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Response regulator SaeR

Member of the two-component regulatory system SaeR/SaeS involved in the regulation of staphylococcal virulence factors in a strain-dependent fashion. Probably functions as a transcriptional regulator via a specific DNA-binding domain, recognizing motifs near the promoter sequences of target genes (By similarity).

AlphaFold DB (Q2G2G2), UniProt , Accession Q99VR7, Species STAAM (Staphylococcus aureus (strain Mu50 / ATCC 700699)), Gene saeR, Length 228 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
1M84.5Confident94.9Very high181 Ų18144.4 Ų44.489%0.89222%0.22SC*.  0127.20-164.1158.488.900105.5G25 K27M1-G25 WeakPolarHBondContact CG-O 3.34Å; M1-K27 HydrophobicContact CE-CB 3.7Å; M1-K27 HydrophobicContact CE-CG 4.5Å
2T92.8Very high94.9Very high38 Ų3852.2 Ų52.223%0.23326%0.264CS..  trans-73.9129.8-173.7-62.20000110.2Y26 K27 D46 I47 L116T2-Y26 HydrophobicContact CG2-CD1 3.87Å; T2-Y26 HydrophobicContact CG2-CE1 3.62Å; T2-K27 PolarHBondContact O-N 3.44Å; T2-D46 VanDerWaalsContact CA-OD2 3.24Å; T2-D46 WeakPolarHBondContact CA-OD2 3.09Å; T2-D46 HydrophobicContact CG2-CB 3.62Å; T2-I47 HydrophobicContact CG2-CG2 4.39Å; T2-L116 HydrophobicContact CG2-CD1 3.76Å
3H97.4Very high94.7Very high17 Ų1750.5 Ų50.58%0.07926%0.256CS..EExtended strand (participates in β ladder)trans-95.4114.9178.4-167.1175.1000110.4K27 T29 D44 D46 I47H3-K27 CarbonylContact C-O 3.53Å; H3-K27 VanDerWaalsContact CA-O 3.31Å; H3-K27 WeakPolarHBondContact CA-O 3.29Å; H3-K27 HydrophobicContact CB-CB 4.39Å; H3-K27 HydrophobicContact CB-CD 4.26Å; H3-K27 PolarHBondContact CD2-O 3.46Å; H3-K27 VanDerWaalsContact CD2-O 3.31Å; H3-K27 PolarHBondContact CE1-NZ 3.45Å; H3-K27 VanDerWaalsContact CE1-NZ 3.28Å; H3-K27 PolarHBondContact ND1-NZ 3.31Å; H3-T29 PolarHBondContact NE2-OG1 3.43Å; H3-D44 VanDerWaalsContact CB-O 3.29Å; H3-D44 WeakPolarHBondContact CB-O 3.32Å; H3-D44 PolarHBondContact ND1-O 3.25Å; H3-D46 PolarHBondContact N-OD2 3.37Å; H3-D46 PolarHBondContact O-N 2.83Å; H3-I47 PolarHBondContact O-N 3.36Å
4L97.6Very high94.7Very high0 Ų046.9 Ų46.90%024%0.237CC..EExtended strand (participates in β ladder)trans-103.8131.6176.8169.364.3000110.4I6 F21 Y26 K27 V28 T29 I47 V49 I112L4-I6 HydrophobicContact CD1-CG1 4.27Å; L4-I6 HydrophobicContact CD2-CD1 3.83Å; L4-I6 HydrophobicContact CD2-CG1 3.76Å; L4-I6 HydrophobicContact CG-CD1 4.34Å; L4-I6 HydrophobicContact CG-CG1 3.75Å; L4-F21 HydrophobicContact CD2-CB 3.94Å; L4-F21 HydrophobicContact CD2-CD1 3.51Å; L4-F21 HydrophobicContact CD2-CD2 3.45Å; L4-F21 VanDerWaalsContact CD2-CD2 3.45Å; L4-F21 HydrophobicContact CD2-CE1 3.81Å; L4-F21 HydrophobicContact CD2-CE2 3.77Å; L4-F21 HydrophobicContact CD2-CG 3.34Å; L4-F21 HydrophobicContact CD2-CZ 3.95Å; L4-Y26 HydrophobicContact CB-CD1 4.13Å; L4-K27 PolarHBondContact N-O 2.99Å; L4-V28 WeakPolarHBondContact O-CA 3.5Å; L4-T29 PolarHBondContact O-N 3.13Å; L4-I47 WeakPolarHBondContact CA-O 3.46Å; L4-I47 HydrophobicContact CB-CG2 4.26Å; L4-I47 HydrophobicContact CD1-CG2 3.79Å; L4-V49 HydrophobicContact CD1-CB 4.45Å; L4-V49 HydrophobicContact CD1-CG2 3.83Å; L4-I112 HydrophobicContact CD1-CD1 4.01Å; L4-I112 HydrophobicContact CD2-CD1 4.33Å
5L98.3Very high94.8Very high0 Ų048.5 Ų48.50%025%0.247CC..EExtended strand (participates in β ladder)trans-100.2123.2165.1175.464.4000109.6V7 T29 T31 L40 I45 I47 M48 V49L5-V7 HydrophobicContact CD1-CG2 4.13Å; L5-V7 HydrophobicContact CD2-CG2 3.99Å; L5-V7 HydrophobicContact CG-CG2 3.75Å; L5-T29 CarbonylContact C-O 3.37Å; L5-T29 WeakPolarHBondContact CA-O 3.48Å; L5-T29 HydrophobicContact CD1-CG2 3.9Å; L5-T31 HydrophobicContact CD1-CG2 4.41Å; L5-L40 HydrophobicContact CD1-CD1 4.04Å; L5-I45 HydrophobicContact CB-CD1 4.02Å; L5-I45 HydrophobicContact CB-CG1 4.45Å; L5-I45 HydrophobicContact CB-CG2 3.9Å; L5-I45 HydrophobicContact CD2-CD1 3.76Å; L5-I45 HydrophobicContact CG-CD1 4.44Å; L5-I47 PolarHBondContact N-O 2.96Å; L5-M48 HydrophobicContact CB-CG 4.2Å; L5-M48 HydrophobicContact CD2-CG 4.37Å; L5-M48 HydrophobicContact CD2-SD 4.12Å; L5-M48 CarbonylContact O-C 3.57Å; L5-M48 WeakPolarHBondContact O-CA 3.42Å; L5-V49 PolarHBondContact O-N 2.86Å
6I98Very high94.9Very high1 Ų150.3 Ų50.31%0.00526%0.256CS..EExtended strand (participates in β ladder)trans-109.8127174.5-51.5179.3000108.6L4 C17 F21 V28 T29 T30 T31L4-I6 HydrophobicContact CD1-CG1 4.27Å; L4-I6 HydrophobicContact CD2-CD1 3.83Å; L4-I6 HydrophobicContact CD2-CG1 3.76Å; L4-I6 HydrophobicContact CG-CD1 4.34Å; L4-I6 HydrophobicContact CG-CG1 3.75Å; I6-C17 HydrophobicContact CD1-CB 3.77Å; I6-F21 HydrophobicContact CD1-CD2 3.96Å; I6-V28 HydrophobicContact CD1-CG1 3.65Å; I6-V28 HydrophobicContact CG1-CG1 3.95Å; I6-T29 PolarHBondContact N-O 3.11Å; I6-T30 HydrophobicContact CB-CG2 4.23Å; I6-T30 WeakPolarHBondContact O-CA 3.35Å; I6-T31 PolarHBondContact O-N 3.28Å; I6-T31 VanDerWaalsContact O-N 3.09Å
7V97.3Very high94.9Very high0 Ų047.4 Ų47.40%024%0.241CC..EExtended strand (participates in β ladder)trans-129.9113.5-178.7-167.70000109.3L5 T31 A37 V49 L50 D51 M54 I62L5-V7 HydrophobicContact CD1-CG2 4.13Å; L5-V7 HydrophobicContact CD2-CG2 3.99Å; L5-V7 HydrophobicContact CG-CG2 3.75Å; V7-T31 WeakPolarHBondContact CA-O 3.36Å; V7-T31 HydrophobicContact CB-CG2 4.47Å; V7-T31 HydrophobicContact CG1-CG2 4.06Å; V7-T31 HydrophobicContact CG2-CG2 3.99Å; V7-A37 HydrophobicContact CB-CB 4.4Å; V7-A37 HydrophobicContact CG1-CB 3.72Å; V7-A37 HydrophobicContact CG2-CB 3.74Å; V7-V49 PolarHBondContact N-O 3.34Å; V7-L50 HydrophobicContact CB-CD2 3.82Å; V7-L50 HydrophobicContact CG2-CD2 3.59Å; V7-L50 CarbonylContact O-C 3.54Å; V7-D51 PolarHBondContact O-N 2.81Å; V7-M54 HydrophobicContact CG1-CE 3.52Å; V7-M54 HydrophobicContact CG1-SD 3.65Å; V7-I62 HydrophobicContact CG1-CD1 3.94Å
8D95.7Very high95.1Very high0 Ų047.4 Ų47.40%024%0.24CC..  trans-157.7135.7179.9-164-58.1000108E10 I13 V14 T31 T32 D51 L78 K101D8-E10 PolarHBondContact O-N 3.21Å; D8-E10 WeakPolarHBondContact OD1-CB 3.32Å; D8-E10 PolarHBondContact OD1-N 2.85Å; D8-I13 WeakPolarHBondContact OD2-CG2 3.23Å; D8-V14 HydrophobicContact CB-CG2 3.79Å; D8-V14 VanDerWaalsContact O-CG2 3.28Å; D8-V14 WeakPolarHBondContact O-CG2 3.49Å; D8-T31 PolarHBondContact N-O 3.16Å; D8-T32 VanDerWaalsContact O-CA 3.26Å; D8-T32 WeakPolarHBondContact O-CA 3.44Å; D8-T32 WeakPolarHBondContact O-CG2 3.18Å; D8-D51 HydrophobicContact CB-CB 4.17Å; D8-L78 WeakPolarHBondContact OD2-CD1 3.21Å; D8-K101 VanDerWaalsContact CG-NZ 3.31Å; D8-K101 IonicContact OD1-NZ 2.62Å; D8-K101 PolarHBondContact OD1-NZ 3.48Å; D8-K101 VanDerWaalsContact OD1-NZ 3.15Å; D8-K101 WeakPolarHBondContact OD2-CE 3.41Å; D8-K101 IonicContact OD2-NZ 2.65Å; D8-K101 PolarHBondContact OD2-NZ 3.09Å
9D94.4Very high95.1Very high64 Ų6449.4 Ų49.434%0.34226%0.255SS..SBendtrans-75-14.1-178.564.2-51.9000112.7Q11 M54 P55D9-Q11 PolarHBondContact O-N 2.94Å; D9-M54 HydrophobicContact CB-CB 4.49Å; D9-M54 HydrophobicContact CB-CG 4.05Å; D9-P55 HydrophobicContact CB-CG 4.46Å
10E94.1Very high95.2Very high96 Ų9651.9 Ų51.945%0.44926%0.262SS..  trans-86.5102.1174.3-58.2-177.7-103.400111.1D8 D12 I13 V14 K101D8-E10 PolarHBondContact O-N 3.21Å; D8-E10 WeakPolarHBondContact OD1-CB 3.32Å; D8-E10 PolarHBondContact OD1-N 2.85Å; E10-D12 PolarHBondContact O-N 3.22Å; E10-D12 VanDerWaalsContact O-N 3.14Å; E10-I13 HydrophobicContact CB-CB 4.16Å; E10-I13 HydrophobicContact CB-CD1 3.89Å; E10-I13 HydrophobicContact CB-CG1 3.89Å; E10-I13 VanDerWaalsContact CD-CD1 3.47Å; E10-I13 HydrophobicContact CG-CD1 4.23Å; E10-I13 WeakPolarHBondContact O-CB 3.27Å; E10-I13 PolarHBondContact O-N 3.36Å; E10-I13 WeakPolarHBondContact OE1-CD1 3.45Å; E10-V14 PolarHBondContact O-N 3.01Å; E10-V14 VanDerWaalsContact O-N 3.11Å; E10-K101 IonicContact OE1-NZ 2.73Å; E10-K101 PolarHBondContact OE1-NZ 3.22Å
11Q94.3Very high95.3Very high91 Ų9149.4 Ų49.443%0.42525%0.249SC..Hα-helixtrans-52.8-38.7-179.8-171.267.45800113.2D9 I13 V14 D15D9-Q11 PolarHBondContact O-N 2.94Å; Q11-I13 VanDerWaalsContact C-N 3.28Å; Q11-I13 PolarHBondContact O-N 3.34Å; Q11-V14 WeakPolarHBondContact O-CB 3.4Å; Q11-V14 PolarHBondContact O-N 3.18Å; Q11-D15 PolarHBondContact NE2-OD1 3.17Å; Q11-D15 WeakPolarHBondContact O-CB 3.43Å; Q11-D15 VanDerWaalsContact O-CG 3.28Å; Q11-D15 PolarHBondContact O-N 3.48Å
12D93.8Very high95.9Very high138 Ų13845.3 Ų45.374%0.73823%0.228SC*.Hα-helixtrans-62.5-36179.1-69.3-18.3000112E10 I16E10-D12 PolarHBondContact O-N 3.22Å; E10-D12 VanDerWaalsContact O-N 3.14Å; D12-I16 WeakPolarHBondContact O-CB 3.23Å; D12-I16 WeakPolarHBondContact O-CG2 3.19Å; D12-I16 PolarHBondContact O-N 2.86Å; D12-I16 VanDerWaalsContact O-N 3.17Å
13I92.4Very high96Very high31 Ų3152.8 Ų52.816%0.15925%0.253CS..Hα-helixtrans-71.9-41.5176.2-62.4-176.3000110.2D8 E10 Q11 I16 C17 K101 F103D8-I13 WeakPolarHBondContact OD2-CG2 3.23Å; E10-I13 HydrophobicContact CB-CB 4.16Å; E10-I13 HydrophobicContact CB-CD1 3.89Å; E10-I13 HydrophobicContact CB-CG1 3.89Å; E10-I13 VanDerWaalsContact CD-CD1 3.47Å; E10-I13 HydrophobicContact CG-CD1 4.23Å; E10-I13 WeakPolarHBondContact O-CB 3.27Å; E10-I13 PolarHBondContact O-N 3.36Å; E10-I13 WeakPolarHBondContact OE1-CD1 3.45Å; Q11-I13 VanDerWaalsContact C-N 3.28Å; Q11-I13 PolarHBondContact O-N 3.34Å; I13-I16 WeakPolarHBondContact O-CG2 3.37Å; I13-C17 VanDerWaalsContact O-CB 3.29Å; I13-C17 WeakPolarHBondContact O-CB 3.44Å; I13-C17 PolarHBondContact O-N 3.36Å; I13-C17 PolarHBondContact O-SG 3.2Å; I13-K101 HydrophobicContact CD1-CD 4.17Å; I13-F103 HydrophobicContact CG2-CZ 4.19Å
14V95.9Very high95.8Very high0 Ų056.6 Ų56.60%027%0.271CS..Hα-helixtrans-59.6-51.4175.9174.10000110.9D8 E10 Q11 I16 C17 Q18 T30 T32D8-V14 HydrophobicContact CB-CG2 3.79Å; D8-V14 VanDerWaalsContact O-CG2 3.28Å; D8-V14 WeakPolarHBondContact O-CG2 3.49Å; E10-V14 PolarHBondContact O-N 3.01Å; E10-V14 VanDerWaalsContact O-N 3.11Å; Q11-V14 WeakPolarHBondContact O-CB 3.4Å; Q11-V14 PolarHBondContact O-N 3.18Å; V14-I16 PolarHBondContact O-N 2.75Å; V14-C17 PolarHBondContact O-N 2.83Å; V14-Q18 VanDerWaalsContact O-CB 3.27Å; V14-Q18 WeakPolarHBondContact O-CB 3.26Å; V14-Q18 PolarHBondContact O-N 3Å; V14-T30 HydrophobicContact CG1-CG2 3.58Å; V14-T32 HydrophobicContact CG2-CG2 4.15Å
15D96Very high95.7Very high71 Ų7158.6 Ų58.638%0.3829%0.292SS..Hα-helixtrans-64.1-44.1-175.3-72.2-7.4000111.9Q11 T19Q11-D15 PolarHBondContact NE2-OD1 3.17Å; Q11-D15 WeakPolarHBondContact O-CB 3.43Å; Q11-D15 VanDerWaalsContact O-CG 3.28Å; Q11-D15 PolarHBondContact O-N 3.48Å; D15-T19 WeakPolarHBondContact O-CB 3.44Å; D15-T19 PolarHBondContact O-N 3.26Å; D15-T19 PolarHBondContact O-OG1 3.02Å
16I95.7Very high95.6Very high77 Ų7759.5 Ų59.540%0.39530%0.295SS..Hα-helixtrans-69-40.6179.5-164.166.3000111.1D12 I13 V14 Y20 P105D12-I16 WeakPolarHBondContact O-CB 3.23Å; D12-I16 WeakPolarHBondContact O-CG2 3.19Å; D12-I16 PolarHBondContact O-N 2.86Å; D12-I16 VanDerWaalsContact O-N 3.17Å; I13-I16 WeakPolarHBondContact O-CG2 3.37Å; V14-I16 PolarHBondContact O-N 2.75Å; I16-Y20 HydrophobicContact CD1-CD2 4.23Å; I16-Y20 HydrophobicContact CD1-CE2 3.84Å; I16-Y20 HydrophobicContact CG1-CD2 4.23Å; I16-Y20 HydrophobicContact CG1-CE2 4.07Å; I16-Y20 VanDerWaalsContact O-CD2 3.23Å; I16-Y20 WeakPolarHBondContact O-CD2 3.08Å; I16-Y20 PolarHBondContact O-N 2.96Å; I16-P105 HydrophobicContact CG1-CG 3.86Å; I16-P105 HydrophobicContact CG2-CG 4.08Å
17C95.8Very high95.6Very high1 Ų164.2 Ų64.21%0.00732%0.316CS..Hα-helixtrans-66.4-45.6176.4-66.60000111I6 I13 V14 T19 Y20 F21I6-C17 HydrophobicContact CD1-CB 3.77Å; I13-C17 VanDerWaalsContact O-CB 3.29Å; I13-C17 WeakPolarHBondContact O-CB 3.44Å; I13-C17 PolarHBondContact O-N 3.36Å; I13-C17 PolarHBondContact O-SG 3.2Å; V14-C17 PolarHBondContact O-N 2.83Å; C17-T19 VanDerWaalsContact C-N 3.32Å; C17-T19 PolarHBondContact O-N 3.47Å; C17-Y20 PolarHBondContact O-N 3.14Å; C17-F21 HydrophobicContact CB-CD2 4.41Å; C17-F21 VanDerWaalsContact O-CD2 3.23Å; C17-F21 WeakPolarHBondContact O-CD2 3.31Å; C17-F21 PolarHBondContact O-N 3.09Å
18Q97.1Very high95.7Very high47 Ų4765.1 Ų65.122%0.2232%0.321CS..Hα-helixtrans-53.6-49.9176.7178.7174.2-3.900111.3V14 Y20 F21 E22 V28 T30V14-Q18 VanDerWaalsContact O-CB 3.27Å; V14-Q18 WeakPolarHBondContact O-CB 3.26Å; V14-Q18 PolarHBondContact O-N 3Å; Q18-Y20 VanDerWaalsContact C-N 3.32Å; Q18-Y20 PolarHBondContact O-N 2.86Å; Q18-F21 PolarHBondContact O-N 3.42Å; Q18-E22 HydrophobicContact CG-CG 4.15Å; Q18-E22 WeakPolarHBondContact CG-OE1 3.44Å; Q18-E22 PolarHBondContact NE2-OE1 2.86Å; Q18-E22 WeakPolarHBondContact O-CB 3.35Å; Q18-E22 WeakPolarHBondContact O-CG 3.44Å; Q18-E22 PolarHBondContact O-N 3.11Å; Q18-V28 HydrophobicContact CB-CG1 4.27Å; Q18-V28 HydrophobicContact CG-CB 4.17Å; Q18-V28 HydrophobicContact CG-CG1 4.04Å; Q18-T30 HydrophobicContact CB-CG2 3.95Å; Q18-T30 HydrophobicContact CG-CG2 4.15Å; Q18-T30 PolarHBondContact OE1-OG1 2.99Å
19T96.6Very high95.8Very high85 Ų8567 Ų6752%0.52133%0.333SS..Hα-helixtrans-56.4-45.6179.4-58.70000112D15 C17 Y23D15-T19 WeakPolarHBondContact O-CB 3.44Å; D15-T19 PolarHBondContact O-N 3.26Å; D15-T19 PolarHBondContact O-OG1 3.02Å; C17-T19 VanDerWaalsContact C-N 3.32Å; C17-T19 PolarHBondContact O-N 3.47Å; T19-Y23 WeakPolarHBondContact O-CB 3.39Å; T19-Y23 PolarHBondContact O-N 3.31Å; T19-Y23 VanDerWaalsContact O-N 3.09Å
20Y96.9Very high95.9Very high99 Ų9965.9 Ų65.939%0.38833%0.328SS..Hα-helixtrans-67.9-40.3179.9-88.6-107.1000112.4I16 C17 Q18 E24 P105 R106I16-Y20 HydrophobicContact CD1-CD2 4.23Å; I16-Y20 HydrophobicContact CD1-CE2 3.84Å; I16-Y20 HydrophobicContact CG1-CD2 4.23Å; I16-Y20 HydrophobicContact CG1-CE2 4.07Å; I16-Y20 VanDerWaalsContact O-CD2 3.23Å; I16-Y20 WeakPolarHBondContact O-CD2 3.08Å; I16-Y20 PolarHBondContact O-N 2.96Å; C17-Y20 PolarHBondContact O-N 3.14Å; Q18-Y20 VanDerWaalsContact C-N 3.32Å; Q18-Y20 PolarHBondContact O-N 2.86Å; Y20-E24 VanDerWaalsContact O-CG 3.32Å; Y20-E24 WeakPolarHBondContact O-CG 3.28Å; Y20-E24 PolarHBondContact O-N 3Å; Y20-P105 HydrophobicContact CD1-CB 3.99Å; Y20-P105 HydrophobicContact CD2-CB 3.83Å; Y20-P105 HydrophobicContact CD2-CG 4.43Å; Y20-P105 HydrophobicContact CE1-CB 4.33Å; Y20-P105 HydrophobicContact CE2-CB 4.17Å; Y20-P105 HydrophobicContact CE2-CG 4.42Å; Y20-P105 HydrophobicContact CG-CB 3.71Å; Y20-R106 HydrophobicContact CD1-CB 4.48Å; Y20-R106 HydrophobicContact CE1-CB 4.22Å
21F97.3Very high96.1Very high0 Ų061.6 Ų61.60%031%0.309CS..Hα-helixtrans-73.2-39.7-179.9-83.4-71000112.8L4 I6 C17 Q18 Y23 E24 G25 Y26 V28 L108 V109 I112L4-F21 HydrophobicContact CD2-CB 3.94Å; L4-F21 HydrophobicContact CD2-CD1 3.51Å; L4-F21 HydrophobicContact CD2-CD2 3.45Å; L4-F21 VanDerWaalsContact CD2-CD2 3.45Å; L4-F21 HydrophobicContact CD2-CE1 3.81Å; L4-F21 HydrophobicContact CD2-CE2 3.77Å; L4-F21 HydrophobicContact CD2-CG 3.34Å; L4-F21 HydrophobicContact CD2-CZ 3.95Å; I6-F21 HydrophobicContact CD1-CD2 3.96Å; C17-F21 HydrophobicContact CB-CD2 4.41Å; C17-F21 VanDerWaalsContact O-CD2 3.23Å; C17-F21 WeakPolarHBondContact O-CD2 3.31Å; C17-F21 PolarHBondContact O-N 3.09Å; Q18-F21 PolarHBondContact O-N 3.42Å; F21-Y23 VanDerWaalsContact C-N 3.31Å; F21-Y23 PolarHBondContact O-N 2.92Å; F21-E24 CarbonylContact O-C 3.59Å; F21-E24 PolarHBondContact O-N 3.43Å; F21-E24 VanDerWaalsContact O-N 3.16Å; F21-G25 PolarHBondContact O-N 2.58Å; F21-Y26 HydrophobicContact CB-CG 4.43Å; F21-Y26 HydrophobicContact CD1-CD1 4.33Å; F21-Y26 AromaticContact CD1-CD2 3.83Å; F21-Y26 HydrophobicContact CD1-CD2 3.83Å; F21-Y26 HydrophobicContact CD1-CE2 4.05Å; F21-Y26 AromaticContact CD1-CG 3.99Å; F21-Y26 HydrophobicContact CD1-CG 3.99Å; F21-Y26 WeakPolarHBondContact O-CB 3.32Å; F21-Y26 WeakPolarHBondContact O-CD2 3.31Å; F21-Y26 PolarHBondContact O-N 3.5Å; F21-V28 HydrophobicContact CB-CG2 3.63Å; F21-L108 HydrophobicContact CE2-CD2 3.9Å; F21-L108 HydrophobicContact CE2-CG 3.98Å; F21-L108 HydrophobicContact CZ-CD2 4.35Å; F21-L108 HydrophobicContact CZ-CG 3.93Å; F21-V109 HydrophobicContact CD1-CG2 3.89Å; F21-V109 HydrophobicContact CD2-CG2 4.29Å; F21-V109 HydrophobicContact CE1-CB 4.17Å; F21-V109 HydrophobicContact CE1-CG2 3.65Å; F21-V109 HydrophobicContact CE2-CG2 4.07Å; F21-V109 HydrophobicContact CG-CG2 4.19Å; F21-V109 HydrophobicContact CZ-CB 4.3Å; F21-V109 HydrophobicContact CZ-CG2 3.72Å; F21-I112 HydrophobicContact CE1-CB 4.13Å; F21-I112 HydrophobicContact CE1-CD1 3.7Å; F21-I112 HydrophobicContact CE1-CG1 4.35Å; F21-I112 HydrophobicContact CE1-CG2 4.29Å; F21-I112 HydrophobicContact CE2-CD1 4.31Å; F21-I112 HydrophobicContact CZ-CB 4.38Å; F21-I112 HydrophobicContact CZ-CD1 3.4Å; F21-I112 HydrophobicContact CZ-CG1 4.16Å
22E96.7Very high96.2Very high95 Ų9560 Ų6044%0.44431%0.305SS..Hα-helixtrans-63-39.4173.6-72.3-178.6172.600111.4Q18 E24 G25 V28Q18-E22 HydrophobicContact CG-CG 4.15Å; Q18-E22 WeakPolarHBondContact CG-OE1 3.44Å; Q18-E22 PolarHBondContact NE2-OE1 2.86Å; Q18-E22 WeakPolarHBondContact O-CB 3.35Å; Q18-E22 WeakPolarHBondContact O-CG 3.44Å; Q18-E22 PolarHBondContact O-N 3.11Å; E22-E24 PolarHBondContact O-N 3.2Å; E22-G25 PolarHBondContact O-N 3.36Å; E22-V28 HydrophobicContact CG-CB 4.14Å; E22-V28 HydrophobicContact CG-CG2 3.71Å
23Y95.2Very high96.2Very high195 Ų19555.4 Ų55.477%0.76528%0.284SS*.Hα-helixtrans-59.5-35.6173.4179.6-94.9000112.5T19 F21 G25T19-Y23 WeakPolarHBondContact O-CB 3.39Å; T19-Y23 PolarHBondContact O-N 3.31Å; T19-Y23 VanDerWaalsContact O-N 3.09Å; F21-Y23 VanDerWaalsContact C-N 3.31Å; F21-Y23 PolarHBondContact O-N 2.92Å; Y23-G25 PolarHBondContact O-N 2.86Å
24E93.5Very high96.3Very high98 Ų9854 Ų5446%0.45828%0.278SS..THydrogen-bonded Turntrans-81.14.3175.7-66.2-77.4145.400113.2Y20 F21 E22 Y26 V109Y20-E24 VanDerWaalsContact O-CG 3.32Å; Y20-E24 WeakPolarHBondContact O-CG 3.28Å; Y20-E24 PolarHBondContact O-N 3Å; F21-E24 CarbonylContact O-C 3.59Å; F21-E24 PolarHBondContact O-N 3.43Å; F21-E24 VanDerWaalsContact O-N 3.16Å; E22-E24 PolarHBondContact O-N 3.2Å; E24-Y26 HydrophobicContact CB-CD2 3.97Å; E24-Y26 HydrophobicContact CB-CE2 4.09Å; E24-V109 HydrophobicContact CB-CG1 4.46Å; E24-V109 HydrophobicContact CG-CG1 3.68Å; E24-V109 HydrophobicContact CG-CG2 4.38Å
25G94.7Very high96.2Very high42 Ų4259.8 Ų59.843%0.43330%0.302SS..THydrogen-bonded Turntrans8521.5174.100000114.8M1 F21 E22 Y23M1-G25 WeakPolarHBondContact CG-O 3.34Å; F21-G25 PolarHBondContact O-N 2.58Å; E22-G25 PolarHBondContact O-N 3.36Å; Y23-G25 PolarHBondContact O-N 2.86Å
26Y97Very high96.3Very high18 Ų1860.9 Ų60.97%0.07131%0.305CS..  trans-81.2147.7172.3-72.3-105.8000111.2T2 L4 F21 E24 I112 N113 L116T2-Y26 HydrophobicContact CG2-CD1 3.87Å; T2-Y26 HydrophobicContact CG2-CE1 3.62Å; L4-Y26 HydrophobicContact CB-CD1 4.13Å; F21-Y26 HydrophobicContact CB-CG 4.43Å; F21-Y26 HydrophobicContact CD1-CD1 4.33Å; F21-Y26 AromaticContact CD1-CD2 3.83Å; F21-Y26 HydrophobicContact CD1-CD2 3.83Å; F21-Y26 HydrophobicContact CD1-CE2 4.05Å; F21-Y26 AromaticContact CD1-CG 3.99Å; F21-Y26 HydrophobicContact CD1-CG 3.99Å; F21-Y26 WeakPolarHBondContact O-CB 3.32Å; F21-Y26 WeakPolarHBondContact O-CD2 3.31Å; F21-Y26 PolarHBondContact O-N 3.5Å; E24-Y26 HydrophobicContact CB-CD2 3.97Å; E24-Y26 HydrophobicContact CB-CE2 4.09Å; Y26-I112 HydrophobicContact CE1-CG2 4.03Å; Y26-N113 PolarHBondContact OH-OD1 3.38Å; Y26-L116 HydrophobicContact CE1-CD1 3.91Å; Y26-L116 WeakPolarHBondContact OH-CD1 3.48Å
27K97.9Very high96.3Very high101 Ų10157.2 Ų57.244%0.43929%0.287SS..EExtended strand (participates in β ladder)trans-81.5117.8158.9179.5-174.4170.8-155.70106.5M1 T2 H3 L4M1-K27 HydrophobicContact CE-CB 3.7Å; M1-K27 HydrophobicContact CE-CG 4.5Å; T2-K27 PolarHBondContact O-N 3.44Å; H3-K27 CarbonylContact C-O 3.53Å; H3-K27 VanDerWaalsContact CA-O 3.31Å; H3-K27 WeakPolarHBondContact CA-O 3.29Å; H3-K27 HydrophobicContact CB-CB 4.39Å; H3-K27 HydrophobicContact CB-CD 4.26Å; H3-K27 PolarHBondContact CD2-O 3.46Å; H3-K27 VanDerWaalsContact CD2-O 3.31Å; H3-K27 PolarHBondContact CE1-NZ 3.45Å; H3-K27 VanDerWaalsContact CE1-NZ 3.28Å; H3-K27 PolarHBondContact ND1-NZ 3.31Å; L4-K27 PolarHBondContact N-O 2.99Å
