A0A146MIU7_SCHMA Loading...

Meiosis expressed gene 1 protein homolog

AlphaFold DB , UniProt , Accession A0A146MIU7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 85 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
1M51Low84.3Confident194 Ų194114.5 Ų114.596%0.95658%0.579SS**  0132.40-72.7174.7177.200106.7F37M1-F37 HydrophobicContact SD-CE1 3.9Å
2E58Low85.4Confident178 Ų178105.7 Ų105.783%0.83254%0.536SS*.  trans-54.8148.7-177.2-164157-163.200110.2T4E2-T4 PolarHBondContact O-N 2.77Å; E2-T4 PolarHBondContact O-OG1 3.03Å; E2-T4 VanDerWaalsContact O-OG1 3.1Å
3N66.4Low86.3Confident133 Ų133104.3 Ų104.371%0.71154%0.542SS*.  trans-61.379.3177.7-82.9-34.9000109.7K5N3-K5 PolarHBondContact O-N 3.13Å
4T84.7Confident87.1Confident64 Ų64107.1 Ų107.139%0.39355%0.551SS.*  trans-64.4113.7-178.8-37.50000106.2E2 Y85E2-T4 PolarHBondContact O-N 2.77Å; E2-T4 PolarHBondContact O-OG1 3.03Å; E2-T4 VanDerWaalsContact O-OG1 3.1Å; T4-Y85 HydrophobicContact CG2-CD1 3.51Å; T4-Y85 HydrophobicContact CG2-CE1 4.19Å; T4-Y85 HydrophobicContact CG2-CG 4.31Å; T4-Y85 WeakPolarHBondContact O-CE1 3.3Å
5K89.8Confident87.8Confident164 Ų164105.9 Ų105.971%0.71354%0.537SS*.  trans-95.7139.3174.2-68.7179.4-176.6175.50107.2N3N3-K5 PolarHBondContact O-N 3.13Å
6P94.8Very high88.4Confident39 Ų39101.9 Ų101.925%0.25352%0.521SS..  trans-65.3140.5177.227.9-34.2000110.5Y83 V84 Y85P6-Y83 HydrophobicContact CB-CD1 3.75Å; P6-Y83 HydrophobicContact CB-CG 4.22Å; P6-Y83 HydrophobicContact CG-CD1 3.58Å; P6-Y83 HydrophobicContact CG-CE1 4.18Å; P6-Y83 HydrophobicContact CG-CG 4.31Å; P6-V84 CarbonylContact C-O 3.52Å; P6-V84 WeakPolarHBondContact CA-O 3.15Å; P6-V84 VanDerWaalsContact CB-O 3.22Å; P6-V84 WeakPolarHBondContact CB-O 3.34Å; P6-Y85 HydrophobicContact CB-CD1 4.16Å; P6-Y85 HydrophobicContact CB-CE1 3.87Å; P6-Y85 HydrophobicContact CB-CE2 4.34Å; P6-Y85 HydrophobicContact CG-CE1 4.34Å; P6-Y85 VanDerWaalsContact N-CE1 3.33Å
7T95.8Very high88.9Confident110 Ų110100.8 Ų100.868%0.67552%0.521SS*.SBendtrans-81.6-18.9172.9490000112.1V84 Y85T7-V84 PolarHBondContact N-O 3.06Å; T7-V84 PolarHBondContact OG1-O 2.9Å; T7-Y85 WeakPolarHBondContact CG2-OXT 3.08Å; T7-Y85 PolarHBondContact OG1-OXT 3.47Å
8G96.1Very high89.3Confident30 Ų30101.4 Ų101.431%0.30952%0.521SS..EExtended strand (participates in β ladder)trans-156.6168.3179.400000114.2Y83 V84G8-Y83 WeakPolarHBondContact O-CA 3.22Å; G8-V84 PolarHBondContact N-O 2.97Å; G8-V84 VanDerWaalsContact N-O 3.16Å; G8-V84 PolarHBondContact O-N 3.02Å
9M96.5Very high89.7Confident96 Ų9696.2 Ų96.247%0.47349%0.494SS..EExtended strand (participates in β ladder)trans-146.9133.5174.1-178.2-83.3-56.900110.1R11 K81 L82 Y83M9-R11 HydrophobicContact SD-CG 4.38Å; M9-K81 HydrophobicContact CG-CB 3.88Å; M9-K81 HydrophobicContact CG-CD 4.32Å; M9-K81 HydrophobicContact CG-CG 4.27Å; M9-K81 HydrophobicContact SD-CB 3.92Å; M9-K81 HydrophobicContact SD-CD 4.09Å; M9-K81 HydrophobicContact SD-CG 3.78Å; M9-L82 WeakPolarHBondContact CA-O 3.45Å; M9-Y83 HydrophobicContact CB-CD1 3.85Å; M9-Y83 HydrophobicContact CB-CE1 3.88Å; M9-Y83 HydrophobicContact CG-CD1 3.93Å; M9-Y83 HydrophobicContact CG-CE1 3.68Å
10Q97.1Very high90.2Very high117 Ų11791.4 Ų91.455%0.54747%0.47SS..EExtended strand (participates in β ladder)trans-125.5155.8170.462.7-177.9-26.700110.3L82Q10-L82 HydrophobicContact CG-CB 4.01Å; Q10-L82 PolarHBondContact N-O 2.76Å; Q10-L82 PolarHBondContact O-N 3.16Å
11R97.5Very high90.6Very high135 Ų13588.2 Ų88.251%0.50945%0.453SS..EExtended strand (participates in β ladder)trans-91.7142.3172.3-70.1-178.2169.6-73.4-1.6109.6M9 P78 K79 C80M9-R11 HydrophobicContact SD-CG 4.38Å; R11-P78 WeakPolarHBondContact CD-O 3.39Å; R11-P78 PolarHBondContact NH1-O 2.73Å; R11-K79 PolarHBondContact NH1-O 3.03Å; R11-C80 WeakPolarHBondContact CA-O 3.44Å
12A97.7Very high92.8Very high8 Ų879.5 Ų79.57%0.06641%0.412CS..  trans-67.4139.1175.800000111.2V19 I77 P78 C80 L82A12-V19 HydrophobicContact CB-CB 4.28Å; A12-V19 HydrophobicContact CB-CG1 3.8Å; A12-V19 HydrophobicContact CB-CG2 3.43Å; A12-V19 VanDerWaalsContact CB-CG2 3.43Å; A12-I77 HydrophobicContact CB-CG2 3.92Å; A12-P78 WeakPolarHBondContact O-CA 3.17Å; A12-C80 HydrophobicContact CB-CB 4.22Å; A12-C80 PolarHBondContact N-O 3.04Å; A12-L82 HydrophobicContact CB-CD1 4.3Å; A12-L82 HydrophobicContact CB-CG 4.5Å
13S96.7Very high94.7Very high88 Ų8873.2 Ų73.262%0.61538%0.381SS*.SBendtrans-108.3-19.7175.853.10000113.2
14H97.6Very high96.2Very high144 Ų14466.9 Ų66.967%0.66735%0.347SS*.SBendtrans-140.6158.6178.8-9.893.6000109.1
15W98.1Very high96.9Very high89 Ų8964.1 Ų64.134%0.33733%0.33SS..  trans-73.3138.2175.9-17686.9000110.6E20 F52 R70 I77W15-E20 HydrophobicContact CZ2-CB 4.17Å; W15-E20 HydrophobicContact CZ2-CG 4.45Å; W15-E20 PolarHBondContact NE1-OE2 3.31Å; W15-F52 AromaticContact CH2-CZ 3.96Å; W15-F52 HydrophobicContact CH2-CZ 3.96Å; W15-F52 HydrophobicContact CZ2-CE2 4.49Å; W15-F52 AromaticContact CZ2-CZ 3.8Å; W15-F52 HydrophobicContact CZ2-CZ 3.8Å; W15-R70 VanDerWaalsContact CD1-CZ 3.49Å; W15-R70 HydrophobicContact CZ2-CB 3.98Å; W15-R70 HydrophobicContact CZ2-CG 4.01Å; W15-I77 HydrophobicContact CB-CD1 3.76Å; W15-I77 HydrophobicContact CB-CG1 4.34Å
16S96.9Very high97.2Very high41 Ų4159 Ų5929%0.28731%0.308SS..  trans-148.5170.7169.775.50000109.3E18 V19 E20S16-E18 PolarHBondContact O-N 3.46Å; S16-E18 PolarHBondContact OG-N 3.09Å; S16-V19 PolarHBondContact O-N 2.69Å; S16-V19 WeakPolarHBondContact OG-CG2 3.44Å; S16-V19 PolarHBondContact OG-N 3.17Å; S16-E20 PolarHBondContact O-N 3.06Å
17T96.1Very high97.3Very high83 Ų8360.7 Ų60.751%0.50932%0.315SS..Hα-helixtrans-61.4-34.2175.156.50000112.4N21 F52T17-N21 PolarHBondContact O-N 2.84Å; T17-N21 VanDerWaalsContact O-N 3.13Å; T17-F52 HydrophobicContact CG2-CE1 3.73Å; T17-F52 HydrophobicContact CG2-CZ 4.33Å
18E96.7Very high97.3Very high113 Ų11355.8 Ų55.853%0.52829%0.286SS..Hα-helixtrans-65.5-45.6174-171.4-172.2173.700111.2S16 E20 N21 A22 L82S16-E18 PolarHBondContact O-N 3.46Å; S16-E18 PolarHBondContact OG-N 3.09Å; E18-E20 VanDerWaalsContact C-N 3.32Å; E18-E20 PolarHBondContact O-N 3.42Å; E18-N21 PolarHBondContact O-N 2.8Å; E18-A22 WeakPolarHBondContact O-CB 3.34Å; E18-A22 PolarHBondContact O-N 2.87Å; E18-L82 HydrophobicContact CG-CD2 4.11Å
