G4VFG9_SCHMA Loading...

DUF115 domain-containing protein

AlphaFold DB , UniProt , Accession G4VFG9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 240 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
1M58.4Low82.2Confident237 Ų23762.7 Ų62.7100%1.16731%0.311SS*.  0115.10-162.5173.4108.300106.5
2Y67.4Low82.9Confident36 Ų3662.1 Ų62.114%0.14131%0.309CS..  trans-66.3147.9-178.7-64.8-77000110.9E6 D74 F148 P171Y2-E6 WeakPolarHBondContact CA-OE2 3.36Å; Y2-E6 WeakPolarHBondContact CD1-OE2 3.48Å; Y2-D74 HydrophobicContact CE2-CB 3.88Å; Y2-D74 VanDerWaalsContact CE2-OD1 3.22Å; Y2-D74 WeakPolarHBondContact CE2-OD1 3.44Å; Y2-D74 PolarHBondContact OH-OD1 3.3Å; Y2-D74 VanDerWaalsContact OH-OD1 3.12Å; Y2-F148 HydrophobicContact CD2-CD1 4.45Å; Y2-F148 HydrophobicContact CD2-CE1 4.19Å; Y2-F148 HydrophobicContact CE1-CD1 4.05Å; Y2-F148 HydrophobicContact CE1-CE1 4.27Å; Y2-F148 AromaticContact CE2-CD1 3.58Å; Y2-F148 HydrophobicContact CE2-CD1 3.58Å; Y2-F148 AromaticContact CE2-CE1 3.76Å; Y2-F148 HydrophobicContact CE2-CE1 3.76Å; Y2-F148 AromaticContact CZ-CD1 3.37Å; Y2-F148 AromaticContact CZ-CE1 3.84Å; Y2-F148 WeakPolarHBondContact OH-CD1 3.4Å; Y2-P171 HydrophobicContact CD1-CB 4.24Å; Y2-P171 HydrophobicContact CE1-CB 3.55Å
3D76.8Confident83.6Confident89 Ų8957.5 Ų57.548%0.47629%0.287SS..  trans-67.9150.6174.1-177.933000110.4T5 E6 V7D3-T5 PolarHBondContact O-N 3.15Å; D3-T5 VanDerWaalsContact OD2-CB 3.24Å; D3-T5 WeakPolarHBondContact OD2-CB 3.24Å; D3-T5 PolarHBondContact OD2-OG1 2.93Å; D3-E6 HydrophobicContact CB-CG 4.31Å; D3-E6 PolarHBondContact N-OE2 3.14Å; D3-E6 WeakPolarHBondContact O-CB 3.33Å; D3-E6 PolarHBondContact O-N 3.04Å; D3-V7 PolarHBondContact O-N 3.27Å; D3-V7 VanDerWaalsContact O-N 3.1Å
4Q81.8Confident84.2Confident136 Ų13653.7 Ų53.764%0.63627%0.268SS*.Hα-helixtrans-57.8-34.6178.1-175.4172.4-5.200111.5V7 E8Q4-V7 PolarHBondContact O-N 3.48Å; Q4-E8 WeakPolarHBondContact O-CB 3.43Å; Q4-E8 PolarHBondContact O-N 3.36Å
5T82.4Confident84.6Confident63 Ų6350.9 Ų50.939%0.38725%0.254SS..Hα-helixtrans-63.3-40.8175.9-40.90000112.3D3 F9 F203D3-T5 PolarHBondContact O-N 3.15Å; D3-T5 VanDerWaalsContact OD2-CB 3.24Å; D3-T5 WeakPolarHBondContact OD2-CB 3.24Å; D3-T5 PolarHBondContact OD2-OG1 2.93Å; T5-F9 WeakPolarHBondContact O-CB 3.37Å; T5-F9 PolarHBondContact O-N 3.04Å; T5-F203 HydrophobicContact CG2-CB 3.62Å; T5-F203 HydrophobicContact CG2-CD1 4.3Å; T5-F203 HydrophobicContact CG2-CG 4.01Å
6E84.8Confident85Confident35 Ų3550.1 Ų50.116%0.16426%0.255CS..Hα-helixtrans-65.5-46.5177.2-73.4175.1152.800111Y2 D3 E8 F9 L10 F203Y2-E6 WeakPolarHBondContact CA-OE2 3.36Å; Y2-E6 WeakPolarHBondContact CD1-OE2 3.48Å; D3-E6 HydrophobicContact CB-CG 4.31Å; D3-E6 PolarHBondContact N-OE2 3.14Å; D3-E6 WeakPolarHBondContact O-CB 3.33Å; D3-E6 PolarHBondContact O-N 3.04Å; E6-E8 PolarHBondContact O-N 3.34Å; E6-F9 WeakPolarHBondContact O-CB 3.32Å; E6-F9 PolarHBondContact O-N 3.42Å; E6-L10 WeakPolarHBondContact O-CG 3.29Å; E6-L10 PolarHBondContact O-N 2.61Å; E6-F203 HydrophobicContact CB-CE2 4.41Å; E6-F203 HydrophobicContact CB-CZ 4.28Å; E6-F203 HydrophobicContact CG-CD2 4.04Å; E6-F203 HydrophobicContact CG-CE1 4.5Å; E6-F203 HydrophobicContact CG-CE2 3.23Å; E6-F203 HydrophobicContact CG-CZ 3.5Å; E6-F203 VanDerWaalsContact CG-CZ 3.5Å
7V88.9Confident85.3Confident9 Ų947.9 Ų47.96%0.05524%0.244CC..Hα-helixtrans-61.1-46.2178.3174.80000110.8D3 Q4 F9 L10 V11 P77 Y81D3-V7 PolarHBondContact O-N 3.27Å; D3-V7 VanDerWaalsContact O-N 3.1Å; Q4-V7 PolarHBondContact O-N 3.48Å; V7-F9 VanDerWaalsContact C-N 3.34Å; V7-F9 PolarHBondContact O-N 2.83Å; V7-L10 PolarHBondContact O-N 2.89Å; V7-V11 WeakPolarHBondContact O-CB 3.42Å; V7-V11 WeakPolarHBondContact O-CG2 3.33Å; V7-V11 PolarHBondContact O-N 2.87Å; V7-P77 WeakPolarHBondContact CG1-O 3.42Å; V7-P77 HydrophobicContact CG2-CB 4.06Å; V7-Y81 HydrophobicContact CG1-CD1 4.4Å; V7-Y81 HydrophobicContact CG1-CD2 4.34Å; V7-Y81 HydrophobicContact CG1-CG 3.86Å
8E89.6Confident85.5Confident70 Ų7046.1 Ų46.133%0.32724%0.235SC..Hα-helixtrans-61.2-42.8176.8174.7160.3-170.200111.8Q4 E6 V11 N12 Y81 K86Q4-E8 WeakPolarHBondContact O-CB 3.43Å; Q4-E8 PolarHBondContact O-N 3.36Å; E6-E8 PolarHBondContact O-N 3.34Å; E8-V11 PolarHBondContact O-N 3.16Å; E8-N12 VanDerWaalsContact CG-ND2 3.32Å; E8-N12 WeakPolarHBondContact CG-ND2 3.39Å; E8-N12 WeakPolarHBondContact O-CB 3.46Å; E8-N12 VanDerWaalsContact O-CG 3.27Å; E8-N12 PolarHBondContact O-N 3.32Å; E8-N12 PolarHBondContact O-ND2 3.26Å; E8-Y81 HydrophobicContact CB-CE1 4.15Å; E8-Y81 HydrophobicContact CB-CE2 4.35Å; E8-Y81 HydrophobicContact CG-CE1 4.29Å; E8-Y81 VanDerWaalsContact CG-OH 3.29Å; E8-Y81 WeakPolarHBondContact CG-OH 3.21Å; E8-Y81 PolarHBondContact OE1-OH 3.06Å; E8-Y81 PolarHBondContact OE2-OH 2.97Å; E8-Y81 VanDerWaalsContact OE2-OH 3.12Å; E8-K86 IonicContact OE1-NZ 2.71Å
9F89.3Confident85.5Confident15 Ų1549.9 Ų49.97%0.06625%0.249CC..Hα-helixtrans-58.9-51.1176.1171.9-95.6000111.8T5 E6 V7 V11 N12 L13 I196 L198 F203 F207 I211T5-F9 WeakPolarHBondContact O-CB 3.37Å; T5-F9 PolarHBondContact O-N 3.04Å; E6-F9 WeakPolarHBondContact O-CB 3.32Å; E6-F9 PolarHBondContact O-N 3.42Å; V7-F9 VanDerWaalsContact C-N 3.34Å; V7-F9 PolarHBondContact O-N 2.83Å; F9-V11 VanDerWaalsContact C-N 3.31Å; F9-V11 PolarHBondContact O-N 3.41Å; F9-N12 PolarHBondContact O-N 3.33Å; F9-L13 HydrophobicContact CE1-CD2 4.32Å; F9-L13 WeakPolarHBondContact O-CB 3.32Å; F9-L13 PolarHBondContact O-N 2.87Å; F9-I196 HydrophobicContact CZ-CD1 4.44Å; F9-L198 HydrophobicContact CD1-CD1 4.19Å; F9-L198 HydrophobicContact CD1-CD2 3.99Å; F9-L198 HydrophobicContact CE1-CD1 4.48Å; F9-L198 HydrophobicContact CE1-CD2 3.7Å; F9-L198 HydrophobicContact CZ-CD2 4.49Å; F9-F203 HydrophobicContact CB-CD1 4.43Å; F9-F203 HydrophobicContact CB-CE1 3.89Å; F9-F203 HydrophobicContact CD1-CE1 4.1Å; F9-F203 HydrophobicContact CD2-CE1 4.33Å; F9-F203 AromaticContact CG-CE1 3.84Å; F9-F203 HydrophobicContact CG-CE1 3.84Å; F9-F207 HydrophobicContact CE2-CE1 4.07Å; F9-F207 HydrophobicContact CZ-CE1 4.17Å; F9-I211 HydrophobicContact CE2-CB 3.91Å; F9-I211 HydrophobicContact CE2-CG1 3.81Å; F9-I211 HydrophobicContact CE2-CG2 3.68Å; F9-I211 HydrophobicContact CZ-CB 4.35Å; F9-I211 HydrophobicContact CZ-CG1 4Å; F9-I211 HydrophobicContact CZ-CG2 3.86Å
10L92.2Very high85.1Confident0 Ų048.5 Ų48.50%024%0.244CC..Hα-helixtrans-59.5-43.2-180-70.3175000111.5E6 V7 L13 I14 I146 F148 V169 P171 L198E6-L10 WeakPolarHBondContact O-CG 3.29Å; E6-L10 PolarHBondContact O-N 2.61Å; V7-L10 PolarHBondContact O-N 2.89Å; L10-L13 WeakPolarHBondContact O-CB 3.32Å; L10-L13 PolarHBondContact O-N 2.94Å; L10-I14 WeakPolarHBondContact O-CG1 3.37Å; L10-I14 PolarHBondContact O-N 3.25Å; L10-I146 HydrophobicContact CD2-CD1 4.15Å; L10-I146 HydrophobicContact CD2-CG1 4.41Å; L10-I146 HydrophobicContact CD2-CG2 4.14Å; L10-F148 HydrophobicContact CD1-CE1 3.78Å; L10-F148 HydrophobicContact CD1-CZ 3.8Å; L10-V169 HydrophobicContact CD2-CB 4.43Å; L10-V169 HydrophobicContact CD2-CG1 3.7Å; L10-P171 HydrophobicContact CD1-CG 4.15Å; L10-P171 HydrophobicContact CD2-CG 4.49Å; L10-L198 HydrophobicContact CD1-CD1 4.35Å; L10-L198 HydrophobicContact CD2-CD1 3.78Å; L10-L198 HydrophobicContact CG-CD1 4.05Å
11V93.1Very high84.1Confident0 Ų049.1 Ų49.10%025%0.246CC..Hα-helixtrans-66.5-42.8178.4167.80000111.9V7 E8 F9 L13 I14 I15 C78 Y81 A82 K86 I90V7-V11 WeakPolarHBondContact O-CB 3.42Å; V7-V11 WeakPolarHBondContact O-CG2 3.33Å; V7-V11 PolarHBondContact O-N 2.87Å; E8-V11 PolarHBondContact O-N 3.16Å; F9-V11 VanDerWaalsContact C-N 3.31Å; F9-V11 PolarHBondContact O-N 3.41Å; V11-L13 VanDerWaalsContact C-N 3.3Å; V11-L13 PolarHBondContact O-N 3.25Å; V11-I14 WeakPolarHBondContact O-CB 3.49Å; V11-I14 PolarHBondContact O-N 3.15Å; V11-I15 HydrophobicContact CG1-CD1 3.95Å; V11-I15 WeakPolarHBondContact O-CG1 3.49Å; V11-I15 PolarHBondContact O-N 3.3Å; V11-C78 HydrophobicContact CG2-CB 4.2Å; V11-C78 VanDerWaalsContact CG2-O 3.31Å; V11-C78 WeakPolarHBondContact CG2-O 3.29Å; V11-Y81 HydrophobicContact CB-CD1 3.94Å; V11-Y81 HydrophobicContact CB-CE1 4.25Å; V11-Y81 HydrophobicContact CG1-CD1 3.92Å; V11-Y81 HydrophobicContact CG1-CE1 4.13Å; V11-Y81 HydrophobicContact CG2-CD1 3.87Å; V11-A82 HydrophobicContact CG1-CB 4.07Å; V11-A82 HydrophobicContact CG2-CB 4.29Å; V11-K86 HydrophobicContact CG1-CG 4.04Å; V11-I90 HydrophobicContact CG1-CD1 4.17Å
12N90.6Very high83.7Confident55 Ų5546.1 Ų46.129%0.29423%0.227SC..Hα-helixtrans-64.9-35.1175.8-72.8-31.8000111.9E8 F9 I15 S16E8-N12 VanDerWaalsContact CG-ND2 3.32Å; E8-N12 WeakPolarHBondContact CG-ND2 3.39Å; E8-N12 WeakPolarHBondContact O-CB 3.46Å; E8-N12 VanDerWaalsContact O-CG 3.27Å; E8-N12 PolarHBondContact O-N 3.32Å; E8-N12 PolarHBondContact O-ND2 3.26Å; F9-N12 PolarHBondContact O-N 3.33Å; N12-I15 PolarHBondContact O-N 2.92Å; N12-S16 WeakPolarHBondContact O-CB 3.43Å; N12-S16 PolarHBondContact O-N 3.46Å
13L91.1Very high82.3Confident3 Ų348.8 Ų48.82%0.01625%0.251CS..Hα-helixtrans-64.1-42.6173.8178.565.1000112F9 L10 V11 S16 T17 L144 V169 L215F9-L13 HydrophobicContact CE1-CD2 4.32Å; F9-L13 WeakPolarHBondContact O-CB 3.32Å; F9-L13 PolarHBondContact O-N 2.87Å; L10-L13 WeakPolarHBondContact O-CB 3.32Å; L10-L13 PolarHBondContact O-N 2.94Å; V11-L13 VanDerWaalsContact C-N 3.3Å; V11-L13 PolarHBondContact O-N 3.25Å; L13-S16 PolarHBondContact O-N 2.89Å; L13-T17 WeakPolarHBondContact O-CB 3.23Å; L13-T17 PolarHBondContact O-N 3.06Å; L13-T17 PolarHBondContact O-OG1 3.18Å; L13-L144 HydrophobicContact CD2-CD1 3.84Å; L13-L144 HydrophobicContact CD2-CD2 4.34Å; L13-L144 HydrophobicContact CG-CD1 4.21Å; L13-L144 HydrophobicContact CG-CD2 3.98Å; L13-V169 HydrophobicContact CD2-CG2 3.46Å; L13-V169 VanDerWaalsContact CD2-CG2 3.46Å; L13-L215 HydrophobicContact CD1-CD1 3.4Å; L13-L215 HydrophobicContact CD1-CD2 3.67Å; L13-L215 HydrophobicContact CD1-CG 4.14Å
14I92.8Very high80.3Confident4 Ų448.9 Ų48.92%0.02125%0.247CC..Hα-helixtrans-58.7-50.2173.3-68.2165.4000110.2L10 V11 S16 T17 Q18 I66 I68 I90 L95 L144 I146L10-I14 WeakPolarHBondContact O-CG1 3.37Å; L10-I14 PolarHBondContact O-N 3.25Å; V11-I14 WeakPolarHBondContact O-CB 3.49Å; V11-I14 PolarHBondContact O-N 3.15Å; I14-S16 PolarHBondContact O-N 2.87Å; I14-T17 PolarHBondContact O-N 3.17Å; I14-Q18 WeakPolarHBondContact O-CG 3.2Å; I14-Q18 PolarHBondContact O-N 2.95Å; I14-I66 HydrophobicContact CB-CD1 4.41Å; I14-I66 HydrophobicContact CG1-CG2 4.44Å; I14-I66 HydrophobicContact CG2-CD1 3.83Å; I14-I68 HydrophobicContact CD1-CD1 3.83Å; I14-I90 HydrophobicContact CG2-CD1 4.01Å; I14-I90 HydrophobicContact CG2-CG1 4.48Å; I14-I90 HydrophobicContact CG2-CG2 4.27Å; I14-L95 HydrophobicContact CG2-CD2 4.02Å; I14-L144 HydrophobicContact CG1-CD2 4.23Å; I14-I146 HydrophobicContact CD1-CD1 3.89Å; I14-I146 HydrophobicContact CG1-CD1 3.93Å
15I90.6Very high77.7Confident11 Ų1146.5 Ų46.56%0.05625%0.246CC..Hα-helixtrans-60-45.8179.7-67.2164.7000111V11 N12 T17 Q18 K19 K86 M89 I90V11-I15 HydrophobicContact CG1-CD1 3.95Å; V11-I15 WeakPolarHBondContact O-CG1 3.49Å; V11-I15 PolarHBondContact O-N 3.3Å; N12-I15 PolarHBondContact O-N 2.92Å; I15-T17 VanDerWaalsContact C-N 3.35Å; I15-T17 PolarHBondContact O-N 3.41Å; I15-Q18 PolarHBondContact O-N 3.44Å; I15-K19 HydrophobicContact CG2-CD 4.02Å; I15-K19 WeakPolarHBondContact O-CG 3.3Å; I15-K19 PolarHBondContact O-N 3.08Å; I15-K86 HydrophobicContact CD1-CB 4.04Å; I15-K86 HydrophobicContact CD1-CD 4.38Å; I15-K86 HydrophobicContact CD1-CG 4.03Å; I15-M89 HydrophobicContact CD1-CB 3.82Å; I15-M89 HydrophobicContact CG1-CB 4.14Å; I15-I90 HydrophobicContact CD1-CG1 4.29Å; I15-I90 HydrophobicContact CG1-CD1 4.24Å; I15-I90 HydrophobicContact CG1-CG1 3.66Å
16S90Very high75.5Confident39 Ų3946.6 Ų46.627%0.27325%0.247SC..Hα-helixtrans-60.6-45.3179-175.50000111.3N12 L13 I14 Q18 K19 S20N12-S16 WeakPolarHBondContact O-CB 3.43Å; N12-S16 PolarHBondContact O-N 3.46Å; L13-S16 PolarHBondContact O-N 2.89Å; I14-S16 PolarHBondContact O-N 2.87Å; S16-Q18 PolarHBondContact O-N 3.29Å; S16-K19 PolarHBondContact O-N 3.05Å; S16-S20 PolarHBondContact O-N 3.24Å
17T89.9Confident73.1Confident12 Ų1254.6 Ų54.67%0.07428%0.277CS..Hα-helixtrans-60.1-48.1178-57.40000111.1L13 I14 I15 K19 S20 I66 P143 L144L13-T17 WeakPolarHBondContact O-CB 3.23Å; L13-T17 PolarHBondContact O-N 3.06Å; L13-T17 PolarHBondContact O-OG1 3.18Å; I14-T17 PolarHBondContact O-N 3.17Å; I15-T17 VanDerWaalsContact C-N 3.35Å; I15-T17 PolarHBondContact O-N 3.41Å; T17-K19 VanDerWaalsContact C-N 3.34Å; T17-K19 PolarHBondContact O-N 3.42Å; T17-S20 WeakPolarHBondContact O-CB 3.41Å; T17-S20 PolarHBondContact O-N 2.8Å; T17-S20 VanDerWaalsContact O-N 3.15Å; T17-S20 PolarHBondContact O-OG 2.9Å; T17-I66 HydrophobicContact CG2-CD1 3.97Å; T17-I66 HydrophobicContact CG2-CG1 4.21Å; T17-P143 HydrophobicContact CG2-CB 4.43Å; T17-P143 HydrophobicContact CG2-CG 3.82Å; T17-L144 HydrophobicContact CG2-CB 3.96Å; T17-L144 HydrophobicContact CG2-CD2 4.44Å
18Q89.2Confident70.4Confident16 Ų1662.8 Ų62.88%0.07532%0.315CS..Hα-helixtrans-63.8-35.6177.5-69.4178.1-1000113.1I14 I15 S16 S20 E21 I66 D91 S94I14-Q18 WeakPolarHBondContact O-CG 3.2Å; I14-Q18 PolarHBondContact O-N 2.95Å; I15-Q18 PolarHBondContact O-N 3.44Å; S16-Q18 PolarHBondContact O-N 3.29Å; Q18-S20 VanDerWaalsContact C-N 3.32Å; Q18-E21 WeakPolarHBondContact O-CB 3.44Å; Q18-E21 PolarHBondContact O-N 2.77Å; Q18-I66 HydrophobicContact CG-CD1 3.7Å; Q18-D91 PolarHBondContact NE2-O 3.12Å; Q18-D91 VanDerWaalsContact NE2-O 3.09Å; Q18-S94 PolarHBondContact NE2-OG 2.91Å
19K85.5Confident67.8Low118 Ų11869.2 Ų69.251%0.51334%0.338SS..Hα-helixtrans-70.5-29.7175.5-74.6177.1-179.7177.50112.5I15 S16 T17 E21 K22 S23I15-K19 HydrophobicContact CG2-CD 4.02Å; I15-K19 WeakPolarHBondContact O-CG 3.3Å; I15-K19 PolarHBondContact O-N 3.08Å; S16-K19 PolarHBondContact O-N 3.05Å; T17-K19 VanDerWaalsContact C-N 3.34Å; T17-K19 PolarHBondContact O-N 3.42Å; K19-E21 PolarHBondContact O-N 3.21Å; K19-K22 PolarHBondContact O-N 3.12Å; K19-K22 VanDerWaalsContact O-N 3.08Å; K19-S23 PolarHBondContact O-N 3.36Å; K19-S23 PolarHBondContact O-OG 3.13Å
20S76.9Confident65.1Low21 Ų2174.9 Ų74.915%0.14737%0.369CS..Hα-helixtrans-66.6-20.3177.484.90000113S16 T17 Q18 S23 F24 R218S16-S20 PolarHBondContact O-N 3.24Å; T17-S20 WeakPolarHBondContact O-CB 3.41Å; T17-S20 PolarHBondContact O-N 2.8Å; T17-S20 VanDerWaalsContact O-N 3.15Å; T17-S20 PolarHBondContact O-OG 2.9Å; Q18-S20 VanDerWaalsContact C-N 3.32Å; S20-S23 WeakPolarHBondContact CA-OG 3.1Å; S20-S23 PolarHBondContact O-OG 3.05Å; S20-F24 VanDerWaalsContact O-CD2 3.23Å; S20-F24 WeakPolarHBondContact O-CD2 3.39Å; S20-F24 WeakPolarHBondContact O-CE2 3.42Å; S20-R218 PolarHBondContact OG-NH2 3.25Å
21E65Low62.5Low62 Ų6281 Ų8129%0.2940%0.402SS..Hα-helixtrans-69-38.9170.1-167.3175.1-16700111.8Q18 K19 S23 R63 Q64Q18-E21 WeakPolarHBondContact O-CB 3.44Å; Q18-E21 PolarHBondContact O-N 2.77Å; K19-E21 PolarHBondContact O-N 3.21Å; E21-S23 VanDerWaalsContact C-N 3.34Å; E21-S23 PolarHBondContact O-N 3.3Å; E21-R63 WeakPolarHBondContact OE1-CA 3.4Å; E21-Q64 HydrophobicContact CB-CG 4.27Å; E21-Q64 HydrophobicContact CG-CB 4.39Å; E21-Q64 HydrophobicContact CG-CG 3.91Å; E21-Q64 PolarHBondContact OE1-N 3.32Å
22K50.6Low60Low175 Ų17588.2 Ų88.276%0.76144%0.44SS*.Hα-helixtrans-77.7-17.4-173.8-63.6-177.8-179.81770113.8K19K19-K22 PolarHBondContact O-N 3.12Å; K19-K22 VanDerWaalsContact O-N 3.08Å
23S37.4Very low57.6Low91 Ų9193 Ų9364%0.63646%0.464SS*.THydrogen-bonded Turntrans-93.3-1.2-170.639.30000115K19 S20 E21K19-S23 PolarHBondContact O-N 3.36Å; K19-S23 PolarHBondContact O-OG 3.13Å; S20-S23 WeakPolarHBondContact CA-OG 3.1Å; S20-S23 PolarHBondContact O-OG 3.05Å; E21-S23 VanDerWaalsContact C-N 3.34Å; E21-S23 PolarHBondContact O-N 3.3Å
24F34Very low55Low92 Ų92100.1 Ų100.140%0.40450%0.502SS..PPolyproline II helixtrans-87.8117.8172.1-74.6-101.1000108.7S20 R61 R218S20-F24 VanDerWaalsContact O-CD2 3.23Å; S20-F24 WeakPolarHBondContact O-CD2 3.39Å; S20-F24 WeakPolarHBondContact O-CE2 3.42Å; F24-R61 PolarHBondContact O-NH1 2.86Å; F24-R61 PolarHBondContact O-NH2 2.98Å; F24-R218 VanDerWaalsContact CE2-CZ 3.44Å
25S27.9Very low52.2Low86 Ų86107.9 Ų107.960%0.60154%0.544SS*.PPolyproline II helixtrans-87.9148.7149.584.60000107Y27 R61S25-Y27 PolarHBondContact O-N 2.96Å; S25-R61 PolarHBondContact O-NH2 3.31Å
26P36.7Very low49.8Very low65 Ų65113.3 Ų113.342%0.42258%0.577SS.*PPolyproline II helixtrans-59.2129.2165.525.5-29000106.5E28 R61P26-E28 PolarHBondContact O-N 2.75Å; P26-E28 VanDerWaalsContact O-N 3.14Å; P26-R61 VanDerWaalsContact N-NH2 3.15Å