28V98Very high96.3Very high18 Ų1859.3 Ų59.311%0.10930%0.297CS..EExtended strand (participates in β ladder)trans-109.9130-177.3-169.80000109.8L4 I6 Q18 F21 E22 T30L4-V28 WeakPolarHBondContact O-CA 3.5Å; I6-V28 HydrophobicContact CD1-CG1 3.65Å; I6-V28 HydrophobicContact CG1-CG1 3.95Å; Q18-V28 HydrophobicContact CB-CG1 4.27Å; Q18-V28 HydrophobicContact CG-CB 4.17Å; Q18-V28 HydrophobicContact CG-CG1 4.04Å; F21-V28 HydrophobicContact CB-CG2 3.63Å; E22-V28 HydrophobicContact CG-CB 4.14Å; E22-V28 HydrophobicContact CG-CG2 3.71Å; V28-T30 HydrophobicContact CG1-CG2 3.72Å
29T98.3Very high96.3Very high40 Ų4061.4 Ų61.425%0.24532%0.317CS..EExtended strand (participates in β ladder)trans-111.3136.5162.8-64.10000107.6H3 L4 L5 I6 L40H3-T29 PolarHBondContact NE2-OG1 3.43Å; L4-T29 PolarHBondContact O-N 3.13Å; L5-T29 CarbonylContact C-O 3.37Å; L5-T29 WeakPolarHBondContact CA-O 3.48Å; L5-T29 HydrophobicContact CD1-CG2 3.9Å; I6-T29 PolarHBondContact N-O 3.11Å; T29-L40 HydrophobicContact CG2-CD1 3.96Å; T29-L40 HydrophobicContact CG2-CD2 4.41Å
30T97.7Very high96.3Very high41 Ų4159.9 Ų59.925%0.25231%0.305SS..EExtended strand (participates in β ladder)trans-126.5149.6-17756.90000110.6I6 V14 Q18 V28I6-T30 HydrophobicContact CB-CG2 4.23Å; I6-T30 WeakPolarHBondContact O-CA 3.35Å; V14-T30 HydrophobicContact CG1-CG2 3.58Å; Q18-T30 HydrophobicContact CB-CG2 3.95Å; Q18-T30 HydrophobicContact CG-CG2 4.15Å; Q18-T30 PolarHBondContact OE1-OG1 2.99Å; V28-T30 HydrophobicContact CG1-CG2 3.72Å
31T97.3Very high96.3Very high6 Ų655.8 Ų55.84%0.03729%0.29CS..EExtended strand (participates in β ladder)trans-155.2147.6168175.30000110L5 I6 V7 D8 S33 E36 A37 L40L5-T31 HydrophobicContact CD1-CG2 4.41Å; I6-T31 PolarHBondContact O-N 3.28Å; I6-T31 VanDerWaalsContact O-N 3.09Å; V7-T31 WeakPolarHBondContact CA-O 3.36Å; V7-T31 HydrophobicContact CB-CG2 4.47Å; V7-T31 HydrophobicContact CG1-CG2 4.06Å; V7-T31 HydrophobicContact CG2-CG2 3.99Å; D8-T31 PolarHBondContact N-O 3.16Å; T31-S33 PolarHBondContact OG1-N 2.94Å; T31-S33 VanDerWaalsContact OG1-N 3.08Å; T31-S33 PolarHBondContact OG1-O 3.16Å; T31-E36 WeakPolarHBondContact CB-OE2 3.24Å; T31-E36 WeakPolarHBondContact OG1-CB 3.3Å; T31-E36 PolarHBondContact OG1-OE2 2.8Å; T31-A37 HydrophobicContact CG2-CB 3.83Å; T31-L40 HydrophobicContact CG2-CD1 3.91Å
32T96.4Very high96.2Very high56 Ų5657.7 Ų57.734%0.34430%0.303SS..SBendtrans-99.26.5173.955.70000112.8D8 V14D8-T32 VanDerWaalsContact O-CA 3.26Å; D8-T32 WeakPolarHBondContact O-CA 3.44Å; D8-T32 WeakPolarHBondContact O-CG2 3.18Å; V14-T32 HydrophobicContact CG2-CG2 4.15Å
33S94.7Very high95.9Very high43 Ų4359.7 Ų59.730%0.30132%0.317SS..  trans-121.9120.6-177.3-178.50000111.3T31 K35 E36 A37T31-S33 PolarHBondContact OG1-N 2.94Å; T31-S33 VanDerWaalsContact OG1-N 3.08Å; T31-S33 PolarHBondContact OG1-O 3.16Å; S33-K35 PolarHBondContact O-N 2.83Å; S33-K35 PolarHBondContact OG-N 2.95Å; S33-E36 PolarHBondContact O-N 3.06Å; S33-E36 VanDerWaalsContact O-N 3.12Å; S33-A37 PolarHBondContact O-N 2.77Å
34G93.7Very high95.8Very high2 Ų256.1 Ų56.12%0.02131%0.311CS..Hα-helixtrans-61.4-27.9174.200000113.5I38G34-I38 WeakPolarHBondContact O-CG1 3.34Å; G34-I38 PolarHBondContact O-N 2.89Å; G34-I38 VanDerWaalsContact O-N 3.13Å
35K94.8Very high95.9Very high120 Ų12051.9 Ų51.952%0.52229%0.292SS..Hα-helixtrans-67.8-43.9173.6-73.2178.3175.9163.60111.9S33 I38 S39 E56 V57S33-K35 PolarHBondContact O-N 2.83Å; S33-K35 PolarHBondContact OG-N 2.95Å; K35-I38 PolarHBondContact O-N 2.87Å; K35-S39 PolarHBondContact O-N 3.09Å; K35-E56 WeakPolarHBondContact CE-OE2 3.46Å; K35-E56 IonicContact NZ-OE2 2.83Å; K35-E56 PolarHBondContact NZ-OE2 2.96Å; K35-V57 HydrophobicContact CG-CB 4.49Å; K35-V57 HydrophobicContact CG-CG2 3.59Å
36E96.3Very high95.8Very high95 Ų9553.3 Ų53.344%0.44429%0.289SS..Hα-helixtrans-67-41175.8-176.5177.8-156.900110.5T31 S33 I38 S39 L40T31-E36 WeakPolarHBondContact CB-OE2 3.24Å; T31-E36 WeakPolarHBondContact OG1-CB 3.3Å; T31-E36 PolarHBondContact OG1-OE2 2.8Å; S33-E36 PolarHBondContact O-N 3.06Å; S33-E36 VanDerWaalsContact O-N 3.12Å; E36-I38 VanDerWaalsContact C-N 3.27Å; E36-I38 PolarHBondContact O-N 3.28Å; E36-S39 CarbonylContact O-C 3.46Å; E36-S39 WeakPolarHBondContact O-CA 3.36Å; E36-S39 WeakPolarHBondContact O-CB 3.44Å; E36-S39 PolarHBondContact O-N 3.32Å; E36-S39 PolarHBondContact O-OG 2.61Å; E36-L40 HydrophobicContact CG-CD1 4.04Å; E36-L40 HydrophobicContact CG-CG 4.34Å; E36-L40 WeakPolarHBondContact O-CG 3.35Å; E36-L40 PolarHBondContact O-N 3.43Å
37A96.5Very high95.8Very high0 Ų052.4 Ų52.40%029%0.286CS..Hα-helixtrans-53.1-44.6174.800000112.2V7 T31 S33 S39 L40 L41 I62V7-A37 HydrophobicContact CB-CB 4.4Å; V7-A37 HydrophobicContact CG1-CB 3.72Å; V7-A37 HydrophobicContact CG2-CB 3.74Å; T31-A37 HydrophobicContact CG2-CB 3.83Å; S33-A37 PolarHBondContact O-N 2.77Å; A37-S39 VanDerWaalsContact C-N 3.28Å; A37-S39 PolarHBondContact O-N 2.9Å; A37-L40 PolarHBondContact O-N 3.08Å; A37-L40 VanDerWaalsContact O-N 3.13Å; A37-L41 WeakPolarHBondContact O-CG 3.43Å; A37-L41 PolarHBondContact O-N 3.38Å; A37-I62 HydrophobicContact CB-CD1 3.74Å; A37-I62 HydrophobicContact CB-CG1 4.26Å
38I96.4Very high95.7Very high45 Ų4547.6 Ų47.623%0.23127%0.265CS..Hα-helixtrans-57.9-39.2174.1-76.4172.7000112.4G34 K35 E36 L40 V57 I62 E65G34-I38 WeakPolarHBondContact O-CG1 3.34Å; G34-I38 PolarHBondContact O-N 2.89Å; G34-I38 VanDerWaalsContact O-N 3.13Å; K35-I38 PolarHBondContact O-N 2.87Å; E36-I38 VanDerWaalsContact C-N 3.27Å; E36-I38 PolarHBondContact O-N 3.28Å; I38-L40 VanDerWaalsContact C-N 3.32Å; I38-V57 HydrophobicContact CD1-CG1 3.71Å; I38-V57 HydrophobicContact CG1-CG1 4.48Å; I38-I62 HydrophobicContact CG1-CG1 4.3Å; I38-E65 HydrophobicContact CB-CG 4.3Å; I38-E65 HydrophobicContact CD1-CB 4.15Å; I38-E65 HydrophobicContact CD1-CG 4.19Å; I38-E65 HydrophobicContact CG1-CB 4.01Å; I38-E65 HydrophobicContact CG1-CG 3.93Å; I38-E65 HydrophobicContact CG2-CG 3.61Å
39S96.2Very high95.6Very high90 Ų9046.8 Ų46.863%0.62926%0.26SS*.Hα-helixtrans-74-22.4178.672.60000113.8K35 E36 A37K35-S39 PolarHBondContact O-N 3.09Å; E36-S39 CarbonylContact O-C 3.46Å; E36-S39 WeakPolarHBondContact O-CA 3.36Å; E36-S39 WeakPolarHBondContact O-CB 3.44Å; E36-S39 PolarHBondContact O-N 3.32Å; E36-S39 PolarHBondContact O-OG 2.61Å; A37-S39 VanDerWaalsContact C-N 3.28Å; A37-S39 PolarHBondContact O-N 2.9Å
40L97Very high95.4Very high54 Ų5444.9 Ų44.928%0.28325%0.248SC..Hα-helixtrans-84-16.8178-67.6170.2000113.3L5 T29 T31 E36 A37 I38 S42 I45L5-L40 HydrophobicContact CD1-CD1 4.04Å; T29-L40 HydrophobicContact CG2-CD1 3.96Å; T29-L40 HydrophobicContact CG2-CD2 4.41Å; T31-L40 HydrophobicContact CG2-CD1 3.91Å; E36-L40 HydrophobicContact CG-CD1 4.04Å; E36-L40 HydrophobicContact CG-CG 4.34Å; E36-L40 WeakPolarHBondContact O-CG 3.35Å; E36-L40 PolarHBondContact O-N 3.43Å; A37-L40 PolarHBondContact O-N 3.08Å; A37-L40 VanDerWaalsContact O-N 3.13Å; I38-L40 VanDerWaalsContact C-N 3.32Å; L40-S42 PolarHBondContact O-N 3.34Å; L40-S42 PolarHBondContact O-OG 3.36Å; L40-I45 WeakPolarHBondContact O-CD1 3.46Å
41L96.8Very high95.1Very high13 Ų1343.3 Ų43.37%0.06824%0.238CC..  trans-54.1122.1179.5-67.9175.8000111.3A37 M48 I62 E65 M66 L71 I73A37-L41 WeakPolarHBondContact O-CG 3.43Å; A37-L41 PolarHBondContact O-N 3.38Å; L41-M48 HydrophobicContact CD2-CE 4.44Å; L41-M48 HydrophobicContact CD2-SD 3.6Å; L41-I62 HydrophobicContact CD2-CG2 4.3Å; L41-E65 HydrophobicContact CD1-CB 4.25Å; L41-E65 HydrophobicContact CD1-CG 4.07Å; L41-M66 HydrophobicContact CD1-CB 3.98Å; L41-M66 HydrophobicContact CD2-CB 4.17Å; L41-M66 HydrophobicContact CD2-CG 4.45Å; L41-L71 HydrophobicContact CB-CD1 3.76Å; L41-I73 HydrophobicContact CD2-CD1 4.42Å
42S94.3Very high94.7Very high40 Ų4043 Ų4328%0.2824%0.237SC..  trans-161.3163.4-179.560.60000110.8L40 D44 I45 I73L40-S42 PolarHBondContact O-N 3.34Å; L40-S42 PolarHBondContact O-OG 3.36Å; S42-D44 PolarHBondContact O-N 2.84Å; S42-D44 VanDerWaalsContact O-N 3.17Å; S42-I45 PolarHBondContact O-N 3.05Å; S42-I73 WeakPolarHBondContact O-CD1 3.34Å
43N91.3Very high94.1Very high136 Ų13644.9 Ų44.973%0.72724%0.243SC*.THydrogen-bonded Turntrans-68.3-6.3175.4-71.4-55.5000113.7I45 L71N43-I45 VanDerWaalsContact C-N 3.28Å; N43-L71 WeakPolarHBondContact OD1-CD2 3.47Å
44D93.3Very high93.9Very high120 Ų12043.6 Ų43.664%0.64223%0.232SC*.THydrogen-bonded Turntrans-80-12.6176.7-67.8-23.8000112.4H3 S42H3-D44 VanDerWaalsContact CB-O 3.29Å; H3-D44 WeakPolarHBondContact CB-O 3.32Å; H3-D44 PolarHBondContact ND1-O 3.25Å; S42-D44 PolarHBondContact O-N 2.84Å; S42-D44 VanDerWaalsContact O-N 3.17Å
45I96Very high93.5Very high9 Ų947.4 Ų47.45%0.04626%0.256CS..  trans-87.8122.5177-59168.3000108.9L5 L40 S42 N43 I47 M48 I73L5-I45 HydrophobicContact CB-CD1 4.02Å; L5-I45 HydrophobicContact CB-CG1 4.45Å; L5-I45 HydrophobicContact CB-CG2 3.9Å; L5-I45 HydrophobicContact CD2-CD1 3.76Å; L5-I45 HydrophobicContact CG-CD1 4.44Å; L40-I45 WeakPolarHBondContact O-CD1 3.46Å; S42-I45 PolarHBondContact O-N 3.05Å; N43-I45 VanDerWaalsContact C-N 3.28Å; I45-I47 VanDerWaalsContact CG2-O 3.28Å; I45-I47 WeakPolarHBondContact CG2-O 3.26Å; I45-M48 HydrophobicContact CG2-CG 3.89Å; I45-I73 HydrophobicContact CB-CD1 4.11Å; I45-I73 HydrophobicContact CB-CG2 4.36Å; I45-I73 HydrophobicContact CG2-CD1 4.48Å; I45-I73 HydrophobicContact CG2-CG2 3.83Å; I45-I73 WeakPolarHBondContact O-CG2 3.4Å
46D92.9Very high93.1Very high72 Ų7248.9 Ų48.939%0.38527%0.265SS..SBendtrans-86.8-27.9179.8-66.5-61.1000112.8T2 H3 P74T2-D46 VanDerWaalsContact CA-OD2 3.24Å; T2-D46 WeakPolarHBondContact CA-OD2 3.09Å; T2-D46 HydrophobicContact CG2-CB 3.62Å; H3-D46 PolarHBondContact N-OD2 3.37Å; H3-D46 PolarHBondContact O-N 2.83Å; D46-P74 WeakPolarHBondContact O-CD 3.44Å
47I95.1Very high92.8Very high0 Ų045.2 Ų45.20%025%0.249CC..EExtended strand (participates in β ladder)trans-158.4149.8179-173.5166.3000111T2 H3 L4 L5 I45 P74 I76 I112 L115T2-I47 HydrophobicContact CG2-CG2 4.39Å; H3-I47 PolarHBondContact O-N 3.36Å; L4-I47 WeakPolarHBondContact CA-O 3.46Å; L4-I47 HydrophobicContact CB-CG2 4.26Å; L4-I47 HydrophobicContact CD1-CG2 3.79Å; L5-I47 PolarHBondContact N-O 2.96Å; I45-I47 VanDerWaalsContact CG2-O 3.28Å; I45-I47 WeakPolarHBondContact CG2-O 3.26Å; I47-P74 CarbonylContact C-O 3.59Å; I47-P74 VanDerWaalsContact CA-O 3.31Å; I47-P74 WeakPolarHBondContact CA-O 3.44Å; I47-P74 HydrophobicContact CG1-CB 4.34Å; I47-P74 WeakPolarHBondContact CG1-O 3.32Å; I47-I76 HydrophobicContact CD1-CD1 4.38Å; I47-I76 HydrophobicContact CD1-CG1 4.43Å; I47-I112 HydrophobicContact CD1-CB 4.29Å; I47-I112 HydrophobicContact CD1-CD1 4.16Å; I47-I112 HydrophobicContact CD1-CG1 3.89Å; I47-I112 HydrophobicContact CD1-CG2 3.83Å; I47-I112 HydrophobicContact CG2-CG2 4.28Å; I47-L115 HydrophobicContact CD1-CD1 4.33Å; I47-L115 HydrophobicContact CD1-CD2 4.15Å
48M95.8Very high92.4Very high0 Ų047.5 Ų47.50%026%0.261CS..EExtended strand (participates in β ladder)trans-118.7146174.3-55-174.1-63.800112.5L5 L41 I45 L50 M66 I73 P74 F75 I76L5-M48 HydrophobicContact CB-CG 4.2Å; L5-M48 HydrophobicContact CD2-CG 4.37Å; L5-M48 HydrophobicContact CD2-SD 4.12Å; L5-M48 CarbonylContact O-C 3.57Å; L5-M48 WeakPolarHBondContact O-CA 3.42Å; L41-M48 HydrophobicContact CD2-CE 4.44Å; L41-M48 HydrophobicContact CD2-SD 3.6Å; I45-M48 HydrophobicContact CG2-CG 3.89Å; M48-L50 HydrophobicContact CB-CD2 4.05Å; M48-L50 HydrophobicContact CB-CG 4.08Å; M48-L50 HydrophobicContact CE-CD1 4.11Å; M48-L50 HydrophobicContact SD-CD2 4.44Å; M48-M66 HydrophobicContact CE-CG 4.3Å; M48-M66 HydrophobicContact CE-SD 3.29Å; M48-M66 WeakPolarHBondContact CE-SD 3.41Å; M48-I73 HydrophobicContact CE-CB 4.21Å; M48-I73 HydrophobicContact CE-CG2 4.39Å; M48-I73 HydrophobicContact CG-CB 4.49Å; M48-I73 HydrophobicContact CG-CG2 3.74Å; M48-I73 HydrophobicContact SD-CD1 4.25Å; M48-I73 HydrophobicContact SD-CG2 4.41Å; M48-P74 PolarHBondContact N-O 3.04Å; M48-F75 HydrophobicContact CB-CB 4.02Å; M48-F75 HydrophobicContact CE-CB 3.9Å; M48-F75 HydrophobicContact CE-CG 4.48Å; M48-F75 WeakPolarHBondContact O-CA 3.21Å; M48-I76 PolarHBondContact O-N 3.35Å
49V96.1Very high92.1Very high0 Ų045.3 Ų45.30%025%0.25CS..EExtended strand (participates in β ladder)trans-116.2122.3163.8173.80000107.2L4 L5 V7 I76 L78 L108 I112L4-V49 HydrophobicContact CD1-CB 4.45Å; L4-V49 HydrophobicContact CD1-CG2 3.83Å; L5-V49 PolarHBondContact O-N 2.86Å; V7-V49 PolarHBondContact N-O 3.34Å; V49-I76 WeakPolarHBondContact CA-O 3.48Å; V49-L78 HydrophobicContact CG1-CD1 3.63Å; V49-L78 HydrophobicContact CG1-CD2 3.7Å; V49-L78 HydrophobicContact CG1-CG 3.6Å; V49-L108 HydrophobicContact CG1-CD2 4.04Å; V49-L108 HydrophobicContact CG2-CD1 4.23Å; V49-L108 HydrophobicContact CG2-CD2 4.25Å; V49-I112 HydrophobicContact CG2-CD1 3.53Å
50L94.4Very high91.7Very high0 Ų041.8 Ų41.80%022%0.223CC..EExtended strand (participates in β ladder)trans-127.1121.1-170.8-56.9177.7000110.2V7 M48 I52 I62 V63 F75 I76 Y77 L78V7-L50 HydrophobicContact CB-CD2 3.82Å; V7-L50 HydrophobicContact CG2-CD2 3.59Å; V7-L50 CarbonylContact O-C 3.54Å; M48-L50 HydrophobicContact CB-CD2 4.05Å; M48-L50 HydrophobicContact CB-CG 4.08Å; M48-L50 HydrophobicContact CE-CD1 4.11Å; M48-L50 HydrophobicContact SD-CD2 4.44Å; L50-I52 PolarHBondContact O-N 3.4Å; L50-I62 HydrophobicContact CD1-CG2 4.28Å; L50-I62 HydrophobicContact CD2-CD1 4.35Å; L50-I62 HydrophobicContact CD2-CG2 4.17Å; L50-V63 HydrophobicContact CD1-CG2 3.46Å; L50-V63 VanDerWaalsContact CD1-CG2 3.46Å; L50-F75 HydrophobicContact CD1-CB 4.35Å; L50-F75 HydrophobicContact CD1-CD2 4.43Å; L50-I76 PolarHBondContact N-O 2.97Å; L50-Y77 HydrophobicContact CB-CD1 3.94Å; L50-Y77 HydrophobicContact CB-CE1 4.15Å; L50-Y77 HydrophobicContact CD1-CE1 4.1Å; L50-Y77 CarbonylContact O-C 3.49Å; L50-Y77 WeakPolarHBondContact O-CA 3.41Å; L50-L78 PolarHBondContact O-N 2.75Å
51D92.2Very high91.3Very high8 Ų842.2 Ų42.24%0.04323%0.226CC..EExtended strand (participates in β ladder)trans-64132159.6-164.4-11.4000109.5V7 D8 M53 M54 G59 K101V7-D51 PolarHBondContact O-N 2.81Å; D8-D51 HydrophobicContact CB-CB 4.17Å; D51-M53 PolarHBondContact OD1-N 3.01Å; D51-M54 HydrophobicContact CB-CG 3.99Å; D51-M54 HydrophobicContact CB-SD 4.38Å; D51-G59 WeakPolarHBondContact O-CA 3.19Å; D51-G59 PolarHBondContact O-N 3.47Å; D51-K101 IonicContact OD2-NZ 2.95Å; D51-K101 PolarHBondContact OD2-NZ 2.63Å
52I87.8Confident91.2Very high1 Ų141.6 Ų41.61%0.00522%0.222CC..SBendtrans-66.1-48.8170.9-67.4172.1000109.5L50 M54 N58 G59 Y60 Y77 L78 A90L50-I52 PolarHBondContact O-N 3.4Å; I52-M54 PolarHBondContact O-N 3.4Å; I52-N58 VanDerWaalsContact O-CB 3.22Å; I52-N58 WeakPolarHBondContact O-CB 3.43Å; I52-G59 PolarHBondContact O-N 2.79Å; I52-Y60 HydrophobicContact CD1-CE1 4.21Å; I52-Y60 HydrophobicContact CG1-CE1 4.09Å; I52-Y60 HydrophobicContact CG2-CD2 4.19Å; I52-Y60 HydrophobicContact CG2-CE1 3.99Å; I52-Y60 HydrophobicContact CG2-CE2 3.43Å; I52-Y60 VanDerWaalsContact CG2-CE2 3.43Å; I52-Y60 WeakPolarHBondContact CG2-OH 3.44Å; I52-Y77 HydrophobicContact CD1-CD1 4.41Å; I52-Y77 HydrophobicContact CD1-CG 4.06Å; I52-Y77 HydrophobicContact CG1-CD1 3.6Å; I52-Y77 HydrophobicContact CG1-CD2 4.48Å; I52-Y77 HydrophobicContact CG1-CE1 4.28Å; I52-Y77 HydrophobicContact CG1-CG 3.74Å; I52-L78 WeakPolarHBondContact CG1-O 3.04Å; I52-L78 PolarHBondContact N-O 2.97Å; I52-L78 VanDerWaalsContact N-O 3.17Å; I52-A90 HydrophobicContact CD1-CB 3.91Å
53M85.1Confident91Very high95 Ų9539.7 Ų39.747%0.46821%0.209SC..  trans-9975.5-163.2-69-63.1-69.500112D51D51-M53 PolarHBondContact OD1-N 3.01Å
54M89.3Confident90.9Very high16 Ų1640.4 Ų40.48%0.07921%0.205CC..  trans-111.7151.6175.1-66.9-173.3-64.200112.8V7 D9 D51 I52 V57 I62V7-M54 HydrophobicContact CG1-CE 3.52Å; V7-M54 HydrophobicContact CG1-SD 3.65Å; D9-M54 HydrophobicContact CB-CB 4.49Å; D9-M54 HydrophobicContact CB-CG 4.05Å; D51-M54 HydrophobicContact CB-CG 3.99Å; D51-M54 HydrophobicContact CB-SD 4.38Å; I52-M54 PolarHBondContact O-N 3.4Å; M54-V57 WeakPolarHBondContact CB-O 3.45Å; M54-I62 HydrophobicContact CE-CD1 3.52Å
55P85.9Confident90.9Very high81 Ų8135.6 Ų35.653%0.52618%0.179SC..SBendtrans-67149.1174.727.6-33.8000112.1D9 V57D9-P55 HydrophobicContact CB-CG 4.46Å; P55-V57 PolarHBondContact O-N 2.68Å
56E87.2Confident90.8Very high152 Ų15235.2 Ų35.271%0.7118%0.177SC*.SBendtrans64.4-50.5178.4-50.6-173.1171.600116.6K35K35-E56 WeakPolarHBondContact CE-OE2 3.46Å; K35-E56 IonicContact NZ-OE2 2.83Å; K35-E56 PolarHBondContact NZ-OE2 2.96Å
57V88.7Confident90.5Very high17 Ų1735 Ų3510%0.10317%0.173CC..SBendtrans-136.3113.9179.8175.20000107.5K35 I38 M54 P55 D61 I62K35-V57 HydrophobicContact CG-CB 4.49Å; K35-V57 HydrophobicContact CG-CG2 3.59Å; I38-V57 HydrophobicContact CD1-CG1 3.71Å; I38-V57 HydrophobicContact CG1-CG1 4.48Å; M54-V57 WeakPolarHBondContact CB-O 3.45Å; P55-V57 PolarHBondContact O-N 2.68Å; V57-D61 HydrophobicContact CG1-CB 3.79Å; V57-I62 HydrophobicContact CG1-CG1 3.98Å
58N89.5Confident90.2Very high48 Ų4843.9 Ų43.926%0.25721%0.206SC..  trans-91.4172.3-175.472.433.6000111.2I52 Y60 D61 I62I52-N58 VanDerWaalsContact O-CB 3.22Å; I52-N58 WeakPolarHBondContact O-CB 3.43Å; N58-Y60 PolarHBondContact O-N 2.88Å; N58-Y60 VanDerWaalsContact O-N 3.17Å; N58-Y60 WeakPolarHBondContact OD1-CA 3.11Å; N58-Y60 WeakPolarHBondContact OD1-CB 3.14Å; N58-Y60 PolarHBondContact OD1-N 3.16Å; N58-D61 PolarHBondContact N-OD2 2.88Å; N58-D61 PolarHBondContact ND2-OD2 2.73Å; N58-D61 PolarHBondContact O-N 2.88Å; N58-D61 VanDerWaalsContact O-N 3.14Å; N58-D61 PolarHBondContact OD1-N 3.31Å; N58-D61 PolarHBondContact OD1-OD2 2.79Å; N58-I62 PolarHBondContact O-N 3.15Å
59G89.3Confident90Very high0 Ų047.8 Ų47.80%023%0.225CC..Hα-helixtrans-57.8-31.5-179.700000113.8D51 I52 I62 V63D51-G59 WeakPolarHBondContact O-CA 3.19Å; D51-G59 PolarHBondContact O-N 3.47Å; I52-G59 PolarHBondContact O-N 2.79Å; G59-I62 PolarHBondContact O-N 3.05Å; G59-V63 PolarHBondContact O-N 3.42Å; G59-V63 VanDerWaalsContact O-N 3.16Å
60Y87.5Confident89.5Confident16 Ų1657 Ų576%0.06327%0.265CS..Hα-helixtrans-69.5-40.2177.9-52.3-47.2000112.8I52 N58 I62 V63 K64 Y77 D86 Y89 A90 L93I52-Y60 HydrophobicContact CD1-CE1 4.21Å; I52-Y60 HydrophobicContact CG1-CE1 4.09Å; I52-Y60 HydrophobicContact CG2-CD2 4.19Å; I52-Y60 HydrophobicContact CG2-CE1 3.99Å; I52-Y60 HydrophobicContact CG2-CE2 3.43Å; I52-Y60 VanDerWaalsContact CG2-CE2 3.43Å; I52-Y60 WeakPolarHBondContact CG2-OH 3.44Å; N58-Y60 PolarHBondContact O-N 2.88Å; N58-Y60 VanDerWaalsContact O-N 3.17Å; N58-Y60 WeakPolarHBondContact OD1-CA 3.11Å; N58-Y60 WeakPolarHBondContact OD1-CB 3.14Å; N58-Y60 PolarHBondContact OD1-N 3.16Å; Y60-I62 VanDerWaalsContact C-N 3.3Å; Y60-I62 PolarHBondContact O-N 2.78Å; Y60-V63 PolarHBondContact O-N 2.75Å; Y60-K64 WeakPolarHBondContact O-CB 3.3Å; Y60-K64 PolarHBondContact O-N 2.96Å; Y60-Y77 HydrophobicContact CD1-CE1 4.2Å; Y60-Y77 HydrophobicContact CD1-CE2 4.12Å; Y60-Y77 AromaticContact CD1-CZ 3.68Å; Y60-Y77 WeakPolarHBondContact CD1-OH 3.49Å; Y60-Y77 HydrophobicContact CE1-CE1 4.48Å; Y60-Y77 HydrophobicContact CE1-CE2 4.03Å; Y60-D86 PolarHBondContact OH-O 2.88Å; Y60-Y89 AromaticContact CD1-CD1 3.81Å; Y60-Y89 HydrophobicContact CD1-CD1 3.81Å; Y60-Y89 AromaticContact CD1-CE1 4Å; Y60-Y89 HydrophobicContact CD1-CE1 4Å; Y60-Y89 AromaticContact CD2-CD1 3.55Å; Y60-Y89 HydrophobicContact CD2-CD1 3.55Å; Y60-Y89 AromaticContact CD2-CE1 3.62Å; Y60-Y89 HydrophobicContact CD2-CE1 3.62Å; Y60-Y89 AromaticContact CE1-CD1 3.73Å; Y60-Y89 HydrophobicContact CE1-CD1 3.73Å; Y60-Y89 HydrophobicContact CE1-CE1 4.39Å; Y60-Y89 AromaticContact CE2-CD1 3.46Å; Y60-Y89 HydrophobicContact CE2-CD1 3.46Å; Y60-Y89 VanDerWaalsContact CE2-CD1 3.46Å; Y60-Y89 HydrophobicContact CE2-CE1 4.04Å; Y60-Y89 HydrophobicContact CE2-CG 4.41Å; Y60-Y89 AromaticContact CG-CD1 3.69Å; Y60-Y89 HydrophobicContact CG-CD1 3.69Å; Y60-Y89 AromaticContact CG-CE1 3.56Å; Y60-Y89 HydrophobicContact CG-CE1 3.56Å; Y60-Y89 AromaticContact CZ-CD1 3.53Å; Y60-A90 HydrophobicContact CE1-CB 3.8Å; Y60-A90 PolarHBondContact OH-N 3.06Å; Y60-L93 HydrophobicContact CD1-CD1 3.31Å; Y60-L93 HydrophobicContact CE1-CD1 4.12Å; Y60-L93 HydrophobicContact CG-CD1 3.75Å
61D90Very high89.3Confident63 Ų6357.7 Ų57.734%0.33727%0.269SS..Hα-helixtrans-63-39.8176.8-66.2-45.1000110.7V57 N58 K64 E65V57-D61 HydrophobicContact CG1-CB 3.79Å; N58-D61 PolarHBondContact N-OD2 2.88Å; N58-D61 PolarHBondContact ND2-OD2 2.73Å; N58-D61 PolarHBondContact O-N 2.88Å; N58-D61 VanDerWaalsContact O-N 3.14Å; N58-D61 PolarHBondContact OD1-N 3.31Å; N58-D61 PolarHBondContact OD1-OD2 2.79Å; D61-K64 PolarHBondContact O-N 3.21Å; D61-E65 WeakPolarHBondContact O-CB 3.29Å; D61-E65 PolarHBondContact O-N 2.62Å