19V97.8Very high97.3Very high2 Ų256.4 Ų56.41%0.01229%0.292CS..Hα-helixtrans-63.8-38.8177.6175.40000111.5A12 S16 A22 Y23 I77 C80 L82A12-V19 HydrophobicContact CB-CB 4.28Å; A12-V19 HydrophobicContact CB-CG1 3.8Å; A12-V19 HydrophobicContact CB-CG2 3.43Å; A12-V19 VanDerWaalsContact CB-CG2 3.43Å; S16-V19 PolarHBondContact O-N 2.69Å; S16-V19 WeakPolarHBondContact OG-CG2 3.44Å; S16-V19 PolarHBondContact OG-N 3.17Å; V19-A22 PolarHBondContact O-N 2.85Å; V19-Y23 WeakPolarHBondContact O-CB 3.23Å; V19-Y23 PolarHBondContact O-N 3.15Å; V19-I77 HydrophobicContact CG1-CG2 4.5Å; V19-C80 HydrophobicContact CG1-CB 4Å; V19-L82 HydrophobicContact CG2-CD1 4.04Å; V19-L82 HydrophobicContact CG2-CD2 4.22Å
20E98.4Very high97.3Very high0 Ų052.1 Ų52.10%027%0.271CS..Hα-helixtrans-60.4-46.1174.9-176.362.1-153.600111.6W15 S16 E18 Y23 R24 F52 E71 C72W15-E20 HydrophobicContact CZ2-CB 4.17Å; W15-E20 HydrophobicContact CZ2-CG 4.45Å; W15-E20 PolarHBondContact NE1-OE2 3.31Å; S16-E20 PolarHBondContact O-N 3.06Å; E18-E20 VanDerWaalsContact C-N 3.32Å; E18-E20 PolarHBondContact O-N 3.42Å; E20-Y23 WeakPolarHBondContact O-CB 3.4Å; E20-Y23 PolarHBondContact O-N 2.82Å; E20-R24 VanDerWaalsContact O-CG 3.31Å; E20-R24 WeakPolarHBondContact O-CG 3.45Å; E20-R24 PolarHBondContact O-N 2.73Å; E20-R24 IonicContact OE1-CZ 2.96Å; E20-R24 IonicContact OE1-NE 2.66Å; E20-R24 PolarHBondContact OE1-NE 3.15Å; E20-R24 VanDerWaalsContact OE1-NE 3.07Å; E20-R24 IonicContact OE1-NH2 3.24Å; E20-R24 PolarHBondContact OE1-NH2 3.27Å; E20-F52 HydrophobicContact CB-CD1 4.46Å; E20-F52 HydrophobicContact CB-CE1 4.22Å; E20-F52 HydrophobicContact CB-CZ 4.49Å; E20-F52 HydrophobicContact CG-CD1 4.07Å; E20-F52 HydrophobicContact CG-CD2 4.11Å; E20-F52 HydrophobicContact CG-CE1 4.06Å; E20-F52 HydrophobicContact CG-CE2 4.11Å; E20-F52 HydrophobicContact CG-CG 4.11Å; E20-F52 HydrophobicContact CG-CZ 4.1Å; E20-E71 PolarHBondContact OE1-N 3.39Å; E20-E71 PolarHBondContact OE2-N 3.4Å; E20-C72 PolarHBondContact OE1-N 3.41Å; E20-C72 WeakPolarHBondContact OE2-CB 3.36Å; E20-C72 PolarHBondContact OE2-N 3.25Å
21N98Very high97.2Very high24 Ų2450.4 Ų50.413%0.12826%0.259CS..Hα-helixtrans-70-40.1177.1-78.2-22.1000111.9T17 E18 Y23 R24 F25 G51 F52 V53T17-N21 PolarHBondContact O-N 2.84Å; T17-N21 VanDerWaalsContact O-N 3.13Å; E18-N21 PolarHBondContact O-N 2.8Å; N21-Y23 VanDerWaalsContact C-N 3.29Å; N21-Y23 PolarHBondContact O-N 2.85Å; N21-R24 WeakPolarHBondContact O-CB 3.42Å; N21-R24 PolarHBondContact O-N 2.98Å; N21-R24 VanDerWaalsContact O-N 3.08Å; N21-F25 HydrophobicContact CB-CD2 4.49Å; N21-F25 HydrophobicContact CB-CE2 4.2Å; N21-F25 WeakPolarHBondContact O-CD2 3.06Å; N21-F25 PolarHBondContact O-N 3.41Å; N21-G51 PolarHBondContact ND2-O 3.38Å; N21-F52 VanDerWaalsContact OD1-CA 3.32Å; N21-F52 WeakPolarHBondContact OD1-CA 3.42Å; N21-V53 HydrophobicContact CB-CG2 4.38Å; N21-V53 PolarHBondContact OD1-N 3.49Å
22A98.2Very high97.2Very high11 Ų1145 Ų459%0.09124%0.24CC..Hα-helixtrans-57.5-43.1174.600000111.7E18 V19 R24 F25 Q26 L82E18-A22 WeakPolarHBondContact O-CB 3.34Å; E18-A22 PolarHBondContact O-N 2.87Å; V19-A22 PolarHBondContact O-N 2.85Å; A22-R24 PolarHBondContact O-N 3.16Å; A22-F25 PolarHBondContact O-N 3.3Å; A22-Q26 VanDerWaalsContact O-CB 3.31Å; A22-Q26 WeakPolarHBondContact O-CB 3.06Å; A22-Q26 VanDerWaalsContact O-CG 3.26Å; A22-Q26 WeakPolarHBondContact O-CG 3.33Å; A22-Q26 PolarHBondContact O-N 3.43Å; A22-Q26 PolarHBondContact O-NE2 3.32Å; A22-L82 HydrophobicContact CB-CD2 3.67Å
23Y98.3Very high97.1Very high47 Ų4747.6 Ų47.618%0.18425%0.251CS..Hα-helixtrans-55.8-48.7172.3173.4-100.2000111.7V19 E20 N21 Q26 L27 E71 C72 D76V19-Y23 WeakPolarHBondContact O-CB 3.23Å; V19-Y23 PolarHBondContact O-N 3.15Å; E20-Y23 WeakPolarHBondContact O-CB 3.4Å; E20-Y23 PolarHBondContact O-N 2.82Å; N21-Y23 VanDerWaalsContact C-N 3.29Å; N21-Y23 PolarHBondContact O-N 2.85Å; Y23-Q26 PolarHBondContact O-N 2.85Å; Y23-L27 HydrophobicContact CE1-CD2 4.45Å; Y23-L27 WeakPolarHBondContact O-CB 3.34Å; Y23-L27 PolarHBondContact O-N 3.31Å; Y23-E71 HydrophobicContact CE1-CB 4.44Å; Y23-C72 HydrophobicContact CD1-CB 4.01Å; Y23-C72 HydrophobicContact CD2-CB 4.27Å; Y23-C72 HydrophobicContact CG-CB 3.8Å; Y23-D76 HydrophobicContact CD2-CB 4.18Å; Y23-D76 HydrophobicContact CE2-CB 3.94Å
24R98.2Very high97.1Very high0 Ų045.9 Ų45.90%024%0.237CC..Hα-helixtrans-63.4-44.2-178.8-66.7171.9-168.3-145.5-2.6112.4E20 N21 A22 L27 A28 V53 L56 F66 N67 N69E20-R24 VanDerWaalsContact O-CG 3.31Å; E20-R24 WeakPolarHBondContact O-CG 3.45Å; E20-R24 PolarHBondContact O-N 2.73Å; E20-R24 IonicContact OE1-CZ 2.96Å; E20-R24 IonicContact OE1-NE 2.66Å; E20-R24 PolarHBondContact OE1-NE 3.15Å; E20-R24 VanDerWaalsContact OE1-NE 3.07Å; E20-R24 IonicContact OE1-NH2 3.24Å; E20-R24 PolarHBondContact OE1-NH2 3.27Å; N21-R24 WeakPolarHBondContact O-CB 3.42Å; N21-R24 PolarHBondContact O-N 2.98Å; N21-R24 VanDerWaalsContact O-N 3.08Å; A22-R24 PolarHBondContact O-N 3.16Å; R24-L27 PolarHBondContact O-N 3.45Å; R24-A28 PolarHBondContact O-N 2.9Å; R24-V53 HydrophobicContact CB-CB 4.33Å; R24-V53 WeakPolarHBondContact CD-O 3.12Å; R24-V53 PolarHBondContact NH1-O 3.13Å; R24-L56 WeakPolarHBondContact O-CD1 3.03Å; R24-F66 HydrophobicContact CB-CD1 4.23Å; R24-F66 HydrophobicContact CB-CD2 4.27Å; R24-F66 HydrophobicContact CB-CE1 3.88Å; R24-F66 HydrophobicContact CB-CE2 3.96Å; R24-F66 HydrophobicContact CB-CG 4.4Å; R24-F66 HydrophobicContact CB-CZ 3.74Å; R24-F66 HydrophobicContact CG-CD1 3.68Å; R24-F66 HydrophobicContact CG-CD2 4.26Å; R24-F66 HydrophobicContact CG-CE1 3.77Å; R24-F66 HydrophobicContact CG-CE2 4.37Å; R24-F66 HydrophobicContact CG-CG 3.92Å; R24-F66 HydrophobicContact CG-CZ 4.13Å; R24-F66 WeakPolarHBondContact O-CZ 3.46Å; R24-N67 PolarHBondContact NH1-O 2.7Å; R24-N67 PolarHBondContact NH2-O 3.4Å; R24-N69 PolarHBondContact NH2-O 2.74Å