27Y35Very low47.1Very low202 Ų202117.5 Ų117.579%0.79260%0.601SS**  trans-61115.8162.8-72.4-84.8000105.8S25 Y29S25-Y27 PolarHBondContact O-N 2.96Å; Y27-Y29 PolarHBondContact O-N 3.42Å
28E30.4Very low44.7Very low181 Ų181122.1 Ų122.185%0.84663%0.634SS**  trans-60.7105.5161.3-76178.1157.900106P26 D30P26-E28 PolarHBondContact O-N 2.75Å; P26-E28 VanDerWaalsContact O-N 3.14Å; E28-D30 PolarHBondContact O-N 2.84Å
29Y35.1Very low42.3Very low206 Ų206129.6 Ų129.681%0.80867%0.669SS**  trans-76.7113.2156-99.4-90.9000105.7Y27 D31Y27-Y29 PolarHBondContact O-N 3.42Å; Y29-D31 VanDerWaalsContact C-N 3.32Å; Y29-D31 PolarHBondContact O-N 2.65Å
30D33.1Very low40.2Very low134 Ų134133.1 Ų133.172%0.71769%0.685SS**  trans-59.697.6164.2-83.5-33.4000108.1E28 D32E28-D30 PolarHBondContact O-N 2.84Å; D30-D32 PolarHBondContact O-N 2.8Å; D30-D32 VanDerWaalsContact O-N 3.15Å
31D38.8Very low38.4Very low129 Ų129137.5 Ų137.569%0.6971%0.713SS**  trans-77.420.1174.3-110.7-19.6000112.3Y29 L33Y29-D31 VanDerWaalsContact C-N 3.32Å; Y29-D31 PolarHBondContact O-N 2.65Å; D31-L33 VanDerWaalsContact C-N 3.29Å; D31-L33 PolarHBondContact O-N 3.5Å
32D40.1Very low37.1Very low150 Ų150140.9 Ų140.980%0.80274%0.738SS**THydrogen-bonded Turntrans-86.618.9-175.5-86.2-12.1000114.3D30D30-D32 PolarHBondContact O-N 2.8Å; D30-D32 VanDerWaalsContact O-N 3.15Å
33L39.1Very low36.7Very low155 Ų155137.1 Ų137.181%0.81274%0.74SS**THydrogen-bonded Turntrans-123.111.4-177.9-82.1168.4000116.7D31D31-L33 VanDerWaalsContact C-N 3.29Å; D31-L33 PolarHBondContact O-N 3.5Å
34L36.9Very low36.7Very low154 Ų154138.7 Ų138.781%0.80675%0.75SS**  trans-126.560.3173.8-70.2171.6000112.3
35N33.9Very low37.3Very low167 Ų167140.1 Ų140.189%0.89377%0.767SS**  trans-140.270.4161.5-107-17.4000110.1
36T39.6Very low37.9Very low124 Ų124142.6 Ų142.676%0.76178%0.779SS**  trans-115.594.3166.400000109.4
37T35.1Very low38.3Very low127 Ų127147.4 Ų147.478%0.77980%0.8SS**  trans40.697.8142.635.60000118.1
38S39.6Very low38.8Very low110 Ų110142.9 Ų142.977%0.76980%0.795SS**  trans-128.4106.8150.3169.90000109.1
39Q37Very low39.4Very low172 Ų172140 Ų14080%0.80479%0.792SS**  trans-70.5120.6176.6-65.5172.1-10.500110.6
40F42.7Very low39.7Very low193 Ų193135.3 Ų135.385%0.84679%0.79SS**  trans-150.9143.4148.7-83.9-71.8000110.4
41P38.8Very low40.3Very low112 Ų112135 Ų13573%0.72779%0.792SS**  trans-92.8135.9-164.54.516.3000113.9
42T38.5Very low40.2Very low133 Ų133133.2 Ų133.282%0.81679%0.788SS**  trans30.2110.2144.736.80000120.3
43A42.3Very low40.2Very low97 Ų97129.6 Ų129.680%0.80277%0.774SS**  trans-133.8121.2138.600000108.9T45A43-T45 PolarHBondContact O-N 3.29Å
44S37Very low40.4Very low123 Ų123128.6 Ų128.686%0.8677%0.768SS**  trans-72.6112.8-176.8-57.70000111.2
45T45.6Very low40.5Very low123 Ų123128.8 Ų128.876%0.75576%0.763SS**  trans-132.8124.1166.1-47.90000109.1A43 L47A43-T45 PolarHBondContact O-N 3.29Å; T45-L47 PolarHBondContact O-N 2.95Å
46T41.7Very low40.8Very low138 Ų138124.1 Ų124.185%0.84774%0.743SS**PPolyproline II helixtrans-46.7118177.2-11.50000111.6
47L44.8Very low40.9Very low165 Ų165125.4 Ų125.486%0.86474%0.738SS**PPolyproline II helixtrans-78.1131.3175.7-82.6156000110.5T45T45-L47 PolarHBondContact O-N 2.95Å
48P45Very low41.2Very low107 Ų107125.4 Ų125.470%0.69573%0.733SS**PPolyproline II helixtrans-69.7161.6167.830.1-31.1000110.7S50P48-S50 PolarHBondContact O-N 3.23Å
49P42.8Very low41.4Very low121 Ų121125.7 Ų125.779%0.78673%0.726SS**SBendtrans-66.9131-167.427-32.7000112.1
50S42Very low42.1Very low108 Ų108123.8 Ų123.876%0.75571%0.712SS**  trans30.696.315860.60000117P48P48-S50 PolarHBondContact O-N 3.23Å
51V44.8Very low43.1Very low127 Ų127119.9 Ų119.977%0.7769%0.692SS**PPolyproline II helixtrans-60127.1155.8-177.40000107.5S53V51-S53 PolarHBondContact O-N 3.47Å; V51-S53 VanDerWaalsContact O-N 3.16Å
52P37.6Very low44.8Very low92 Ų92116.6 Ų116.660%0.59767%0.671SS**PPolyproline II helixtrans-57.7124.9175.122.3-29.5000108.3I54P52-I54 PolarHBondContact O-N 2.86Å
53S39.5Very low47.1Very low74 Ų74119.5 Ų119.552%0.51767%0.666SS.*PPolyproline II helixtrans-55.4130.7-171.881.60000110V51 K55 S56V51-S53 PolarHBondContact O-N 3.47Å; V51-S53 VanDerWaalsContact O-N 3.16Å; S53-K55 PolarHBondContact O-N 3.01Å; S53-S56 PolarHBondContact O-N 3.44Å; S53-S56 PolarHBondContact O-OG 3.43Å; S53-S56 VanDerWaalsContact O-OG 3.1Å
54I44.5Very low49.4Very low134 Ų134116.2 Ų116.269%0.68764%0.635SS**G310 helixtrans-52.1-20.9176.2-66.4166.7000111.9P52 S56 F57P52-I54 PolarHBondContact O-N 2.86Å; I54-S56 VanDerWaalsContact C-N 3.27Å; I54-S56 PolarHBondContact O-N 2.99Å; I54-F57 PolarHBondContact O-N 3.4Å
55K38.4Very low52.2Low157 Ų157112.6 Ų112.668%0.68360%0.603SS**G310 helixtrans-62.3-23.1173.1-62-168.1176.8-168.40114.8S53 F57S53-K55 PolarHBondContact O-N 3.01Å; K55-F57 VanDerWaalsContact C-N 3.34Å
56S39.7Very low54.6Low69 Ų69106.8 Ų106.848%0.48357%0.568SS.*G310 helixtrans-75.2-23.5178.166.10000113.2S53 I54S53-S56 PolarHBondContact O-N 3.44Å; S53-S56 PolarHBondContact O-OG 3.43Å; S53-S56 VanDerWaalsContact O-OG 3.1Å; I54-S56 VanDerWaalsContact C-N 3.27Å; I54-S56 PolarHBondContact O-N 2.99Å
57F42.6Very low57.3Low152 Ų152100.2 Ų100.267%0.66753%0.527SS*.THydrogen-bonded Turntrans-80.4-25.4177.8-71.9-81.1000113I54 K55 N59 Y60I54-F57 PolarHBondContact O-N 3.4Å; K55-F57 VanDerWaalsContact C-N 3.34Å; F57-N59 PolarHBondContact O-N 3.19Å; F57-Y60 PolarHBondContact O-N 3.4Å
58L40.4Very low59.8Low127 Ų12792.5 Ų92.567%0.66549%0.487SS*.THydrogen-bonded Turntrans-70.9-17.1-177.8-77.6159.2000113.8
59N44.8Very low62.2Low115 Ų11587.4 Ų87.462%0.61545%0.454SS*.THydrogen-bonded Turntrans-102.97.2177.1-76.2-23.9000113.8F57 R61F57-N59 PolarHBondContact O-N 3.19Å; N59-R61 PolarHBondContact O-N 3.27Å; N59-R61 VanDerWaalsContact O-N 3.13Å
60Y51Low64.6Low132 Ų13281.6 Ų81.652%0.51842%0.416SS..  trans-75.3105.7177-169.1-97000110.3F57 P62 N139F57-Y60 PolarHBondContact O-N 3.4Å; Y60-P62 HydrophobicContact CE1-CB 4.24Å; Y60-N139 WeakPolarHBondContact OH-CB 3.45Å
61R64.1Low67.1Low112 Ų11279 Ų7942%0.42339%0.394SS..  trans-108.8118.3164.7-66.5-146.8-164.2118.810.3109.8F24 S25 P26 N59 R63F24-R61 PolarHBondContact O-NH1 2.86Å; F24-R61 PolarHBondContact O-NH2 2.98Å; S25-R61 PolarHBondContact O-NH2 3.31Å; P26-R61 VanDerWaalsContact N-NH2 3.15Å; N59-R61 PolarHBondContact O-N 3.27Å; N59-R61 VanDerWaalsContact O-N 3.13Å; R61-R63 PolarHBondContact O-N 3.45Å
62P74.3Confident69.4Low43 Ų4373.2 Ų73.228%0.27936%0.358SS..PPolyproline II helixtrans-60.9138.6172.327.3-32.3000108.1Y60 V141Y60-P62 HydrophobicContact CE1-CB 4.24Å; P62-V141 HydrophobicContact CB-CG1 3.83Å; P62-V141 HydrophobicContact CB-CG2 4.35Å; P62-V141 HydrophobicContact CG-CB 4.44Å; P62-V141 HydrophobicContact CG-CG1 3.57Å; P62-V141 HydrophobicContact CG-CG2 4.04Å
63R86.8Confident72Confident193 Ų19374.7 Ų74.773%0.72836%0.361SS*.EExtended strand (participates in β ladder)trans-58.4147173.2-72.9-178.9172.3168.6-2.3109.3E21 R61 F140 V141E21-R63 WeakPolarHBondContact OE1-CA 3.4Å; R61-R63 PolarHBondContact O-N 3.45Å; R63-F140 HydrophobicContact CB-CB 4.22Å; R63-F140 CarbonylContact O-C 3.5Å; R63-F140 WeakPolarHBondContact O-CA 3.4Å; R63-F140 WeakPolarHBondContact O-CB 3.32Å; R63-V141 PolarHBondContact O-N 2.9Å
64Q90.6Very high74.5Confident29 Ų2972.3 Ų72.314%0.13634%0.343CS..EExtended strand (participates in β ladder)trans-92.8138.2173.4-60.5-169.4-17.200111E21 V141 P143E21-Q64 HydrophobicContact CB-CG 4.27Å; E21-Q64 HydrophobicContact CG-CB 4.39Å; E21-Q64 HydrophobicContact CG-CG 3.91Å; E21-Q64 PolarHBondContact OE1-N 3.32Å; Q64-V141 HydrophobicContact CG-CG2 3.98Å; Q64-P143 HydrophobicContact CB-CG 4.21Å; Q64-P143 HydrophobicContact CG-CG 4.29Å
65K95.1Very high76.9Confident46 Ų4666 Ų6620%0.231%0.31CS..EExtended strand (participates in β ladder)trans-122.8144.8169.5-66.5-66.9-170.9155.80109.9S93 S94 I96 F140 V141 I142 P143K65-S93 PolarHBondContact NZ-O 3.35Å; K65-S94 CarbonylContact C-O 3.54Å; K65-S94 WeakPolarHBondContact CA-O 3.44Å; K65-S94 VanDerWaalsContact CD-O 3.24Å; K65-S94 WeakPolarHBondContact CD-O 3.47Å; K65-I96 HydrophobicContact CB-CD1 3.94Å; K65-I96 HydrophobicContact CB-CG1 4.37Å; K65-I96 HydrophobicContact CD-CG1 4.48Å; K65-I96 HydrophobicContact CG-CD1 4.18Å; K65-F140 HydrophobicContact CB-CD2 3.58Å; K65-F140 HydrophobicContact CB-CE2 3.82Å; K65-F140 HydrophobicContact CB-CG 4.25Å; K65-F140 HydrophobicContact CG-CB 3.9Å; K65-F140 HydrophobicContact CG-CD1 4.01Å; K65-F140 HydrophobicContact CG-CD2 3.31Å; K65-F140 HydrophobicContact CG-CE1 4.38Å; K65-F140 HydrophobicContact CG-CE2 3.74Å; K65-F140 HydrophobicContact CG-CG 3.47Å; K65-F140 VanDerWaalsContact CG-CG 3.47Å; K65-F140 HydrophobicContact CG-CZ 4.25Å; K65-V141 PolarHBondContact N-O 3.26Å; K65-I142 HydrophobicContact CB-CG1 4.45Å; K65-I142 WeakPolarHBondContact O-CA 3.32Å; K65-P143 WeakPolarHBondContact O-CD 3.22Å
66I96.7Very high79.5Confident2 Ų259.1 Ų59.11%0.0128%0.282CS..EExtended strand (participates in β ladder)trans-111.9127.4174.3-61.6171.5000107.3I14 T17 Q18 I68 S94 L95 I96 L144I14-I66 HydrophobicContact CB-CD1 4.41Å; I14-I66 HydrophobicContact CG1-CG2 4.44Å; I14-I66 HydrophobicContact CG2-CD1 3.83Å; T17-I66 HydrophobicContact CG2-CD1 3.97Å; T17-I66 HydrophobicContact CG2-CG1 4.21Å; Q18-I66 HydrophobicContact CG-CD1 3.7Å; I66-I68 HydrophobicContact CG2-CG1 4.4Å; I66-S94 PolarHBondContact N-O 3.43Å; I66-L95 HydrophobicContact CB-CD2 3.83Å; I66-L95 HydrophobicContact CD1-CD2 4.37Å; I66-L95 HydrophobicContact CG2-CD2 4.26Å; I66-L95 WeakPolarHBondContact O-CA 3.37Å; I66-I96 PolarHBondContact O-N 2.85Å; I66-L144 HydrophobicContact CD1-CD2 4.23Å; I66-L144 HydrophobicContact CG1-CB 4.27Å; I66-L144 HydrophobicContact CG1-CD2 4.46Å; I66-L144 HydrophobicContact CG2-CB 4.17Å; I66-L144 HydrophobicContact CG2-CD2 3.83Å; I66-L144 HydrophobicContact CG2-CG 3.98Å
67L97.6Very high82.1Confident0 Ų057.9 Ų57.90%027%0.273CS..EExtended strand (participates in β ladder)trans-101.3130178.6174.868.1000109.8I96 A98 V133 I142 L144 I145 I146 L161L67-I96 CarbonylContact C-O 3.57Å; L67-I96 WeakPolarHBondContact CA-O 3.47Å; L67-I96 HydrophobicContact CD1-CB 3.84Å; L67-I96 HydrophobicContact CD1-CG2 3.57Å; L67-A98 HydrophobicContact CD1-CB 3.8Å; L67-V133 HydrophobicContact CD1-CG1 4.31Å; L67-V133 HydrophobicContact CD1-CG2 4.32Å; L67-V133 HydrophobicContact CD2-CG1 4.17Å; L67-I142 HydrophobicContact CB-CG2 4.17Å; L67-L144 PolarHBondContact N-O 3.25Å; L67-I145 HydrophobicContact CB-CG1 4.08Å; L67-I145 HydrophobicContact CB-CG2 4.42Å; L67-I145 HydrophobicContact CD2-CD1 3.98Å; L67-I145 HydrophobicContact CD2-CG1 4.34Å; L67-I145 HydrophobicContact CD2-CG2 4.24Å; L67-I145 HydrophobicContact CG-CG2 4.33Å; L67-I145 CarbonylContact O-C 3.58Å; L67-I145 VanDerWaalsContact O-CA 3.27Å; L67-I145 WeakPolarHBondContact O-CA 3.47Å; L67-I146 PolarHBondContact O-N 2.66Å; L67-L161 HydrophobicContact CD2-CD1 4.06Å
68I97.1Very high84.5Confident2 Ų250.9 Ų50.91%0.0124%0.242CC..EExtended strand (participates in β ladder)trans-120.2118.5175.4-50.5-179.1000107.4I14 I66 I75 I96 I97 A98 I146 F148I14-I68 HydrophobicContact CD1-CD1 3.83Å; I66-I68 HydrophobicContact CG2-CG1 4.4Å; I68-I75 HydrophobicContact CG2-CG1 4.07Å; I68-I75 HydrophobicContact CG2-CG2 4.29Å; I68-I96 PolarHBondContact N-O 3.38Å; I68-I97 HydrophobicContact CB-CD1 3.8Å; I68-I97 HydrophobicContact CD1-CD1 3.83Å; I68-I97 HydrophobicContact CG1-CD1 4.05Å; I68-I97 WeakPolarHBondContact O-CA 3.39Å; I68-A98 PolarHBondContact O-N 3.28Å; I68-I146 WeakPolarHBondContact CA-O 3.18Å; I68-I146 HydrophobicContact CG1-CD1 4.48Å; I68-I146 HydrophobicContact CG2-CB 4.39Å; I68-F148 HydrophobicContact CG2-CD2 4.17Å; I68-F148 HydrophobicContact CG2-CE2 3.66Å
69C96.1Very high87Confident0 Ų045 Ų450%021%0.212CC..EExtended strand (participates in β ladder)trans-112.7134.8-177.5-57.80000110.4A98 I146 E147 F148C69-A98 VanDerWaalsContact CA-O 3.32Å; C69-A98 WeakPolarHBondContact CA-O 3.32Å; C69-I146 PolarHBondContact N-O 3.48Å; C69-E147 HydrophobicContact CB-CB 4.47Å; C69-E147 WeakPolarHBondContact CB-OE2 3.2Å; C69-F148 WeakPolarHBondContact O-CD2 3.5Å; C69-F148 PolarHBondContact O-N 2.65Å
70G94.2Very high89.4Confident0 Ų042.9 Ų42.90%020%0.2CC..SBendtrans162.8-174.2179.100000113.2I75 A98 S99G70-I75 WeakPolarHBondContact O-CD1 3.31Å; G70-A98 PolarHBondContact N-O 2.91Å; G70-A98 VanDerWaalsContact N-O 3.12Å; G70-S99 WeakPolarHBondContact O-CA 3.24Å; G70-S99 WeakPolarHBondContact O-CB 3.44Å; G70-S99 PolarHBondContact O-OG 3.4Å
71L93.2Very high91.5Very high54 Ų5438.3 Ų38.328%0.28318%0.182SC..  trans-83.5161166.9-71.5-179000111D73 D74 I75 T100 Q149L71-D73 VanDerWaalsContact C-N 3.27Å; L71-D73 PolarHBondContact O-N 3.36Å; L71-D74 PolarHBondContact O-N 2.95Å; L71-I75 WeakPolarHBondContact O-CG1 3.29Å; L71-I75 PolarHBondContact O-N 3.27Å; L71-T100 VanDerWaalsContact CD2-OG1 3.29Å; L71-T100 WeakPolarHBondContact CD2-OG1 3.36Å; L71-Q149 VanDerWaalsContact CG-NE2 3.27Å
72P93.3Very high92.9Very high4 Ų433 Ų333%0.02616%0.163CC..Hα-helixtrans-51.8-44175.6-27.136000113.2D74 I75 S76 D101 E104 L105P72-D74 PolarHBondContact O-N 3.42Å; P72-I75 PolarHBondContact O-N 3.01Å; P72-S76 WeakPolarHBondContact O-CB 3.31Å; P72-S76 PolarHBondContact O-N 3.32Å; P72-S76 PolarHBondContact O-OG 3Å; P72-D101 HydrophobicContact CG-CB 3.99Å; P72-D101 VanDerWaalsContact CG-O 3.27Å; P72-D101 WeakPolarHBondContact CG-O 3.31Å; P72-E104 HydrophobicContact CB-CB 4.1Å; P72-E104 VanDerWaalsContact CB-CD 3.5Å; P72-E104 HydrophobicContact CB-CG 3.94Å; P72-E104 VanDerWaalsContact CB-OE2 3.31Å; P72-E104 WeakPolarHBondContact CB-OE2 3.37Å; P72-E104 HydrophobicContact CG-CB 3.94Å; P72-E104 HydrophobicContact CG-CG 4.34Å; P72-L105 HydrophobicContact CB-CD2 4.2Å; P72-L105 HydrophobicContact CB-CG 4.21Å; P72-L105 HydrophobicContact CG-CG 4.13Å
73D91.9Very high93.7Very high123 Ų12333.8 Ų33.866%0.65816%0.163SC*.Hα-helixtrans-60.3-30178.2-76.1-24.7000113.9L71 P77L71-D73 VanDerWaalsContact C-N 3.27Å; L71-D73 PolarHBondContact O-N 3.36Å; D73-P77 WeakPolarHBondContact O-CD 3.31Å; D73-P77 WeakPolarHBondContact O-CG 3.29Å
74D92.4Very high94Very high25 Ų2531.3 Ų31.313%0.13416%0.163CC..Hα-helixtrans-83.8-38.1179-66.4-58.6000111.6Y2 L71 P72 F148 Q149Y2-D74 HydrophobicContact CE2-CB 3.88Å; Y2-D74 VanDerWaalsContact CE2-OD1 3.22Å; Y2-D74 WeakPolarHBondContact CE2-OD1 3.44Å; Y2-D74 PolarHBondContact OH-OD1 3.3Å; Y2-D74 VanDerWaalsContact OH-OD1 3.12Å; L71-D74 PolarHBondContact O-N 2.95Å; P72-D74 PolarHBondContact O-N 3.42Å; D74-F148 HydrophobicContact CB-CB 3.65Å; D74-F148 HydrophobicContact CB-CD1 4.08Å; D74-F148 HydrophobicContact CB-CD2 4.17Å; D74-F148 HydrophobicContact CB-CG 3.73Å; D74-Q149 WeakPolarHBondContact OD2-CG 3.48Å; D74-Q149 PolarHBondContact OD2-NE2 3.01Å
75I94.2Very high94.1Very high0 Ų032.3 Ų32.30%018%0.176CC..Hα-helixtrans-81.2-42.4-174.5-65.4161.9000111.7I68 G70 L71 P72 P77 C78 L79 I97 L105 F148I68-I75 HydrophobicContact CG2-CG1 4.07Å; I68-I75 HydrophobicContact CG2-CG2 4.29Å; G70-I75 WeakPolarHBondContact O-CD1 3.31Å; L71-I75 WeakPolarHBondContact O-CG1 3.29Å; L71-I75 PolarHBondContact O-N 3.27Å; P72-I75 PolarHBondContact O-N 3.01Å; I75-P77 VanDerWaalsContact C-CD 3.48Å; I75-C78 WeakPolarHBondContact O-CB 3.36Å; I75-C78 PolarHBondContact O-N 3.2Å; I75-L79 HydrophobicContact CG2-CD1 3.8Å; I75-L79 HydrophobicContact CG2-CG 4.05Å; I75-L79 PolarHBondContact O-N 3.04Å; I75-I97 HydrophobicContact CD1-CG2 3.77Å; I75-I97 HydrophobicContact CG2-CG2 4.03Å; I75-L105 HydrophobicContact CG2-CD2 4.49Å; I75-F148 HydrophobicContact CG1-CD2 3.99Å; I75-F148 HydrophobicContact CG1-CE2 4.15Å
76S94.3Very high93.8Very high13 Ų1332.6 Ų32.69%0.09118%0.177CC..Hα-helixtrans-56.3-41.7-171.2-59.80000113.4P72 C78 L79 D80 Y109P72-S76 WeakPolarHBondContact O-CB 3.31Å; P72-S76 PolarHBondContact O-N 3.32Å; P72-S76 PolarHBondContact O-OG 3Å; S76-C78 PolarHBondContact O-N 2.95Å; S76-L79 PolarHBondContact O-N 2.63Å; S76-L79 VanDerWaalsContact O-N 3.07Å; S76-D80 WeakPolarHBondContact O-CB 3.28Å; S76-D80 VanDerWaalsContact O-CG 3.28Å; S76-D80 PolarHBondContact O-N 2.98Å; S76-Y109 WeakPolarHBondContact CA-OH 3.2Å; S76-Y109 WeakPolarHBondContact CB-OH 3.42Å; S76-Y109 PolarHBondContact O-OH 2.76Å; S76-Y109 PolarHBondContact OG-OH 3.38Å
