A0A024QZ42_HUMAN Loading...

HCG1985580, isoform CRA_c

AlphaFold DB , UniProt , Accession A0A024QZ42, Species HUMAN (Homo sapiens, Human), Gene PDCD6, Length 121 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
1M56.1Low63.9Low179 Ų179115.5 Ų115.588%0.88261%0.613SS**  0-42.50-167.7171.717800111.7
2F56.2Low65.4Low68 Ų68119.8 Ų119.830%0.29862%0.623SS.*  trans-115.9-16.5179.8-60.8-77.8000115.4R4 E14 V18 Y21F2-R4 PolarHBondContact O-N 3.35Å; F2-E14 VanDerWaalsContact O-CG 3.29Å; F2-E14 WeakPolarHBondContact O-CG 3.49Å; F2-V18 HydrophobicContact CB-CG2 3.54Å; F2-V18 HydrophobicContact CD1-CG2 4.29Å; F2-V18 HydrophobicContact CD2-CG2 3.79Å; F2-V18 HydrophobicContact CG-CG2 3.61Å; F2-Y21 HydrophobicContact CE2-CD1 4.32Å; F2-Y21 HydrophobicContact CE2-CG 4.33Å; F2-Y21 HydrophobicContact CZ-CD1 4.31Å; F2-Y21 HydrophobicContact CZ-CD2 4.02Å; F2-Y21 AromaticContact CZ-CG 3.87Å; F2-Y21 HydrophobicContact CZ-CG 3.87Å
3D59.7Low66.6Low68 Ų68117.8 Ų117.836%0.36463%0.625SS.*  trans-80.5109166.3179.72.7000108.5E5 N6 K7D3-E5 PolarHBondContact OD1-N 2.94Å; D3-N6 WeakPolarHBondContact OD1-CA 3.15Å; D3-N6 PolarHBondContact OD1-N 3.43Å; D3-N6 WeakPolarHBondContact OD2-CA 3.43Å; D3-K7 PolarHBondContact OD1-N 2.75Å; D3-K7 PolarHBondContact OD2-N 2.92Å
4R60.7Low67.6Low233 Ų233110.6 Ų110.688%0.87959%0.587SS**SBendtrans-93.2-17.2178.9-75.6-175.9168.9174.3-2.5112.3F2 E14F2-R4 PolarHBondContact O-N 3.35Å; R4-E14 PolarHBondContact N-OE1 3.13Å
5E63Low68.8Low113 Ų113110.4 Ų110.453%0.52858%0.579SS.*SBendtrans-108.2-0.4-173.2-62.7-162.8161.700113.7D3 K7D3-E5 PolarHBondContact OD1-N 2.94Å; E5-K7 HydrophobicContact CB-CD 4.18Å; E5-K7 HydrophobicContact CB-CG 4.14Å; E5-K7 PolarHBondContact O-N 3.1Å; E5-K7 VanDerWaalsContact O-N 3.15Å; E5-K7 WeakPolarHBondContact OE2-CE 3.39Å; E5-K7 IonicContact OE2-NZ 2.99Å; E5-K7 PolarHBondContact OE2-NZ 3.44Å
6N62.1Low69.9Low154 Ų154107.6 Ų107.682%0.82457%0.568SS**  trans51.933.7-176.4-155.822.9000111.5D3D3-N6 WeakPolarHBondContact OD1-CA 3.15Å; D3-N6 PolarHBondContact OD1-N 3.43Å; D3-N6 WeakPolarHBondContact OD2-CA 3.43Å
7K65.2Low70.8Confident128 Ų128103.1 Ų103.156%0.55755%0.553SS**  trans-98.4134.9176.2-73.5179.1-175.1158.20106.7D3 E5 G9D3-K7 PolarHBondContact OD1-N 2.75Å; D3-K7 PolarHBondContact OD2-N 2.92Å; E5-K7 HydrophobicContact CB-CD 4.18Å; E5-K7 HydrophobicContact CB-CG 4.14Å; E5-K7 PolarHBondContact O-N 3.1Å; E5-K7 VanDerWaalsContact O-N 3.15Å; E5-K7 WeakPolarHBondContact OE2-CE 3.39Å; E5-K7 IonicContact OE2-NZ 2.99Å; E5-K7 PolarHBondContact OE2-NZ 3.44Å; K7-G9 PolarHBondContact O-N 2.98Å
8A63.4Low71.6Confident124 Ų12499.6 Ų99.6100%1.02554%0.536SS*.SBendtrans-60.65.5-178.500000115.4
9G66.1Low72.4Confident48 Ų48102.3 Ų102.350%0.49554%0.538SS..SBendtrans-129.9134.2176.600000110.9K7K7-G9 PolarHBondContact O-N 2.98Å
10V70.3Confident73.2Confident89 Ų89104 Ų10454%0.53954%0.54SS..  trans-77.7119.9175-177.40000108.2E14 F15V10-E14 HydrophobicContact CG1-CB 3.48Å; V10-E14 VanDerWaalsContact CG1-CB 3.48Å; V10-F15 HydrophobicContact CG1-CB 3.9Å
11N79.8Confident73.8Confident67 Ų67101.8 Ų101.836%0.35853%0.526SS..  trans-73.2166.5174.972.749.1000111S13 E14 F15N11-S13 PolarHBondContact O-N 3.2Å; N11-S13 WeakPolarHBondContact OD1-CA 3.39Å; N11-S13 WeakPolarHBondContact OD1-CB 3.44Å; N11-S13 PolarHBondContact OD1-N 2.89Å; N11-E14 PolarHBondContact N-OE2 3.24Å; N11-E14 VanDerWaalsContact ND2-CD 3.28Å; N11-E14 PolarHBondContact ND2-OE2 3.42Å; N11-E14 PolarHBondContact O-N 2.86Å; N11-E14 VanDerWaalsContact O-N 3.09Å; N11-E14 WeakPolarHBondContact OD1-CG 3.33Å; N11-E14 PolarHBondContact OD1-N 3.12Å; N11-F15 PolarHBondContact O-N 2.99Å
12F82.5Confident75.4Confident167 Ų16796.2 Ų96.273%0.73250%0.499SS*.Hα-helixtrans-57.7-35.4-175.8-177.2-99.9000113.6T16F12-T16 WeakPolarHBondContact O-CB 3.24Å; F12-T16 PolarHBondContact O-N 2.94Å; F12-T16 PolarHBondContact O-OG1 3.42Å
13S81Confident77.1Confident93 Ų9394.8 Ų94.865%0.6550%0.496SS*.Hα-helixtrans-69.1-41.9177.4-174.60000111.6N11 T16 G17N11-S13 PolarHBondContact O-N 3.2Å; N11-S13 WeakPolarHBondContact OD1-CA 3.39Å; N11-S13 WeakPolarHBondContact OD1-CB 3.44Å; N11-S13 PolarHBondContact OD1-N 2.89Å; S13-T16 PolarHBondContact O-N 3.48Å; S13-G17 PolarHBondContact O-N 3.26Å; S13-G17 VanDerWaalsContact O-N 3.13Å
14E80.8Confident78.6Confident18 Ų1895.5 Ų95.58%0.08450%0.499CS..Hα-helixtrans-66.6-40.4176-65.6172148.600110.7F2 R4 V10 N11 T16 G17 V18F2-E14 VanDerWaalsContact O-CG 3.29Å; F2-E14 WeakPolarHBondContact O-CG 3.49Å; R4-E14 PolarHBondContact N-OE1 3.13Å; V10-E14 HydrophobicContact CG1-CB 3.48Å; V10-E14 VanDerWaalsContact CG1-CB 3.48Å; N11-E14 PolarHBondContact N-OE2 3.24Å; N11-E14 VanDerWaalsContact ND2-CD 3.28Å; N11-E14 PolarHBondContact ND2-OE2 3.42Å; N11-E14 PolarHBondContact O-N 2.86Å; N11-E14 VanDerWaalsContact O-N 3.09Å; N11-E14 WeakPolarHBondContact OD1-CG 3.33Å; N11-E14 PolarHBondContact OD1-N 3.12Å; E14-T16 PolarHBondContact O-N 3.46Å; E14-G17 PolarHBondContact O-N 3.27Å; E14-G17 VanDerWaalsContact O-N 3.17Å; E14-V18 WeakPolarHBondContact O-CG2 3.49Å; E14-V18 PolarHBondContact O-N 2.72Å
15F84.4Confident80.1Confident107 Ų10786.2 Ų86.247%0.46946%0.464SS..Hα-helixtrans-62.3-43.6175.7176.7-96.5000111.1V10 N11 G17 V18 W19V10-F15 HydrophobicContact CG1-CB 3.9Å; N11-F15 PolarHBondContact O-N 2.99Å; F15-G17 VanDerWaalsContact C-N 3.25Å; F15-G17 PolarHBondContact O-N 3Å; F15-V18 PolarHBondContact O-N 3.2Å; F15-W19 HydrophobicContact CE1-CB 4.31Å; F15-W19 HydrophobicContact CZ-CE3 4.09Å; F15-W19 VanDerWaalsContact O-CB 3.26Å; F15-W19 WeakPolarHBondContact O-CB 3.39Å; F15-W19 PolarHBondContact O-N 2.68Å
