A0A087XVB8_POEFO Loading...

Protein S100-A13-like

AlphaFold DB , UniProt , Accession A0A087XVB8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 86 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
1M60.4Low77.8Confident204 Ų20483.9 Ų83.9100%1.00548%0.483SS*.  0-55.40-92.4171.1-86.200110.8A3 A4 I5M1-A3 VanDerWaalsContact C-N 3.33Å; M1-A3 PolarHBondContact O-N 2.76Å; M1-A4 PolarHBondContact O-N 2.93Å; M1-I5 WeakPolarHBondContact O-CG1 3.42Å; M1-I5 PolarHBondContact O-N 2.96Å
2E76.4Confident78.1Confident162 Ų16277.3 Ų77.376%0.75745%0.445SS*.Hα-helixtrans-51.8-45.6-178.7-63-179.492.400114.1A4 I5 T6E2-A4 VanDerWaalsContact C-N 3.31Å; E2-A4 PolarHBondContact O-N 3.43Å; E2-I5 WeakPolarHBondContact O-CB 3.21Å; E2-I5 PolarHBondContact O-N 3.13Å; E2-I5 VanDerWaalsContact O-N 3.13Å; E2-T6 PolarHBondContact O-N 3.11Å; E2-T6 PolarHBondContact O-OG1 3.27Å; E2-T6 VanDerWaalsContact O-OG1 3.11Å
3A77.3Confident78.2Confident73 Ų7381.4 Ų81.460%0.60345%0.454SS*.Hα-helixtrans-57.7-39.1178.100000113.6M1 T6 T7M1-A3 VanDerWaalsContact C-N 3.33Å; M1-A3 PolarHBondContact O-N 2.76Å; A3-T6 PolarHBondContact O-N 2.71Å; A3-T7 PolarHBondContact O-N 3.28Å; A3-T7 PolarHBondContact O-OG1 3.14Å
4A76.2Confident78.5Confident57 Ų5782.4 Ų82.447%0.47146%0.463SS..Hα-helixtrans-68.9-39.3178.600000111.4M1 E2 T7 I8M1-A4 PolarHBondContact O-N 2.93Å; E2-A4 VanDerWaalsContact C-N 3.31Å; E2-A4 PolarHBondContact O-N 3.43Å; A4-T7 PolarHBondContact O-N 3.03Å; A4-I8 WeakPolarHBondContact O-CD1 3.48Å; A4-I8 WeakPolarHBondContact O-CG1 3.45Å; A4-I8 PolarHBondContact O-N 2.9Å
5I79.4Confident78.5Confident71 Ų7179.3 Ų79.336%0.36444%0.442SS..Hα-helixtrans-62.9-46.9175.2-52.8-173.5000109.9M1 E2 T7 I8 V9 W72M1-I5 WeakPolarHBondContact O-CG1 3.42Å; M1-I5 PolarHBondContact O-N 2.96Å; E2-I5 WeakPolarHBondContact O-CB 3.21Å; E2-I5 PolarHBondContact O-N 3.13Å; E2-I5 VanDerWaalsContact O-N 3.13Å; I5-T7 VanDerWaalsContact C-N 3.3Å; I5-T7 PolarHBondContact O-N 3.23Å; I5-I8 PolarHBondContact O-N 2.86Å; I5-V9 HydrophobicContact CG2-CG2 4.27Å; I5-V9 WeakPolarHBondContact O-CB 3.3Å; I5-V9 VanDerWaalsContact O-CG2 3.23Å; I5-V9 WeakPolarHBondContact O-CG2 3.47Å; I5-V9 PolarHBondContact O-N 3.44Å; I5-W72 HydrophobicContact CB-CH2 4.15Å; I5-W72 HydrophobicContact CD1-CH2 4Å; I5-W72 HydrophobicContact CD1-CZ2 4.47Å; I5-W72 HydrophobicContact CG1-CH2 3.8Å; I5-W72 HydrophobicContact CG2-CH2 3.61Å; I5-W72 HydrophobicContact CG2-CZ3 3.82Å
6T80.7Confident78.4Confident86 Ų8674.6 Ų74.653%0.52842%0.416SS..Hα-helixtrans-60-40.2176.2-57.30000111.9E2 A3 S10E2-T6 PolarHBondContact O-N 3.11Å; E2-T6 PolarHBondContact O-OG1 3.27Å; E2-T6 VanDerWaalsContact O-OG1 3.11Å; A3-T6 PolarHBondContact O-N 2.71Å; T6-S10 VanDerWaalsContact O-CB 3.3Å; T6-S10 WeakPolarHBondContact O-CB 3.49Å; T6-S10 PolarHBondContact O-N 3.27Å; T6-S10 PolarHBondContact O-OG 2.86Å
7T81.8Confident77.7Confident77 Ų7772.7 Ų72.747%0.47242%0.417SS..Hα-helixtrans-62.7-48.8174.1-59.10000111A3 A4 I5 V9 S10 Q11A3-T7 PolarHBondContact O-N 3.28Å; A3-T7 PolarHBondContact O-OG1 3.14Å; A4-T7 PolarHBondContact O-N 3.03Å; I5-T7 VanDerWaalsContact C-N 3.3Å; I5-T7 PolarHBondContact O-N 3.23Å; T7-V9 PolarHBondContact O-N 3.2Å; T7-S10 PolarHBondContact O-N 3.39Å; T7-Q11 HydrophobicContact CG2-CG 4.34Å; T7-Q11 VanDerWaalsContact O-CG 3.27Å; T7-Q11 WeakPolarHBondContact O-CG 3.42Å; T7-Q11 PolarHBondContact O-N 3.37Å
8I79.4Confident76.9Confident43 Ų4374.5 Ų74.522%0.22143%0.425CS..Hα-helixtrans-60.7-44.9179.8-67.7158.9000111.2A4 I5 S10 Q11 F12 F71 W72 I75A4-I8 WeakPolarHBondContact O-CD1 3.48Å; A4-I8 WeakPolarHBondContact O-CG1 3.45Å; A4-I8 PolarHBondContact O-N 2.9Å; I5-I8 PolarHBondContact O-N 2.86Å; I8-S10 VanDerWaalsContact C-N 3.34Å; I8-S10 PolarHBondContact O-N 3.32Å; I8-Q11 PolarHBondContact O-N 2.85Å; I8-F12 WeakPolarHBondContact O-CB 3.48Å; I8-F12 PolarHBondContact O-N 2.93Å; I8-F71 HydrophobicContact CG2-CD1 4.49Å; I8-F71 HydrophobicContact CG2-CE1 3.6Å; I8-F71 HydrophobicContact CG2-CZ 4.35Å; I8-W72 HydrophobicContact CG2-CZ3 4.31Å; I8-I75 HydrophobicContact CD1-CG2 4.08Å; I8-I75 HydrophobicContact CG2-CG1 4.28Å
9V81.9Confident75.8Confident46 Ų4677.7 Ų77.728%0.27944%0.436SS..Hα-helixtrans-61.6-43175.5172.20000111.2I5 T7 F12 K13 F68I5-V9 HydrophobicContact CG2-CG2 4.27Å; I5-V9 WeakPolarHBondContact O-CB 3.3Å; I5-V9 VanDerWaalsContact O-CG2 3.23Å; I5-V9 WeakPolarHBondContact O-CG2 3.47Å; I5-V9 PolarHBondContact O-N 3.44Å; T7-V9 PolarHBondContact O-N 3.2Å; V9-F12 PolarHBondContact O-N 3.33Å; V9-K13 HydrophobicContact CG1-CD 4.38Å; V9-K13 WeakPolarHBondContact O-CG 3.15Å; V9-K13 PolarHBondContact O-N 2.92Å; V9-F68 HydrophobicContact CB-CE2 4.3Å; V9-F68 HydrophobicContact CG2-CE2 3.64Å; V9-F68 HydrophobicContact CG2-CZ 3.46Å; V9-F68 VanDerWaalsContact CG2-CZ 3.46Å
10S82.6Confident74.9Confident57 Ų5776.6 Ų76.640%0.39944%0.443SS..Hα-helixtrans-65.9-42.6179.2-60.80000111.1T6 T7 I8 K13 V14T6-S10 VanDerWaalsContact O-CB 3.3Å; T6-S10 WeakPolarHBondContact O-CB 3.49Å; T6-S10 PolarHBondContact O-N 3.27Å; T6-S10 PolarHBondContact O-OG 2.86Å; T7-S10 PolarHBondContact O-N 3.39Å; I8-S10 VanDerWaalsContact C-N 3.34Å; I8-S10 PolarHBondContact O-N 3.32Å; S10-K13 PolarHBondContact O-N 2.91Å; S10-V14 WeakPolarHBondContact O-CB 3.42Å; S10-V14 WeakPolarHBondContact O-CG2 3.43Å; S10-V14 PolarHBondContact O-N 3.41Å
11Q79.8Confident74Confident47 Ų4776.6 Ų76.622%0.2245%0.447CS..Hα-helixtrans-61.8-49.3174.6-67.1-61.9-48.500110.4T7 I8 K13 V14 Y15 Q37T7-Q11 HydrophobicContact CG2-CG 4.34Å; T7-Q11 VanDerWaalsContact O-CG 3.27Å; T7-Q11 WeakPolarHBondContact O-CG 3.42Å; T7-Q11 PolarHBondContact O-N 3.37Å; I8-Q11 PolarHBondContact O-N 2.85Å; Q11-K13 VanDerWaalsContact C-N 3.28Å; Q11-K13 PolarHBondContact O-N 3.49Å; Q11-V14 WeakPolarHBondContact O-CB 3.16Å; Q11-V14 PolarHBondContact O-N 2.96Å; Q11-Y15 WeakPolarHBondContact O-CD2 3.23Å; Q11-Y15 PolarHBondContact O-N 3.4Å; Q11-Q37 HydrophobicContact CB-CG 4.29Å; Q11-Q37 VanDerWaalsContact CD-CD 3.48Å; Q11-Q37 HydrophobicContact CG-CG 4.05Å; Q11-Q37 VanDerWaalsContact OE1-NE2 3.09Å