77P93.3Very high93.5Very high44 Ų4436.6 Ų36.629%0.28620%0.203SC..Hα-helixtrans-54.4-37.8175.3-28.236.2000114V7 D73 I75 Y81V7-P77 WeakPolarHBondContact CG1-O 3.42Å; V7-P77 HydrophobicContact CG2-CB 4.06Å; D73-P77 WeakPolarHBondContact O-CD 3.31Å; D73-P77 WeakPolarHBondContact O-CG 3.29Å; I75-P77 VanDerWaalsContact C-CD 3.48Å; P77-Y81 WeakPolarHBondContact O-CB 3.46Å; P77-Y81 PolarHBondContact O-N 3.45Å
78C92.9Very high93.2Very high4 Ų440 Ų403%0.02724%0.239CC..Hα-helixtrans-70.5-42.1177.3-68.40000112.2V11 I75 S76 A82V11-C78 HydrophobicContact CG2-CB 4.2Å; V11-C78 VanDerWaalsContact CG2-O 3.31Å; V11-C78 WeakPolarHBondContact CG2-O 3.29Å; I75-C78 WeakPolarHBondContact O-CB 3.36Å; I75-C78 PolarHBondContact O-N 3.2Å; S76-C78 PolarHBondContact O-N 2.95Å; C78-A82 VanDerWaalsContact O-CB 3.29Å; C78-A82 WeakPolarHBondContact O-CB 3.32Å; C78-A82 PolarHBondContact O-N 3.5Å
79L94.3Very high93Very high4 Ų444.4 Ų44.42%0.02126%0.26CS..Hα-helixtrans-67.6-44.7178.3-64.8-179.8000111.2I75 S76 A82 M83 L95 I97 Y109I75-L79 HydrophobicContact CG2-CD1 3.8Å; I75-L79 HydrophobicContact CG2-CG 4.05Å; I75-L79 PolarHBondContact O-N 3.04Å; S76-L79 PolarHBondContact O-N 2.63Å; S76-L79 VanDerWaalsContact O-N 3.07Å; L79-A82 PolarHBondContact O-N 3.29Å; L79-M83 VanDerWaalsContact O-CG 3.29Å; L79-M83 WeakPolarHBondContact O-CG 3.34Å; L79-M83 PolarHBondContact O-N 3.43Å; L79-L95 HydrophobicContact CD2-CD1 4.29Å; L79-I97 HydrophobicContact CD2-CD1 4.5Å; L79-Y109 HydrophobicContact CB-CD1 4.36Å; L79-Y109 HydrophobicContact CB-CE1 3.61Å; L79-Y109 HydrophobicContact CB-CE2 4.4Å; L79-Y109 HydrophobicContact CD1-CD1 4.22Å; L79-Y109 HydrophobicContact CD1-CD2 3.86Å; L79-Y109 HydrophobicContact CD1-CE1 4.04Å; L79-Y109 HydrophobicContact CD1-CE2 3.63Å; L79-Y109 HydrophobicContact CD1-CG 4.16Å; L79-Y109 HydrophobicContact CG-CE1 4.49Å
80D94.4Very high92.8Very high70 Ų7045 Ų4537%0.37426%0.264SS..Hα-helixtrans-64.1-46179.3-68.2-12.5000111.3S76 A82 M83 I84 Y109S76-D80 WeakPolarHBondContact O-CB 3.28Å; S76-D80 VanDerWaalsContact O-CG 3.28Å; S76-D80 PolarHBondContact O-N 2.98Å; D80-A82 VanDerWaalsContact C-N 3.34Å; D80-A82 PolarHBondContact O-N 3.02Å; D80-M83 PolarHBondContact O-N 2.94Å; D80-I84 WeakPolarHBondContact O-CB 3.12Å; D80-I84 VanDerWaalsContact O-CG1 3.31Å; D80-I84 WeakPolarHBondContact O-CG1 3.13Å; D80-I84 PolarHBondContact O-N 2.92Å; D80-Y109 WeakPolarHBondContact OD1-CE1 3.46Å; D80-Y109 PolarHBondContact OD1-OH 3.33Å
81Y94.4Very high92.7Very high37 Ų3748.9 Ų48.915%0.14528%0.284CS..Hα-helixtrans-60.3-44.2174.9-178.7-85.9000111.3V7 E8 V11 P77 M83 I84 A85 K86V7-Y81 HydrophobicContact CG1-CD1 4.4Å; V7-Y81 HydrophobicContact CG1-CD2 4.34Å; V7-Y81 HydrophobicContact CG1-CG 3.86Å; E8-Y81 HydrophobicContact CB-CE1 4.15Å; E8-Y81 HydrophobicContact CB-CE2 4.35Å; E8-Y81 HydrophobicContact CG-CE1 4.29Å; E8-Y81 VanDerWaalsContact CG-OH 3.29Å; E8-Y81 WeakPolarHBondContact CG-OH 3.21Å; E8-Y81 PolarHBondContact OE1-OH 3.06Å; E8-Y81 PolarHBondContact OE2-OH 2.97Å; E8-Y81 VanDerWaalsContact OE2-OH 3.12Å; V11-Y81 HydrophobicContact CB-CD1 3.94Å; V11-Y81 HydrophobicContact CB-CE1 4.25Å; V11-Y81 HydrophobicContact CG1-CD1 3.92Å; V11-Y81 HydrophobicContact CG1-CE1 4.13Å; V11-Y81 HydrophobicContact CG2-CD1 3.87Å; P77-Y81 WeakPolarHBondContact O-CB 3.46Å; P77-Y81 PolarHBondContact O-N 3.45Å; Y81-M83 VanDerWaalsContact C-N 3.34Å; Y81-M83 PolarHBondContact O-N 3.44Å; Y81-I84 PolarHBondContact O-N 3.38Å; Y81-A85 HydrophobicContact CD1-CB 4.22Å; Y81-A85 HydrophobicContact CD2-CB 4.06Å; Y81-A85 HydrophobicContact CE1-CB 3.98Å; Y81-A85 HydrophobicContact CE2-CB 3.81Å; Y81-A85 HydrophobicContact CG-CB 4.26Å; Y81-A85 WeakPolarHBondContact O-CA 3.39Å; Y81-A85 VanDerWaalsContact O-CB 3.29Å; Y81-A85 WeakPolarHBondContact O-CB 3.17Å; Y81-A85 PolarHBondContact O-N 3.45Å; Y81-K86 HydrophobicContact CE1-CG 4.07Å
82A93.6Very high92.8Very high1 Ų147.8 Ų47.81%0.00828%0.276CS..Hα-helixtrans-61.1-41.6176.900000112.9V11 C78 L79 D80 K86 I90V11-A82 HydrophobicContact CG1-CB 4.07Å; V11-A82 HydrophobicContact CG2-CB 4.29Å; C78-A82 VanDerWaalsContact O-CB 3.29Å; C78-A82 WeakPolarHBondContact O-CB 3.32Å; C78-A82 PolarHBondContact O-N 3.5Å; L79-A82 PolarHBondContact O-N 3.29Å; D80-A82 VanDerWaalsContact C-N 3.34Å; D80-A82 PolarHBondContact O-N 3.02Å; A82-K86 CarbonylContact O-C 3.59Å; A82-K86 WeakPolarHBondContact O-CA 3.49Å; A82-K86 PolarHBondContact O-N 3.28Å; A82-I90 HydrophobicContact CB-CD1 3.38Å; A82-I90 HydrophobicContact CB-CG1 4.36Å
83M92.1Very high92.7Very high59 Ų5949.7 Ų49.729%0.29129%0.29SS..Hα-helixtrans-69-39.8179.5-72.3177.166.300112.5L79 D80 Y81 Y92 Y109 K112 I113L79-M83 VanDerWaalsContact O-CG 3.29Å; L79-M83 WeakPolarHBondContact O-CG 3.34Å; L79-M83 PolarHBondContact O-N 3.43Å; D80-M83 PolarHBondContact O-N 2.94Å; Y81-M83 VanDerWaalsContact C-N 3.34Å; Y81-M83 PolarHBondContact O-N 3.44Å; M83-Y92 HydrophobicContact CG-CE1 4.37Å; M83-Y92 VanDerWaalsContact CG-OH 3.28Å; M83-Y92 WeakPolarHBondContact CG-OH 3.41Å; M83-Y92 PolarHBondContact N-OH 3.27Å; M83-Y109 HydrophobicContact SD-CD1 4.02Å; M83-Y109 HydrophobicContact SD-CE1 4.03Å; M83-K112 HydrophobicContact CE-CB 3.99Å; M83-K112 HydrophobicContact CE-CD 4.3Å; M83-I113 HydrophobicContact CE-CG2 4.1Å; M83-I113 HydrophobicContact CG-CG2 4.28Å; M83-I113 HydrophobicContact SD-CD1 4.27Å; M83-I113 HydrophobicContact SD-CG2 3.95Å
84I92.6Very high92.8Very high140 Ų14044.1 Ų44.172%0.71826%0.261SS*.Hα-helixtrans-87.1-51.3-174.4-62.9168000111.5D80 Y81D80-I84 WeakPolarHBondContact O-CB 3.12Å; D80-I84 VanDerWaalsContact O-CG1 3.31Å; D80-I84 WeakPolarHBondContact O-CG1 3.13Å; D80-I84 PolarHBondContact O-N 2.92Å; Y81-I84 PolarHBondContact O-N 3.38Å
85A91.6Very high92.9Very high50 Ų5043 Ų4341%0.41325%0.254SS..Hα-helixtrans-91.9-22.9-170.600000113.6Y81Y81-A85 HydrophobicContact CD1-CB 4.22Å; Y81-A85 HydrophobicContact CD2-CB 4.06Å; Y81-A85 HydrophobicContact CE1-CB 3.98Å; Y81-A85 HydrophobicContact CE2-CB 3.81Å; Y81-A85 HydrophobicContact CG-CB 4.26Å; Y81-A85 WeakPolarHBondContact O-CA 3.39Å; Y81-A85 VanDerWaalsContact O-CB 3.29Å; Y81-A85 WeakPolarHBondContact O-CB 3.17Å; Y81-A85 PolarHBondContact O-N 3.45Å
86K90.4Very high93Very high52 Ų5243 Ų4323%0.22626%0.255CS..SBendtrans-128.149.6-178.9-53.8-69.1-177.8179.50112.5E8 V11 I15 Y81 A82 G88 M89E8-K86 IonicContact OE1-NZ 2.71Å; V11-K86 HydrophobicContact CG1-CG 4.04Å; I15-K86 HydrophobicContact CD1-CB 4.04Å; I15-K86 HydrophobicContact CD1-CD 4.38Å; I15-K86 HydrophobicContact CD1-CG 4.03Å; Y81-K86 HydrophobicContact CE1-CG 4.07Å; A82-K86 CarbonylContact O-C 3.59Å; A82-K86 WeakPolarHBondContact O-CA 3.49Å; A82-K86 PolarHBondContact O-N 3.28Å; K86-G88 PolarHBondContact O-N 3.29Å; K86-M89 HydrophobicContact CB-CB 4.09Å; K86-M89 HydrophobicContact CB-CG 4.1Å; K86-M89 WeakPolarHBondContact O-CB 3.43Å; K86-M89 WeakPolarHBondContact O-CG 3.4Å; K86-M89 PolarHBondContact O-N 3.29Å; K86-M89 VanDerWaalsContact O-N 3.12Å
87P90.5Very high93.1Very high86 Ų8642.4 Ų42.456%0.55825%0.251SS*.THydrogen-bonded Turntrans-59.5133.4-174.326.9-35.5000111.6M89P87-M89 PolarHBondContact O-N 3.27Å
88G89.9Confident93.2Very high72 Ų7240.3 Ų40.374%0.74224%0.237SC*.THydrogen-bonded Turntrans722179.500000115.6K86K86-G88 PolarHBondContact O-N 3.29Å
89M92.6Very high93.3Very high95 Ų9540.1 Ų40.147%0.46824%0.236SC..SBendtrans-84.8-23179.8-62.8-64.6101.100113.5I15 K86 P87I15-M89 HydrophobicContact CD1-CB 3.82Å; I15-M89 HydrophobicContact CG1-CB 4.14Å; K86-M89 HydrophobicContact CB-CB 4.09Å; K86-M89 HydrophobicContact CB-CG 4.1Å; K86-M89 WeakPolarHBondContact O-CB 3.43Å; K86-M89 WeakPolarHBondContact O-CG 3.4Å; K86-M89 PolarHBondContact O-N 3.29Å; K86-M89 VanDerWaalsContact O-N 3.12Å; P87-M89 PolarHBondContact O-N 3.27Å
90I92.5Very high93.2Very high13 Ų1342.7 Ų42.77%0.06725%0.252CS..SBendtrans-105.8130.6-178.9-60-169.2000110.3V11 I14 I15 A82 Y92 L95V11-I90 HydrophobicContact CG1-CD1 4.17Å; I14-I90 HydrophobicContact CG2-CD1 4.01Å; I14-I90 HydrophobicContact CG2-CG1 4.48Å; I14-I90 HydrophobicContact CG2-CG2 4.27Å; I15-I90 HydrophobicContact CD1-CG1 4.29Å; I15-I90 HydrophobicContact CG1-CD1 4.24Å; I15-I90 HydrophobicContact CG1-CG1 3.66Å; A82-I90 HydrophobicContact CB-CD1 3.38Å; A82-I90 HydrophobicContact CB-CG1 4.36Å; I90-Y92 HydrophobicContact CB-CE1 4.36Å; I90-Y92 HydrophobicContact CB-CE2 4.33Å; I90-Y92 HydrophobicContact CG2-CD1 4.1Å; I90-Y92 HydrophobicContact CG2-CE1 4.13Å; I90-Y92 HydrophobicContact CG2-CG 4.36Å; I90-Y92 PolarHBondContact O-N 3.1Å; I90-L95 HydrophobicContact CG2-CD1 4.01Å; I90-L95 HydrophobicContact CG2-CG 4.4Å
91D92.7Very high93.1Very high80 Ų8042.6 Ų42.643%0.42825%0.251SS..  trans-82.293162.2179.47.2000109.7Q18 S93 S94Q18-D91 PolarHBondContact NE2-O 3.12Å; Q18-D91 VanDerWaalsContact NE2-O 3.09Å; D91-S93 PolarHBondContact O-N 2.91Å; D91-S93 VanDerWaalsContact O-N 3.14Å; D91-S93 VanDerWaalsContact OD1-CB 3.31Å; D91-S93 WeakPolarHBondContact OD1-CB 3.44Å; D91-S93 PolarHBondContact OD1-N 3.16Å; D91-S93 PolarHBondContact OD1-OG 3.04Å; D91-S93 PolarHBondContact OD2-OG 3.28Å; D91-S94 PolarHBondContact O-N 2.97Å; D91-S94 PolarHBondContact O-OG 2.91Å
92Y94.1Very high93Very high31 Ų3142.9 Ų42.912%0.12226%0.255CS..G310 helixtrans-58.1-26.7179.5-64.9-78.7000112.8M83 I90 S94 L95 I113 K114 I115M83-Y92 HydrophobicContact CG-CE1 4.37Å; M83-Y92 VanDerWaalsContact CG-OH 3.28Å; M83-Y92 WeakPolarHBondContact CG-OH 3.41Å; M83-Y92 PolarHBondContact N-OH 3.27Å; I90-Y92 HydrophobicContact CB-CE1 4.36Å; I90-Y92 HydrophobicContact CB-CE2 4.33Å; I90-Y92 HydrophobicContact CG2-CD1 4.1Å; I90-Y92 HydrophobicContact CG2-CE1 4.13Å; I90-Y92 HydrophobicContact CG2-CG 4.36Å; I90-Y92 PolarHBondContact O-N 3.1Å; Y92-S94 PolarHBondContact O-N 2.78Å; Y92-L95 HydrophobicContact CD1-CD1 3.96Å; Y92-L95 WeakPolarHBondContact O-CB 3.27Å; Y92-L95 PolarHBondContact O-N 3.42Å; Y92-I113 HydrophobicContact CD1-CB 4.06Å; Y92-I113 HydrophobicContact CD1-CD1 3.67Å; Y92-I113 HydrophobicContact CD1-CG1 4.44Å; Y92-I113 HydrophobicContact CD1-CG2 4.04Å; Y92-I113 HydrophobicContact CD2-CB 4.14Å; Y92-I113 HydrophobicContact CD2-CG2 3.74Å; Y92-I113 HydrophobicContact CE1-CD1 3.96Å; Y92-I113 HydrophobicContact CE1-CG2 4.11Å; Y92-I113 HydrophobicContact CE2-CG2 3.82Å; Y92-I113 HydrophobicContact CG-CB 3.82Å; Y92-I113 HydrophobicContact CG-CD1 4.31Å; Y92-I113 HydrophobicContact CG-CG2 3.86Å; Y92-K114 CarbonylContact C-O 3.52Å; Y92-I115 HydrophobicContact CD1-CG2 4.32Å
93S92.1Very high92.9Very high45 Ų4548.2 Ų48.232%0.31528%0.283SS..G310 helixtrans-69.5-14.5-179.780.50000113.2K65 D91 K114K65-S93 PolarHBondContact NZ-O 3.35Å; D91-S93 PolarHBondContact O-N 2.91Å; D91-S93 VanDerWaalsContact O-N 3.14Å; D91-S93 VanDerWaalsContact OD1-CB 3.31Å; D91-S93 WeakPolarHBondContact OD1-CB 3.44Å; D91-S93 PolarHBondContact OD1-N 3.16Å; D91-S93 PolarHBondContact OD1-OG 3.04Å; D91-S93 PolarHBondContact OD2-OG 3.28Å; S93-K114 WeakPolarHBondContact CA-O 3.41Å; S93-K114 PolarHBondContact N-O 3.44Å
94S93Very high92.9Very high6 Ų648.9 Ų48.94%0.04229%0.285CS..G310 helixtrans-87.8-7.6171.473.20000113.5Q18 K65 I66 D91 Y92Q18-S94 PolarHBondContact NE2-OG 2.91Å; K65-S94 CarbonylContact C-O 3.54Å; K65-S94 WeakPolarHBondContact CA-O 3.44Å; K65-S94 VanDerWaalsContact CD-O 3.24Å; K65-S94 WeakPolarHBondContact CD-O 3.47Å; I66-S94 PolarHBondContact N-O 3.43Å; D91-S94 PolarHBondContact O-N 2.97Å; D91-S94 PolarHBondContact O-OG 2.91Å; Y92-S94 PolarHBondContact O-N 2.78Å
95L95.8Very high92.9Very high0 Ų042.2 Ų42.20%025%0.251CS..EExtended strand (participates in β ladder)trans-88.6135.1179.9-54.5-173.5000111.4I14 I66 L79 I90 Y92 I97 I115 H116I14-L95 HydrophobicContact CG2-CD2 4.02Å; I66-L95 HydrophobicContact CB-CD2 3.83Å; I66-L95 HydrophobicContact CD1-CD2 4.37Å; I66-L95 HydrophobicContact CG2-CD2 4.26Å; I66-L95 WeakPolarHBondContact O-CA 3.37Å; L79-L95 HydrophobicContact CD2-CD1 4.29Å; I90-L95 HydrophobicContact CG2-CD1 4.01Å; I90-L95 HydrophobicContact CG2-CG 4.4Å; Y92-L95 HydrophobicContact CD1-CD1 3.96Å; Y92-L95 WeakPolarHBondContact O-CB 3.27Å; Y92-L95 PolarHBondContact O-N 3.42Å; L95-I97 HydrophobicContact CB-CD1 4.33Å; L95-I115 HydrophobicContact CB-CG2 4.38Å; L95-H116 PolarHBondContact O-N 2.89Å; L95-H116 VanDerWaalsContact O-N 3.11Å
96I96.1Very high92.9Very high2 Ų242.7 Ų42.71%0.0125%0.246CC..EExtended strand (participates in β ladder)trans-111.8125165.8-55.3172.8000106.5K65 I66 L67 I68 H116 V118 V133 F140K65-I96 HydrophobicContact CB-CD1 3.94Å; K65-I96 HydrophobicContact CB-CG1 4.37Å; K65-I96 HydrophobicContact CD-CG1 4.48Å; K65-I96 HydrophobicContact CG-CD1 4.18Å; I66-I96 PolarHBondContact O-N 2.85Å; L67-I96 CarbonylContact C-O 3.57Å; L67-I96 WeakPolarHBondContact CA-O 3.47Å; L67-I96 HydrophobicContact CD1-CB 3.84Å; L67-I96 HydrophobicContact CD1-CG2 3.57Å; I68-I96 PolarHBondContact N-O 3.38Å; I96-H116 CarbonylContact C-O 3.54Å; I96-H116 WeakPolarHBondContact CA-O 3.06Å; I96-H116 HydrophobicContact CG1-CB 4.3Å; I96-V118 HydrophobicContact CG2-CG2 3.77Å; I96-V133 HydrophobicContact CD1-CG1 4.12Å; I96-F140 HydrophobicContact CD1-CE2 4.02Å; I96-F140 HydrophobicContact CD1-CZ 3.87Å
97I96.3Very high92.9Very high0 Ų045.8 Ų45.80%027%0.269CS..EExtended strand (participates in β ladder)trans-111.2116.9177.8-49-59000107.9I68 I75 L79 L95 L105 I115 H116 L117 V118I68-I97 HydrophobicContact CB-CD1 3.8Å; I68-I97 HydrophobicContact CD1-CD1 3.83Å; I68-I97 HydrophobicContact CG1-CD1 4.05Å; I68-I97 WeakPolarHBondContact O-CA 3.39Å; I75-I97 HydrophobicContact CD1-CG2 3.77Å; I75-I97 HydrophobicContact CG2-CG2 4.03Å; L79-I97 HydrophobicContact CD2-CD1 4.5Å; L95-I97 HydrophobicContact CB-CD1 4.33Å; I97-L105 HydrophobicContact CG2-CD1 3.75Å; I97-I115 HydrophobicContact CG1-CB 4.31Å; I97-I115 HydrophobicContact CG1-CD1 4.1Å; I97-H116 PolarHBondContact N-O 2.84Å; I97-L117 HydrophobicContact CB-CD2 3.83Å; I97-L117 HydrophobicContact CG1-CD2 4.35Å; I97-L117 HydrophobicContact CG2-CD2 4.32Å; I97-L117 CarbonylContact O-C 3.6Å; I97-L117 WeakPolarHBondContact O-CA 3.45Å; I97-V118 PolarHBondContact O-N 3.34Å
98A95.7Very high92.9Very high0 Ų044.4 Ų44.40%026%0.257CS..EExtended strand (participates in β ladder)trans-108.2114.6-179.700000109.5L67 I68 C69 G70 V118 W120L67-A98 HydrophobicContact CD1-CB 3.8Å; I68-A98 PolarHBondContact O-N 3.28Å; C69-A98 VanDerWaalsContact CA-O 3.32Å; C69-A98 WeakPolarHBondContact CA-O 3.32Å; G70-A98 PolarHBondContact N-O 2.91Å; G70-A98 VanDerWaalsContact N-O 3.12Å; A98-V118 WeakPolarHBondContact CA-O 3.49Å; A98-V118 HydrophobicContact CB-CB 4.44Å; A98-W120 HydrophobicContact CB-CB 3.88Å; A98-W120 HydrophobicContact CB-CD2 3.89Å; A98-W120 HydrophobicContact CB-CE3 4.06Å; A98-W120 HydrophobicContact CB-CG 3.84Å
99S95.1Very high93Very high0 Ų041.1 Ų41.10%022%0.222CC..EExtended strand (participates in β ladder)trans-139.5152.2-178.3177.40000110G70 D101 V118 N119 W120G70-S99 WeakPolarHBondContact O-CA 3.24Å; G70-S99 WeakPolarHBondContact O-CB 3.44Å; G70-S99 PolarHBondContact O-OG 3.4Å; S99-D101 VanDerWaalsContact C-N 3.32Å; S99-D101 WeakPolarHBondContact CB-O 3.45Å; S99-D101 PolarHBondContact OG-N 2.68Å; S99-D101 PolarHBondContact OG-O 3.09Å; S99-V118 PolarHBondContact N-O 2.94Å; S99-V118 VanDerWaalsContact N-O 3.09Å; S99-N119 WeakPolarHBondContact O-CA 3.25Å; S99-W120 PolarHBondContact O-N 2.75Å
100T92.7Very high92.7Very high58 Ų5844.5 Ų44.536%0.35624%0.235SC..SBendtrans-78.4-21.7168.850.40000112.2L71 W120L71-T100 VanDerWaalsContact CD2-OG1 3.29Å; L71-T100 WeakPolarHBondContact CD2-OG1 3.36Å; T100-W120 WeakPolarHBondContact CG2-O 3.38Å
101D90.9Very high92.3Very high67 Ų6747.5 Ų47.536%0.35827%0.269SS..  trans-118.596.2173.5-169.5-18.3000108.5P72 S99 D103 E104P72-D101 HydrophobicContact CG-CB 3.99Å; P72-D101 VanDerWaalsContact CG-O 3.27Å; P72-D101 WeakPolarHBondContact CG-O 3.31Å; S99-D101 VanDerWaalsContact C-N 3.32Å; S99-D101 WeakPolarHBondContact CB-O 3.45Å; S99-D101 PolarHBondContact OG-N 2.68Å; S99-D101 PolarHBondContact OG-O 3.09Å; D101-D103 PolarHBondContact OD1-N 3.06Å; D101-E104 PolarHBondContact OD1-N 3.14Å
102I92.5Very high92.1Very high44 Ų4450.2 Ų50.223%0.22628%0.277CS..  trans-91.5-18.5179.560.7170.5000112.1L105 I106 N119I102-L105 PolarHBondContact O-N 3.18Å; I102-I106 HydrophobicContact CD1-CD1 4.44Å; I102-I106 HydrophobicContact CG1-CD1 4.4Å; I102-I106 VanDerWaalsContact O-CG1 3.24Å; I102-I106 WeakPolarHBondContact O-CG1 3.45Å; I102-I106 PolarHBondContact O-N 2.68Å; I102-N119 HydrophobicContact CD1-CB 4.45Å