16T86.5Confident81.4Confident66 Ų6684.1 Ų84.141%0.40545%0.454SS..Hα-helixtrans-59.4-40.2176-580000111F12 S13 E14 K20F12-T16 WeakPolarHBondContact O-CB 3.24Å; F12-T16 PolarHBondContact O-N 2.94Å; F12-T16 PolarHBondContact O-OG1 3.42Å; S13-T16 PolarHBondContact O-N 3.48Å; E14-T16 PolarHBondContact O-N 3.46Å; T16-K20 WeakPolarHBondContact O-CB 3.36Å; T16-K20 PolarHBondContact O-N 3.13Å
17G85.9Confident82.9Confident30 Ų3080.7 Ų80.731%0.30944%0.436SS..Hα-helixtrans-63.4-47.9175.200000112.9S13 E14 F15 K20 Y21S13-G17 PolarHBondContact O-N 3.26Å; S13-G17 VanDerWaalsContact O-N 3.13Å; E14-G17 PolarHBondContact O-N 3.27Å; E14-G17 VanDerWaalsContact O-N 3.17Å; F15-G17 VanDerWaalsContact C-N 3.25Å; F15-G17 PolarHBondContact O-N 3Å; G17-K20 PolarHBondContact O-N 2.98Å; G17-Y21 WeakPolarHBondContact O-CB 3.33Å; G17-Y21 PolarHBondContact O-N 2.9Å
18V84.4Confident84.2Confident41 Ų4176.7 Ų76.725%0.24842%0.423CS..Hα-helixtrans-63-45.2177.3173.70000111.1F2 E14 F15 K20 Y21 I22F2-V18 HydrophobicContact CB-CG2 3.54Å; F2-V18 HydrophobicContact CD1-CG2 4.29Å; F2-V18 HydrophobicContact CD2-CG2 3.79Å; F2-V18 HydrophobicContact CG-CG2 3.61Å; E14-V18 WeakPolarHBondContact O-CG2 3.49Å; E14-V18 PolarHBondContact O-N 2.72Å; F15-V18 PolarHBondContact O-N 3.2Å; V18-K20 VanDerWaalsContact C-N 3.35Å; V18-K20 PolarHBondContact O-N 3.24Å; V18-Y21 WeakPolarHBondContact O-CB 3.38Å; V18-Y21 PolarHBondContact O-N 3.32Å; V18-I22 HydrophobicContact CG1-CD1 3.71Å; V18-I22 HydrophobicContact CG1-CG1 4.34Å; V18-I22 WeakPolarHBondContact O-CG1 3.39Å; V18-I22 PolarHBondContact O-N 3.38Å
19W86.6Confident85.5Confident151 Ų15171.4 Ų71.457%0.57238%0.377SS*.Hα-helixtrans-60.5-45.3179.1-177.1-98000111.6F15 I22 T23F15-W19 HydrophobicContact CE1-CB 4.31Å; F15-W19 HydrophobicContact CZ-CE3 4.09Å; F15-W19 VanDerWaalsContact O-CB 3.26Å; F15-W19 WeakPolarHBondContact O-CB 3.39Å; F15-W19 PolarHBondContact O-N 2.68Å; W19-I22 PolarHBondContact O-N 2.8Å; W19-T23 WeakPolarHBondContact O-CB 3.18Å; W19-T23 PolarHBondContact O-N 3.45Å; W19-T23 PolarHBondContact O-OG1 2.64Å
20K89.1Confident86.8Confident135 Ų13577.1 Ų77.159%0.58738%0.383SS*.Hα-helixtrans-60-48.3174.9-177.3175.3-179.6174.90111.1T16 G17 V18 I22 T23 D24T16-K20 WeakPolarHBondContact O-CB 3.36Å; T16-K20 PolarHBondContact O-N 3.13Å; G17-K20 PolarHBondContact O-N 2.98Å; V18-K20 VanDerWaalsContact C-N 3.35Å; V18-K20 PolarHBondContact O-N 3.24Å; K20-I22 PolarHBondContact O-N 2.94Å; K20-T23 WeakPolarHBondContact O-CB 3.36Å; K20-T23 PolarHBondContact O-N 3.15Å; K20-D24 VanDerWaalsContact O-CG 3.25Å; K20-D24 PolarHBondContact O-N 3.05Å
21Y86.8Confident87.8Confident59 Ų5977.3 Ų77.323%0.23139%0.385CS..Hα-helixtrans-57.2-47178.3178.3-97.9000112.5F2 G17 V18 T23 D24 W25 I86F2-Y21 HydrophobicContact CE2-CD1 4.32Å; F2-Y21 HydrophobicContact CE2-CG 4.33Å; F2-Y21 HydrophobicContact CZ-CD1 4.31Å; F2-Y21 HydrophobicContact CZ-CD2 4.02Å; F2-Y21 AromaticContact CZ-CG 3.87Å; F2-Y21 HydrophobicContact CZ-CG 3.87Å; G17-Y21 WeakPolarHBondContact O-CB 3.33Å; G17-Y21 PolarHBondContact O-N 2.9Å; V18-Y21 WeakPolarHBondContact O-CB 3.38Å; V18-Y21 PolarHBondContact O-N 3.32Å; Y21-T23 VanDerWaalsContact C-N 3.35Å; Y21-D24 PolarHBondContact O-N 3.42Å; Y21-W25 AromaticContact CD1-CD1 3.87Å; Y21-W25 AromaticContact CD2-CD1 3.98Å; Y21-W25 AromaticContact CD2-NE1 3.94Å; Y21-W25 AromaticContact CE1-CD1 3.48Å; Y21-W25 VanDerWaalsContact CE1-CD1 3.48Å; Y21-W25 AromaticContact CE1-NE1 3.64Å; Y21-W25 AromaticContact CE2-CD1 3.63Å; Y21-W25 AromaticContact CE2-NE1 3.18Å; Y21-W25 AromaticContact CZ-CD1 3.37Å; Y21-W25 AromaticContact CZ-NE1 3Å; Y21-W25 VanDerWaalsContact O-CD1 3.28Å; Y21-W25 PolarHBondContact O-N 3.18Å; Y21-W25 VanDerWaalsContact O-N 3.07Å; Y21-W25 PolarHBondContact OH-NE1 3.3Å; Y21-I86 VanDerWaalsContact OH-CD1 3.27Å; Y21-I86 WeakPolarHBondContact OH-CD1 3.34Å
22I88.6Confident88.5Confident61 Ų6176 Ų7631%0.31338%0.375SS..Hα-helixtrans-63.6-43177.4-67.6170.2000110.6V18 W19 K20 D24 W25 Q26V18-I22 HydrophobicContact CG1-CD1 3.71Å; V18-I22 HydrophobicContact CG1-CG1 4.34Å; V18-I22 WeakPolarHBondContact O-CG1 3.39Å; V18-I22 PolarHBondContact O-N 3.38Å; W19-I22 PolarHBondContact O-N 2.8Å; K20-I22 PolarHBondContact O-N 2.94Å; I22-D24 PolarHBondContact O-N 2.91Å; I22-W25 PolarHBondContact O-N 3.19Å; I22-Q26 HydrophobicContact CG2-CG 4.29Å; I22-Q26 WeakPolarHBondContact O-CB 3.39Å; I22-Q26 WeakPolarHBondContact O-CG 3.3Å; I22-Q26 PolarHBondContact O-N 2.85Å
23T91.6Very high89Confident39 Ų3968.5 Ų68.524%0.23934%0.342CS..Hα-helixtrans-61.5-44.4179.2-57.60000111.2W19 K20 Y21 W25 Q26 N27W19-T23 WeakPolarHBondContact O-CB 3.18Å; W19-T23 PolarHBondContact O-N 3.45Å; W19-T23 PolarHBondContact O-OG1 2.64Å; K20-T23 WeakPolarHBondContact O-CB 3.36Å; K20-T23 PolarHBondContact O-N 3.15Å; Y21-T23 VanDerWaalsContact C-N 3.35Å; T23-W25 PolarHBondContact O-N 3.33Å; T23-Q26 PolarHBondContact O-N 2.92Å; T23-N27 VanDerWaalsContact O-CG 3.25Å; T23-N27 PolarHBondContact O-N 2.88Å; T23-N27 PolarHBondContact O-ND2 2.9Å
