.26Å; V275-A277 PolarHBondContact O-N 3.42Å; V275-K278 CarbonylContact O-C 3.5Å; V275-K278 PolarHBondContact O-N 2.89Å; V275-W282 HydrophobicContact CG1-CB 4.11Å; V275-W282 HydrophobicContact CG1-CG 4.16Å; V275-W282 PolarHBondContact O-NE1 2.73Å
276L97.5Very high97.8Very high46 Ų4648.7 Ų48.724%0.24126%0.258CS..Hα-helixtrans-64.2-31.2-175.7-67.9175.9000113A54 C250 L272 Q273 K278 W282A54-L276 HydrophobicContact CB-CD1 4.05Å; C250-L276 HydrophobicContact CB-CD1 4.07Å; C250-L276 HydrophobicContact CB-CD2 4.42Å; L272-L276 HydrophobicContact CD1-CD1 4.48Å; L272-L276 HydrophobicContact CG-CD1 4.14Å; L272-L276 WeakPolarHBondContact O-CB 3.45Å; L272-L276 VanDerWaalsContact O-CG 3.27Å; L272-L276 WeakPolarHBondContact O-CG 3.47Å; L272-L276 PolarHBondContact O-N 3.41Å; Q273-L276 PolarHBondContact O-N 2.7Å; L276-K278 VanDerWaalsContact C-N 3.34Å; L276-W282 HydrophobicContact CD2-CD2 4.33Å; L276-W282 HydrophobicContact CD2-CH2 4.32Å; L276-W282 HydrophobicContact CD2-CZ2 3.82Å; L276-W282 PolarHBondContact O-NE1 2.88Å
277A97.6Very high97.6Very high89 Ų8946.7 Ų46.774%0.73624%0.239SC*.Hα-helixtrans-72.9-23.9175.600000113.4Q273 V275Q273-A277 VanDerWaalsContact O-CB 3.24Å; Q273-A277 WeakPolarHBondContact O-CB 3.34Å; Q273-A277 PolarHBondContact O-N 3.27Å; V275-A277 VanDerWaalsContact C-N 3.26Å; V275-A277 PolarHBondContact O-N 3.42Å
278K97.4Very high97.1Very high86 Ų8652.1 Ų52.137%0.37426%0.264SS..  trans-9888.6178.1-170.3175-178.2-160.80109.9E134 V136 A274 V275 L276 E280 A281E134-K278 WeakPolarHBondContact OE2-CE 3.32Å; E134-K278 IonicContact OE2-NZ 4Å; E134-K278 PolarHBondContact OE2-NZ 2.84Å; V136-K278 HydrophobicContact CG2-CD 4.5Å; A274-K278 PolarHBondContact O-N 2.99Å; V275-K278 CarbonylContact O-C 3.5Å; V275-K278 PolarHBondContact O-N 2.89Å; L276-K278 VanDerWaalsContact C-N 3.34Å; K278-E280 PolarHBondContact O-N 2.97Å; K278-E280 VanDerWaalsContact O-N 3.11Å; K278-A281 HydrophobicContact CB-CB 3.96Å; K278-A281 HydrophobicContact CD-CB 3.88Å; K278-A281 HydrophobicContact CG-CB 3.82Å; K278-A281 WeakPolarHBondContact O-CB 3.43Å; K278-A281 PolarHBondContact O-N 2.86Å
279Q94.9Very high96.4Very high117 Ų11756.4 Ų56.455%0.54729%0.287SS..G310 helixtrans-57.8-29.2-172.8-173.857.973.100113.8A281Q279-A281 VanDerWaalsContact C-N 3.31Å
280E97.1Very high95.5Very high125 Ų12560.6 Ų60.658%0.58431%0.309SS*.G310 helixtrans-73.8-23.4177-56.679.3-171.700112.8K278 W282K278-E280 PolarHBondContact O-N 2.97Å; K278-E280 VanDerWaalsContact O-N 3.11Å; E280-W282 VanDerWaalsContact C-N 3.27Å; E280-W282 PolarHBondContact O-N 2.88Å