103D92.4Very high91.9Very high113 Ų11349.9 Ų49.960%0.60428%0.277SS*.Hα-helixtrans-67.3-42.5-173.8-72.5-25.3000110.4D101 L105 I106 V107D101-D103 PolarHBondContact OD1-N 3.06Å; D103-L105 VanDerWaalsContact C-N 3.35Å; D103-L105 PolarHBondContact O-N 3.01Å; D103-I106 PolarHBondContact O-N 3.06Å; D103-V107 WeakPolarHBondContact O-CG2 3.47Å; D103-V107 PolarHBondContact O-N 3.03Å
104E91.5Very high91.8Very high72 Ų7255.7 Ų55.734%0.33630%0.297SS..Hα-helixtrans-60.7-43.4173.7-175175.6176.800112P72 D101 I106 V107 N108P72-E104 HydrophobicContact CB-CB 4.1Å; P72-E104 VanDerWaalsContact CB-CD 3.5Å; P72-E104 HydrophobicContact CB-CG 3.94Å; P72-E104 VanDerWaalsContact CB-OE2 3.31Å; P72-E104 WeakPolarHBondContact CB-OE2 3.37Å; P72-E104 HydrophobicContact CG-CB 3.94Å; P72-E104 HydrophobicContact CG-CG 4.34Å; D101-E104 PolarHBondContact OD1-N 3.14Å; E104-I106 VanDerWaalsContact C-N 3.32Å; E104-I106 PolarHBondContact O-N 3.03Å; E104-V107 PolarHBondContact O-N 3.1Å; E104-N108 WeakPolarHBondContact O-CB 2.85Å; E104-N108 PolarHBondContact O-N 3.21Å; E104-N108 PolarHBondContact O-ND2 3.26Å
105L92.3Very high91.7Very high0 Ų056.9 Ų56.90%030%0.302CS..Hα-helixtrans-64.6-36.7177.4-68.8169.4000111.9P72 I75 I97 I102 D103 N108 Y109 L117P72-L105 HydrophobicContact CB-CD2 4.2Å; P72-L105 HydrophobicContact CB-CG 4.21Å; P72-L105 HydrophobicContact CG-CG 4.13Å; I75-L105 HydrophobicContact CG2-CD2 4.49Å; I97-L105 HydrophobicContact CG2-CD1 3.75Å; I102-L105 PolarHBondContact O-N 3.18Å; D103-L105 VanDerWaalsContact C-N 3.35Å; D103-L105 PolarHBondContact O-N 3.01Å; L105-N108 PolarHBondContact O-N 2.82Å; L105-Y109 HydrophobicContact CD2-CD2 4.01Å; L105-Y109 HydrophobicContact CD2-CE2 3.92Å; L105-Y109 WeakPolarHBondContact O-CB 3.4Å; L105-Y109 WeakPolarHBondContact O-CD2 3.3Å; L105-Y109 PolarHBondContact O-N 3.18Å; L105-L117 HydrophobicContact CB-CD2 4.21Å; L105-L117 HydrophobicContact CD1-CD2 4.35Å
106I91.1Very high91.6Very high61 Ų6161 Ų6131%0.31332%0.321SS..Hα-helixtrans-63-51.9174.7-70.1164.5000109.5I102 D103 E104 N108 Y109 F110 L117I102-I106 HydrophobicContact CD1-CD1 4.44Å; I102-I106 HydrophobicContact CG1-CD1 4.4Å; I102-I106 VanDerWaalsContact O-CG1 3.24Å; I102-I106 WeakPolarHBondContact O-CG1 3.45Å; I102-I106 PolarHBondContact O-N 2.68Å; D103-I106 PolarHBondContact O-N 3.06Å; E104-I106 VanDerWaalsContact C-N 3.32Å; E104-I106 PolarHBondContact O-N 3.03Å; I106-N108 PolarHBondContact O-N 3.07Å; I106-Y109 PolarHBondContact O-N 3.04Å; I106-F110 HydrophobicContact CG2-CB 3.92Å; I106-F110 HydrophobicContact CG2-CG 4.27Å; I106-F110 WeakPolarHBondContact O-CA 3.23Å; I106-F110 WeakPolarHBondContact O-CB 3.33Å; I106-F110 PolarHBondContact O-N 3.17Å; I106-L117 HydrophobicContact CB-CD1 4.48Å; I106-L117 HydrophobicContact CD1-CD1 4.26Å; I106-L117 HydrophobicContact CG1-CD1 3.36Å
107V91.4Very high91.5Very high117 Ų11762.9 Ų62.971%0.70933%0.331SS*.Hα-helixtrans-57.7-40.5-179.8172.60000111.3D103 E104D103-V107 WeakPolarHBondContact O-CG2 3.47Å; D103-V107 PolarHBondContact O-N 3.03Å; E104-V107 PolarHBondContact O-N 3.1Å
108N90Very high91.3Very high57 Ų5763.1 Ų63.131%0.30533%0.333SS..Hα-helixtrans-81.8-33.2-174.1-70.7-23.7000114E104 L105 I106 K112E104-N108 WeakPolarHBondContact O-CB 2.85Å; E104-N108 PolarHBondContact O-N 3.21Å; E104-N108 PolarHBondContact O-ND2 3.26Å; L105-N108 PolarHBondContact O-N 2.82Å; I106-N108 PolarHBondContact O-N 3.07Å; N108-K112 VanDerWaalsContact O-CD 3.27Å; N108-K112 WeakPolarHBondContact O-CD 3.34Å; N108-K112 WeakPolarHBondContact O-CE 3.01Å; N108-K112 PolarHBondContact O-NZ 3.32Å
109Y91.6Very high91.2Very high3 Ų365.9 Ų65.91%0.01235%0.348CS..Hα-helixtrans-122-17.2-169.7-62-70.4000115.3S76 L79 D80 M83 L105 I106 G111 K112 I113S76-Y109 WeakPolarHBondContact CA-OH 3.2Å; S76-Y109 WeakPolarHBondContact CB-OH 3.42Å; S76-Y109 PolarHBondContact O-OH 2.76Å; S76-Y109 PolarHBondContact OG-OH 3.38Å; L79-Y109 HydrophobicContact CB-CD1 4.36Å; L79-Y109 HydrophobicContact CB-CE1 3.61Å; L79-Y109 HydrophobicContact CB-CE2 4.4Å; L79-Y109 HydrophobicContact CD1-CD1 4.22Å; L79-Y109 HydrophobicContact CD1-CD2 3.86Å; L79-Y109 HydrophobicContact CD1-CE1 4.04Å; L79-Y109 HydrophobicContact CD1-CE2 3.63Å; L79-Y109 HydrophobicContact CD1-CG 4.16Å; L79-Y109 HydrophobicContact CG-CE1 4.49Å; D80-Y109 WeakPolarHBondContact OD1-CE1 3.46Å; D80-Y109 PolarHBondContact OD1-OH 3.33Å; M83-Y109 HydrophobicContact SD-CD1 4.02Å; M83-Y109 HydrophobicContact SD-CE1 4.03Å; L105-Y109 HydrophobicContact CD2-CD2 4.01Å; L105-Y109 HydrophobicContact CD2-CE2 3.92Å; L105-Y109 WeakPolarHBondContact O-CB 3.4Å; L105-Y109 WeakPolarHBondContact O-CD2 3.3Å; L105-Y109 PolarHBondContact O-N 3.18Å; I106-Y109 PolarHBondContact O-N 3.04Å; Y109-G111 PolarHBondContact O-N 3.4Å; Y109-K112 PolarHBondContact O-N 3.2Å; Y109-I113 HydrophobicContact CD1-CD1 3.81Å; Y109-I113 HydrophobicContact CD1-CG1 4.33Å; Y109-I113 HydrophobicContact CG-CD1 4.18Å; Y109-I113 PolarHBondContact O-N 3Å
110F86.5Confident91.1Very high165 Ų16565.9 Ų65.972%0.72435%0.348SS*.THydrogen-bonded Turntrans-62.4133.1-179.9-167.1-98.1000110.8I106 K112I106-F110 HydrophobicContact CG2-CB 3.92Å; I106-F110 HydrophobicContact CG2-CG 4.27Å; I106-F110 WeakPolarHBondContact O-CA 3.23Å; I106-F110 WeakPolarHBondContact O-CB 3.33Å; I106-F110 PolarHBondContact O-N 3.17Å; F110-K112 PolarHBondContact O-N 3.02Å
111G84.7Confident90.9Very high77 Ų7765.8 Ų65.879%0.79435%0.345SS*.THydrogen-bonded Turntrans76.8-14.5-175.100000115.3Y109Y109-G111 PolarHBondContact O-N 3.4Å
112K88.2Confident90.8Very high136 Ų13664.9 Ų64.959%0.59134%0.338SS*.THydrogen-bonded Turntrans-88.5-41174.8-57.8-175.8-170.3163.80112M83 N108 Y109 F110M83-K112 HydrophobicContact CE-CB 3.99Å; M83-K112 HydrophobicContact CE-CD 4.3Å; N108-K112 VanDerWaalsContact O-CD 3.27Å; N108-K112 WeakPolarHBondContact O-CD 3.34Å; N108-K112 WeakPolarHBondContact O-CE 3.01Å; N108-K112 PolarHBondContact O-NZ 3.32Å; Y109-K112 PolarHBondContact O-N 3.2Å; F110-K112 PolarHBondContact O-N 3.02Å
113I89.3Confident90.6Very high24 Ų2468.4 Ų68.412%0.12336%0.362CS..SBendtrans-139.6155.5-179.255.6175.7000110.4M83 Y92 Y109 I115M83-I113 HydrophobicContact CE-CG2 4.1Å; M83-I113 HydrophobicContact CG-CG2 4.28Å; M83-I113 HydrophobicContact SD-CD1 4.27Å; M83-I113 HydrophobicContact SD-CG2 3.95Å; Y92-I113 HydrophobicContact CD1-CB 4.06Å; Y92-I113 HydrophobicContact CD1-CD1 3.67Å; Y92-I113 HydrophobicContact CD1-CG1 4.44Å; Y92-I113 HydrophobicContact CD1-CG2 4.04Å; Y92-I113 HydrophobicContact CD2-CB 4.14Å; Y92-I113 HydrophobicContact CD2-CG2 3.74Å; Y92-I113 HydrophobicContact CE1-CD1 3.96Å; Y92-I113 HydrophobicContact CE1-CG2 4.11Å; Y92-I113 HydrophobicContact CE2-CG2 3.82Å; Y92-I113 HydrophobicContact CG-CB 3.82Å; Y92-I113 HydrophobicContact CG-CD1 4.31Å; Y92-I113 HydrophobicContact CG-CG2 3.86Å; Y109-I113 HydrophobicContact CD1-CD1 3.81Å; Y109-I113 HydrophobicContact CD1-CG1 4.33Å; Y109-I113 HydrophobicContact CG-CD1 4.18Å; Y109-I113 PolarHBondContact O-N 3Å; I113-I115 HydrophobicContact CD1-CD1 4.29Å; I113-I115 HydrophobicContact CD1-CG2 3.67Å; I113-I115 HydrophobicContact CG1-CG1 4.48Å; I113-I115 HydrophobicContact CG1-CG2 4Å; I113-I115 PolarHBondContact O-N 2.88Å
114K91Very high90.4Very high167 Ų16765.4 Ų65.473%0.72635%0.346SS*.  trans-9690.5176.9-175178.9-179.1179.40109.5Y92 S93Y92-K114 CarbonylContact C-O 3.52Å; S93-K114 WeakPolarHBondContact CA-O 3.41Å; S93-K114 PolarHBondContact N-O 3.44Å
115I91.4Very high90.3Very high31 Ų3170.4 Ų70.416%0.15936%0.363CS..  trans-111.9154.9175.556.1177.4000110.9Y92 L95 I97 I113 L117Y92-I115 HydrophobicContact CD1-CG2 4.32Å; L95-I115 HydrophobicContact CB-CG2 4.38Å; I97-I115 HydrophobicContact CG1-CB 4.31Å; I97-I115 HydrophobicContact CG1-CD1 4.1Å; I113-I115 HydrophobicContact CD1-CD1 4.29Å; I113-I115 HydrophobicContact CD1-CG2 3.67Å; I113-I115 HydrophobicContact CG1-CG1 4.48Å; I113-I115 HydrophobicContact CG1-CG2 4Å; I113-I115 PolarHBondContact O-N 2.88Å; I115-L117 HydrophobicContact CD1-CD2 3.57Å; I115-L117 HydrophobicContact CD1-CG 4.27Å; I115-L117 HydrophobicContact CG1-CD2 4.07Å; I115-L117 HydrophobicContact CG1-CG 4.31Å
116H92.5Very high89.9Confident86 Ų8673.6 Ų73.640%0.39838%0.378SS..EExtended strand (participates in β ladder)trans-95.9115.7170.1-175.255.2000109.7L95 I96 I97L95-H116 PolarHBondContact O-N 2.89Å; L95-H116 VanDerWaalsContact O-N 3.11Å; I96-H116 CarbonylContact C-O 3.54Å; I96-H116 WeakPolarHBondContact CA-O 3.06Å; I96-H116 HydrophobicContact CG1-CB 4.3Å; I97-H116 PolarHBondContact N-O 2.84Å
117L93.6Very high89.8Confident42 Ų4277.1 Ų77.122%0.2239%0.393CS..EExtended strand (participates in β ladder)trans-95.3135.3179.2-62.9179000110.5I97 L105 I106 I115I97-L117 HydrophobicContact CB-CD2 3.83Å; I97-L117 HydrophobicContact CG1-CD2 4.35Å; I97-L117 HydrophobicContact CG2-CD2 4.32Å; I97-L117 CarbonylContact O-C 3.6Å; I97-L117 WeakPolarHBondContact O-CA 3.45Å; L105-L117 HydrophobicContact CB-CD2 4.21Å; L105-L117 HydrophobicContact CD1-CD2 4.35Å; I106-L117 HydrophobicContact CB-CD1 4.48Å; I106-L117 HydrophobicContact CD1-CD1 4.26Å; I106-L117 HydrophobicContact CG1-CD1 3.36Å; I115-L117 HydrophobicContact CD1-CD2 3.57Å; I115-L117 HydrophobicContact CD1-CG 4.27Å; I115-L117 HydrophobicContact CG1-CD2 4.07Å; I115-L117 HydrophobicContact CG1-CG 4.31Å
118V93.8Very high89.6Confident5 Ų576.1 Ų76.13%0.0338%0.382CS..EExtended strand (participates in β ladder)trans-128.4127178.7175.60000109.6I96 I97 A98 S99 W120 R132 V133I96-V118 HydrophobicContact CG2-CG2 3.77Å; I97-V118 PolarHBondContact O-N 3.34Å; A98-V118 WeakPolarHBondContact CA-O 3.49Å; A98-V118 HydrophobicContact CB-CB 4.44Å; S99-V118 PolarHBondContact N-O 2.94Å; S99-V118 VanDerWaalsContact N-O 3.09Å; V118-W120 HydrophobicContact CG1-CE3 4.16Å; V118-W120 PolarHBondContact O-N 2.92Å; V118-R132 HydrophobicContact CG1-CB 3.75Å; V118-V133 HydrophobicContact CG1-CG2 4.05Å; V118-V133 HydrophobicContact CG2-CG2 4.33Å
119N92.6Very high89.7Confident59 Ų5973.4 Ų73.432%0.31637%0.367SS..EExtended strand (participates in β ladder)trans-70.9117.6168.2-175.3-1.7000109.6S99 I102 D121 R132S99-N119 WeakPolarHBondContact O-CA 3.25Å; I102-N119 HydrophobicContact CD1-CB 4.45Å; N119-D121 PolarHBondContact OD1-N 3.42Å; N119-R132 PolarHBondContact O-NH1 2.96Å
120W92Very high89.7Confident0 Ų074.6 Ų74.60%037%0.374CS..  trans-111.238.7-172.3-158.7-114.2000113A98 S99 T100 V118 E122 L129 V133 R157 L161A98-W120 HydrophobicContact CB-CB 3.88Å; A98-W120 HydrophobicContact CB-CD2 3.89Å; A98-W120 HydrophobicContact CB-CE3 4.06Å; A98-W120 HydrophobicContact CB-CG 3.84Å; S99-W120 PolarHBondContact O-N 2.75Å; T100-W120 WeakPolarHBondContact CG2-O 3.38Å; V118-W120 HydrophobicContact CG1-CE3 4.16Å; V118-W120 PolarHBondContact O-N 2.92Å; W120-E122 PolarHBondContact O-N 2.98Å; W120-L129 HydrophobicContact CE3-CB 4.31Å; W120-L129 HydrophobicContact CE3-CD2 4.39Å; W120-L129 HydrophobicContact CH2-CB 4.49Å; W120-L129 HydrophobicContact CZ3-CB 4Å; W120-L129 WeakPolarHBondContact CZ3-O 3.27Å; W120-V133 HydrophobicContact CE3-CG2 3.95Å; W120-V133 HydrophobicContact CH2-CG2 4.04Å; W120-V133 HydrophobicContact CZ3-CB 4.44Å; W120-V133 HydrophobicContact CZ3-CG2 3.31Å; W120-R157 HydrophobicContact CH2-CB 4.19Å; W120-R157 HydrophobicContact CZ2-CB 4.03Å; W120-L161 HydrophobicContact CH2-CD1 3.74Å
121D90.1Very high89.9Confident56 Ų5670 Ų7030%0.29936%0.355SS..  trans-67.6122.9177.3-167.8-23.7000112.1N119 T123 D124 L129N119-D121 PolarHBondContact OD1-N 3.42Å; D121-T123 PolarHBondContact O-N 2.89Å; D121-T123 WeakPolarHBondContact OD1-CB 3.39Å; D121-T123 WeakPolarHBondContact OD1-CG2 3.31Å; D121-T123 PolarHBondContact OD1-N 2.84Å; D121-T123 PolarHBondContact OD1-OG1 2.81Å; D121-T123 PolarHBondContact OD2-OG1 2.95Å; D121-D124 PolarHBondContact O-N 3.26Å; D121-L129 VanDerWaalsContact O-CD1 3.26Å; D121-L129 WeakPolarHBondContact O-CD1 3.39Å
122E87.4Confident90.3Very high47 Ų4770.1 Ų70.122%0.2233%0.331CS..THydrogen-bonded Turntrans-72.9-7.7-179.8-59.9-155.7109.200114.9W120 D124 T151 R153 R154 R157W120-E122 PolarHBondContact O-N 2.98Å; E122-D124 VanDerWaalsContact C-N 3.32Å; E122-T151 PolarHBondContact OE1-OG1 2.99Å; E122-T151 WeakPolarHBondContact OE2-CG2 2.92Å; E122-T151 PolarHBondContact OE2-OG1 2.9Å; E122-R153 VanDerWaalsContact OE1-CB 3.26Å; E122-R153 WeakPolarHBondContact OE1-CB 3.47Å; E122-R154 HydrophobicContact CG-CG 4.46Å; E122-R154 WeakPolarHBondContact OE1-CG 3.41Å; E122-R157 IonicContact OE1-NH1 2.76Å
123T89.6Confident90.5Very high118 Ų11863.7 Ų63.772%0.72430%0.303SS*.THydrogen-bonded Turntrans-77.1-20.6173.6650000112.7D121D121-T123 PolarHBondContact O-N 2.89Å; D121-T123 WeakPolarHBondContact OD1-CB 3.39Å; D121-T123 WeakPolarHBondContact OD1-CG2 3.31Å; D121-T123 PolarHBondContact OD1-N 2.84Å; D121-T123 PolarHBondContact OD1-OG1 2.81Å; D121-T123 PolarHBondContact OD2-OG1 2.95Å
124D88.1Confident90.6Very high50 Ų5066.2 Ų66.227%0.26731%0.311SS..SBendtrans-73.4158.2174.7-77.1-29.6000112.5D121 E122 L129 R132D121-D124 PolarHBondContact O-N 3.26Å; E122-D124 VanDerWaalsContact C-N 3.32Å; D124-L129 HydrophobicContact CB-CD1 4.16Å; D124-L129 HydrophobicContact CB-CD2 4.03Å; D124-L129 HydrophobicContact CB-CG 4Å; D124-R132 IonicContact OD2-CZ 3.27Å; D124-R132 IonicContact OD2-NH1 2.75Å; D124-R132 PolarHBondContact OD2-NH1 3.17Å; D124-R132 IonicContact OD2-NH2 2.8Å; D124-R132 PolarHBondContact OD2-NH2 2.92Å
125Y88Confident90.4Very high177 Ų17760 Ų6069%0.69429%0.288SS*.  trans-60.9139.5174.5-70.5-81.6000111.7E127 M128 L129Y125-E127 PolarHBondContact O-N 2.93Å; Y125-M128 HydrophobicContact CD2-SD 4.31Å; Y125-M128 WeakPolarHBondContact O-CB 3.38Å; Y125-M128 PolarHBondContact O-N 2.89Å; Y125-M128 VanDerWaalsContact O-N 3.11Å; Y125-L129 PolarHBondContact O-N 3.34Å
126E85.8Confident89.8Confident68 Ų6868.9 Ų68.932%0.31832%0.319SS..Hα-helixtrans-60.3-44.1-171.4-176.3157.1-148.900112.6M128 L129 I130 R157E126-M128 VanDerWaalsContact C-N 3.28Å; E126-M128 PolarHBondContact O-N 2.85Å; E126-L129 PolarHBondContact O-N 3.35Å; E126-I130 HydrophobicContact CG-CD1 4.34Å; E126-I130 PolarHBondContact O-N 2.82Å; E126-I130 VanDerWaalsContact O-N 3.15Å; E126-R157 HydrophobicContact CG-CG 3.92Å; E126-R157 WeakPolarHBondContact OE1-CG 3.35Å; E126-R157 IonicContact OE1-NE 3.17Å
127E87.1Confident89.3Confident135 Ų13569.4 Ų69.463%0.63133%0.333SS*.Hα-helixtrans-64.4-34.6179.1-60.479.8-177.400111.8Y125 E131Y125-E127 PolarHBondContact O-N 2.93Å; E127-E131 VanDerWaalsContact O-CB 3.31Å; E127-E131 WeakPolarHBondContact O-CB 3.22Å; E127-E131 PolarHBondContact O-N 3.14Å
128M88.8Confident88.8Confident95 Ų9570.8 Ų70.847%0.46834%0.34SS..Hα-helixtrans-67.3-38.5177.6-70.3-174.764.700111.5Y125 E126 E131 R132Y125-M128 HydrophobicContact CD2-SD 4.31Å; Y125-M128 WeakPolarHBondContact O-CB 3.38Å; Y125-M128 PolarHBondContact O-N 2.89Å; Y125-M128 VanDerWaalsContact O-N 3.11Å; E126-M128 VanDerWaalsContact C-N 3.28Å; E126-M128 PolarHBondContact O-N 2.85Å; M128-E131 PolarHBondContact O-N 2.84Å; M128-R132 VanDerWaalsContact O-CG 3.26Å; M128-R132 WeakPolarHBondContact O-CG 3.44Å; M128-R132 PolarHBondContact O-N 2.86Å
129L91.2Very high88.3Confident0 Ų075.8 Ų75.80%037%0.367CS..Hα-helixtrans-67.6-43.2178.6-67.3166.8000111.1W120 D121 D124 Y125 E126 R132 V133W120-L129 HydrophobicContact CE3-CB 4.31Å; W120-L129 HydrophobicContact CE3-CD2 4.39Å; W120-L129 HydrophobicContact CH2-CB 4.49Å; W120-L129 HydrophobicContact CZ3-CB 4Å; W120-L129 WeakPolarHBondContact CZ3-O 3.27Å; D121-L129 VanDerWaalsContact O-CD1 3.26Å; D121-L129 WeakPolarHBondContact O-CD1 3.39Å; D124-L129 HydrophobicContact CB-CD1 4.16Å; D124-L129 HydrophobicContact CB-CD2 4.03Å; D124-L129 HydrophobicContact CB-CG 4Å; Y125-L129 PolarHBondContact O-N 3.34Å; E126-L129 PolarHBondContact O-N 3.35Å; L129-R132 PolarHBondContact O-N 2.68Å; L129-V133 PolarHBondContact O-N 2.83Å
130I92.1Very high88.3Confident28 Ų2873.5 Ų73.514%0.14435%0.354CS..Hα-helixtrans-61.8-46.3175.5-66174.6000110.8E126 R132 V133 R134 R157 E160 L161E126-I130 HydrophobicContact CG-CD1 4.34Å; E126-I130 PolarHBondContact O-N 2.82Å; E126-I130 VanDerWaalsContact O-N 3.15Å; I130-R132 VanDerWaalsContact C-N 3.3Å; I130-R132 PolarHBondContact O-N 2.84Å; I130-V133 PolarHBondContact O-N 2.94Å; I130-V133 VanDerWaalsContact O-N 3.14Å; I130-R134 PolarHBondContact O-N 2.79Å; I130-R157 HydrophobicContact CD1-CG 4.46Å; I130-R157 HydrophobicContact CG1-CB 4.33Å; I130-R157 HydrophobicContact CG1-CG 4.36Å; I130-E160 HydrophobicContact CD1-CB 4.17Å; I130-E160 WeakPolarHBondContact CD1-OE2 3.32Å; I130-L161 HydrophobicContact CG2-CD2 3.98Å; I130-L161 HydrophobicContact CG2-CG 4.5Å