24D91.5Very high89.4Confident82 Ų8272.1 Ų72.144%0.43934%0.342SS..Hα-helixtrans-62-44.9177.9-68.1-19.8000110.6K20 Y21 I22 N27 V28K20-D24 VanDerWaalsContact O-CG 3.25Å; K20-D24 PolarHBondContact O-N 3.05Å; Y21-D24 PolarHBondContact O-N 3.42Å; I22-D24 PolarHBondContact O-N 2.91Å; D24-N27 PolarHBondContact O-N 3.14Å; D24-V28 WeakPolarHBondContact O-CG2 3.32Å; D24-V28 PolarHBondContact O-N 2.8Å
25W91.6Very high89.8Confident38 Ų3875.7 Ų75.714%0.14436%0.362CS..Hα-helixtrans-64.7-38.5174.7-84.7107.6000113.5Y21 I22 T23 N27 V28 F29 F78 F81 I82 C85Y21-W25 AromaticContact CD1-CD1 3.87Å; Y21-W25 AromaticContact CD2-CD1 3.98Å; Y21-W25 AromaticContact CD2-NE1 3.94Å; Y21-W25 AromaticContact CE1-CD1 3.48Å; Y21-W25 VanDerWaalsContact CE1-CD1 3.48Å; Y21-W25 AromaticContact CE1-NE1 3.64Å; Y21-W25 AromaticContact CE2-CD1 3.63Å; Y21-W25 AromaticContact CE2-NE1 3.18Å; Y21-W25 AromaticContact CZ-CD1 3.37Å; Y21-W25 AromaticContact CZ-NE1 3Å; Y21-W25 VanDerWaalsContact O-CD1 3.28Å; Y21-W25 PolarHBondContact O-N 3.18Å; Y21-W25 VanDerWaalsContact O-N 3.07Å; Y21-W25 PolarHBondContact OH-NE1 3.3Å; I22-W25 PolarHBondContact O-N 3.19Å; T23-W25 PolarHBondContact O-N 3.33Å; W25-N27 VanDerWaalsContact C-N 3.31Å; W25-N27 PolarHBondContact O-N 3.49Å; W25-V28 HydrophobicContact CE3-CG1 4.48Å; W25-V28 HydrophobicContact CZ3-CG1 4.45Å; W25-V28 PolarHBondContact O-N 2.82Å; W25-F29 WeakPolarHBondContact O-CB 3.4Å; W25-F29 PolarHBondContact O-N 2.98Å; W25-F78 HydrophobicContact CB-CE2 4.15Å; W25-F78 HydrophobicContact CB-CZ 4.03Å; W25-F81 HydrophobicContact CE3-CD1 4.44Å; W25-F81 HydrophobicContact CE3-CE1 4.08Å; W25-F81 HydrophobicContact CZ3-CD1 4.42Å; W25-F81 AromaticContact CZ3-CE1 3.84Å; W25-F81 HydrophobicContact CZ3-CE1 3.84Å; W25-I82 HydrophobicContact CB-CD1 3.94Å; W25-I82 HydrophobicContact CB-CG1 3.98Å; W25-I82 HydrophobicContact CD2-CG1 3.91Å; W25-I82 HydrophobicContact CD2-CG2 4.38Å; W25-I82 HydrophobicContact CE3-CG1 4.04Å; W25-I82 HydrophobicContact CG-CD1 4.2Å; W25-I82 HydrophobicContact CG-CG1 3.88Å; W25-I82 HydrophobicContact CG-CG2 4.48Å; W25-C85 HydrophobicContact CH2-CB 3.36Å; W25-C85 HydrophobicContact CZ2-CB 4.25Å; W25-C85 HydrophobicContact CZ3-CB 3.82Å
26Q92Very high90.1Very high69 Ų6976.9 Ų76.932%0.32237%0.373SS..Hα-helixtrans-61.8-40.9175.1-78.3-178.1-22.800111.5I22 T23 F29 R30 F78I22-Q26 HydrophobicContact CG2-CG 4.29Å; I22-Q26 WeakPolarHBondContact O-CB 3.39Å; I22-Q26 WeakPolarHBondContact O-CG 3.3Å; I22-Q26 PolarHBondContact O-N 2.85Å; T23-Q26 PolarHBondContact O-N 2.92Å; Q26-F29 PolarHBondContact O-N 3.07Å; Q26-R30 WeakPolarHBondContact O-CB 3.4Å; Q26-R30 VanDerWaalsContact O-CG 3.3Å; Q26-R30 WeakPolarHBondContact O-CG 3.37Å; Q26-R30 PolarHBondContact O-N 3.43Å; Q26-F78 HydrophobicContact CB-CZ 4.25Å; Q26-F78 HydrophobicContact CG-CE1 3.9Å; Q26-F78 HydrophobicContact CG-CE2 3.98Å; Q26-F78 HydrophobicContact CG-CZ 3.38Å
27N92.6Very high90.3Very high82 Ų8276.1 Ų76.144%0.43937%0.37SS..Hα-helixtrans-64.2-42.7176.9-68.4-29.8000111.4T23 D24 W25 T31T23-N27 VanDerWaalsContact O-CG 3.25Å; T23-N27 PolarHBondContact O-N 2.88Å; T23-N27 PolarHBondContact O-ND2 2.9Å; D24-N27 PolarHBondContact O-N 3.14Å; W25-N27 VanDerWaalsContact C-N 3.31Å; W25-N27 PolarHBondContact O-N 3.49Å; N27-T31 PolarHBondContact O-N 3.41Å; N27-T31 PolarHBondContact O-OG1 2.95Å
28V91.9Very high90.5Very high45 Ų4576.7 Ų76.727%0.27338%0.376SS..Hα-helixtrans-62.7-48.3175.1172.30000110.8D24 W25 R30 T31 Y32 F52D24-V28 WeakPolarHBondContact O-CG2 3.32Å; D24-V28 PolarHBondContact O-N 2.8Å; W25-V28 HydrophobicContact CE3-CG1 4.48Å; W25-V28 HydrophobicContact CZ3-CG1 4.45Å; W25-V28 PolarHBondContact O-N 2.82Å; V28-R30 PolarHBondContact O-N 3.24Å; V28-T31 VanDerWaalsContact O-CB 3.3Å; V28-T31 WeakPolarHBondContact O-CB 3.35Å; V28-T31 PolarHBondContact O-N 3.13Å; V28-T31 VanDerWaalsContact O-N 3.07Å; V28-Y32 HydrophobicContact CG1-CD2 4.16Å; V28-Y32 HydrophobicContact CG1-CE2 3.97Å; V28-Y32 VanDerWaalsContact O-CD2 3.22Å; V28-Y32 WeakPolarHBondContact O-CD2 3.3Å; V28-Y32 PolarHBondContact O-N 3.43Å; V28-F52 HydrophobicContact CG1-CE1 3.81Å; V28-F52 HydrophobicContact CG1-CZ 3.54Å
29F91.8Very high90.9Very high13 Ų1377.1 Ų77.16%0.05738%0.376CS..Hα-helixtrans-57.6-49.2179.9-176.3-88.3000111.7W25 Q26 T31 Y32 D33 I40 F78 F81W25-F29 WeakPolarHBondContact O-CB 3.4Å; W25-F29 PolarHBondContact O-N 2.98Å; Q26-F29 PolarHBondContact O-N 3.07Å; F29-T31 PolarHBondContact O-N 2.88Å; F29-Y32 PolarHBondContact O-N 2.99Å; F29-D33 HydrophobicContact CD1-CB 4.13Å; F29-D33 HydrophobicContact CE1-CB 3.9Å; F29-D33 PolarHBondContact O-N 3.41Å; F29-I40 HydrophobicContact CD2-CD1 4.24Å; F29-I40 HydrophobicContact CD2-CG1 3.75Å; F29-I40 HydrophobicContact CE2-CB 4.41Å; F29-I40 HydrophobicContact CE2-CD1 4.08Å; F29-I40 HydrophobicContact CE2-CG1 3.28Å; F29-I40 HydrophobicContact CZ-CD1 4.32Å; F29-I40 HydrophobicContact CZ-CG1 3.75Å; F29-F78 HydrophobicContact CB-CD2 3.72Å; F29-F78 HydrophobicContact CB-CE2 3.77Å; F29-F78 HydrophobicContact CD1-CD2 4.17Å; F29-F78 HydrophobicContact CD2-CB 4.33Å; F29-F78 AromaticContact CD2-CD2 3.54Å; F29-F78 HydrophobicContact CD2-CD2 3.54Å; F29-F78 HydrophobicContact CD2-CE2 4.37Å; F29-F78 HydrophobicContact CD2-CG 4.43Å; F29-F78 HydrophobicContact CE2-CB 4Å; F29-F78 HydrophobicContact CE2-CD2 4.08Å; F29-F78 AromaticContact CG-CD2 3.54Å; F29-F78 HydrophobicContact CG-CD2 3.54Å; F29-F78 HydrophobicContact CG-CE2 4.13Å; F29-F78 HydrophobicContact CZ-CB 4.17Å; F29-F81 HydrophobicContact CD2-CB 4.22Å; F29-F81 AromaticContact CD2-CD1 3.8Å; F29-F81 HydrophobicContact CD2-CD1 3.8Å; F29-F81 HydrophobicContact CD2-CE1 4.41Å; F29-F81 HydrophobicContact CD2-CG 4.08Å; F29-F81 HydrophobicContact CE2-CB 4.18Å; F29-F81 HydrophobicContact CE2-CG 4.42Å