62I93.3Very high88.9Confident0 Ų060.7 Ų60.70%029%0.285CS..Hα-helixtrans-61.9-48175.6-61.4168000110.7V7 A37 I38 L41 L50 M54 V57 N58 G59 Y60 K64 E65 M66V7-I62 HydrophobicContact CG1-CD1 3.94Å; A37-I62 HydrophobicContact CB-CD1 3.74Å; A37-I62 HydrophobicContact CB-CG1 4.26Å; I38-I62 HydrophobicContact CG1-CG1 4.3Å; L41-I62 HydrophobicContact CD2-CG2 4.3Å; L50-I62 HydrophobicContact CD1-CG2 4.28Å; L50-I62 HydrophobicContact CD2-CD1 4.35Å; L50-I62 HydrophobicContact CD2-CG2 4.17Å; M54-I62 HydrophobicContact CE-CD1 3.52Å; V57-I62 HydrophobicContact CG1-CG1 3.98Å; N58-I62 PolarHBondContact O-N 3.15Å; G59-I62 PolarHBondContact O-N 3.05Å; Y60-I62 VanDerWaalsContact C-N 3.3Å; Y60-I62 PolarHBondContact O-N 2.78Å; I62-K64 VanDerWaalsContact C-N 3.34Å; I62-K64 PolarHBondContact O-N 2.91Å; I62-E65 WeakPolarHBondContact O-CB 3.38Å; I62-E65 PolarHBondContact O-N 2.65Å; I62-M66 WeakPolarHBondContact O-CB 3.5Å; I62-M66 PolarHBondContact O-N 2.87Å
63V90.7Very high89.1Confident0 Ų060.9 Ų60.90%029%0.286CS..Hα-helixtrans-66.5-37.3179.21700000111.9L50 G59 Y60 E65 M66 K67 F75 Y77L50-V63 HydrophobicContact CD1-CG2 3.46Å; L50-V63 VanDerWaalsContact CD1-CG2 3.46Å; G59-V63 PolarHBondContact O-N 3.42Å; G59-V63 VanDerWaalsContact O-N 3.16Å; Y60-V63 PolarHBondContact O-N 2.75Å; V63-E65 VanDerWaalsContact C-N 3.27Å; V63-E65 PolarHBondContact O-N 3.19Å; V63-M66 HydrophobicContact CG1-CE 4.34Å; V63-M66 PolarHBondContact O-N 2.63Å; V63-K67 HydrophobicContact CG1-CD 4.16Å; V63-K67 WeakPolarHBondContact O-CB 3.47Å; V63-K67 VanDerWaalsContact O-CG 3.31Å; V63-K67 WeakPolarHBondContact O-CG 3.2Å; V63-K67 PolarHBondContact O-N 3.26Å; V63-F75 HydrophobicContact CB-CZ 4.42Å; V63-F75 HydrophobicContact CG1-CE1 3.83Å; V63-F75 HydrophobicContact CG1-CE2 4.14Å; V63-F75 HydrophobicContact CG1-CZ 3.57Å; V63-F75 HydrophobicContact CG2-CD1 4.28Å; V63-F75 HydrophobicContact CG2-CD2 3.78Å; V63-F75 HydrophobicContact CG2-CE1 4.21Å; V63-F75 HydrophobicContact CG2-CE2 3.7Å; V63-F75 HydrophobicContact CG2-CG 4.09Å; V63-F75 HydrophobicContact CG2-CZ 3.94Å; V63-Y77 WeakPolarHBondContact CB-OH 3.05Å; V63-Y77 HydrophobicContact CG2-CE1 4.07Å; V63-Y77 WeakPolarHBondContact CG2-OH 3.25Å
64K89.3Confident89.3Confident150 Ų15056.9 Ų56.965%0.65227%0.266SS*.Hα-helixtrans-61-41.2174-175.7-179.7179.3-177.90110.7Y60 D61 I62 R68Y60-K64 WeakPolarHBondContact O-CB 3.3Å; Y60-K64 PolarHBondContact O-N 2.96Å; D61-K64 PolarHBondContact O-N 3.21Å; I62-K64 VanDerWaalsContact C-N 3.34Å; I62-K64 PolarHBondContact O-N 2.91Å; K64-R68 WeakPolarHBondContact O-CB 3.19Å; K64-R68 PolarHBondContact O-N 3.36Å
65E92.8Very high89.4Confident20 Ų2056.1 Ų56.19%0.09326%0.263CS..Hα-helixtrans-69.1-46.3177.9-173.552.7-144.700112.8I38 L41 D61 I62 V63 K67 R68 Q69I38-E65 HydrophobicContact CB-CG 4.3Å; I38-E65 HydrophobicContact CD1-CB 4.15Å; I38-E65 HydrophobicContact CD1-CG 4.19Å; I38-E65 HydrophobicContact CG1-CB 4.01Å; I38-E65 HydrophobicContact CG1-CG 3.93Å; I38-E65 HydrophobicContact CG2-CG 3.61Å; L41-E65 HydrophobicContact CD1-CB 4.25Å; L41-E65 HydrophobicContact CD1-CG 4.07Å; D61-E65 WeakPolarHBondContact O-CB 3.29Å; D61-E65 PolarHBondContact O-N 2.62Å; I62-E65 WeakPolarHBondContact O-CB 3.38Å; I62-E65 PolarHBondContact O-N 2.65Å; V63-E65 VanDerWaalsContact C-N 3.27Å; V63-E65 PolarHBondContact O-N 3.19Å; E65-K67 VanDerWaalsContact C-N 3.28Å; E65-K67 PolarHBondContact O-N 3.35Å; E65-R68 WeakPolarHBondContact O-CA 3.35Å; E65-R68 WeakPolarHBondContact O-CB 3.28Å; E65-R68 PolarHBondContact O-N 3.17Å; E65-R68 IonicContact OE1-CZ 3.17Å; E65-R68 IonicContact OE1-NE 3.1Å; E65-R68 PolarHBondContact OE1-NE 3.38Å; E65-R68 VanDerWaalsContact OE1-NE 3.1Å; E65-R68 IonicContact OE1-NH2 2.67Å; E65-R68 PolarHBondContact OE1-NH2 3.21Å; E65-R68 IonicContact OE2-CZ 2.72Å; E65-R68 IonicContact OE2-NE 2.96Å; E65-R68 PolarHBondContact OE2-NE 3.13Å; E65-R68 IonicContact OE2-NH1 3.25Å; E65-R68 PolarHBondContact OE2-NH1 3.01Å; E65-R68 IonicContact OE2-NH2 2.81Å; E65-R68 PolarHBondContact OE2-NH2 2.66Å; E65-Q69 WeakPolarHBondContact O-CG 3.39Å; E65-Q69 PolarHBondContact O-N 2.89Å; E65-Q69 PolarHBondContact OE1-NE2 3.45Å
66M93.3Very high89.6Confident0 Ų052.2 Ų52.20%024%0.238CC..Hα-helixtrans-50.9-49.5172.4178.4-159.274.300111L41 M48 I62 V63 R68 Q69 K70 L71 I73 F75L41-M66 HydrophobicContact CD1-CB 3.98Å; L41-M66 HydrophobicContact CD2-CB 4.17Å; L41-M66 HydrophobicContact CD2-CG 4.45Å; M48-M66 HydrophobicContact CE-CG 4.3Å; M48-M66 HydrophobicContact CE-SD 3.29Å; M48-M66 WeakPolarHBondContact CE-SD 3.41Å; I62-M66 WeakPolarHBondContact O-CB 3.5Å; I62-M66 PolarHBondContact O-N 2.87Å; V63-M66 HydrophobicContact CG1-CE 4.34Å; V63-M66 PolarHBondContact O-N 2.63Å; M66-R68 PolarHBondContact O-N 3.3Å; M66-Q69 CarbonylContact O-C 3.46Å; M66-Q69 PolarHBondContact O-N 3.26Å; M66-K70 PolarHBondContact O-N 3.31Å; M66-L71 HydrophobicContact CG-CB 3.59Å; M66-L71 HydrophobicContact CG-CD1 4.41Å; M66-L71 WeakPolarHBondContact O-CB 3.49Å; M66-L71 PolarHBondContact O-N 3.44Å; M66-I73 HydrophobicContact CG-CD1 4.22Å; M66-I73 HydrophobicContact SD-CB 3.75Å; M66-I73 HydrophobicContact SD-CD1 4.3Å; M66-I73 HydrophobicContact SD-CG1 4.25Å; M66-F75 HydrophobicContact CE-CD1 4.17Å; M66-F75 HydrophobicContact CE-CE1 4.14Å
67K87.5Confident89.7Confident69 Ų6945 Ų4530%0.320%0.204SC..Hα-helixtrans-65.7-37.5178.1-71.2175.8-176.6173.30112.5V63 E65 Q69 K70 L93V63-K67 HydrophobicContact CG1-CD 4.16Å; V63-K67 WeakPolarHBondContact O-CB 3.47Å; V63-K67 VanDerWaalsContact O-CG 3.31Å; V63-K67 WeakPolarHBondContact O-CG 3.2Å; V63-K67 PolarHBondContact O-N 3.26Å; E65-K67 VanDerWaalsContact C-N 3.28Å; E65-K67 PolarHBondContact O-N 3.35Å; K67-Q69 VanDerWaalsContact C-N 3.25Å; K67-Q69 PolarHBondContact O-N 3.12Å; K67-K70 WeakPolarHBondContact O-CA 3.44Å; K67-K70 PolarHBondContact O-N 2.86Å; K67-L93 PolarHBondContact NZ-O 2.87Å
68R89.4Confident89.7Confident185 Ų18544.2 Ų44.270%0.69820%0.199SC*.Hα-helixtrans-61.1-36.9175.1-171.2-179.676179.87.2111.5K64 E65 M66 K70K64-R68 WeakPolarHBondContact O-CB 3.19Å; K64-R68 PolarHBondContact O-N 3.36Å; E65-R68 WeakPolarHBondContact O-CA 3.35Å; E65-R68 WeakPolarHBondContact O-CB 3.28Å; E65-R68 PolarHBondContact O-N 3.17Å; E65-R68 IonicContact OE1-CZ 3.17Å; E65-R68 IonicContact OE1-NE 3.1Å; E65-R68 PolarHBondContact OE1-NE 3.38Å; E65-R68 VanDerWaalsContact OE1-NE 3.1Å; E65-R68 IonicContact OE1-NH2 2.67Å; E65-R68 PolarHBondContact OE1-NH2 3.21Å; E65-R68 IonicContact OE2-CZ 2.72Å; E65-R68 IonicContact OE2-NE 2.96Å; E65-R68 PolarHBondContact OE2-NE 3.13Å; E65-R68 IonicContact OE2-NH1 3.25Å; E65-R68 PolarHBondContact OE2-NH1 3.01Å; E65-R68 IonicContact OE2-NH2 2.81Å; E65-R68 PolarHBondContact OE2-NH2 2.66Å; M66-R68 PolarHBondContact O-N 3.3Å; R68-K70 PolarHBondContact O-N 3Å
69Q90.9Very high89.2Confident83 Ų8342.1 Ų42.139%0.38819%0.188SC..THydrogen-bonded Turntrans-77.22174.4-63.5-17829.500113.4E65 M66 K67 L71E65-Q69 WeakPolarHBondContact O-CG 3.39Å; E65-Q69 PolarHBondContact O-N 2.89Å; E65-Q69 PolarHBondContact OE1-NE2 3.45Å; M66-Q69 CarbonylContact O-C 3.46Å; M66-Q69 PolarHBondContact O-N 3.26Å; K67-Q69 VanDerWaalsContact C-N 3.25Å; K67-Q69 PolarHBondContact O-N 3.12Å; Q69-L71 HydrophobicContact CB-CD1 4.13Å; Q69-L71 HydrophobicContact CB-CG 4.06Å; Q69-L71 PolarHBondContact O-N 3.36Å
70K86.2Confident88.4Confident194 Ų19443.7 Ų43.784%0.84320%0.201SC*.THydrogen-bonded Turntrans58.927.1-176.1-53.2-179.3179.3179.80113.4M66 K67 R68M66-K70 PolarHBondContact O-N 3.31Å; K67-K70 WeakPolarHBondContact O-CA 3.44Å; K67-K70 PolarHBondContact O-N 2.86Å; R68-K70 PolarHBondContact O-N 3Å
71L89.2Confident87.1Confident14 Ų1450.4 Ų50.47%0.07323%0.23CC..  trans-81.6143.6170.1-61.4171.7000108.9L41 N43 M66 Q69 I73L41-L71 HydrophobicContact CB-CD1 3.76Å; N43-L71 WeakPolarHBondContact OD1-CD2 3.47Å; M66-L71 HydrophobicContact CG-CB 3.59Å; M66-L71 HydrophobicContact CG-CD1 4.41Å; M66-L71 WeakPolarHBondContact O-CB 3.49Å; M66-L71 PolarHBondContact O-N 3.44Å; Q69-L71 HydrophobicContact CB-CD1 4.13Å; Q69-L71 HydrophobicContact CB-CG 4.06Å; Q69-L71 PolarHBondContact O-N 3.36Å; L71-I73 HydrophobicContact CB-CD1 4.21Å; L71-I73 HydrophobicContact CB-CG1 4.27Å; L71-I73 HydrophobicContact CD1-CD1 4.19Å
72D84.9Confident85.3Confident71 Ų7153.5 Ų53.538%0.3825%0.252SS..  trans-124.154.4179.9-164.519.5000111.7P74 R154D72-P74 WeakPolarHBondContact O-CD 3.33Å; D72-R154 WeakPolarHBondContact OD1-CD 3.31Å; D72-R154 WeakPolarHBondContact OD1-CG 3.43Å; D72-R154 WeakPolarHBondContact OD2-CA 3.36Å; D72-R154 WeakPolarHBondContact OD2-CG 3.33Å
73I91Very high83.5Confident5 Ų556.3 Ų56.33%0.02627%0.265CS..  trans-81.8123.8-176.9-52.8161.4000107.9L41 S42 I45 M48 M66 L71 F75L41-I73 HydrophobicContact CD2-CD1 4.42Å; S42-I73 WeakPolarHBondContact O-CD1 3.34Å; I45-I73 HydrophobicContact CB-CD1 4.11Å; I45-I73 HydrophobicContact CB-CG2 4.36Å; I45-I73 HydrophobicContact CG2-CD1 4.48Å; I45-I73 HydrophobicContact CG2-CG2 3.83Å; I45-I73 WeakPolarHBondContact O-CG2 3.4Å; M48-I73 HydrophobicContact CE-CB 4.21Å; M48-I73 HydrophobicContact CE-CG2 4.39Å; M48-I73 HydrophobicContact CG-CB 4.49Å; M48-I73 HydrophobicContact CG-CG2 3.74Å; M48-I73 HydrophobicContact SD-CD1 4.25Å; M48-I73 HydrophobicContact SD-CG2 4.41Å; M66-I73 HydrophobicContact CG-CD1 4.22Å; M66-I73 HydrophobicContact SD-CB 3.75Å; M66-I73 HydrophobicContact SD-CD1 4.3Å; M66-I73 HydrophobicContact SD-CG1 4.25Å; L71-I73 HydrophobicContact CB-CD1 4.21Å; L71-I73 HydrophobicContact CB-CG1 4.27Å; L71-I73 HydrophobicContact CD1-CD1 4.19Å; I73-F75 WeakPolarHBondContact O-CD1 3.28Å; I73-F75 PolarHBondContact O-N 3.13Å
74P89.6Confident81.6Confident10 Ų1064.1 Ų64.17%0.06530%0.302CS..  trans-53.7138.6170.2-25.333.7000111.1D46 I47 M48 D72 D96 L115 I155D46-P74 WeakPolarHBondContact O-CD 3.44Å; I47-P74 CarbonylContact C-O 3.59Å; I47-P74 VanDerWaalsContact CA-O 3.31Å; I47-P74 WeakPolarHBondContact CA-O 3.44Å; I47-P74 HydrophobicContact CG1-CB 4.34Å; I47-P74 WeakPolarHBondContact CG1-O 3.32Å; M48-P74 PolarHBondContact N-O 3.04Å; D72-P74 WeakPolarHBondContact O-CD 3.33Å; P74-D96 WeakPolarHBondContact CA-OD2 3.49Å; P74-L115 HydrophobicContact CB-CD2 4.18Å; P74-I155 HydrophobicContact CG-CD1 3.58Å
75F90.9Very high79.8Confident0 Ų064.7 Ų64.70%031%0.306CS..EExtended strand (participates in β ladder)trans-142.7147.7-178.866-87.3000113.7M48 L50 V63 M66 I73 Y77 A95 D96 D97M48-F75 HydrophobicContact CB-CB 4.02Å; M48-F75 HydrophobicContact CE-CB 3.9Å; M48-F75 HydrophobicContact CE-CG 4.48Å; M48-F75 WeakPolarHBondContact O-CA 3.21Å; L50-F75 HydrophobicContact CD1-CB 4.35Å; L50-F75 HydrophobicContact CD1-CD2 4.43Å; V63-F75 HydrophobicContact CB-CZ 4.42Å; V63-F75 HydrophobicContact CG1-CE1 3.83Å; V63-F75 HydrophobicContact CG1-CE2 4.14Å; V63-F75 HydrophobicContact CG1-CZ 3.57Å; V63-F75 HydrophobicContact CG2-CD1 4.28Å; V63-F75 HydrophobicContact CG2-CD2 3.78Å; V63-F75 HydrophobicContact CG2-CE1 4.21Å; V63-F75 HydrophobicContact CG2-CE2 3.7Å; V63-F75 HydrophobicContact CG2-CG 4.09Å; V63-F75 HydrophobicContact CG2-CZ 3.94Å; M66-F75 HydrophobicContact CE-CD1 4.17Å; M66-F75 HydrophobicContact CE-CE1 4.14Å; I73-F75 WeakPolarHBondContact O-CD1 3.28Å; I73-F75 PolarHBondContact O-N 3.13Å; F75-Y77 HydrophobicContact CD2-CD2 4.46Å; F75-Y77 HydrophobicContact CD2-CE1 4.39Å; F75-Y77 HydrophobicContact CD2-CE2 4.2Å; F75-Y77 HydrophobicContact CE2-CD2 4.09Å; F75-Y77 HydrophobicContact CE2-CE1 4.37Å; F75-Y77 AromaticContact CE2-CE2 3.54Å; F75-Y77 HydrophobicContact CE2-CE2 3.54Å; F75-Y77 AromaticContact CE2-CZ 3.68Å; F75-A95 HydrophobicContact CD2-CB 3.99Å; F75-A95 HydrophobicContact CE2-CB 3.5Å; F75-A95 HydrophobicContact CZ-CB 4.23Å; F75-D96 PolarHBondContact N-OD2 2.91Å; F75-D96 VanDerWaalsContact N-OD2 3.1Å; F75-D96 PolarHBondContact O-N 3.22Å; F75-D97 PolarHBondContact O-N 3.11Å
76I90.4Very high78Confident0 Ų065.4 Ų65.40%031%0.311CS..EExtended strand (participates in β ladder)trans-115.8128.5175.8-55.4-169.4000108.5I47 M48 V49 L50 D97 V99 L108 I112 L115I47-I76 HydrophobicContact CD1-CD1 4.38Å; I47-I76 HydrophobicContact CD1-CG1 4.43Å; M48-I76 PolarHBondContact O-N 3.35Å; V49-I76 WeakPolarHBondContact CA-O 3.48Å; L50-I76 PolarHBondContact N-O 2.97Å; I76-D97 WeakPolarHBondContact CA-O 3.33Å; I76-D97 HydrophobicContact CB-CB 4.22Å; I76-D97 HydrophobicContact CD1-CB 3.68Å; I76-D97 HydrophobicContact CG1-CB 3.6Å; I76-D97 HydrophobicContact CG2-CB 3.97Å; I76-V99 HydrophobicContact CG2-CG2 3.91Å; I76-L108 HydrophobicContact CG2-CD1 4.29Å; I76-I112 HydrophobicContact CD1-CD1 4.26Å; I76-I112 HydrophobicContact CD1-CG1 3.48Å; I76-I112 VanDerWaalsContact CD1-CG1 3.48Å; I76-L115 HydrophobicContact CD1-CD1 4.35Å; I76-L115 HydrophobicContact CG1-CD1 4.37Å
77Y89.9Confident76.2Confident0 Ų066 Ų660%032%0.315CS..EExtended strand (participates in β ladder)trans-86.3138.6170.5-78-52000112L50 I52 Y60 V63 F75 A90 A95 D97 Y98 V99L50-Y77 HydrophobicContact CB-CD1 3.94Å; L50-Y77 HydrophobicContact CB-CE1 4.15Å; L50-Y77 HydrophobicContact CD1-CE1 4.1Å; L50-Y77 CarbonylContact O-C 3.49Å; L50-Y77 WeakPolarHBondContact O-CA 3.41Å; I52-Y77 HydrophobicContact CD1-CD1 4.41Å; I52-Y77 HydrophobicContact CD1-CG 4.06Å; I52-Y77 HydrophobicContact CG1-CD1 3.6Å; I52-Y77 HydrophobicContact CG1-CD2 4.48Å; I52-Y77 HydrophobicContact CG1-CE1 4.28Å; I52-Y77 HydrophobicContact CG1-CG 3.74Å; Y60-Y77 HydrophobicContact CD1-CE1 4.2Å; Y60-Y77 HydrophobicContact CD1-CE2 4.12Å; Y60-Y77 AromaticContact CD1-CZ 3.68Å; Y60-Y77 WeakPolarHBondContact CD1-OH 3.49Å; Y60-Y77 HydrophobicContact CE1-CE1 4.48Å; Y60-Y77 HydrophobicContact CE1-CE2 4.03Å; V63-Y77 WeakPolarHBondContact CB-OH 3.05Å; V63-Y77 HydrophobicContact CG2-CE1 4.07Å; V63-Y77 WeakPolarHBondContact CG2-OH 3.25Å; F75-Y77 HydrophobicContact CD2-CD2 4.46Å; F75-Y77 HydrophobicContact CD2-CE1 4.39Å; F75-Y77 HydrophobicContact CD2-CE2 4.2Å; F75-Y77 HydrophobicContact CE2-CD2 4.09Å; F75-Y77 HydrophobicContact CE2-CE1 4.37Å; F75-Y77 AromaticContact CE2-CE2 3.54Å; F75-Y77 HydrophobicContact CE2-CE2 3.54Å; F75-Y77 AromaticContact CE2-CZ 3.68Å; Y77-A90 HydrophobicContact CD2-CB 3.71Å; Y77-A90 HydrophobicContact CE2-CB 4.05Å; Y77-A95 HydrophobicContact CD2-CB 3.58Å; Y77-A95 HydrophobicContact CE2-CB 3.99Å; Y77-A95 HydrophobicContact CG-CB 4.47Å; Y77-D97 PolarHBondContact N-O 2.96Å; Y77-D97 VanDerWaalsContact N-O 3.15Å; Y77-Y98 CarbonylContact O-C 3.44Å; Y77-Y98 WeakPolarHBondContact O-CA 3.29Å; Y77-V99 PolarHBondContact O-N 3.13Å
78L88.6Confident74.7Confident0 Ų066.8 Ų66.80%032%0.321CS..EExtended strand (participates in β ladder)trans-92.4126.7161.6-51.1-179000107.9D8 V49 L50 I52 V99 F103 L108D8-L78 WeakPolarHBondContact OD2-CD1 3.21Å; V49-L78 HydrophobicContact CG1-CD1 3.63Å; V49-L78 HydrophobicContact CG1-CD2 3.7Å; V49-L78 HydrophobicContact CG1-CG 3.6Å; L50-L78 PolarHBondContact O-N 2.75Å; I52-L78 WeakPolarHBondContact CG1-O 3.04Å; I52-L78 PolarHBondContact N-O 2.97Å; I52-L78 VanDerWaalsContact N-O 3.17Å; L78-V99 WeakPolarHBondContact CA-O 3.3Å; L78-V99 HydrophobicContact CD2-CB 4Å; L78-F103 HydrophobicContact CB-CE1 4.39Å; L78-F103 HydrophobicContact CD1-CE1 3.89Å; L78-F103 HydrophobicContact CD1-CZ 3.75Å; L78-F103 HydrophobicContact CD2-CD1 4.36Å; L78-F103 HydrophobicContact CD2-CE1 3.63Å; L78-F103 HydrophobicContact CD2-CZ 3.76Å; L78-F103 HydrophobicContact CG-CE1 4.17Å; L78-F103 HydrophobicContact CG-CZ 4.34Å; L78-L108 HydrophobicContact CD2-CD1 4.31Å; L78-L108 HydrophobicContact CD2-CD2 4.38Å
79T78.1Confident73.3Confident4 Ų463.7 Ų63.73%0.02531%0.31CS..EExtended strand (participates in β ladder)trans-128.9140.5-175.7-179.40000111.2Y98 V99 K100 K101T79-Y98 HydrophobicContact CG2-CD2 4.32Å; T79-V99 PolarHBondContact N-O 3.29Å; T79-K100 HydrophobicContact CG2-CG 3.92Å; T79-K100 CarbonylContact O-C 3.57Å; T79-K100 VanDerWaalsContact O-CA 3.25Å; T79-K100 WeakPolarHBondContact O-CA 3.47Å; T79-K101 PolarHBondContact O-N 3.45Å
80A74Confident71.6Confident34 Ų3460 Ų6028%0.28129%0.293SS..EExtended strand (participates in β ladder)trans-68.6149.3169.100000110.9T82A80-T82 PolarHBondContact O-N 3.22Å
81K58.9Low70.3Confident156 Ų15650.9 Ų50.968%0.67825%0.254SS*.THydrogen-bonded Turntrans-60.4-23.1177.4-93.7-174.1177.2-177.10114.5K100K81-K100 HydrophobicContact CG-CB 4.32Å; K81-K100 HydrophobicContact CG-CD 4.32Å
82T53.1Low68.9Low128 Ų12853.4 Ų53.479%0.78527%0.27SS*.THydrogen-bonded Turntrans-93.7-0.9-162.441.30000115.4A80A80-T82 PolarHBondContact O-N 3.22Å
83Q53.9Low68Low60 Ų6051.5 Ų51.528%0.2826%0.26SS..  trans-120.477.6-172.7-68.4176-47.900111.7H85 D86 T87Q83-H85 PolarHBondContact O-N 3.27Å; Q83-H85 VanDerWaalsContact O-N 3.16Å; Q83-D86 HydrophobicContact CB-CB 3.75Å; Q83-D86 WeakPolarHBondContact CB-OD2 3.42Å; Q83-D86 WeakPolarHBondContact CG-OD2 3.43Å; Q83-D86 PolarHBondContact NE2-OD2 2.98Å; Q83-D86 VanDerWaalsContact NE2-OD2 3.14Å; Q83-D86 PolarHBondContact O-N 3.1Å; Q83-D86 PolarHBondContact OE1-OD2 3.4Å; Q83-T87 PolarHBondContact O-N 3.44Å; Q83-T87 VanDerWaalsContact O-N 3.09Å; Q83-T87 PolarHBondContact O-OG1 2.78Å
84E51.6Low66.9Low164 Ų16451.2 Ų51.277%0.76626%0.258SS*.Hα-helixtrans-48.1-41.3170.6-92.8180166.100111.7D86 T87 I88E84-D86 PolarHBondContact O-N 2.91Å; E84-T87 WeakPolarHBondContact CA-OG1 3.28Å; E84-T87 PolarHBondContact O-N 3.28Å; E84-T87 PolarHBondContact O-OG1 2.74Å; E84-I88 PolarHBondContact O-N 2.96Å; E84-I88 VanDerWaalsContact O-N 3.13Å
85H52Low66.3Low161 Ų16151 Ų5175%0.74526%0.257SS*.Hα-helixtrans-61.6-39.1177.2-81.3-75.8000113.7Q83 I88 Y89Q83-H85 PolarHBondContact O-N 3.27Å; Q83-H85 VanDerWaalsContact O-N 3.16Å; H85-I88 PolarHBondContact O-N 3.15Å; H85-Y89 PolarHBondContact O-N 3.17Å
86D55.1Low65.8Low35 Ų3551.1 Ų51.119%0.18726%0.258CS..Hα-helixtrans-72.6-37.6177.9-72.4-53.2000111Y60 Q83 E84 I88 Y89 A90Y60-D86 PolarHBondContact OH-O 2.88Å; Q83-D86 HydrophobicContact CB-CB 3.75Å; Q83-D86 WeakPolarHBondContact CB-OD2 3.42Å; Q83-D86 WeakPolarHBondContact CG-OD2 3.43Å; Q83-D86 PolarHBondContact NE2-OD2 2.98Å; Q83-D86 VanDerWaalsContact NE2-OD2 3.14Å; Q83-D86 PolarHBondContact O-N 3.1Å; Q83-D86 PolarHBondContact OE1-OD2 3.4Å; E84-D86 PolarHBondContact O-N 2.91Å; D86-I88 VanDerWaalsContact C-N 3.3Å; D86-I88 PolarHBondContact O-N 3.25Å; D86-Y89 PolarHBondContact O-N 2.76Å; D86-Y89 VanDerWaalsContact O-N 3.13Å; D86-A90 WeakPolarHBondContact O-CB 3.34Å; D86-A90 PolarHBondContact O-N 2.96Å
87T55.5Low65.2Low14 Ų1451.7 Ų51.79%0.08626%0.261CS..Hα-helixtrans-54.9-47.1171.3-1.70000111.3Q83 E84 Y89 A90 L91Q83-T87 PolarHBondContact O-N 3.44Å; Q83-T87 VanDerWaalsContact O-N 3.09Å; Q83-T87 PolarHBondContact O-OG1 2.78Å; E84-T87 WeakPolarHBondContact CA-OG1 3.28Å; E84-T87 PolarHBondContact O-N 3.28Å; E84-T87 PolarHBondContact O-OG1 2.74Å; T87-Y89 VanDerWaalsContact C-N 3.34Å; T87-Y89 PolarHBondContact O-N 3.16Å; T87-A90 PolarHBondContact O-N 2.82Å; T87-L91 WeakPolarHBondContact O-CB 3.3Å; T87-L91 WeakPolarHBondContact O-CD1 3.31Å; T87-L91 WeakPolarHBondContact O-CG 3.39Å; T87-L91 PolarHBondContact O-N 3.45Å
88I55.5Low64.8Low84 Ų8452.9 Ų52.943%0.43127%0.266SS..Hα-helixtrans-59.7-44.8178.2-64.2170.8000111E84 H85 D86 L91 T92E84-I88 PolarHBondContact O-N 2.96Å; E84-I88 VanDerWaalsContact O-N 3.13Å; H85-I88 PolarHBondContact O-N 3.15Å; D86-I88 VanDerWaalsContact C-N 3.3Å; D86-I88 PolarHBondContact O-N 3.25Å; I88-L91 WeakPolarHBondContact O-CB 3.25Å; I88-L91 PolarHBondContact O-N 3.49Å; I88-T92 WeakPolarHBondContact O-CG2 3.34Å; I88-T92 PolarHBondContact O-N 2.94Å
89Y61Low64.6Low121 Ų12152.9 Ų52.948%0.47527%0.266SS..Hα-helixtrans-66.8-45.1179.7-166.7-99000112.3Y60 H85 D86 T87 L91 T92 L93Y60-Y89 AromaticContact CD1-CD1 3.81Å; Y60-Y89 HydrophobicContact CD1-CD1 3.81Å; Y60-Y89 AromaticContact CD1-CE1 4Å; Y60-Y89 HydrophobicContact CD1-CE1 4Å; Y60-Y89 AromaticContact CD2-CD1 3.55Å; Y60-Y89 HydrophobicContact CD2-CD1 3.55Å; Y60-Y89 AromaticContact CD2-CE1 3.62Å; Y60-Y89 HydrophobicContact CD2-CE1 3.62Å; Y60-Y89 AromaticContact CE1-CD1 3.73Å; Y60-Y89 HydrophobicContact CE1-CD1 3.73Å; Y60-Y89 HydrophobicContact CE1-CE1 4.39Å; Y60-Y89 AromaticContact CE2-CD1 3.46Å; Y60-Y89 HydrophobicContact CE2-CD1 3.46Å; Y60-Y89 VanDerWaalsContact CE2-CD1 3.46Å; Y60-Y89 HydrophobicContact CE2-CE1 4.04Å; Y60-Y89 HydrophobicContact CE2-CG 4.41Å; Y60-Y89 AromaticContact CG-CD1 3.69Å; Y60-Y89 HydrophobicContact CG-CD1 3.69Å; Y60-Y89 AromaticContact CG-CE1 3.56Å; Y60-Y89 HydrophobicContact CG-CE1 3.56Å; Y60-Y89 AromaticContact CZ-CD1 3.53Å; H85-Y89 PolarHBondContact O-N 3.17Å; D86-Y89 PolarHBondContact O-N 2.76Å; D86-Y89 VanDerWaalsContact O-N 3.13Å; T87-Y89 VanDerWaalsContact C-N 3.34Å; T87-Y89 PolarHBondContact O-N 3.16Å; Y89-L91 PolarHBondContact O-N 2.81Å; Y89-T92 WeakPolarHBondContact CA-OG1 3.42Å; Y89-T92 WeakPolarHBondContact O-CA 3.17Å; Y89-T92 PolarHBondContact O-N 3.14Å; Y89-T92 PolarHBondContact O-OG1 2.94Å; Y89-L93 HydrophobicContact CD1-CD1 3.87Å; Y89-L93 HydrophobicContact CD1-CG 4.43Å; Y89-L93 HydrophobicContact CE1-CD1 3.46Å; Y89-L93 VanDerWaalsContact CE1-CD1 3.46Å; Y89-L93 HydrophobicContact CE1-CG 4.15Å; Y89-L93 PolarHBondContact O-N 3.24Å