131E91.2Very high88.3Confident70 Ų7074.5 Ų74.533%0.32736%0.36SS..Hα-helixtrans-64.8-31.6-179.9-166.373.2-158.400112.5E127 M128 V133 R134 P135 R136E127-E131 VanDerWaalsContact O-CB 3.31Å; E127-E131 WeakPolarHBondContact O-CB 3.22Å; E127-E131 PolarHBondContact O-N 3.14Å; M128-E131 PolarHBondContact O-N 2.84Å; E131-V133 VanDerWaalsContact C-N 3.34Å; E131-R134 CarbonylContact O-C 3.41Å; E131-P135 WeakPolarHBondContact O-CA 3.24Å; E131-P135 WeakPolarHBondContact O-CD 3.36Å; E131-P135 WeakPolarHBondContact O-CG 3.36Å; E131-P135 VanDerWaalsContact O-N 3.08Å; E131-P135 WeakPolarHBondContact OE1-CA 3.21Å; E131-R136 PolarHBondContact OE1-N 2.86Å; E131-R136 WeakPolarHBondContact OE2-CG 3.37Å; E131-R136 IonicContact OE2-NE 2.68Å; E131-R136 PolarHBondContact OE2-NE 3.44Å
132R92.1Very high88.5Confident78 Ų7871.8 Ų71.829%0.29435%0.346SS..Hα-helixtrans-66.6-34.4173.7-74.7172-169.3165.67.4112.9V118 N119 D124 M128 L129 I130V118-R132 HydrophobicContact CG1-CB 3.75Å; N119-R132 PolarHBondContact O-NH1 2.96Å; D124-R132 IonicContact OD2-CZ 3.27Å; D124-R132 IonicContact OD2-NH1 2.75Å; D124-R132 PolarHBondContact OD2-NH1 3.17Å; D124-R132 IonicContact OD2-NH2 2.8Å; D124-R132 PolarHBondContact OD2-NH2 2.92Å; M128-R132 VanDerWaalsContact O-CG 3.26Å; M128-R132 WeakPolarHBondContact O-CG 3.44Å; M128-R132 PolarHBondContact O-N 2.86Å; L129-R132 PolarHBondContact O-N 2.68Å; I130-R132 VanDerWaalsContact C-N 3.3Å; I130-R132 PolarHBondContact O-N 2.84Å
133V92.8Very high88.9Confident1 Ų170.6 Ų70.61%0.00634%0.342CS..Hα-helixtrans-78-50.7175.8170.90000110.1L67 I96 V118 W120 L129 I130 E131 F140 I142 L161L67-V133 HydrophobicContact CD1-CG1 4.31Å; L67-V133 HydrophobicContact CD1-CG2 4.32Å; L67-V133 HydrophobicContact CD2-CG1 4.17Å; I96-V133 HydrophobicContact CD1-CG1 4.12Å; V118-V133 HydrophobicContact CG1-CG2 4.05Å; V118-V133 HydrophobicContact CG2-CG2 4.33Å; W120-V133 HydrophobicContact CE3-CG2 3.95Å; W120-V133 HydrophobicContact CH2-CG2 4.04Å; W120-V133 HydrophobicContact CZ3-CB 4.44Å; W120-V133 HydrophobicContact CZ3-CG2 3.31Å; L129-V133 PolarHBondContact O-N 2.83Å; I130-V133 PolarHBondContact O-N 2.94Å; I130-V133 VanDerWaalsContact O-N 3.14Å; E131-V133 VanDerWaalsContact C-N 3.34Å; V133-F140 VanDerWaalsContact O-CZ 3.3Å; V133-F140 WeakPolarHBondContact O-CZ 3.44Å; V133-I142 HydrophobicContact CG1-CD1 3.9Å; V133-L161 HydrophobicContact CB-CD1 4.14Å; V133-L161 HydrophobicContact CB-CD2 4.08Å; V133-L161 HydrophobicContact CG1-CD1 3.99Å; V133-L161 HydrophobicContact CG1-CD2 3.83Å; V133-L161 HydrophobicContact CG2-CD1 4.33Å
134R90.9Very high89.2Confident77 Ų7765 Ų6529%0.29131%0.308SS..SBendtrans-129.585.8-175.3-171.7-178.1-173.7174.65.5109.9I130 E131 F140 L161 E163I130-R134 PolarHBondContact O-N 2.79Å; E131-R134 CarbonylContact O-C 3.41Å; R134-F140 HydrophobicContact CB-CE2 4.35Å; R134-F140 HydrophobicContact CB-CZ 3.9Å; R134-F140 HydrophobicContact CG-CE1 4.36Å; R134-F140 HydrophobicContact CG-CE2 4.14Å; R134-F140 HydrophobicContact CG-CZ 3.85Å; R134-F140 VanDerWaalsContact CZ-O 3.29Å; R134-F140 PolarHBondContact NE-O 3.49Å; R134-F140 PolarHBondContact NH2-O 2.84Å; R134-L161 HydrophobicContact CB-CD2 3.88Å; R134-E163 IonicContact NH1-OE1 3.72Å
135P86.7Confident89.6Confident36 Ų3662.6 Ų62.623%0.23430%0.295CS..  trans-57.6145.6172.8-22.832.5000110.7E131 S137 D138E131-P135 WeakPolarHBondContact O-CA 3.24Å; E131-P135 WeakPolarHBondContact O-CD 3.36Å; E131-P135 WeakPolarHBondContact O-CG 3.36Å; E131-P135 VanDerWaalsContact O-N 3.08Å; E131-P135 WeakPolarHBondContact OE1-CA 3.21Å; P135-S137 PolarHBondContact O-N 2.83Å; P135-D138 HydrophobicContact CB-CB 4.49Å; P135-D138 WeakPolarHBondContact O-CB 3.5Å; P135-D138 PolarHBondContact O-N 3.11Å
136R80.4Confident90Very high219 Ų21954.2 Ų54.283%0.82626%0.262SS*.THydrogen-bonded Turntrans-59.7-22.1179.3-71.9170.5-172-166.5-2114.1E131 D138E131-R136 PolarHBondContact OE1-N 2.86Å; E131-R136 WeakPolarHBondContact OE2-CG 3.37Å; E131-R136 IonicContact OE2-NE 2.68Å; E131-R136 PolarHBondContact OE2-NE 3.44Å; R136-D138 VanDerWaalsContact C-N 3.28Å
137S81.2Confident90.5Very high97 Ų9751 Ų5168%0.67825%0.247SC*.THydrogen-bonded Turntrans-74.8-19.1175.355.30000113.6P135P135-S137 PolarHBondContact O-N 2.83Å
138D82.3Confident90.7Very high71 Ų7144.7 Ų44.738%0.3822%0.217SC..  trans-95119.3-168.6-82.119.9000111.2P135 R136 F140P135-D138 HydrophobicContact CB-CB 4.49Å; P135-D138 WeakPolarHBondContact O-CB 3.5Å; P135-D138 PolarHBondContact O-N 3.11Å; R136-D138 VanDerWaalsContact C-N 3.28Å; D138-F140 HydrophobicContact CB-CD1 3.72Å; D138-F140 HydrophobicContact CB-CE1 3.63Å; D138-F140 PolarHBondContact O-N 3.12Å
139N84Confident90.7Very high109 Ų10943.2 Ų43.258%0.58321%0.209SC*.  trans-100.464.8179.5-63-38.9000111.5Y60Y60-N139 WeakPolarHBondContact OH-CB 3.45Å
140F91.8Very high90.7Very high11 Ų1144.2 Ų44.25%0.04822%0.216CC..EExtended strand (participates in β ladder)trans-115.9164.5166.467.7-101.2000110.2R63 K65 I96 V133 R134 D138 I142R63-F140 HydrophobicContact CB-CB 4.22Å; R63-F140 CarbonylContact O-C 3.5Å; R63-F140 WeakPolarHBondContact O-CA 3.4Å; R63-F140 WeakPolarHBondContact O-CB 3.32Å; K65-F140 HydrophobicContact CB-CD2 3.58Å; K65-F140 HydrophobicContact CB-CE2 3.82Å; K65-F140 HydrophobicContact CB-CG 4.25Å; K65-F140 HydrophobicContact CG-CB 3.9Å; K65-F140 HydrophobicContact CG-CD1 4.01Å; K65-F140 HydrophobicContact CG-CD2 3.31Å; K65-F140 HydrophobicContact CG-CE1 4.38Å; K65-F140 HydrophobicContact CG-CE2 3.74Å; K65-F140 HydrophobicContact CG-CG 3.47Å; K65-F140 VanDerWaalsContact CG-CG 3.47Å; K65-F140 HydrophobicContact CG-CZ 4.25Å; I96-F140 HydrophobicContact CD1-CE2 4.02Å; I96-F140 HydrophobicContact CD1-CZ 3.87Å; V133-F140 VanDerWaalsContact O-CZ 3.3Å; V133-F140 WeakPolarHBondContact O-CZ 3.44Å; R134-F140 HydrophobicContact CB-CE2 4.35Å; R134-F140 HydrophobicContact CB-CZ 3.9Å; R134-F140 HydrophobicContact CG-CE1 4.36Å; R134-F140 HydrophobicContact CG-CE2 4.14Å; R134-F140 HydrophobicContact CG-CZ 3.85Å; R134-F140 VanDerWaalsContact CZ-O 3.29Å; R134-F140 PolarHBondContact NE-O 3.49Å; R134-F140 PolarHBondContact NH2-O 2.84Å; D138-F140 HydrophobicContact CB-CD1 3.72Å; D138-F140 HydrophobicContact CB-CE1 3.63Å; D138-F140 PolarHBondContact O-N 3.12Å; F140-I142 HydrophobicContact CD2-CG1 4.02Å; F140-I142 HydrophobicContact CE2-CD1 3.89Å; F140-I142 HydrophobicContact CE2-CG1 3.63Å
141V92.6Very high90.5Very high21 Ų2144.7 Ų44.713%0.12722%0.22CC..EExtended strand (participates in β ladder)trans-116.8152.9174.3-66.70000110P62 R63 Q64 K65 P143 E163P62-V141 HydrophobicContact CB-CG1 3.83Å; P62-V141 HydrophobicContact CB-CG2 4.35Å; P62-V141 HydrophobicContact CG-CB 4.44Å; P62-V141 HydrophobicContact CG-CG1 3.57Å; P62-V141 HydrophobicContact CG-CG2 4.04Å; R63-V141 PolarHBondContact O-N 2.9Å; Q64-V141 HydrophobicContact CG-CG2 3.98Å; K65-V141 PolarHBondContact N-O 3.26Å; V141-P143 VanDerWaalsContact O-CD 3.31Å; V141-P143 WeakPolarHBondContact O-CD 3.39Å; V141-E163 HydrophobicContact CB-CG 3.74Å; V141-E163 HydrophobicContact CG1-CG 4.28Å; V141-E163 WeakPolarHBondContact CG1-OE1 3.3Å
142I95.4Very high90.4Very high0 Ų042.8 Ų42.80%021%0.212CC..EExtended strand (participates in β ladder)trans-113.891.9177.6-55175.4000108.6K65 L67 V133 F140 L144 I145 L161 L162 E163K65-I142 HydrophobicContact CB-CG1 4.45Å; K65-I142 WeakPolarHBondContact O-CA 3.32Å; L67-I142 HydrophobicContact CB-CG2 4.17Å; V133-I142 HydrophobicContact CG1-CD1 3.9Å; F140-I142 HydrophobicContact CD2-CG1 4.02Å; F140-I142 HydrophobicContact CE2-CD1 3.89Å; F140-I142 HydrophobicContact CE2-CG1 3.63Å; I142-L144 WeakPolarHBondContact CG2-O 3.21Å; I142-I145 HydrophobicContact CG2-CD1 3.97Å; I142-I145 HydrophobicContact CG2-CG1 3.51Å; I142-L161 HydrophobicContact CD1-CB 4.12Å; I142-L161 HydrophobicContact CD1-CD2 4.28Å; I142-L162 WeakPolarHBondContact O-CD1 3.25Å; I142-E163 PolarHBondContact O-N 2.71Å
143P94.5Very high90.3Very high22 Ų2246.5 Ų46.514%0.14323%0.226CC..EExtended strand (participates in β ladder)trans-80.2-16178.732.1-37000113.4T17 Q64 K65 V141 G166 T167T17-P143 HydrophobicContact CG2-CB 4.43Å; T17-P143 HydrophobicContact CG2-CG 3.82Å; Q64-P143 HydrophobicContact CB-CG 4.21Å; Q64-P143 HydrophobicContact CG-CG 4.29Å; K65-P143 WeakPolarHBondContact O-CD 3.22Å; V141-P143 VanDerWaalsContact O-CD 3.31Å; V141-P143 WeakPolarHBondContact O-CD 3.39Å; P143-G166 CarbonylContact O-C 3.08Å; P143-G166 VanDerWaalsContact O-CA 3.23Å; P143-G166 WeakPolarHBondContact O-CA 3.47Å; P143-T167 PolarHBondContact O-N 3.04Å
144L96.2Very high90.3Very high0 Ų047 Ų470%023%0.228CC..EExtended strand (participates in β ladder)trans-138.4130.5-178.8175.566000110.6L13 I14 T17 I66 L67 I142 I146 T167 V169L13-L144 HydrophobicContact CD2-CD1 3.84Å; L13-L144 HydrophobicContact CD2-CD2 4.34Å; L13-L144 HydrophobicContact CG-CD1 4.21Å; L13-L144 HydrophobicContact CG-CD2 3.98Å; I14-L144 HydrophobicContact CG1-CD2 4.23Å; T17-L144 HydrophobicContact CG2-CB 3.96Å; T17-L144 HydrophobicContact CG2-CD2 4.44Å; I66-L144 HydrophobicContact CD1-CD2 4.23Å; I66-L144 HydrophobicContact CG1-CB 4.27Å; I66-L144 HydrophobicContact CG1-CD2 4.46Å; I66-L144 HydrophobicContact CG2-CB 4.17Å; I66-L144 HydrophobicContact CG2-CD2 3.83Å; I66-L144 HydrophobicContact CG2-CG 3.98Å; L67-L144 PolarHBondContact N-O 3.25Å; I142-L144 WeakPolarHBondContact CG2-O 3.21Å; L144-I146 HydrophobicContact CD1-CG1 4.48Å; L144-I146 HydrophobicContact CG-CG1 4.5Å; L144-T167 WeakPolarHBondContact CA-O 3.42Å; L144-T167 HydrophobicContact CD1-CG2 3.99Å; L144-V169 HydrophobicContact CD1-CG2 3.97Å
145I97.6Very high90.3Very high0 Ų043.4 Ų43.40%021%0.214CC..EExtended strand (participates in β ladder)trans-125.7135.6167.6-57.1-175.2000109.2L67 I142 I158 L161 L162 T167 L168 V169L67-I145 HydrophobicContact CB-CG1 4.08Å; L67-I145 HydrophobicContact CB-CG2 4.42Å; L67-I145 HydrophobicContact CD2-CD1 3.98Å; L67-I145 HydrophobicContact CD2-CG1 4.34Å; L67-I145 HydrophobicContact CD2-CG2 4.24Å; L67-I145 HydrophobicContact CG-CG2 4.33Å; L67-I145 CarbonylContact O-C 3.58Å; L67-I145 VanDerWaalsContact O-CA 3.27Å; L67-I145 WeakPolarHBondContact O-CA 3.47Å; I142-I145 HydrophobicContact CG2-CD1 3.97Å; I142-I145 HydrophobicContact CG2-CG1 3.51Å; I145-I158 HydrophobicContact CB-CG2 4.34Å; I145-I158 HydrophobicContact CD1-CB 4.31Å; I145-I158 HydrophobicContact CD1-CG1 4.39Å; I145-I158 HydrophobicContact CD1-CG2 3.77Å; I145-I158 HydrophobicContact CG2-CD1 4.01Å; I145-I158 HydrophobicContact CG2-CG1 4.12Å; I145-I158 HydrophobicContact CG2-CG2 4.09Å; I145-L161 HydrophobicContact CD1-CB 4.17Å; I145-L162 HydrophobicContact CB-CD1 4.31Å; I145-L162 HydrophobicContact CD1-CB 3.68Å; I145-L162 HydrophobicContact CD1-CD1 4.1Å; I145-L162 HydrophobicContact CD1-CG 4.45Å; I145-L162 HydrophobicContact CG1-CB 4.28Å; I145-L162 HydrophobicContact CG1-CD1 3.71Å; I145-T167 PolarHBondContact N-O 2.85Å; I145-L168 HydrophobicContact CB-CD1 3.98Å; I145-L168 HydrophobicContact CG2-CD1 3.97Å; I145-L168 CarbonylContact O-C 3.59Å; I145-L168 WeakPolarHBondContact O-CA 3.32Å; I145-V169 PolarHBondContact O-N 2.91Å
146I96.3Very high90.5Very high1 Ų146.9 Ų46.91%0.00523%0.226CC..EExtended strand (participates in β ladder)trans-114.2121.6170-57.2167.7000107.4L10 I14 L67 I68 C69 L144 F148 V169 P171L10-I146 HydrophobicContact CD2-CD1 4.15Å; L10-I146 HydrophobicContact CD2-CG1 4.41Å; L10-I146 HydrophobicContact CD2-CG2 4.14Å; I14-I146 HydrophobicContact CD1-CD1 3.89Å; I14-I146 HydrophobicContact CG1-CD1 3.93Å; L67-I146 PolarHBondContact O-N 2.66Å; I68-I146 WeakPolarHBondContact CA-O 3.18Å; I68-I146 HydrophobicContact CG1-CD1 4.48Å; I68-I146 HydrophobicContact CG2-CB 4.39Å; C69-I146 PolarHBondContact N-O 3.48Å; L144-I146 HydrophobicContact CD1-CG1 4.48Å; L144-I146 HydrophobicContact CG-CG1 4.5Å; I146-F148 HydrophobicContact CG2-CD2 4.22Å; I146-F148 HydrophobicContact CG2-CE1 4.38Å; I146-F148 HydrophobicContact CG2-CE2 3.79Å; I146-F148 HydrophobicContact CG2-CZ 3.89Å; I146-V169 WeakPolarHBondContact CA-O 3.41Å; I146-V169 HydrophobicContact CG1-CB 4.24Å; I146-V169 HydrophobicContact CG1-CG2 4.45Å; I146-P171 HydrophobicContact CG2-CG 4.2Å
147E94.8Very high91.2Very high0 Ų036.8 Ų36.80%019%0.187CC..EExtended strand (participates in β ladder)trans-120.4106.1-179.5173.960.6-10000110.4C69 Q149 P150 R154 I158 L168 V169 P171C69-E147 HydrophobicContact CB-CB 4.47Å; C69-E147 WeakPolarHBondContact CB-OE2 3.2Å; E147-Q149 WeakPolarHBondContact OE1-CA 3.17Å; E147-Q149 PolarHBondContact OE1-N 3.36Å; E147-Q149 VanDerWaalsContact OE1-O 3.09Å; E147-P150 HydrophobicContact CG-CB 3.66Å; E147-R154 IonicContact OE1-NH1 3.86Å; E147-R154 WeakPolarHBondContact OE2-CD 3.45Å; E147-I158 HydrophobicContact CB-CD1 3.66Å; E147-I158 HydrophobicContact CG-CD1 3.77Å; E147-I158 WeakPolarHBondContact OE2-CD1 3.36Å; E147-L168 HydrophobicContact CB-CD1 4.34Å; E147-V169 PolarHBondContact N-O 3.28Å; E147-P171 WeakPolarHBondContact O-CD 3.46Å
148F92.8Very high91.8Very high2 Ų232.1 Ų32.11%0.00916%0.155CC..SBendtrans-82.2-22.8-178.3-70.9-74.1000113.8Y2 L10 I68 C69 D74 I75 I146 P171 S172Y2-F148 HydrophobicContact CD2-CD1 4.45Å; Y2-F148 HydrophobicContact CD2-CE1 4.19Å; Y2-F148 HydrophobicContact CE1-CD1 4.05Å; Y2-F148 HydrophobicContact CE1-CE1 4.27Å; Y2-F148 AromaticContact CE2-CD1 3.58Å; Y2-F148 HydrophobicContact CE2-CD1 3.58Å; Y2-F148 AromaticContact CE2-CE1 3.76Å; Y2-F148 HydrophobicContact CE2-CE1 3.76Å; Y2-F148 AromaticContact CZ-CD1 3.37Å; Y2-F148 AromaticContact CZ-CE1 3.84Å; Y2-F148 WeakPolarHBondContact OH-CD1 3.4Å; L10-F148 HydrophobicContact CD1-CE1 3.78Å; L10-F148 HydrophobicContact CD1-CZ 3.8Å; I68-F148 HydrophobicContact CG2-CD2 4.17Å; I68-F148 HydrophobicContact CG2-CE2 3.66Å; C69-F148 WeakPolarHBondContact O-CD2 3.5Å; C69-F148 PolarHBondContact O-N 2.65Å; D74-F148 HydrophobicContact CB-CB 3.65Å; D74-F148 HydrophobicContact CB-CD1 4.08Å; D74-F148 HydrophobicContact CB-CD2 4.17Å; D74-F148 HydrophobicContact CB-CG 3.73Å; I75-F148 HydrophobicContact CG1-CD2 3.99Å; I75-F148 HydrophobicContact CG1-CE2 4.15Å; I146-F148 HydrophobicContact CG2-CD2 4.22Å; I146-F148 HydrophobicContact CG2-CE1 4.38Å; I146-F148 HydrophobicContact CG2-CE2 3.79Å; I146-F148 HydrophobicContact CG2-CZ 3.89Å; F148-P171 HydrophobicContact CD1-CB 4.07Å; F148-P171 HydrophobicContact CD1-CG 3.64Å; F148-P171 HydrophobicContact CE1-CB 4.29Å; F148-P171 HydrophobicContact CE1-CG 3.71Å; F148-S172 PolarHBondContact O-OG 2.86Å
149Q88.8Confident92.4Very high65 Ų6530.7 Ų30.730%0.30414%0.144SC..SBendtrans-135.167.8-177.5-69.9-162.1-7.100109.5L71 D74 E147 T151 R154L71-Q149 VanDerWaalsContact CG-NE2 3.27Å; D74-Q149 WeakPolarHBondContact OD2-CG 3.48Å; D74-Q149 PolarHBondContact OD2-NE2 3.01Å; E147-Q149 WeakPolarHBondContact OE1-CA 3.17Å; E147-Q149 PolarHBondContact OE1-N 3.36Å; E147-Q149 VanDerWaalsContact OE1-O 3.09Å; Q149-T151 PolarHBondContact O-N 2.92Å; Q149-R154 WeakPolarHBondContact O-CD 3.4Å; Q149-R154 PolarHBondContact O-NH1 3.47Å
150P90Very high92.9Very high20 Ų2031.5 Ų31.513%0.1315%0.145CC..  trans-64.6138.7-174.233.3-39.9000108.6E147 M155 V170 W177E147-P150 HydrophobicContact CG-CB 3.66Å; P150-M155 HydrophobicContact CB-CG 4.18Å; P150-M155 HydrophobicContact CB-SD 3.89Å; P150-V170 HydrophobicContact CB-CG1 4.24Å; P150-V170 HydrophobicContact CG-CG1 3.72Å; P150-W177 HydrophobicContact CB-CH2 3.55Å; P150-W177 HydrophobicContact CB-CZ3 3.53Å; P150-W177 HydrophobicContact CG-CH2 3.88Å; P150-W177 HydrophobicContact CG-CZ3 3.91Å; P150-W177 WeakPolarHBondContact O-CH2 3.45Å; P150-W177 WeakPolarHBondContact O-CZ2 3.27Å
151T89.2Confident93Very high39 Ų3931.1 Ų31.124%0.23914%0.143CC..  trans-121.6163.7157.3770000108.3E122 Q149 R153 R154 M155 W177E122-T151 PolarHBondContact OE1-OG1 2.99Å; E122-T151 WeakPolarHBondContact OE2-CG2 2.92Å; E122-T151 PolarHBondContact OE2-OG1 2.9Å; Q149-T151 PolarHBondContact O-N 2.92Å; T151-R153 PolarHBondContact O-N 2.73Å; T151-R153 PolarHBondContact OG1-N 3.37Å; T151-R154 PolarHBondContact O-N 3.27Å; T151-R154 WeakPolarHBondContact OG1-CG 3.17Å; T151-R154 PolarHBondContact OG1-N 3.42Å; T151-M155 WeakPolarHBondContact O-CB 3.17Å; T151-M155 WeakPolarHBondContact O-CG 3.44Å; T151-M155 PolarHBondContact O-N 3.49Å; T151-W177 VanDerWaalsContact C-CH2 3.48Å; T151-W177 VanDerWaalsContact CA-CH2 3.45Å