30R92.4Very high91.3Very high168 Ų16869.9 Ų69.963%0.63435%0.349SS*.Hα-helixtrans-63.1-22.1177.2-72.4177.2-177.9179.22.1114.1Q26 V28 Y32Q26-R30 WeakPolarHBondContact O-CB 3.4Å; Q26-R30 VanDerWaalsContact O-CG 3.3Å; Q26-R30 WeakPolarHBondContact O-CG 3.37Å; Q26-R30 PolarHBondContact O-N 3.43Å; V28-R30 PolarHBondContact O-N 3.24Å; R30-Y32 VanDerWaalsContact C-N 3.26Å
31T93.1Very high91.5Very high93 Ų9365.5 Ų65.557%0.57133%0.331SS*.Hα-helixtrans-71.4-27.5175.2-57.70000111.3N27 V28 F29N27-T31 PolarHBondContact O-N 3.41Å; N27-T31 PolarHBondContact O-OG1 2.95Å; V28-T31 VanDerWaalsContact O-CB 3.3Å; V28-T31 WeakPolarHBondContact O-CB 3.35Å; V28-T31 PolarHBondContact O-N 3.13Å; V28-T31 VanDerWaalsContact O-N 3.07Å; F29-T31 PolarHBondContact O-N 2.88Å
32Y92.8Very high91.8Very high38 Ų3865.3 Ų65.315%0.14933%0.332CS..Hα-helixtrans-105.9-27.4-176.1-64.5-66.2000114.1V28 F29 R30 R34 E44 Q47 A48 F52V28-Y32 HydrophobicContact CG1-CD2 4.16Å; V28-Y32 HydrophobicContact CG1-CE2 3.97Å; V28-Y32 VanDerWaalsContact O-CD2 3.22Å; V28-Y32 WeakPolarHBondContact O-CD2 3.3Å; V28-Y32 PolarHBondContact O-N 3.43Å; F29-Y32 PolarHBondContact O-N 2.99Å; R30-Y32 VanDerWaalsContact C-N 3.26Å; Y32-R34 VanDerWaalsContact C-N 3.27Å; Y32-R34 PolarHBondContact O-N 2.86Å; Y32-E44 WeakPolarHBondContact O-CB 3.23Å; Y32-E44 WeakPolarHBondContact O-CG 3.22Å; Y32-Q47 HydrophobicContact CD1-CB 4.27Å; Y32-A48 HydrophobicContact CD1-CB 3.92Å; Y32-A48 HydrophobicContact CD2-CB 3.64Å; Y32-A48 VanDerWaalsContact CE1-CA 3.47Å; Y32-A48 HydrophobicContact CE1-CB 4.21Å; Y32-A48 HydrophobicContact CE2-CB 3.93Å; Y32-A48 HydrophobicContact CG-CB 3.63Å; Y32-F52 AromaticContact CE2-CE1 3.85Å; Y32-F52 HydrophobicContact CE2-CE1 3.85Å; Y32-F52 AromaticContact CE2-CZ 3.95Å; Y32-F52 HydrophobicContact CE2-CZ 3.95Å
33D92.9Very high92.1Very high10 Ų1067.2 Ų67.25%0.05334%0.343CS..  trans-70.48116717712.2000109.2F29 D35 N36 S37 G38 I40F29-D33 HydrophobicContact CD1-CB 4.13Å; F29-D33 HydrophobicContact CE1-CB 3.9Å; F29-D33 PolarHBondContact O-N 3.41Å; D33-D35 VanDerWaalsContact OD1-OD1 3.05Å; D33-N36 WeakPolarHBondContact OD1-CA 3.35Å; D33-N36 PolarHBondContact OD1-N 3.45Å; D33-S37 PolarHBondContact OD1-N 3.42Å; D33-S37 PolarHBondContact OD1-OG 2.95Å; D33-G38 VanDerWaalsContact OD2-CA 3.24Å; D33-G38 WeakPolarHBondContact OD2-CA 3.4Å; D33-G38 PolarHBondContact OD2-N 2.82Å; D33-I40 HydrophobicContact CB-CD1 3.96Å
34R89.8Confident92.3Very high170 Ų17065.8 Ų65.864%0.64233%0.333SS*.  trans-79.8-30.8-171.5-74-173174.6-178.53.3111.9Y32 E44 Q47Y32-R34 VanDerWaalsContact C-N 3.27Å; Y32-R34 PolarHBondContact O-N 2.86Å; R34-E44 PolarHBondContact N-OE1 3.44Å; R34-Q47 VanDerWaalsContact NE-OE1 3.16Å
35D90.1Very high92.4Very high93 Ų9362.3 Ų62.350%0.49732%0.315SS..SBendtrans-82.3-5.4176.674-4.9000112.8D33 S37D33-D35 VanDerWaalsContact OD1-OD1 3.05Å; D35-S37 PolarHBondContact O-N 3.15Å; D35-S37 WeakPolarHBondContact OD1-CB 3.44Å; D35-S37 PolarHBondContact OD1-N 3.33Å; D35-S37 PolarHBondContact OD1-OG 3.22Å
36N89.4Confident92.5Very high131 Ų13164.2 Ų64.270%0.70132%0.324SS*.  trans56.333.5-175.8-59.9-87.5000112D33 G38D33-N36 WeakPolarHBondContact OD1-CA 3.35Å; D33-N36 PolarHBondContact OD1-N 3.45Å; N36-G38 PolarHBondContact O-N 2.99Å
37S90.6Very high92.6Very high51 Ų5164.1 Ų64.136%0.35732%0.323SS..  trans-70.9-16.6176.462.60000112.5D33 D35 M39D33-S37 PolarHBondContact OD1-N 3.42Å; D33-S37 PolarHBondContact OD1-OG 2.95Å; D35-S37 PolarHBondContact O-N 3.15Å; D35-S37 WeakPolarHBondContact OD1-CB 3.44Å; D35-S37 PolarHBondContact OD1-N 3.33Å; D35-S37 PolarHBondContact OD1-OG 3.22Å; S37-M39 PolarHBondContact OG-N 3.21Å; S37-M39 PolarHBondContact OG-O 3.42Å; S37-M39 VanDerWaalsContact OG-O 3.09Å
38G90.8Very high92.7Very high42 Ų4260.2 Ų60.243%0.43330%0.302SS..SBendtrans75.811.5-170.800000112.8D33 N36D33-G38 VanDerWaalsContact OD2-CA 3.24Å; D33-G38 WeakPolarHBondContact OD2-CA 3.4Å; D33-G38 PolarHBondContact OD2-N 2.82Å; N36-G38 PolarHBondContact O-N 2.99Å
39M93.1Very high92.8Very high49 Ų4958.2 Ų58.224%0.24129%0.291CS..EExtended strand (participates in β ladder)trans-135.1163.1176.1-55.5-166-178.500109.4S37 Q75 I76S37-M39 PolarHBondContact OG-N 3.21Å; S37-M39 PolarHBondContact OG-O 3.42Å; S37-M39 VanDerWaalsContact OG-O 3.09Å; M39-Q75 HydrophobicContact CB-CB 3.85Å; M39-Q75 HydrophobicContact SD-CB 4.08Å; M39-I76 WeakPolarHBondContact CA-O 3.24Å
40I94.4Very high92.9Very high0 Ų060.8 Ų60.80%031%0.31CS..EExtended strand (participates in β ladder)trans-110.7116.6176.7-67.5-69000108.7F29 D33 E44 L45 Q75 I76 F81F29-I40 HydrophobicContact CD2-CD1 4.24Å; F29-I40 HydrophobicContact CD2-CG1 3.75Å; F29-I40 HydrophobicContact CE2-CB 4.41Å; F29-I40 HydrophobicContact CE2-CD1 4.08Å; F29-I40 HydrophobicContact CE2-CG1 3.28Å; F29-I40 HydrophobicContact CZ-CD1 4.32Å; F29-I40 HydrophobicContact CZ-CG1 3.75Å; D33-I40 HydrophobicContact CB-CD1 3.96Å; I40-E44 WeakPolarHBondContact CA-OE2 3.43Å; I40-E44 HydrophobicContact CD1-CB 4.17Å; I40-E44 HydrophobicContact CG2-CB 3.9Å; I40-L45 HydrophobicContact CG2-CB 3.81Å; I40-Q75 CarbonylContact O-C 3.59Å; I40-Q75 WeakPolarHBondContact O-CA 3.5Å; I40-I76 PolarHBondContact N-O 3.41Å; I40-I76 PolarHBondContact O-N 3.23Å; I40-F81 HydrophobicContact CG1-CD2 4.29Å; I40-F81 HydrophobicContact CG2-CD2 4.41Å