12F81.5Confident74.3Confident4 Ų470.5 Ų70.52%0.01843%0.425CS..Hα-helixtrans-51.4-48.5175.2-179.2-86000111.5I8 V9 V14 Y15 A16 S23 L25 F68 F71I8-F12 WeakPolarHBondContact O-CB 3.48Å; I8-F12 PolarHBondContact O-N 2.93Å; V9-F12 PolarHBondContact O-N 3.33Å; F12-V14 PolarHBondContact O-N 2.79Å; F12-Y15 PolarHBondContact O-N 3.06Å; F12-A16 HydrophobicContact CD1-CB 4.13Å; F12-A16 HydrophobicContact CE1-CB 3.86Å; F12-A16 HydrophobicContact CZ-CB 4.31Å; F12-A16 WeakPolarHBondContact O-CB 3.35Å; F12-A16 PolarHBondContact O-N 3.02Å; F12-S23 WeakPolarHBondContact CZ-O 3.07Å; F12-L25 HydrophobicContact CD2-CD1 3.32Å; F12-L25 HydrophobicContact CD2-CG 3.86Å; F12-L25 HydrophobicContact CE2-CB 4.37Å; F12-L25 HydrophobicContact CE2-CD1 3.36Å; F12-L25 HydrophobicContact CE2-CG 3.56Å; F12-L25 HydrophobicContact CG-CD1 4.32Å; F12-L25 HydrophobicContact CZ-CD1 4.36Å; F12-L25 HydrophobicContact CZ-CG 4.1Å; F12-F68 HydrophobicContact CB-CD2 4.25Å; F12-F68 HydrophobicContact CB-CE2 4.42Å; F12-F68 HydrophobicContact CD1-CB 4.43Å; F12-F68 AromaticContact CD1-CD2 3.76Å; F12-F68 HydrophobicContact CD1-CD2 3.76Å; F12-F68 HydrophobicContact CD2-CD2 4.11Å; F12-F68 HydrophobicContact CE1-CB 3.93Å; F12-F68 HydrophobicContact CE1-CD2 4.13Å; F12-F68 HydrophobicContact CE2-CB 4.39Å; F12-F68 HydrophobicContact CE2-CD2 4.44Å; F12-F68 AromaticContact CG-CD2 3.76Å; F12-F68 HydrophobicContact CG-CD2 3.76Å; F12-F68 HydrophobicContact CG-CE2 4.41Å; F12-F68 HydrophobicContact CZ-CB 3.92Å; F12-F68 HydrophobicContact CZ-CD2 4.46Å; F12-F71 HydrophobicContact CB-CD1 4.34Å; F12-F71 HydrophobicContact CB-CE1 4.22Å; F12-F71 HydrophobicContact CD2-CB 3.88Å; F12-F71 AromaticContact CD2-CD1 3.45Å; F12-F71 HydrophobicContact CD2-CD1 3.45Å; F12-F71 VanDerWaalsContact CD2-CD1 3.45Å; F12-F71 HydrophobicContact CD2-CD2 4.4Å; F12-F71 HydrophobicContact CD2-CE1 4.04Å; F12-F71 AromaticContact CD2-CG 3.65Å; F12-F71 HydrophobicContact CD2-CG 3.65Å; F12-F71 HydrophobicContact CE2-CB 3.72Å; F12-F71 HydrophobicContact CE2-CD1 4.19Å; F12-F71 AromaticContact CE2-CG 4Å; F12-F71 HydrophobicContact CE2-CG 4Å; F12-F71 HydrophobicContact CG-CD1 4.26Å
13K79.6Confident74Confident131 Ų13166.8 Ų66.857%0.5742%0.417SS*.Hα-helixtrans-65.9-34.4178.3-71.4-177.7102.5-179.70113.7V9 S10 Q11 G17V9-K13 HydrophobicContact CG1-CD 4.38Å; V9-K13 WeakPolarHBondContact O-CG 3.15Å; V9-K13 PolarHBondContact O-N 2.92Å; S10-K13 PolarHBondContact O-N 2.91Å; Q11-K13 VanDerWaalsContact C-N 3.28Å; Q11-K13 PolarHBondContact O-N 3.49Å; K13-G17 PolarHBondContact O-N 3.18Å; K13-G17 VanDerWaalsContact O-N 3.12Å
14V81.5Confident74.1Confident95 Ų9564.4 Ų64.458%0.57640%0.395SS*.Hα-helixtrans-64.3-42.8177.9165.20000110.9S10 Q11 F12S10-V14 WeakPolarHBondContact O-CB 3.42Å; S10-V14 WeakPolarHBondContact O-CG2 3.43Å; S10-V14 PolarHBondContact O-N 3.41Å; Q11-V14 WeakPolarHBondContact O-CB 3.16Å; Q11-V14 PolarHBondContact O-N 2.96Å; F12-V14 PolarHBondContact O-N 2.79Å
15Y79.5Confident74.5Confident37 Ų3761.7 Ų61.715%0.14537%0.372CS..Hα-helixtrans-82.3-42.7178.9-67-80.5000112.1Q11 F12 G17 N18 E29 K32 L33 S36 Q37Q11-Y15 WeakPolarHBondContact O-CD2 3.23Å; Q11-Y15 PolarHBondContact O-N 3.4Å; F12-Y15 PolarHBondContact O-N 3.06Å; Y15-G17 PolarHBondContact O-N 3.12Å; Y15-G17 VanDerWaalsContact O-N 3.15Å; Y15-N18 WeakPolarHBondContact O-CB 3.39Å; Y15-N18 PolarHBondContact O-N 3.25Å; Y15-N18 VanDerWaalsContact O-N 3.11Å; Y15-E29 WeakPolarHBondContact CA-OE2 3.31Å; Y15-E29 WeakPolarHBondContact CB-OE2 3.23Å; Y15-K32 HydrophobicContact CD1-CB 4.22Å; Y15-K32 HydrophobicContact CE1-CB 4.12Å; Y15-L33 HydrophobicContact CD1-CB 4.27Å; Y15-L33 HydrophobicContact CD2-CB 3.69Å; Y15-L33 HydrophobicContact CD2-CD1 3.58Å; Y15-L33 HydrophobicContact CD2-CG 3.52Å; Y15-L33 HydrophobicContact CE2-CB 4.05Å; Y15-L33 HydrophobicContact CE2-CD1 4.36Å; Y15-L33 HydrophobicContact CE2-CG 3.85Å; Y15-L33 HydrophobicContact CG-CB 3.84Å; Y15-L33 HydrophobicContact CG-CD1 4.11Å; Y15-L33 HydrophobicContact CG-CG 4.15Å; Y15-S36 VanDerWaalsContact OH-CB 3.29Å; Y15-S36 WeakPolarHBondContact OH-CB 3.35Å; Y15-S36 PolarHBondContact OH-OG 3.45Å; Y15-Q37 HydrophobicContact CE2-CG 4.33Å
16A76.4Confident74.6Confident4 Ų460.3 Ų60.33%0.03337%0.369CS..Hα-helixtrans-61.3-27.417800000113.1F12 S21 T24 L25F12-A16 HydrophobicContact CD1-CB 4.13Å; F12-A16 HydrophobicContact CE1-CB 3.86Å; F12-A16 HydrophobicContact CZ-CB 4.31Å; F12-A16 WeakPolarHBondContact O-CB 3.35Å; F12-A16 PolarHBondContact O-N 3.02Å; A16-S21 VanDerWaalsContact O-O 3.08Å; A16-T24 VanDerWaalsContact CA-O 3.31Å; A16-T24 WeakPolarHBondContact CA-O 3.27Å; A16-T24 WeakPolarHBondContact CB-O 3.39Å; A16-L25 HydrophobicContact CB-CD2 3.97Å; A16-L25 HydrophobicContact CB-CG 4.21Å; A16-L25 VanDerWaalsContact N-CD2 3.28Å
17G66.3Low74.4Confident42 Ų4260.4 Ų60.443%0.43336%0.362SS..THydrogen-bonded Turntrans-83.4-3.1178.700000115.5K13 Y15K13-G17 PolarHBondContact O-N 3.18Å; K13-G17 VanDerWaalsContact O-N 3.12Å; Y15-G17 PolarHBondContact O-N 3.12Å; Y15-G17 VanDerWaalsContact O-N 3.15Å
18N63.8Low74.2Confident105 Ų10560.9 Ų60.956%0.56136%0.362SS*.SBendtrans-82.2-31.9-169.9-169.565.8000113.8Y15 E29Y15-N18 WeakPolarHBondContact O-CB 3.39Å; Y15-N18 PolarHBondContact O-N 3.25Å; Y15-N18 VanDerWaalsContact O-N 3.11Å; N18-E29 PolarHBondContact ND2-OE1 3.11Å
19E55.1Low74.3Confident136 Ų13659 Ų5964%0.63635%0.352SS*.SBendtrans-127.99.1-177.4-91.7-168.886.300115.3
20G58.1Low74.2Confident55 Ų5556.9 Ų56.957%0.56734%0.339SS*.SBendtrans169.1-129.2178.100000115.6S22G20-S22 PolarHBondContact O-N 3.18Å
21S57.4Low74Confident77 Ų7757.2 Ų57.254%0.53833%0.334SS..  trans-62119.3-179.1-68.90000110.3A16 S23 T24A16-S21 VanDerWaalsContact O-O 3.08Å; S21-S23 PolarHBondContact O-N 2.82Å; S21-T24 PolarHBondContact O-N 3.15Å; S21-T24 VanDerWaalsContact O-N 3.14Å
22S65.7Low74Confident76 Ų7658.9 Ų58.953%0.53134%0.34SS..THydrogen-bonded Turntrans-637.9-178.4-21.50000115.1G20G20-S22 PolarHBondContact O-N 3.18Å
23S69.7Low74Confident84 Ų8458.8 Ų58.859%0.58734%0.34SS*.THydrogen-bonded Turntrans-115.8-12.4-171.8-57.90000112.6F12 S21F12-S23 WeakPolarHBondContact CZ-O 3.07Å; S21-S23 PolarHBondContact O-N 2.82Å
24T80.4Confident73.8Confident23 Ų2352.6 Ų52.614%0.14131%0.314CS..EExtended strand (participates in β ladder)trans-133.1146.8-175.950.80000111.9A16 S21 E65 L66 T67A16-T24 VanDerWaalsContact CA-O 3.31Å; A16-T24 WeakPolarHBondContact CA-O 3.27Å; A16-T24 WeakPolarHBondContact CB-O 3.39Å; S21-T24 PolarHBondContact O-N 3.15Å; S21-T24 VanDerWaalsContact O-N 3.14Å; T24-E65 WeakPolarHBondContact CB-OE1 3.4Å; T24-E65 HydrophobicContact CG2-CB 4.44Å; T24-E65 PolarHBondContact OG1-OE1 3.49Å; T24-L66 CarbonylContact C-O 3.59Å; T24-L66 WeakPolarHBondContact CA-O 3.32Å; T24-T67 HydrophobicContact CG2-CG2 4.09Å