90A55.3Low64.9Low4 Ų456 Ų563%0.03328%0.279CS..Hα-helixtrans-53.9-42.7172.400000112.3I52 Y60 Y77 D86 T87 L93 G94I52-A90 HydrophobicContact CD1-CB 3.91Å; Y60-A90 HydrophobicContact CE1-CB 3.8Å; Y60-A90 PolarHBondContact OH-N 3.06Å; Y77-A90 HydrophobicContact CD2-CB 3.71Å; Y77-A90 HydrophobicContact CE2-CB 4.05Å; D86-A90 WeakPolarHBondContact O-CB 3.34Å; D86-A90 PolarHBondContact O-N 2.96Å; T87-A90 PolarHBondContact O-N 2.82Å; A90-L93 PolarHBondContact O-N 2.92Å; A90-L93 VanDerWaalsContact O-N 3.16Å; A90-G94 PolarHBondContact O-N 2.9Å
91L58.4Low65.4Low4 Ų455.7 Ų55.72%0.02127%0.271CS..Hα-helixtrans-65.2-42.3176.5-66.1159000110.9T87 I88 Y89 L93 G94 Y98 D189 N191 V195T87-L91 WeakPolarHBondContact O-CB 3.3Å; T87-L91 WeakPolarHBondContact O-CD1 3.31Å; T87-L91 WeakPolarHBondContact O-CG 3.39Å; T87-L91 PolarHBondContact O-N 3.45Å; I88-L91 WeakPolarHBondContact O-CB 3.25Å; I88-L91 PolarHBondContact O-N 3.49Å; Y89-L91 PolarHBondContact O-N 2.81Å; L91-L93 PolarHBondContact O-N 3.47Å; L91-G94 WeakPolarHBondContact O-CA 3.46Å; L91-G94 PolarHBondContact O-N 2.77Å; L91-Y98 HydrophobicContact CD2-CD1 4.11Å; L91-Y98 HydrophobicContact CD2-CE1 3.74Å; L91-D189 HydrophobicContact CD1-CB 3.88Å; L91-D189 VanDerWaalsContact CD1-OD1 3.31Å; L91-D189 WeakPolarHBondContact CD1-OD1 3.35Å; L91-D189 WeakPolarHBondContact CD1-OD2 3.28Å; L91-D189 HydrophobicContact CD2-CB 4.45Å; L91-N191 HydrophobicContact CB-CB 4.19Å; L91-N191 HydrophobicContact CD1-CB 3.87Å; L91-V195 WeakPolarHBondContact O-CB 3.45Å; L91-V195 VanDerWaalsContact O-CG1 3.29Å; L91-V195 WeakPolarHBondContact O-CG1 3.41Å; L91-V195 WeakPolarHBondContact O-CG2 3.46Å
92T59.6Low66.7Low66 Ų6654 Ų5441%0.40528%0.276SS..Hα-helixtrans-62.3-23.4174.462.90000113.9I88 Y89 G94 V195 R199I88-T92 WeakPolarHBondContact O-CG2 3.34Å; I88-T92 PolarHBondContact O-N 2.94Å; Y89-T92 WeakPolarHBondContact CA-OG1 3.42Å; Y89-T92 WeakPolarHBondContact O-CA 3.17Å; Y89-T92 PolarHBondContact O-N 3.14Å; Y89-T92 PolarHBondContact O-OG1 2.94Å; T92-G94 VanDerWaalsContact C-N 3.3Å; T92-V195 HydrophobicContact CG2-CG2 4.21Å; T92-V195 VanDerWaalsContact O-CG1 3.27Å; T92-V195 WeakPolarHBondContact O-CG1 3.27Å; T92-R199 PolarHBondContact O-NH2 3.32Å
93L66Low68.3Low31 Ų3149.6 Ų49.616%0.16225%0.246CC..THydrogen-bonded Turntrans-86.2-1.8174.4-67177.3000113.7Y60 K67 Y89 A90 L91 R199Y60-L93 HydrophobicContact CD1-CD1 3.31Å; Y60-L93 HydrophobicContact CE1-CD1 4.12Å; Y60-L93 HydrophobicContact CG-CD1 3.75Å; K67-L93 PolarHBondContact NZ-O 2.87Å; Y89-L93 HydrophobicContact CD1-CD1 3.87Å; Y89-L93 HydrophobicContact CD1-CG 4.43Å; Y89-L93 HydrophobicContact CE1-CD1 3.46Å; Y89-L93 VanDerWaalsContact CE1-CD1 3.46Å; Y89-L93 HydrophobicContact CE1-CG 4.15Å; Y89-L93 PolarHBondContact O-N 3.24Å; A90-L93 PolarHBondContact O-N 2.92Å; A90-L93 VanDerWaalsContact O-N 3.16Å; L91-L93 PolarHBondContact O-N 3.47Å; L93-R199 PolarHBondContact O-NH1 2.94Å; L93-R199 PolarHBondContact O-NH2 3.23Å
94G68.4Low70Confident0 Ų049.5 Ų49.50%025%0.252CS..THydrogen-bonded Turntrans6449.6171.100000112.3A90 L91 T92 R154A90-G94 PolarHBondContact O-N 2.9Å; L91-G94 WeakPolarHBondContact O-CA 3.46Å; L91-G94 PolarHBondContact O-N 2.77Å; T92-G94 VanDerWaalsContact C-N 3.3Å; G94-R154 PolarHBondContact O-NH1 3.38Å; G94-R154 PolarHBondContact O-NH2 2.97Å
95A76.5Confident71.8Confident5 Ų542.7 Ų42.74%0.04122%0.222CC..  trans-56.2148.8169.200000111.5F75 Y77 D97F75-A95 HydrophobicContact CD2-CB 3.99Å; F75-A95 HydrophobicContact CE2-CB 3.5Å; F75-A95 HydrophobicContact CZ-CB 4.23Å; Y77-A95 HydrophobicContact CD2-CB 3.58Å; Y77-A95 HydrophobicContact CE2-CB 3.99Å; Y77-A95 HydrophobicContact CG-CB 4.47Å; A95-D97 VanDerWaalsContact CB-O 3.3Å; A95-D97 WeakPolarHBondContact CB-O 3.42Å
96D79Confident73.6Confident3 Ų343.2 Ų43.22%0.01622%0.218CC..SBendtrans-77.7-31.1176.1-62.5-85.8000111.2P74 F75 L115 R154 K156P74-D96 WeakPolarHBondContact CA-OD2 3.49Å; F75-D96 PolarHBondContact N-OD2 2.91Å; F75-D96 VanDerWaalsContact N-OD2 3.1Å; F75-D96 PolarHBondContact O-N 3.22Å; D96-L115 HydrophobicContact CB-CD1 3.76Å; D96-R154 IonicContact OD2-NH1 2.96Å; D96-R154 PolarHBondContact OD2-NH1 2.83Å; D96-K156 HydrophobicContact CB-CG 4.02Å; D96-K156 WeakPolarHBondContact OD1-CG 3.17Å
97D79.2Confident75.2Confident12 Ų1245.1 Ų45.16%0.06423%0.225CC..EExtended strand (participates in β ladder)trans-143.8169.7166.6-149.1-41.8000111.9F75 I76 Y77 A95 R111 L115 Y186F75-D97 PolarHBondContact O-N 3.11Å; I76-D97 WeakPolarHBondContact CA-O 3.33Å; I76-D97 HydrophobicContact CB-CB 4.22Å; I76-D97 HydrophobicContact CD1-CB 3.68Å; I76-D97 HydrophobicContact CG1-CB 3.6Å; I76-D97 HydrophobicContact CG2-CB 3.97Å; Y77-D97 PolarHBondContact N-O 2.96Å; Y77-D97 VanDerWaalsContact N-O 3.15Å; A95-D97 VanDerWaalsContact CB-O 3.3Å; A95-D97 WeakPolarHBondContact CB-O 3.42Å; D97-R111 IonicContact OD1-NH1 2.63Å; D97-R111 IonicContact OD2-NH1 2.74Å; D97-L115 HydrophobicContact CB-CD1 4.4Å; D97-Y186 VanDerWaalsContact C-OH 3.22Å; D97-Y186 WeakPolarHBondContact CA-OH 3.11Å; D97-Y186 WeakPolarHBondContact OD1-CE2 3.46Å; D97-Y186 PolarHBondContact OD1-OH 3.16Å; D97-Y186 VanDerWaalsContact OD1-OH 3.05Å
98Y81.8Confident76.9Confident24 Ų2444.4 Ų44.49%0.09422%0.221CC..EExtended strand (participates in β ladder)trans-144.4147.3162.864.4-97.2000111.4Y77 T79 L91 Y186 D189Y77-Y98 CarbonylContact O-C 3.44Å; Y77-Y98 WeakPolarHBondContact O-CA 3.29Å; T79-Y98 HydrophobicContact CG2-CD2 4.32Å; L91-Y98 HydrophobicContact CD2-CD1 4.11Å; L91-Y98 HydrophobicContact CD2-CE1 3.74Å; Y98-Y186 AromaticContact CD1-CE1 3.88Å; Y98-Y186 HydrophobicContact CD1-CE1 3.88Å; Y98-Y186 AromaticContact CD1-CZ 4Å; Y98-Y186 VanDerWaalsContact CD1-OH 3.3Å; Y98-Y186 WeakPolarHBondContact CD1-OH 3.33Å; Y98-Y186 HydrophobicContact CE1-CD1 4.12Å; Y98-Y186 AromaticContact CE1-CE1 3.27Å; Y98-Y186 HydrophobicContact CE1-CE1 3.27Å; Y98-Y186 AromaticContact CE1-CZ 3.85Å; Y98-Y186 AromaticContact CZ-CE1 3.81Å; Y98-Y186 PolarHBondContact N-OH 3.39Å; Y98-D189 VanDerWaalsContact OH-CB 3.27Å; Y98-D189 WeakPolarHBondContact OH-CB 3.48Å
99V84.4Confident78.6Confident1 Ų140.7 Ų40.71%0.00620%0.202CC..EExtended strand (participates in β ladder)trans-128.9128.1-177.6-179.60000109.9I76 Y77 L78 T79 F103 L108 R111I76-V99 HydrophobicContact CG2-CG2 3.91Å; Y77-V99 PolarHBondContact O-N 3.13Å; L78-V99 WeakPolarHBondContact CA-O 3.3Å; L78-V99 HydrophobicContact CD2-CB 4Å; T79-V99 PolarHBondContact N-O 3.29Å; V99-F103 HydrophobicContact CG1-CB 3.46Å; V99-F103 VanDerWaalsContact CG1-CB 3.46Å; V99-F103 HydrophobicContact CG1-CD1 3.7Å; V99-F103 HydrophobicContact CG1-CD2 4.2Å; V99-F103 HydrophobicContact CG1-CG 3.52Å; V99-L108 HydrophobicContact CG2-CD1 3.88Å; V99-R111 VanDerWaalsContact CG2-CD 3.46Å
100K82.7Confident79.9Confident69 Ų6939.3 Ų39.330%0.320%0.202SC..EExtended strand (participates in β ladder)trans-80.4131-180-68.3-177.9176.5-176.80111T79 K81 P102 F103 E188T79-K100 HydrophobicContact CG2-CG 3.92Å; T79-K100 CarbonylContact O-C 3.57Å; T79-K100 VanDerWaalsContact O-CA 3.25Å; T79-K100 WeakPolarHBondContact O-CA 3.47Å; K81-K100 HydrophobicContact CG-CB 4.32Å; K81-K100 HydrophobicContact CG-CD 4.32Å; K100-P102 CarbonylContact O-C 3.57Å; K100-F103 WeakPolarHBondContact O-CB 3.48Å; K100-E188 IonicContact NZ-OE2 3.47Å; K100-E188 PolarHBondContact NZ-OE2 3.1Å
101K84.5Confident81.3Confident28 Ų2840.4 Ų40.412%0.12221%0.206CC..EExtended strand (participates in β ladder)trans-76.5140.1167.6-71.8-177.9176.1-171.20110.6D8 E10 I13 D51 T79 F103D8-K101 VanDerWaalsContact CG-NZ 3.31Å; D8-K101 IonicContact OD1-NZ 2.62Å; D8-K101 PolarHBondContact OD1-NZ 3.48Å; D8-K101 VanDerWaalsContact OD1-NZ 3.15Å; D8-K101 WeakPolarHBondContact OD2-CE 3.41Å; D8-K101 IonicContact OD2-NZ 2.65Å; D8-K101 PolarHBondContact OD2-NZ 3.09Å; E10-K101 IonicContact OE1-NZ 2.73Å; E10-K101 PolarHBondContact OE1-NZ 3.22Å; I13-K101 HydrophobicContact CD1-CD 4.17Å; D51-K101 IonicContact OD2-NZ 2.95Å; D51-K101 PolarHBondContact OD2-NZ 2.63Å; T79-K101 PolarHBondContact O-N 3.45Å; K101-F103 HydrophobicContact CG-CD1 3.89Å; K101-F103 HydrophobicContact CG-CE1 3.68Å
102P86.2Confident82.8Confident120 Ų12040.2 Ų40.278%0.77921%0.205SC*.SBendcis-75.7143.3-8.632.5-34.3000111.4K100K100-P102 CarbonylContact O-C 3.57Å
103F87Confident84.1Confident36 Ų3639.1 Ų39.116%0.15820%0.196CC..  trans-126164.7176.556.7-93.1000111.1I13 L78 V99 K100 K101 L108I13-F103 HydrophobicContact CG2-CZ 4.19Å; L78-F103 HydrophobicContact CB-CE1 4.39Å; L78-F103 HydrophobicContact CD1-CE1 3.89Å; L78-F103 HydrophobicContact CD1-CZ 3.75Å; L78-F103 HydrophobicContact CD2-CD1 4.36Å; L78-F103 HydrophobicContact CD2-CE1 3.63Å; L78-F103 HydrophobicContact CD2-CZ 3.76Å; L78-F103 HydrophobicContact CG-CE1 4.17Å; L78-F103 HydrophobicContact CG-CZ 4.34Å; V99-F103 HydrophobicContact CG1-CB 3.46Å; V99-F103 VanDerWaalsContact CG1-CB 3.46Å; V99-F103 HydrophobicContact CG1-CD1 3.7Å; V99-F103 HydrophobicContact CG1-CD2 4.2Å; V99-F103 HydrophobicContact CG1-CG 3.52Å; K100-F103 WeakPolarHBondContact O-CB 3.48Å; K101-F103 HydrophobicContact CG-CD1 3.89Å; K101-F103 HydrophobicContact CG-CE1 3.68Å; F103-L108 HydrophobicContact CD2-CB 4.22Å; F103-L108 HydrophobicContact CE2-CB 4.19Å; F103-L108 HydrophobicContact CE2-CD2 3.78Å; F103-L108 HydrophobicContact CZ-CD2 4.21Å
104S89.2Confident84.8Confident57 Ų5741.1 Ų41.140%0.39921%0.207SC..  trans-84.8130.7169.2177.90000110.1R106 E107 L108S104-R106 PolarHBondContact O-N 2.85Å; S104-R106 VanDerWaalsContact O-N 3.11Å; S104-R106 PolarHBondContact OG-N 3.19Å; S104-E107 WeakPolarHBondContact O-CA 3.45Å; S104-E107 VanDerWaalsContact O-CB 3.26Å; S104-E107 WeakPolarHBondContact O-CB 3.3Å; S104-E107 PolarHBondContact O-N 3.49Å; S104-L108 PolarHBondContact O-N 3.48Å
105P90.1Very high85.4Confident21 Ų2141.6 Ų41.614%0.13621%0.209CC..Hα-helixtrans-53.3-33.9173.3-27.935.4000112.7I16 Y20 E107 L108 V109I16-P105 HydrophobicContact CG1-CG 3.86Å; I16-P105 HydrophobicContact CG2-CG 4.08Å; Y20-P105 HydrophobicContact CD1-CB 3.99Å; Y20-P105 HydrophobicContact CD2-CB 3.83Å; Y20-P105 HydrophobicContact CD2-CG 4.43Å; Y20-P105 HydrophobicContact CE1-CB 4.33Å; Y20-P105 HydrophobicContact CE2-CB 4.17Å; Y20-P105 HydrophobicContact CE2-CG 4.42Å; Y20-P105 HydrophobicContact CG-CB 3.71Å; P105-E107 VanDerWaalsContact C-N 3.34Å; P105-E107 PolarHBondContact O-N 2.92Å; P105-L108 PolarHBondContact O-N 3.3Å; P105-V109 WeakPolarHBondContact O-CG2 3.32Å; P105-V109 PolarHBondContact O-N 3.48Å
106R89.7Confident85.7Confident173 Ų17342.3 Ų42.365%0.65321%0.213SC*.Hα-helixtrans-64.7-35.9174.4-171.5178.8179.6-176.10.3112.9Y20 S104 L110Y20-R106 HydrophobicContact CD1-CB 4.48Å; Y20-R106 HydrophobicContact CE1-CB 4.22Å; S104-R106 PolarHBondContact O-N 2.85Å; S104-R106 VanDerWaalsContact O-N 3.11Å; S104-R106 PolarHBondContact OG-N 3.19Å; R106-L110 VanDerWaalsContact O-CG 3.31Å; R106-L110 WeakPolarHBondContact O-CG 3.35Å; R106-L110 PolarHBondContact O-N 3.46Å; R106-L110 VanDerWaalsContact O-N 3.09Å
107E88.6Confident85.5Confident74 Ų7445.1 Ų45.135%0.34623%0.23SC..Hα-helixtrans-64.4-44.6174-174.3-170.2160.700110.4S104 P105 V109 L110 R111S104-E107 WeakPolarHBondContact O-CA 3.45Å; S104-E107 VanDerWaalsContact O-CB 3.26Å; S104-E107 WeakPolarHBondContact O-CB 3.3Å; S104-E107 PolarHBondContact O-N 3.49Å; P105-E107 VanDerWaalsContact C-N 3.34Å; P105-E107 PolarHBondContact O-N 2.92Å; E107-V109 PolarHBondContact O-N 3.24Å; E107-L110 PolarHBondContact O-N 3.21Å; E107-L110 VanDerWaalsContact O-N 3.16Å; E107-R111 WeakPolarHBondContact O-CG 3.28Å; E107-R111 PolarHBondContact O-N 3.47Å; E107-R111 IonicContact OE1-CZ 3.15Å; E107-R111 IonicContact OE1-NE 3.61Å; E107-R111 PolarHBondContact OE1-NE 3.47Å; E107-R111 IonicContact OE1-NH2 3.98Å; E107-R111 PolarHBondContact OE1-NH2 3.25Å
108L91.8Very high85Confident0 Ų047.7 Ų47.70%024%0.239CC..Hα-helixtrans-61.8-43.5178.6-176.461.4000111.7F21 V49 I76 L78 V99 F103 S104 P105 L110 R111 I112F21-L108 HydrophobicContact CE2-CD2 3.9Å; F21-L108 HydrophobicContact CE2-CG 3.98Å; F21-L108 HydrophobicContact CZ-CD2 4.35Å; F21-L108 HydrophobicContact CZ-CG 3.93Å; V49-L108 HydrophobicContact CG1-CD2 4.04Å; V49-L108 HydrophobicContact CG2-CD1 4.23Å; V49-L108 HydrophobicContact CG2-CD2 4.25Å; I76-L108 HydrophobicContact CG2-CD1 4.29Å; L78-L108 HydrophobicContact CD2-CD1 4.31Å; L78-L108 HydrophobicContact CD2-CD2 4.38Å; V99-L108 HydrophobicContact CG2-CD1 3.88Å; F103-L108 HydrophobicContact CD2-CB 4.22Å; F103-L108 HydrophobicContact CE2-CB 4.19Å; F103-L108 HydrophobicContact CE2-CD2 3.78Å; F103-L108 HydrophobicContact CZ-CD2 4.21Å; S104-L108 PolarHBondContact O-N 3.48Å; P105-L108 PolarHBondContact O-N 3.3Å; L108-L110 VanDerWaalsContact C-N 3.35Å; L108-L110 PolarHBondContact O-N 2.78Å; L108-R111 PolarHBondContact O-N 3.17Å; L108-I112 WeakPolarHBondContact O-CG1 3.36Å; L108-I112 PolarHBondContact O-N 2.8Å
109V92Very high84.1Confident5 Ų549.2 Ų49.23%0.0325%0.248CC..Hα-helixtrans-55.1-48.9171.6165.80000111.5F21 E24 P105 E107 R111 I112 N113F21-V109 HydrophobicContact CD1-CG2 3.89Å; F21-V109 HydrophobicContact CD2-CG2 4.29Å; F21-V109 HydrophobicContact CE1-CB 4.17Å; F21-V109 HydrophobicContact CE1-CG2 3.65Å; F21-V109 HydrophobicContact CE2-CG2 4.07Å; F21-V109 HydrophobicContact CG-CG2 4.19Å; F21-V109 HydrophobicContact CZ-CB 4.3Å; F21-V109 HydrophobicContact CZ-CG2 3.72Å; E24-V109 HydrophobicContact CB-CG1 4.46Å; E24-V109 HydrophobicContact CG-CG1 3.68Å; E24-V109 HydrophobicContact CG-CG2 4.38Å; P105-V109 WeakPolarHBondContact O-CG2 3.32Å; P105-V109 PolarHBondContact O-N 3.48Å; E107-V109 PolarHBondContact O-N 3.24Å; V109-R111 VanDerWaalsContact C-N 3.34Å; V109-R111 PolarHBondContact O-N 2.82Å; V109-I112 PolarHBondContact O-N 3.39Å; V109-N113 VanDerWaalsContact O-CB 3.32Å; V109-N113 WeakPolarHBondContact O-CB 3.49Å; V109-N113 PolarHBondContact O-N 2.71Å
110L87.2Confident83Confident92 Ų9256.2 Ų56.248%0.48228%0.278SS..Hα-helixtrans-63.1-40.2-178.9-73.9169.9000112R106 E107 L108 N113 N114R106-L110 VanDerWaalsContact O-CG 3.31Å; R106-L110 WeakPolarHBondContact O-CG 3.35Å; R106-L110 PolarHBondContact O-N 3.46Å; R106-L110 VanDerWaalsContact O-N 3.09Å; E107-L110 PolarHBondContact O-N 3.21Å; E107-L110 VanDerWaalsContact O-N 3.16Å; L108-L110 VanDerWaalsContact C-N 3.35Å; L108-L110 PolarHBondContact O-N 2.78Å; L110-N113 PolarHBondContact O-N 3.16Å; L110-N114 VanDerWaalsContact O-CB 3.3Å; L110-N114 WeakPolarHBondContact O-CB 3.48Å; L110-N114 PolarHBondContact O-N 3.34Å; L110-N114 PolarHBondContact O-ND2 3.18Å
111R85.4Confident81.5Confident28 Ų2860.7 Ų60.711%0.10630%0.297CS..Hα-helixtrans-63.6-47.6176.4-72.8178.6-178.7-86.3-1111.8D97 V99 E107 L108 V109 N114 L115D97-R111 IonicContact OD1-NH1 2.63Å; D97-R111 IonicContact OD2-NH1 2.74Å; V99-R111 VanDerWaalsContact CG2-CD 3.46Å; E107-R111 WeakPolarHBondContact O-CG 3.28Å; E107-R111 PolarHBondContact O-N 3.47Å; E107-R111 IonicContact OE1-CZ 3.15Å; E107-R111 IonicContact OE1-NE 3.61Å; E107-R111 PolarHBondContact OE1-NE 3.47Å; E107-R111 IonicContact OE1-NH2 3.98Å; E107-R111 PolarHBondContact OE1-NH2 3.25Å; L108-R111 PolarHBondContact O-N 3.17Å; V109-R111 VanDerWaalsContact C-N 3.34Å; V109-R111 PolarHBondContact O-N 2.82Å; R111-N114 PolarHBondContact O-N 2.94Å; R111-L115 WeakPolarHBondContact O-CB 3.15Å; R111-L115 PolarHBondContact O-N 3.28Å
112I89.9Confident79.8Confident0 Ų060.8 Ų60.80%030%0.297CS..Hα-helixtrans-61.8-47.5176.3-70-172.8000111.1L4 F21 Y26 I47 V49 I76 L108 V109 N114 L115 L116L4-I112 HydrophobicContact CD1-CD1 4.01Å; L4-I112 HydrophobicContact CD2-CD1 4.33Å; F21-I112 HydrophobicContact CE1-CB 4.13Å; F21-I112 HydrophobicContact CE1-CD1 3.7Å; F21-I112 HydrophobicContact CE1-CG1 4.35Å; F21-I112 HydrophobicContact CE1-CG2 4.29Å; F21-I112 HydrophobicContact CE2-CD1 4.31Å; F21-I112 HydrophobicContact CZ-CB 4.38Å; F21-I112 HydrophobicContact CZ-CD1 3.4Å; F21-I112 HydrophobicContact CZ-CG1 4.16Å; Y26-I112 HydrophobicContact CE1-CG2 4.03Å; I47-I112 HydrophobicContact CD1-CB 4.29Å; I47-I112 HydrophobicContact CD1-CD1 4.16Å; I47-I112 HydrophobicContact CD1-CG1 3.89Å; I47-I112 HydrophobicContact CD1-CG2 3.83Å; I47-I112 HydrophobicContact CG2-CG2 4.28Å; V49-I112 HydrophobicContact CG2-CD1 3.53Å; I76-I112 HydrophobicContact CD1-CD1 4.26Å; I76-I112 HydrophobicContact CD1-CG1 3.48Å; I76-I112 VanDerWaalsContact CD1-CG1 3.48Å; L108-I112 WeakPolarHBondContact O-CG1 3.36Å; L108-I112 PolarHBondContact O-N 2.8Å; V109-I112 PolarHBondContact O-N 3.39Å; I112-N114 VanDerWaalsContact C-N 3.26Å; I112-N114 PolarHBondContact O-N 3.17Å; I112-L115 PolarHBondContact O-N 3.33Å; I112-L115 VanDerWaalsContact O-N 3.16Å; I112-L116 HydrophobicContact CG2-CD1 3.59Å; I112-L116 HydrophobicContact CG2-CG 4.17Å; I112-L116 WeakPolarHBondContact O-CB 3.39Å; I112-L116 WeakPolarHBondContact O-CG 3.37Å; I112-L116 PolarHBondContact O-N 2.91Å
113N87.3Confident78Confident43 Ų4359.3 Ų59.323%0.2328%0.279CS..Hα-helixtrans-57.9-40.6176.2-81.1-23.7000111.5Y26 V109 L110 T117Y26-N113 PolarHBondContact OH-OD1 3.38Å; V109-N113 VanDerWaalsContact O-CB 3.32Å; V109-N113 WeakPolarHBondContact O-CB 3.49Å; V109-N113 PolarHBondContact O-N 2.71Å; L110-N113 PolarHBondContact O-N 3.16Å; N113-T117 WeakPolarHBondContact O-CA 3.2Å; N113-T117 WeakPolarHBondContact O-CB 3.22Å; N113-T117 PolarHBondContact O-N 2.95Å; N113-T117 PolarHBondContact O-OG1 3.38Å
114N80.3Confident76.1Confident73 Ų7365.9 Ų65.939%0.3931%0.311SS..Hα-helixtrans-66.3-43.3176.5-79.4-26.8000112L110 R111 I112 R118L110-N114 VanDerWaalsContact O-CB 3.3Å; L110-N114 WeakPolarHBondContact O-CB 3.48Å; L110-N114 PolarHBondContact O-N 3.34Å; L110-N114 PolarHBondContact O-ND2 3.18Å; R111-N114 PolarHBondContact O-N 2.94Å; I112-N114 VanDerWaalsContact C-N 3.26Å; I112-N114 PolarHBondContact O-N 3.17Å; N114-R118 WeakPolarHBondContact O-CB 3.18Å; N114-R118 WeakPolarHBondContact O-CG 3.35Å; N114-R118 PolarHBondContact O-N 3.16Å
115L80.4Confident74.4Confident9 Ų967 Ų675%0.04731%0.309CS..Hα-helixtrans-59.5-51.9176.2-171.7158.8000110.5I47 P74 I76 D96 D97 R111 I112 R118 M119I47-L115 HydrophobicContact CD1-CD1 4.33Å; I47-L115 HydrophobicContact CD1-CD2 4.15Å; P74-L115 HydrophobicContact CB-CD2 4.18Å; I76-L115 HydrophobicContact CD1-CD1 4.35Å; I76-L115 HydrophobicContact CG1-CD1 4.37Å; D96-L115 HydrophobicContact CB-CD1 3.76Å; D97-L115 HydrophobicContact CB-CD1 4.4Å; R111-L115 WeakPolarHBondContact O-CB 3.15Å; R111-L115 PolarHBondContact O-N 3.28Å; I112-L115 PolarHBondContact O-N 3.33Å; I112-L115 VanDerWaalsContact O-N 3.16Å; L115-R118 PolarHBondContact O-N 3.41Å; L115-M119 HydrophobicContact CD2-SD 3.9Å; L115-M119 WeakPolarHBondContact O-CG 3.34Å; L115-M119 PolarHBondContact O-N 3.33Å
116L82.3Confident72.9Confident20 Ų2072.4 Ų72.411%0.10534%0.344CS..Hα-helixtrans-70.5-35.5-179.3-63.8173.4000113.3T2 Y26 I112 R118 M119 K120T2-L116 HydrophobicContact CG2-CD1 3.76Å; Y26-L116 HydrophobicContact CE1-CD1 3.91Å; Y26-L116 WeakPolarHBondContact OH-CD1 3.48Å; I112-L116 HydrophobicContact CG2-CD1 3.59Å; I112-L116 HydrophobicContact CG2-CG 4.17Å; I112-L116 WeakPolarHBondContact O-CB 3.39Å; I112-L116 WeakPolarHBondContact O-CG 3.37Å; I112-L116 PolarHBondContact O-N 2.91Å; L116-R118 VanDerWaalsContact C-N 3.34Å; L116-M119 HydrophobicContact CD2-SD 3.88Å; L116-M119 WeakPolarHBondContact O-CB 3.45Å; L116-M119 PolarHBondContact O-N 3.14Å; L116-K120 PolarHBondContact O-N 3.01Å