25F98.2Very high97Very high5 Ų540.7 Ų40.72%0.02221%0.213CC..Hα-helixtrans-62.3-45.2174.9-71.7-65.2000111.8N21 A22 L27 A28 G29 Y30 E33 Y36 P44 V53 L56N21-F25 HydrophobicContact CB-CD2 4.49Å; N21-F25 HydrophobicContact CB-CE2 4.2Å; N21-F25 WeakPolarHBondContact O-CD2 3.06Å; N21-F25 PolarHBondContact O-N 3.41Å; A22-F25 PolarHBondContact O-N 3.3Å; F25-L27 PolarHBondContact O-N 3.28Å; F25-A28 CarbonylContact O-C 3.59Å; F25-A28 WeakPolarHBondContact O-CA 3.18Å; F25-A28 PolarHBondContact O-N 2.83Å; F25-A28 VanDerWaalsContact O-N 3.08Å; F25-G29 PolarHBondContact O-N 2.74Å; F25-Y30 CarbonylContact C-O 3.33Å; F25-Y30 PolarHBondContact O-N 2.93Å; F25-Y30 VanDerWaalsContact O-O 3.06Å; F25-E33 HydrophobicContact CE1-CB 4.24Å; F25-E33 HydrophobicContact CE2-CB 3.67Å; F25-E33 HydrophobicContact CE2-CG 4.46Å; F25-E33 HydrophobicContact CZ-CB 3.5Å; F25-E33 HydrophobicContact CZ-CG 3.89Å; F25-Y36 HydrophobicContact CD1-CG 4.34Å; F25-Y36 HydrophobicContact CE1-CD1 4.4Å; F25-Y36 HydrophobicContact CE1-CD2 4.48Å; F25-Y36 AromaticContact CE1-CG 3.97Å; F25-Y36 HydrophobicContact CE1-CG 3.97Å; F25-P44 HydrophobicContact CE1-CB 4.28Å; F25-P44 HydrophobicContact CE1-CG 4.17Å; F25-P44 HydrophobicContact CZ-CB 4.39Å; F25-P44 HydrophobicContact CZ-CG 3.89Å; F25-V53 HydrophobicContact CE1-CG2 4.31Å; F25-V53 HydrophobicContact CE2-CG2 3.85Å; F25-V53 HydrophobicContact CZ-CG2 3.64Å; F25-L56 HydrophobicContact CD1-CD1 3.71Å; F25-L56 HydrophobicContact CD1-CD2 3.9Å; F25-L56 HydrophobicContact CE1-CD1 4.19Å; F25-L56 HydrophobicContact CE1-CD2 3.57Å; F25-L56 HydrophobicContact CG-CD1 4.35Å
26Q97.2Very high96.9Very high56 Ų5637.2 Ų37.226%0.26220%0.2SC..Hα-helixtrans-67-36.7-178.9-73.5166.848.500112.2A22 Y23 A28 G29 Y30 R31 K81A22-Q26 VanDerWaalsContact O-CB 3.31Å; A22-Q26 WeakPolarHBondContact O-CB 3.06Å; A22-Q26 VanDerWaalsContact O-CG 3.26Å; A22-Q26 WeakPolarHBondContact O-CG 3.33Å; A22-Q26 PolarHBondContact O-N 3.43Å; A22-Q26 PolarHBondContact O-NE2 3.32Å; Y23-Q26 PolarHBondContact O-N 2.85Å; Q26-A28 PolarHBondContact O-N 2.72Å; Q26-G29 PolarHBondContact O-N 3.07Å; Q26-G29 VanDerWaalsContact O-N 3.13Å; Q26-Y30 WeakPolarHBondContact CA-O 3.29Å; Q26-Y30 WeakPolarHBondContact CG-O 3.26Å; Q26-Y30 PolarHBondContact N-O 2.82Å; Q26-R31 PolarHBondContact NE2-O 2.73Å; Q26-K81 PolarHBondContact NE2-O 3.25Å
27L96.2Very high96.8Very high76 Ų7637.6 Ų37.640%0.39820%0.197SC..Hα-helixtrans-62.6-34.1172.6-163.872.7000112Y23 R24 F25 G29 Y64 F66Y23-L27 HydrophobicContact CE1-CD2 4.45Å; Y23-L27 WeakPolarHBondContact O-CB 3.34Å; Y23-L27 PolarHBondContact O-N 3.31Å; R24-L27 PolarHBondContact O-N 3.45Å; F25-L27 PolarHBondContact O-N 3.28Å; L27-G29 VanDerWaalsContact C-N 3.3Å; L27-Y64 HydrophobicContact CD2-CE1 4.49Å; L27-Y64 WeakPolarHBondContact O-CE2 3.45Å; L27-F66 HydrophobicContact CD2-CE1 3.86Å
28A96.1Very high96.7Very high7 Ų736.1 Ų36.16%0.05819%0.186CC..THydrogen-bonded Turntrans-82.2-1.2176.800000114.4R24 F25 Q26 Y30 L56 Y64R24-A28 PolarHBondContact O-N 2.9Å; F25-A28 CarbonylContact O-C 3.59Å; F25-A28 WeakPolarHBondContact O-CA 3.18Å; F25-A28 PolarHBondContact O-N 2.83Å; F25-A28 VanDerWaalsContact O-N 3.08Å; Q26-A28 PolarHBondContact O-N 2.72Å; A28-Y30 HydrophobicContact CB-CD2 3.86Å; A28-Y30 HydrophobicContact CB-CE2 4.15Å; A28-L56 HydrophobicContact CB-CB 3.99Å; A28-L56 HydrophobicContact CB-CD1 3.57Å; A28-L56 HydrophobicContact CB-CG 4.44Å; A28-Y64 HydrophobicContact CB-CD2 3.85Å; A28-Y64 HydrophobicContact CB-CE2 4.47Å
29G95.8Very high96.6Very high43 Ų4336.3 Ų36.344%0.44318%0.182SC..THydrogen-bonded Turntrans84.424.2179.700000114.6F25 Q26 L27 R59F25-G29 PolarHBondContact O-N 2.74Å; Q26-G29 PolarHBondContact O-N 3.07Å; Q26-G29 VanDerWaalsContact O-N 3.13Å; L27-G29 VanDerWaalsContact C-N 3.3Å; G29-R59 PolarHBondContact O-NE 3.15Å; G29-R59 VanDerWaalsContact O-NE 3.09Å; G29-R59 PolarHBondContact O-NH2 3.35Å
30Y96.9Very high96.4Very high5 Ų537.9 Ų37.92%0.0219%0.19CC..  trans-115148.3172.2-58.5-79.7000110.4F25 Q26 A28 E35 Y36 Y39 N40 K57 R59F25-Y30 CarbonylContact C-O 3.33Å; F25-Y30 PolarHBondContact O-N 2.93Å; F25-Y30 VanDerWaalsContact O-O 3.06Å; Q26-Y30 WeakPolarHBondContact CA-O 3.29Å; Q26-Y30 WeakPolarHBondContact CG-O 3.26Å; Q26-Y30 PolarHBondContact N-O 2.82Å; A28-Y30 HydrophobicContact CB-CD2 3.86Å; A28-Y30 HydrophobicContact CB-CE2 4.15Å; Y30-E35 WeakPolarHBondContact CA-OE2 3.36Å; Y30-E35 HydrophobicContact CD1-CG 4.45Å; Y30-Y36 HydrophobicContact CD1-CD2 4.33Å; Y30-Y36 AromaticContact CD2-CD2 3.76Å; Y30-Y36 HydrophobicContact CD2-CD2 3.76Å; Y30-Y36 HydrophobicContact CE1-CD2 4.19Å; Y30-Y36 AromaticContact CE2-CD2 3.61Å; Y30-Y36 HydrophobicContact CE2-CD2 3.61Å; Y30-Y36 HydrophobicContact CE2-CE2 4.06Å; Y30-Y36 HydrophobicContact CG-CD2 4.13Å; Y30-Y36 AromaticContact CZ-CD2 3.84Å; Y30-Y39 AromaticContact CE1-CD1 3.83Å; Y30-Y39 HydrophobicContact CE1-CD1 3.83Å; Y30-Y39 HydrophobicContact CE1-CG 4Å; Y30-Y39 WeakPolarHBondContact OH-CD1 3.15Å; Y30-N40 PolarHBondContact OH-ND2 2.96Å; Y30-K57 WeakPolarHBondContact CE2-O 3.5Å; Y30-K57 PolarHBondContact OH-O 2.95Å; Y30-R59 HydrophobicContact CE1-CG 4.16Å
31R95.8Very high96.2Very high82 Ų8244.3 Ų44.331%0.30923%0.225SC..SBendtrans-64.8-46.8173.7-68.8-171.2-52.5-118.14.4110.9Q26 E35 Y83Q26-R31 PolarHBondContact NE2-O 2.73Å; R31-E35 HydrophobicContact CB-CB 4.38Å; R31-E35 WeakPolarHBondContact CB-OE2 3.28Å; R31-E35 WeakPolarHBondContact CG-OE2 3.32Å; R31-E35 IonicContact CZ-OE1 3.98Å; R31-E35 PolarHBondContact N-OE2 3.35Å; R31-E35 IonicContact NH1-OE1 3.78Å; R31-Y83 HydrophobicContact CB-CD2 4.09Å; R31-Y83 HydrophobicContact CB-CE2 3.66Å; R31-Y83 HydrophobicContact CG-CE2 4.14Å
32D96.6Very high96Very high21 Ų2145.3 Ų45.311%0.11224%0.237CC..SBendtrans-167.2-171.9-173.353.430.8000111.3V34 E35 Y36 Y85D32-V34 VanDerWaalsContact C-N 3.34Å; D32-V34 PolarHBondContact O-N 3.47Å; D32-V34 PolarHBondContact OD1-N 3.45Å; D32-V34 VanDerWaalsContact OD1-N 3.13Å; D32-E35 PolarHBondContact OD1-N 3.49Å; D32-Y36 PolarHBondContact O-N 3.41Å; D32-Y36 VanDerWaalsContact O-N 3.11Å; D32-Y85 PolarHBondContact OD1-OH 3.27Å; D32-Y85 WeakPolarHBondContact OD2-CE2 3.48Å; D32-Y85 VanDerWaalsContact OD2-CZ 3.23Å; D32-Y85 PolarHBondContact OD2-OH 2.78Å
33E96.1Very high95.9Very high62 Ų6250.2 Ų50.229%0.2926%0.261SS..Hα-helixtrans-62.5-36.1177.7-174155.6-140.200113.2F25 Y36 F37 P44 K46F25-E33 HydrophobicContact CE1-CB 4.24Å; F25-E33 HydrophobicContact CE2-CB 3.67Å; F25-E33 HydrophobicContact CE2-CG 4.46Å; F25-E33 HydrophobicContact CZ-CB 3.5Å; F25-E33 HydrophobicContact CZ-CG 3.89Å; E33-Y36 PolarHBondContact O-N 2.95Å; E33-F37 WeakPolarHBondContact O-CB 3.35Å; E33-F37 PolarHBondContact O-N 3.08Å; E33-P44 HydrophobicContact CG-CG 4.3Å; E33-P44 WeakPolarHBondContact OE1-CD 3.28Å; E33-P44 WeakPolarHBondContact OE1-CG 3.14Å; E33-K46 WeakPolarHBondContact OE1-CE 3.39Å; E33-K46 IonicContact OE1-NZ 3.09Å; E33-K46 PolarHBondContact OE1-NZ 3.25Å; E33-K46 IonicContact OE2-NZ 2.69Å; E33-K46 PolarHBondContact OE2-NZ 3.47Å