25L82.9Confident73.5Confident0 Ų051 Ų510%030%0.304CS..EExtended strand (participates in β ladder)trans-105.3115.7172.6-75170.2000109.2F12 A16 E29 F30 L33 E65 L66 F71F12-L25 HydrophobicContact CD2-CD1 3.32Å; F12-L25 HydrophobicContact CD2-CG 3.86Å; F12-L25 HydrophobicContact CE2-CB 4.37Å; F12-L25 HydrophobicContact CE2-CD1 3.36Å; F12-L25 HydrophobicContact CE2-CG 3.56Å; F12-L25 HydrophobicContact CG-CD1 4.32Å; F12-L25 HydrophobicContact CZ-CD1 4.36Å; F12-L25 HydrophobicContact CZ-CG 4.1Å; A16-L25 HydrophobicContact CB-CD2 3.97Å; A16-L25 HydrophobicContact CB-CG 4.21Å; A16-L25 VanDerWaalsContact N-CD2 3.28Å; L25-E29 HydrophobicContact CD2-CB 3.76Å; L25-F30 HydrophobicContact CB-CB 4.33Å; L25-L33 HydrophobicContact CD1-CD1 3.81Å; L25-L33 HydrophobicContact CD2-CD1 4.41Å; L25-E65 WeakPolarHBondContact O-CA 3.41Å; L25-L66 HydrophobicContact CB-CB 4.34Å; L25-L66 PolarHBondContact N-O 3.16Å; L25-L66 PolarHBondContact O-N 3Å; L25-F71 HydrophobicContact CD1-CD2 4.06Å; L25-F71 HydrophobicContact CD1-CE2 4.44Å; L25-F71 HydrophobicContact CD1-CG 4.35Å
26S81.5Confident73.2Confident42 Ų4252.5 Ų52.529%0.29432%0.32SS..EExtended strand (participates in β ladder)trans-65.1163.8166.9-45.20000110.9D28 E29 F30S26-D28 PolarHBondContact O-N 2.89Å; S26-D28 VanDerWaalsContact O-N 3.15Å; S26-E29 PolarHBondContact O-N 2.65Å; S26-E29 VanDerWaalsContact O-N 3.09Å; S26-F30 PolarHBondContact O-N 2.88Å
27K76.9Confident73.1Confident88 Ų8856 Ų5638%0.38334%0.335SS..Hα-helixtrans-48.7-43.4179.1-177.1171.1-99.9175.20113.7H31 D52 M55K27-H31 VanDerWaalsContact O-CB 3.31Å; K27-H31 WeakPolarHBondContact O-CB 3.2Å; K27-H31 PolarHBondContact O-N 2.79Å; K27-D52 VanDerWaalsContact CE-CG 3.44Å; K27-D52 WeakPolarHBondContact CE-OD2 3.34Å; K27-D52 IonicContact NZ-OD1 2.69Å; K27-D52 PolarHBondContact NZ-OD1 3.02Å; K27-D52 IonicContact NZ-OD2 2.6Å; K27-D52 PolarHBondContact NZ-OD2 2.92Å; K27-M55 WeakPolarHBondContact CA-SD 3.29Å; K27-M55 HydrophobicContact CB-CE 3.69Å; K27-M55 HydrophobicContact CB-SD 3.34Å; K27-M55 WeakPolarHBondContact CB-SD 3.32Å; K27-M55 HydrophobicContact CD-SD 4.02Å; K27-M55 VanDerWaalsContact CE-SD 3.5Å; K27-M55 HydrophobicContact CG-CE 4.44Å; K27-M55 HydrophobicContact CG-SD 3.43Å; K27-M55 WeakPolarHBondContact CG-SD 3.33Å
28D78.4Confident73.4Confident87 Ų8755.8 Ų55.847%0.46532%0.324SS..Hα-helixtrans-69.5-42.2-178.4-150-89.3000112.2S26 H31 K32S26-D28 PolarHBondContact O-N 2.89Å; S26-D28 VanDerWaalsContact O-N 3.15Å; D28-H31 WeakPolarHBondContact O-CB 3.33Å; D28-H31 PolarHBondContact O-N 2.68Å; D28-K32 WeakPolarHBondContact O-CG 3.49Å; D28-K32 PolarHBondContact O-N 3.09Å; D28-K32 VanDerWaalsContact OD1-CE 3.31Å; D28-K32 WeakPolarHBondContact OD1-CE 3.35Å; D28-K32 IonicContact OD1-NZ 3.01Å; D28-K32 PolarHBondContact OD1-NZ 3.32Å
29E81.7Confident73.5Confident4 Ų454 Ų542%0.01932%0.318CS..Hα-helixtrans-69.3-39.7178.1-71.7-59.8122.900111.9Y15 N18 L25 S26 H31 K32 L33Y15-E29 WeakPolarHBondContact CA-OE2 3.31Å; Y15-E29 WeakPolarHBondContact CB-OE2 3.23Å; N18-E29 PolarHBondContact ND2-OE1 3.11Å; L25-E29 HydrophobicContact CD2-CB 3.76Å; S26-E29 PolarHBondContact O-N 2.65Å; S26-E29 VanDerWaalsContact O-N 3.09Å; E29-H31 VanDerWaalsContact C-N 3.33Å; E29-H31 PolarHBondContact O-N 3.23Å; E29-K32 PolarHBondContact O-N 3.01Å; E29-K32 IonicContact OE1-NZ 2.79Å; E29-K32 PolarHBondContact OE1-NZ 3.49Å; E29-L33 WeakPolarHBondContact O-CB 3.48Å; E29-L33 PolarHBondContact O-N 3.37Å
30F80.2Confident73.9Confident0 Ų052.9 Ų52.90%032%0.317CS..Hα-helixtrans-60.1-44.8171.1175.1-110.9000111.5L25 S26 K32 L33 V34 I51 L54 M55 L66 F71 L74L25-F30 HydrophobicContact CB-CB 4.33Å; S26-F30 PolarHBondContact O-N 2.88Å; F30-K32 PolarHBondContact O-N 3.15Å; F30-L33 PolarHBondContact O-N 2.97Å; F30-V34 HydrophobicContact CD2-CG2 3.79Å; F30-V34 HydrophobicContact CE1-CG2 4.21Å; F30-V34 HydrophobicContact CE2-CG2 3.38Å; F30-V34 HydrophobicContact CG-CG2 4.35Å; F30-V34 HydrophobicContact CZ-CG2 3.61Å; F30-V34 WeakPolarHBondContact O-CB 3.37Å; F30-V34 VanDerWaalsContact O-CG2 3.27Å; F30-V34 WeakPolarHBondContact O-CG2 3.49Å; F30-V34 PolarHBondContact O-N 2.9Å; F30-I51 HydrophobicContact CD1-CG2 3.84Å; F30-I51 HydrophobicContact CE1-CG2 3.69Å; F30-L54 HydrophobicContact CE1-CD2 4.46Å; F30-L54 HydrophobicContact CZ-CD2 4.09Å; F30-M55 HydrophobicContact CD1-CB 4.38Å; F30-M55 HydrophobicContact CE1-CB 4.34Å; F30-L66 HydrophobicContact CB-CD1 4.09Å; F30-L66 HydrophobicContact CD1-CD1 3.94Å; F30-L66 HydrophobicContact CD2-CD1 3.39Å; F30-L66 HydrophobicContact CE1-CD1 4.19Å; F30-L66 HydrophobicContact CE2-CD1 3.68Å; F30-L66 HydrophobicContact CG-CD1 3.52Å; F30-L66 HydrophobicContact CZ-CD1 4.08Å; F30-F71 HydrophobicContact CD2-CD2 4.25Å; F30-F71 HydrophobicContact CE2-CD2 4.15Å; F30-F71 HydrophobicContact CE2-CE2 4.38Å; F30-L74 HydrophobicContact CE2-CD1 3.89Å; F30-L74 HydrophobicContact CE2-CD2 4.01Å; F30-L74 HydrophobicContact CZ-CD1 3.52Å; F30-L74 HydrophobicContact CZ-CD2 4.4Å
31H77.6Confident74.1Confident64 Ų6451.5 Ų51.530%0.29630%0.295SS..Hα-helixtrans-60-45.4177.3-174.9-116.5000111.9K27 D28 E29 T35 I51K27-H31 VanDerWaalsContact O-CB 3.31Å; K27-H31 WeakPolarHBondContact O-CB 3.2Å; K27-H31 PolarHBondContact O-N 2.79Å; D28-H31 WeakPolarHBondContact O-CB 3.33Å; D28-H31 PolarHBondContact O-N 2.68Å; E29-H31 VanDerWaalsContact C-N 3.33Å; E29-H31 PolarHBondContact O-N 3.23Å; H31-T35 VanDerWaalsContact O-CB 3.3Å; H31-T35 WeakPolarHBondContact O-CB 3.42Å; H31-T35 PolarHBondContact O-N 3.23Å; H31-T35 PolarHBondContact O-OG1 2.88Å; H31-I51 WeakPolarHBondContact CD2-CD1 3.49Å
32K79.6Confident74.1Confident82 Ų8248.1 Ų48.136%0.35727%0.271SS..Hα-helixtrans-63-46.3175.3-75172.8-176.5130.50112.4Y15 D28 E29 F30 T35 S36Y15-K32 HydrophobicContact CD1-CB 4.22Å; Y15-K32 HydrophobicContact CE1-CB 4.12Å; D28-K32 WeakPolarHBondContact O-CG 3.49Å; D28-K32 PolarHBondContact O-N 3.09Å; D28-K32 VanDerWaalsContact OD1-CE 3.31Å; D28-K32 WeakPolarHBondContact OD1-CE 3.35Å; D28-K32 IonicContact OD1-NZ 3.01Å; D28-K32 PolarHBondContact OD1-NZ 3.32Å; E29-K32 PolarHBondContact O-N 3.01Å; E29-K32 IonicContact OE1-NZ 2.79Å; E29-K32 PolarHBondContact OE1-NZ 3.49Å; F30-K32 PolarHBondContact O-N 3.15Å; K32-T35 PolarHBondContact O-N 3.42Å; K32-S36 VanDerWaalsContact O-CB 3.25Å; K32-S36 WeakPolarHBondContact O-CB 3.48Å; K32-S36 PolarHBondContact O-N 3.25Å