117T75.4Confident71.7Confident62 Ų6267.5 Ų67.538%0.3833%0.334SS..Hα-helixtrans-69-36.3177.2-610000110.6N113 M119 K120 K121N113-T117 WeakPolarHBondContact O-CA 3.2Å; N113-T117 WeakPolarHBondContact O-CB 3.22Å; N113-T117 PolarHBondContact O-N 2.95Å; N113-T117 PolarHBondContact O-OG1 3.38Å; T117-M119 VanDerWaalsContact C-N 3.3Å; T117-M119 PolarHBondContact O-N 3.3Å; T117-K120 CarbonylContact O-C 3.58Å; T117-K120 WeakPolarHBondContact O-CA 3.4Å; T117-K120 PolarHBondContact O-N 3.3Å; T117-K121 HydrophobicContact CG2-CD 4.22Å; T117-K121 HydrophobicContact CG2-CG 4.34Å; T117-K121 WeakPolarHBondContact O-CB 3.21Å; T117-K121 PolarHBondContact O-N 2.62Å
118R67.7Low71.5Confident66 Ų6669.2 Ų69.225%0.24934%0.341CS..Hα-helixtrans-62.7-39.5174.5-74.8173.8-167.6-173.714.9111.3N114 L115 L116 K120 K121 Y122 V181 W182N114-R118 WeakPolarHBondContact O-CB 3.18Å; N114-R118 WeakPolarHBondContact O-CG 3.35Å; N114-R118 PolarHBondContact O-N 3.16Å; L115-R118 PolarHBondContact O-N 3.41Å; L116-R118 VanDerWaalsContact C-N 3.34Å; R118-K120 PolarHBondContact O-N 3.38Å; R118-K120 VanDerWaalsContact O-N 3.13Å; R118-K121 PolarHBondContact O-N 3.45Å; R118-Y122 WeakPolarHBondContact O-CD2 2.99Å; R118-Y122 PolarHBondContact O-N 3.31Å; R118-V181 PolarHBondContact NH1-O 3.4Å; R118-V181 VanDerWaalsContact NH1-O 3.16Å; R118-W182 PolarHBondContact NH1-O 2.98Å; R118-W182 PolarHBondContact NH2-O 2.88Å
119M64.5Low71.5Confident57 Ų5774.1 Ų74.128%0.28136%0.364SS..Hα-helixtrans-54.1-34.3171.6-64.5168.660.800112.5L115 L116 T117 I155L115-M119 HydrophobicContact CD2-SD 3.9Å; L115-M119 WeakPolarHBondContact O-CG 3.34Å; L115-M119 PolarHBondContact O-N 3.33Å; L116-M119 HydrophobicContact CD2-SD 3.88Å; L116-M119 WeakPolarHBondContact O-CB 3.45Å; L116-M119 PolarHBondContact O-N 3.14Å; T117-M119 VanDerWaalsContact C-N 3.3Å; T117-M119 PolarHBondContact O-N 3.3Å; M119-I155 HydrophobicContact CE-CD1 3.27Å; M119-I155 HydrophobicContact CE-CG1 3.92Å; M119-I155 HydrophobicContact CG-CB 4.48Å; M119-I155 HydrophobicContact CG-CD1 4.22Å; M119-I155 HydrophobicContact CG-CG1 4.11Å; M119-I155 HydrophobicContact CG-CG2 3.72Å; M119-I155 HydrophobicContact SD-CD1 3.66Å; M119-I155 HydrophobicContact SD-CG1 4.22Å
120K60.4Low71.6Confident148 Ų14875.1 Ų75.164%0.64337%0.369SS*.Hα-helixtrans-87.1-38.6175.8-62.8-179.9-177.7175.10114.4L116 T117 R118 Y122 H123L116-K120 PolarHBondContact O-N 3.01Å; T117-K120 CarbonylContact O-C 3.58Å; T117-K120 WeakPolarHBondContact O-CA 3.4Å; T117-K120 PolarHBondContact O-N 3.3Å; R118-K120 PolarHBondContact O-N 3.38Å; R118-K120 VanDerWaalsContact O-N 3.13Å; K120-Y122 PolarHBondContact O-N 3.36Å; K120-H123 WeakPolarHBondContact O-CB 3.35Å; K120-H123 PolarHBondContact O-CD2 3.13Å; K120-H123 PolarHBondContact O-N 2.82Å
121K51Low72Confident162 Ų16274 Ų7470%0.70437%0.369SS*.Hα-helixtrans-74.2-24.1-170.4-109.2-174.6179.8178.60113.9T117 R118 H123 H124T117-K121 HydrophobicContact CG2-CD 4.22Å; T117-K121 HydrophobicContact CG2-CG 4.34Å; T117-K121 WeakPolarHBondContact O-CB 3.21Å; T117-K121 PolarHBondContact O-N 2.62Å; R118-K121 PolarHBondContact O-N 3.45Å; K121-H123 PolarHBondContact O-N 2.82Å; K121-H124 PolarHBondContact O-N 2.98Å
122Y50Low72.4Confident31 Ų3173.4 Ų73.412%0.12237%0.368CS..G310 helixtrans-60.8-9.3174.8-93.2-83.7000113.6R118 K120 H124 N139 K142 E159R118-Y122 WeakPolarHBondContact O-CD2 2.99Å; R118-Y122 PolarHBondContact O-N 3.31Å; K120-Y122 PolarHBondContact O-N 3.36Å; Y122-H124 PolarHBondContact O-N 2.61Å; Y122-H124 VanDerWaalsContact O-N 3.11Å; Y122-N139 VanDerWaalsContact CD1-OD1 3.32Å; Y122-N139 WeakPolarHBondContact CD1-OD1 3.47Å; Y122-N139 PolarHBondContact O-ND2 3.09Å; Y122-K142 VanDerWaalsContact CB-CE 3.47Å; Y122-E159 HydrophobicContact CD2-CG 4.43Å; Y122-E159 HydrophobicContact CE2-CG 3.95Å; Y122-E159 VanDerWaalsContact CE2-OE1 3.28Å; Y122-E159 WeakPolarHBondContact CE2-OE1 3.47Å
123H48.7Very low72.6Confident88 Ų8877.9 Ų77.941%0.40739%0.391SS..G310 helixtrans-62.5-10.6174.3-75.9-63.4000115.9K120 K121 L140K120-H123 WeakPolarHBondContact O-CB 3.35Å; K120-H123 PolarHBondContact O-CD2 3.13Å; K120-H123 PolarHBondContact O-N 2.82Å; K121-H123 PolarHBondContact O-N 2.82Å; H123-L140 HydrophobicContact CB-CD2 3.92Å; H123-L140 PolarHBondContact CE1-O 3.46Å; H123-L140 WeakPolarHBondContact ND1-CD2 3.33Å; H123-L140 PolarHBondContact ND1-O 3.33Å; H123-L140 WeakPolarHBondContact O-CD2 3.49Å
124H47Very low73Confident175 Ų17579.1 Ų79.181%0.8140%0.396SS*.G310 helixtrans-11419.5-172-75.254.2000115.4K121 Y122K121-H124 PolarHBondContact O-N 2.98Å; Y122-H124 PolarHBondContact O-N 2.61Å; Y122-H124 VanDerWaalsContact O-N 3.11Å
125Q53.7Low73.8Confident80 Ų8075.7 Ų75.737%0.37438%0.377SS..  trans-80137.5168.3-68.4-170.2-100110V127Q125-V127 PolarHBondContact O-N 3.33Å; Q125-V127 VanDerWaalsContact O-N 3.17Å
126P58.5Low74.5Confident134 Ų13476.4 Ų76.487%0.8738%0.382SS*.SBendtrans-63.4-22.5-179.324.9-33.4000112.8
127V64.6Low75.2Confident71 Ų7175.4 Ų75.443%0.4338%0.377SS..  trans-92106.1171.1-175.10000107.8Q125 Q129 L130 W162Q125-V127 PolarHBondContact O-N 3.33Å; Q125-V127 VanDerWaalsContact O-N 3.17Å; V127-Q129 WeakPolarHBondContact CG1-O 3.18Å; V127-L130 HydrophobicContact CG1-CD2 3.74Å; V127-L130 HydrophobicContact CG1-CG 4.33Å; V127-W162 HydrophobicContact CG1-CH2 4.17Å; V127-W162 HydrophobicContact CG1-CZ2 4.4Å; V127-W162 WeakPolarHBondContact O-CH2 3.1Å; V127-W162 VanDerWaalsContact O-CZ2 3.3Å; V127-W162 WeakPolarHBondContact O-CZ2 3.39Å
128E83.7Confident75.9Confident109 Ų10974.8 Ų74.851%0.50937%0.371SS..  trans-88.3-21.4-179.5-63.5-176.7170.300112.3N139 L140E128-N139 PolarHBondContact O-N 3.07Å; E128-L140 HydrophobicContact CB-CD1 4.25Å; E128-L140 HydrophobicContact CB-CG 4.48Å; E128-L140 HydrophobicContact CG-CD1 4.1Å; E128-L140 HydrophobicContact CG-CG 4.37Å
129Q91.4Very high76.9Confident103 Ų10371.7 Ų71.748%0.48136%0.36SS..EExtended strand (participates in β ladder)trans-144.4140.3-176.3-171.7179.3-60.200111.6V127 S131 T136 L137 I138V127-Q129 WeakPolarHBondContact CG1-O 3.18Å; Q129-S131 PolarHBondContact NE2-OG 2.92Å; Q129-S131 VanDerWaalsContact NE2-OG 3.1Å; Q129-T136 VanDerWaalsContact CD-CG2 3.43Å; Q129-T136 HydrophobicContact CG-CG2 3.52Å; Q129-L137 VanDerWaalsContact CA-O 3.23Å; Q129-L137 WeakPolarHBondContact CA-O 3.31Å; Q129-L137 WeakPolarHBondContact CG-O 3.48Å; Q129-I138 HydrophobicContact CG-CG1 4.36Å
130L94.3Very high77.7Confident26 Ų2671.9 Ų71.914%0.13636%0.361CS..EExtended strand (participates in β ladder)trans-116.6139.4166-62171000108.8V127 F132 T136 L137 W162 A165V127-L130 HydrophobicContact CG1-CD2 3.74Å; V127-L130 HydrophobicContact CG1-CG 4.33Å; L130-F132 HydrophobicContact CB-CD2 4.49Å; L130-F132 HydrophobicContact CB-CE2 3.65Å; L130-F132 HydrophobicContact CB-CZ 4.21Å; L130-F132 HydrophobicContact CD1-CE2 4.34Å; L130-T136 CarbonylContact O-C 3.5Å; L130-T136 WeakPolarHBondContact O-CA 3.07Å; L130-L137 PolarHBondContact N-O 3.13Å; L130-L137 PolarHBondContact O-N 3.42Å; L130-W162 HydrophobicContact CB-CZ3 4.19Å; L130-W162 HydrophobicContact CD1-CD2 4.19Å; L130-W162 HydrophobicContact CD1-CE3 3.9Å; L130-W162 HydrophobicContact CD1-CH2 4.04Å; L130-W162 HydrophobicContact CD1-CZ2 4.35Å; L130-W162 HydrophobicContact CD1-CZ3 3.82Å; L130-W162 HydrophobicContact CG-CE3 4.27Å; L130-W162 HydrophobicContact CG-CH2 3.7Å; L130-W162 HydrophobicContact CG-CZ2 4.36Å; L130-W162 HydrophobicContact CG-CZ3 3.67Å; L130-A165 HydrophobicContact CD1-CB 4.06Å
131S94.7Very high78.9Confident69 Ų6968 Ų6848%0.48335%0.353SS..EExtended strand (participates in β ladder)trans-131.5130.3178.3-66.40000110.4Q129 L135 T136Q129-S131 PolarHBondContact NE2-OG 2.92Å; Q129-S131 VanDerWaalsContact NE2-OG 3.1Å; S131-L135 CarbonylContact C-O 3.6Å; S131-L135 WeakPolarHBondContact CA-O 3.23Å; S131-T136 PolarHBondContact OG-OG1 2.95Å; S131-T136 VanDerWaalsContact OG-OG1 3.12Å
132F95.5Very high80.7Confident16 Ų1661.9 Ų61.97%0.0733%0.326CS..EExtended strand (participates in β ladder)trans-133.990.9-179.5-57.6-81.9000108.2L130 E134 L135 L137 A165 E168 Y212 F224L130-F132 HydrophobicContact CB-CD2 4.49Å; L130-F132 HydrophobicContact CB-CE2 3.65Å; L130-F132 HydrophobicContact CB-CZ 4.21Å; L130-F132 HydrophobicContact CD1-CE2 4.34Å; F132-E134 PolarHBondContact O-N 3.18Å; F132-L135 HydrophobicContact CB-CB 4.42Å; F132-L135 HydrophobicContact CD2-CD2 4.4Å; F132-L135 PolarHBondContact N-O 3.05Å; F132-L135 WeakPolarHBondContact O-CB 3.26Å; F132-L135 PolarHBondContact O-N 3.36Å; F132-L137 HydrophobicContact CD2-CD1 4.28Å; F132-L137 HydrophobicContact CE2-CD1 4.36Å; F132-A165 HydrophobicContact CE2-CB 3.68Å; F132-A165 HydrophobicContact CZ-CB 4Å; F132-A165 VanDerWaalsContact CZ-O 3.3Å; F132-A165 WeakPolarHBondContact CZ-O 3.4Å; F132-E168 HydrophobicContact CE1-CB 4.31Å; F132-E168 HydrophobicContact CE1-CG 4.21Å; F132-Y212 HydrophobicContact CB-CD1 4.49Å; F132-Y212 HydrophobicContact CB-CD2 3.83Å; F132-Y212 HydrophobicContact CB-CE1 4.5Å; F132-Y212 HydrophobicContact CB-CE2 3.86Å; F132-Y212 HydrophobicContact CB-CG 4.17Å; F132-Y212 HydrophobicContact CD1-CD1 4.27Å; F132-Y212 AromaticContact CD1-CE1 3.81Å; F132-Y212 HydrophobicContact CD1-CE1 3.81Å; F132-Y212 HydrophobicContact CD1-CE2 4.42Å; F132-Y212 AromaticContact CD1-CZ 3.9Å; F132-Y212 HydrophobicContact CG-CE1 4.47Å; F132-F224 HydrophobicContact CB-CZ 4.46Å; F132-F224 AromaticContact CD1-CE1 3.73Å; F132-F224 HydrophobicContact CD1-CE1 3.73Å; F132-F224 HydrophobicContact CD1-CZ 4.42Å; F132-F224 AromaticContact CD2-CE1 3.81Å; F132-F224 HydrophobicContact CD2-CE1 3.81Å; F132-F224 AromaticContact CD2-CZ 3.93Å; F132-F224 HydrophobicContact CD2-CZ 3.93Å; F132-F224 HydrophobicContact CE1-CD1 4.44Å; F132-F224 AromaticContact CE1-CE1 3.75Å; F132-F224 HydrophobicContact CE1-CE1 3.75Å; F132-F224 AromaticContact CE2-CE1 3.83Å; F132-F224 HydrophobicContact CE2-CE1 3.83Å; F132-F224 HydrophobicContact CE2-CZ 4.27Å; F132-F224 AromaticContact CG-CE1 3.76Å; F132-F224 HydrophobicContact CG-CE1 3.76Å; F132-F224 HydrophobicContact CG-CZ 4.01Å; F132-F224 HydrophobicContact CZ-CD1 4.42Å; F132-F224 AromaticContact CZ-CE1 3.81Å; F132-F224 HydrophobicContact CZ-CE1 3.81Å
133D93.8Very high82.6Confident93 Ų9361.8 Ų61.850%0.49733%0.329SS..THydrogen-bonded Turntrans50.2-110.6-171.3-62.7-24.4000111T211 R226D133-T211 HydrophobicContact CB-CG2 4.26Å; D133-T211 WeakPolarHBondContact OD2-CG2 3.29Å; D133-R226 IonicContact OD2-NH2 3.4Å; D133-R226 PolarHBondContact OD2-NH2 3.39Å
134E94.2Very high84.9Confident70 Ų7057.6 Ų57.633%0.32731%0.31SS..THydrogen-bonded Turntrans-78.5-17.3-178.5-54.177.3-167.200114.1F132 V146 N147 F209 T211F132-E134 PolarHBondContact O-N 3.18Å; E134-V146 CarbonylContact O-C 3.56Å; E134-V146 WeakPolarHBondContact O-CA 3.36Å; E134-N147 WeakPolarHBondContact CB-OD1 3.49Å; E134-N147 WeakPolarHBondContact CG-OD1 3.38Å; E134-N147 PolarHBondContact O-N 2.86Å; E134-F209 HydrophobicContact CB-CD2 4.14Å; E134-F209 HydrophobicContact CB-CE2 4.21Å; E134-T211 PolarHBondContact OE2-OG1 3.14Å; E134-T211 VanDerWaalsContact OE2-OG1 3.06Å
135L97.4Very high87.2Confident0 Ų050.4 Ų50.40%028%0.278CS..EExtended strand (participates in β ladder)trans-89.1129.7-177.1175.669.2000110.5S131 F132 L137 V144 T145 V146 L204 F209 F224S131-L135 CarbonylContact C-O 3.6Å; S131-L135 WeakPolarHBondContact CA-O 3.23Å; F132-L135 HydrophobicContact CB-CB 4.42Å; F132-L135 HydrophobicContact CD2-CD2 4.4Å; F132-L135 PolarHBondContact N-O 3.05Å; F132-L135 WeakPolarHBondContact O-CB 3.26Å; F132-L135 PolarHBondContact O-N 3.36Å; L135-L137 HydrophobicContact CD1-CD1 4.25Å; L135-L137 HydrophobicContact CD2-CD1 3.92Å; L135-L137 HydrophobicContact CG-CD1 3.78Å; L135-V144 HydrophobicContact CD1-CG1 3.44Å; L135-V144 VanDerWaalsContact CD1-CG1 3.44Å; L135-T145 CarbonylContact C-O 3.58Å; L135-T145 WeakPolarHBondContact CA-O 3.31Å; L135-V146 HydrophobicContact CD1-CG2 3.91Å; L135-L204 HydrophobicContact CD1-CD2 3.88Å; L135-F209 HydrophobicContact CB-CD1 4.36Å; L135-F209 HydrophobicContact CB-CD2 4.16Å; L135-F209 HydrophobicContact CB-CE1 3.75Å; L135-F209 HydrophobicContact CB-CE2 3.52Å; L135-F209 HydrophobicContact CB-CZ 3.28Å; L135-F209 HydrophobicContact CD2-CD1 4.4Å; L135-F209 HydrophobicContact CD2-CE1 3.61Å; L135-F209 HydrophobicContact CD2-CZ 3.88Å; L135-F209 HydrophobicContact CG-CE1 4.2Å; L135-F209 HydrophobicContact CG-CZ 4.17Å; L135-F224 HydrophobicContact CD2-CE2 4.22Å; L135-F224 HydrophobicContact CD2-CZ 3.95Å
136T96.4Very high89.2Confident24 Ų2446.7 Ų46.715%0.14726%0.261CS..EExtended strand (participates in β ladder)trans-130.9134.9172.1-68.40000110.2Q129 L130 S131 I138 V144 T145Q129-T136 VanDerWaalsContact CD-CG2 3.43Å; Q129-T136 HydrophobicContact CG-CG2 3.52Å; L130-T136 CarbonylContact O-C 3.5Å; L130-T136 WeakPolarHBondContact O-CA 3.07Å; S131-T136 PolarHBondContact OG-OG1 2.95Å; S131-T136 VanDerWaalsContact OG-OG1 3.12Å; T136-I138 HydrophobicContact CG2-CG1 4.12Å; T136-V144 CarbonylContact O-C 3.59Å; T136-V144 WeakPolarHBondContact O-CA 2.83Å; T136-T145 WeakPolarHBondContact CB-OG1 3.47Å; T136-T145 PolarHBondContact N-O 3.09Å; T136-T145 PolarHBondContact O-N 2.67Å
137L96.3Very high90.9Very high0 Ų045.1 Ų45.10%025%0.245CC..EExtended strand (participates in β ladder)trans-115.9127.9174.3-62.172.9000108Q129 L130 F132 L135 V144 F158 L161 W162 A165Q129-L137 VanDerWaalsContact CA-O 3.23Å; Q129-L137 WeakPolarHBondContact CA-O 3.31Å; Q129-L137 WeakPolarHBondContact CG-O 3.48Å; L130-L137 PolarHBondContact N-O 3.13Å; L130-L137 PolarHBondContact O-N 3.42Å; F132-L137 HydrophobicContact CD2-CD1 4.28Å; F132-L137 HydrophobicContact CE2-CD1 4.36Å; L135-L137 HydrophobicContact CD1-CD1 4.25Å; L135-L137 HydrophobicContact CD2-CD1 3.92Å; L135-L137 HydrophobicContact CG-CD1 3.78Å; L137-V144 HydrophobicContact CG-CG2 4.45Å; L137-F158 HydrophobicContact CB-CE2 4.19Å; L137-F158 HydrophobicContact CB-CZ 4.33Å; L137-L161 HydrophobicContact CD2-CB 4.48Å; L137-L161 HydrophobicContact CD2-CD2 4.12Å; L137-L161 HydrophobicContact CD2-CG 3.84Å; L137-L161 HydrophobicContact CG-CD2 4.39Å; L137-W162 HydrophobicContact CB-CE3 3.74Å; L137-W162 HydrophobicContact CB-CZ3 3.91Å; L137-W162 HydrophobicContact CD2-CB 4.27Å; L137-W162 HydrophobicContact CD2-CE3 3.98Å; L137-A165 HydrophobicContact CD2-CB 4.18Å
138I91.2Very high92.1Very high48 Ų4844.8 Ų44.825%0.24626%0.256CS..EExtended strand (participates in β ladder)trans-112.2110.1178.3-53.9172.7000108.2Q129 T136 L140 S141 K142 V143 F158Q129-I138 HydrophobicContact CG-CG1 4.36Å; T136-I138 HydrophobicContact CG2-CG1 4.12Å; I138-L140 PolarHBondContact O-N 3.03Å; I138-S141 WeakPolarHBondContact CB-OG 3.43Å; I138-S141 VanDerWaalsContact CG2-OG 3.25Å; I138-S141 WeakPolarHBondContact CG2-OG 3.47Å; I138-K142 WeakPolarHBondContact O-CA 3.49Å; I138-K142 PolarHBondContact O-N 3.01Å; I138-V143 PolarHBondContact N-O 3.25Å; I138-V143 PolarHBondContact O-N 2.81Å; I138-F158 VanDerWaalsContact O-CZ 3.28Å; I138-F158 WeakPolarHBondContact O-CZ 3.25Å
139N87.2Confident92.5Very high2 Ų245.6 Ų45.61%0.01126%0.259CS..THydrogen-bonded Turntrans-69.4-35.5-172.4-17022.4000113.4Y122 E128 K142 W162Y122-N139 VanDerWaalsContact CD1-OD1 3.32Å; Y122-N139 WeakPolarHBondContact CD1-OD1 3.47Å; Y122-N139 PolarHBondContact O-ND2 3.09Å; E128-N139 PolarHBondContact O-N 3.07Å; N139-K142 WeakPolarHBondContact O-CD 3.28Å; N139-K142 VanDerWaalsContact O-CE 3.28Å; N139-K142 WeakPolarHBondContact O-CE 3.25Å; N139-K142 PolarHBondContact OD1-NZ 2.96Å; N139-W162 HydrophobicContact CB-CD2 4.17Å; N139-W162 HydrophobicContact CB-CE3 4.03Å; N139-W162 HydrophobicContact CB-CH2 3.48Å; N139-W162 VanDerWaalsContact CB-CH2 3.48Å; N139-W162 HydrophobicContact CB-CZ2 3.59Å; N139-W162 HydrophobicContact CB-CZ3 3.69Å
140L81.6Confident92.6Very high60 Ų6046.9 Ų46.931%0.31427%0.265SS..THydrogen-bonded Turntrans-62.5-51.2179.2-71.4169.5000110.8H123 E128 I138H123-L140 HydrophobicContact CB-CD2 3.92Å; H123-L140 PolarHBondContact CE1-O 3.46Å; H123-L140 WeakPolarHBondContact ND1-CD2 3.33Å; H123-L140 PolarHBondContact ND1-O 3.33Å; H123-L140 WeakPolarHBondContact O-CD2 3.49Å; E128-L140 HydrophobicContact CB-CD1 4.25Å; E128-L140 HydrophobicContact CB-CG 4.48Å; E128-L140 HydrophobicContact CG-CD1 4.1Å; E128-L140 HydrophobicContact CG-CG 4.37Å; I138-L140 PolarHBondContact O-N 3.03Å
141S85.6Confident92.6Very high67 Ų6745.8 Ų45.847%0.46926%0.26SS..THydrogen-bonded Turntrans-90.8-6-176.354.90000114I138 V143I138-S141 WeakPolarHBondContact CB-OG 3.43Å; I138-S141 VanDerWaalsContact CG2-OG 3.25Å; I138-S141 WeakPolarHBondContact CG2-OG 3.47Å; S141-V143 PolarHBondContact O-N 3.3Å; S141-V143 WeakPolarHBondContact OG-CG2 3.37Å
142K88.2Confident92.3Very high33 Ų3346.7 Ų46.714%0.14326%0.264CS..THydrogen-bonded Turntrans57.731.7-173.8-54.3-61.4-177.9-178.70113.2Y122 I138 N139 F158Y122-K142 VanDerWaalsContact CB-CE 3.47Å; I138-K142 WeakPolarHBondContact O-CA 3.49Å; I138-K142 PolarHBondContact O-N 3.01Å; N139-K142 WeakPolarHBondContact O-CD 3.28Å; N139-K142 VanDerWaalsContact O-CE 3.28Å; N139-K142 WeakPolarHBondContact O-CE 3.25Å; N139-K142 PolarHBondContact OD1-NZ 2.96Å; K142-F158 VanDerWaalsContact C-CE2 3.46Å; K142-F158 HydrophobicContact CB-CD1 4.27Å; K142-F158 HydrophobicContact CB-CD2 4.3Å; K142-F158 HydrophobicContact CB-CG 4.15Å; K142-F158 HydrophobicContact CD-CD1 3.34Å; K142-F158 HydrophobicContact CD-CE1 3.4Å; K142-F158 HydrophobicContact CD-CG 4.06Å; K142-F158 HydrophobicContact CD-CZ 4.15Å; K142-F158 HydrophobicContact CG-CD1 4.43Å; K142-F158 VanDerWaalsContact O-CD2 3.25Å; K142-F158 WeakPolarHBondContact O-CD2 3.36Å
143V90.9Very high92.1Very high29 Ų2946.9 Ų46.918%0.17627%0.266CS..EExtended strand (participates in β ladder)trans-98.5133.8-178.1170.40000110.1I138 S141 T145 E150 F158I138-V143 PolarHBondContact N-O 3.25Å; I138-V143 PolarHBondContact O-N 2.81Å; S141-V143 PolarHBondContact O-N 3.3Å; S141-V143 WeakPolarHBondContact OG-CG2 3.37Å; V143-T145 HydrophobicContact CG1-CG2 3.82Å; V143-E150 HydrophobicContact CG1-CG 4.13Å; V143-F158 WeakPolarHBondContact O-CE2 3.39Å
144V95.9Very high91.9Very high1 Ų143 Ų431%0.00624%0.244CC..EExtended strand (participates in β ladder)trans-108.4133.7166.6-176.30000108.2L135 T136 L137 E150 V151 M153 F158 L161L135-V144 HydrophobicContact CD1-CG1 3.44Å; L135-V144 VanDerWaalsContact CD1-CG1 3.44Å; T136-V144 CarbonylContact O-C 3.59Å; T136-V144 WeakPolarHBondContact O-CA 2.83Å; L137-V144 HydrophobicContact CG-CG2 4.45Å; V144-E150 WeakPolarHBondContact O-CA 2.92Å; V144-V151 HydrophobicContact CB-CB 4.43Å; V144-V151 HydrophobicContact CG1-CB 4.37Å; V144-V151 PolarHBondContact O-N 3.1Å; V144-M153 HydrophobicContact CB-SD 4.31Å; V144-M153 HydrophobicContact CG1-CE 4.26Å; V144-M153 HydrophobicContact CG2-CE 4.44Å; V144-M153 HydrophobicContact CG2-CG 4.29Å; V144-M153 HydrophobicContact CG2-SD 3.7Å; V144-F158 HydrophobicContact CG2-CD2 3.61Å; V144-F158 HydrophobicContact CG2-CE2 4Å; V144-L161 HydrophobicContact CG1-CD2 4.45Å; V144-L161 HydrophobicContact CG2-CD2 4.32Å
145T95.4Very high91.5Very high23 Ų2341 Ų4114%0.14124%0.235CC..EExtended strand (participates in β ladder)trans-125.2141.9171.866.70000111.4L135 T136 V143 H149L135-T145 CarbonylContact C-O 3.58Å; L135-T145 WeakPolarHBondContact CA-O 3.31Å; T136-T145 WeakPolarHBondContact CB-OG1 3.47Å; T136-T145 PolarHBondContact N-O 3.09Å; T136-T145 PolarHBondContact O-N 2.67Å; V143-T145 HydrophobicContact CG1-CG2 3.82Å; T145-H149 CarbonylContact C-O 3.55Å; T145-H149 WeakPolarHBondContact CA-O 3.32Å; T145-H149 WeakPolarHBondContact CB-O 3.23Å
146V96.7Very high91Very high3 Ų341.2 Ų41.22%0.01824%0.236CC..EExtended strand (participates in β ladder)trans-118.3123.9168.3169.50000107.5E134 L135 G148 H149 V151 L204 E207 F209E134-V146 CarbonylContact O-C 3.56Å; E134-V146 WeakPolarHBondContact O-CA 3.36Å; L135-V146 HydrophobicContact CD1-CG2 3.91Å; V146-G148 PolarHBondContact O-N 3.29Å; V146-H149 PolarHBondContact N-O 3.47Å; V146-H149 WeakPolarHBondContact O-CB 3.44Å; V146-H149 PolarHBondContact O-N 3.01Å; V146-V151 HydrophobicContact CB-CG2 3.9Å; V146-V151 HydrophobicContact CG2-CG2 3.66Å; V146-L204 HydrophobicContact CG2-CD2 4.06Å; V146-E207 HydrophobicContact CB-CB 4.08Å; V146-E207 HydrophobicContact CG1-CB 3.96Å; V146-E207 HydrophobicContact CG2-CB 4.33Å; V146-F209 HydrophobicContact CG1-CB 3.81Å; V146-F209 HydrophobicContact CG1-CD2 4.31Å; V146-F209 HydrophobicContact CG1-CG 4.38Å; V146-F209 HydrophobicContact CG2-CB 3.94Å; V146-F209 HydrophobicContact CG2-CG 4.17Å