34V95.2Very high95.8Very high52 Ų5248.5 Ų48.532%0.31526%0.256SS..Hα-helixtrans-66.4-46-179.2178.40000110.4D32 Y36 F37 N38 Y85D32-V34 VanDerWaalsContact C-N 3.34Å; D32-V34 PolarHBondContact O-N 3.47Å; D32-V34 PolarHBondContact OD1-N 3.45Å; D32-V34 VanDerWaalsContact OD1-N 3.13Å; V34-Y36 VanDerWaalsContact C-N 3.35Å; V34-F37 PolarHBondContact O-N 3.08Å; V34-N38 WeakPolarHBondContact O-CB 3.31Å; V34-N38 VanDerWaalsContact O-CG 3.25Å; V34-N38 PolarHBondContact O-N 2.63Å; V34-N38 PolarHBondContact O-ND2 3.18Å; V34-Y85 HydrophobicContact CB-CE1 4.49Å; V34-Y85 HydrophobicContact CB-CE2 4.3Å; V34-Y85 HydrophobicContact CG1-CE1 4.21Å; V34-Y85 HydrophobicContact CG2-CD2 4.44Å; V34-Y85 HydrophobicContact CG2-CE2 4Å
35E95.7Very high95.8Very high35 Ų3552.9 Ų52.916%0.16428%0.276CS..Hα-helixtrans-64.9-40.5175-169.4-175.5-153.600111.8Y30 R31 D32 F37 N38 Y39 R59Y30-E35 WeakPolarHBondContact CA-OE2 3.36Å; Y30-E35 HydrophobicContact CD1-CG 4.45Å; R31-E35 HydrophobicContact CB-CB 4.38Å; R31-E35 WeakPolarHBondContact CB-OE2 3.28Å; R31-E35 WeakPolarHBondContact CG-OE2 3.32Å; R31-E35 IonicContact CZ-OE1 3.98Å; R31-E35 PolarHBondContact N-OE2 3.35Å; R31-E35 IonicContact NH1-OE1 3.78Å; D32-E35 PolarHBondContact OD1-N 3.49Å; E35-F37 PolarHBondContact O-N 3.47Å; E35-N38 PolarHBondContact O-N 3.38Å; E35-Y39 WeakPolarHBondContact O-CB 3.5Å; E35-Y39 PolarHBondContact O-N 3.13Å; E35-R59 IonicContact OE1-CZ 3.97Å; E35-R59 IonicContact OE1-NH2 2.8Å; E35-R59 PolarHBondContact OE1-NH2 3.31Å; E35-R59 IonicContact OE2-NH2 3.4Å; E35-R59 PolarHBondContact OE2-NH2 2.86Å
36Y96.7Very high95.8Very high17 Ų1756.6 Ų56.67%0.06729%0.292CS..Hα-helixtrans-58.7-47.6176.7178.3-92.2000111.7F25 Y30 D32 E33 V34 Y39 N40 A42 P44 L56 K57F25-Y36 HydrophobicContact CD1-CG 4.34Å; F25-Y36 HydrophobicContact CE1-CD1 4.4Å; F25-Y36 HydrophobicContact CE1-CD2 4.48Å; F25-Y36 AromaticContact CE1-CG 3.97Å; F25-Y36 HydrophobicContact CE1-CG 3.97Å; Y30-Y36 HydrophobicContact CD1-CD2 4.33Å; Y30-Y36 AromaticContact CD2-CD2 3.76Å; Y30-Y36 HydrophobicContact CD2-CD2 3.76Å; Y30-Y36 HydrophobicContact CE1-CD2 4.19Å; Y30-Y36 AromaticContact CE2-CD2 3.61Å; Y30-Y36 HydrophobicContact CE2-CD2 3.61Å; Y30-Y36 HydrophobicContact CE2-CE2 4.06Å; Y30-Y36 HydrophobicContact CG-CD2 4.13Å; Y30-Y36 AromaticContact CZ-CD2 3.84Å; D32-Y36 PolarHBondContact O-N 3.41Å; D32-Y36 VanDerWaalsContact O-N 3.11Å; E33-Y36 PolarHBondContact O-N 2.95Å; V34-Y36 VanDerWaalsContact C-N 3.35Å; Y36-Y39 PolarHBondContact O-N 2.91Å; Y36-N40 VanDerWaalsContact CD2-ND2 3.28Å; Y36-N40 WeakPolarHBondContact CD2-ND2 3.34Å; Y36-N40 HydrophobicContact CE1-CB 4.44Å; Y36-N40 WeakPolarHBondContact CE2-ND2 3.17Å; Y36-N40 WeakPolarHBondContact O-CB 3.46Å; Y36-N40 PolarHBondContact O-N 3.17Å; Y36-N40 PolarHBondContact O-ND2 2.66Å; Y36-N40 VanDerWaalsContact O-ND2 3.15Å; Y36-A42 WeakPolarHBondContact CE1-O 3.41Å; Y36-P44 HydrophobicContact CD1-CB 4.1Å; Y36-P44 HydrophobicContact CD1-CG 4.4Å; Y36-P44 HydrophobicContact CE1-CB 3.81Å; Y36-P44 HydrophobicContact CE1-CG 4.49Å; Y36-L56 HydrophobicContact CD1-CD2 4.41Å; Y36-L56 HydrophobicContact CD2-CD2 3.74Å; Y36-L56 HydrophobicContact CE1-CD2 4.23Å; Y36-L56 HydrophobicContact CE2-CB 4.07Å; Y36-L56 HydrophobicContact CE2-CD2 3.51Å; Y36-L56 HydrophobicContact CE2-CG 4.37Å; Y36-L56 HydrophobicContact CG-CD2 4.17Å; Y36-K57 PolarHBondContact OH-N 3.37Å
37F95.3Very high95.8Very high49 Ų4957.5 Ų57.522%0.21529%0.293CS..Hα-helixtrans-61.9-48177.4179.7-90.9000111M1 E33 V34 E35 Y39 N40 N41M1-F37 HydrophobicContact SD-CE1 3.9Å; E33-F37 WeakPolarHBondContact O-CB 3.35Å; E33-F37 PolarHBondContact O-N 3.08Å; V34-F37 PolarHBondContact O-N 3.08Å; E35-F37 PolarHBondContact O-N 3.47Å; F37-Y39 VanDerWaalsContact C-N 3.25Å; F37-Y39 PolarHBondContact O-N 3.39Å; F37-N40 PolarHBondContact O-N 3.09Å; F37-N41 WeakPolarHBondContact O-CA 3.31Å; F37-N41 PolarHBondContact O-N 2.96Å
38N93.7Very high95.7Very high52 Ų5261 Ų6128%0.27832%0.318SS..Hα-helixtrans-61.7-33.7179.5-73.9-24.3000112.7V34 E35V34-N38 WeakPolarHBondContact O-CB 3.31Å; V34-N38 VanDerWaalsContact O-CG 3.25Å; V34-N38 PolarHBondContact O-N 2.63Å; V34-N38 PolarHBondContact O-ND2 3.18Å; E35-N38 PolarHBondContact O-N 3.38Å
39Y94.6Very high95.6Very high117 Ų11765.7 Ų65.746%0.45934%0.342SS..Hα-helixtrans-79.6-41.8179.3-175-95.6000113.2Y30 E35 Y36 F37 R59Y30-Y39 AromaticContact CE1-CD1 3.83Å; Y30-Y39 HydrophobicContact CE1-CD1 3.83Å; Y30-Y39 HydrophobicContact CE1-CG 4Å; Y30-Y39 WeakPolarHBondContact OH-CD1 3.15Å; E35-Y39 WeakPolarHBondContact O-CB 3.5Å; E35-Y39 PolarHBondContact O-N 3.13Å; Y36-Y39 PolarHBondContact O-N 2.91Å; F37-Y39 VanDerWaalsContact C-N 3.25Å; F37-Y39 PolarHBondContact O-N 3.39Å; Y39-R59 HydrophobicContact CE1-CB 4.48Å; Y39-R59 HydrophobicContact CE1-CG 4.11Å
40N94Very high95.6Very high34 Ų3466 Ų6618%0.18234%0.335CS..Hα-helixtrans-97.9-11.1-174.2-68.1-73.8000113.9Y30 Y36 F37 A42Y30-N40 PolarHBondContact OH-ND2 2.96Å; Y36-N40 VanDerWaalsContact CD2-ND2 3.28Å; Y36-N40 WeakPolarHBondContact CD2-ND2 3.34Å; Y36-N40 HydrophobicContact CE1-CB 4.44Å; Y36-N40 WeakPolarHBondContact CE2-ND2 3.17Å; Y36-N40 WeakPolarHBondContact O-CB 3.46Å; Y36-N40 PolarHBondContact O-N 3.17Å; Y36-N40 PolarHBondContact O-ND2 2.66Å; Y36-N40 VanDerWaalsContact O-ND2 3.15Å; F37-N40 PolarHBondContact O-N 3.09Å; N40-A42 PolarHBondContact O-N 3.03Å
41N93.9Very high95.5Very high136 Ų13667.3 Ų67.373%0.72735%0.351SS*.SBendtrans50.439-170.5-164.458.1000112.6F37F37-N41 WeakPolarHBondContact O-CA 3.31Å; F37-N41 PolarHBondContact O-N 2.96Å
42A94.2Very high95.6Very high45 Ų4564 Ų6437%0.37234%0.338SS..SBendtrans-156.5143.7-177.700000110.7Y36 N40Y36-A42 WeakPolarHBondContact CE1-O 3.41Å; N40-A42 PolarHBondContact O-N 3.03Å
43D95.7Very high95.6Very high114 Ų11463 Ų6361%0.6133%0.333SS*.PPolyproline II helixtrans-69149170.6-66.5-66.3000111.3
44P96.5Very high95.7Very high11 Ų1163.5 Ų63.57%0.07133%0.334CS..PPolyproline II helixtrans-71.9145.6175.431.8-36.1000111.1F25 E33 Y36 K46 V53 L56F25-P44 HydrophobicContact CE1-CB 4.28Å; F25-P44 HydrophobicContact CE1-CG 4.17Å; F25-P44 HydrophobicContact CZ-CB 4.39Å; F25-P44 HydrophobicContact CZ-CG 3.89Å; E33-P44 HydrophobicContact CG-CG 4.3Å; E33-P44 WeakPolarHBondContact OE1-CD 3.28Å; E33-P44 WeakPolarHBondContact OE1-CG 3.14Å; Y36-P44 HydrophobicContact CD1-CB 4.1Å; Y36-P44 HydrophobicContact CD1-CG 4.4Å; Y36-P44 HydrophobicContact CE1-CB 3.81Å; Y36-P44 HydrophobicContact CE1-CG 4.49Å; P44-K46 PolarHBondContact O-N 3.13Å; P44-V53 HydrophobicContact CB-CG1 4.41Å; P44-V53 HydrophobicContact CB-CG2 4.41Å; P44-V53 HydrophobicContact CG-CG2 4.44Å; P44-L56 HydrophobicContact CB-CD2 3.62Å