41D94Very high92.8Very high42 Ų4255.2 Ų55.223%0.22531%0.305CS..  trans-78.2178.3172.784.317.6000112.4N43 E44 L45 Q75D41-N43 PolarHBondContact O-N 2.82Å; D41-N43 WeakPolarHBondContact OD1-CA 3.22Å; D41-N43 WeakPolarHBondContact OD1-CB 3.43Å; D41-N43 PolarHBondContact OD1-N 2.9Å; D41-E44 PolarHBondContact N-OE2 3.03Å; D41-E44 PolarHBondContact O-N 2.81Å; D41-E44 WeakPolarHBondContact OD1-CG 3.31Å; D41-E44 PolarHBondContact OD1-N 3.24Å; D41-L45 VanDerWaalsContact O-CB 3.31Å; D41-L45 WeakPolarHBondContact O-CB 3.41Å; D41-L45 PolarHBondContact O-N 3.22Å; D41-Q75 HydrophobicContact CB-CG 4.31Å
42K93.4Very high92.7Very high55 Ų5554.6 Ų54.624%0.23929%0.294CS..Hα-helixtrans-59.8-41.5178.9-177.9-177.9175.7178.90113.3K46 D62 I65K42-K46 WeakPolarHBondContact O-CB 3.42Å; K42-K46 PolarHBondContact O-N 3.43Å; K42-D62 WeakPolarHBondContact CD-OD1 3.4Å; K42-D62 WeakPolarHBondContact CE-OD1 3.48Å; K42-D62 IonicContact NZ-OD1 2.75Å; K42-D62 PolarHBondContact NZ-OD1 2.83Å; K42-D62 IonicContact NZ-OD2 2.68Å; K42-D62 PolarHBondContact NZ-OD2 2.73Å; K42-I65 HydrophobicContact CB-CD1 4.3Å; K42-I65 HydrophobicContact CB-CG1 4.18Å; K42-I65 HydrophobicContact CG-CG1 4.36Å
43N94.4Very high92.7Very high102 Ų10255.6 Ų55.655%0.54532%0.316SS..Hα-helixtrans-70.5-40.2-177.5-65.7-48.7000110.9D41 K46 Q47D41-N43 PolarHBondContact O-N 2.82Å; D41-N43 WeakPolarHBondContact OD1-CA 3.22Å; D41-N43 WeakPolarHBondContact OD1-CB 3.43Å; D41-N43 PolarHBondContact OD1-N 2.9Å; N43-K46 PolarHBondContact O-N 2.68Å; N43-Q47 WeakPolarHBondContact O-CG 3.45Å; N43-Q47 PolarHBondContact O-N 2.99Å
44E95.3Very high92.6Very high9 Ų957.4 Ų57.44%0.04232%0.323CS..Hα-helixtrans-67.2-42.3175.7-66175.514300111Y32 R34 I40 D41 K46 Q47 A48Y32-E44 WeakPolarHBondContact O-CB 3.23Å; Y32-E44 WeakPolarHBondContact O-CG 3.22Å; R34-E44 PolarHBondContact N-OE1 3.44Å; I40-E44 WeakPolarHBondContact CA-OE2 3.43Å; I40-E44 HydrophobicContact CD1-CB 4.17Å; I40-E44 HydrophobicContact CG2-CB 3.9Å; D41-E44 PolarHBondContact N-OE2 3.03Å; D41-E44 PolarHBondContact O-N 2.81Å; D41-E44 WeakPolarHBondContact OD1-CG 3.31Å; D41-E44 PolarHBondContact OD1-N 3.24Å; E44-K46 VanDerWaalsContact C-N 3.32Å; E44-K46 PolarHBondContact O-N 3.21Å; E44-Q47 PolarHBondContact O-N 3.07Å; E44-A48 WeakPolarHBondContact O-CB 3.43Å; E44-A48 PolarHBondContact O-N 3.33Å
45L94.1Very high92.7Very high8 Ų861 Ų614%0.04234%0.337CS..Hα-helixtrans-58.3-46172.7-178.865.6000111I40 D41 Q47 A48 L49 L64 I65 I76 F81I40-L45 HydrophobicContact CG2-CB 3.81Å; D41-L45 VanDerWaalsContact O-CB 3.31Å; D41-L45 WeakPolarHBondContact O-CB 3.41Å; D41-L45 PolarHBondContact O-N 3.22Å; L45-Q47 VanDerWaalsContact C-N 3.32Å; L45-Q47 PolarHBondContact O-N 2.91Å; L45-A48 PolarHBondContact O-N 2.96Å; L45-L49 HydrophobicContact CD1-CD1 4.09Å; L45-L49 HydrophobicContact CD1-CG 4.08Å; L45-L49 HydrophobicContact CG-CD1 4.04Å; L45-L49 HydrophobicContact CG-CG 4.33Å; L45-L49 WeakPolarHBondContact O-CG 3.34Å; L45-L49 PolarHBondContact O-N 3.26Å; L45-L64 HydrophobicContact CD2-CB 4.06Å; L45-I65 HydrophobicContact CB-CD1 4.37Å; L45-I65 HydrophobicContact CD2-CD1 3.67Å; L45-I65 HydrophobicContact CD2-CG1 3.87Å; L45-I76 HydrophobicContact CD1-CD1 4.26Å; L45-I76 HydrophobicContact CD2-CD1 3.86Å; L45-F81 HydrophobicContact CD1-CD2 4.23Å; L45-F81 HydrophobicContact CD1-CE2 4.14Å
46K94.4Very high92.8Very high78 Ų7859.2 Ų59.234%0.33933%0.326SS..Hα-helixtrans-60.1-42.7177.7177.5175.9177.7174.80111.7K42 N43 E44 S50 D58K42-K46 WeakPolarHBondContact O-CB 3.42Å; K42-K46 PolarHBondContact O-N 3.43Å; N43-K46 PolarHBondContact O-N 2.68Å; E44-K46 VanDerWaalsContact C-N 3.32Å; E44-K46 PolarHBondContact O-N 3.21Å; K46-S50 VanDerWaalsContact O-CB 3.24Å; K46-S50 WeakPolarHBondContact O-CB 3.17Å; K46-S50 PolarHBondContact O-N 2.99Å; K46-S50 PolarHBondContact O-OG 3.44Å; K46-D58 WeakPolarHBondContact CE-OD1 3.48Å; K46-D58 IonicContact NZ-OD1 2.68Å; K46-D58 PolarHBondContact NZ-OD1 3.39Å; K46-D58 IonicContact NZ-OD2 3.97Å
47Q94.3Very high93.1Very high67 Ų6756.3 Ų56.331%0.31332%0.316SS..Hα-helixtrans-65.7-42.1176-71.4175.333.500111.8Y32 R34 N43 E44 L45 S50 G51Y32-Q47 HydrophobicContact CD1-CB 4.27Å; R34-Q47 VanDerWaalsContact NE-OE1 3.16Å; N43-Q47 WeakPolarHBondContact O-CG 3.45Å; N43-Q47 PolarHBondContact O-N 2.99Å; E44-Q47 PolarHBondContact O-N 3.07Å; L45-Q47 VanDerWaalsContact C-N 3.32Å; L45-Q47 PolarHBondContact O-N 2.91Å; Q47-S50 PolarHBondContact O-N 3.4Å; Q47-G51 PolarHBondContact O-N 3.39Å
48A93.8Very high93.2Very high0 Ų057.6 Ų57.60%032%0.319CS..Hα-helixtrans-60-53.6177.400000111.8Y32 E44 L45 S50 G51 F52 F81Y32-A48 HydrophobicContact CD1-CB 3.92Å; Y32-A48 HydrophobicContact CD2-CB 3.64Å; Y32-A48 VanDerWaalsContact CE1-CA 3.47Å; Y32-A48 HydrophobicContact CE1-CB 4.21Å; Y32-A48 HydrophobicContact CE2-CB 3.93Å; Y32-A48 HydrophobicContact CG-CB 3.63Å; E44-A48 WeakPolarHBondContact O-CB 3.43Å; E44-A48 PolarHBondContact O-N 3.33Å; L45-A48 PolarHBondContact O-N 2.96Å; A48-S50 VanDerWaalsContact C-N 3.33Å; A48-S50 PolarHBondContact O-N 3.31Å; A48-G51 PolarHBondContact O-N 2.86Å; A48-G51 VanDerWaalsContact O-N 3.12Å; A48-F52 HydrophobicContact CB-CE2 4.32Å; A48-F52 HydrophobicContact CB-CZ 4.48Å; A48-F52 WeakPolarHBondContact O-CD2 3.47Å; A48-F52 VanDerWaalsContact O-CG 3.23Å; A48-F52 WeakPolarHBondContact O-CG 3.39Å; A48-F52 PolarHBondContact O-N 3.46Å; A48-F81 HydrophobicContact CB-CE2 4Å; A48-F81 HydrophobicContact CB-CZ 4.05Å