147N93Very high90.9Very high101 Ų10140.2 Ų40.254%0.5423%0.23SC..THydrogen-bonded Turntrans53.935.6-175-67.8-63.9000112.9E134 H149E134-N147 WeakPolarHBondContact CB-OD1 3.49Å; E134-N147 WeakPolarHBondContact CG-OD1 3.38Å; E134-N147 PolarHBondContact O-N 2.86Å; N147-H149 PolarHBondContact O-N 3.31Å; N147-H149 PolarHBondContact O-ND1 3.5Å; N147-H149 VanDerWaalsContact O-ND1 3.12Å
148G90.5Very high90.8Very high64 Ų6440.2 Ų40.266%0.6623%0.23SC*.THydrogen-bonded Turntrans73.3-2.2-176.300000115.5V146V146-G148 PolarHBondContact O-N 3.29Å
149H92.6Very high90.8Very high126 Ų12638 Ų3858%0.58322%0.218SC*.EExtended strand (participates in β ladder)trans-91.3131.4174.4-58.292.9000109.9T145 V146 N147 V151T145-H149 CarbonylContact C-O 3.55Å; T145-H149 WeakPolarHBondContact CA-O 3.32Å; T145-H149 WeakPolarHBondContact CB-O 3.23Å; V146-H149 PolarHBondContact N-O 3.47Å; V146-H149 WeakPolarHBondContact O-CB 3.44Å; V146-H149 PolarHBondContact O-N 3.01Å; N147-H149 PolarHBondContact O-N 3.31Å; N147-H149 PolarHBondContact O-ND1 3.5Å; N147-H149 VanDerWaalsContact O-ND1 3.12Å; H149-V151 PolarHBondContact O-N 3.46Å
150E93.9Very high91.2Very high129 Ų12937.9 Ų37.960%0.60322%0.218SC*.EExtended strand (participates in β ladder)trans-65.7130.2178-176.7172.3158.800111.3V143 V144 P152V143-E150 HydrophobicContact CG1-CG 4.13Å; V144-E150 WeakPolarHBondContact O-CA 2.92Å; E150-P152 WeakPolarHBondContact O-CD 3.41Å
151V94.5Very high92Very high4 Ų435 Ų352%0.02420%0.203CC..  trans-102.6106.8174.4-171.30000107.5V144 V146 H149 M153 K203 E207V144-V151 HydrophobicContact CB-CB 4.43Å; V144-V151 HydrophobicContact CG1-CB 4.37Å; V144-V151 PolarHBondContact O-N 3.1Å; V146-V151 HydrophobicContact CB-CG2 3.9Å; V146-V151 HydrophobicContact CG2-CG2 3.66Å; H149-V151 PolarHBondContact O-N 3.46Å; V151-M153 HydrophobicContact CG1-CE 4.26Å; V151-M153 PolarHBondContact O-N 3.04Å; V151-K203 HydrophobicContact CG1-CB 4.13Å; V151-E207 HydrophobicContact CG1-CG 4.11Å; V151-E207 HydrophobicContact CG2-CG 3.75Å
152P88.4Confident92.4Very high88 Ų8832 Ų3257%0.57118%0.181SC*.  trans-60.9113.6-176.5-24.234.2000110.9E150 K203E150-P152 WeakPolarHBondContact O-CD 3.41Å; P152-K203 WeakPolarHBondContact O-CD 3.42Å; P152-K203 WeakPolarHBondContact O-CE 3.48Å; P152-K203 PolarHBondContact O-NZ 2.94Å
153M90.9Very high92.8Very high20 Ų2031.2 Ų31.210%0.09918%0.177CC..  trans-124.7139.7177.2-74.1-161.2-175.500110.4V144 V151 E157 L161 I200 K203 L204V144-M153 HydrophobicContact CB-SD 4.31Å; V144-M153 HydrophobicContact CG1-CE 4.26Å; V144-M153 HydrophobicContact CG2-CE 4.44Å; V144-M153 HydrophobicContact CG2-CG 4.29Å; V144-M153 HydrophobicContact CG2-SD 3.7Å; V151-M153 HydrophobicContact CG1-CE 4.26Å; V151-M153 PolarHBondContact O-N 3.04Å; M153-E157 HydrophobicContact CB-CB 4.28Å; M153-E157 HydrophobicContact SD-CB 4.47Å; M153-L161 HydrophobicContact CE-CD2 3.97Å; M153-L161 HydrophobicContact SD-CD2 3.99Å; M153-I200 HydrophobicContact CE-CG2 4.22Å; M153-K203 HydrophobicContact CE-CB 4.23Å; M153-K203 HydrophobicContact CG-CD 4.04Å; M153-L204 HydrophobicContact CE-CD2 3.9Å; M153-L204 HydrophobicContact CE-CG 4.07Å
154R88.5Confident93.1Very high10 Ų1029.9 Ų29.94%0.03817%0.169CC..  trans-71.1158.7173.4-45.6-157.9-78.9131.317.5109.2D72 G94 D96 K156 E157 F158 H196D72-R154 WeakPolarHBondContact OD1-CD 3.31Å; D72-R154 WeakPolarHBondContact OD1-CG 3.43Å; D72-R154 WeakPolarHBondContact OD2-CA 3.36Å; D72-R154 WeakPolarHBondContact OD2-CG 3.33Å; G94-R154 PolarHBondContact O-NH1 3.38Å; G94-R154 PolarHBondContact O-NH2 2.97Å; D96-R154 IonicContact OD2-NH1 2.96Å; D96-R154 PolarHBondContact OD2-NH1 2.83Å; R154-K156 VanDerWaalsContact C-N 3.31Å; R154-K156 PolarHBondContact O-N 2.65Å; R154-E157 HydrophobicContact CB-CG 4.29Å; R154-E157 WeakPolarHBondContact CG-OE2 3.36Å; R154-E157 IonicContact CZ-OE1 3.64Å; R154-E157 PolarHBondContact N-OE2 2.85Å; R154-E157 IonicContact NE-OE1 2.99Å; R154-E157 PolarHBondContact NE-OE1 2.99Å; R154-E157 IonicContact NH2-OE1 3.28Å; R154-E157 PolarHBondContact NH2-OE1 2.99Å; R154-E157 WeakPolarHBondContact O-CA 3.43Å; R154-E157 WeakPolarHBondContact O-CB 3.41Å; R154-E157 PolarHBondContact O-N 2.96Å; R154-F158 PolarHBondContact O-N 3.47Å; R154-H196 PolarHBondContact NH2-NE2 3.35Å
155I85.8Confident93.2Very high29 Ų2929.9 Ų29.915%0.14917%0.17CC..Hα-helixtrans-52.6-47.7-177.4-69.3123.5000112.1P74 M119 E157 F158 E159P74-I155 HydrophobicContact CG-CD1 3.58Å; M119-I155 HydrophobicContact CE-CD1 3.27Å; M119-I155 HydrophobicContact CE-CG1 3.92Å; M119-I155 HydrophobicContact CG-CB 4.48Å; M119-I155 HydrophobicContact CG-CD1 4.22Å; M119-I155 HydrophobicContact CG-CG1 4.11Å; M119-I155 HydrophobicContact CG-CG2 3.72Å; M119-I155 HydrophobicContact SD-CD1 3.66Å; M119-I155 HydrophobicContact SD-CG1 4.22Å; I155-E157 VanDerWaalsContact C-N 3.3Å; I155-E157 PolarHBondContact O-N 2.99Å; I155-F158 WeakPolarHBondContact O-CB 3.5Å; I155-F158 PolarHBondContact O-N 2.92Å; I155-E159 HydrophobicContact CG2-CG 4.19Å; I155-E159 WeakPolarHBondContact O-CB 3.34Å; I155-E159 WeakPolarHBondContact O-CG 3.29Å; I155-E159 PolarHBondContact O-N 3.03Å
156K87.9Confident93.1Very high5 Ų531.1 Ų31.12%0.02218%0.179CC..Hα-helixtrans-67-31.2-179.7-71.7-69.9169.9-150.30113.8D96 R154 E159 L160 V181D96-K156 HydrophobicContact CB-CG 4.02Å; D96-K156 WeakPolarHBondContact OD1-CG 3.17Å; R154-K156 VanDerWaalsContact C-N 3.31Å; R154-K156 PolarHBondContact O-N 2.65Å; K156-E159 IonicContact NZ-OE2 3.36Å; K156-E159 PolarHBondContact NZ-OE2 3.28Å; K156-L160 WeakPolarHBondContact O-CB 3.27Å; K156-L160 PolarHBondContact O-N 3.45Å; K156-V181 HydrophobicContact CD-CG1 4.07Å; K156-V181 PolarHBondContact NZ-O 3.5Å
157E93.3Very high93.1Very high2 Ų234.5 Ų34.51%0.00919%0.191CC..Hα-helixtrans-68.7-43.9174.8-63.5163-174.900110.1M153 R154 I155 L161 R199 I200 K203M153-E157 HydrophobicContact CB-CB 4.28Å; M153-E157 HydrophobicContact SD-CB 4.47Å; R154-E157 HydrophobicContact CB-CG 4.29Å; R154-E157 WeakPolarHBondContact CG-OE2 3.36Å; R154-E157 IonicContact CZ-OE1 3.64Å; R154-E157 PolarHBondContact N-OE2 2.85Å; R154-E157 IonicContact NE-OE1 2.99Å; R154-E157 PolarHBondContact NE-OE1 2.99Å; R154-E157 IonicContact NH2-OE1 3.28Å; R154-E157 PolarHBondContact NH2-OE1 2.99Å; R154-E157 WeakPolarHBondContact O-CA 3.43Å; R154-E157 WeakPolarHBondContact O-CB 3.41Å; R154-E157 PolarHBondContact O-N 2.96Å; I155-E157 VanDerWaalsContact C-N 3.3Å; I155-E157 PolarHBondContact O-N 2.99Å; E157-L161 WeakPolarHBondContact O-CB 3.23Å; E157-L161 PolarHBondContact O-N 2.77Å; E157-R199 WeakPolarHBondContact OE1-CD 3.21Å; E157-I200 HydrophobicContact CB-CD1 4.36Å; E157-I200 HydrophobicContact CB-CG1 3.91Å; E157-I200 HydrophobicContact CG-CG1 4.38Å; E157-I200 WeakPolarHBondContact O-CD1 3.11Å; E157-K203 WeakPolarHBondContact OE2-CE 3.36Å; E157-K203 IonicContact OE2-NZ 2.65Å; E157-K203 PolarHBondContact OE2-NZ 2.89Å
158F94Very high93.2Very high0 Ų033 Ų330%018%0.181CC..Hα-helixtrans-60.3-51.2172.5-179.4-79.3000111.6L137 I138 K142 V143 V144 R154 I155 L160 L161 W162L137-F158 HydrophobicContact CB-CE2 4.19Å; L137-F158 HydrophobicContact CB-CZ 4.33Å; I138-F158 VanDerWaalsContact O-CZ 3.28Å; I138-F158 WeakPolarHBondContact O-CZ 3.25Å; K142-F158 VanDerWaalsContact C-CE2 3.46Å; K142-F158 HydrophobicContact CB-CD1 4.27Å; K142-F158 HydrophobicContact CB-CD2 4.3Å; K142-F158 HydrophobicContact CB-CG 4.15Å; K142-F158 HydrophobicContact CD-CD1 3.34Å; K142-F158 HydrophobicContact CD-CE1 3.4Å; K142-F158 HydrophobicContact CD-CG 4.06Å; K142-F158 HydrophobicContact CD-CZ 4.15Å; K142-F158 HydrophobicContact CG-CD1 4.43Å; K142-F158 VanDerWaalsContact O-CD2 3.25Å; K142-F158 WeakPolarHBondContact O-CD2 3.36Å; V143-F158 WeakPolarHBondContact O-CE2 3.39Å; V144-F158 HydrophobicContact CG2-CD2 3.61Å; V144-F158 HydrophobicContact CG2-CE2 4Å; R154-F158 PolarHBondContact O-N 3.47Å; I155-F158 WeakPolarHBondContact O-CB 3.5Å; I155-F158 PolarHBondContact O-N 2.92Å; F158-L160 VanDerWaalsContact C-N 3.29Å; F158-L160 PolarHBondContact O-N 3.44Å; F158-L161 PolarHBondContact O-N 2.91Å; F158-W162 HydrophobicContact CD1-CB 4.26Å; F158-W162 HydrophobicContact CE1-CB 3.87Å; F158-W162 HydrophobicContact CE1-CD2 4.28Å; F158-W162 HydrophobicContact CE1-CE3 4.18Å; F158-W162 HydrophobicContact CE1-CG 4.16Å; F158-W162 HydrophobicContact CZ-CB 4.43Å; F158-W162 HydrophobicContact CZ-CD2 4.39Å; F158-W162 AromaticContact CZ-CE3 3.83Å; F158-W162 HydrophobicContact CZ-CE3 3.83Å; F158-W162 VanDerWaalsContact O-CB 3.23Å; F158-W162 WeakPolarHBondContact O-CB 3.18Å; F158-W162 PolarHBondContact O-N 3.38Å
159E92.6Very high93.4Very high1 Ų134.3 Ų34.31%0.00517%0.173CC..Hα-helixtrans-60.5-40.3-177.1-73.7-178.6156.500111.5Y122 I155 K156 Y163 V181Y122-E159 HydrophobicContact CD2-CG 4.43Å; Y122-E159 HydrophobicContact CE2-CG 3.95Å; Y122-E159 VanDerWaalsContact CE2-OE1 3.28Å; Y122-E159 WeakPolarHBondContact CE2-OE1 3.47Å; I155-E159 HydrophobicContact CG2-CG 4.19Å; I155-E159 WeakPolarHBondContact O-CB 3.34Å; I155-E159 WeakPolarHBondContact O-CG 3.29Å; I155-E159 PolarHBondContact O-N 3.03Å; K156-E159 IonicContact NZ-OE2 3.36Å; K156-E159 PolarHBondContact NZ-OE2 3.28Å; E159-Y163 WeakPolarHBondContact O-CB 3.5Å; E159-Y163 PolarHBondContact O-N 3.33Å; E159-V181 HydrophobicContact CB-CG1 3.9Å
160L95.2Very high93.7Very high0 Ų033.4 Ų33.40%017%0.169CC..Hα-helixtrans-66.1-48.8175.9179.759.5000112.1K156 F158 Y163 L164 L177 V181 W182 H196 I197 I200K156-L160 WeakPolarHBondContact O-CB 3.27Å; K156-L160 PolarHBondContact O-N 3.45Å; F158-L160 VanDerWaalsContact C-N 3.29Å; F158-L160 PolarHBondContact O-N 3.44Å; L160-Y163 PolarHBondContact O-N 2.82Å; L160-L164 HydrophobicContact CD1-CD1 4.13Å; L160-L164 HydrophobicContact CG-CD1 4.27Å; L160-L164 PolarHBondContact O-N 2.77Å; L160-L164 VanDerWaalsContact O-N 3.11Å; L160-L177 HydrophobicContact CD1-CB 4.3Å; L160-L177 HydrophobicContact CD1-CD1 4.19Å; L160-L177 HydrophobicContact CD1-CD2 3.79Å; L160-L177 HydrophobicContact CD1-CG 4.31Å; L160-V181 HydrophobicContact CB-CG1 4.4Å; L160-V181 HydrophobicContact CD1-CG2 4.23Å; L160-W182 HydrophobicContact CD1-CZ3 4.41Å; L160-W182 HydrophobicContact CD2-CH2 4.15Å; L160-H196 HydrophobicContact CD2-CB 3.52Å; L160-I197 HydrophobicContact CD1-CD1 4.35Å; L160-I197 HydrophobicContact CD2-CD1 3.68Å; L160-I197 HydrophobicContact CD2-CG1 3.94Å; L160-I197 HydrophobicContact CG-CD1 4.09Å; L160-I200 HydrophobicContact CB-CD1 4.05Å; L160-I200 HydrophobicContact CD2-CD1 3.77Å; L160-I200 HydrophobicContact CG-CD1 3.97Å
161L97.5Very high93.8Very high0 Ų030.3 Ų30.30%016%0.159CC..Hα-helixtrans-62.3-44178.1-179.560.5000110.8L137 V144 M153 E157 F158 Y163 L164 A165 I200 I214 F224L137-L161 HydrophobicContact CD2-CB 4.48Å; L137-L161 HydrophobicContact CD2-CD2 4.12Å; L137-L161 HydrophobicContact CD2-CG 3.84Å; L137-L161 HydrophobicContact CG-CD2 4.39Å; V144-L161 HydrophobicContact CG1-CD2 4.45Å; V144-L161 HydrophobicContact CG2-CD2 4.32Å; M153-L161 HydrophobicContact CE-CD2 3.97Å; M153-L161 HydrophobicContact SD-CD2 3.99Å; E157-L161 WeakPolarHBondContact O-CB 3.23Å; E157-L161 PolarHBondContact O-N 2.77Å; F158-L161 PolarHBondContact O-N 2.91Å; L161-Y163 PolarHBondContact O-N 3.37Å; L161-L164 PolarHBondContact O-N 2.79Å; L161-A165 WeakPolarHBondContact O-CB 3.5Å; L161-A165 PolarHBondContact O-N 2.8Å; L161-I200 HydrophobicContact CB-CD1 4.2Å; L161-I200 HydrophobicContact CB-CG2 4.34Å; L161-I200 HydrophobicContact CD1-CG2 4.01Å; L161-I200 HydrophobicContact CD2-CG2 4.2Å; L161-I200 HydrophobicContact CG-CG2 4.38Å; L161-I214 HydrophobicContact CD1-CD1 4.06Å; L161-I214 HydrophobicContact CD1-CG1 4.43Å; L161-F224 HydrophobicContact CD1-CD2 4.07Å; L161-F224 HydrophobicContact CD1-CE2 4Å
162W95.6Very high93.9Very high3 Ų330.3 Ų30.31%0.01116%0.159CC..Hα-helixtrans-58.9-45.7175.4179.9-91.7000112.1V127 L130 L137 N139 F158 L164 A165 S166V127-W162 HydrophobicContact CG1-CH2 4.17Å; V127-W162 HydrophobicContact CG1-CZ2 4.4Å; V127-W162 WeakPolarHBondContact O-CH2 3.1Å; V127-W162 VanDerWaalsContact O-CZ2 3.3Å; V127-W162 WeakPolarHBondContact O-CZ2 3.39Å; L130-W162 HydrophobicContact CB-CZ3 4.19Å; L130-W162 HydrophobicContact CD1-CD2 4.19Å; L130-W162 HydrophobicContact CD1-CE3 3.9Å; L130-W162 HydrophobicContact CD1-CH2 4.04Å; L130-W162 HydrophobicContact CD1-CZ2 4.35Å; L130-W162 HydrophobicContact CD1-CZ3 3.82Å; L130-W162 HydrophobicContact CG-CE3 4.27Å; L130-W162 HydrophobicContact CG-CH2 3.7Å; L130-W162 HydrophobicContact CG-CZ2 4.36Å; L130-W162 HydrophobicContact CG-CZ3 3.67Å; L137-W162 HydrophobicContact CB-CE3 3.74Å; L137-W162 HydrophobicContact CB-CZ3 3.91Å; L137-W162 HydrophobicContact CD2-CB 4.27Å; L137-W162 HydrophobicContact CD2-CE3 3.98Å; N139-W162 HydrophobicContact CB-CD2 4.17Å; N139-W162 HydrophobicContact CB-CE3 4.03Å; N139-W162 HydrophobicContact CB-CH2 3.48Å; N139-W162 VanDerWaalsContact CB-CH2 3.48Å; N139-W162 HydrophobicContact CB-CZ2 3.59Å; N139-W162 HydrophobicContact CB-CZ3 3.69Å; F158-W162 HydrophobicContact CD1-CB 4.26Å; F158-W162 HydrophobicContact CE1-CB 3.87Å; F158-W162 HydrophobicContact CE1-CD2 4.28Å; F158-W162 HydrophobicContact CE1-CE3 4.18Å; F158-W162 HydrophobicContact CE1-CG 4.16Å; F158-W162 HydrophobicContact CZ-CB 4.43Å; F158-W162 HydrophobicContact CZ-CD2 4.39Å; F158-W162 AromaticContact CZ-CE3 3.83Å; F158-W162 HydrophobicContact CZ-CE3 3.83Å; F158-W162 VanDerWaalsContact O-CB 3.23Å; F158-W162 WeakPolarHBondContact O-CB 3.18Å; F158-W162 PolarHBondContact O-N 3.38Å; W162-L164 VanDerWaalsContact C-N 3.34Å; W162-L164 PolarHBondContact O-N 3.28Å; W162-A165 PolarHBondContact O-N 2.97Å; W162-S166 VanDerWaalsContact O-CB 3.29Å; W162-S166 WeakPolarHBondContact O-CB 3.43Å; W162-S166 PolarHBondContact O-N 3.36Å; W162-S166 PolarHBondContact O-OG 3Å
163Y95.8Very high94.2Very high17 Ų1727.9 Ų27.97%0.06714%0.144CC..Hα-helixtrans-62.4-42-179.2-168.9-89.2000112.1E159 L160 L161 S166 R167 I172 E176 L177 K180 V181E159-Y163 WeakPolarHBondContact O-CB 3.5Å; E159-Y163 PolarHBondContact O-N 3.33Å; L160-Y163 PolarHBondContact O-N 2.82Å; L161-Y163 PolarHBondContact O-N 3.37Å; Y163-S166 PolarHBondContact O-OG 2.77Å; Y163-R167 VanDerWaalsContact CE2-NH1 3.29Å; Y163-R167 PolarHBondContact O-NH1 3.22Å; Y163-R167 PolarHBondContact OH-NH2 3.05Å; Y163-I172 HydrophobicContact CD1-CG2 4.33Å; Y163-I172 HydrophobicContact CE1-CG1 4.49Å; Y163-I172 HydrophobicContact CE1-CG2 3.78Å; Y163-E176 PolarHBondContact OH-OE1 3.07Å; Y163-L177 HydrophobicContact CD1-CD2 3.67Å; Y163-L177 HydrophobicContact CE1-CD2 4.2Å; Y163-K180 HydrophobicContact CD2-CB 4.08Å; Y163-K180 HydrophobicContact CE1-CB 4.43Å; Y163-K180 HydrophobicContact CE2-CB 3.55Å; Y163-K180 HydrophobicContact CE2-CG 3.88Å; Y163-V181 HydrophobicContact CG-CG2 4.39Å
164L97.9Very high94.2Very high1 Ų130.5 Ų30.51%0.00516%0.155CC..Hα-helixtrans-71.9-46176.9-72.6167.9000112L160 L161 W162 S166 R167 I172 L177 I197 I214 F224L160-L164 HydrophobicContact CD1-CD1 4.13Å; L160-L164 HydrophobicContact CG-CD1 4.27Å; L160-L164 PolarHBondContact O-N 2.77Å; L160-L164 VanDerWaalsContact O-N 3.11Å; L161-L164 PolarHBondContact O-N 2.79Å; W162-L164 VanDerWaalsContact C-N 3.34Å; W162-L164 PolarHBondContact O-N 3.28Å; L164-S166 PolarHBondContact O-N 3.33Å; L164-R167 CarbonylContact O-C 3.56Å; L164-R167 VanDerWaalsContact O-C 3.25Å; L164-R167 WeakPolarHBondContact O-CA 3.34Å; L164-R167 PolarHBondContact O-N 2.97Å; L164-I172 HydrophobicContact CD2-CB 4Å; L164-I172 HydrophobicContact CD2-CG1 3.9Å; L164-L177 HydrophobicContact CD2-CD1 4.34Å; L164-L177 HydrophobicContact CD2-CD2 3.86Å; L164-L177 HydrophobicContact CG-CD2 4.03Å; L164-I197 HydrophobicContact CD1-CD1 3.62Å; L164-I214 HydrophobicContact CD1-CD1 3.95Å; L164-I214 HydrophobicContact CD1-CG1 4.27Å; L164-I214 HydrophobicContact CD1-CG2 3.95Å; L164-F224 HydrophobicContact CB-CB 3.96Å
165A96.7Very high94.2Very high2 Ų233.8 Ų33.82%0.01718%0.179CC..Hα-helixtrans-68.7-34.2-17600000112.5L130 F132 L137 L161 W162 R167 E168 F224L130-A165 HydrophobicContact CD1-CB 4.06Å; F132-A165 HydrophobicContact CE2-CB 3.68Å; F132-A165 HydrophobicContact CZ-CB 4Å; F132-A165 VanDerWaalsContact CZ-O 3.3Å; F132-A165 WeakPolarHBondContact CZ-O 3.4Å; L137-A165 HydrophobicContact CD2-CB 4.18Å; L161-A165 WeakPolarHBondContact O-CB 3.5Å; L161-A165 PolarHBondContact O-N 2.8Å; W162-A165 PolarHBondContact O-N 2.97Å; A165-R167 PolarHBondContact O-N 2.94Å; A165-R167 VanDerWaalsContact O-N 3.09Å; A165-E168 PolarHBondContact O-N 3.09Å; A165-F224 HydrophobicContact CB-CD1 3.92Å; A165-F224 HydrophobicContact CB-CD2 4.48Å; A165-F224 HydrophobicContact CB-CE1 4Å; A165-F224 HydrophobicContact CB-CG 4.17Å; A165-F224 HydrophobicContact CB-CZ 4.32Å
166S94.7Very high94.4Very high49 Ų4935.1 Ų35.134%0.34319%0.185SC..THydrogen-bonded Turntrans-64.9-9.2172.1550000113.9W162 Y163 L164W162-S166 VanDerWaalsContact O-CB 3.29Å; W162-S166 WeakPolarHBondContact O-CB 3.43Å; W162-S166 PolarHBondContact O-N 3.36Å; W162-S166 PolarHBondContact O-OG 3Å; Y163-S166 PolarHBondContact O-OG 2.77Å; L164-S166 PolarHBondContact O-N 3.33Å
167R95.5Very high94.6Very high73 Ų7334.9 Ų34.928%0.27518%0.184SC..THydrogen-bonded Turntrans-128.647.3179.7-65.4173.6-176.667.35.7110.2Y163 L164 A165 N169 E170 I172Y163-R167 VanDerWaalsContact CE2-NH1 3.29Å; Y163-R167 PolarHBondContact O-NH1 3.22Å; Y163-R167 PolarHBondContact OH-NH2 3.05Å; L164-R167 CarbonylContact O-C 3.56Å; L164-R167 VanDerWaalsContact O-C 3.25Å; L164-R167 WeakPolarHBondContact O-CA 3.34Å; L164-R167 PolarHBondContact O-N 2.97Å; A165-R167 PolarHBondContact O-N 2.94Å; A165-R167 VanDerWaalsContact O-N 3.09Å; R167-N169 PolarHBondContact O-N 3.06Å; R167-E170 HydrophobicContact CB-CB 4.06Å; R167-E170 HydrophobicContact CB-CG 4.2Å; R167-E170 WeakPolarHBondContact O-CB 3.42Å; R167-E170 PolarHBondContact O-N 3.48Å; R167-I172 HydrophobicContact CB-CD1 4.3Å
168E95Very high94.4Very high69 Ų6935.2 Ų35.232%0.32219%0.186SC..THydrogen-bonded Turntrans-48.4135179.9-165-161.8157.600110.9F132 A165 E170 Y212 F224F132-E168 HydrophobicContact CE1-CB 4.31Å; F132-E168 HydrophobicContact CE1-CG 4.21Å; A165-E168 PolarHBondContact O-N 3.09Å; E168-E170 PolarHBondContact O-N 3.11Å; E168-Y212 HydrophobicContact CG-CE1 4.21Å; E168-Y212 VanDerWaalsContact OE1-CE1 3.29Å; E168-Y212 WeakPolarHBondContact OE1-CE1 3.42Å; E168-Y212 PolarHBondContact OE1-OH 2.75Å; E168-F224 HydrophobicContact CG-CD1 4.22Å
169N95.8Very high93.9Very high92 Ų9237.4 Ų37.449%0.49220%0.196SC..THydrogen-bonded Turntrans69.4-2.5-177.9-54.5-63.9000116.3R167 K223 F224R167-N169 PolarHBondContact O-N 3.06Å; N169-K223 VanDerWaalsContact O-CD 3.25Å; N169-K223 WeakPolarHBondContact O-CD 3.29Å; N169-F224 PolarHBondContact N-O 3.03Å
170E97.6Very high93.7Very high107 Ų10741.5 Ų41.550%0.521%0.214SC..  trans-85.5139.5172.5-58.9-177.5-167.100111.5R167 E168 I172 K223R167-E170 HydrophobicContact CB-CB 4.06Å; R167-E170 HydrophobicContact CB-CG 4.2Å; R167-E170 WeakPolarHBondContact O-CB 3.42Å; R167-E170 PolarHBondContact O-N 3.48Å; E168-E170 PolarHBondContact O-N 3.11Å; E170-I172 HydrophobicContact CB-CD1 3.95Å; E170-K223 WeakPolarHBondContact O-CG 3.44Å
171V97.5Very high93.4Very high64 Ų6441.6 Ų41.639%0.38821%0.214SC..  trans-88.4113.5173.7-174.70000108.7V217 L220 K223V171-V217 HydrophobicContact CG1-CB 3.91Å; V171-V217 HydrophobicContact CG1-CG1 4.15Å; V171-V217 HydrophobicContact CG1-CG2 4.05Å; V171-V217 HydrophobicContact CG2-CG1 4.38Å; V171-V217 HydrophobicContact CG2-CG2 4.03Å; V171-L220 HydrophobicContact CG1-CB 3.65Å; V171-K223 HydrophobicContact CG2-CB 4.38Å; V171-K223 HydrophobicContact CG2-CD 4.06Å
172I97Very high92.7Very high4 Ų442.1 Ų42.12%0.02122%0.216CC..BIsolated β-bridgetrans-101.8127.9-179.9-48.4-55000109.8Y163 L164 R167 E170 E176 L177 G221 Y222Y163-I172 HydrophobicContact CD1-CG2 4.33Å; Y163-I172 HydrophobicContact CE1-CG1 4.49Å; Y163-I172 HydrophobicContact CE1-CG2 3.78Å; L164-I172 HydrophobicContact CD2-CB 4Å; L164-I172 HydrophobicContact CD2-CG1 3.9Å; R167-I172 HydrophobicContact CB-CD1 4.3Å; E170-I172 HydrophobicContact CB-CD1 3.95Å; I172-E176 HydrophobicContact CG2-CB 4.06Å; I172-E176 HydrophobicContact CG2-CG 4Å; I172-L177 HydrophobicContact CB-CD2 4.08Å; I172-L177 HydrophobicContact CB-CG 4.27Å; I172-L177 HydrophobicContact CG2-CD2 3.53Å; I172-L177 HydrophobicContact CG2-CG 3.67Å; I172-G221 WeakPolarHBondContact O-CA 3.06Å; I172-Y222 PolarHBondContact N-O 3.43Å; I172-Y222 PolarHBondContact O-N 3.02Å