45E97.2Very high95.9Very high91 Ų9163 Ų6343%0.42533%0.328SS..EExtended strand (participates in β ladder)trans-68.2128.3170.9-65.3-179.2-129.400109.2K54 K55E45-K54 WeakPolarHBondContact O-CB 3.44Å; E45-K54 PolarHBondContact O-N 2.87Å; E45-K55 HydrophobicContact CB-CB 4.32Å; E45-K55 PolarHBondContact O-N 3.4Å; E45-K55 VanDerWaalsContact OE1-CD 3.3Å; E45-K55 WeakPolarHBondContact OE1-CD 3.45Å; E45-K55 IonicContact OE1-NZ 3.13Å; E45-K55 PolarHBondContact OE1-NZ 3.11Å; E45-K55 VanDerWaalsContact OE1-NZ 3.13Å
46K97.8Very high96Very high83 Ų8361.4 Ų61.436%0.36132%0.32SS..EExtended strand (participates in β ladder)trans-118.6151179.2-67.8176-179.8175.10111.4E33 P44 F52 V53E33-K46 WeakPolarHBondContact OE1-CE 3.39Å; E33-K46 IonicContact OE1-NZ 3.09Å; E33-K46 PolarHBondContact OE1-NZ 3.25Å; E33-K46 IonicContact OE2-NZ 2.69Å; E33-K46 PolarHBondContact OE2-NZ 3.47Å; P44-K46 PolarHBondContact O-N 3.13Å; K46-F52 CarbonylContact C-O 3.5Å; K46-F52 VanDerWaalsContact CA-O 3.28Å; K46-F52 WeakPolarHBondContact CA-O 3.07Å; K46-V53 HydrophobicContact CG-CG2 4.46Å
47W97.6Very high96Very high76 Ų7664.9 Ų64.929%0.28834%0.336SS..  trans-69.8129.5168.7-70.3106.8000110N49 G51 F52 K54 F66 N67 K68W47-N49 VanDerWaalsContact C-N 3.28Å; W47-N49 PolarHBondContact O-N 2.83Å; W47-G51 VanDerWaalsContact O-CA 3.29Å; W47-G51 WeakPolarHBondContact O-CA 3.48Å; W47-G51 PolarHBondContact O-N 2.94Å; W47-F52 PolarHBondContact N-O 3.18Å; W47-K54 HydrophobicContact CD2-CB 4.21Å; W47-K54 HydrophobicContact CD2-CD 4.09Å; W47-K54 HydrophobicContact CD2-CG 4.14Å; W47-K54 HydrophobicContact CE3-CD 4.22Å; W47-K54 HydrophobicContact CG-CB 4.13Å; W47-K54 HydrophobicContact CH2-CD 4.11Å; W47-K54 HydrophobicContact CH2-CG 4.38Å; W47-K54 HydrophobicContact CZ2-CD 3.98Å; W47-K54 HydrophobicContact CZ2-CG 3.75Å; W47-K54 HydrophobicContact CZ3-CD 4.23Å; W47-F66 PolarHBondContact NE1-O 3.44Å; W47-N67 PolarHBondContact NE1-O 2.93Å; W47-K68 HydrophobicContact CB-CB 4.43Å; W47-K68 VanDerWaalsContact CD1-CA 3.47Å; W47-K68 HydrophobicContact CD2-CB 3.72Å; W47-K68 HydrophobicContact CE3-CB 4.27Å; W47-K68 HydrophobicContact CG-CB 3.79Å; W47-K68 HydrophobicContact CZ2-CB 4.45Å
48T94.8Very high96Very high149 Ų14966 Ų6691%0.91434%0.339SS*.THydrogen-bonded Turntrans-66-28.6-174.951.50000113.6
49N94Very high95.9Very high105 Ų10568.6 Ų68.656%0.56135%0.345SS*.THydrogen-bonded Turntrans-86.4-32.9-175.564.4-40.5000113.8W47W47-N49 VanDerWaalsContact C-N 3.28Å; W47-N49 PolarHBondContact O-N 2.83Å
50T94.4Very high95.8Very high49 Ų4967.3 Ų67.330%0.30135%0.346SS..THydrogen-bonded Turntrans-111.2-16.8-177.655.20000113.7F52 K68T50-F52 HydrophobicContact CG2-CD2 4.39Å; T50-F52 HydrophobicContact CG2-CE2 4.34Å; T50-F52 PolarHBondContact O-N 3.08Å; T50-F52 WeakPolarHBondContact OG1-CD2 3.4Å; T50-F52 PolarHBondContact OG1-N 3.39Å; T50-K68 VanDerWaalsContact CG2-O 3.31Å; T50-K68 WeakPolarHBondContact CG2-O 3.29Å; T50-K68 PolarHBondContact OG1-O 2.8Å
51G95.1Very high95.7Very high33 Ų3367.2 Ų67.234%0.3435%0.353SS..  trans69.97.3-171.500000113.5N21 W47N21-G51 PolarHBondContact ND2-O 3.38Å; W47-G51 VanDerWaalsContact O-CA 3.29Å; W47-G51 WeakPolarHBondContact O-CA 3.48Å; W47-G51 PolarHBondContact O-N 2.94Å
52F98Very high95.8Very high12 Ų1265.8 Ų65.85%0.05335%0.345CS..  trans-76.8143.6178.7-56.8-24.5000111.5W15 T17 E20 N21 K46 W47 T50 K54 K68W15-F52 AromaticContact CH2-CZ 3.96Å; W15-F52 HydrophobicContact CH2-CZ 3.96Å; W15-F52 HydrophobicContact CZ2-CE2 4.49Å; W15-F52 AromaticContact CZ2-CZ 3.8Å; W15-F52 HydrophobicContact CZ2-CZ 3.8Å; T17-F52 HydrophobicContact CG2-CE1 3.73Å; T17-F52 HydrophobicContact CG2-CZ 4.33Å; E20-F52 HydrophobicContact CB-CD1 4.46Å; E20-F52 HydrophobicContact CB-CE1 4.22Å; E20-F52 HydrophobicContact CB-CZ 4.49Å; E20-F52 HydrophobicContact CG-CD1 4.07Å; E20-F52 HydrophobicContact CG-CD2 4.11Å; E20-F52 HydrophobicContact CG-CE1 4.06Å; E20-F52 HydrophobicContact CG-CE2 4.11Å; E20-F52 HydrophobicContact CG-CG 4.11Å; E20-F52 HydrophobicContact CG-CZ 4.1Å; N21-F52 VanDerWaalsContact OD1-CA 3.32Å; N21-F52 WeakPolarHBondContact OD1-CA 3.42Å; K46-F52 CarbonylContact C-O 3.5Å; K46-F52 VanDerWaalsContact CA-O 3.28Å; K46-F52 WeakPolarHBondContact CA-O 3.07Å; W47-F52 PolarHBondContact N-O 3.18Å; T50-F52 HydrophobicContact CG2-CD2 4.39Å; T50-F52 HydrophobicContact CG2-CE2 4.34Å; T50-F52 PolarHBondContact O-N 3.08Å; T50-F52 WeakPolarHBondContact OG1-CD2 3.4Å; T50-F52 PolarHBondContact OG1-N 3.39Å; F52-K54 PolarHBondContact O-N 3.32Å; F52-K54 VanDerWaalsContact O-N 3.15Å; F52-K68 VanDerWaalsContact CD2-O 3.26Å; F52-K68 WeakPolarHBondContact CD2-O 3.47Å
53V98.2Very high95.9Very high0 Ų068.3 Ų68.30%035%0.348CS..EExtended strand (participates in β ladder)trans-57118.9175.2171.30000109.5N21 R24 F25 P44 K46 L56 F66N21-V53 HydrophobicContact CB-CG2 4.38Å; N21-V53 PolarHBondContact OD1-N 3.49Å; R24-V53 HydrophobicContact CB-CB 4.33Å; R24-V53 WeakPolarHBondContact CD-O 3.12Å; R24-V53 PolarHBondContact NH1-O 3.13Å; F25-V53 HydrophobicContact CE1-CG2 4.31Å; F25-V53 HydrophobicContact CE2-CG2 3.85Å; F25-V53 HydrophobicContact CZ-CG2 3.64Å; P44-V53 HydrophobicContact CB-CG1 4.41Å; P44-V53 HydrophobicContact CB-CG2 4.41Å; P44-V53 HydrophobicContact CG-CG2 4.44Å; K46-V53 HydrophobicContact CG-CG2 4.46Å; V53-L56 HydrophobicContact CG1-CD1 3.9Å; V53-L56 HydrophobicContact CG1-CD2 3.54Å; V53-L56 HydrophobicContact CG1-CG 3.44Å; V53-L56 VanDerWaalsContact CG1-CG 3.44Å; V53-F66 HydrophobicContact CG1-CD2 4.1Å; V53-F66 HydrophobicContact CG1-CE2 4.24Å; V53-F66 WeakPolarHBondContact O-CB 3.4Å
54K98Very high95.9Very high73 Ų7366.5 Ų66.532%0.31733%0.333SS..EExtended strand (participates in β ladder)trans-85.5-37.7179.1173.7-179.2175.8-1630111.6E45 W47 F52 Y65 F66E45-K54 WeakPolarHBondContact O-CB 3.44Å; E45-K54 PolarHBondContact O-N 2.87Å; W47-K54 HydrophobicContact CD2-CB 4.21Å; W47-K54 HydrophobicContact CD2-CD 4.09Å; W47-K54 HydrophobicContact CD2-CG 4.14Å; W47-K54 HydrophobicContact CE3-CD 4.22Å; W47-K54 HydrophobicContact CG-CB 4.13Å; W47-K54 HydrophobicContact CH2-CD 4.11Å; W47-K54 HydrophobicContact CH2-CG 4.38Å; W47-K54 HydrophobicContact CZ2-CD 3.98Å; W47-K54 HydrophobicContact CZ2-CG 3.75Å; W47-K54 HydrophobicContact CZ3-CD 4.23Å; F52-K54 PolarHBondContact O-N 3.32Å; F52-K54 VanDerWaalsContact O-N 3.15Å; K54-Y65 WeakPolarHBondContact O-CA 3.17Å; K54-F66 PolarHBondContact O-N 3.37Å