49L93.8Very high93.4Very high4 Ų462.5 Ų62.52%0.02133%0.331CS..Hα-helixtrans-63.7-39.8-179.8-64.6-176.7000111.7L45 G51 F52 G53 Y54 L56 L64 L88L45-L49 HydrophobicContact CD1-CD1 4.09Å; L45-L49 HydrophobicContact CD1-CG 4.08Å; L45-L49 HydrophobicContact CG-CD1 4.04Å; L45-L49 HydrophobicContact CG-CG 4.33Å; L45-L49 WeakPolarHBondContact O-CG 3.34Å; L45-L49 PolarHBondContact O-N 3.26Å; L49-G51 VanDerWaalsContact C-N 3.34Å; L49-G51 PolarHBondContact O-N 3.34Å; L49-F52 HydrophobicContact CD2-CD2 4.2Å; L49-F52 CarbonylContact O-C 3.55Å; L49-F52 PolarHBondContact O-N 3.41Å; L49-G53 PolarHBondContact O-N 3.21Å; L49-Y54 HydrophobicContact CD2-CD2 4.29Å; L49-Y54 WeakPolarHBondContact O-CB 3.23Å; L49-Y54 PolarHBondContact O-N 3.48Å; L49-L56 HydrophobicContact CD1-CD1 4.02Å; L49-L64 HydrophobicContact CD1-CD1 3.48Å; L49-L64 VanDerWaalsContact CD1-CD1 3.48Å; L49-L88 HydrophobicContact CD1-CD2 4.49Å; L49-L88 HydrophobicContact CD2-CD2 3.67Å
50S93.6Very high93.4Very high66 Ų6664 Ų6446%0.46234%0.336SS..Hα-helixtrans-62.1-41.4173.4-59.80000111.9K46 Q47 A48 F52 G53 Y54K46-S50 VanDerWaalsContact O-CB 3.24Å; K46-S50 WeakPolarHBondContact O-CB 3.17Å; K46-S50 PolarHBondContact O-N 2.99Å; K46-S50 PolarHBondContact O-OG 3.44Å; Q47-S50 PolarHBondContact O-N 3.4Å; A48-S50 VanDerWaalsContact C-N 3.33Å; A48-S50 PolarHBondContact O-N 3.31Å; S50-F52 VanDerWaalsContact C-N 3.27Å; S50-F52 PolarHBondContact O-N 2.98Å; S50-G53 WeakPolarHBondContact O-CA 3.4Å; S50-G53 PolarHBondContact O-N 3.29Å; S50-Y54 WeakPolarHBondContact CA-O 3.38Å
51G91.5Very high93.3Very high52 Ų5264.1 Ų64.154%0.53634%0.337SS..Hα-helixtrans-64.3-30.4175.400000113.2Q47 A48 L49 G53Q47-G51 PolarHBondContact O-N 3.39Å; A48-G51 PolarHBondContact O-N 2.86Å; A48-G51 VanDerWaalsContact O-N 3.12Å; L49-G51 VanDerWaalsContact C-N 3.34Å; L49-G51 PolarHBondContact O-N 3.34Å; G51-G53 PolarHBondContact O-N 3.07Å
52F91.3Very high93.3Very high79 Ų7964.8 Ų64.835%0.34634%0.341SS..THydrogen-bonded Turntrans-79.3-2.2171.5-56.2-26.2000113.7V28 Y32 A48 L49 S50 Y54 F81V28-F52 HydrophobicContact CG1-CE1 3.81Å; V28-F52 HydrophobicContact CG1-CZ 3.54Å; Y32-F52 AromaticContact CE2-CE1 3.85Å; Y32-F52 HydrophobicContact CE2-CE1 3.85Å; Y32-F52 AromaticContact CE2-CZ 3.95Å; Y32-F52 HydrophobicContact CE2-CZ 3.95Å; A48-F52 HydrophobicContact CB-CE2 4.32Å; A48-F52 HydrophobicContact CB-CZ 4.48Å; A48-F52 WeakPolarHBondContact O-CD2 3.47Å; A48-F52 VanDerWaalsContact O-CG 3.23Å; A48-F52 WeakPolarHBondContact O-CG 3.39Å; A48-F52 PolarHBondContact O-N 3.46Å; L49-F52 HydrophobicContact CD2-CD2 4.2Å; L49-F52 CarbonylContact O-C 3.55Å; L49-F52 PolarHBondContact O-N 3.41Å; S50-F52 VanDerWaalsContact C-N 3.27Å; S50-F52 PolarHBondContact O-N 2.98Å; F52-Y54 HydrophobicContact CB-CD2 3.81Å; F52-Y54 HydrophobicContact CB-CE2 4.01Å; F52-F81 HydrophobicContact CE2-CZ 4.03Å; F52-F81 HydrophobicContact CZ-CZ 4.14Å
53G91.1Very high93.3Very high59 Ų5966.4 Ų66.461%0.60835%0.351SS*.THydrogen-bonded Turntrans91.76.2178.200000114.8L49 S50 G51L49-G53 PolarHBondContact O-N 3.21Å; S50-G53 WeakPolarHBondContact O-CA 3.4Å; S50-G53 PolarHBondContact O-N 3.29Å; G51-G53 PolarHBondContact O-N 3.07Å
54Y92.2Very high93.1Very high48 Ų4862.6 Ų62.619%0.18833%0.33CS..  trans-79.2126.5174.7-66.9-76.1000111.3L49 S50 F52 L88 T92L49-Y54 HydrophobicContact CD2-CD2 4.29Å; L49-Y54 WeakPolarHBondContact O-CB 3.23Å; L49-Y54 PolarHBondContact O-N 3.48Å; S50-Y54 WeakPolarHBondContact CA-O 3.38Å; F52-Y54 HydrophobicContact CB-CD2 3.81Å; F52-Y54 HydrophobicContact CB-CE2 4.01Å; Y54-L88 HydrophobicContact CD1-CD2 4Å; Y54-L88 HydrophobicContact CD1-CG 4.33Å; Y54-L88 HydrophobicContact CD2-CD2 3.76Å; Y54-L88 HydrophobicContact CE1-CD1 4.35Å; Y54-L88 HydrophobicContact CE1-CD2 3.88Å; Y54-L88 HydrophobicContact CE1-CG 3.81Å; Y54-L88 HydrophobicContact CE2-CD2 3.65Å; Y54-L88 HydrophobicContact CE2-CG 4.15Å; Y54-L88 HydrophobicContact CG-CD2 3.95Å; Y54-T92 HydrophobicContact CE1-CG2 4.18Å; Y54-T92 WeakPolarHBondContact CE1-OG1 3.43Å; Y54-T92 PolarHBondContact OH-OG1 3.42Å
55R90.9Very high93Very high247 Ų24762.9 Ų62.993%0.93233%0.332SS*.  trans-108.679.5175.1-62.9-174-178.3-169.71.4109.7
56L92.8Very high92.9Very high54 Ų5472.3 Ų72.328%0.28337%0.367SS..  trans-102.1153.2-176.2-58.4168.9000110.6L49 F60 H61 L64 L88L49-L56 HydrophobicContact CD1-CD1 4.02Å; L56-F60 HydrophobicContact CB-CB 4.44Å; L56-F60 HydrophobicContact CB-CD1 4.15Å; L56-F60 HydrophobicContact CD1-CD1 3.82Å; L56-F60 HydrophobicContact CD1-CE1 4.04Å; L56-F60 HydrophobicContact CD2-CD1 4.01Å; L56-F60 HydrophobicContact CD2-CE1 4.23Å; L56-F60 HydrophobicContact CG-CD1 4.19Å; L56-H61 PolarHBondContact O-CE1 3.47Å; L56-H61 VanDerWaalsContact O-CE1 3.26Å; L56-L64 HydrophobicContact CD1-CD1 4.22Å; L56-L88 HydrophobicContact CD1-CD2 4.49Å
57S94.6Very high92.7Very high70 Ų7076.1 Ų76.149%0.4938%0.383SS..  trans-72.7154.5176.367.90000111.3Q59 F60 H61S57-Q59 PolarHBondContact O-N 2.98Å; S57-F60 WeakPolarHBondContact O-CB 3.3Å; S57-F60 PolarHBondContact O-N 3.26Å; S57-F60 PolarHBondContact OG-N 3.07Å; S57-H61 PolarHBondContact O-N 3.49Å; S57-H61 VanDerWaalsContact O-N 3.13Å; S57-H61 PolarHBondContact O-ND1 2.92Å