281A97.5Very high94.5Very high0 Ų059.6 Ų59.60%032%0.321CS..G310 helixtrans-77.8-10.5-176.100000113.6K133 E134 V136 K278 Q279K133-A281 PolarHBondContact N-O 2.89Å; E134-A281 HydrophobicContact CB-CB 4.1Å; E134-A281 PolarHBondContact N-O 3.44Å; V136-A281 HydrophobicContact CG2-CB 3.66Å; K278-A281 HydrophobicContact CB-CB 3.96Å; K278-A281 HydrophobicContact CD-CB 3.88Å; K278-A281 HydrophobicContact CG-CB 3.82Å; K278-A281 WeakPolarHBondContact O-CB 3.43Å; K278-A281 PolarHBondContact O-N 2.86Å; Q279-A281 VanDerWaalsContact C-N 3.31Å
282W98.4Very high93.6Very high19 Ų1965.1 Ų65.17%0.07235%0.346CS..EExtended strand (participates in β ladder)trans-152.4161.6-179.572-80.5000113.2V130 R131 I132 V275 L276 E280 Y284V130-W282 HydrophobicContact CB-CE3 4.48Å; V130-W282 HydrophobicContact CG1-CB 4.18Å; V130-W282 HydrophobicContact CG1-CD2 4.27Å; V130-W282 HydrophobicContact CG1-CE3 3.85Å; V130-W282 HydrophobicContact CG1-CG 4.44Å; V130-W282 HydrophobicContact CG2-CE3 4.2Å; V130-W282 HydrophobicContact CG2-CZ3 4.18Å; R131-W282 CarbonylContact O-C 3.2Å; R131-W282 WeakPolarHBondContact O-CA 3.48Å; R131-W282 WeakPolarHBondContact O-CB 3.47Å; I132-W282 HydrophobicContact CD1-CB 4.49Å; V275-W282 HydrophobicContact CG1-CB 4.11Å; V275-W282 HydrophobicContact CG1-CG 4.16Å; V275-W282 PolarHBondContact O-NE1 2.73Å; L276-W282 HydrophobicContact CD2-CD2 4.33Å; L276-W282 HydrophobicContact CD2-CH2 4.32Å; L276-W282 HydrophobicContact CD2-CZ2 3.82Å; L276-W282 PolarHBondContact O-NE1 2.88Å; E280-W282 VanDerWaalsContact C-N 3.27Å; E280-W282 PolarHBondContact O-N 2.88Å; W282-Y284 HydrophobicContact CH2-CD2 4.08Å; W282-Y284 HydrophobicContact CH2-CE1 4.15Å; W282-Y284 AromaticContact CH2-CE2 3.5Å; W282-Y284 HydrophobicContact CH2-CE2 3.5Å; W282-Y284 AromaticContact CH2-CZ 3.54Å; W282-Y284 AromaticContact CZ3-CD1 3.82Å; W282-Y284 HydrophobicContact CZ3-CD1 3.82Å; W282-Y284 AromaticContact CZ3-CD2 3.74Å; W282-Y284 HydrophobicContact CZ3-CD2 3.74Å; W282-Y284 AromaticContact CZ3-CE1 3.62Å; W282-Y284 HydrophobicContact CZ3-CE1 3.62Å; W282-Y284 AromaticContact CZ3-CE2 3.56Å; W282-Y284 HydrophobicContact CZ3-CE2 3.56Å; W282-Y284 AromaticContact CZ3-CG 3.87Å; W282-Y284 HydrophobicContact CZ3-CG 3.87Å; W282-Y284 AromaticContact CZ3-CZ 3.49Å; W282-Y284 VanDerWaalsContact CZ3-CZ 3.49Å
283E98.2Very high92.8Very high62 Ų6265.4 Ų65.429%0.2935%0.348SS..EExtended strand (participates in β ladder)trans-144.9156.3172.368.3-168.2176.200111.1R131 K133 V285R131-E283 HydrophobicContact CB-CG 4.2Å; R131-E283 PolarHBondContact N-O 2.91Å; R131-E283 IonicContact NH1-OE1 3.29Å; R131-E283 PolarHBondContact O-N 3.06Å; K133-E283 HydrophobicContact CD-CB 3.98Å; K133-E283 HydrophobicContact CD-CG 3.84Å; K133-E283 HydrophobicContact CG-CG 4.33Å; K133-E283 IonicContact NZ-OE2 2.76Å; K133-E283 PolarHBondContact NZ-OE2 3.28Å; E283-V285 HydrophobicContact CG-CG1 3.68Å