173S93.8Very high91.8Very high37 Ų3742.2 Ų42.226%0.25922%0.218SC..  trans-69.4151.7-179.772.50000112.6S175 E176 L177 L220S173-S175 VanDerWaalsContact C-N 3.28Å; S173-S175 PolarHBondContact O-N 2.91Å; S173-S175 PolarHBondContact OG-OG 3.22Å; S173-S175 VanDerWaalsContact OG-OG 3.07Å; S173-E176 PolarHBondContact O-N 3.5Å; S173-E176 VanDerWaalsContact OG-CB 3.23Å; S173-E176 WeakPolarHBondContact OG-CB 3.4Å; S173-E176 PolarHBondContact OG-N 3.27Å; S173-E176 VanDerWaalsContact OG-N 3.14Å; S173-L177 WeakPolarHBondContact O-CG 3.48Å; S173-L177 PolarHBondContact O-N 3.28Å; S173-L220 VanDerWaalsContact CA-O 3.31Å; S173-L220 WeakPolarHBondContact CA-O 3.34Å
174K91Very high90.3Very high75 Ų7548 Ų4833%0.32624%0.241SC..Hα-helixtrans-60-39.2176.2-63.8-168.7-172.8-172.70112.2E176 L177 L178 A190 N194 Y222K174-E176 VanDerWaalsContact C-N 3.33Å; K174-L177 PolarHBondContact O-N 3.2Å; K174-L178 VanDerWaalsContact O-CB 3.26Å; K174-L178 WeakPolarHBondContact O-CB 3.35Å; K174-L178 PolarHBondContact O-N 3.43Å; K174-A190 HydrophobicContact CB-CB 4.39Å; K174-A190 HydrophobicContact CD-CB 4.27Å; K174-N194 VanDerWaalsContact CE-OD1 3.28Å; K174-N194 WeakPolarHBondContact CE-OD1 3.2Å; K174-N194 PolarHBondContact NZ-ND2 3.37Å; K174-N194 PolarHBondContact NZ-OD1 3.45Å; K174-Y222 HydrophobicContact CD-CE2 4.25Å; K174-Y222 HydrophobicContact CG-CD2 4.36Å; K174-Y222 HydrophobicContact CG-CE2 3.97Å
175S87.6Confident88.5Confident79 Ų7953 Ų5355%0.55227%0.267SS*.Hα-helixtrans-61.8-40.9176.542.70000112S173 L178 E179S173-S175 VanDerWaalsContact C-N 3.28Å; S173-S175 PolarHBondContact O-N 2.91Å; S173-S175 PolarHBondContact OG-OG 3.22Å; S173-S175 VanDerWaalsContact OG-OG 3.07Å; S175-L178 PolarHBondContact O-N 3.22Å; S175-E179 WeakPolarHBondContact O-CB 3.36Å; S175-E179 PolarHBondContact O-N 2.64Å
176E90.9Very high86.7Confident57 Ų5753.2 Ų53.227%0.26627%0.268SS..Hα-helixtrans-68.7-44.8176.2-176.7-175.3156.700111.7Y163 I172 S173 K174 L178 E179 K180Y163-E176 PolarHBondContact OH-OE1 3.07Å; I172-E176 HydrophobicContact CG2-CB 4.06Å; I172-E176 HydrophobicContact CG2-CG 4Å; S173-E176 PolarHBondContact O-N 3.5Å; S173-E176 VanDerWaalsContact OG-CB 3.23Å; S173-E176 WeakPolarHBondContact OG-CB 3.4Å; S173-E176 PolarHBondContact OG-N 3.27Å; S173-E176 VanDerWaalsContact OG-N 3.14Å; K174-E176 VanDerWaalsContact C-N 3.33Å; E176-L178 PolarHBondContact O-N 3.11Å; E176-E179 PolarHBondContact O-N 2.94Å; E176-K180 HydrophobicContact CG-CG 3.93Å; E176-K180 VanDerWaalsContact O-CB 3.31Å; E176-K180 WeakPolarHBondContact O-CB 3.31Å; E176-K180 VanDerWaalsContact O-CG 3.25Å; E176-K180 WeakPolarHBondContact O-CG 3.45Å; E176-K180 PolarHBondContact O-N 3.05Å
177L92.3Very high84.7Confident0 Ų059.2 Ų59.20%028%0.284CS..Hα-helixtrans-57.5-43175.8-67.3172.2000111L160 Y163 L164 I172 S173 K174 K180 V181 V193 Y222L160-L177 HydrophobicContact CD1-CB 4.3Å; L160-L177 HydrophobicContact CD1-CD1 4.19Å; L160-L177 HydrophobicContact CD1-CD2 3.79Å; L160-L177 HydrophobicContact CD1-CG 4.31Å; Y163-L177 HydrophobicContact CD1-CD2 3.67Å; Y163-L177 HydrophobicContact CE1-CD2 4.2Å; L164-L177 HydrophobicContact CD2-CD1 4.34Å; L164-L177 HydrophobicContact CD2-CD2 3.86Å; L164-L177 HydrophobicContact CG-CD2 4.03Å; I172-L177 HydrophobicContact CB-CD2 4.08Å; I172-L177 HydrophobicContact CB-CG 4.27Å; I172-L177 HydrophobicContact CG2-CD2 3.53Å; I172-L177 HydrophobicContact CG2-CG 3.67Å; S173-L177 WeakPolarHBondContact O-CG 3.48Å; S173-L177 PolarHBondContact O-N 3.28Å; K174-L177 PolarHBondContact O-N 3.2Å; L177-K180 PolarHBondContact O-N 3.2Å; L177-V181 WeakPolarHBondContact O-CB 3.45Å; L177-V181 WeakPolarHBondContact O-CG2 3.4Å; L177-V181 PolarHBondContact O-N 2.75Å; L177-V193 HydrophobicContact CB-CG1 4.17Å; L177-V193 HydrophobicContact CB-CG2 4.32Å; L177-V193 HydrophobicContact CD1-CG1 3.7Å; L177-Y222 HydrophobicContact CD1-CD2 3.73Å; L177-Y222 HydrophobicContact CD1-CG 4.42Å
178L87.8Confident82.8Confident10 Ų1062.6 Ų62.65%0.05230%0.303CS..Iπ-helixtrans-61.1-51177-165.963.7000111.4K174 S175 E176 K180 W182 G183 Y186 T192 V193K174-L178 VanDerWaalsContact O-CB 3.26Å; K174-L178 WeakPolarHBondContact O-CB 3.35Å; K174-L178 PolarHBondContact O-N 3.43Å; S175-L178 PolarHBondContact O-N 3.22Å; E176-L178 PolarHBondContact O-N 3.11Å; L178-K180 PolarHBondContact O-N 2.82Å; L178-W182 HydrophobicContact CD1-CB 4.23Å; L178-W182 HydrophobicContact CD1-CD2 4.23Å; L178-W182 HydrophobicContact CD1-CE3 4.12Å; L178-W182 HydrophobicContact CD1-CG 4.29Å; L178-W182 CarbonylContact O-C 3.52Å; L178-W182 WeakPolarHBondContact O-CA 3.49Å; L178-W182 VanDerWaalsContact O-CB 3.28Å; L178-W182 WeakPolarHBondContact O-CB 3.34Å; L178-W182 PolarHBondContact O-N 2.92Å; L178-G183 PolarHBondContact O-N 3.32Å; L178-Y186 HydrophobicContact CD1-CD1 3.67Å; L178-Y186 HydrophobicContact CD1-CE1 4.48Å; L178-Y186 HydrophobicContact CD1-CG 4.13Å; L178-Y186 WeakPolarHBondContact CD2-O 3.28Å; L178-Y186 HydrophobicContact CG-CD1 4.36Å; L178-Y186 HydrophobicContact CG-CG 4.46Å; L178-T192 HydrophobicContact CD1-CG2 3.58Å; L178-V193 HydrophobicContact CB-CG2 4.41Å; L178-V193 HydrophobicContact CD1-CG2 4.26Å
179E85Confident81.2Confident45 Ų4560.6 Ų60.621%0.2130%0.295CS..Iπ-helixtrans-60-45.6177.8-175.7-167.3136.500112.6S175 E176 G183 Y184S175-E179 WeakPolarHBondContact O-CB 3.36Å; S175-E179 PolarHBondContact O-N 2.64Å; E176-E179 PolarHBondContact O-N 2.94Å; E179-G183 CarbonylContact O-C 3.25Å; E179-G183 WeakPolarHBondContact O-CA 3.45Å; E179-G183 PolarHBondContact O-N 2.97Å; E179-Y184 HydrophobicContact CG-CD1 3.74Å; E179-Y184 HydrophobicContact CG-CE1 3.43Å; E179-Y184 VanDerWaalsContact CG-CE1 3.43Å; E179-Y184 HydrophobicContact CG-CE2 4.31Å; E179-Y184 HydrophobicContact CG-CG 4.28Å; E179-Y184 VanDerWaalsContact OE1-CE1 3.3Å; E179-Y184 WeakPolarHBondContact OE1-CE1 3.38Å; E179-Y184 PolarHBondContact OE1-OH 3.31Å
180K87.5Confident79.8Confident88 Ų8858.1 Ų58.138%0.38329%0.287SS..Iπ-helixtrans-84.5-31.7-169.6-62.8-60.4-171.5-148.30113.4Y163 E176 L177 L178Y163-K180 HydrophobicContact CD2-CB 4.08Å; Y163-K180 HydrophobicContact CE1-CB 4.43Å; Y163-K180 HydrophobicContact CE2-CB 3.55Å; Y163-K180 HydrophobicContact CE2-CG 3.88Å; E176-K180 HydrophobicContact CG-CG 3.93Å; E176-K180 VanDerWaalsContact O-CB 3.31Å; E176-K180 WeakPolarHBondContact O-CB 3.31Å; E176-K180 VanDerWaalsContact O-CG 3.25Å; E176-K180 WeakPolarHBondContact O-CG 3.45Å; E176-K180 PolarHBondContact O-N 3.05Å; L177-K180 PolarHBondContact O-N 3.2Å; L178-K180 PolarHBondContact O-N 2.82Å
181V88.1Confident78.8Confident1 Ų156 Ų561%0.00628%0.279CS..Iπ-helixtrans-94.9-44.3-179.9-179.50000110.9R118 K156 E159 L160 Y163 L177R118-V181 PolarHBondContact NH1-O 3.4Å; R118-V181 VanDerWaalsContact NH1-O 3.16Å; K156-V181 HydrophobicContact CD-CG1 4.07Å; K156-V181 PolarHBondContact NZ-O 3.5Å; E159-V181 HydrophobicContact CB-CG1 3.9Å; L160-V181 HydrophobicContact CB-CG1 4.4Å; L160-V181 HydrophobicContact CD1-CG2 4.23Å; Y163-V181 HydrophobicContact CG-CG2 4.39Å; L177-V181 WeakPolarHBondContact O-CB 3.45Å; L177-V181 WeakPolarHBondContact O-CG2 3.4Å; L177-V181 PolarHBondContact O-N 2.75Å
182W84.2Confident78Confident11 Ų1153 Ų534%0.04226%0.261CS..Iπ-helixtrans-94.8-38.3-179.8-72.5-95.8000113.2R118 L160 L178 Y186 T192 V193 H196R118-W182 PolarHBondContact NH1-O 2.98Å; R118-W182 PolarHBondContact NH2-O 2.88Å; L160-W182 HydrophobicContact CD1-CZ3 4.41Å; L160-W182 HydrophobicContact CD2-CH2 4.15Å; L178-W182 HydrophobicContact CD1-CB 4.23Å; L178-W182 HydrophobicContact CD1-CD2 4.23Å; L178-W182 HydrophobicContact CD1-CE3 4.12Å; L178-W182 HydrophobicContact CD1-CG 4.29Å; L178-W182 CarbonylContact O-C 3.52Å; L178-W182 WeakPolarHBondContact O-CA 3.49Å; L178-W182 VanDerWaalsContact O-CB 3.28Å; L178-W182 WeakPolarHBondContact O-CB 3.34Å; L178-W182 PolarHBondContact O-N 2.92Å; W182-Y186 HydrophobicContact CB-CD1 4.28Å; W182-Y186 HydrophobicContact CB-CD2 3.65Å; W182-Y186 HydrophobicContact CB-CE2 3.97Å; W182-Y186 HydrophobicContact CB-CG 3.82Å; W182-Y186 AromaticContact CD1-CE2 3.95Å; W182-Y186 AromaticContact CD1-CZ 3.78Å; W182-Y186 HydrophobicContact CG-CD2 4.42Å; W182-Y186 HydrophobicContact CG-CE1 4.42Å; W182-Y186 HydrophobicContact CG-CE2 4.33Å; W182-T192 HydrophobicContact CD2-CG2 4.06Å; W182-T192 HydrophobicContact CE3-CG2 4.44Å; W182-T192 HydrophobicContact CH2-CG2 4.34Å; W182-T192 HydrophobicContact CZ2-CG2 3.96Å; W182-V193 HydrophobicContact CE3-CG2 4.37Å; W182-V193 HydrophobicContact CH2-CG2 4.22Å; W182-V193 HydrophobicContact CZ3-CG2 3.77Å; W182-H196 HydrophobicContact CH2-CB 4.2Å; W182-H196 HydrophobicContact CZ2-CB 4.36Å; W182-H196 AromaticContact CZ2-CE1 3.69Å; W182-H196 AromaticContact CZ2-CG 3.73Å; W182-H196 AromaticContact CZ2-ND1 3.5Å; W182-H196 WeakPolarHBondContact CZ2-ND1 3.4Å
183G76.3Confident77.6Confident5 Ų552.8 Ų52.85%0.05226%0.26CS..  trans119.7174.817900000113L178 E179 D185L178-G183 PolarHBondContact O-N 3.32Å; E179-G183 CarbonylContact O-C 3.25Å; E179-G183 WeakPolarHBondContact O-CA 3.45Å; E179-G183 PolarHBondContact O-N 2.97Å; G183-D185 VanDerWaalsContact C-N 3.29Å; G183-D185 PolarHBondContact O-N 3.41Å
184Y63.7Low77.4Confident138 Ų13853 Ų5354%0.54126%0.258SS..G310 helixtrans-68.1-23.1-178.1-73.7-76.6000114.3E179 Y186 Y187E179-Y184 HydrophobicContact CG-CD1 3.74Å; E179-Y184 HydrophobicContact CG-CE1 3.43Å; E179-Y184 VanDerWaalsContact CG-CE1 3.43Å; E179-Y184 HydrophobicContact CG-CE2 4.31Å; E179-Y184 HydrophobicContact CG-CG 4.28Å; E179-Y184 VanDerWaalsContact OE1-CE1 3.3Å; E179-Y184 WeakPolarHBondContact OE1-CE1 3.38Å; E179-Y184 PolarHBondContact OE1-OH 3.31Å; Y184-Y186 PolarHBondContact O-N 3.21Å; Y184-Y187 HydrophobicContact CD1-CE2 4.42Å; Y184-Y187 WeakPolarHBondContact O-CD2 3.37Å
185D61Low77.2Confident106 Ų10650.3 Ų50.357%0.56725%0.248SC*.G310 helixtrans-76.715.2-173.7-55.9-43.7000114.1G183G183-D185 VanDerWaalsContact C-N 3.29Å; G183-D185 PolarHBondContact O-N 3.41Å
186Y59.1Low77.3Confident7 Ų746.5 Ų46.53%0.02722%0.222CC..G310 helixtrans-119.16.2-162-115.5-82.7000115.5D97 Y98 L178 W182 Y184 E188 T192D97-Y186 VanDerWaalsContact C-OH 3.22Å; D97-Y186 WeakPolarHBondContact CA-OH 3.11Å; D97-Y186 WeakPolarHBondContact OD1-CE2 3.46Å; D97-Y186 PolarHBondContact OD1-OH 3.16Å; D97-Y186 VanDerWaalsContact OD1-OH 3.05Å; Y98-Y186 AromaticContact CD1-CE1 3.88Å; Y98-Y186 HydrophobicContact CD1-CE1 3.88Å; Y98-Y186 AromaticContact CD1-CZ 4Å; Y98-Y186 VanDerWaalsContact CD1-OH 3.3Å; Y98-Y186 WeakPolarHBondContact CD1-OH 3.33Å; Y98-Y186 HydrophobicContact CE1-CD1 4.12Å; Y98-Y186 AromaticContact CE1-CE1 3.27Å; Y98-Y186 HydrophobicContact CE1-CE1 3.27Å; Y98-Y186 AromaticContact CE1-CZ 3.85Å; Y98-Y186 AromaticContact CZ-CE1 3.81Å; Y98-Y186 PolarHBondContact N-OH 3.39Å; L178-Y186 HydrophobicContact CD1-CD1 3.67Å; L178-Y186 HydrophobicContact CD1-CE1 4.48Å; L178-Y186 HydrophobicContact CD1-CG 4.13Å; L178-Y186 WeakPolarHBondContact CD2-O 3.28Å; L178-Y186 HydrophobicContact CG-CD1 4.36Å; L178-Y186 HydrophobicContact CG-CG 4.46Å; W182-Y186 HydrophobicContact CB-CD1 4.28Å; W182-Y186 HydrophobicContact CB-CD2 3.65Å; W182-Y186 HydrophobicContact CB-CE2 3.97Å; W182-Y186 HydrophobicContact CB-CG 3.82Å; W182-Y186 AromaticContact CD1-CE2 3.95Å; W182-Y186 AromaticContact CD1-CZ 3.78Å; W182-Y186 HydrophobicContact CG-CD2 4.42Å; W182-Y186 HydrophobicContact CG-CE1 4.42Å; W182-Y186 HydrophobicContact CG-CE2 4.33Å; Y184-Y186 PolarHBondContact O-N 3.21Å; Y186-E188 PolarHBondContact O-N 2.94Å; Y186-T192 HydrophobicContact CE1-CG2 4.45Å
187Y53.2Low77.5Confident176 Ų17643.8 Ų43.869%0.6921%0.209SC*.THydrogen-bonded Turntrans-50.5-16-169.1-90.4-84.1000117.2Y184Y184-Y187 HydrophobicContact CD1-CE2 4.42Å; Y184-Y187 WeakPolarHBondContact O-CD2 3.37Å
188E54.5Low77.5Confident144 Ų14448.7 Ų48.767%0.67323%0.232SC*.THydrogen-bonded Turntrans-91.3-15.4-169.1-67.2-172.9165.800116.1K100 Y186K100-E188 IonicContact NZ-OE2 3.47Å; K100-E188 PolarHBondContact NZ-OE2 3.1Å; Y186-E188 PolarHBondContact O-N 2.94Å
189D61.6Low77.7Confident26 Ų2649.9 Ų49.914%0.13924%0.235CC..  trans-145.588.5-173.9-135.5-37.9000117.3L91 Y98 N191L91-D189 HydrophobicContact CD1-CB 3.88Å; L91-D189 VanDerWaalsContact CD1-OD1 3.31Å; L91-D189 WeakPolarHBondContact CD1-OD1 3.35Å; L91-D189 WeakPolarHBondContact CD1-OD2 3.28Å; L91-D189 HydrophobicContact CD2-CB 4.45Å; Y98-D189 VanDerWaalsContact OH-CB 3.27Å; Y98-D189 WeakPolarHBondContact OH-CB 3.48Å; D189-N191 PolarHBondContact O-N 2.81Å; D189-N191 PolarHBondContact OD1-ND2 2.84Å; D189-N191 VanDerWaalsContact OD1-ND2 3.09Å
190A67Low78.2Confident41 Ų4147.7 Ų47.734%0.33923%0.225SC..THydrogen-bonded Turntrans-64.9-5.4177.500000114.6K174 V193K174-A190 HydrophobicContact CB-CB 4.39Å; K174-A190 HydrophobicContact CD-CB 4.27Å; A190-V193 PolarHBondContact O-N 2.77Å
191N75.6Confident78.6Confident61 Ų6146.2 Ų46.233%0.32622%0.217SC..Hα-helixtrans-70-28.7179.7-74.6-43000113.4L91 D189 V193 N194 V195L91-N191 HydrophobicContact CB-CB 4.19Å; L91-N191 HydrophobicContact CD1-CB 3.87Å; D189-N191 PolarHBondContact O-N 2.81Å; D189-N191 PolarHBondContact OD1-ND2 2.84Å; D189-N191 VanDerWaalsContact OD1-ND2 3.09Å; N191-V193 PolarHBondContact O-N 3.12Å; N191-N194 WeakPolarHBondContact O-CB 3.3Å; N191-N194 PolarHBondContact O-N 3.02Å; N191-N194 VanDerWaalsContact O-N 3.11Å; N191-N194 PolarHBondContact OD1-ND2 3.39Å; N191-V195 WeakPolarHBondContact O-CG2 3.36Å; N191-V195 PolarHBondContact O-N 3Å
192T81.5Confident78.8Confident1 Ų150.8 Ų50.81%0.00624%0.238CC..Hα-helixtrans-56.3-41.8177-170.80000111L178 W182 Y186 N194 V195 H196L178-T192 HydrophobicContact CD1-CG2 3.58Å; W182-T192 HydrophobicContact CD2-CG2 4.06Å; W182-T192 HydrophobicContact CE3-CG2 4.44Å; W182-T192 HydrophobicContact CH2-CG2 4.34Å; W182-T192 HydrophobicContact CZ2-CG2 3.96Å; Y186-T192 HydrophobicContact CE1-CG2 4.45Å; T192-N194 PolarHBondContact O-N 3.45Å; T192-V195 PolarHBondContact O-N 3.49Å; T192-H196 PolarHBondContact O-N 3.36Å; T192-H196 PolarHBondContact O-ND1 3.46Å; T192-H196 PolarHBondContact OG1-CE1 2.98Å; T192-H196 VanDerWaalsContact OG1-CE1 3.3Å; T192-H196 PolarHBondContact OG1-ND1 3.21Å
193V88.4Confident79.3Confident0 Ų052.9 Ų52.90%025%0.248CC..Hα-helixtrans-58.7-50.5178.2-177.60000109.8L177 L178 W182 A190 N191 V195 H196 I197 Y222L177-V193 HydrophobicContact CB-CG1 4.17Å; L177-V193 HydrophobicContact CB-CG2 4.32Å; L177-V193 HydrophobicContact CD1-CG1 3.7Å; L178-V193 HydrophobicContact CB-CG2 4.41Å; L178-V193 HydrophobicContact CD1-CG2 4.26Å; W182-V193 HydrophobicContact CE3-CG2 4.37Å; W182-V193 HydrophobicContact CH2-CG2 4.22Å; W182-V193 HydrophobicContact CZ3-CG2 3.77Å; A190-V193 PolarHBondContact O-N 2.77Å; N191-V193 PolarHBondContact O-N 3.12Å; V193-V195 PolarHBondContact O-N 2.88Å; V193-H196 PolarHBondContact O-N 2.93Å; V193-I197 HydrophobicContact CG1-CG1 4.13Å; V193-I197 WeakPolarHBondContact O-CG1 3.37Å; V193-I197 PolarHBondContact O-N 3.48Å; V193-Y222 HydrophobicContact CG1-CD2 4Å; V193-Y222 HydrophobicContact CG1-CE2 3.75Å
194N88.8Confident80.2Confident41 Ų4153 Ų5322%0.21925%0.247CC..Hα-helixtrans-56.7-41.5-177.3-55-18.3000112K174 N191 T192 I197 H198 Y222K174-N194 VanDerWaalsContact CE-OD1 3.28Å; K174-N194 WeakPolarHBondContact CE-OD1 3.2Å; K174-N194 PolarHBondContact NZ-ND2 3.37Å; K174-N194 PolarHBondContact NZ-OD1 3.45Å; N191-N194 WeakPolarHBondContact O-CB 3.3Å; N191-N194 PolarHBondContact O-N 3.02Å; N191-N194 VanDerWaalsContact O-N 3.11Å; N191-N194 PolarHBondContact OD1-ND2 3.39Å; T192-N194 PolarHBondContact O-N 3.45Å; N194-I197 PolarHBondContact O-N 2.9Å; N194-H198 WeakPolarHBondContact O-CB 3.49Å; N194-H198 PolarHBondContact O-N 2.73Å; N194-Y222 PolarHBondContact OD1-OH 3.33Å
195V86.3Confident81.6Confident19 Ų1952 Ų5212%0.11525%0.247CC..Hα-helixtrans-69.5-43.7-177.5174.10000110.9L91 T92 N191 T192 V193 H198 R199L91-V195 WeakPolarHBondContact O-CB 3.45Å; L91-V195 VanDerWaalsContact O-CG1 3.29Å; L91-V195 WeakPolarHBondContact O-CG1 3.41Å; L91-V195 WeakPolarHBondContact O-CG2 3.46Å; T92-V195 HydrophobicContact CG2-CG2 4.21Å; T92-V195 VanDerWaalsContact O-CG1 3.27Å; T92-V195 WeakPolarHBondContact O-CG1 3.27Å; N191-V195 WeakPolarHBondContact O-CG2 3.36Å; N191-V195 PolarHBondContact O-N 3Å; T192-V195 PolarHBondContact O-N 3.49Å; V193-V195 PolarHBondContact O-N 2.88Å; V195-H198 PolarHBondContact O-N 2.85Å; V195-R199 WeakPolarHBondContact O-CG 3.38Å; V195-R199 PolarHBondContact O-N 3.03Å
196H91.4Very high83.1Confident0 Ų055 Ų550%026%0.255CS..Hα-helixtrans-64.8-40.8176.3-71.979.5000111.2R154 L160 W182 T192 V193 H198 R199 I200R154-H196 PolarHBondContact NH2-NE2 3.35Å; L160-H196 HydrophobicContact CD2-CB 3.52Å; W182-H196 HydrophobicContact CH2-CB 4.2Å; W182-H196 HydrophobicContact CZ2-CB 4.36Å; W182-H196 AromaticContact CZ2-CE1 3.69Å; W182-H196 AromaticContact CZ2-CG 3.73Å; W182-H196 AromaticContact CZ2-ND1 3.5Å; W182-H196 WeakPolarHBondContact CZ2-ND1 3.4Å; T192-H196 PolarHBondContact O-N 3.36Å; T192-H196 PolarHBondContact O-ND1 3.46Å; T192-H196 PolarHBondContact OG1-CE1 2.98Å; T192-H196 VanDerWaalsContact OG1-CE1 3.3Å; T192-H196 PolarHBondContact OG1-ND1 3.21Å; V193-H196 PolarHBondContact O-N 2.93Å; H196-H198 VanDerWaalsContact C-N 3.34Å; H196-H198 PolarHBondContact O-N 3.3Å; H196-R199 PolarHBondContact O-N 2.96Å; H196-I200 WeakPolarHBondContact O-CD1 3.39Å; H196-I200 WeakPolarHBondContact O-CG1 3.49Å; H196-I200 PolarHBondContact O-N 2.86Å
197I94.3Very high84.8Confident0 Ų057.9 Ų57.90%027%0.269CS..Hα-helixtrans-59-46.3173.6-63-72.8000111.1L160 L164 V193 N194 R199 I200 R201 I214 Y222L160-I197 HydrophobicContact CD1-CD1 4.35Å; L160-I197 HydrophobicContact CD2-CD1 3.68Å; L160-I197 HydrophobicContact CD2-CG1 3.94Å; L160-I197 HydrophobicContact CG-CD1 4.09Å; L164-I197 HydrophobicContact CD1-CD1 3.62Å; V193-I197 HydrophobicContact CG1-CG1 4.13Å; V193-I197 WeakPolarHBondContact O-CG1 3.37Å; V193-I197 PolarHBondContact O-N 3.48Å; N194-I197 PolarHBondContact O-N 2.9Å; I197-R199 PolarHBondContact O-N 2.94Å; I197-I200 PolarHBondContact O-N 3.22Å; I197-R201 WeakPolarHBondContact O-CG 3.25Å; I197-R201 PolarHBondContact O-N 3.19Å; I197-I214 HydrophobicContact CD1-CD1 4Å; I197-I214 HydrophobicContact CD1-CG2 3.88Å; I197-I214 HydrophobicContact CG2-CB 4.43Å; I197-I214 HydrophobicContact CG2-CG2 4.1Å; I197-Y222 HydrophobicContact CB-CE1 4.2Å; I197-Y222 HydrophobicContact CD1-CD1 4.15Å; I197-Y222 HydrophobicContact CD1-CD2 4.2Å; I197-Y222 HydrophobicContact CD1-CG 3.96Å; I197-Y222 HydrophobicContact CG1-CD1 4.08Å; I197-Y222 HydrophobicContact CG1-CD2 4.07Å; I197-Y222 HydrophobicContact CG1-CE1 4Å; I197-Y222 HydrophobicContact CG1-CE2 3.98Å; I197-Y222 HydrophobicContact CG1-CG 4.11Å; I197-Y222 HydrophobicContact CG2-CD1 3.92Å; I197-Y222 HydrophobicContact CG2-CE1 3.72Å
198H92.5Very high86.6Confident103 Ų10354.2 Ų54.248%0.47727%0.269SS..Hα-helixtrans-59.8-46.7178.8179.449.2000111.7N194 V195 H196 I200 R201 E202N194-H198 WeakPolarHBondContact O-CB 3.49Å; N194-H198 PolarHBondContact O-N 2.73Å; V195-H198 PolarHBondContact O-N 2.85Å; H196-H198 VanDerWaalsContact C-N 3.34Å; H196-H198 PolarHBondContact O-N 3.3Å; H198-I200 PolarHBondContact O-N 2.95Å; H198-R201 WeakPolarHBondContact O-CB 3.44Å; H198-R201 PolarHBondContact O-N 2.85Å; H198-E202 IonicContact CE1-OE1 3.38Å; H198-E202 PolarHBondContact CE1-OE1 3.5Å; H198-E202 IonicContact NE2-OE1 3.22Å; H198-E202 PolarHBondContact NE2-OE1 3.31Å; H198-E202 WeakPolarHBondContact O-CG 3.12Å; H198-E202 PolarHBondContact O-N 3.21Å
199R91.4Very high88.4Confident34 Ų3447.7 Ų47.713%0.12824%0.239CC..Hα-helixtrans-63.5-40.7177.5-73.2-179.6178.9177.24.3113.6T92 L93 E157 V195 H196 I197 R201 E202 K203T92-R199 PolarHBondContact O-NH2 3.32Å; L93-R199 PolarHBondContact O-NH1 2.94Å; L93-R199 PolarHBondContact O-NH2 3.23Å; E157-R199 WeakPolarHBondContact OE1-CD 3.21Å; V195-R199 WeakPolarHBondContact O-CG 3.38Å; V195-R199 PolarHBondContact O-N 3.03Å; H196-R199 PolarHBondContact O-N 2.96Å; I197-R199 PolarHBondContact O-N 2.94Å; R199-R201 VanDerWaalsContact C-N 3.31Å; R199-E202 PolarHBondContact O-N 2.85Å; R199-K203 WeakPolarHBondContact O-CB 3.34Å; R199-K203 VanDerWaalsContact O-CG 3.28Å; R199-K203 WeakPolarHBondContact O-CG 3.27Å; R199-K203 PolarHBondContact O-N 3.33Å