33L81.4Confident73.6Confident3 Ų352.9 Ų52.92%0.01628%0.283CS..Hα-helixtrans-60.4-50.7-179.9-172.1162.8000110.3Y15 L25 E29 F30 T35 S36 Q37 F71Y15-L33 HydrophobicContact CD1-CB 4.27Å; Y15-L33 HydrophobicContact CD2-CB 3.69Å; Y15-L33 HydrophobicContact CD2-CD1 3.58Å; Y15-L33 HydrophobicContact CD2-CG 3.52Å; Y15-L33 HydrophobicContact CE2-CB 4.05Å; Y15-L33 HydrophobicContact CE2-CD1 4.36Å; Y15-L33 HydrophobicContact CE2-CG 3.85Å; Y15-L33 HydrophobicContact CG-CB 3.84Å; Y15-L33 HydrophobicContact CG-CD1 4.11Å; Y15-L33 HydrophobicContact CG-CG 4.15Å; L25-L33 HydrophobicContact CD1-CD1 3.81Å; L25-L33 HydrophobicContact CD2-CD1 4.41Å; E29-L33 WeakPolarHBondContact O-CB 3.48Å; E29-L33 PolarHBondContact O-N 3.37Å; F30-L33 PolarHBondContact O-N 2.97Å; L33-T35 VanDerWaalsContact C-N 3.32Å; L33-T35 PolarHBondContact O-N 3.44Å; L33-S36 PolarHBondContact O-N 3.24Å; L33-Q37 HydrophobicContact CD2-CB 4.24Å; L33-Q37 HydrophobicContact CD2-CG 4.27Å; L33-Q37 HydrophobicContact CG-CG 4.36Å; L33-Q37 WeakPolarHBondContact O-CB 3.12Å; L33-Q37 PolarHBondContact O-N 2.95Å; L33-F71 HydrophobicContact CD1-CE2 4.17Å; L33-F71 HydrophobicContact CD1-CZ 3.99Å; L33-F71 HydrophobicContact CD2-CE2 3.68Å; L33-F71 HydrophobicContact CD2-CZ 3.59Å
34V75.7Confident72.8Confident1 Ų155.3 Ų55.31%0.00629%0.289CS..Hα-helixtrans-65.1-37.6-177.7174.30000110.9F30 L38 F41 V42 I51F30-V34 HydrophobicContact CD2-CG2 3.79Å; F30-V34 HydrophobicContact CE1-CG2 4.21Å; F30-V34 HydrophobicContact CE2-CG2 3.38Å; F30-V34 HydrophobicContact CG-CG2 4.35Å; F30-V34 HydrophobicContact CZ-CG2 3.61Å; F30-V34 WeakPolarHBondContact O-CB 3.37Å; F30-V34 VanDerWaalsContact O-CG2 3.27Å; F30-V34 WeakPolarHBondContact O-CG2 3.49Å; F30-V34 PolarHBondContact O-N 2.9Å; V34-L38 HydrophobicContact CG1-CB 4.47Å; V34-L38 HydrophobicContact CG2-CD1 4.46Å; V34-L38 CarbonylContact O-C 3.35Å; V34-L38 VanDerWaalsContact O-CA 3.26Å; V34-L38 WeakPolarHBondContact O-CA 3.36Å; V34-L38 WeakPolarHBondContact O-CB 3.4Å; V34-L38 PolarHBondContact O-N 2.93Å; V34-F41 HydrophobicContact CG1-CD1 3.99Å; V34-V42 VanDerWaalsContact C-CG2 3.49Å; V34-V42 HydrophobicContact CB-CG2 4.22Å; V34-V42 HydrophobicContact CG1-CG2 3.35Å; V34-V42 WeakPolarHBondContact O-CG2 3.39Å; V34-I51 HydrophobicContact CG1-CD1 4.45Å
35T74.5Confident71.5Confident61 Ų6154.4 Ų54.437%0.37428%0.284SS..Hα-helixtrans-68-37175.2-54.80000113H31 K32 L33 V42H31-T35 VanDerWaalsContact O-CB 3.3Å; H31-T35 WeakPolarHBondContact O-CB 3.42Å; H31-T35 PolarHBondContact O-N 3.23Å; H31-T35 PolarHBondContact O-OG1 2.88Å; K32-T35 PolarHBondContact O-N 3.42Å; L33-T35 VanDerWaalsContact C-N 3.32Å; L33-T35 PolarHBondContact O-N 3.44Å; T35-V42 HydrophobicContact CG2-CG1 4.22Å
36S74.9Confident70.3Confident68 Ų6858 Ų5848%0.47631%0.309SS..Hα-helixtrans-83.9-44.7-176.4-169.10000113.1Y15 K32 L33Y15-S36 VanDerWaalsContact OH-CB 3.29Å; Y15-S36 WeakPolarHBondContact OH-CB 3.35Å; Y15-S36 PolarHBondContact OH-OG 3.45Å; K32-S36 VanDerWaalsContact O-CB 3.25Å; K32-S36 WeakPolarHBondContact O-CB 3.48Å; K32-S36 PolarHBondContact O-N 3.25Å; L33-S36 PolarHBondContact O-N 3.24Å
37Q73.9Confident69.7Low78 Ų7860.4 Ų60.436%0.36432%0.318SS..Hα-helixtrans-91.8-26.8-175-61.5-58.1-61.400113.1Q11 Y15 L33 P39Q11-Q37 HydrophobicContact CB-CG 4.29Å; Q11-Q37 VanDerWaalsContact CD-CD 3.48Å; Q11-Q37 HydrophobicContact CG-CG 4.05Å; Q11-Q37 VanDerWaalsContact OE1-NE2 3.09Å; Y15-Q37 HydrophobicContact CE2-CG 4.33Å; L33-Q37 HydrophobicContact CD2-CB 4.24Å; L33-Q37 HydrophobicContact CD2-CG 4.27Å; L33-Q37 HydrophobicContact CG-CG 4.36Å; L33-Q37 WeakPolarHBondContact O-CB 3.12Å; L33-Q37 PolarHBondContact O-N 2.95Å; Q37-P39 WeakPolarHBondContact O-CD 3.33Å
38L71.6Confident69.3Low37 Ų3760.3 Ų60.319%0.19433%0.327CS..  trans-12553.9-176.1-60.8162000111.9V34 N40 F41 V42 I75 L78V34-L38 HydrophobicContact CG1-CB 4.47Å; V34-L38 HydrophobicContact CG2-CD1 4.46Å; V34-L38 CarbonylContact O-C 3.35Å; V34-L38 VanDerWaalsContact O-CA 3.26Å; V34-L38 WeakPolarHBondContact O-CA 3.36Å; V34-L38 WeakPolarHBondContact O-CB 3.4Å; V34-L38 PolarHBondContact O-N 2.93Å; L38-N40 PolarHBondContact O-N 3.16Å; L38-N40 VanDerWaalsContact O-N 3.11Å; L38-F41 HydrophobicContact CB-CB 4.02Å; L38-F41 WeakPolarHBondContact O-CB 3.34Å; L38-F41 PolarHBondContact O-N 2.86Å; L38-V42 PolarHBondContact O-N 3.05Å; L38-I75 HydrophobicContact CD1-CD1 3.87Å; L38-L78 HydrophobicContact CD1-CD1 3.77Å
39P66.1Low69.2Low68 Ų6858.8 Ų58.844%0.44233%0.327SS..Hα-helixtrans-61.5-26.8-175.625.6-35.2000113.3Q37 K43Q37-P39 WeakPolarHBondContact O-CD 3.33Å; P39-K43 PolarHBondContact O-N 3.48Å
40N64.2Low68.9Low113 Ų11360.9 Ų60.960%0.60434%0.342SS*.Hα-helixtrans-72.7-29.8174.5-71-65.3000113L38L38-N40 PolarHBondContact O-N 3.16Å; L38-N40 VanDerWaalsContact O-N 3.11Å
41F61.4Low68.6Low25 Ų2561.1 Ų61.111%0.1134%0.343CS..Hα-helixtrans-78.4-40.9174.3-173.8-108.7000110.8V34 L38 K43 N44 A45 L54 L78V34-F41 HydrophobicContact CG1-CD1 3.99Å; L38-F41 HydrophobicContact CB-CB 4.02Å; L38-F41 WeakPolarHBondContact O-CB 3.34Å; L38-F41 PolarHBondContact O-N 2.86Å; F41-K43 VanDerWaalsContact C-N 3.32Å; F41-K43 PolarHBondContact O-N 2.93Å; F41-N44 PolarHBondContact O-N 3.12Å; F41-A45 HydrophobicContact CD1-CB 4.32Å; F41-A45 HydrophobicContact CE1-CB 4Å; F41-A45 HydrophobicContact CZ-CB 4.4Å; F41-A45 PolarHBondContact O-N 2.81Å; F41-L54 HydrophobicContact CE1-CD1 4.35Å; F41-L54 HydrophobicContact CE1-CD2 3.94Å; F41-L54 HydrophobicContact CZ-CD1 3.98Å; F41-L54 HydrophobicContact CZ-CD2 4.3Å; F41-L78 HydrophobicContact CD1-CD1 4.25Å; F41-L78 HydrophobicContact CD1-CD2 3.78Å; F41-L78 HydrophobicContact CD2-CD2 3.25Å; F41-L78 HydrophobicContact CE1-CD1 4.45Å; F41-L78 HydrophobicContact CE1-CD2 3.56Å; F41-L78 HydrophobicContact CE2-CD2 3Å; F41-L78 HydrophobicContact CE2-CG 4.47Å; F41-L78 HydrophobicContact CG-CD1 4.41Å; F41-L78 HydrophobicContact CG-CD2 3.65Å; F41-L78 HydrophobicContact CZ-CD2 3.17Å
42V57.4Low68.6Low6 Ų661.5 Ų61.54%0.03635%0.347CS..Hα-helixtrans-66-29.5174.9169.20000112.7V34 T35 L38 N44 A45 S46 I51V34-V42 VanDerWaalsContact C-CG2 3.49Å; V34-V42 HydrophobicContact CB-CG2 4.22Å; V34-V42 HydrophobicContact CG1-CG2 3.35Å; V34-V42 WeakPolarHBondContact O-CG2 3.39Å; T35-V42 HydrophobicContact CG2-CG1 4.22Å; L38-V42 PolarHBondContact O-N 3.05Å; V42-N44 PolarHBondContact O-N 3.47Å; V42-A45 CarbonylContact O-C 3.6Å; V42-A45 PolarHBondContact O-N 3.38Å; V42-S46 WeakPolarHBondContact CG1-OG 3.25Å; V42-S46 WeakPolarHBondContact O-CA 3.46Å; V42-S46 WeakPolarHBondContact O-CB 3.43Å; V42-S46 PolarHBondContact O-N 2.98Å; V42-S46 PolarHBondContact O-OG 3.44Å; V42-I51 HydrophobicContact CG2-CD1 4.2Å