284Y97.8Very high92Very high111 Ų11162.1 Ų62.144%0.43533%0.333SS..EExtended strand (participates in β ladder)trans-78.7131.7165.6-72.6-58000110.4K128 F129 V130 H252 W282K128-Y284 HydrophobicContact CB-CD1 4.25Å; K128-Y284 HydrophobicContact CD-CD1 4.48Å; K128-Y284 HydrophobicContact CD-CG 4.43Å; F129-Y284 WeakPolarHBondContact O-CA 3.47Å; V130-Y284 HydrophobicContact CG2-CD1 4.11Å; V130-Y284 HydrophobicContact CG2-CE1 3.72Å; H252-Y284 AromaticContact CD2-CE1 3.44Å; H252-Y284 VanDerWaalsContact CD2-CE1 3.44Å; H252-Y284 WeakPolarHBondContact CD2-CE1 3.36Å; H252-Y284 AromaticContact NE2-CE1 3.67Å; W282-Y284 HydrophobicContact CH2-CD2 4.08Å; W282-Y284 HydrophobicContact CH2-CE1 4.15Å; W282-Y284 AromaticContact CH2-CE2 3.5Å; W282-Y284 HydrophobicContact CH2-CE2 3.5Å; W282-Y284 AromaticContact CH2-CZ 3.54Å; W282-Y284 AromaticContact CZ3-CD1 3.82Å; W282-Y284 HydrophobicContact CZ3-CD1 3.82Å; W282-Y284 AromaticContact CZ3-CD2 3.74Å; W282-Y284 HydrophobicContact CZ3-CD2 3.74Å; W282-Y284 AromaticContact CZ3-CE1 3.62Å; W282-Y284 HydrophobicContact CZ3-CE1 3.62Å; W282-Y284 AromaticContact CZ3-CE2 3.56Å; W282-Y284 HydrophobicContact CZ3-CE2 3.56Å; W282-Y284 AromaticContact CZ3-CG 3.87Å; W282-Y284 HydrophobicContact CZ3-CG 3.87Å; W282-Y284 AromaticContact CZ3-CZ 3.49Å; W282-Y284 VanDerWaalsContact CZ3-CZ 3.49Å
285V96.9Very high90.9Very high16 Ų1667.3 Ų67.310%0.09736%0.355CS..EExtended strand (participates in β ladder)trans-127.5150174-56.50000111.4K128 F129 R131 I255 E283 F287K128-V285 CarbonylContact C-O 3.58Å; K128-V285 WeakPolarHBondContact CA-O 2.82Å; F129-V285 HydrophobicContact CB-CG2 3.89Å; F129-V285 PolarHBondContact N-O 3.42Å; F129-V285 PolarHBondContact O-N 2.99Å; R131-V285 HydrophobicContact CB-CG1 3.96Å; R131-V285 HydrophobicContact CB-CG2 4.01Å; I255-V285 HydrophobicContact CD1-CG2 3.81Å; E283-V285 HydrophobicContact CG-CG1 3.68Å; V285-F287 HydrophobicContact CG2-CE2 3.82Å; V285-F287 HydrophobicContact CG2-CZ 3.99Å
286T96.1Very high89.9Confident64 Ų6467.7 Ų67.739%0.39336%0.358SS..  trans-131.5148.9174.662.90000108A126 K127 K128A126-T286 HydrophobicContact CB-CG2 4.01Å; K127-T286 WeakPolarHBondContact O-CG2 3.17Å; K128-T286 HydrophobicContact CG-CG2 3.85Å