55K97.7Very high96Very high43 Ų4373.2 Ų73.219%0.18736%0.358CS..EExtended strand (participates in β ladder)trans-152.6137.8-173.2-178.6-169.5171-166.10111.2E45 F63 Y64 Y65E45-K55 HydrophobicContact CB-CB 4.32Å; E45-K55 PolarHBondContact O-N 3.4Å; E45-K55 VanDerWaalsContact OE1-CD 3.3Å; E45-K55 WeakPolarHBondContact OE1-CD 3.45Å; E45-K55 IonicContact OE1-NZ 3.13Å; E45-K55 PolarHBondContact OE1-NZ 3.11Å; E45-K55 VanDerWaalsContact OE1-NZ 3.13Å; K55-F63 HydrophobicContact CD-CD1 4.27Å; K55-F63 HydrophobicContact CG-CD1 4.2Å; K55-Y64 VanDerWaalsContact CA-O 3.23Å; K55-Y64 WeakPolarHBondContact CA-O 3.31Å; K55-Y65 HydrophobicContact CB-CD1 4.21Å; K55-Y65 HydrophobicContact CB-CE1 4.41Å; K55-Y65 HydrophobicContact CD-CD1 4.22Å; K55-Y65 HydrophobicContact CD-CE1 3.61Å; K55-Y65 HydrophobicContact CG-CD1 3.96Å; K55-Y65 HydrophobicContact CG-CE1 3.78Å
56L98Very high96Very high0 Ų069.4 Ų69.40%034%0.34CS..EExtended strand (participates in β ladder)trans-128.2135.5172.6-64.9175.8000110.1R24 F25 A28 Y36 P44 V53 F63 Y64 F66R24-L56 WeakPolarHBondContact O-CD1 3.03Å; F25-L56 HydrophobicContact CD1-CD1 3.71Å; F25-L56 HydrophobicContact CD1-CD2 3.9Å; F25-L56 HydrophobicContact CE1-CD1 4.19Å; F25-L56 HydrophobicContact CE1-CD2 3.57Å; F25-L56 HydrophobicContact CG-CD1 4.35Å; A28-L56 HydrophobicContact CB-CB 3.99Å; A28-L56 HydrophobicContact CB-CD1 3.57Å; A28-L56 HydrophobicContact CB-CG 4.44Å; Y36-L56 HydrophobicContact CD1-CD2 4.41Å; Y36-L56 HydrophobicContact CD2-CD2 3.74Å; Y36-L56 HydrophobicContact CE1-CD2 4.23Å; Y36-L56 HydrophobicContact CE2-CB 4.07Å; Y36-L56 HydrophobicContact CE2-CD2 3.51Å; Y36-L56 HydrophobicContact CE2-CG 4.37Å; Y36-L56 HydrophobicContact CG-CD2 4.17Å; P44-L56 HydrophobicContact CB-CD2 3.62Å; V53-L56 HydrophobicContact CG1-CD1 3.9Å; V53-L56 HydrophobicContact CG1-CD2 3.54Å; V53-L56 HydrophobicContact CG1-CG 3.44Å; V53-L56 VanDerWaalsContact CG1-CG 3.44Å; L56-F63 CarbonylContact O-C 3.14Å; L56-F63 WeakPolarHBondContact O-CA 3.26Å; L56-Y64 PolarHBondContact N-O 2.96Å; L56-Y64 PolarHBondContact O-N 2.88Å; L56-F66 HydrophobicContact CB-CE2 4.28Å; L56-F66 HydrophobicContact CD1-CE2 3.83Å; L56-F66 HydrophobicContact CD1-CZ 4.26Å; L56-F66 HydrophobicContact CG-CE2 3.93Å
57K97.2Very high95.9Very high90 Ų9069.2 Ų69.239%0.39134%0.343SS..EExtended strand (participates in β ladder)trans-77.1124.9163.2-172.1179.5177.3-174.20108.3Y30 Y36 F63Y30-K57 WeakPolarHBondContact CE2-O 3.5Å; Y30-K57 PolarHBondContact OH-O 2.95Å; Y36-K57 PolarHBondContact OH-N 3.37Å; K57-F63 HydrophobicContact CB-CD1 4.03Å; K57-F63 HydrophobicContact CB-CE1 3.77Å; K57-F63 HydrophobicContact CD-CE1 4.4Å; K57-F63 HydrophobicContact CG-CD1 4.38Å; K57-F63 HydrophobicContact CG-CE1 3.92Å; K57-F63 HydrophobicContact CG-CZ 4.35Å
58R95.2Very high95.9Very high72 Ų7270.3 Ų70.327%0.27235%0.349SS..  trans-78.1165.4173.4-69.1163.354.9134.71.5110.3D60 G61 L62 Y64R58-D60 VanDerWaalsContact C-N 3.25Å; R58-D60 WeakPolarHBondContact CB-OD1 3.37Å; R58-D60 IonicContact CZ-OD2 3.17Å; R58-D60 VanDerWaalsContact CZ-OD2 3.24Å; R58-D60 IonicContact NE-OD1 3.07Å; R58-D60 PolarHBondContact NE-OD1 3.45Å; R58-D60 IonicContact NE-OD2 3.34Å; R58-D60 PolarHBondContact NE-OD2 2.91Å; R58-D60 VanDerWaalsContact NE-OD2 3.09Å; R58-D60 IonicContact NH2-OD2 2.74Å; R58-D60 PolarHBondContact NH2-OD2 3.27Å; R58-D60 PolarHBondContact O-N 3.48Å; R58-G61 PolarHBondContact O-N 2.68Å; R58-L62 WeakPolarHBondContact CB-O 3.39Å; R58-L62 PolarHBondContact N-O 3.28Å; R58-Y64 VanDerWaalsContact CD-CD2 3.49Å; R58-Y64 HydrophobicContact CG-CD2 3.51Å; R58-Y64 HydrophobicContact CG-CE2 3.84Å; R58-Y64 HydrophobicContact CG-CG 4.47Å; R58-Y64 VanDerWaalsContact NH1-CZ 3.32Å; R58-Y64 PolarHBondContact NH1-OH 3.22Å; R58-Y64 VanDerWaalsContact NH1-OH 3.15Å
59R92.1Very high96Very high107 Ų10767.7 Ų67.740%0.40433%0.33SS..THydrogen-bonded Turntrans-66-23.9177.5-61.4-177.5-174.8-101.38114.1G29 Y30 E35 Y39 G61G29-R59 PolarHBondContact O-NE 3.15Å; G29-R59 VanDerWaalsContact O-NE 3.09Å; G29-R59 PolarHBondContact O-NH2 3.35Å; Y30-R59 HydrophobicContact CE1-CG 4.16Å; E35-R59 IonicContact OE1-CZ 3.97Å; E35-R59 IonicContact OE1-NH2 2.8Å; E35-R59 PolarHBondContact OE1-NH2 3.31Å; E35-R59 IonicContact OE2-NH2 3.4Å; E35-R59 PolarHBondContact OE2-NH2 2.86Å; Y39-R59 HydrophobicContact CE1-CB 4.48Å; Y39-R59 HydrophobicContact CE1-CG 4.11Å; R59-G61 PolarHBondContact O-N 3.41Å
60D92.7Very high96.1Very high90 Ų9067.6 Ų67.648%0.48132%0.322SS..THydrogen-bonded Turntrans-81.61.8173.559.28.1000113.3R58 L62R58-D60 VanDerWaalsContact C-N 3.25Å; R58-D60 WeakPolarHBondContact CB-OD1 3.37Å; R58-D60 IonicContact CZ-OD2 3.17Å; R58-D60 VanDerWaalsContact CZ-OD2 3.24Å; R58-D60 IonicContact NE-OD1 3.07Å; R58-D60 PolarHBondContact NE-OD1 3.45Å; R58-D60 IonicContact NE-OD2 3.34Å; R58-D60 PolarHBondContact NE-OD2 2.91Å; R58-D60 VanDerWaalsContact NE-OD2 3.09Å; R58-D60 IonicContact NH2-OD2 2.74Å; R58-D60 PolarHBondContact NH2-OD2 3.27Å; R58-D60 PolarHBondContact O-N 3.48Å; D60-L62 VanDerWaalsContact C-N 3.29Å; D60-L62 PolarHBondContact O-N 2.87Å; D60-L62 WeakPolarHBondContact OD1-CB 3.4Å; D60-L62 PolarHBondContact OD1-N 2.82Å
61G91.7Very high96.3Very high33 Ų3368.8 Ų68.834%0.3432%0.324SS..SBendtrans84.1-4.8-178.700000114.7R58 R59R58-G61 PolarHBondContact O-N 2.68Å; R59-G61 PolarHBondContact O-N 3.41Å
62L95.1Very high96.4Very high106 Ų10667.2 Ų67.256%0.55531%0.308SS*.  trans-77.7171.4172.6-59.2-178.7000111.1R58 D60R58-L62 WeakPolarHBondContact CB-O 3.39Å; R58-L62 PolarHBondContact N-O 3.28Å; D60-L62 VanDerWaalsContact C-N 3.29Å; D60-L62 PolarHBondContact O-N 2.87Å; D60-L62 WeakPolarHBondContact OD1-CB 3.4Å; D60-L62 PolarHBondContact OD1-N 2.82Å
63F96.3Very high96.3Very high98 Ų9868.9 Ų68.943%0.4332%0.321SS..EExtended strand (participates in β ladder)trans-118.9137.4-179.2-63.7-84.5000111.4K55 L56 K57 Y65K55-F63 HydrophobicContact CD-CD1 4.27Å; K55-F63 HydrophobicContact CG-CD1 4.2Å; L56-F63 CarbonylContact O-C 3.14Å; L56-F63 WeakPolarHBondContact O-CA 3.26Å; K57-F63 HydrophobicContact CB-CD1 4.03Å; K57-F63 HydrophobicContact CB-CE1 3.77Å; K57-F63 HydrophobicContact CD-CE1 4.4Å; K57-F63 HydrophobicContact CG-CD1 4.38Å; K57-F63 HydrophobicContact CG-CE1 3.92Å; K57-F63 HydrophobicContact CG-CZ 4.35Å; F63-Y65 HydrophobicContact CB-CD2 4.36Å; F63-Y65 HydrophobicContact CB-CE2 3.66Å