43K55.7Low68.6Low177 Ų17764.2 Ų64.277%0.7736%0.361SS*.Hα-helixtrans-54-29.1169-91.2-178.8176.2176.90113.9P39 F41P39-K43 PolarHBondContact O-N 3.48Å; F41-K43 VanDerWaalsContact C-N 3.32Å; F41-K43 PolarHBondContact O-N 2.93Å
44N53.5Low68.4Low134 Ų13466.4 Ų66.472%0.71737%0.372SS*.Hα-helixtrans-96.6-20.4174.9-165.693.9000113.1F41 V42F41-N44 PolarHBondContact O-N 3.12Å; V42-N44 PolarHBondContact O-N 3.47Å
45A52.9Low68.5Low5 Ų566.5 Ų66.54%0.04137%0.373CS..Hα-helixtrans-117.317.2-175.900000113.4F41 V42 D47 I51F41-A45 HydrophobicContact CD1-CB 4.32Å; F41-A45 HydrophobicContact CE1-CB 4Å; F41-A45 HydrophobicContact CZ-CB 4.4Å; F41-A45 PolarHBondContact O-N 2.81Å; V42-A45 CarbonylContact O-C 3.6Å; V42-A45 PolarHBondContact O-N 3.38Å; A45-D47 PolarHBondContact O-N 2.9Å; A45-D47 VanDerWaalsContact O-N 3.09Å; A45-I51 HydrophobicContact CB-CG1 4.37Å; A45-I51 WeakPolarHBondContact O-CD1 3.06Å; A45-I51 WeakPolarHBondContact O-CG1 3.44Å
46S56.6Low68.7Low76 Ų7666.9 Ų66.953%0.53138%0.378SS..  trans-68.9-10.3-172.3-118.50000113.4V42V42-S46 WeakPolarHBondContact CG1-OG 3.25Å; V42-S46 WeakPolarHBondContact O-CA 3.46Å; V42-S46 WeakPolarHBondContact O-CB 3.43Å; V42-S46 PolarHBondContact O-N 2.98Å; V42-S46 PolarHBondContact O-OG 3.44Å
47D70.3Confident69Low91 Ų9167.8 Ų67.849%0.48738%0.384SS..SBendtrans-74.4122.9172.4-168.2-86.9000108.7A45 A49 S50 I51A45-D47 PolarHBondContact O-N 2.9Å; A45-D47 VanDerWaalsContact O-N 3.09Å; D47-A49 PolarHBondContact O-N 3.32Å; D47-A49 VanDerWaalsContact O-N 3.11Å; D47-A49 WeakPolarHBondContact OD1-CA 3.31Å; D47-A49 WeakPolarHBondContact OD1-CB 3.3Å; D47-A49 PolarHBondContact OD1-N 3.49Å; D47-S50 WeakPolarHBondContact O-CA 3.31Å; D47-S50 VanDerWaalsContact O-CB 3.31Å; D47-S50 WeakPolarHBondContact O-CB 3.43Å; D47-S50 PolarHBondContact O-N 2.79Å; D47-I51 PolarHBondContact O-N 2.91Å; D47-I51 VanDerWaalsContact O-N 3.16Å
48P67.6Low69.2Low87 Ų8765 Ų6557%0.56537%0.372SS*.Hα-helixtrans-55.5-31.9-179.919.6-30.2000111.7S50 I51 D52P48-S50 VanDerWaalsContact C-N 3.33Å; P48-S50 PolarHBondContact O-N 3.23Å; P48-I51 PolarHBondContact O-N 2.98Å; P48-D52 VanDerWaalsContact O-CB 3.31Å; P48-D52 WeakPolarHBondContact O-CB 3.41Å; P48-D52 PolarHBondContact O-N 3.17Å
49A75.7Confident69.7Low55 Ų5563.5 Ų63.546%0.45536%0.364SS..Hα-helixtrans-69.8-29.8175.500000112.7D47 D52 Q53D47-A49 PolarHBondContact O-N 3.32Å; D47-A49 VanDerWaalsContact O-N 3.11Å; D47-A49 WeakPolarHBondContact OD1-CA 3.31Å; D47-A49 WeakPolarHBondContact OD1-CB 3.3Å; D47-A49 PolarHBondContact OD1-N 3.49Å; A49-D52 PolarHBondContact O-N 3.42Å; A49-Q53 WeakPolarHBondContact O-CB 3.26Å; A49-Q53 WeakPolarHBondContact O-CG 3.27Å; A49-Q53 PolarHBondContact O-N 3.34Å
50S75.6Confident70.2Confident48 Ų4868.3 Ų68.334%0.33638%0.38SS..Hα-helixtrans-68.9-41.4173.2-65.40000111.5D47 P48 L54D47-S50 WeakPolarHBondContact O-CA 3.31Å; D47-S50 VanDerWaalsContact O-CB 3.31Å; D47-S50 WeakPolarHBondContact O-CB 3.43Å; D47-S50 PolarHBondContact O-N 2.79Å; P48-S50 VanDerWaalsContact C-N 3.33Å; P48-S50 PolarHBondContact O-N 3.23Å; S50-L54 VanDerWaalsContact O-CB 3.26Å; S50-L54 WeakPolarHBondContact O-CB 3.14Å; S50-L54 PolarHBondContact O-N 2.95Å
51I75.1Confident70.9Confident5 Ų566.8 Ų66.83%0.02637%0.372CS..Hα-helixtrans-69.4-37174.9-58.4-156.9000110.8F30 H31 V34 V42 A45 D47 P48 L54 M55F30-I51 HydrophobicContact CD1-CG2 3.84Å; F30-I51 HydrophobicContact CE1-CG2 3.69Å; H31-I51 WeakPolarHBondContact CD2-CD1 3.49Å; V34-I51 HydrophobicContact CG1-CD1 4.45Å; V42-I51 HydrophobicContact CG2-CD1 4.2Å; A45-I51 HydrophobicContact CB-CG1 4.37Å; A45-I51 WeakPolarHBondContact O-CD1 3.06Å; A45-I51 WeakPolarHBondContact O-CG1 3.44Å; D47-I51 PolarHBondContact O-N 2.91Å; D47-I51 VanDerWaalsContact O-N 3.16Å; P48-I51 PolarHBondContact O-N 2.98Å; I51-L54 PolarHBondContact O-N 3.47Å; I51-M55 VanDerWaalsContact O-CB 3.26Å; I51-M55 WeakPolarHBondContact O-CB 3.3Å; I51-M55 PolarHBondContact O-N 3Å
52D77.6Confident71.5Confident71 Ų7171.2 Ų71.238%0.3840%0.397SS..Hα-helixtrans-59.2-49.6173.7-142.4-72.6000111.7K27 P48 A49 L54 M55 S56K27-D52 VanDerWaalsContact CE-CG 3.44Å; K27-D52 WeakPolarHBondContact CE-OD2 3.34Å; K27-D52 IonicContact NZ-OD1 2.69Å; K27-D52 PolarHBondContact NZ-OD1 3.02Å; K27-D52 IonicContact NZ-OD2 2.6Å; K27-D52 PolarHBondContact NZ-OD2 2.92Å; P48-D52 VanDerWaalsContact O-CB 3.31Å; P48-D52 WeakPolarHBondContact O-CB 3.41Å; P48-D52 PolarHBondContact O-N 3.17Å; A49-D52 PolarHBondContact O-N 3.42Å; D52-L54 VanDerWaalsContact C-N 3.34Å; D52-L54 PolarHBondContact O-N 2.73Å; D52-M55 PolarHBondContact O-N 3.1Å; D52-S56 VanDerWaalsContact O-CB 3.31Å; D52-S56 WeakPolarHBondContact O-CB 3.12Å; D52-S56 PolarHBondContact O-N 3.39Å
53Q79Confident72.5Confident139 Ų13976 Ų7665%0.6542%0.422SS*.Hα-helixtrans-64.8-38.4176-82.2-156-96.400112.4A49 S57A49-Q53 WeakPolarHBondContact O-CB 3.26Å; A49-Q53 WeakPolarHBondContact O-CG 3.27Å; A49-Q53 PolarHBondContact O-N 3.34Å; Q53-S57 VanDerWaalsContact O-CB 3.29Å; Q53-S57 WeakPolarHBondContact O-CB 3.26Å; Q53-S57 PolarHBondContact O-N 3.04Å; Q53-S57 PolarHBondContact O-OG 2.91Å
54L77.3Confident73.5Confident49 Ų4969.3 Ų69.326%0.25740%0.404SS..Hα-helixtrans-64.7-50.1178.2-154.3103.6000109.5F30 F41 S50 I51 D52 S56 S57 I58 L74F30-L54 HydrophobicContact CE1-CD2 4.46Å; F30-L54 HydrophobicContact CZ-CD2 4.09Å; F41-L54 HydrophobicContact CE1-CD1 4.35Å; F41-L54 HydrophobicContact CE1-CD2 3.94Å; F41-L54 HydrophobicContact CZ-CD1 3.98Å; F41-L54 HydrophobicContact CZ-CD2 4.3Å; S50-L54 VanDerWaalsContact O-CB 3.26Å; S50-L54 WeakPolarHBondContact O-CB 3.14Å; S50-L54 PolarHBondContact O-N 2.95Å; I51-L54 PolarHBondContact O-N 3.47Å; D52-L54 VanDerWaalsContact C-N 3.34Å; D52-L54 PolarHBondContact O-N 2.73Å; L54-S56 PolarHBondContact O-N 3.3Å; L54-S57 WeakPolarHBondContact O-CB 2.91Å; L54-S57 PolarHBondContact O-N 2.85Å; L54-S57 VanDerWaalsContact O-N 3.11Å; L54-I58 HydrophobicContact CD2-CD1 3.84Å; L54-I58 HydrophobicContact CG-CD1 3.88Å; L54-I58 WeakPolarHBondContact O-CD1 3.17Å; L54-I58 WeakPolarHBondContact O-CG1 3.34Å; L54-I58 PolarHBondContact O-N 3.4Å; L54-L74 HydrophobicContact CD2-CD1 3.24Å; L54-L74 HydrophobicContact CG-CD1 4.37Å