287F93.7Very high89.1Confident12 Ų1266.5 Ų66.55%0.05335%0.351CS..  trans-118139.1-178.4-60.4-89.4000111.1I2 F129 I255 V285 E292 L293 P294I2-F287 HydrophobicContact CG1-CB 3.68Å; I2-F287 PolarHBondContact N-O 2.97Å; F129-F287 AromaticContact CD2-CD2 3.88Å; F129-F287 HydrophobicContact CD2-CD2 3.88Å; F129-F287 AromaticContact CD2-CE2 3.79Å; F129-F287 HydrophobicContact CD2-CE2 3.79Å; F129-F287 AromaticContact CE2-CD2 3.85Å; F129-F287 HydrophobicContact CE2-CD2 3.85Å; F129-F287 HydrophobicContact CE2-CE2 4.11Å; F129-F287 HydrophobicContact CG-CE2 4.34Å; I255-F287 HydrophobicContact CD1-CE2 3.66Å; I255-F287 HydrophobicContact CD1-CZ 3.72Å; V285-F287 HydrophobicContact CG2-CE2 3.82Å; V285-F287 HydrophobicContact CG2-CZ 3.99Å; F287-E292 HydrophobicContact CD1-CB 3.75Å; F287-E292 WeakPolarHBondContact CD1-O 3.48Å; F287-E292 WeakPolarHBondContact CE1-O 3.44Å; F287-L293 HydrophobicContact CD2-CD1 3.56Å; F287-L293 HydrophobicContact CE2-CD1 3.87Å; F287-L293 HydrophobicContact CG-CD1 4.16Å; F287-P294 HydrophobicContact CZ-CG 4.42Å
288Q88.1Confident88Confident121 Ų12166.4 Ų66.457%0.56533%0.334SS*.SBendtrans-86.2-30.1178.6-68.7-59.1-25.700111.9M1 E292M1-Q288 WeakPolarHBondContact CA-O 3.48Å; M1-Q288 PolarHBondContact N-O 2.66Å; Q288-E292 PolarHBondContact N-OE2 2.93Å
289D84Confident86.5Confident92 Ų9265.2 Ų65.249%0.49234%0.34SS..SBendtrans-127.3146.5-177.8-159.4-52.3000111.4A291 E292 L293D289-A291 HydrophobicContact CB-CB 4.4Å; D289-A291 PolarHBondContact O-N 3.38Å; D289-A291 WeakPolarHBondContact OD1-CB 3.22Å; D289-A291 PolarHBondContact OD1-N 3.5Å; D289-E292 HydrophobicContact CB-CG 4.32Å; D289-E292 PolarHBondContact O-N 3.3Å; D289-E292 VanDerWaalsContact O-N 3.07Å; D289-L293 PolarHBondContact O-N 3.07Å
290D80Confident84.9Confident98 Ų9860.9 Ų60.952%0.52432%0.322SS..THydrogen-bonded Turntrans-58.8-24.3169.8-76.6-12.3000112I2 E292 L293 K298I2-D290 WeakPolarHBondContact CD1-OD1 3.49Å; D290-E292 VanDerWaalsContact C-N 3.32Å; D290-L293 PolarHBondContact O-N 3.24Å; D290-K298 WeakPolarHBondContact O-CE 3.41Å
291A77.9Confident82.9Confident82 Ų8261.2 Ų61.268%0.67834%0.338SS*.THydrogen-bonded Turntrans-67.5-30.4174.600000113D289D289-A291 HydrophobicContact CB-CB 4.4Å; D289-A291 PolarHBondContact O-N 3.38Å; D289-A291 WeakPolarHBondContact OD1-CB 3.22Å; D289-A291 PolarHBondContact OD1-N 3.5Å
292E79.3Confident80.3Confident115 Ų11565.3 Ų65.354%0.53737%0.372SS..THydrogen-bonded Turntrans-87.2-23.4177.9-58.4177.7157.400112.1F287 Q288 D289 D290F287-E292 HydrophobicContact CD1-CB 3.75Å; F287-E292 WeakPolarHBondContact CD1-O 3.48Å; F287-E292 WeakPolarHBondContact CE1-O 3.44Å; Q288-E292 PolarHBondContact N-OE2 2.93Å; D289-E292 HydrophobicContact CB-CG 4.32Å; D289-E292 PolarHBondContact O-N 3.3Å; D289-E292 VanDerWaalsContact O-N 3.07Å; D290-E292 VanDerWaalsContact C-N 3.32Å