152I88.6Confident93.2Very high29 Ų2930.5 Ų30.515%0.14914%0.139CC..Hα-helixtrans-61.8-33.8177.4-58.8-55.2000112.3K156 W177 Y181 L184I152-K156 WeakPolarHBondContact O-CG 3.33Å; I152-K156 PolarHBondContact O-N 2.84Å; I152-K156 VanDerWaalsContact O-N 3.12Å; I152-W177 HydrophobicContact CD1-CD2 3.67Å; I152-W177 HydrophobicContact CD1-CE3 3.87Å; I152-W177 HydrophobicContact CD1-CG 4.07Å; I152-W177 HydrophobicContact CD1-CH2 4.02Å; I152-W177 HydrophobicContact CD1-CZ2 3.97Å; I152-W177 HydrophobicContact CD1-CZ3 4.02Å; I152-W177 HydrophobicContact CG1-CZ2 4.33Å; I152-Y181 HydrophobicContact CD1-CD1 4.24Å; I152-Y181 HydrophobicContact CD1-CD2 3.19Å; I152-Y181 HydrophobicContact CD1-CE1 4.29Å; I152-Y181 HydrophobicContact CD1-CE2 3.26Å; I152-Y181 HydrophobicContact CD1-CG 3.72Å; I152-Y181 HydrophobicContact CG1-CD2 3.92Å; I152-Y181 HydrophobicContact CG1-CE1 4.1Å; I152-Y181 HydrophobicContact CG1-CE2 3.45Å; I152-Y181 VanDerWaalsContact CG1-CE2 3.45Å; I152-Y181 HydrophobicContact CG1-CG 4.42Å; I152-Y181 HydrophobicContact CG2-CD1 4.08Å; I152-Y181 HydrophobicContact CG2-CE1 3.85Å; I152-L184 HydrophobicContact CG2-CD2 4.41Å
153R89.5Confident93.1Very high157 Ų15733.1 Ų33.159%0.59215%0.151SC*.Hα-helixtrans-68.4-46.4175.3-71.8177.8179.4-177.7-0.2110.8E122 T151 M155 K156 R157E122-R153 VanDerWaalsContact OE1-CB 3.26Å; E122-R153 WeakPolarHBondContact OE1-CB 3.47Å; T151-R153 PolarHBondContact O-N 2.73Å; T151-R153 PolarHBondContact OG1-N 3.37Å; R153-M155 PolarHBondContact O-N 3.03Å; R153-K156 PolarHBondContact O-N 3.19Å; R153-R157 WeakPolarHBondContact O-CG 3.38Å; R153-R157 PolarHBondContact O-N 3.08Å
154R92Very high92.8Very high11 Ų1139 Ų394%0.04217%0.174CC..Hα-helixtrans-58-45.8173.5-70-177.5-179.6-179.8-1.5112.4E122 E147 Q149 T151 K156 R157 I158E122-R154 HydrophobicContact CG-CG 4.46Å; E122-R154 WeakPolarHBondContact OE1-CG 3.41Å; E147-R154 IonicContact OE1-NH1 3.86Å; E147-R154 WeakPolarHBondContact OE2-CD 3.45Å; Q149-R154 WeakPolarHBondContact O-CD 3.4Å; Q149-R154 PolarHBondContact O-NH1 3.47Å; T151-R154 PolarHBondContact O-N 3.27Å; T151-R154 WeakPolarHBondContact OG1-CG 3.17Å; T151-R154 PolarHBondContact OG1-N 3.42Å; R154-K156 VanDerWaalsContact C-N 3.34Å; R154-K156 PolarHBondContact O-N 3.05Å; R154-R157 PolarHBondContact O-N 2.64Å; R154-I158 WeakPolarHBondContact O-CB 3.13Å; R154-I158 VanDerWaalsContact O-CG1 3.25Å; R154-I158 WeakPolarHBondContact O-CG1 3.4Å; R154-I158 PolarHBondContact O-N 3.26Å
155M91.5Very high92.5Very high1 Ų143.6 Ų43.61%0.00520%0.199CC..Hα-helixtrans-61.3-40.9180-66.5-66.1-7300111.9P150 T151 R153 I158 R159 L168 V170 W177 L184 M185 F188P150-M155 HydrophobicContact CB-CG 4.18Å; P150-M155 HydrophobicContact CB-SD 3.89Å; T151-M155 WeakPolarHBondContact O-CB 3.17Å; T151-M155 WeakPolarHBondContact O-CG 3.44Å; T151-M155 PolarHBondContact O-N 3.49Å; R153-M155 PolarHBondContact O-N 3.03Å; M155-I158 PolarHBondContact O-N 3.07Å; M155-R159 PolarHBondContact O-N 3.47Å; M155-L168 HydrophobicContact CE-CD2 3.49Å; M155-L168 VanDerWaalsContact CE-CD2 3.49Å; M155-L168 HydrophobicContact SD-CD2 4.07Å; M155-V170 HydrophobicContact CE-CG2 4.25Å; M155-V170 HydrophobicContact SD-CG2 4.37Å; M155-W177 HydrophobicContact CG-CH2 4.35Å; M155-W177 HydrophobicContact CG-CZ3 3.75Å; M155-W177 HydrophobicContact SD-CZ3 4.48Å; M155-L184 HydrophobicContact CB-CD2 3.83Å; M155-M185 HydrophobicContact CE-CE 4.49Å; M155-M185 HydrophobicContact CE-SD 4.13Å; M155-F188 HydrophobicContact CE-CD2 4.27Å; M155-F188 HydrophobicContact CE-CE2 3.67Å; M155-F188 HydrophobicContact CE-CZ 4.14Å; M155-F188 WeakPolarHBondContact O-CZ 3.44Å
156K92.1Very high92.3Very high110 Ų11043.7 Ų43.748%0.47820%0.2SC..Hα-helixtrans-60.2-47.3174.5-74.4176.9176.5-171.60112.1I152 R153 R154 I158 R159 E160 L184I152-K156 WeakPolarHBondContact O-CG 3.33Å; I152-K156 PolarHBondContact O-N 2.84Å; I152-K156 VanDerWaalsContact O-N 3.12Å; R153-K156 PolarHBondContact O-N 3.19Å; R154-K156 VanDerWaalsContact C-N 3.34Å; R154-K156 PolarHBondContact O-N 3.05Å; K156-I158 PolarHBondContact O-N 2.74Å; K156-R159 WeakPolarHBondContact O-CB 3.23Å; K156-R159 PolarHBondContact O-N 3.27Å; K156-R159 VanDerWaalsContact O-N 3.11Å; K156-E160 PolarHBondContact O-N 2.8Å; K156-L184 HydrophobicContact CG-CD1 4.21Å; K156-L184 HydrophobicContact CG-CD2 4.05Å
157R93.3Very high92.2Very high6 Ų644.5 Ų44.52%0.02321%0.205CC..Hα-helixtrans-60.9-45176.3-63.3167.2-170163.9-5.6112.3W120 E122 E126 I130 R153 R154 R159 E160 L161W120-R157 HydrophobicContact CH2-CB 4.19Å; W120-R157 HydrophobicContact CZ2-CB 4.03Å; E122-R157 IonicContact OE1-NH1 2.76Å; E126-R157 HydrophobicContact CG-CG 3.92Å; E126-R157 WeakPolarHBondContact OE1-CG 3.35Å; E126-R157 IonicContact OE1-NE 3.17Å; I130-R157 HydrophobicContact CD1-CG 4.46Å; I130-R157 HydrophobicContact CG1-CB 4.33Å; I130-R157 HydrophobicContact CG1-CG 4.36Å; R153-R157 WeakPolarHBondContact O-CG 3.38Å; R153-R157 PolarHBondContact O-N 3.08Å; R154-R157 PolarHBondContact O-N 2.64Å; R157-R159 PolarHBondContact O-N 2.75Å; R157-E160 PolarHBondContact O-N 2.86Å; R157-E160 VanDerWaalsContact O-N 3.07Å; R157-L161 WeakPolarHBondContact O-CG 3.5Å; R157-L161 PolarHBondContact O-N 3.26Å
158I95Very high92.2Very high0 Ų044.5 Ų44.50%021%0.205CC..Hα-helixtrans-56.8-38.9175.3-76.5175.1000110.5I145 E147 R154 M155 K156 E160 L161 L162 L168 F188I145-I158 HydrophobicContact CB-CG2 4.34Å; I145-I158 HydrophobicContact CD1-CB 4.31Å; I145-I158 HydrophobicContact CD1-CG1 4.39Å; I145-I158 HydrophobicContact CD1-CG2 3.77Å; I145-I158 HydrophobicContact CG2-CD1 4.01Å; I145-I158 HydrophobicContact CG2-CG1 4.12Å; I145-I158 HydrophobicContact CG2-CG2 4.09Å; E147-I158 HydrophobicContact CB-CD1 3.66Å; E147-I158 HydrophobicContact CG-CD1 3.77Å; E147-I158 WeakPolarHBondContact OE2-CD1 3.36Å; R154-I158 WeakPolarHBondContact O-CB 3.13Å; R154-I158 VanDerWaalsContact O-CG1 3.25Å; R154-I158 WeakPolarHBondContact O-CG1 3.4Å; R154-I158 PolarHBondContact O-N 3.26Å; M155-I158 PolarHBondContact O-N 3.07Å; K156-I158 PolarHBondContact O-N 2.74Å; I158-E160 VanDerWaalsContact C-N 3.33Å; I158-E160 PolarHBondContact O-N 3.26Å; I158-L161 PolarHBondContact O-N 3.04Å; I158-L162 VanDerWaalsContact O-CB 3.23Å; I158-L162 WeakPolarHBondContact O-CB 3.38Å; I158-L162 PolarHBondContact O-N 3.47Å; I158-L168 HydrophobicContact CD1-CD1 4.46Å; I158-L168 HydrophobicContact CG2-CD1 3.69Å; I158-L168 HydrophobicContact CG2-CD2 3.92Å; I158-L168 HydrophobicContact CG2-CG 4.38Å; I158-F188 HydrophobicContact CG2-CE1 3.79Å; I158-F188 HydrophobicContact CG2-CZ 4.09Å
159R94.3Very high92.2Very high41 Ų4144.4 Ų44.416%0.15520%0.204CC..Hα-helixtrans-64.1-38.5177.1-174.259.3-761616.5112.3M155 K156 R157 L161 L162 E163 L184 S187 F188M155-R159 PolarHBondContact O-N 3.47Å; K156-R159 WeakPolarHBondContact O-CB 3.23Å; K156-R159 PolarHBondContact O-N 3.27Å; K156-R159 VanDerWaalsContact O-N 3.11Å; R157-R159 PolarHBondContact O-N 2.75Å; R159-L161 VanDerWaalsContact C-N 3.32Å; R159-L162 VanDerWaalsContact NH2-C 3.33Å; R159-L162 VanDerWaalsContact NH2-CB 3.28Å; R159-L162 PolarHBondContact NH2-O 2.91Å; R159-E163 PolarHBondContact NH2-O 2.8Å; R159-L184 HydrophobicContact CB-CD1 4.41Å; R159-S187 WeakPolarHBondContact CD-O 3.36Å; R159-S187 WeakPolarHBondContact CD-OG 3.44Å; R159-S187 WeakPolarHBondContact CG-OG 3.43Å; R159-S187 PolarHBondContact NH1-O 2.97Å; R159-F188 HydrophobicContact CB-CE1 3.83Å; R159-F188 HydrophobicContact CB-CZ 3.7Å; R159-F188 HydrophobicContact CG-CE1 4.37Å; R159-F188 HydrophobicContact CG-CZ 4.42Å
160E93.9Very high92.3Very high126 Ų12641.3 Ų41.359%0.58919%0.19SC*.Hα-helixtrans-69.4-31.3176.3-64.3-173.5-156.300112.8I130 K156 R157 I158I130-E160 HydrophobicContact CD1-CB 4.17Å; I130-E160 WeakPolarHBondContact CD1-OE2 3.32Å; K156-E160 PolarHBondContact O-N 2.8Å; R157-E160 PolarHBondContact O-N 2.86Å; R157-E160 VanDerWaalsContact O-N 3.07Å; I158-E160 VanDerWaalsContact C-N 3.33Å; I158-E160 PolarHBondContact O-N 3.26Å
161L95.4Very high92.1Very high2 Ų240.5 Ų40.51%0.0119%0.185CC..Hα-helixtrans-83.2-41.2-178-73.8169.8000113.8L67 W120 I130 V133 R134 I142 I145 R157 I158 R159L67-L161 HydrophobicContact CD2-CD1 4.06Å; W120-L161 HydrophobicContact CH2-CD1 3.74Å; I130-L161 HydrophobicContact CG2-CD2 3.98Å; I130-L161 HydrophobicContact CG2-CG 4.5Å; V133-L161 HydrophobicContact CB-CD1 4.14Å; V133-L161 HydrophobicContact CB-CD2 4.08Å; V133-L161 HydrophobicContact CG1-CD1 3.99Å; V133-L161 HydrophobicContact CG1-CD2 3.83Å; V133-L161 HydrophobicContact CG2-CD1 4.33Å; R134-L161 HydrophobicContact CB-CD2 3.88Å; I142-L161 HydrophobicContact CD1-CB 4.12Å; I142-L161 HydrophobicContact CD1-CD2 4.28Å; I145-L161 HydrophobicContact CD1-CB 4.17Å; R157-L161 WeakPolarHBondContact O-CG 3.5Å; R157-L161 PolarHBondContact O-N 3.26Å; I158-L161 PolarHBondContact O-N 3.04Å; R159-L161 VanDerWaalsContact C-N 3.32Å
162L95.4Very high91.6Very high8 Ų840.9 Ų40.94%0.04219%0.189CC..SBendtrans-71.6139.6-175.1-176.773.1000110.9I142 I145 I158 R159 T167 L168 F188I142-L162 WeakPolarHBondContact O-CD1 3.25Å; I145-L162 HydrophobicContact CB-CD1 4.31Å; I145-L162 HydrophobicContact CD1-CB 3.68Å; I145-L162 HydrophobicContact CD1-CD1 4.1Å; I145-L162 HydrophobicContact CD1-CG 4.45Å; I145-L162 HydrophobicContact CG1-CB 4.28Å; I145-L162 HydrophobicContact CG1-CD1 3.71Å; I158-L162 VanDerWaalsContact O-CB 3.23Å; I158-L162 WeakPolarHBondContact O-CB 3.38Å; I158-L162 PolarHBondContact O-N 3.47Å; R159-L162 VanDerWaalsContact NH2-C 3.33Å; R159-L162 VanDerWaalsContact NH2-CB 3.28Å; R159-L162 PolarHBondContact NH2-O 2.91Å; L162-T167 WeakPolarHBondContact CD1-O 3.33Å; L162-L168 HydrophobicContact CD2-CB 3.97Å; L162-F188 HydrophobicContact CD2-CD1 4.01Å; L162-F188 HydrophobicContact CD2-CE1 4.36Å
163E93Very high90.8Very high56 Ų5640.6 Ų40.626%0.26219%0.187SC..  trans-57.2151.1170.6-73.7-63.7124.100111.6R134 V141 I142 R159 N165 G166R134-E163 IonicContact NH1-OE1 3.72Å; V141-E163 HydrophobicContact CB-CG 3.74Å; V141-E163 HydrophobicContact CG1-CG 4.28Å; V141-E163 WeakPolarHBondContact CG1-OE1 3.3Å; I142-E163 PolarHBondContact O-N 2.71Å; R159-E163 PolarHBondContact NH2-O 2.8Å; E163-N165 VanDerWaalsContact C-N 3.26Å; E163-N165 PolarHBondContact O-N 2.86Å; E163-G166 WeakPolarHBondContact O-CA 3.16Å; E163-G166 PolarHBondContact O-N 2.91Å
164K90.1Very high90.2Very high145 Ų14536.5 Ų36.563%0.6318%0.177SC*.THydrogen-bonded Turntrans-58.8-38.2-176.8-71.7-174178.6-178.60112.8N191 G193K164-N191 HydrophobicContact CB-CB 3.91Å; K164-G193 WeakPolarHBondContact O-CA 3.32Å; K164-G193 PolarHBondContact O-N 3.48Å
165N89.7Confident89.3Confident97 Ų9739.7 Ų39.752%0.51920%0.199SC..THydrogen-bonded Turntrans-97.416174.765.8-19000112.8E163E163-N165 VanDerWaalsContact C-N 3.26Å; E163-N165 PolarHBondContact O-N 2.86Å
166G92.5Very high88.6Confident1 Ų143.9 Ų43.91%0.0122%0.222CC..  trans-74.3169-179.600000112.8P143 E163 G193 T194P143-G166 CarbonylContact O-C 3.08Å; P143-G166 VanDerWaalsContact O-CA 3.23Å; P143-G166 WeakPolarHBondContact O-CA 3.47Å; E163-G166 WeakPolarHBondContact O-CA 3.16Å; E163-G166 PolarHBondContact O-N 2.91Å; G166-G193 WeakPolarHBondContact O-CA 3.43Å; G166-T194 PolarHBondContact O-N 3.06Å
167T93.5Very high88Confident18 Ų1840.1 Ų40.111%0.1120%0.204CC..EExtended strand (participates in β ladder)trans-106.2125.2176.7-580000110P143 L144 I145 L162 V169 T194 I196P143-T167 PolarHBondContact O-N 3.04Å; L144-T167 WeakPolarHBondContact CA-O 3.42Å; L144-T167 HydrophobicContact CD1-CG2 3.99Å; I145-T167 PolarHBondContact N-O 2.85Å; L162-T167 WeakPolarHBondContact CD1-O 3.33Å; T167-V169 HydrophobicContact CG2-CG2 4.08Å; T167-T194 CarbonylContact C-O 2.9Å; T167-T194 VanDerWaalsContact CA-O 3.3Å; T167-T194 WeakPolarHBondContact CA-O 3.19Å; T167-T194 HydrophobicContact CG2-CG2 4.25Å; T167-I196 HydrophobicContact CG2-CD1 3.79Å; T167-I196 HydrophobicContact CG2-CG1 4.11Å
168L95Very high87.1Confident0 Ų042.4 Ų42.40%021%0.213CC..EExtended strand (participates in β ladder)trans-101.9129164.5176.757.9000108.9I145 E147 M155 I158 L162 V170 F188 T194 L195 I196I145-L168 HydrophobicContact CB-CD1 3.98Å; I145-L168 HydrophobicContact CG2-CD1 3.97Å; I145-L168 CarbonylContact O-C 3.59Å; I145-L168 WeakPolarHBondContact O-CA 3.32Å; E147-L168 HydrophobicContact CB-CD1 4.34Å; M155-L168 HydrophobicContact CE-CD2 3.49Å; M155-L168 VanDerWaalsContact CE-CD2 3.49Å; M155-L168 HydrophobicContact SD-CD2 4.07Å; I158-L168 HydrophobicContact CD1-CD1 4.46Å; I158-L168 HydrophobicContact CG2-CD1 3.69Å; I158-L168 HydrophobicContact CG2-CD2 3.92Å; I158-L168 HydrophobicContact CG2-CG 4.38Å; L162-L168 HydrophobicContact CD2-CB 3.97Å; L168-V170 HydrophobicContact CD1-CG2 4.35Å; L168-V170 HydrophobicContact CD2-CG2 4.16Å; L168-V170 HydrophobicContact CG-CG2 3.99Å; L168-F188 HydrophobicContact CB-CD1 4.04Å; L168-F188 HydrophobicContact CD2-CD1 3.56Å; L168-F188 HydrophobicContact CD2-CD2 4.04Å; L168-F188 HydrophobicContact CD2-CE1 3.5Å; L168-F188 VanDerWaalsContact CD2-CE1 3.5Å; L168-F188 HydrophobicContact CD2-CE2 3.95Å; L168-F188 HydrophobicContact CD2-CG 3.85Å; L168-F188 HydrophobicContact CD2-CZ 3.66Å; L168-F188 HydrophobicContact CG-CD1 4.45Å; L168-T194 PolarHBondContact N-O 3.12Å; L168-L195 HydrophobicContact CB-CD1 3.99Å; L168-L195 HydrophobicContact CD2-CD1 3.86Å; L168-L195 HydrophobicContact CG-CD1 3.84Å; L168-L195 CarbonylContact O-C 3.57Å; L168-L195 WeakPolarHBondContact O-CA 3.48Å; L168-I196 PolarHBondContact O-N 3.04Å
169V93.4Very high86.4Confident0 Ų049.2 Ų49.20%025%0.248CC..EExtended strand (participates in β ladder)trans-111.4128.5170.3-170.50000109.5L10 L13 L144 I145 I146 E147 T167 P171 I196 L198L10-V169 HydrophobicContact CD2-CB 4.43Å; L10-V169 HydrophobicContact CD2-CG1 3.7Å; L13-V169 HydrophobicContact CD2-CG2 3.46Å; L13-V169 VanDerWaalsContact CD2-CG2 3.46Å; L144-V169 HydrophobicContact CD1-CG2 3.97Å; I145-V169 PolarHBondContact O-N 2.91Å; I146-V169 WeakPolarHBondContact CA-O 3.41Å; I146-V169 HydrophobicContact CG1-CB 4.24Å; I146-V169 HydrophobicContact CG1-CG2 4.45Å; E147-V169 PolarHBondContact N-O 3.28Å; T167-V169 HydrophobicContact CG2-CG2 4.08Å; V169-P171 HydrophobicContact CG1-CG 4.44Å; V169-I196 CarbonylContact C-O 3.13Å; V169-I196 WeakPolarHBondContact CA-O 3.38Å; V169-I196 HydrophobicContact CG1-CB 4.28Å; V169-I196 HydrophobicContact CG1-CG2 4.38Å; V169-I196 HydrophobicContact CG2-CB 4.19Å; V169-I196 HydrophobicContact CG2-CD1 4.26Å; V169-L198 HydrophobicContact CG1-CD1 4.07Å; V169-L198 HydrophobicContact CG1-CD2 4.37Å; V169-L198 HydrophobicContact CG1-CG 4.03Å
170V91.4Very high86Confident1 Ų155.7 Ų55.71%0.00627%0.272CS..EExtended strand (participates in β ladder)trans-121.598.2174.3-175.50000107.7P150 M155 L168 S172 E173 L195 I196 K197 L198P150-V170 HydrophobicContact CB-CG1 4.24Å; P150-V170 HydrophobicContact CG-CG1 3.72Å; M155-V170 HydrophobicContact CE-CG2 4.25Å; M155-V170 HydrophobicContact SD-CG2 4.37Å; L168-V170 HydrophobicContact CD1-CG2 4.35Å; L168-V170 HydrophobicContact CD2-CG2 4.16Å; L168-V170 HydrophobicContact CG-CG2 3.99Å; V170-S172 VanDerWaalsContact C-N 3.32Å; V170-S172 PolarHBondContact O-N 3.12Å; V170-E173 HydrophobicContact CG1-CB 3.97Å; V170-E173 HydrophobicContact CG1-CG 4.47Å; V170-L195 HydrophobicContact CG2-CD1 4.2Å; V170-I196 PolarHBondContact N-O 3.13Å; V170-K197 WeakPolarHBondContact O-CA 3.34Å; V170-L198 PolarHBondContact O-N 2.86Å; V170-L198 VanDerWaalsContact O-N 3.14Å
171P86.3Confident85.7Confident3 Ų353.9 Ų53.92%0.01926%0.261CS..SBendtrans-60.3-42.1-179.3-29.440.3000112.7Y2 L10 I146 E147 F148 V169 L198 A199Y2-P171 HydrophobicContact CD1-CB 4.24Å; Y2-P171 HydrophobicContact CE1-CB 3.55Å; L10-P171 HydrophobicContact CD1-CG 4.15Å; L10-P171 HydrophobicContact CD2-CG 4.49Å; I146-P171 HydrophobicContact CG2-CG 4.2Å; E147-P171 WeakPolarHBondContact O-CD 3.46Å; F148-P171 HydrophobicContact CD1-CB 4.07Å; F148-P171 HydrophobicContact CD1-CG 3.64Å; F148-P171 HydrophobicContact CE1-CB 4.29Å; F148-P171 HydrophobicContact CE1-CG 3.71Å; V169-P171 HydrophobicContact CG1-CG 4.44Å; P171-L198 HydrophobicContact CB-CD1 4.13Å; P171-L198 HydrophobicContact CG-CD1 4.13Å; P171-A199 WeakPolarHBondContact O-CB 3.4Å; P171-A199 PolarHBondContact O-N 3.43Å
172S77.7Confident85.4Confident47 Ų4756.8 Ų56.833%0.32928%0.279SS..SBendtrans-123.583.4-175.244.60000110.8F148 V170F148-S172 PolarHBondContact O-OG 2.86Å; V170-S172 VanDerWaalsContact C-N 3.32Å; V170-S172 PolarHBondContact O-N 3.12Å