55M77.3Confident74.9Confident4 Ų465.7 Ų65.72%0.0238%0.383CS..Hα-helixtrans-57-51.3176-175.8-176.3-177.500110.5K27 F30 I51 D52 S57 I58 D59 G64 L66K27-M55 WeakPolarHBondContact CA-SD 3.29Å; K27-M55 HydrophobicContact CB-CE 3.69Å; K27-M55 HydrophobicContact CB-SD 3.34Å; K27-M55 WeakPolarHBondContact CB-SD 3.32Å; K27-M55 HydrophobicContact CD-SD 4.02Å; K27-M55 VanDerWaalsContact CE-SD 3.5Å; K27-M55 HydrophobicContact CG-CE 4.44Å; K27-M55 HydrophobicContact CG-SD 3.43Å; K27-M55 WeakPolarHBondContact CG-SD 3.33Å; F30-M55 HydrophobicContact CD1-CB 4.38Å; F30-M55 HydrophobicContact CE1-CB 4.34Å; I51-M55 VanDerWaalsContact O-CB 3.26Å; I51-M55 WeakPolarHBondContact O-CB 3.3Å; I51-M55 PolarHBondContact O-N 3Å; D52-M55 PolarHBondContact O-N 3.1Å; M55-S57 PolarHBondContact O-N 3.35Å; M55-I58 CarbonylContact O-C 3.17Å; M55-I58 PolarHBondContact O-N 3.21Å; M55-D59 WeakPolarHBondContact O-CB 3.47Å; M55-D59 PolarHBondContact O-N 3.38Å; M55-G64 WeakPolarHBondContact CE-O 3.19Å; M55-L66 HydrophobicContact CE-CG 4.33Å; M55-L66 HydrophobicContact CG-CD1 4.16Å; M55-L66 HydrophobicContact CG-CD2 4.38Å; M55-L66 HydrophobicContact CG-CG 4.2Å
56S79.3Confident76.3Confident68 Ų6865.5 Ų65.548%0.47638%0.381SS..Hα-helixtrans-62.6-25.7178.3-175.40000113.4D52 L54 I58D52-S56 VanDerWaalsContact O-CB 3.31Å; D52-S56 WeakPolarHBondContact O-CB 3.12Å; D52-S56 PolarHBondContact O-N 3.39Å; L54-S56 PolarHBondContact O-N 3.3Å; S56-I58 VanDerWaalsContact C-N 3.3Å
57S80.1Confident77.6Confident88 Ų8864.1 Ų64.162%0.61537%0.369SS*.THydrogen-bonded Turntrans-80.5-10174-61.20000113.9Q53 L54 M55Q53-S57 VanDerWaalsContact O-CB 3.29Å; Q53-S57 WeakPolarHBondContact O-CB 3.26Å; Q53-S57 PolarHBondContact O-N 3.04Å; Q53-S57 PolarHBondContact O-OG 2.91Å; L54-S57 WeakPolarHBondContact O-CB 2.91Å; L54-S57 PolarHBondContact O-N 2.85Å; L54-S57 VanDerWaalsContact O-N 3.11Å; M55-S57 PolarHBondContact O-N 3.35Å
58I78.3Confident78.1Confident19 Ų1963.4 Ų63.410%0.09736%0.362CS..THydrogen-bonded Turntrans-114.4-34.9-175.4-62.4157.8000110.6L54 M55 S56 E60 L66 E70 L74L54-I58 HydrophobicContact CD2-CD1 3.84Å; L54-I58 HydrophobicContact CG-CD1 3.88Å; L54-I58 WeakPolarHBondContact O-CD1 3.17Å; L54-I58 WeakPolarHBondContact O-CG1 3.34Å; L54-I58 PolarHBondContact O-N 3.4Å; M55-I58 CarbonylContact O-C 3.17Å; M55-I58 PolarHBondContact O-N 3.21Å; S56-I58 VanDerWaalsContact C-N 3.3Å; I58-E60 PolarHBondContact O-N 3.19Å; I58-L66 HydrophobicContact CB-CD2 4.06Å; I58-L66 HydrophobicContact CG2-CD2 3.72Å; I58-E70 HydrophobicContact CG2-CB 3.9Å; I58-E70 WeakPolarHBondContact CG2-O 3.07Å; I58-L74 HydrophobicContact CD1-CB 3.95Å; I58-L74 HydrophobicContact CD1-CD1 3.2Å; I58-L74 HydrophobicContact CD1-CG 4.15Å
59D82.3Confident78.9Confident5 Ų563 Ų633%0.02736%0.362CS..  trans-68.376.4172.2-160.9-99000108.5M55 N61 N62 D63 G64 E65 L66 E70M55-D59 WeakPolarHBondContact O-CB 3.47Å; M55-D59 PolarHBondContact O-N 3.38Å; D59-N61 PolarHBondContact O-N 2.8Å; D59-N61 PolarHBondContact OD1-OD1 2.93Å; D59-N62 PolarHBondContact O-N 2.9Å; D59-N62 PolarHBondContact O-ND2 3.42Å; D59-N62 VanDerWaalsContact O-ND2 3.13Å; D59-N62 WeakPolarHBondContact OD1-CA 3.4Å; D59-N62 PolarHBondContact OD1-N 3.13Å; D59-N62 VanDerWaalsContact OD1-N 3.08Å; D59-D63 PolarHBondContact OD1-N 3.08Å; D59-G64 PolarHBondContact OD1-N 2.91Å; D59-G64 PolarHBondContact OD2-N 2.99Å; D59-E65 VanDerWaalsContact OD2-C 3.28Å; D59-E65 PolarHBondContact OD2-N 2.87Å; D59-L66 HydrophobicContact CB-CD2 4.03Å; D59-E70 WeakPolarHBondContact CA-OE1 3.07Å
60E76.8Confident79.3Confident169 Ų16961.2 Ų61.279%0.7934%0.343SS*.THydrogen-bonded Turntrans-67.9-30.6-176.4-72.1-170.290.500110.8I58 N62 E70I58-E60 PolarHBondContact O-N 3.19Å; E60-N62 VanDerWaalsContact C-N 3.29Å; E60-N62 PolarHBondContact O-N 3.19Å; E60-N62 PolarHBondContact O-ND2 2.75Å; E60-E70 PolarHBondContact N-OE1 3.11Å; E60-E70 VanDerWaalsContact N-OE1 3.12Å
61N79.3Confident79.6Confident82 Ų8259 Ų5944%0.43933%0.328SS..THydrogen-bonded Turntrans-75.7-12.8175.762.2-8.7000113.7D59 D63 E70D59-N61 PolarHBondContact O-N 2.8Å; D59-N61 PolarHBondContact OD1-OD1 2.93Å; N61-D63 HydrophobicContact CB-CB 4.4Å; N61-D63 WeakPolarHBondContact ND2-CB 3.49Å; N61-D63 PolarHBondContact O-N 3.25Å; N61-D63 PolarHBondContact OD1-N 3.11Å; N61-E70 PolarHBondContact OD1-OE1 3.19Å
62N74.3Confident79.9Confident117 Ų11763.1 Ų63.163%0.62634%0.343SS*.  trans5331.8-177.4-73.1-106.4000112.5D59 E60 G64D59-N62 PolarHBondContact O-N 2.9Å; D59-N62 PolarHBondContact O-ND2 3.42Å; D59-N62 VanDerWaalsContact O-ND2 3.13Å; D59-N62 WeakPolarHBondContact OD1-CA 3.4Å; D59-N62 PolarHBondContact OD1-N 3.13Å; D59-N62 VanDerWaalsContact OD1-N 3.08Å; E60-N62 VanDerWaalsContact C-N 3.29Å; E60-N62 PolarHBondContact O-N 3.19Å; E60-N62 PolarHBondContact O-ND2 2.75Å; N62-G64 VanDerWaalsContact C-N 3.34Å
63D78.6Confident80.1Confident106 Ų10665.1 Ų65.157%0.56735%0.35SS*.SBendtrans-85.7-14179-162.2-127.6000111.2D59 N61 E65D59-D63 PolarHBondContact OD1-N 3.08Å; N61-D63 HydrophobicContact CB-CB 4.4Å; N61-D63 WeakPolarHBondContact ND2-CB 3.49Å; N61-D63 PolarHBondContact O-N 3.25Å; N61-D63 PolarHBondContact OD1-N 3.11Å; D63-E65 VanDerWaalsContact C-N 3.29Å
64G75.6Confident80Confident37 Ų3758.7 Ų58.738%0.38132%0.32SS..SBendtrans76.520.3-176.200000112.8M55 D59 N62M55-G64 WeakPolarHBondContact CE-O 3.19Å; D59-G64 PolarHBondContact OD1-N 2.91Å; D59-G64 PolarHBondContact OD2-N 2.99Å; N62-G64 VanDerWaalsContact C-N 3.34Å
65E83.4Confident80Confident59 Ų5957.7 Ų57.728%0.27632%0.315SS..EExtended strand (participates in β ladder)trans-142122.2-177.4-68.7-1617600110.4T24 L25 D59 D63T24-E65 WeakPolarHBondContact CB-OE1 3.4Å; T24-E65 HydrophobicContact CG2-CB 4.44Å; T24-E65 PolarHBondContact OG1-OE1 3.49Å; L25-E65 WeakPolarHBondContact O-CA 3.41Å; D59-E65 VanDerWaalsContact OD2-C 3.28Å; D59-E65 PolarHBondContact OD2-N 2.87Å; D63-E65 VanDerWaalsContact C-N 3.29Å
66L83.1Confident80.1Confident0 Ų059 Ų590%033%0.33CS..EExtended strand (participates in β ladder)trans-87.2119.4178.9-66.3174.6000111.2T24 L25 F30 M55 I58 D59 E70T24-L66 CarbonylContact C-O 3.59Å; T24-L66 WeakPolarHBondContact CA-O 3.32Å; L25-L66 HydrophobicContact CB-CB 4.34Å; L25-L66 PolarHBondContact N-O 3.16Å; L25-L66 PolarHBondContact O-N 3Å; F30-L66 HydrophobicContact CB-CD1 4.09Å; F30-L66 HydrophobicContact CD1-CD1 3.94Å; F30-L66 HydrophobicContact CD2-CD1 3.39Å; F30-L66 HydrophobicContact CE1-CD1 4.19Å; F30-L66 HydrophobicContact CE2-CD1 3.68Å; F30-L66 HydrophobicContact CG-CD1 3.52Å; F30-L66 HydrophobicContact CZ-CD1 4.08Å; M55-L66 HydrophobicContact CE-CG 4.33Å; M55-L66 HydrophobicContact CG-CD1 4.16Å; M55-L66 HydrophobicContact CG-CD2 4.38Å; M55-L66 HydrophobicContact CG-CG 4.2Å; I58-L66 HydrophobicContact CB-CD2 4.06Å; I58-L66 HydrophobicContact CG2-CD2 3.72Å; D59-L66 HydrophobicContact CB-CD2 4.03Å; L66-E70 HydrophobicContact CD2-CB 4.06Å