58D93.7Very high92.4Very high78 Ų7874 Ų7442%0.41737%0.373SS..Hα-helixtrans-55.4-38.3175.5-10744.1000112.4K46 F60 H61 D62K46-D58 WeakPolarHBondContact CE-OD1 3.48Å; K46-D58 IonicContact NZ-OD1 2.68Å; K46-D58 PolarHBondContact NZ-OD1 3.39Å; K46-D58 IonicContact NZ-OD2 3.97Å; D58-F60 VanDerWaalsContact C-N 3.29Å; D58-F60 PolarHBondContact O-N 3.3Å; D58-H61 WeakPolarHBondContact O-CB 3.47Å; D58-H61 PolarHBondContact O-N 3.39Å; D58-D62 PolarHBondContact O-N 2.97Å; D58-D62 VanDerWaalsContact O-N 3.15Å
59Q94.7Very high92.2Very high146 Ų14675.2 Ų75.268%0.68238%0.38SS*.Hα-helixtrans-62.2-36.7175.8-173.9-1801300112.2S57 D62 I63S57-Q59 PolarHBondContact O-N 2.98Å; Q59-D62 WeakPolarHBondContact O-CB 3.32Å; Q59-D62 PolarHBondContact O-N 3.41Å; Q59-I63 WeakPolarHBondContact O-CG1 3.36Å; Q59-I63 PolarHBondContact O-N 3.32Å
60F92.9Very high91.5Very high79 Ų7982.6 Ų82.635%0.34641%0.407SS..Hα-helixtrans-72.1-34177.5-163.7-97.4000111.7L56 S57 D58 D62 I63 L64L56-F60 HydrophobicContact CB-CB 4.44Å; L56-F60 HydrophobicContact CB-CD1 4.15Å; L56-F60 HydrophobicContact CD1-CD1 3.82Å; L56-F60 HydrophobicContact CD1-CE1 4.04Å; L56-F60 HydrophobicContact CD2-CD1 4.01Å; L56-F60 HydrophobicContact CD2-CE1 4.23Å; L56-F60 HydrophobicContact CG-CD1 4.19Å; S57-F60 WeakPolarHBondContact O-CB 3.3Å; S57-F60 PolarHBondContact O-N 3.26Å; S57-F60 PolarHBondContact OG-N 3.07Å; D58-F60 VanDerWaalsContact C-N 3.29Å; D58-F60 PolarHBondContact O-N 3.3Å; F60-D62 VanDerWaalsContact C-N 3.29Å; F60-D62 PolarHBondContact O-N 3.21Å; F60-I63 HydrophobicContact CD2-CD1 4.29Å; F60-I63 WeakPolarHBondContact O-CB 3.47Å; F60-I63 PolarHBondContact O-N 3.37Å; F60-I63 VanDerWaalsContact O-N 3.13Å; F60-L64 HydrophobicContact CD1-CD1 3.92Å; F60-L64 HydrophobicContact CD1-CG 4.03Å; F60-L64 HydrophobicContact CE1-CD1 3.92Å; F60-L64 HydrophobicContact CE1-CD2 3.96Å; F60-L64 HydrophobicContact CE1-CG 3.92Å; F60-L64 WeakPolarHBondContact O-CG 3.45Å; F60-L64 PolarHBondContact O-N 2.95Å
61H93.7Very high91Very high3 Ų385.9 Ų85.91%0.01442%0.415CS..Hα-helixtrans-60-39.5170.8-63.494.8000111.7L56 S57 D58 I63 L64 I65L56-H61 PolarHBondContact O-CE1 3.47Å; L56-H61 VanDerWaalsContact O-CE1 3.26Å; S57-H61 PolarHBondContact O-N 3.49Å; S57-H61 VanDerWaalsContact O-N 3.13Å; S57-H61 PolarHBondContact O-ND1 2.92Å; D58-H61 WeakPolarHBondContact O-CB 3.47Å; D58-H61 PolarHBondContact O-N 3.39Å; H61-I63 VanDerWaalsContact C-N 3.3Å; H61-I63 PolarHBondContact O-N 3.25Å; H61-L64 PolarHBondContact O-N 2.95Å; H61-I65 WeakPolarHBondContact O-CG1 3.46Å; H61-I65 PolarHBondContact O-N 3.38Å
62D92.7Very high90.6Very high57 Ų5786.5 Ų86.531%0.30542%0.422SS..Hα-helixtrans-61.5-38.5173.9-70.6-52.6000112.6K42 D58 Q59 F60 R66K42-D62 WeakPolarHBondContact CD-OD1 3.4Å; K42-D62 WeakPolarHBondContact CE-OD1 3.48Å; K42-D62 IonicContact NZ-OD1 2.75Å; K42-D62 PolarHBondContact NZ-OD1 2.83Å; K42-D62 IonicContact NZ-OD2 2.68Å; K42-D62 PolarHBondContact NZ-OD2 2.73Å; D58-D62 PolarHBondContact O-N 2.97Å; D58-D62 VanDerWaalsContact O-N 3.15Å; Q59-D62 WeakPolarHBondContact O-CB 3.32Å; Q59-D62 PolarHBondContact O-N 3.41Å; F60-D62 VanDerWaalsContact C-N 3.29Å; F60-D62 PolarHBondContact O-N 3.21Å; D62-R66 VanDerWaalsContact O-CG 3.28Å; D62-R66 WeakPolarHBondContact O-CG 3.37Å; D62-R66 PolarHBondContact O-N 3.05Å
63I92.7Very high90.2Very high89 Ų8990.2 Ų90.246%0.45643%0.434SS..Hα-helixtrans-64.3-43.6175.7-65.9168.9000110.3Q59 F60 H61 R66 K67Q59-I63 WeakPolarHBondContact O-CG1 3.36Å; Q59-I63 PolarHBondContact O-N 3.32Å; F60-I63 HydrophobicContact CD2-CD1 4.29Å; F60-I63 WeakPolarHBondContact O-CB 3.47Å; F60-I63 PolarHBondContact O-N 3.37Å; F60-I63 VanDerWaalsContact O-N 3.13Å; H61-I63 VanDerWaalsContact C-N 3.3Å; H61-I63 PolarHBondContact O-N 3.25Å; I63-R66 PolarHBondContact O-N 2.79Å; I63-K67 VanDerWaalsContact O-CB 3.29Å; I63-K67 WeakPolarHBondContact O-CB 3.44Å; I63-K67 PolarHBondContact O-N 3.32Å
64L91.9Very high90Very high21 Ų2189.1 Ų89.111%0.1142%0.423CS..Hα-helixtrans-63.4-46.5178.5-67.5175.2000111.6L45 L49 L56 F60 H61 R66 K67 F68L45-L64 HydrophobicContact CD2-CB 4.06Å; L49-L64 HydrophobicContact CD1-CD1 3.48Å; L49-L64 VanDerWaalsContact CD1-CD1 3.48Å; L56-L64 HydrophobicContact CD1-CD1 4.22Å; F60-L64 HydrophobicContact CD1-CD1 3.92Å; F60-L64 HydrophobicContact CD1-CG 4.03Å; F60-L64 HydrophobicContact CE1-CD1 3.92Å; F60-L64 HydrophobicContact CE1-CD2 3.96Å; F60-L64 HydrophobicContact CE1-CG 3.92Å; F60-L64 WeakPolarHBondContact O-CG 3.45Å; F60-L64 PolarHBondContact O-N 2.95Å; H61-L64 PolarHBondContact O-N 2.95Å; L64-R66 PolarHBondContact O-N 3.27Å; L64-K67 PolarHBondContact O-N 2.91Å; L64-K67 VanDerWaalsContact O-N 3.11Å; L64-F68 HydrophobicContact CD2-CE2 3.97Å; L64-F68 VanDerWaalsContact O-CD2 3.26Å; L64-F68 WeakPolarHBondContact O-CD2 3.33Å; L64-F68 PolarHBondContact O-N 2.81Å
65I92.4Very high89.9Confident15 Ų1589.4 Ų89.48%0.07743%0.426CS..Hα-helixtrans-55.4-52.5175.1-67.4-73.8000109.8K42 L45 H61 K67 F68 D69 I76K42-I65 HydrophobicContact CB-CD1 4.3Å; K42-I65 HydrophobicContact CB-CG1 4.18Å; K42-I65 HydrophobicContact CG-CG1 4.36Å; L45-I65 HydrophobicContact CB-CD1 4.37Å; L45-I65 HydrophobicContact CD2-CD1 3.67Å; L45-I65 HydrophobicContact CD2-CG1 3.87Å; H61-I65 WeakPolarHBondContact O-CG1 3.46Å; H61-I65 PolarHBondContact O-N 3.38Å; I65-K67 PolarHBondContact O-N 2.85Å; I65-F68 PolarHBondContact O-N 3.43Å; I65-D69 HydrophobicContact CG2-CB 4.39Å; I65-D69 WeakPolarHBondContact O-CB 3.3Å; I65-D69 PolarHBondContact O-N 3.39Å; I65-I76 HydrophobicContact CD1-CD1 3.75Å; I65-I76 HydrophobicContact CD1-CG1 3.9Å