293L82.1Confident77.5Confident8 Ų867.8 Ų67.84%0.04239%0.389CS..SBendtrans-68.6129.7179.7-17368.9000110I2 F129 F287 D289 D290 L295 F297I2-L293 HydrophobicContact CD1-CB 4.19Å; I2-L293 HydrophobicContact CD1-CD2 3.84Å; I2-L293 HydrophobicContact CD1-CG 4.48Å; I2-L293 HydrophobicContact CG1-CB 4.27Å; I2-L293 HydrophobicContact CG1-CD1 4.2Å; I2-L293 HydrophobicContact CG1-CD2 4.1Å; I2-L293 HydrophobicContact CG1-CG 4.42Å; I2-L293 HydrophobicContact CG2-CD2 4.32Å; F129-L293 HydrophobicContact CE1-CD1 4.21Å; F129-L293 HydrophobicContact CE2-CD1 3.78Å; F129-L293 HydrophobicContact CZ-CD1 3.51Å; F287-L293 HydrophobicContact CD2-CD1 3.56Å; F287-L293 HydrophobicContact CE2-CD1 3.87Å; F287-L293 HydrophobicContact CG-CD1 4.16Å; D289-L293 PolarHBondContact O-N 3.07Å; D290-L293 PolarHBondContact O-N 3.24Å; L293-L295 PolarHBondContact O-N 2.84Å; L293-F297 HydrophobicContact CD1-CB 3.85Å; L293-F297 HydrophobicContact CD2-CB 3.74Å; L293-F297 WeakPolarHBondContact CD2-O 2.99Å; L293-F297 HydrophobicContact CG-CB 3.86Å
294P81.1Confident74.3Confident6 Ų673.4 Ų73.44%0.03942%0.421CS..  trans-55140.8173.9-2332.4000110.7I255 F287 A296 F297I255-P294 HydrophobicContact CD1-CG 4.3Å; I255-P294 HydrophobicContact CG2-CG 4.48Å; F287-P294 HydrophobicContact CZ-CG 4.42Å; P294-A296 PolarHBondContact O-N 3.43Å; P294-F297 HydrophobicContact CB-CD2 4.22Å; P294-F297 HydrophobicContact CG-CD2 4.39Å; P294-F297 PolarHBondContact O-N 2.71Å
295L76.2Confident71.2Confident144 Ų14476.2 Ų76.275%0.75447%0.467SS*.G310 helixtrans-49.1-30.2-177.7-91.1113.1000113.3L293 F297 K298L293-L295 PolarHBondContact O-N 2.84Å; L295-F297 PolarHBondContact O-N 3.3Å; L295-F297 VanDerWaalsContact O-N 3.14Å; L295-K298 PolarHBondContact O-N 2.74Å
296A75.3Confident69.9Low9 Ų979.3 Ų79.37%0.07449%0.485CS..G310 helixtrans-55.6-25.3177.800000115.3F153 F177 S178 P294F153-A296 HydrophobicContact CB-CB 4.4Å; F177-A296 HydrophobicContact CD1-CB 4.35Å; F177-A296 WeakPolarHBondContact O-CA 3.45Å; F177-A296 WeakPolarHBondContact O-CB 3.32Å; S178-A296 WeakPolarHBondContact CA-O 3.38Å; P294-A296 PolarHBondContact O-N 3.43Å
297F82Confident68.5Low21 Ų2180.1 Ų80.19%0.09249%0.49CS..G310 helixtrans-1155.4-172.6-58.5-66.2000113.8F129 F153 F177 N253 I254 I255 L293 P294 L295F129-F297 HydrophobicContact CD1-CD1 4.48Å; F129-F297 HydrophobicContact CD1-CD2 4.27Å; F129-F297 HydrophobicContact CD1-CE2 4.43Å; F129-F297 HydrophobicContact CD1-CG 4.3Å; F129-F297 HydrophobicContact CE1-CB 3.89Å; F129-F297 AromaticContact CE1-CD1 3.84Å; F129-F297 HydrophobicContact CE1-CD1 3.84Å; F129-F297 AromaticContact CE1-CD2 3.91Å; F129-F297 HydrophobicContact CE1-CD2 3.91Å; F129-F297 HydrophobicContact CE1-CE1 4.39Å; F129-F297 HydrophobicContact CE1-CE2 4.46Å; F129-F297 AromaticContact CE1-CG 3.57Å; F129-F297 HydrophobicContact CE1-CG 3.57Å; F129-F297 HydrophobicContact CZ-CB 4.19Å; F129-F297 HydrophobicContact