67T83.7Confident79.9Confident47 Ų4762.5 Ų62.529%0.28834%0.336SS..EExtended strand (participates in β ladder)trans-71.8164.1170.264.80000111.6T24 S69 E70 F71T24-T67 HydrophobicContact CG2-CG2 4.09Å; T67-S69 PolarHBondContact O-N 3.3Å; T67-S69 VanDerWaalsContact O-N 3.16Å; T67-E70 WeakPolarHBondContact CB-OE2 3.04Å; T67-E70 WeakPolarHBondContact CG2-OE2 3.48Å; T67-E70 PolarHBondContact N-OE2 3.2Å; T67-E70 PolarHBondContact O-N 2.88Å; T67-E70 VanDerWaalsContact O-N 3.16Å; T67-E70 PolarHBondContact OG1-N 3.42Å; T67-E70 PolarHBondContact OG1-OE2 2.98Å; T67-F71 WeakPolarHBondContact O-CB 3.18Å; T67-F71 PolarHBondContact O-N 3.49Å
68F81.4Confident79.5Confident77 Ų7759 Ų5934%0.33831%0.311SS..Hα-helixtrans-55.4-34.4175.1-177.2-100.1000112.8V9 F12 W72V9-F68 HydrophobicContact CB-CE2 4.3Å; V9-F68 HydrophobicContact CG2-CE2 3.64Å; V9-F68 HydrophobicContact CG2-CZ 3.46Å; V9-F68 VanDerWaalsContact CG2-CZ 3.46Å; F12-F68 HydrophobicContact CB-CD2 4.25Å; F12-F68 HydrophobicContact CB-CE2 4.42Å; F12-F68 HydrophobicContact CD1-CB 4.43Å; F12-F68 AromaticContact CD1-CD2 3.76Å; F12-F68 HydrophobicContact CD1-CD2 3.76Å; F12-F68 HydrophobicContact CD2-CD2 4.11Å; F12-F68 HydrophobicContact CE1-CB 3.93Å; F12-F68 HydrophobicContact CE1-CD2 4.13Å; F12-F68 HydrophobicContact CE2-CB 4.39Å; F12-F68 HydrophobicContact CE2-CD2 4.44Å; F12-F68 AromaticContact CG-CD2 3.76Å; F12-F68 HydrophobicContact CG-CD2 3.76Å; F12-F68 HydrophobicContact CG-CE2 4.41Å; F12-F68 HydrophobicContact CZ-CB 3.92Å; F12-F68 HydrophobicContact CZ-CD2 4.46Å; F68-W72 HydrophobicContact CE1-CE3 4.48Å; F68-W72 AromaticContact CZ-CE3 3.94Å; F68-W72 HydrophobicContact CZ-CE3 3.94Å; F68-W72 VanDerWaalsContact O-CB 3.23Å; F68-W72 WeakPolarHBondContact O-CB 3.26Å; F68-W72 PolarHBondContact O-N 3.47Å
69S82.8Confident79.1Confident79 Ų7961 Ų6155%0.55233%0.33SS*.Hα-helixtrans-65.7-47178.3-173.40000111.7T67 W72 Q73T67-S69 PolarHBondContact O-N 3.3Å; T67-S69 VanDerWaalsContact O-N 3.16Å; S69-W72 WeakPolarHBondContact O-CB 3.31Å; S69-W72 PolarHBondContact O-N 3.3Å; S69-Q73 WeakPolarHBondContact O-CG 3.31Å; S69-Q73 PolarHBondContact O-N 2.69Å
70E84.6Confident78.4Confident16 Ų1664.2 Ų64.28%0.07535%0.353CS..Hα-helixtrans-64.7-43.8178.4-75.2167.8118.300111.6I58 D59 E60 N61 L66 T67 W72 Q73 L74I58-E70 HydrophobicContact CG2-CB 3.9Å; I58-E70 WeakPolarHBondContact CG2-O 3.07Å; D59-E70 WeakPolarHBondContact CA-OE1 3.07Å; E60-E70 PolarHBondContact N-OE1 3.11Å; E60-E70 VanDerWaalsContact N-OE1 3.12Å; N61-E70 PolarHBondContact OD1-OE1 3.19Å; L66-E70 HydrophobicContact CD2-CB 4.06Å; T67-E70 WeakPolarHBondContact CB-OE2 3.04Å; T67-E70 WeakPolarHBondContact CG2-OE2 3.48Å; T67-E70 PolarHBondContact N-OE2 3.2Å; T67-E70 PolarHBondContact O-N 2.88Å; T67-E70 VanDerWaalsContact O-N 3.16Å; T67-E70 PolarHBondContact OG1-N 3.42Å; T67-E70 PolarHBondContact OG1-OE2 2.98Å; E70-W72 VanDerWaalsContact C-N 3.33Å; E70-W72 PolarHBondContact O-N 2.9Å; E70-Q73 WeakPolarHBondContact O-CB 3.29Å; E70-Q73 PolarHBondContact O-N 2.76Å; E70-L74 PolarHBondContact O-N 2.79Å
71F81.3Confident77.8Confident2 Ų264.2 Ų64.21%0.00935%0.351CS..Hα-helixtrans-61.6-40.7173.2178.6-105.5000112.3I8 F12 L25 F30 L33 T67 L74 I75I8-F71 HydrophobicContact CG2-CD1 4.49Å; I8-F71 HydrophobicContact CG2-CE1 3.6Å; I8-F71 HydrophobicContact CG2-CZ 4.35Å; F12-F71 HydrophobicContact CB-CD1 4.34Å; F12-F71 HydrophobicContact CB-CE1 4.22Å; F12-F71 HydrophobicContact CD2-CB 3.88Å; F12-F71 AromaticContact CD2-CD1 3.45Å; F12-F71 HydrophobicContact CD2-CD1 3.45Å; F12-F71 VanDerWaalsContact CD2-CD1 3.45Å; F12-F71 HydrophobicContact CD2-CD2 4.4Å; F12-F71 HydrophobicContact CD2-CE1 4.04Å; F12-F71 AromaticContact CD2-CG 3.65Å; F12-F71 HydrophobicContact CD2-CG 3.65Å; F12-F71 HydrophobicContact CE2-CB 3.72Å; F12-F71 HydrophobicContact CE2-CD1 4.19Å; F12-F71 AromaticContact CE2-CG 4Å; F12-F71 HydrophobicContact CE2-CG 4Å; F12-F71 HydrophobicContact CG-CD1 4.26Å; L25-F71 HydrophobicContact CD1-CD2 4.06Å; L25-F71 HydrophobicContact CD1-CE2 4.44Å; L25-F71 HydrophobicContact CD1-CG 4.35Å; F30-F71 HydrophobicContact CD2-CD2 4.25Å; F30-F71 HydrophobicContact CE2-CD2 4.15Å; F30-F71 HydrophobicContact CE2-CE2 4.38Å; L33-F71 HydrophobicContact CD1-CE2 4.17Å; L33-F71 HydrophobicContact CD1-CZ 3.99Å; L33-F71 HydrophobicContact CD2-CE2 3.68Å; L33-F71 HydrophobicContact CD2-CZ 3.59Å; T67-F71 WeakPolarHBondContact O-CB 3.18Å; T67-F71 PolarHBondContact O-N 3.49Å; F71-L74 HydrophobicContact CD2-CD2 4.09Å; F71-L74 HydrophobicContact CE2-CD2 4.04Å; F71-L74 WeakPolarHBondContact O-CB 3.4Å; F71-L74 PolarHBondContact O-N 2.9Å; F71-I75 HydrophobicContact CD1-CG1 4.25Å; F71-I75 HydrophobicContact CE1-CD1 4.22Å; F71-I75 HydrophobicContact CE1-CG1 3.79Å; F71-I75 HydrophobicContact CE2-CD1 4.11Å; F71-I75 HydrophobicContact CE2-CG1 4.2Å; F71-I75 HydrophobicContact CZ-CD1 3.69Å; F71-I75 HydrophobicContact CZ-CG1 3.75Å; F71-I75 WeakPolarHBondContact O-CG1 3.31Å; F71-I75 PolarHBondContact O-N 3.48Å
72W81.3Confident76.7Confident92 Ų9266.3 Ų66.335%0.34836%0.358SS..Hα-helixtrans-64.6-41.4177.1-173.2-99.2000112.5I5 I8 F68 S69 E70 L74 I75 G76I5-W72 HydrophobicContact CB-CH2 4.15Å; I5-W72 HydrophobicContact CD1-CH2 4Å; I5-W72 HydrophobicContact CD1-CZ2 4.47Å; I5-W72 HydrophobicContact CG1-CH2 3.8Å; I5-W72 HydrophobicContact CG2-CH2 3.61Å; I5-W72 HydrophobicContact CG2-CZ3 3.82Å; I8-W72 HydrophobicContact CG2-CZ3 4.31Å; F68-W72 HydrophobicContact CE1-CE3 4.48Å; F68-W72 AromaticContact CZ-CE3 3.94Å; F68-W72 HydrophobicContact CZ-CE3 3.94Å; F68-W72 VanDerWaalsContact O-CB 3.23Å; F68-W72 WeakPolarHBondContact O-CB 3.26Å; F68-W72 PolarHBondContact O-N 3.47Å; S69-W72 WeakPolarHBondContact O-CB 3.31Å; S69-W72 PolarHBondContact O-N 3.3Å; E70-W72 VanDerWaalsContact C-N 3.33Å; E70-W72 PolarHBondContact O-N 2.9Å; W72-L74 VanDerWaalsContact C-N 3.28Å; W72-L74 PolarHBondContact O-N 2.84Å; W72-I75 PolarHBondContact O-N 3.5Å; W72-G76 PolarHBondContact O-N 2.6Å
73Q81.8Confident75.7Confident113 Ų11362.8 Ų62.853%0.52835%0.349SS..Hα-helixtrans-58.7-41.2173.1-74.4-67.4-54.600111.5S69 E70 G76 K77S69-Q73 WeakPolarHBondContact O-CG 3.31Å; S69-Q73 PolarHBondContact O-N 2.69Å; E70-Q73 WeakPolarHBondContact O-CB 3.29Å; E70-Q73 PolarHBondContact O-N 2.76Å; Q73-G76 PolarHBondContact O-N 3.04Å; Q73-K77 PolarHBondContact O-N 3.21Å