173E72.4Confident85.2Confident23 Ų2362.9 Ų62.911%0.10731%0.311CS..  trans-82.7148.8176.4-165.8-163.6172.900111.6V170 P175 R178 M185 K197V170-E173 HydrophobicContact CG1-CB 3.97Å; V170-E173 HydrophobicContact CG1-CG 4.47Å; E173-P175 WeakPolarHBondContact O-CD 3.38Å; E173-R178 WeakPolarHBondContact OE1-CG 3.24Å; E173-R178 IonicContact OE1-NE 3.46Å; E173-R178 PolarHBondContact OE1-NE 2.99Å; E173-R178 IonicContact OE2-CZ 2.68Å; E173-R178 IonicContact OE2-NE 3.05Å; E173-R178 PolarHBondContact OE2-NE 3.24Å; E173-R178 IonicContact OE2-NH2 3.26Å; E173-R178 PolarHBondContact OE2-NH2 3.26Å; E173-M185 WeakPolarHBondContact OE1-CE 3.43Å; E173-K197 IonicContact OE1-NZ 3.08Å; E173-K197 PolarHBondContact OE1-NZ 3.2Å; E173-K197 WeakPolarHBondContact OE2-CD 3.36Å; E173-K197 WeakPolarHBondContact OE2-CE 3.37Å; E173-K197 VanDerWaalsContact OE2-CG 3.31Å; E173-K197 WeakPolarHBondContact OE2-CG 3.38Å; E173-K197 IonicContact OE2-NZ 2.64Å; E173-K197 PolarHBondContact OE2-NZ 3.27Å
174N75.5Confident85.2Confident70 Ų7061.5 Ų61.537%0.37431%0.305SS..  trans-85.5115.1161.2-176.8-27.6000110.5D176 W177N174-D176 PolarHBondContact O-N 3.28Å; N174-D176 VanDerWaalsContact O-N 3.13Å; N174-D176 WeakPolarHBondContact OD1-CB 3.36Å; N174-D176 PolarHBondContact OD1-N 2.88Å; N174-W177 HydrophobicContact CB-CD2 4.01Å; N174-W177 HydrophobicContact CB-CG 4.01Å; N174-W177 WeakPolarHBondContact O-CB 3.49Å; N174-W177 PolarHBondContact O-N 3.32Å; N174-W177 VanDerWaalsContact O-N 3.12Å
175P74.6Confident85.1Confident79 Ų7955 Ų5551%0.51328%0.278SS..THydrogen-bonded Turntrans-56.5-31.2-177.1-26.835.3000114.8E173 W177 R178E173-P175 WeakPolarHBondContact O-CD 3.38Å; P175-W177 PolarHBondContact O-N 2.79Å; P175-W177 VanDerWaalsContact O-N 3.13Å; P175-R178 WeakPolarHBondContact O-CB 3.31Å; P175-R178 WeakPolarHBondContact O-CG 3.4Å; P175-R178 PolarHBondContact O-N 3.03Å
176D77.1Confident85.2Confident89 Ų8953.3 Ų53.348%0.47627%0.269SS..THydrogen-bonded Turntrans-61.9-24.6-178.2-74.6-14.8000112.6N174 R178 I179 R180N174-D176 PolarHBondContact O-N 3.28Å; N174-D176 VanDerWaalsContact O-N 3.13Å; N174-D176 WeakPolarHBondContact OD1-CB 3.36Å; N174-D176 PolarHBondContact OD1-N 2.88Å; D176-R178 PolarHBondContact O-N 3.24Å; D176-I179 PolarHBondContact O-N 3.24Å; D176-R180 WeakPolarHBondContact O-CG 3.38Å; D176-R180 PolarHBondContact O-N 3.46Å
177W78.7Confident85.2Confident30 Ų3054.5 Ų54.511%0.11428%0.277CS..Hα-helixtrans-67.6-24.7-176.9-68.78.7000113.6P150 T151 I152 M155 N174 P175 I179 R180 Y181P150-W177 HydrophobicContact CB-CH2 3.55Å; P150-W177 HydrophobicContact CB-CZ3 3.53Å; P150-W177 HydrophobicContact CG-CH2 3.88Å; P150-W177 HydrophobicContact CG-CZ3 3.91Å; P150-W177 WeakPolarHBondContact O-CH2 3.45Å; P150-W177 WeakPolarHBondContact O-CZ2 3.27Å; T151-W177 VanDerWaalsContact C-CH2 3.48Å; T151-W177 VanDerWaalsContact CA-CH2 3.45Å; I152-W177 HydrophobicContact CD1-CD2 3.67Å; I152-W177 HydrophobicContact CD1-CE3 3.87Å; I152-W177 HydrophobicContact CD1-CG 4.07Å; I152-W177 HydrophobicContact CD1-CH2 4.02Å; I152-W177 HydrophobicContact CD1-CZ2 3.97Å; I152-W177 HydrophobicContact CD1-CZ3 4.02Å; I152-W177 HydrophobicContact CG1-CZ2 4.33Å; M155-W177 HydrophobicContact CG-CH2 4.35Å; M155-W177 HydrophobicContact CG-CZ3 3.75Å; M155-W177 HydrophobicContact SD-CZ3 4.48Å; N174-W177 HydrophobicContact CB-CD2 4.01Å; N174-W177 HydrophobicContact CB-CG 4.01Å; N174-W177 WeakPolarHBondContact O-CB 3.49Å; N174-W177 PolarHBondContact O-N 3.32Å; N174-W177 VanDerWaalsContact O-N 3.12Å; P175-W177 PolarHBondContact O-N 2.79Å; P175-W177 VanDerWaalsContact O-N 3.13Å; W177-I179 VanDerWaalsContact C-N 3.27Å; W177-I179 PolarHBondContact O-N 3.42Å; W177-R180 PolarHBondContact O-N 3.43Å; W177-Y181 HydrophobicContact CB-CD2 4.09Å; W177-Y181 HydrophobicContact CG-CD2 4.23Å; W177-Y181 WeakPolarHBondContact O-CA 3.48Å; W177-Y181 WeakPolarHBondContact O-CB 3.4Å; W177-Y181 PolarHBondContact O-N 3.44Å
178R75Confident85.1Confident55 Ų5553.7 Ų53.721%0.20827%0.271CS..Hα-helixtrans-62.3-40.2180-64169.2-173-164.7-8.6112E173 P175 D176 T182 E200E173-R178 WeakPolarHBondContact OE1-CG 3.24Å; E173-R178 IonicContact OE1-NE 3.46Å; E173-R178 PolarHBondContact OE1-NE 2.99Å; E173-R178 IonicContact OE2-CZ 2.68Å; E173-R178 IonicContact OE2-NE 3.05Å; E173-R178 PolarHBondContact OE2-NE 3.24Å; E173-R178 IonicContact OE2-NH2 3.26Å; E173-R178 PolarHBondContact OE2-NH2 3.26Å; P175-R178 WeakPolarHBondContact O-CB 3.31Å; P175-R178 WeakPolarHBondContact O-CG 3.4Å; P175-R178 PolarHBondContact O-N 3.03Å; D176-R178 PolarHBondContact O-N 3.24Å; R178-T182 PolarHBondContact O-OG1 3.39Å; R178-E200 VanDerWaalsContact CZ-CD 3.46Å; R178-E200 IonicContact CZ-OE1 4Å; R178-E200 IonicContact CZ-OE2 3.83Å; R178-E200 VanDerWaalsContact CZ-OE2 3.27Å; R178-E200 IonicContact NH1-OE1 3.27Å; R178-E200 PolarHBondContact NH1-OE1 3.15Å; R178-E200 IonicContact NH1-OE2 2.83Å; R178-E200 PolarHBondContact NH1-OE2 3Å; R178-E200 VanDerWaalsContact NH1-OE2 3.08Å; R178-E200 IonicContact NH2-OE1 3.45Å; R178-E200 PolarHBondContact NH2-OE1 3.32Å; R178-E200 IonicContact NH2-OE2 3.95Å; R178-E200 PolarHBondContact NH2-OE2 3.35Å
179I80Confident84.8Confident143 Ų14354.3 Ų54.373%0.73328%0.276SS*.Hα-helixtrans-82.1-42.5-178.9-58.3173.6000109.1D176 W177 T182D176-I179 PolarHBondContact O-N 3.24Å; W177-I179 VanDerWaalsContact C-N 3.27Å; W177-I179 PolarHBondContact O-N 3.42Å; I179-T182 PolarHBondContact O-OG1 3.2Å
180R85.8Confident84.5Confident176 Ų17659.5 Ų59.566%0.66430%0.3SS*.Hα-helixtrans-75.1-30.8-174.7-67-176.5-172.4-135.26.4113.7D176 W177D176-R180 WeakPolarHBondContact O-CG 3.38Å; D176-R180 PolarHBondContact O-N 3.46Å; W177-R180 PolarHBondContact O-N 3.43Å
181Y88.1Confident84.2Confident88 Ų8864.3 Ų64.335%0.34533%0.326SS..THydrogen-bonded Turntrans-129.737.4-171.7-53.5-74.5000112.3I152 W177 N183 L184 M185I152-Y181 HydrophobicContact CD1-CD1 4.24Å; I152-Y181 HydrophobicContact CD1-CD2 3.19Å; I152-Y181 HydrophobicContact CD1-CE1 4.29Å; I152-Y181 HydrophobicContact CD1-CE2 3.26Å; I152-Y181 HydrophobicContact CD1-CG 3.72Å; I152-Y181 HydrophobicContact CG1-CD2 3.92Å; I152-Y181 HydrophobicContact CG1-CE1 4.1Å; I152-Y181 HydrophobicContact CG1-CE2 3.45Å; I152-Y181 VanDerWaalsContact CG1-CE2 3.45Å; I152-Y181 HydrophobicContact CG1-CG 4.42Å; I152-Y181 HydrophobicContact CG2-CD1 4.08Å; I152-Y181 HydrophobicContact CG2-CE1 3.85Å; W177-Y181 HydrophobicContact CB-CD2 4.09Å; W177-Y181 HydrophobicContact CG-CD2 4.23Å; W177-Y181 WeakPolarHBondContact O-CA 3.48Å; W177-Y181 WeakPolarHBondContact O-CB 3.4Å; W177-Y181 PolarHBondContact O-N 3.44Å; Y181-N183 VanDerWaalsContact C-N 3.27Å; Y181-N183 PolarHBondContact O-N 3.29Å; Y181-N183 VanDerWaalsContact O-N 3.15Å; Y181-L184 WeakPolarHBondContact O-CB 3.45Å; Y181-L184 PolarHBondContact O-N 3Å; Y181-M185 WeakPolarHBondContact O-CG 3.17Å; Y181-M185 PolarHBondContact O-N 2.97Å
182T87.9Confident84.2Confident63 Ų6369 Ų6939%0.38735%0.35SS..Hα-helixtrans-46.8-46.9-177.9-45.30000113.2R178 I179 L184 M185 N186R178-T182 PolarHBondContact O-OG1 3.39Å; I179-T182 PolarHBondContact O-OG1 3.2Å; T182-L184 VanDerWaalsContact C-N 3.35Å; T182-L184 PolarHBondContact O-N 2.61Å; T182-M185 PolarHBondContact O-N 3.4Å; T182-N186 WeakPolarHBondContact O-CB 3.44Å; T182-N186 VanDerWaalsContact O-CG 3.23Å; T182-N186 PolarHBondContact O-N 2.8Å
183N92Very high84.8Confident137 Ų13766.7 Ų66.773%0.73333%0.334SS*.Hα-helixtrans-62.5-41.1-179.2-66.1-13.4000112.3Y181 S187Y181-N183 VanDerWaalsContact C-N 3.27Å; Y181-N183 PolarHBondContact O-N 3.29Å; Y181-N183 VanDerWaalsContact O-N 3.15Å; N183-S187 PolarHBondContact O-N 3.12Å
184L92.6Very high85.6Confident26 Ų2667.5 Ų67.514%0.13634%0.341CS..Hα-helixtrans-66.2-44.3176.9179.160.1000110.3I152 M155 K156 R159 Y181 T182 N186 S187 F188I152-L184 HydrophobicContact CG2-CD2 4.41Å; M155-L184 HydrophobicContact CB-CD2 3.83Å; K156-L184 HydrophobicContact CG-CD1 4.21Å; K156-L184 HydrophobicContact CG-CD2 4.05Å; R159-L184 HydrophobicContact CB-CD1 4.41Å; Y181-L184 WeakPolarHBondContact O-CB 3.45Å; Y181-L184 PolarHBondContact O-N 3Å; T182-L184 VanDerWaalsContact C-N 3.35Å; T182-L184 PolarHBondContact O-N 2.61Å; L184-N186 PolarHBondContact O-N 3.42Å; L184-S187 WeakPolarHBondContact O-CB 3.47Å; L184-S187 PolarHBondContact O-N 3.39Å; L184-S187 PolarHBondContact O-OG 3.13Å; L184-F188 HydrophobicContact CD1-CE2 4.02Å; L184-F188 HydrophobicContact CD1-CZ 4.46Å; L184-F188 HydrophobicContact CG-CE2 4.13Å; L184-F188 WeakPolarHBondContact O-CD2 3.45Å; L184-F188 WeakPolarHBondContact O-CE2 3.48Å
185M88.7Confident86.2Confident10 Ų1064.3 Ų64.35%0.04932%0.324CS..Hα-helixtrans-63.3-42.3178.4-60-51.9-7700111.9M155 E173 Y181 T182 S187 F188 L195M155-M185 HydrophobicContact CE-CE 4.49Å; M155-M185 HydrophobicContact CE-SD 4.13Å; E173-M185 WeakPolarHBondContact OE1-CE 3.43Å; Y181-M185 WeakPolarHBondContact O-CG 3.17Å; Y181-M185 PolarHBondContact O-N 2.97Å; T182-M185 PolarHBondContact O-N 3.4Å; M185-S187 VanDerWaalsContact C-N 3.3Å; M185-S187 PolarHBondContact O-N 3.4Å; M185-F188 PolarHBondContact O-N 3.24Å; M185-L195 HydrophobicContact CE-CD2 3.57Å
186N90.2Very high86.8Confident61 Ų6160.9 Ų60.933%0.32630%0.301SS..Hα-helixtrans-64-35.4177-72.5-9.3000112.2T182 L184 F188 T189 E190T182-N186 WeakPolarHBondContact O-CB 3.44Å; T182-N186 VanDerWaalsContact O-CG 3.23Å; T182-N186 PolarHBondContact O-N 2.8Å; L184-N186 PolarHBondContact O-N 3.42Å; N186-F188 PolarHBondContact O-N 3.3Å; N186-T189 WeakPolarHBondContact O-CA 3.44Å; N186-T189 PolarHBondContact O-N 3.07Å; N186-T189 PolarHBondContact O-OG1 3.27Å; N186-E190 PolarHBondContact O-N 3.3Å
187S93Very high87.1Confident26 Ų2657 Ų5718%0.18228%0.28CS..Hα-helixtrans-60.7-17.9176.781.20000114R159 N183 L184 M185 T189R159-S187 WeakPolarHBondContact CD-O 3.36Å; R159-S187 WeakPolarHBondContact CD-OG 3.44Å; R159-S187 WeakPolarHBondContact CG-OG 3.43Å; R159-S187 PolarHBondContact NH1-O 2.97Å; N183-S187 PolarHBondContact O-N 3.12Å; L184-S187 WeakPolarHBondContact O-CB 3.47Å; L184-S187 PolarHBondContact O-N 3.39Å; L184-S187 PolarHBondContact O-OG 3.13Å; M185-S187 VanDerWaalsContact C-N 3.3Å; M185-S187 PolarHBondContact O-N 3.4Å; S187-T189 VanDerWaalsContact C-N 3.33Å
188F91.8Very high87Confident0 Ų055.6 Ų55.60%028%0.275CS..THydrogen-bonded Turntrans-79.7-14.8171.4-67.4-71.5000114.8M155 I158 R159 L162 L168 L184 M185 N186 G193 T194 L195M155-F188 HydrophobicContact CE-CD2 4.27Å; M155-F188 HydrophobicContact CE-CE2 3.67Å; M155-F188 HydrophobicContact CE-CZ 4.14Å; M155-F188 WeakPolarHBondContact O-CZ 3.44Å; I158-F188 HydrophobicContact CG2-CE1 3.79Å; I158-F188 HydrophobicContact CG2-CZ 4.09Å; R159-F188 HydrophobicContact CB-CE1 3.83Å; R159-F188 HydrophobicContact CB-CZ 3.7Å; R159-F188 HydrophobicContact CG-CE1 4.37Å; R159-F188 HydrophobicContact CG-CZ 4.42Å; L162-F188 HydrophobicContact CD2-CD1 4.01Å; L162-F188 HydrophobicContact CD2-CE1 4.36Å; L168-F188 HydrophobicContact CB-CD1 4.04Å; L168-F188 HydrophobicContact CD2-CD1 3.56Å; L168-F188 HydrophobicContact CD2-CD2 4.04Å; L168-F188 HydrophobicContact CD2-CE1 3.5Å; L168-F188 VanDerWaalsContact CD2-CE1 3.5Å; L168-F188 HydrophobicContact CD2-CE2 3.95Å; L168-F188 HydrophobicContact CD2-CG 3.85Å; L168-F188 HydrophobicContact CD2-CZ 3.66Å; L168-F188 HydrophobicContact CG-CD1 4.45Å; L184-F188 HydrophobicContact CD1-CE2 4.02Å; L184-F188 HydrophobicContact CD1-CZ 4.46Å; L184-F188 HydrophobicContact CG-CE2 4.13Å; L184-F188 WeakPolarHBondContact O-CD2 3.45Å; L184-F188 WeakPolarHBondContact O-CE2 3.48Å; M185-F188 PolarHBondContact O-N 3.24Å; N186-F188 PolarHBondContact O-N 3.3Å; F188-G193 CarbonylContact O-C 3.52Å; F188-G193 VanDerWaalsContact O-CA 3.25Å; F188-G193 WeakPolarHBondContact O-CA 3.06Å; F188-T194 PolarHBondContact O-N 2.8Å; F188-L195 HydrophobicContact CB-CB 4.1Å; F188-L195 HydrophobicContact CB-CD2 4.34Å
189T88.7Confident86.6Confident14 Ų1456.3 Ų56.39%0.08629%0.292CS..THydrogen-bonded Turntrans-113.9-13-178.659.30000113.5N186 S187 G193 L195 S222 I224N186-T189 WeakPolarHBondContact O-CA 3.44Å; N186-T189 PolarHBondContact O-N 3.07Å; N186-T189 PolarHBondContact O-OG1 3.27Å; S187-T189 VanDerWaalsContact C-N 3.33Å; T189-G193 WeakPolarHBondContact CA-O 3.36Å; T189-L195 HydrophobicContact CG2-CB 3.96Å; T189-S222 WeakPolarHBondContact O-CB 3.38Å; T189-I224 HydrophobicContact CG2-CG1 3.76Å
190E86.2Confident85.3Confident109 Ų10951.8 Ų51.851%0.50927%0.268SS..G310 helixtrans-58.8153.1168.6-73.4174.1-166.800111.1N186 N192 G193N186-E190 PolarHBondContact O-N 3.3Å; E190-N192 PolarHBondContact O-N 3.2Å; E190-G193 PolarHBondContact O-N 3.11Å
191N86.7Confident83.7Confident102 Ų10244.2 Ų44.255%0.54524%0.241SC..G310 helixtrans56.432177.7-53-64.7000115K164 G193K164-N191 HydrophobicContact CB-CB 3.91Å; N191-G193 VanDerWaalsContact C-N 3.25Å; N191-G193 PolarHBondContact O-N 3.19Å
192N86.2Confident81.8Confident100 Ų10045.9 Ų45.954%0.53526%0.26SS..G310 helixtrans65.723.1-175.9-50-47.9000114.2E190E190-N192 PolarHBondContact O-N 3.2Å
193G88.9Confident80.1Confident0 Ų045 Ų450%025%0.251CS..  trans-62.4156.6165.500000111.5K164 G166 F188 T189 E190 N191K164-G193 WeakPolarHBondContact O-CA 3.32Å; K164-G193 PolarHBondContact O-N 3.48Å; G166-G193 WeakPolarHBondContact O-CA 3.43Å; F188-G193 CarbonylContact O-C 3.52Å; F188-G193 VanDerWaalsContact O-CA 3.25Å; F188-G193 WeakPolarHBondContact O-CA 3.06Å; T189-G193 WeakPolarHBondContact CA-O 3.36Å; E190-G193 PolarHBondContact O-N 3.11Å; N191-G193 VanDerWaalsContact C-N 3.25Å; N191-G193 PolarHBondContact O-N 3.19Å
194T89.5Confident78Confident40 Ų4042.9 Ų42.925%0.24524%0.239CC..EExtended strand (participates in β ladder)trans-122.9131.7178.6-58.30000109.7G166 T167 L168 F188 I196G166-T194 PolarHBondContact O-N 3.06Å; T167-T194 CarbonylContact C-O 2.9Å; T167-T194 VanDerWaalsContact CA-O 3.3Å; T167-T194 WeakPolarHBondContact CA-O 3.19Å; T167-T194 HydrophobicContact CG2-CG2 4.25Å; L168-T194 PolarHBondContact N-O 3.12Å; F188-T194 PolarHBondContact O-N 2.8Å; T194-I196 HydrophobicContact CG2-CD1 4.34Å; T194-I196 HydrophobicContact CG2-CG1 3.85Å
195L89.3Confident75.9Confident2 Ų244.8 Ų44.81%0.0126%0.259CS..EExtended strand (participates in β ladder)trans-117.5113.9172.7176.559.7000109.1L168 V170 M185 F188 T189 K197L168-L195 HydrophobicContact CB-CD1 3.99Å; L168-L195 HydrophobicContact CD2-CD1 3.86Å; L168-L195 HydrophobicContact CG-CD1 3.84Å; L168-L195 CarbonylContact O-C 3.57Å; L168-L195 WeakPolarHBondContact O-CA 3.48Å; V170-L195 HydrophobicContact CG2-CD1 4.2Å; M185-L195 HydrophobicContact CE-CD2 3.57Å; F188-L195 HydrophobicContact CB-CB 4.1Å; F188-L195 HydrophobicContact CB-CD2 4.34Å; T189-L195 HydrophobicContact CG2-CB 3.96Å; L195-K197 HydrophobicContact CD2-CD 4.48Å; L195-K197 HydrophobicContact CG-CD 4.44Å; L195-K197 HydrophobicContact CG-CG 4.3Å
196I87.3Confident74.3Confident8 Ų846.3 Ų46.34%0.04128%0.277CS..EExtended strand (participates in β ladder)trans-106.4124.9179.2-53.4179.8000108.6F9 T167 L168 V169 V170 T194 L198 F207 I211F9-I196 HydrophobicContact CZ-CD1 4.44Å; T167-I196 HydrophobicContact CG2-CD1 3.79Å; T167-I196 HydrophobicContact CG2-CG1 4.11Å; L168-I196 PolarHBondContact O-N 3.04Å; V169-I196 CarbonylContact C-O 3.13Å; V169-I196 WeakPolarHBondContact CA-O 3.38Å; V169-I196 HydrophobicContact CG1-CB 4.28Å; V169-I196 HydrophobicContact CG1-CG2 4.38Å; V169-I196 HydrophobicContact CG2-CB 4.19Å; V169-I196 HydrophobicContact CG2-CD1 4.26Å; V170-I196 PolarHBondContact N-O 3.13Å; T194-I196 HydrophobicContact CG2-CD1 4.34Å; T194-I196 HydrophobicContact CG2-CG1 3.85Å; I196-L198 HydrophobicContact CG2-CD2 3.58Å; I196-F207 HydrophobicContact CG2-CZ 4.38Å; I196-I211 HydrophobicContact CD1-CD1 4.05Å
197K82.1Confident72.8Confident7 Ų744.1 Ų44.13%0.0327%0.265CS..EExtended strand (participates in β ladder)trans-117.4109.2179.6-64.1153.2170.3-1340108.3V170 E173 L195 N201V170-K197 WeakPolarHBondContact O-CA 3.34Å; E173-K197 IonicContact OE1-NZ 3.08Å; E173-K197 PolarHBondContact OE1-NZ 3.2Å; E173-K197 WeakPolarHBondContact OE2-CD 3.36Å; E173-K197 WeakPolarHBondContact OE2-CE 3.37Å; E173-K197 VanDerWaalsContact OE2-CG 3.31Å; E173-K197 WeakPolarHBondContact OE2-CG 3.38Å; E173-K197 IonicContact OE2-NZ 2.64Å; E173-K197 PolarHBondContact OE2-NZ 3.27Å; L195-K197 HydrophobicContact CD2-CD 4.48Å; L195-K197 HydrophobicContact CG-CD 4.44Å; L195-K197 HydrophobicContact CG-CG 4.3Å; K197-N201 PolarHBondContact O-ND2 3.14Å