CZ-CG 4.34Å; F153-F297 HydrophobicContact CB-CE2 4.27Å; F153-F297 HydrophobicContact CB-CZ 3.74Å; F153-F297 HydrophobicContact CG-CZ 4.45Å; F177-F297 HydrophobicContact CD1-CE1 4.16Å; F177-F297 HydrophobicContact CE1-CD1 4.41Å; F177-F297 HydrophobicContact CE1-CE1 4.08Å; N253-F297 HydrophobicContact CB-CD1 4.12Å; N253-F297 HydrophobicContact CB-CE1 3.65Å; N253-F297 HydrophobicContact CB-CZ 4.26Å; I254-F297 VanDerWaalsContact O-CZ 3.29Å; I254-F297 WeakPolarHBondContact O-CZ 3.34Å; I255-F297 HydrophobicContact CG1-CD2 4.38Å; I255-F297 HydrophobicContact CG1-CE2 3.7Å; I255-F297 HydrophobicContact CG1-CZ 4.4Å; L293-F297 HydrophobicContact CD1-CB 3.85Å; L293-F297 HydrophobicContact CD2-CB 3.74Å; L293-F297 WeakPolarHBondContact CD2-O 2.99Å; L293-F297 HydrophobicContact CG-CB 3.86Å; P294-F297 HydrophobicContact CB-CD2 4.22Å; P294-F297 HydrophobicContact CG-CD2 4.39Å; P294-F297 PolarHBondContact O-N 2.71Å; L295-F297 PolarHBondContact O-N 3.3Å; L295-F297 VanDerWaalsContact O-N 3.14Å
298K73.9Confident67.1Low87 Ų8783.8 Ų83.838%0.37851%0.514SS..SBendtrans-62.3145.6172.9-68.2-170.8175.3-169.50110.1D290 L295D290-K298 WeakPolarHBondContact O-CE 3.41Å; L295-K298 PolarHBondContact O-N 2.74Å
299A66.1Low65.9Low60 Ų6081.6 Ų81.650%0.49651%0.511SS..PPolyproline II helixtrans-56.4141177.300000110.6S301A299-S301 PolarHBondContact O-N 2.89Å
300P61.2Low64.8Low27 Ų2781 Ų8118%0.17551%0.513CS..PPolyproline II helixtrans-61.5135175.715.4-19.3000110.4A179 M183 A302 V303A179-P300 HydrophobicContact CB-CB 4.06Å; A179-P300 HydrophobicContact CB-CG 3.89Å; M183-P300 HydrophobicContact CE-CB 3.93Å; M183-P300 HydrophobicContact CE-CG 4.34Å; P300-A302 PolarHBondContact O-N 2.61Å; P300-V303 HydrophobicContact CB-CG2 4.4Å; P300-V303 HydrophobicContact CG-CG2 4Å
301S55.2Low63.7Low131 Ų13179.9 Ų79.992%0.91651%0.512SS*.THydrogen-bonded Turntrans-64.6-2.9-172.5-35.20000115.2A299A299-S301 PolarHBondContact O-N 2.89Å
302A43.3Very low62.7Low87 Ų8779.7 Ų79.772%0.71950%0.5SS*.THydrogen-bonded Turntrans-145.938.1-162.700000115.6P300P300-A302 PolarHBondContact O-N 2.61Å
303V40.2Very low61.5Low70 Ų7077 Ų7742%0.42450%0.497SS..  trans-108.931.7166.5-161.40000111.5L116 P300L116-V303 HydrophobicContact CD2-CG1 3.8Å; L116-V303 HydrophobicContact CD2-CG2 3.95Å; P300-V303 HydrophobicContact CB-CG2 4.4Å; P300-V303 HydrophobicContact CG-CG2 4Å
304L30Very low59.7Low181 Ų18182.8 Ų82.895%0.94854%0.535SS*.  trans-123.574.6165.8-73.3170.1000108.3
305A32.3Very low57.8Low170 Ų17089.7 Ų89.7100%1.40558%0.58SS**  trans-137.90156.700000106.6

Retrieved 305 of 305 residues in 310.5 ms (Link to these results)

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