64Y96.8Very high96.3Very high75 Ų7574.2 Ų74.229%0.29435%0.35SS..EExtended strand (participates in β ladder)trans-93.7139.6158.8-86.9-63.3000109.7L27 A28 K55 L56 R58 F66L27-Y64 HydrophobicContact CD2-CE1 4.49Å; L27-Y64 WeakPolarHBondContact O-CE2 3.45Å; A28-Y64 HydrophobicContact CB-CD2 3.85Å; A28-Y64 HydrophobicContact CB-CE2 4.47Å; K55-Y64 VanDerWaalsContact CA-O 3.23Å; K55-Y64 WeakPolarHBondContact CA-O 3.31Å; L56-Y64 PolarHBondContact N-O 2.96Å; L56-Y64 PolarHBondContact O-N 2.88Å; R58-Y64 VanDerWaalsContact CD-CD2 3.49Å; R58-Y64 HydrophobicContact CG-CD2 3.51Å; R58-Y64 HydrophobicContact CG-CE2 3.84Å; R58-Y64 HydrophobicContact CG-CG 4.47Å; R58-Y64 VanDerWaalsContact NH1-CZ 3.32Å; R58-Y64 PolarHBondContact NH1-OH 3.22Å; R58-Y64 VanDerWaalsContact NH1-OH 3.15Å; Y64-F66 HydrophobicContact CG-CZ 4.17Å
65Y97.7Very high96.3Very high153 Ų15379 Ų7960%0.637%0.37SS*.EExtended strand (participates in β ladder)trans-119.6135.3171.6-63.3-90000108.2K54 K55 F63K54-Y65 WeakPolarHBondContact O-CA 3.17Å; K55-Y65 HydrophobicContact CB-CD1 4.21Å; K55-Y65 HydrophobicContact CB-CE1 4.41Å; K55-Y65 HydrophobicContact CD-CD1 4.22Å; K55-Y65 HydrophobicContact CD-CE1 3.61Å; K55-Y65 HydrophobicContact CG-CD1 3.96Å; K55-Y65 HydrophobicContact CG-CE1 3.78Å; F63-Y65 HydrophobicContact CB-CD2 4.36Å; F63-Y65 HydrophobicContact CB-CE2 3.66Å
66F97.6Very high96.3Very high10 Ų1078.5 Ų78.54%0.04437%0.369CS..  trans-124.5149-176.1-55.7-83.3000110.5R24 L27 W47 V53 K54 L56 Y64 E71R24-F66 HydrophobicContact CB-CD1 4.23Å; R24-F66 HydrophobicContact CB-CD2 4.27Å; R24-F66 HydrophobicContact CB-CE1 3.88Å; R24-F66 HydrophobicContact CB-CE2 3.96Å; R24-F66 HydrophobicContact CB-CG 4.4Å; R24-F66 HydrophobicContact CB-CZ 3.74Å; R24-F66 HydrophobicContact CG-CD1 3.68Å; R24-F66 HydrophobicContact CG-CD2 4.26Å; R24-F66 HydrophobicContact CG-CE1 3.77Å; R24-F66 HydrophobicContact CG-CE2 4.37Å; R24-F66 HydrophobicContact CG-CG 3.92Å; R24-F66 HydrophobicContact CG-CZ 4.13Å; R24-F66 WeakPolarHBondContact O-CZ 3.46Å; L27-F66 HydrophobicContact CD2-CE1 3.86Å; W47-F66 PolarHBondContact NE1-O 3.44Å; V53-F66 HydrophobicContact CG1-CD2 4.1Å; V53-F66 HydrophobicContact CG1-CE2 4.24Å; V53-F66 WeakPolarHBondContact O-CB 3.4Å; K54-F66 PolarHBondContact O-N 3.37Å; L56-F66 HydrophobicContact CB-CE2 4.28Å; L56-F66 HydrophobicContact CD1-CE2 3.83Å; L56-F66 HydrophobicContact CD1-CZ 4.26Å; L56-F66 HydrophobicContact CG-CE2 3.93Å; Y64-F66 HydrophobicContact CG-CZ 4.17Å; F66-E71 WeakPolarHBondContact CD1-OE2 3.47Å
67N96.5Very high96.3Very high79 Ų7979 Ų7942%0.42237%0.372SS..  trans-69158.3178.3-157.1-39000111.7R24 W47 N69 E71R24-N67 PolarHBondContact NH1-O 2.7Å; R24-N67 PolarHBondContact NH2-O 3.4Å; W47-N67 PolarHBondContact NE1-O 2.93Å; N67-N69 PolarHBondContact O-N 3.42Å; N67-N69 PolarHBondContact OD1-N 3.1Å; N67-E71 HydrophobicContact CB-CG 4.27Å; N67-E71 WeakPolarHBondContact CB-OE1 3.34Å; N67-E71 PolarHBondContact N-OE1 3.39Å
68K96.5Very high96.3Very high99 Ų9978.2 Ų78.243%0.4338%0.376SS..SBendtrans-68-20.6171.467.7-177.3-179.6-179.20112.6W47 T50 F52W47-K68 HydrophobicContact CB-CB 4.43Å; W47-K68 VanDerWaalsContact CD1-CA 3.47Å; W47-K68 HydrophobicContact CD2-CB 3.72Å; W47-K68 HydrophobicContact CE3-CB 4.27Å; W47-K68 HydrophobicContact CG-CB 3.79Å; W47-K68 HydrophobicContact CZ2-CB 4.45Å; T50-K68 VanDerWaalsContact CG2-O 3.31Å; T50-K68 WeakPolarHBondContact CG2-O 3.29Å; T50-K68 PolarHBondContact OG1-O 2.8Å; F52-K68 VanDerWaalsContact CD2-O 3.26Å; F52-K68 WeakPolarHBondContact CD2-O 3.47Å
69N97.1Very high96.4Very high94 Ų9480.6 Ų80.650%0.50339%0.389SS..SBendtrans-91.6168.8177.6-62-26.3000111.6R24 N67R24-N69 PolarHBondContact NH2-O 2.74Å; N67-N69 PolarHBondContact O-N 3.42Å; N67-N69 PolarHBondContact OD1-N 3.1Å
70R96.6Very high96.7Very high103 Ų10375.6 Ų75.639%0.38937%0.37SS..  trans-57.2132.9173.2172.5177.9179.7-173.30.4111.5W15 C72 D74W15-R70 VanDerWaalsContact CD1-CZ 3.49Å; W15-R70 HydrophobicContact CZ2-CB 3.98Å; W15-R70 HydrophobicContact CZ2-CG 4.01Å; R70-C72 VanDerWaalsContact CZ-O 3.29Å; R70-C72 PolarHBondContact NE-O 3.29Å; R70-C72 PolarHBondContact NH2-O 2.96Å; R70-D74 IonicContact CZ-OD1 3.48Å; R70-D74 IonicContact NH1-OD1 3.41Å; R70-D74 PolarHBondContact NH1-OD1 3.46Å; R70-D74 IonicContact NH2-OD1 2.68Å; R70-D74 PolarHBondContact NH2-OD1 3.22Å
71E97.4Very high97Very high74 Ų7474.7 Ų74.735%0.34636%0.362SS..  trans-121.6-23.4173.4-65.6-172.5169.800112.7E20 Y23 F66 N67 S73E20-E71 PolarHBondContact OE1-N 3.39Å; E20-E71 PolarHBondContact OE2-N 3.4Å; Y23-E71 HydrophobicContact CE1-CB 4.44Å; F66-E71 WeakPolarHBondContact CD1-OE2 3.47Å; N67-E71 HydrophobicContact CB-CG 4.27Å; N67-E71 WeakPolarHBondContact CB-OE1 3.34Å; N67-E71 PolarHBondContact N-OE1 3.39Å; E71-S73 PolarHBondContact O-N 3.42Å; E71-S73 VanDerWaalsContact O-N 3.08Å
72C97.2Very high97.2Very high1 Ų173.9 Ų73.91%0.00735%0.349CS..  trans-67.4109.5176.7-176.80000110.5E20 Y23 R70E20-C72 PolarHBondContact OE1-N 3.41Å; E20-C72 WeakPolarHBondContact OE2-CB 3.36Å; E20-C72 PolarHBondContact OE2-N 3.25Å; Y23-C72 HydrophobicContact CD1-CB 4.01Å; Y23-C72 HydrophobicContact CD2-CB 4.27Å; Y23-C72 HydrophobicContact CG-CB 3.8Å; R70-C72 VanDerWaalsContact CZ-O 3.29Å; R70-C72 PolarHBondContact NE-O 3.29Å; R70-C72 PolarHBondContact NH2-O 2.96Å
73S97.2Very high97.3Very high47 Ų4771.2 Ų71.233%0.32933%0.332SS..  trans-70.8157.2178.384.40000111.3E71 K75 D76 I77E71-S73 PolarHBondContact O-N 3.42Å; E71-S73 VanDerWaalsContact O-N 3.08Å; S73-K75 PolarHBondContact O-N 3.21Å; S73-K75 VanDerWaalsContact O-N 3.1Å; S73-K75 PolarHBondContact OG-N 3.39Å; S73-D76 PolarHBondContact O-N 3.21Å; S73-D76 PolarHBondContact OG-N 3.37Å; S73-D76 PolarHBondContact OG-OD2 2.77Å; S73-I77 PolarHBondContact O-N 2.88Å
74D97.7Very high97.2Very high112 Ų11270.1 Ų70.160%0.59933%0.334SS*.THydrogen-bonded Turntrans-58.1-28177.7-65.8-31.5000112.7R70 D76 I77R70-D74 IonicContact CZ-OD1 3.48Å; R70-D74 IonicContact NH1-OD1 3.41Å; R70-D74 PolarHBondContact NH1-OD1 3.46Å; R70-D74 IonicContact NH2-OD1 2.68Å; R70-D74 PolarHBondContact NH2-OD1 3.22Å; D74-D76 VanDerWaalsContact C-N 3.28Å; D74-D76 PolarHBondContact O-N 3.17Å; D74-I77 HydrophobicContact CB-CD1 4.29Å