200I95.9Very high89.8Confident0 Ų051 Ų510%026%0.26CS..Hα-helixtrans-60.1-46.9176.1-69160000109.4M153 E157 L160 L161 H196 I197 H198 K203 L204 I214M153-I200 HydrophobicContact CE-CG2 4.22Å; E157-I200 HydrophobicContact CB-CD1 4.36Å; E157-I200 HydrophobicContact CB-CG1 3.91Å; E157-I200 HydrophobicContact CG-CG1 4.38Å; E157-I200 WeakPolarHBondContact O-CD1 3.11Å; L160-I200 HydrophobicContact CB-CD1 4.05Å; L160-I200 HydrophobicContact CD2-CD1 3.77Å; L160-I200 HydrophobicContact CG-CD1 3.97Å; L161-I200 HydrophobicContact CB-CD1 4.2Å; L161-I200 HydrophobicContact CB-CG2 4.34Å; L161-I200 HydrophobicContact CD1-CG2 4.01Å; L161-I200 HydrophobicContact CD2-CG2 4.2Å; L161-I200 HydrophobicContact CG-CG2 4.38Å; H196-I200 WeakPolarHBondContact O-CD1 3.39Å; H196-I200 WeakPolarHBondContact O-CG1 3.49Å; H196-I200 PolarHBondContact O-N 2.86Å; I197-I200 PolarHBondContact O-N 3.22Å; H198-I200 PolarHBondContact O-N 2.95Å; I200-K203 PolarHBondContact O-N 2.92Å; I200-L204 HydrophobicContact CG2-CD1 3.96Å; I200-L204 HydrophobicContact CG2-CG 4.43Å; I200-L204 WeakPolarHBondContact O-CG 3.31Å; I200-L204 PolarHBondContact O-N 2.82Å; I200-I214 HydrophobicContact CB-CD1 4.28Å; I200-I214 HydrophobicContact CD1-CD1 4.39Å; I200-I214 HydrophobicContact CG2-CD1 3.71Å
201R95.5Very high91.1Very high56 Ų5650.9 Ų50.921%0.21126%0.255CS..Hα-helixtrans-59-50.5176.2-70.8174.9-178.8154.60111.6I197 H198 R199 K203 L204 E205 I214 T216I197-R201 WeakPolarHBondContact O-CG 3.25Å; I197-R201 PolarHBondContact O-N 3.19Å; H198-R201 WeakPolarHBondContact O-CB 3.44Å; H198-R201 PolarHBondContact O-N 2.85Å; R199-R201 VanDerWaalsContact C-N 3.31Å; R201-K203 VanDerWaalsContact C-N 3.29Å; R201-K203 PolarHBondContact O-N 2.95Å; R201-L204 PolarHBondContact O-N 3.25Å; R201-E205 VanDerWaalsContact O-CB 3.31Å; R201-E205 WeakPolarHBondContact O-CB 3.49Å; R201-E205 VanDerWaalsContact O-CG 3.27Å; R201-E205 WeakPolarHBondContact O-CG 3.39Å; R201-E205 PolarHBondContact O-N 2.81Å; R201-I214 PolarHBondContact NE-O 2.96Å; R201-I214 PolarHBondContact NH2-O 2.64Å; R201-T216 PolarHBondContact NH2-OG1 2.92Å
202E93.7Very high92.1Very high97 Ų9749.3 Ų49.345%0.45325%0.245SC..Hα-helixtrans-57-42.1178.3-72.8-176.3145.600112.5H198 R199 K206H198-E202 IonicContact CE1-OE1 3.38Å; H198-E202 PolarHBondContact CE1-OE1 3.5Å; H198-E202 IonicContact NE2-OE1 3.22Å; H198-E202 PolarHBondContact NE2-OE1 3.31Å; H198-E202 WeakPolarHBondContact O-CG 3.12Å; H198-E202 PolarHBondContact O-N 3.21Å; R199-E202 PolarHBondContact O-N 2.85Å; E202-K206 VanDerWaalsContact O-CB 3.26Å; E202-K206 WeakPolarHBondContact O-CB 3.26Å; E202-K206 PolarHBondContact O-N 2.99Å
203K94.6Very high92.8Very high56 Ų5651.1 Ų51.124%0.24326%0.256CS..Hα-helixtrans-66.3-42.6178.8-74.7179.8175.5-164.30112.2V151 P152 M153 E157 R199 I200 R201 E207V151-K203 HydrophobicContact CG1-CB 4.13Å; P152-K203 WeakPolarHBondContact O-CD 3.42Å; P152-K203 WeakPolarHBondContact O-CE 3.48Å; P152-K203 PolarHBondContact O-NZ 2.94Å; M153-K203 HydrophobicContact CE-CB 4.23Å; M153-K203 HydrophobicContact CG-CD 4.04Å; E157-K203 WeakPolarHBondContact OE2-CE 3.36Å; E157-K203 IonicContact OE2-NZ 2.65Å; E157-K203 PolarHBondContact OE2-NZ 2.89Å; R199-K203 WeakPolarHBondContact O-CB 3.34Å; R199-K203 VanDerWaalsContact O-CG 3.28Å; R199-K203 WeakPolarHBondContact O-CG 3.27Å; R199-K203 PolarHBondContact O-N 3.33Å; I200-K203 PolarHBondContact O-N 2.92Å; R201-K203 VanDerWaalsContact C-N 3.29Å; R201-K203 PolarHBondContact O-N 2.95Å; K203-E207 PolarHBondContact O-N 2.93Å
204L95.2Very high93.2Very high7 Ų751.3 Ų51.34%0.03726%0.257CS..Hα-helixtrans-70-42.1177.4-67.2177.8000111.9L135 V146 M153 I200 R201 K206 E207 S208 F209L135-L204 HydrophobicContact CD1-CD2 3.88Å; V146-L204 HydrophobicContact CG2-CD2 4.06Å; M153-L204 HydrophobicContact CE-CD2 3.9Å; M153-L204 HydrophobicContact CE-CG 4.07Å; I200-L204 HydrophobicContact CG2-CD1 3.96Å; I200-L204 HydrophobicContact CG2-CG 4.43Å; I200-L204 WeakPolarHBondContact O-CG 3.31Å; I200-L204 PolarHBondContact O-N 2.82Å; R201-L204 PolarHBondContact O-N 3.25Å; L204-K206 VanDerWaalsContact C-N 3.31Å; L204-K206 PolarHBondContact O-N 3.02Å; L204-E207 CarbonylContact O-C 3.58Å; L204-E207 PolarHBondContact O-N 3.22Å; L204-E207 VanDerWaalsContact O-N 3.14Å; L204-S208 PolarHBondContact O-N 3.24Å; L204-F209 HydrophobicContact CB-CB 4.45Å; L204-F209 HydrophobicContact CB-CD1 4.24Å; L204-F209 HydrophobicContact CD1-CD1 4.28Å; L204-F209 HydrophobicContact CD2-CD1 4.2Å; L204-F209 HydrophobicContact CG-CD1 4.47Å; L204-F209 WeakPolarHBondContact O-CB 3.45Å; L204-F209 PolarHBondContact O-N 2.8Å
205E92.4Very high93.5Very high116 Ų11651.4 Ų51.454%0.54226%0.259SS..Hα-helixtrans-61.6-38.9176.1-75.5172.3-164.200111.8R201 E207 S208R201-E205 VanDerWaalsContact O-CB 3.31Å; R201-E205 WeakPolarHBondContact O-CB 3.49Å; R201-E205 VanDerWaalsContact O-CG 3.27Å; R201-E205 WeakPolarHBondContact O-CG 3.39Å; R201-E205 PolarHBondContact O-N 2.81Å; E205-E207 PolarHBondContact O-N 3.38Å; E205-S208 WeakPolarHBondContact O-CA 3.49Å; E205-S208 PolarHBondContact O-N 2.93Å
206K93.2Very high94Very high169 Ų16952.4 Ų52.474%0.73527%0.265SS*.Hα-helixtrans-60.2-31.7175.7-175.6-179.5175.2-170.90112.8E202 L204 S208E202-K206 VanDerWaalsContact O-CB 3.26Å; E202-K206 WeakPolarHBondContact O-CB 3.26Å; E202-K206 PolarHBondContact O-N 2.99Å; L204-K206 VanDerWaalsContact C-N 3.31Å; L204-K206 PolarHBondContact O-N 3.02Å; K206-S208 PolarHBondContact O-N 3.48Å
207E92.7Very high94.1Very high68 Ų6854.1 Ų54.132%0.31828%0.276SS..THydrogen-bonded Turntrans-87.512.1174.5-58.3-57.5140.600112.6V146 V151 K203 L204 E205 F209V146-E207 HydrophobicContact CB-CB 4.08Å; V146-E207 HydrophobicContact CG1-CB 3.96Å; V146-E207 HydrophobicContact CG2-CB 4.33Å; V151-E207 HydrophobicContact CG1-CG 4.11Å; V151-E207 HydrophobicContact CG2-CG 3.75Å; K203-E207 PolarHBondContact O-N 2.93Å; L204-E207 CarbonylContact O-C 3.58Å; L204-E207 PolarHBondContact O-N 3.22Å; L204-E207 VanDerWaalsContact O-N 3.14Å; E205-E207 PolarHBondContact O-N 3.38Å; E207-F209 PolarHBondContact O-N 2.6Å; E207-F209 VanDerWaalsContact O-N 3.12Å
208S91.9Very high93.9Very high99 Ų9965 Ų6569%0.69232%0.317SS*.THydrogen-bonded Turntrans56.123-175.9-53.40000113.9L204 E205 K206 T210L204-S208 PolarHBondContact O-N 3.24Å; E205-S208 WeakPolarHBondContact O-CA 3.49Å; E205-S208 PolarHBondContact O-N 2.93Å; K206-S208 PolarHBondContact O-N 3.48Å; S208-T210 PolarHBondContact O-N 3.02Å
209F92.9Very high93.7Very high7 Ų764.3 Ų64.33%0.03134%0.338CS..  trans-83.4103.9175.1-177.1-104.2000110E134 L135 V146 L204 E207 Y212E134-F209 HydrophobicContact CB-CD2 4.14Å; E134-F209 HydrophobicContact CB-CE2 4.21Å; L135-F209 HydrophobicContact CB-CD1 4.36Å; L135-F209 HydrophobicContact CB-CD2 4.16Å; L135-F209 HydrophobicContact CB-CE1 3.75Å; L135-F209 HydrophobicContact CB-CE2 3.52Å; L135-F209 HydrophobicContact CB-CZ 3.28Å; L135-F209 HydrophobicContact CD2-CD1 4.4Å; L135-F209 HydrophobicContact CD2-CE1 3.61Å; L135-F209 HydrophobicContact CD2-CZ 3.88Å; L135-F209 HydrophobicContact CG-CE1 4.2Å; L135-F209 HydrophobicContact CG-CZ 4.17Å; V146-F209 HydrophobicContact CG1-CB 3.81Å; V146-F209 HydrophobicContact CG1-CD2 4.31Å; V146-F209 HydrophobicContact CG1-CG 4.38Å; V146-F209 HydrophobicContact CG2-CB 3.94Å; V146-F209 HydrophobicContact CG2-CG 4.17Å; L204-F209 HydrophobicContact CB-CB 4.45Å; L204-F209 HydrophobicContact CB-CD1 4.24Å; L204-F209 HydrophobicContact CD1-CD1 4.28Å; L204-F209 HydrophobicContact CD2-CD1 4.2Å; L204-F209 HydrophobicContact CG-CD1 4.47Å; L204-F209 WeakPolarHBondContact O-CB 3.45Å; L204-F209 PolarHBondContact O-N 2.8Å; E207-F209 PolarHBondContact O-N 2.6Å; E207-F209 VanDerWaalsContact O-N 3.12Å; F209-Y212 HydrophobicContact CZ-CD2 4.2Å; F209-Y212 HydrophobicContact CZ-CG 4.41Å
210T91.2Very high93.7Very high96 Ų9668 Ų6859%0.58936%0.36SS*.  trans-121.9-3.7-178.158.10000113.2S208 Y212 S227S208-T210 PolarHBondContact O-N 3.02Å; T210-Y212 VanDerWaalsContact C-N 3.29Å; T210-Y212 PolarHBondContact O-N 3.09Å; T210-S227 WeakPolarHBondContact O-CB 3.02Å; T210-S227 PolarHBondContact O-OG 3.31Å
211T93.4Very high93.6Very high38 Ų3868.3 Ų68.323%0.23336%0.362CS..SBendtrans-62.9-36.5-177.9-43.60000112.5D133 E134 R226 S227D133-T211 HydrophobicContact CB-CG2 4.26Å; D133-T211 WeakPolarHBondContact OD2-CG2 3.29Å; E134-T211 PolarHBondContact OE2-OG1 3.14Å; E134-T211 VanDerWaalsContact OE2-OG1 3.06Å; T211-R226 VanDerWaalsContact O-CG 3.24Å; T211-R226 WeakPolarHBondContact O-CG 3.24Å; T211-S227 PolarHBondContact O-N 2.86Å
212Y96.3Very high93.7Very high28 Ų2866.2 Ų66.211%0.1136%0.355CS..EExtended strand (participates in β ladder)trans-123.3151.8172.2-79.7-104.3000110.4F132 E168 F209 T210 F224 E225 R226F132-Y212 HydrophobicContact CB-CD1 4.49Å; F132-Y212 HydrophobicContact CB-CD2 3.83Å; F132-Y212 HydrophobicContact CB-CE1 4.5Å; F132-Y212 HydrophobicContact CB-CE2 3.86Å; F132-Y212 HydrophobicContact CB-CG 4.17Å; F132-Y212 HydrophobicContact CD1-CD1 4.27Å; F132-Y212 AromaticContact CD1-CE1 3.81Å; F132-Y212 HydrophobicContact CD1-CE1 3.81Å; F132-Y212 HydrophobicContact CD1-CE2 4.42Å; F132-Y212 AromaticContact CD1-CZ 3.9Å; F132-Y212 HydrophobicContact CG-CE1 4.47Å; E168-Y212 HydrophobicContact CG-CE1 4.21Å; E168-Y212 VanDerWaalsContact OE1-CE1 3.29Å; E168-Y212 WeakPolarHBondContact OE1-CE1 3.42Å; E168-Y212 PolarHBondContact OE1-OH 2.75Å; F209-Y212 HydrophobicContact CZ-CD2 4.2Å; F209-Y212 HydrophobicContact CZ-CG 4.41Å; T210-Y212 VanDerWaalsContact C-N 3.29Å; T210-Y212 PolarHBondContact O-N 3.09Å; Y212-F224 HydrophobicContact CD1-CD1 4.11Å; Y212-F224 AromaticContact CD1-CE1 3.43Å; Y212-F224 HydrophobicContact CD1-CE1 3.43Å; Y212-F224 VanDerWaalsContact CD1-CE1 3.43Å; Y212-F224 AromaticContact CD1-CZ 3.68Å; Y212-F224 HydrophobicContact CD1-CZ 3.68Å; Y212-F224 HydrophobicContact CE1-CE1 4.06Å; Y212-F224 HydrophobicContact CG-CE1 4.09Å; Y212-F224 AromaticContact CG-CZ 3.88Å; Y212-F224 HydrophobicContact CG-CZ 3.88Å; Y212-E225 WeakPolarHBondContact CA-O 3.14Å; Y212-E225 WeakPolarHBondContact CD1-O 3.38Å; Y212-R226 HydrophobicContact CD1-CB 4.38Å; Y212-R226 HydrophobicContact CD2-CG 4.42Å; Y212-R226 HydrophobicContact CE1-CB 4.03Å; Y212-R226 HydrophobicContact CE2-CB 4.43Å; Y212-R226 HydrophobicContact CE2-CG 4.1Å
213T95.9Very high93.9Very high40 Ų4063.2 Ų63.225%0.24534%0.34CS..EExtended strand (participates in β ladder)trans-142.6162.1174.9-166.50000110.8E225T213-E225 PolarHBondContact N-O 3.43Å; T213-E225 PolarHBondContact O-N 3.14Å; T213-E225 VanDerWaalsContact O-O 3.13Å
214I97.7Very high94Very high3 Ų360.5 Ų60.52%0.01533%0.329CS..EExtended strand (participates in β ladder)trans-89.3112.3163.1-57.4168.1000106.3L161 L164 I197 I200 R201 Y222 K223 F224L161-I214 HydrophobicContact CD1-CD1 4.06Å; L161-I214 HydrophobicContact CD1-CG1 4.43Å; L164-I214 HydrophobicContact CD1-CD1 3.95Å; L164-I214 HydrophobicContact CD1-CG1 4.27Å; L164-I214 HydrophobicContact CD1-CG2 3.95Å; I197-I214 HydrophobicContact CD1-CD1 4Å; I197-I214 HydrophobicContact CD1-CG2 3.88Å; I197-I214 HydrophobicContact CG2-CB 4.43Å; I197-I214 HydrophobicContact CG2-CG2 4.1Å; I200-I214 HydrophobicContact CB-CD1 4.28Å; I200-I214 HydrophobicContact CD1-CD1 4.39Å; I200-I214 HydrophobicContact CG2-CD1 3.71Å; R201-I214 PolarHBondContact NE-O 2.96Å; R201-I214 PolarHBondContact NH2-O 2.64Å; I214-Y222 HydrophobicContact CG2-CD1 4.06Å; I214-Y222 HydrophobicContact CG2-CG 4.35Å; I214-K223 CarbonylContact C-O 3.46Å; I214-K223 WeakPolarHBondContact CA-O 3.38Å; I214-F224 HydrophobicContact CG1-CD2 4.01Å
215T96Very high94.1Very high44 Ų4461.2 Ų61.227%0.2733%0.332SS..EExtended strand (participates in β ladder)trans-84.8138.4175.6-59.50000110.6Y222 K223 E225T215-Y222 WeakPolarHBondContact O-CA 3.21Å; T215-K223 PolarHBondContact N-O 2.89Å; T215-K223 PolarHBondContact O-N 3.45Å; T215-E225 WeakPolarHBondContact CB-OE1 3.49Å; T215-E225 PolarHBondContact OG1-OE1 3.4Å
216T95.9Very high94.2Very high40 Ų4062.7 Ų62.725%0.24533%0.332CS..EExtended strand (participates in β ladder)trans-80.8116.5166.6-550000108.7R201 W218 Y222R201-T216 PolarHBondContact NH2-OG1 2.92Å; T216-W218 HydrophobicContact CG2-CD2 4.36Å; T216-W218 HydrophobicContact CG2-CE3 4.47Å; T216-Y222 HydrophobicContact CG2-CE1 4.17Å
217V93.9Very high94Very high35 Ų3556.8 Ų56.821%0.21231%0.312CS..EExtended strand (participates in β ladder)trans-96.497.9173.1-170.60000107.8V171 G219 L220 G221 K223V171-V217 HydrophobicContact CG1-CB 3.91Å; V171-V217 HydrophobicContact CG1-CG1 4.15Å; V171-V217 HydrophobicContact CG1-CG2 4.05Å; V171-V217 HydrophobicContact CG2-CG1 4.38Å; V171-V217 HydrophobicContact CG2-CG2 4.03Å; V217-G219 PolarHBondContact O-N 3.12Å; V217-L220 HydrophobicContact CB-CB 4.27Å; V217-L220 HydrophobicContact CG1-CB 3.92Å; V217-L220 HydrophobicContact CG1-CD1 3.78Å; V217-L220 HydrophobicContact CG1-CG 4.22Å; V217-L220 PolarHBondContact O-N 2.91Å; V217-G221 PolarHBondContact N-O 3.12Å; V217-G221 PolarHBondContact O-N 3.05Å; V217-K223 HydrophobicContact CG2-CB 3.96Å
218W90.3Very high93.2Very high228 Ų22867.5 Ų67.586%0.86435%0.35SS*.THydrogen-bonded Turntrans-51.4128.7-172.8-64.2102.1000112.5T216 L220T216-W218 HydrophobicContact CG2-CD2 4.36Å; T216-W218 HydrophobicContact CG2-CE3 4.47Å; W218-L220 PolarHBondContact O-N 3.06Å
219G88.1Confident93.3Very high90 Ų9066 Ų6693%0.92833%0.332SS*.THydrogen-bonded Turntrans76.7-11.4-177.900000115.6V217V217-G219 PolarHBondContact O-N 3.12Å
220L90.5Very high93.3Very high112 Ų11269.1 Ų69.159%0.58635%0.348SS*.THydrogen-bonded Turntrans-113.5-44-176.5-60.8179.9000112.8V171 S173 V217 W218V171-L220 HydrophobicContact CG1-CB 3.65Å; S173-L220 VanDerWaalsContact CA-O 3.31Å; S173-L220 WeakPolarHBondContact CA-O 3.34Å; V217-L220 HydrophobicContact CB-CB 4.27Å; V217-L220 HydrophobicContact CG1-CB 3.92Å; V217-L220 HydrophobicContact CG1-CD1 3.78Å; V217-L220 HydrophobicContact CG1-CG 4.22Å; V217-L220 PolarHBondContact O-N 2.91Å; W218-L220 PolarHBondContact O-N 3.06Å
221G94.2Very high93.5Very high5 Ų567.6 Ų67.65%0.05234%0.335CS..EExtended strand (participates in β ladder)trans146-132.2-179.900000113.3I172 V217I172-G221 WeakPolarHBondContact O-CA 3.06Å; V217-G221 PolarHBondContact N-O 3.12Å; V217-G221 PolarHBondContact O-N 3.05Å
222Y97.4Very high93.5Very high12 Ų1269.3 Ų69.35%0.04734%0.341CS..EExtended strand (participates in β ladder)trans-127.7150.3-175.9-64.1-77.8000111.3I172 K174 L177 V193 N194 I197 I214 T215 T216I172-Y222 PolarHBondContact N-O 3.43Å; I172-Y222 PolarHBondContact O-N 3.02Å; K174-Y222 HydrophobicContact CD-CE2 4.25Å; K174-Y222 HydrophobicContact CG-CD2 4.36Å; K174-Y222 HydrophobicContact CG-CE2 3.97Å; L177-Y222 HydrophobicContact CD1-CD2 3.73Å; L177-Y222 HydrophobicContact CD1-CG 4.42Å; V193-Y222 HydrophobicContact CG1-CD2 4Å; V193-Y222 HydrophobicContact CG1-CE2 3.75Å; N194-Y222 PolarHBondContact OD1-OH 3.33Å; I197-Y222 HydrophobicContact CB-CE1 4.2Å; I197-Y222 HydrophobicContact CD1-CD1 4.15Å; I197-Y222 HydrophobicContact CD1-CD2 4.2Å; I197-Y222 HydrophobicContact CD1-CG 3.96Å; I197-Y222 HydrophobicContact CG1-CD1 4.08Å; I197-Y222 HydrophobicContact CG1-CD2 4.07Å; I197-Y222 HydrophobicContact CG1-CE1 4Å; I197-Y222 HydrophobicContact CG1-CE2 3.98Å; I197-Y222 HydrophobicContact CG1-CG 4.11Å; I197-Y222 HydrophobicContact CG2-CD1 3.92Å; I197-Y222 HydrophobicContact CG2-CE1 3.72Å; I214-Y222 HydrophobicContact CG2-CD1 4.06Å; I214-Y222 HydrophobicContact CG2-CG 4.35Å; T215-Y222 WeakPolarHBondContact O-CA 3.21Å; T216-Y222 HydrophobicContact CG2-CE1 4.17Å
223K97.1Very high93.3Very high34 Ų3471.9 Ų71.915%0.14836%0.355CS..EExtended strand (participates in β ladder)trans-140.1129.1178.8175.7173.360.4144.50109.3N169 E170 V171 I214 T215 V217 E225N169-K223 VanDerWaalsContact O-CD 3.25Å; N169-K223 WeakPolarHBondContact O-CD 3.29Å; E170-K223 WeakPolarHBondContact O-CG 3.44Å; V171-K223 HydrophobicContact CG2-CB 4.38Å; V171-K223 HydrophobicContact CG2-CD 4.06Å; I214-K223 CarbonylContact C-O 3.46Å; I214-K223 WeakPolarHBondContact CA-O 3.38Å; T215-K223 PolarHBondContact N-O 2.89Å; T215-K223 PolarHBondContact O-N 3.45Å; V217-K223 HydrophobicContact CG2-CB 3.96Å; K223-E225 WeakPolarHBondContact CE-OE1 3.38Å; K223-E225 WeakPolarHBondContact CE-OE2 3.1Å; K223-E225 HydrophobicContact CG-CB 4.31Å; K223-E225 IonicContact NZ-OE1 3.09Å; K223-E225 PolarHBondContact NZ-OE1 3.37Å; K223-E225 VanDerWaalsContact NZ-OE1 3.09Å; K223-E225 IonicContact NZ-OE2 2.6Å; K223-E225 PolarHBondContact NZ-OE2 2.63Å
224F98.3Very high93.1Very high0 Ų074 Ų740%036%0.363CS..EExtended strand (participates in β ladder)trans-86.1122.4168.4-178-95.5000108.8F132 L135 L161 L164 A165 E168 N169 Y212 I214F132-F224 HydrophobicContact CB-CZ 4.46Å; F132-F224 AromaticContact CD1-CE1 3.73Å; F132-F224 HydrophobicContact CD1-CE1 3.73Å; F132-F224 HydrophobicContact CD1-CZ 4.42Å; F132-F224 AromaticContact CD2-CE1 3.81Å; F132-F224 HydrophobicContact CD2-CE1 3.81Å; F132-F224 AromaticContact CD2-CZ 3.93Å; F132-F224 HydrophobicContact CD2-CZ 3.93Å; F132-F224 HydrophobicContact CE1-CD1 4.44Å; F132-F224 AromaticContact CE1-CE1 3.75Å; F132-F224 HydrophobicContact CE1-CE1 3.75Å; F132-F224 AromaticContact CE2-CE1 3.83Å; F132-F224 HydrophobicContact CE2-CE1 3.83Å; F132-F224 HydrophobicContact CE2-CZ 4.27Å; F132-F224 AromaticContact CG-CE1 3.76Å; F132-F224 HydrophobicContact CG-CE1 3.76Å; F132-F224 HydrophobicContact CG-CZ 4.01Å; F132-F224 HydrophobicContact CZ-CD1 4.42Å; F132-F224 AromaticContact CZ-CE1 3.81Å; F132-F224 HydrophobicContact CZ-CE1 3.81Å; L135-F224 HydrophobicContact CD2-CE2 4.22Å; L135-F224 HydrophobicContact CD2-CZ 3.95Å; L161-F224 HydrophobicContact CD1-CD2 4.07Å; L161-F224 HydrophobicContact CD1-CE2 4Å; L164-F224 HydrophobicContact CB-CB 3.96Å; A165-F224 HydrophobicContact CB-CD1 3.92Å; A165-F224 HydrophobicContact CB-CD2 4.48Å; A165-F224 HydrophobicContact CB-CE1 4Å; A165-F224 HydrophobicContact CB-CG 4.17Å; A165-F224 HydrophobicContact CB-CZ 4.32Å; E168-F224 HydrophobicContact CG-CD1 4.22Å; N169-F224 PolarHBondContact N-O 3.03Å; Y212-F224 HydrophobicContact CD1-CD1 4.11Å; Y212-F224 AromaticContact CD1-CE1 3.43Å; Y212-F224 HydrophobicContact CD1-CE1 3.43Å; Y212-F224 VanDerWaalsContact CD1-CE1 3.43Å; Y212-F224 AromaticContact CD1-CZ 3.68Å; Y212-F224 HydrophobicContact CD1-CZ 3.68Å; Y212-F224 HydrophobicContact CE1-CE1 4.06Å; Y212-F224 HydrophobicContact CG-CE1 4.09Å; Y212-F224 AromaticContact CG-CZ 3.88Å; Y212-F224 HydrophobicContact CG-CZ 3.88Å; I214-F224 HydrophobicContact CG1-CD2 4.01Å
225E96.8Very high92.8Very high22 Ų2279.1 Ų79.110%0.10339%0.388CS..EExtended strand (participates in β ladder)trans-153165.9-177.267.4-178.8140.900111.4Y212 T213 T215 K223 S227Y212-E225 WeakPolarHBondContact CA-O 3.14Å; Y212-E225 WeakPolarHBondContact CD1-O 3.38Å; T213-E225 PolarHBondContact N-O 3.43Å; T213-E225 PolarHBondContact O-N 3.14Å; T213-E225 VanDerWaalsContact O-O 3.13Å; T215-E225 WeakPolarHBondContact CB-OE1 3.49Å; T215-E225 PolarHBondContact OG1-OE1 3.4Å; K223-E225 WeakPolarHBondContact CE-OE1 3.38Å; K223-E225 WeakPolarHBondContact CE-OE2 3.1Å; K223-E225 HydrophobicContact CG-CB 4.31Å; K223-E225 IonicContact NZ-OE1 3.09Å; K223-E225 PolarHBondContact NZ-OE1 3.37Å; K223-E225 VanDerWaalsContact NZ-OE1 3.09Å; K223-E225 IonicContact NZ-OE2 2.6Å; K223-E225 PolarHBondContact NZ-OE2 2.63Å; E225-S227 PolarHBondContact O-N 3.29Å
226R95.1Very high92.5Very high147 Ų14781.8 Ų81.856%0.55540%0.397SS*.EExtended strand (participates in β ladder)trans-63.5133.7171.3-157.1175.4-160-159.36.3110.2D133 T211 Y212D133-R226 IonicContact OD2-NH2 3.4Å; D133-R226 PolarHBondContact OD2-NH2 3.39Å; T211-R226 VanDerWaalsContact O-CG 3.24Å; T211-R226 WeakPolarHBondContact O-CG 3.24Å; Y212-R226 HydrophobicContact CD1-CB 4.38Å; Y212-R226 HydrophobicContact CD2-CG 4.42Å; Y212-R226 HydrophobicContact CE1-CB 4.03Å; Y212-R226 HydrophobicContact CE2-CB 4.43Å; Y212-R226 HydrophobicContact CE2-CG 4.1Å
227S88.5Confident92.2Very high44 Ų4485.3 Ų85.331%0.30841%0.409SS..  trans-64.7142.5177.2-60.70000110.6T210 T211 E225T210-S227 WeakPolarHBondContact O-CB 3.02Å; T210-S227 PolarHBondContact O-OG 3.31Å; T211-S227 PolarHBondContact O-N 2.86Å; E225-S227 PolarHBondContact O-N 3.29Å
228R76.7Confident92.1Very high294 Ų29489.8 Ų89.8100%1.10943%0.427SS*.  trans-85.80179-67.4-175.5-178.1-173-0.8112.4

Retrieved 228 of 228 residues in 672.2 ms (Link to these results)

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