74L78.1Confident74.2Confident4 Ų460.6 Ų60.62%0.02135%0.352CS..Hα-helixtrans-59.8-53.7172.3166.3129.9000111.4F30 L54 I58 E70 F71 W72 G76 K77 L78F30-L74 HydrophobicContact CE2-CD1 3.89Å; F30-L74 HydrophobicContact CE2-CD2 4.01Å; F30-L74 HydrophobicContact CZ-CD1 3.52Å; F30-L74 HydrophobicContact CZ-CD2 4.4Å; L54-L74 HydrophobicContact CD2-CD1 3.24Å; L54-L74 HydrophobicContact CG-CD1 4.37Å; I58-L74 HydrophobicContact CD1-CB 3.95Å; I58-L74 HydrophobicContact CD1-CD1 3.2Å; I58-L74 HydrophobicContact CD1-CG 4.15Å; E70-L74 PolarHBondContact O-N 2.79Å; F71-L74 HydrophobicContact CD2-CD2 4.09Å; F71-L74 HydrophobicContact CE2-CD2 4.04Å; F71-L74 WeakPolarHBondContact O-CB 3.4Å; F71-L74 PolarHBondContact O-N 2.9Å; W72-L74 VanDerWaalsContact C-N 3.28Å; W72-L74 PolarHBondContact O-N 2.84Å; L74-G76 PolarHBondContact O-N 3.02Å; L74-K77 CarbonylContact O-C 3.57Å; L74-K77 PolarHBondContact O-N 2.64Å; L74-L78 HydrophobicContact CD1-CD1 4.37Å; L74-L78 HydrophobicContact CD2-CD1 3.49Å; L74-L78 VanDerWaalsContact CD2-CD1 3.49Å; L74-L78 HydrophobicContact CD2-CG 4.34Å; L74-L78 HydrophobicContact CG-CD1 3.72Å; L74-L78 HydrophobicContact CG-CG 4.06Å; L74-L78 WeakPolarHBondContact O-CB 3.42Å; L74-L78 WeakPolarHBondContact O-CG 3.41Å; L74-L78 PolarHBondContact O-N 2.92Å
75I78.1Confident72.7Confident27 Ų2767.3 Ų67.314%0.13837%0.371CS..Hα-helixtrans-56.8-38.5-180-64.2-67.1000110.9I8 L38 F71 W72 L78 A79I8-I75 HydrophobicContact CD1-CG2 4.08Å; I8-I75 HydrophobicContact CG2-CG1 4.28Å; L38-I75 HydrophobicContact CD1-CD1 3.87Å; F71-I75 HydrophobicContact CD1-CG1 4.25Å; F71-I75 HydrophobicContact CE1-CD1 4.22Å; F71-I75 HydrophobicContact CE1-CG1 3.79Å; F71-I75 HydrophobicContact CE2-CD1 4.11Å; F71-I75 HydrophobicContact CE2-CG1 4.2Å; F71-I75 HydrophobicContact CZ-CD1 3.69Å; F71-I75 HydrophobicContact CZ-CG1 3.75Å; F71-I75 WeakPolarHBondContact O-CG1 3.31Å; F71-I75 PolarHBondContact O-N 3.48Å; W72-I75 PolarHBondContact O-N 3.5Å; I75-L78 HydrophobicContact CD1-CD1 4.4Å; I75-L78 PolarHBondContact O-N 2.96Å; I75-A79 VanDerWaalsContact O-CB 3.3Å; I75-A79 WeakPolarHBondContact O-CB 3.45Å; I75-A79 PolarHBondContact O-N 3.36Å
76G78.6Confident70.8Confident33 Ų3373.5 Ų73.534%0.3442%0.42SS..Hα-helixtrans-60.5-51.7172.200000113W72 Q73 L74 L78 A79 S80W72-G76 PolarHBondContact O-N 2.6Å; Q73-G76 PolarHBondContact O-N 3.04Å; L74-G76 PolarHBondContact O-N 3.02Å; G76-L78 VanDerWaalsContact C-N 3.27Å; G76-L78 PolarHBondContact O-N 3.42Å; G76-A79 PolarHBondContact O-N 3.09Å; G76-S80 PolarHBondContact O-N 3.34Å; G76-S80 PolarHBondContact O-OG 3Å; G76-S80 VanDerWaalsContact O-OG 3.1Å
77K74.4Confident70.1Confident140 Ų14077.2 Ų77.261%0.60944%0.441SS*.Hα-helixtrans-59.3-38.3176-77.2-176.2176.5175.40112.1Q73 L74 K81Q73-K77 PolarHBondContact O-N 3.21Å; L74-K77 CarbonylContact O-C 3.57Å; L74-K77 PolarHBondContact O-N 2.64Å; K77-K81 WeakPolarHBondContact O-CB 3.1Å; K77-K81 PolarHBondContact O-N 3.35Å
78L71.9Confident69.4Low14 Ų1478.7 Ų78.77%0.07345%0.449CS..Hα-helixtrans-67.5-45.8177.6-69.9-179000112.4L38 F41 L74 I75 G76 S80 K81 Q82L38-L78 HydrophobicContact CD1-CD1 3.77Å; F41-L78 HydrophobicContact CD1-CD1 4.25Å; F41-L78 HydrophobicContact CD1-CD2 3.78Å; F41-L78 HydrophobicContact CD2-CD2 3.25Å; F41-L78 HydrophobicContact CE1-CD1 4.45Å; F41-L78 HydrophobicContact CE1-CD2 3.56Å; F41-L78 HydrophobicContact CE2-CD2 3Å; F41-L78 HydrophobicContact CE2-CG 4.47Å; F41-L78 HydrophobicContact CG-CD1 4.41Å; F41-L78 HydrophobicContact CG-CD2 3.65Å; F41-L78 HydrophobicContact CZ-CD2 3.17Å; L74-L78 HydrophobicContact CD1-CD1 4.37Å; L74-L78 HydrophobicContact CD2-CD1 3.49Å; L74-L78 VanDerWaalsContact CD2-CD1 3.49Å; L74-L78 HydrophobicContact CD2-CG 4.34Å; L74-L78 HydrophobicContact CG-CD1 3.72Å; L74-L78 HydrophobicContact CG-CG 4.06Å; L74-L78 WeakPolarHBondContact O-CB 3.42Å; L74-L78 WeakPolarHBondContact O-CG 3.41Å; L74-L78 PolarHBondContact O-N 2.92Å; I75-L78 HydrophobicContact CD1-CD1 4.4Å; I75-L78 PolarHBondContact O-N 2.96Å; G76-L78 VanDerWaalsContact C-N 3.27Å; G76-L78 PolarHBondContact O-N 3.42Å; L78-S80 VanDerWaalsContact C-N 3.3Å; L78-S80 PolarHBondContact O-N 2.99Å; L78-K81 PolarHBondContact O-N 3.16Å; L78-Q82 PolarHBondContact O-N 2.97Å
79A70.4Confident68.8Low61 Ų6178.8 Ų78.850%0.50446%0.456SS..Hα-helixtrans-61.3-41.6176.500000110.9I75 G76 K81 G83I75-A79 VanDerWaalsContact O-CB 3.3Å; I75-A79 WeakPolarHBondContact O-CB 3.45Å; I75-A79 PolarHBondContact O-N 3.36Å; G76-A79 PolarHBondContact O-N 3.09Å; A79-K81 PolarHBondContact O-N 3.48Å; A79-G83 WeakPolarHBondContact O-CA 3.42Å; A79-G83 PolarHBondContact O-N 3.11Å
80S67.2Low67.9Low74 Ų7478.8 Ų78.852%0.51745%0.45SS..Hα-helixtrans-63.5-39.1174.5-60.40000112.6G76 L78G76-S80 PolarHBondContact O-N 3.34Å; G76-S80 PolarHBondContact O-OG 3Å; G76-S80 VanDerWaalsContact O-OG 3.1Å; L78-S80 VanDerWaalsContact C-N 3.3Å; L78-S80 PolarHBondContact O-N 2.99Å
81K63.6Low66.9Low169 Ų16982.8 Ų82.874%0.73547%0.473SS*.Hα-helixtrans-74.7-35.4179.9-170.1165-177.31680113.6K77 L78 A79K77-K81 WeakPolarHBondContact O-CB 3.1Å; K77-K81 PolarHBondContact O-N 3.35Å; L78-K81 PolarHBondContact O-N 3.16Å; A79-K81 PolarHBondContact O-N 3.48Å
82Q57.2Low65.9Low125 Ų12588.1 Ų88.158%0.58450%0.504SS*.Hα-helixtrans-81.2-27.3175-90.1-1658600113.5L78 G84L78-Q82 PolarHBondContact O-N 2.97Å; Q82-G84 VanDerWaalsContact C-N 3.27Å; Q82-G84 PolarHBondContact O-N 2.85Å
83G53.3Low64.8Low44 Ų4487.9 Ų87.945%0.45452%0.516SS..THydrogen-bonded Turntrans-75.3-8.6-177.100000115.1A79 F85A79-G83 WeakPolarHBondContact O-CA 3.42Å; A79-G83 PolarHBondContact O-N 3.11Å; G83-F85 VanDerWaalsContact C-N 3.27Å; G83-F85 PolarHBondContact O-N 2.86Å
84G46.5Very low63.5Low60 Ų6085.9 Ų85.962%0.61952%0.515SS*.THydrogen-bonded Turntrans62.631.8179.100000113.6Q82 S86Q82-G84 VanDerWaalsContact C-N 3.27Å; Q82-G84 PolarHBondContact O-N 2.85Å; G84-S86 PolarHBondContact O-N 2.91Å
85F44Very low62.3Low178 Ų17892.8 Ų92.878%0.78156%0.556SS**  trans-78.878.2168.3-62-79.4000108.5G83G83-F85 VanDerWaalsContact C-N 3.27Å; G83-F85 PolarHBondContact O-N 2.86Å
86S42.7Very low60.9Low188 Ų18898.7 Ų98.7100%1.31559%0.594SS**  trans-93.30155-61.90000109.3G84G84-S86 PolarHBondContact O-N 2.91Å

Retrieved 86 of 86 residues in 174.2 ms (Link to these results)

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