75K97.4Very high96.9Very high174 Ų17471.1 Ų71.176%0.75734%0.337SS*.THydrogen-bonded Turntrans-73.3-20.2176.4-62.1178.8-179.7177.60113.1S73 K79S73-K75 PolarHBondContact O-N 3.21Å; S73-K75 VanDerWaalsContact O-N 3.1Å; S73-K75 PolarHBondContact OG-N 3.39Å; K75-K79 WeakPolarHBondContact O-CE 3.35Å
76D98Very high96.9Very high31 Ų3167 Ų6717%0.16632%0.324CS..THydrogen-bonded Turntrans-97.5-17.9-178.9-62.2-50000113Y23 S73 D74 K79 C80Y23-D76 HydrophobicContact CD2-CB 4.18Å; Y23-D76 HydrophobicContact CE2-CB 3.94Å; S73-D76 PolarHBondContact O-N 3.21Å; S73-D76 PolarHBondContact OG-N 3.37Å; S73-D76 PolarHBondContact OG-OD2 2.77Å; D74-D76 VanDerWaalsContact C-N 3.28Å; D74-D76 PolarHBondContact O-N 3.17Å; D76-K79 WeakPolarHBondContact O-CA 3.37Å; D76-K79 VanDerWaalsContact O-CB 3.29Å; D76-K79 WeakPolarHBondContact O-CB 3.36Å; D76-K79 PolarHBondContact O-N 2.52Å; D76-K79 IonicContact OD1-NZ 2.74Å; D76-K79 PolarHBondContact OD1-NZ 2.64Å; D76-C80 PolarHBondContact O-N 3.1Å; D76-C80 PolarHBondContact O-SG 2.93Å
77I98.2Very high96.9Very high12 Ų1270 Ų706%0.06234%0.339CS..G310 helixtrans-46.7-56.7173.4-63.4169.7000111.9A12 W15 V19 S73 D74 K79 C80A12-I77 HydrophobicContact CB-CG2 3.92Å; W15-I77 HydrophobicContact CB-CD1 3.76Å; W15-I77 HydrophobicContact CB-CG1 4.34Å; V19-I77 HydrophobicContact CG1-CG2 4.5Å; S73-I77 PolarHBondContact O-N 2.88Å; D74-I77 HydrophobicContact CB-CD1 4.29Å; I77-K79 PolarHBondContact O-N 3.01Å; I77-C80 WeakPolarHBondContact O-CB 3.41Å; I77-C80 PolarHBondContact O-N 3.04Å
78P97.3Very high96.9Very high72 Ų7269.5 Ų69.547%0.46833%0.334SS..G310 helixtrans-66.2-14.5-177.527.3-36.3000113.8R11 A12R11-P78 WeakPolarHBondContact CD-O 3.39Å; R11-P78 PolarHBondContact NH1-O 2.73Å; A12-P78 WeakPolarHBondContact O-CA 3.17Å
79K97.5Very high96.9Very high123 Ų12367.8 Ų67.854%0.53533%0.329SS..G310 helixtrans-80.4-27.6176.5-55.4179.2-169.2161.40111.6R11 K75 D76 I77 K81R11-K79 PolarHBondContact NH1-O 3.03Å; K75-K79 WeakPolarHBondContact O-CE 3.35Å; D76-K79 WeakPolarHBondContact O-CA 3.37Å; D76-K79 VanDerWaalsContact O-CB 3.29Å; D76-K79 WeakPolarHBondContact O-CB 3.36Å; D76-K79 PolarHBondContact O-N 2.52Å; D76-K79 IonicContact OD1-NZ 2.74Å; D76-K79 PolarHBondContact OD1-NZ 2.64Å; I77-K79 PolarHBondContact O-N 3.01Å; K79-K81 PolarHBondContact O-N 3.44Å
80C98Very high96.9Very high2 Ų266.1 Ų66.11%0.01432%0.318CS..  trans-67.9124.6-178.5-60.60000110.9R11 A12 V19 D76 I77R11-C80 WeakPolarHBondContact CA-O 3.44Å; A12-C80 HydrophobicContact CB-CB 4.22Å; A12-C80 PolarHBondContact N-O 3.04Å; V19-C80 HydrophobicContact CG1-CB 4Å; D76-C80 PolarHBondContact O-N 3.1Å; D76-C80 PolarHBondContact O-SG 2.93Å; I77-C80 WeakPolarHBondContact O-CB 3.41Å; I77-C80 PolarHBondContact O-N 3.04Å
81K98.3Very high96.9Very high71 Ų7163.7 Ų63.731%0.30931%0.313SS..EExtended strand (participates in β ladder)trans-94.3130.3173.1-61.6178.7-174.9173.70110M9 Q26 K79 Y83M9-K81 HydrophobicContact CG-CB 3.88Å; M9-K81 HydrophobicContact CG-CD 4.32Å; M9-K81 HydrophobicContact CG-CG 4.27Å; M9-K81 HydrophobicContact SD-CB 3.92Å; M9-K81 HydrophobicContact SD-CD 4.09Å; M9-K81 HydrophobicContact SD-CG 3.78Å; Q26-K81 PolarHBondContact NE2-O 3.25Å; K79-K81 PolarHBondContact O-N 3.44Å; K81-Y83 HydrophobicContact CB-CE2 3.81Å; K81-Y83 WeakPolarHBondContact CD-OH 3.41Å
82L97.7Very high96.9Very high15 Ų1562.9 Ų62.98%0.07931%0.311CS..EExtended strand (participates in β ladder)trans-107.3124.3172.2-57.1179.2000107.8M9 Q10 A12 E18 V19 A22M9-L82 WeakPolarHBondContact CA-O 3.45Å; Q10-L82 HydrophobicContact CG-CB 4.01Å; Q10-L82 PolarHBondContact N-O 2.76Å; Q10-L82 PolarHBondContact O-N 3.16Å; A12-L82 HydrophobicContact CB-CD1 4.3Å; A12-L82 HydrophobicContact CB-CG 4.5Å; E18-L82 HydrophobicContact CG-CD2 4.11Å; V19-L82 HydrophobicContact CG2-CD1 4.04Å; V19-L82 HydrophobicContact CG2-CD2 4.22Å; A22-L82 HydrophobicContact CB-CD2 3.67Å
83Y96.6Very high96.9Very high51 Ų5167.7 Ų67.720%0.233%0.334CS..EExtended strand (participates in β ladder)trans-101.3137.9-175.7-70.1-81.6000110.3P6 G8 M9 R31 K81P6-Y83 HydrophobicContact CB-CD1 3.75Å; P6-Y83 HydrophobicContact CB-CG 4.22Å; P6-Y83 HydrophobicContact CG-CD1 3.58Å; P6-Y83 HydrophobicContact CG-CE1 4.18Å; P6-Y83 HydrophobicContact CG-CG 4.31Å; G8-Y83 WeakPolarHBondContact O-CA 3.22Å; M9-Y83 HydrophobicContact CB-CD1 3.85Å; M9-Y83 HydrophobicContact CB-CE1 3.88Å; M9-Y83 HydrophobicContact CG-CD1 3.93Å; M9-Y83 HydrophobicContact CG-CE1 3.68Å; R31-Y83 HydrophobicContact CB-CD2 4.09Å; R31-Y83 HydrophobicContact CB-CE2 3.66Å; R31-Y83 HydrophobicContact CG-CE2 4.14Å; K81-Y83 HydrophobicContact CB-CE2 3.81Å; K81-Y83 WeakPolarHBondContact CD-OH 3.41Å
84V94.7Very high96.8Very high75 Ų7569.4 Ų69.446%0.45533%0.334SS..EExtended strand (participates in β ladder)trans-107.2137.9173.9-176.90000107.4P6 T7 G8P6-V84 CarbonylContact C-O 3.52Å; P6-V84 WeakPolarHBondContact CA-O 3.15Å; P6-V84 VanDerWaalsContact CB-O 3.22Å; P6-V84 WeakPolarHBondContact CB-O 3.34Å; T7-V84 PolarHBondContact N-O 3.06Å; T7-V84 PolarHBondContact OG1-O 2.9Å; G8-V84 PolarHBondContact N-O 2.97Å; G8-V84 VanDerWaalsContact N-O 3.16Å; G8-V84 PolarHBondContact O-N 3.02Å
85Y90.7Very high96.8Very high95 Ų9565.5 Ų65.537%0.37331%0.31SS..  trans-112.20-179.9-70.9-88000109.4T4 P6 T7 D32 V34T4-Y85 HydrophobicContact CG2-CD1 3.51Å; T4-Y85 HydrophobicContact CG2-CE1 4.19Å; T4-Y85 HydrophobicContact CG2-CG 4.31Å; T4-Y85 WeakPolarHBondContact O-CE1 3.3Å; P6-Y85 HydrophobicContact CB-CD1 4.16Å; P6-Y85 HydrophobicContact CB-CE1 3.87Å; P6-Y85 HydrophobicContact CB-CE2 4.34Å; P6-Y85 HydrophobicContact CG-CE1 4.34Å; P6-Y85 VanDerWaalsContact N-CE1 3.33Å; T7-Y85 WeakPolarHBondContact CG2-OXT 3.08Å; T7-Y85 PolarHBondContact OG1-OXT 3.47Å; D32-Y85 PolarHBondContact OD1-OH 3.27Å; D32-Y85 WeakPolarHBondContact OD2-CE2 3.48Å; D32-Y85 VanDerWaalsContact OD2-CZ 3.23Å; D32-Y85 PolarHBondContact OD2-OH 2.78Å; V34-Y85 HydrophobicContact CB-CE1 4.49Å; V34-Y85 HydrophobicContact CB-CE2 4.3Å; V34-Y85 HydrophobicContact CG1-CE1 4.21Å; V34-Y85 HydrophobicContact CG2-CD2 4.44Å; V34-Y85 HydrophobicContact CG2-CE2 4Å

Retrieved 85 of 85 residues in 305.9 ms (Link to these results)

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