198L76.7Confident71Confident1 Ų145.3 Ų45.31%0.00527%0.271CS..G310 helixtrans-80.8-34.5-168-57.2-179.2000114F9 L10 V169 V170 P171 I196 E200 N201 F203F9-L198 HydrophobicContact CD1-CD1 4.19Å; F9-L198 HydrophobicContact CD1-CD2 3.99Å; F9-L198 HydrophobicContact CE1-CD1 4.48Å; F9-L198 HydrophobicContact CE1-CD2 3.7Å; F9-L198 HydrophobicContact CZ-CD2 4.49Å; L10-L198 HydrophobicContact CD1-CD1 4.35Å; L10-L198 HydrophobicContact CD2-CD1 3.78Å; L10-L198 HydrophobicContact CG-CD1 4.05Å; V169-L198 HydrophobicContact CG1-CD1 4.07Å; V169-L198 HydrophobicContact CG1-CD2 4.37Å; V169-L198 HydrophobicContact CG1-CG 4.03Å; V170-L198 PolarHBondContact O-N 2.86Å; V170-L198 VanDerWaalsContact O-N 3.14Å; P171-L198 HydrophobicContact CB-CD1 4.13Å; P171-L198 HydrophobicContact CG-CD1 4.13Å; I196-L198 HydrophobicContact CG2-CD2 3.58Å; L198-E200 PolarHBondContact O-N 2.83Å; L198-N201 PolarHBondContact O-N 2.87Å; L198-F203 HydrophobicContact CB-CE2 4.39Å; L198-F203 HydrophobicContact CB-CZ 3.94Å; L198-F203 HydrophobicContact CD1-CZ 4.08Å; L198-F203 HydrophobicContact CD2-CE1 4.14Å; L198-F203 HydrophobicContact CD2-CZ 3.75Å; L198-F203 HydrophobicContact CG-CZ 4.12Å
199A66.3Low69.3Low70 Ų7054.3 Ų54.358%0.57931%0.305SS*.G310 helixtrans-55.7-10.5178.100000114.7P171P171-A199 WeakPolarHBondContact O-CB 3.4Å; P171-A199 PolarHBondContact O-N 3.43Å
200E53.7Low67.9Low47 Ų4757.6 Ų57.622%0.2232%0.319CS..G310 helixtrans-110.8-3177.5-61.7-161.7148.600115.1R178 L198R178-E200 VanDerWaalsContact CZ-CD 3.46Å; R178-E200 IonicContact CZ-OE1 4Å; R178-E200 IonicContact CZ-OE2 3.83Å; R178-E200 VanDerWaalsContact CZ-OE2 3.27Å; R178-E200 IonicContact NH1-OE1 3.27Å; R178-E200 PolarHBondContact NH1-OE1 3.15Å; R178-E200 IonicContact NH1-OE2 2.83Å; R178-E200 PolarHBondContact NH1-OE2 3Å; R178-E200 VanDerWaalsContact NH1-OE2 3.08Å; R178-E200 IonicContact NH2-OE1 3.45Å; R178-E200 PolarHBondContact NH2-OE1 3.32Å; R178-E200 IonicContact NH2-OE2 3.95Å; R178-E200 PolarHBondContact NH2-OE2 3.35Å; L198-E200 PolarHBondContact O-N 2.83Å
201N51.3Low66.7Low17 Ų1752.6 Ų52.69%0.09130%0.296CS..  trans-101.6118.7-178.7-61.5-38.6000109.3K197 L198 F203 F207K197-N201 PolarHBondContact O-ND2 3.14Å; L198-N201 PolarHBondContact O-N 2.87Å; N201-F203 WeakPolarHBondContact O-CD2 3.41Å; N201-F203 PolarHBondContact O-N 3.02Å; N201-F207 HydrophobicContact CB-CD1 4.45Å; N201-F207 HydrophobicContact CB-CD2 4.21Å; N201-F207 HydrophobicContact CB-CE1 4.17Å; N201-F207 HydrophobicContact CB-CE2 3.92Å; N201-F207 HydrophobicContact CB-CG 4.48Å; N201-F207 HydrophobicContact CB-CZ 3.91Å; N201-F207 WeakPolarHBondContact ND2-CE2 3.44Å; N201-F207 WeakPolarHBondContact ND2-CZ 3.42Å
202V49.3Very low65.2Low124 Ų12452.3 Ų52.375%0.75229%0.294SS*.  trans-67.5112.7159.2-178.80000105.9D204V202-D204 PolarHBondContact O-N 3.37Å
203F51.1Low63.9Low43 Ų4352.4 Ų52.419%0.18929%0.291CS..  trans-69.686.2175.1-68.5-90.8000109.5T5 E6 F9 L198 N201 F207T5-F203 HydrophobicContact CG2-CB 3.62Å; T5-F203 HydrophobicContact CG2-CD1 4.3Å; T5-F203 HydrophobicContact CG2-CG 4.01Å; E6-F203 HydrophobicContact CB-CE2 4.41Å; E6-F203 HydrophobicContact CB-CZ 4.28Å; E6-F203 HydrophobicContact CG-CD2 4.04Å; E6-F203 HydrophobicContact CG-CE1 4.5Å; E6-F203 HydrophobicContact CG-CE2 3.23Å; E6-F203 HydrophobicContact CG-CZ 3.5Å; E6-F203 VanDerWaalsContact CG-CZ 3.5Å; F9-F203 HydrophobicContact CB-CD1 4.43Å; F9-F203 HydrophobicContact CB-CE1 3.89Å; F9-F203 HydrophobicContact CD1-CE1 4.1Å; F9-F203 HydrophobicContact CD2-CE1 4.33Å; F9-F203 AromaticContact CG-CE1 3.84Å; F9-F203 HydrophobicContact CG-CE1 3.84Å; L198-F203 HydrophobicContact CB-CE2 4.39Å; L198-F203 HydrophobicContact CB-CZ 3.94Å; L198-F203 HydrophobicContact CD1-CZ 4.08Å; L198-F203 HydrophobicContact CD2-CE1 4.14Å; L198-F203 HydrophobicContact CD2-CZ 3.75Å; L198-F203 HydrophobicContact CG-CZ 4.12Å; N201-F203 WeakPolarHBondContact O-CD2 3.41Å; N201-F203 PolarHBondContact O-N 3.02Å; F203-F207 HydrophobicContact CD1-CD1 4.15Å; F203-F207 HydrophobicContact CD1-CE1 4.42Å; F203-F207 HydrophobicContact CE1-CD1 4.39Å; F203-F207 HydrophobicContact CE1-CE1 4.2Å
204D48.6Very low62.3Low93 Ų9354.8 Ų54.850%0.49730%0.304SS..  trans-100.3164.3162.773.625.4000110.7V202 G206 F207 T208V202-D204 PolarHBondContact O-N 3.37Å; D204-G206 PolarHBondContact O-N 2.9Å; D204-G206 WeakPolarHBondContact OD1-CA 3.43Å; D204-G206 PolarHBondContact OD1-N 3.49Å; D204-F207 PolarHBondContact O-N 3.09Å; D204-F207 PolarHBondContact OD1-N 2.95Å; D204-T208 PolarHBondContact O-N 3.32Å
205A48.3Very low60.8Low67 Ų6754.9 Ų54.955%0.55430%0.303SS*.Hα-helixtrans-59.8-20179.300000113R209A205-R209 WeakPolarHBondContact O-CB 3.37Å; A205-R209 VanDerWaalsContact O-CG 3.24Å; A205-R209 WeakPolarHBondContact O-CG 3.42Å; A205-R209 PolarHBondContact O-N 3.34Å; A205-R209 VanDerWaalsContact O-N 3.17Å
206G54.6Low59Low41 Ų4157.9 Ų57.942%0.42333%0.334SS..Hα-helixtrans-69.6-46.5173.900000111.3D204 R209 Q210D204-G206 PolarHBondContact O-N 2.9Å; D204-G206 WeakPolarHBondContact OD1-CA 3.43Å; D204-G206 PolarHBondContact OD1-N 3.49Å; G206-R209 PolarHBondContact O-N 2.89Å; G206-Q210 WeakPolarHBondContact O-CB 3.12Å; G206-Q210 PolarHBondContact O-N 3.02Å
207F59Low57Low15 Ų1565.5 Ų65.57%0.06636%0.363CS..Hα-helixtrans-59.3-48176.1-174.8-101.1000111.6F9 I196 N201 F203 D204 R209 Q210 I211F9-F207 HydrophobicContact CE2-CE1 4.07Å; F9-F207 HydrophobicContact CZ-CE1 4.17Å; I196-F207 HydrophobicContact CG2-CZ 4.38Å; N201-F207 HydrophobicContact CB-CD1 4.45Å; N201-F207 HydrophobicContact CB-CD2 4.21Å; N201-F207 HydrophobicContact CB-CE1 4.17Å; N201-F207 HydrophobicContact CB-CE2 3.92Å; N201-F207 HydrophobicContact CB-CG 4.48Å; N201-F207 HydrophobicContact CB-CZ 3.91Å; N201-F207 WeakPolarHBondContact ND2-CE2 3.44Å; N201-F207 WeakPolarHBondContact ND2-CZ 3.42Å; F203-F207 HydrophobicContact CD1-CD1 4.15Å; F203-F207 HydrophobicContact CD1-CE1 4.42Å; F203-F207 HydrophobicContact CE1-CD1 4.39Å; F203-F207 HydrophobicContact CE1-CE1 4.2Å; D204-F207 PolarHBondContact O-N 3.09Å; D204-F207 PolarHBondContact OD1-N 2.95Å; F207-R209 PolarHBondContact O-N 2.77Å; F207-Q210 WeakPolarHBondContact O-CB 3.4Å; F207-Q210 PolarHBondContact O-N 3.29Å; F207-Q210 VanDerWaalsContact O-N 3.16Å; F207-I211 HydrophobicContact CD1-CG1 4.27Å; F207-I211 HydrophobicContact CE1-CD1 4.42Å; F207-I211 HydrophobicContact CE1-CG1 3.83Å; F207-I211 HydrophobicContact CE2-CD1 4.29Å; F207-I211 HydrophobicContact CE2-CG1 4.3Å; F207-I211 HydrophobicContact CZ-CD1 3.93Å; F207-I211 HydrophobicContact CZ-CG1 3.83Å; F207-I211 WeakPolarHBondContact O-CG1 3.29Å; F207-I211 PolarHBondContact O-N 3Å
208T54.5Low55.2Low51 Ų5171 Ų7131%0.31338%0.383SS..Hα-helixtrans-59.3-46177.3-47.80000111.8D204 Q210 I211 D212D204-T208 PolarHBondContact O-N 3.32Å; T208-Q210 VanDerWaalsContact C-N 3.31Å; T208-Q210 PolarHBondContact O-N 3.45Å; T208-I211 PolarHBondContact O-N 3.38Å; T208-D212 PolarHBondContact O-N 3.21Å
209R56.1Low53.1Low189 Ų18979.1 Ų79.171%0.71342%0.421SS*.Hα-helixtrans-63.1-37.2176.7-76.2177.1-168.4176.15.7112.5A205 G206 F207 H213A205-R209 WeakPolarHBondContact O-CB 3.37Å; A205-R209 VanDerWaalsContact O-CG 3.24Å; A205-R209 WeakPolarHBondContact O-CG 3.42Å; A205-R209 PolarHBondContact O-N 3.34Å; A205-R209 VanDerWaalsContact O-N 3.17Å; G206-R209 PolarHBondContact O-N 2.89Å; F207-R209 PolarHBondContact O-N 2.77Å; R209-H213 WeakPolarHBondContact O-CB 3.26Å; R209-H213 PolarHBondContact O-N 3.23Å
210Q59.8Low51.6Low83 Ų8383.1 Ų83.139%0.38843%0.429SS..Hα-helixtrans-65.4-44.5178.2-172.4171.732.600110.6G206 F207 T208 H213 L214 Y225G206-Q210 WeakPolarHBondContact O-CB 3.12Å; G206-Q210 PolarHBondContact O-N 3.02Å; F207-Q210 WeakPolarHBondContact O-CB 3.4Å; F207-Q210 PolarHBondContact O-N 3.29Å; F207-Q210 VanDerWaalsContact O-N 3.16Å; T208-Q210 VanDerWaalsContact C-N 3.31Å; T208-Q210 PolarHBondContact O-N 3.45Å; Q210-H213 PolarHBondContact O-N 3.36Å; Q210-L214 HydrophobicContact CG-CD1 4.2Å; Q210-L214 WeakPolarHBondContact O-CD1 3.26Å; Q210-L214 WeakPolarHBondContact O-CG 3.26Å; Q210-L214 PolarHBondContact O-N 3.48Å; Q210-Y225 HydrophobicContact CG-CE1 4.38Å; Q210-Y225 VanDerWaalsContact NE2-CE1 3.28Å
211I61.6Low50.7Low5 Ų587.9 Ų87.93%0.02645%0.451CS..Hα-helixtrans-64.6-46.2174.7-61.9-62.8000111.2F9 I196 F207 T208 H213 L214 L215F9-I211 HydrophobicContact CE2-CB 3.91Å; F9-I211 HydrophobicContact CE2-CG1 3.81Å; F9-I211 HydrophobicContact CE2-CG2 3.68Å; F9-I211 HydrophobicContact CZ-CB 4.35Å; F9-I211 HydrophobicContact CZ-CG1 4Å; F9-I211 HydrophobicContact CZ-CG2 3.86Å; I196-I211 HydrophobicContact CD1-CD1 4.05Å; F207-I211 HydrophobicContact CD1-CG1 4.27Å; F207-I211 HydrophobicContact CE1-CD1 4.42Å; F207-I211 HydrophobicContact CE1-CG1 3.83Å; F207-I211 HydrophobicContact CE2-CD1 4.29Å; F207-I211 HydrophobicContact CE2-CG1 4.3Å; F207-I211 HydrophobicContact CZ-CD1 3.93Å; F207-I211 HydrophobicContact CZ-CG1 3.83Å; F207-I211 WeakPolarHBondContact O-CG1 3.29Å; F207-I211 PolarHBondContact O-N 3Å; T208-I211 PolarHBondContact O-N 3.38Å; I211-H213 PolarHBondContact O-N 3.11Å; I211-L214 HydrophobicContact CD1-CD1 4.13Å; I211-L214 WeakPolarHBondContact O-CB 3.44Å; I211-L214 PolarHBondContact O-N 2.55Å; I211-L215 HydrophobicContact CG2-CD1 3.66Å; I211-L215 HydrophobicContact CG2-CG 4.05Å; I211-L215 VanDerWaalsContact O-CG 3.3Å; I211-L215 WeakPolarHBondContact O-CG 3.31Å; I211-L215 PolarHBondContact O-N 3.15Å
212D55.8Low49.8Very low95 Ų9590.2 Ų90.251%0.50847%0.469SS..Hα-helixtrans-56.6-39.6175.6-78.5-20.4000111.7T208 G216T208-D212 PolarHBondContact O-N 3.21Å; D212-G216 PolarHBondContact O-N 3.48Å
213H58.4Low49.6Very low102 Ų10291.2 Ų91.247%0.47246%0.459SS..Hα-helixtrans-66.8-40.6175.9-163.872.4000112.6R209 Q210 I211 G216 R217R209-H213 WeakPolarHBondContact O-CB 3.26Å; R209-H213 PolarHBondContact O-N 3.23Å; Q210-H213 PolarHBondContact O-N 3.36Å; I211-H213 PolarHBondContact O-N 3.11Å; H213-G216 PolarHBondContact O-N 3.36Å; H213-R217 PolarHBondContact O-N 3.3Å
214L54.8Low49.2Very low51 Ų5191.7 Ų91.727%0.26746%0.463SS..Hα-helixtrans-66.4-41.9177.7-70.6162.2000111.8Q210 I211 G216 Y225Q210-L214 HydrophobicContact CG-CD1 4.2Å; Q210-L214 WeakPolarHBondContact O-CD1 3.26Å; Q210-L214 WeakPolarHBondContact O-CG 3.26Å; Q210-L214 PolarHBondContact O-N 3.48Å; I211-L214 HydrophobicContact CD1-CD1 4.13Å; I211-L214 WeakPolarHBondContact O-CB 3.44Å; I211-L214 PolarHBondContact O-N 2.55Å; L214-G216 VanDerWaalsContact C-N 3.34Å; L214-Y225 HydrophobicContact CD1-CD2 4.42Å; L214-Y225 HydrophobicContact CD1-CE2 3.45Å; L214-Y225 VanDerWaalsContact CD1-CE2 3.45Å; L214-Y225 VanDerWaalsContact CD1-OH 3.32Å; L214-Y225 WeakPolarHBondContact CD1-OH 3.36Å; L214-Y225 VanDerWaalsContact CD2-OH 3.32Å; L214-Y225 WeakPolarHBondContact CD2-OH 3.38Å
215L57.2Low48.9Very low41 Ų4189 Ų8922%0.21545%0.446CS..Hα-helixtrans-70.6-32.2177.2-63.3171.7000112L13 I211L13-L215 HydrophobicContact CD1-CD1 3.4Å; L13-L215 HydrophobicContact CD1-CD2 3.67Å; L13-L215 HydrophobicContact CD1-CG 4.14Å; I211-L215 HydrophobicContact CG2-CD1 3.66Å; I211-L215 HydrophobicContact CG2-CG 4.05Å; I211-L215 VanDerWaalsContact O-CG 3.3Å; I211-L215 WeakPolarHBondContact O-CG 3.31Å; I211-L215 PolarHBondContact O-N 3.15Å
216G52.2Low48.4Very low65 Ų6591.3 Ų91.367%0.6744%0.444SS*.Hα-helixtrans-78.6-23.4178.300000115D212 H213 L214D212-G216 PolarHBondContact O-N 3.48Å; H213-G216 PolarHBondContact O-N 3.36Å; L214-G216 VanDerWaalsContact C-N 3.34Å
217R45.7Very low47.4Very low169 Ų16991.4 Ų91.464%0.63844%0.444SS*.  trans-12092.7177.6-71.6-171.4176.5178.9-3.9110.4H213 H219H213-R217 PolarHBondContact O-N 3.3Å; R217-H219 PolarHBondContact O-N 2.68Å
218R43.6Very low46.1Very low122 Ų122100.6 Ų100.646%0.4648%0.48SS..  trans-69.642.4173.5-67-167.3-172.5166.85.2114.5S20 F24S20-R218 PolarHBondContact OG-NH2 3.25Å; F24-R218 VanDerWaalsContact CE2-CZ 3.44Å
219H33.7Very low45.1Very low172 Ų172107.7 Ų107.780%0.79651%0.51SS*.  trans-149.386.4168.9-75-55.3000108.7R217R217-H219 PolarHBondContact O-N 2.68Å
220M34.2Very low44Very low153 Ų153107.7 Ų107.775%0.75452%0.515SS*.  trans-166.8133.4148.5-89-135.5161.100112.3
221H34.1Very low42.7Very low147 Ų147109.4 Ų109.468%0.68153%0.534SS*.  trans-8.9132.6167.9-76.1-108.4000118.6R223H221-R223 PolarHBondContact O-N 3.06Å
222S34Very low41.2Very low66 Ų66117.3 Ų117.346%0.46257%0.574SS.*  trans-31.7105.9163.458.60000112.6T189T189-S222 WeakPolarHBondContact O-CB 3.38Å
223R43.2Very low40.2Very low146 Ų146116.7 Ų116.755%0.55158%0.582SS**  trans-125.8117.4173.6-85.6-178166.8175.3-4.1109.1H221 Y225H221-R223 PolarHBondContact O-N 3.06Å; R223-Y225 HydrophobicContact CB-CD2 4.26Å; R223-Y225 HydrophobicContact CB-CE1 4.46Å; R223-Y225 HydrophobicContact CB-CE2 3.7Å; R223-Y225 WeakPolarHBondContact CD-OH 3.44Å
224I43.6Very low39Very low53 Ų53116.1 Ų116.127%0.27259%0.59SS.*  trans-75.9116.1156.2-55.7167.9000105.2T189 F226T189-I224 HydrophobicContact CG2-CG1 3.76Å; I224-F226 HydrophobicContact CB-CD2 4.14Å; I224-F226 HydrophobicContact CB-CE2 3.71Å; I224-F226 HydrophobicContact CB-CZ 4.24Å; I224-F226 HydrophobicContact CD1-CE2 4.2Å; I224-F226 HydrophobicContact CD1-CZ 4.36Å; I224-F226 HydrophobicContact CG2-CD1 4.26Å; I224-F226 HydrophobicContact CG2-CD2 3.7Å; I224-F226 HydrophobicContact CG2-CE1 3.89Å; I224-F226 HydrophobicContact CG2-CE2 3.27Å; I224-F226 HydrophobicContact CG2-CG 4.19Å; I224-F226 HydrophobicContact CG2-CZ 3.39Å; I224-F226 PolarHBondContact O-N 2.76Å
225Y43.5Very low37.8Very low37 Ų37119.9 Ų119.915%0.14562%0.617CS.*  trans-82.1106.9171.6-71.3-82.5000108.1Q210 L214 R223Q210-Y225 HydrophobicContact CG-CE1 4.38Å; Q210-Y225 VanDerWaalsContact NE2-CE1 3.28Å; L214-Y225 HydrophobicContact CD1-CD2 4.42Å; L214-Y225 HydrophobicContact CD1-CE2 3.45Å; L214-Y225 VanDerWaalsContact CD1-CE2 3.45Å; L214-Y225 VanDerWaalsContact CD1-OH 3.32Å; L214-Y225 WeakPolarHBondContact CD1-OH 3.36Å; L214-Y225 VanDerWaalsContact CD2-OH 3.32Å; L214-Y225 WeakPolarHBondContact CD2-OH 3.38Å; R223-Y225 HydrophobicContact CB-CD2 4.26Å; R223-Y225 HydrophobicContact CB-CE1 4.46Å; R223-Y225 HydrophobicContact CB-CE2 3.7Å; R223-Y225 WeakPolarHBondContact CD-OH 3.44Å
226F36.8Very low37Very low115 Ų115126 Ų12650%0.50464%0.644SS.*  trans-100.4114.6165.7-65.5-74.9000107.7I224 Y228I224-F226 HydrophobicContact CB-CD2 4.14Å; I224-F226 HydrophobicContact CB-CE2 3.71Å; I224-F226 HydrophobicContact CB-CZ 4.24Å; I224-F226 HydrophobicContact CD1-CE2 4.2Å; I224-F226 HydrophobicContact CD1-CZ 4.36Å; I224-F226 HydrophobicContact CG2-CD1 4.26Å; I224-F226 HydrophobicContact CG2-CD2 3.7Å; I224-F226 HydrophobicContact CG2-CE1 3.89Å; I224-F226 HydrophobicContact CG2-CE2 3.27Å; I224-F226 HydrophobicContact CG2-CG 4.19Å; I224-F226 HydrophobicContact CG2-CZ 3.39Å; I224-F226 PolarHBondContact O-N 2.76Å; F226-Y228 PolarHBondContact O-N 3.27Å
227G33.4Very low36.2Very low42 Ų42132.4 Ų132.443%0.43365%0.654SS.*  trans-76.863174.500000112.6
228Y31.6Very low35.7Very low209 Ų209134 Ų13482%0.8267%0.666SS**  trans-150.182164-81.2-78.1000111F226F226-Y228 PolarHBondContact O-N 3.27Å
229E33.7Very low35.7Very low199 Ų199135.5 Ų135.593%0.9368%0.681SS**  trans-109.7120.8144.2-82-170.2166.600107.9
230K32.1Very low36.3Very low189 Ų189138.4 Ų138.482%0.82270%0.703SS**  trans-46.4150.8-174.9-69.9171.4173.5175.60113I232K230-I232 PolarHBondContact O-N 2.88Å
231P33.1Very low36.4Very low120 Ų120137.7 Ų137.778%0.77970%0.7SS**  trans-63.7116.416127.8-28.9000108A233P231-A233 PolarHBondContact O-N 3.14Å
232I30.5Very low36.5Very low171 Ų171137.2 Ų137.288%0.87770%0.701SS**  trans-65.689.3158.7-61.4171.5000105.6K230K230-I232 PolarHBondContact O-N 2.88Å
233A35.3Very low36.7Very low81 Ų81141.1 Ų141.167%0.66971%0.714SS**  trans-89.897.1164.800000108P231P231-A233 PolarHBondContact O-N 3.14Å
234S31.7Very low36.3Very low91 Ų91140.8 Ų140.864%0.63672%0.724SS**  trans59.9117.4147.5-43.80000119.3Q236S234-Q236 PolarHBondContact O-N 2.77Å
235P30.8Very low35.8Very low130 Ų130146.3 Ų146.384%0.84475%0.752SS**  trans-79.5106155.131.2-24.6000108.1
236Q40.6Very low35.3Very low169 Ų169153.6 Ų153.679%0.7979%0.793SS**  trans-137.5122.4167.4-84.1-173.6-7.600112.4S234S234-Q236 PolarHBondContact O-N 2.77Å
237K36.2Very low35.2Very low199 Ų199156.4 Ų156.487%0.86581%0.813SS**  trans84.390.5163-62.9-173.8178-176.50117.6
238F33.8Very low35.3Very low203 Ų203165.2 Ų165.289%0.8984%0.843SS**  -64.1139.7126.9-81.9-96000109.2
239I44.2Very low35.6Very low153 Ų153161.5 Ų161.579%0.78584%0.844SS**  trans155.1116.1135.6-74.7156.3000107.2
240D45.8Very low35.8Very low233 Ų233158.1 Ų158.1100%1.24684%0.837SS**  trans59.20174-56.8-17.1000120.5

Retrieved 240 of 240 residues in 46.4 ms (Link to these results)

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