66R91.1Very high90Very high206 Ų20677.8 Ų77.878%0.77738%0.382SS*.Hα-helixtrans-61-29.5179.4-70.5173.3-175.6-177.92.5113.8D62 I63 L64D62-R66 VanDerWaalsContact O-CG 3.28Å; D62-R66 WeakPolarHBondContact O-CG 3.37Å; D62-R66 PolarHBondContact O-N 3.05Å; I63-R66 PolarHBondContact O-N 2.79Å; L64-R66 PolarHBondContact O-N 3.27Å
67K90.2Very high90Very high158 Ų15876.9 Ų76.969%0.68738%0.382SS*.Hα-helixtrans-77.5-36.2-178.4-176.961.4175.9179.30112.4I63 L64 I65I63-K67 VanDerWaalsContact O-CB 3.29Å; I63-K67 WeakPolarHBondContact O-CB 3.44Å; I63-K67 PolarHBondContact O-N 3.32Å; L64-K67 PolarHBondContact O-N 2.91Å; L64-K67 VanDerWaalsContact O-N 3.11Å; I65-K67 PolarHBondContact O-N 2.85Å
68F88.5Confident89.8Confident22 Ų2276 Ų7610%0.09637%0.37CS..Hα-helixtrans-107.2-14.7-173.1-65.6-70.6000113.8L64 I65 R70 I76 D80 G84L64-F68 HydrophobicContact CD2-CE2 3.97Å; L64-F68 VanDerWaalsContact O-CD2 3.26Å; L64-F68 WeakPolarHBondContact O-CD2 3.33Å; L64-F68 PolarHBondContact O-N 2.81Å; I65-F68 PolarHBondContact O-N 3.43Å; F68-R70 PolarHBondContact O-N 2.94Å; F68-I76 HydrophobicContact CB-CD1 4Å; F68-I76 HydrophobicContact CB-CG1 4.28Å; F68-I76 HydrophobicContact CB-CG2 4.3Å; F68-D80 HydrophobicContact CB-CB 4.45Å; F68-D80 WeakPolarHBondContact O-CB 3.46Å; F68-D80 VanDerWaalsContact O-CG 3.26Å; F68-G84 VanDerWaalsContact CE1-CA 3.46Å; F68-G84 VanDerWaalsContact CZ-CA 3.4Å
69D89Confident89.6Confident26 Ų2676.9 Ų76.914%0.13938%0.375CS..  trans-77.786171.1177.415.2000110.7I65 Q71 G72 R73 G74I65-D69 HydrophobicContact CG2-CB 4.39Å; I65-D69 WeakPolarHBondContact O-CB 3.3Å; I65-D69 PolarHBondContact O-N 3.39Å; D69-Q71 PolarHBondContact O-N 3.18Å; D69-Q71 PolarHBondContact OD1-N 3.02Å; D69-Q71 VanDerWaalsContact OD1-N 3.17Å; D69-G72 VanDerWaalsContact CG-N 3.33Å; D69-G72 PolarHBondContact OD1-N 3.11Å; D69-G72 WeakPolarHBondContact OD2-CA 3.46Å; D69-G72 PolarHBondContact OD2-N 3.38Å; D69-R73 PolarHBondContact OD1-N 3.25Å; D69-R73 VanDerWaalsContact OD1-N 3.16Å; D69-R73 PolarHBondContact OD2-N 2.79Å; D69-G74 WeakPolarHBondContact OD2-CA 3.26Å; D69-G74 PolarHBondContact OD2-N 3.09Å
70R80.3Confident89.4Confident159 Ų15970.4 Ų70.460%0.635%0.345SS*.THydrogen-bonded Turntrans-67.9-20.5177.5-61.6-178-165.6-1767.3113.3F68 D80F68-R70 PolarHBondContact O-N 2.94Å; R70-D80 IonicContact CZ-OD1 2.72Å; R70-D80 IonicContact NE-OD1 2.73Å; R70-D80 PolarHBondContact NE-OD1 2.91Å; R70-D80 IonicContact NE-OD2 2.81Å; R70-D80 IonicContact NH2-OD1 3.55Å; R70-D80 PolarHBondContact NH2-OD1 3Å
71Q82.3Confident89.4Confident135 Ų13566.8 Ų66.863%0.63133%0.329SS*.THydrogen-bonded Turntrans-99.1-6.9-174.6-61.5-142.3-000113.5D69 R73D69-Q71 PolarHBondContact O-N 3.18Å; D69-Q71 PolarHBondContact OD1-N 3.02Å; D69-Q71 VanDerWaalsContact OD1-N 3.17Å; Q71-R73 VanDerWaalsContact C-N 3.28Å; Q71-R73 HydrophobicContact CB-CG 4.01Å; Q71-R73 PolarHBondContact O-N 3.47Å; Q71-R73 VanDerWaalsContact OE1-CZ 3.24Å; Q71-R73 VanDerWaalsContact OE1-NE 3.16Å
72G83.7Confident89.2Confident66 Ų6667.7 Ų67.768%0.6833%0.334SS*.SBendtrans66.827.4179.900000113.6D69D69-G72 VanDerWaalsContact CG-N 3.33Å; D69-G72 PolarHBondContact OD1-N 3.11Å; D69-G72 WeakPolarHBondContact OD2-CA 3.46Å; D69-G72 PolarHBondContact OD2-N 3.38Å
73R82.4Confident89Confident156 Ų15669.3 Ų69.359%0.58934%0.339SS*.SBendtrans-92.4-4.4-177.7-62.8-173.7-172.7-1644.9113.6D69 Q71 Q75D69-R73 PolarHBondContact OD1-N 3.25Å; D69-R73 VanDerWaalsContact OD1-N 3.16Å; D69-R73 PolarHBondContact OD2-N 2.79Å; Q71-R73 VanDerWaalsContact C-N 3.28Å; Q71-R73 HydrophobicContact CB-CG 4.01Å; Q71-R73 PolarHBondContact O-N 3.47Å; Q71-R73 VanDerWaalsContact OE1-CZ 3.24Å; Q71-R73 VanDerWaalsContact OE1-NE 3.16Å; R73-Q75 VanDerWaalsContact C-N 3.25Å
74G86.4Confident88.9Confident37 Ų3765.6 Ų65.638%0.38132%0.322SS..SBendtrans75.114.2-172.100000113.6D69D69-G74 WeakPolarHBondContact OD2-CA 3.26Å; D69-G74 PolarHBondContact OD2-N 3.09Å
75Q90.8Very high88.9Confident54 Ų5465.1 Ų65.125%0.25232%0.321SS..  trans-135.9152-178.6-58.9-178.8-61.300110.2M39 I40 D41 R73M39-Q75 HydrophobicContact CB-CB 3.85Å; M39-Q75 HydrophobicContact SD-CB 4.08Å; I40-Q75 CarbonylContact O-C 3.59Å; I40-Q75 WeakPolarHBondContact O-CA 3.5Å; D41-Q75 HydrophobicContact CB-CG 4.31Å; R73-Q75 VanDerWaalsContact C-N 3.25Å
76I93Very high88.7Confident3 Ų366.4 Ų66.42%0.01533%0.327CS..EExtended strand (participates in β ladder)trans-107.2128.7-178.3-60.6177.1000109.3M39 I40 L45 I65 F68 D80 F81M39-I76 WeakPolarHBondContact CA-O 3.24Å; I40-I76 PolarHBondContact N-O 3.41Å; I40-I76 PolarHBondContact O-N 3.23Å; L45-I76 HydrophobicContact CD1-CD1 4.26Å; L45-I76 HydrophobicContact CD2-CD1 3.86Å; I65-I76 HydrophobicContact CD1-CD1 3.75Å; I65-I76 HydrophobicContact CD1-CG1 3.9Å; F68-I76 HydrophobicContact CB-CD1 4Å; F68-I76 HydrophobicContact CB-CG1 4.28Å; F68-I76 HydrophobicContact CB-CG2 4.3Å; I76-D80 HydrophobicContact CG2-CB 3.61Å; I76-F81 HydrophobicContact CG2-CB 3.91Å; I76-F81 VanDerWaalsContact CG2-N 3.31Å
77A92.6Very high88.6Confident34 Ų3458.8 Ų58.828%0.28130%0.304SS..EExtended strand (participates in β ladder)trans-73.2162.3174.300000111.9D79 D80 F81A77-D79 WeakPolarHBondContact CB-OD1 3.36Å; A77-D79 PolarHBondContact O-N 2.94Å; A77-D80 PolarHBondContact O-N 3.37Å; A77-F81 WeakPolarHBondContact O-CB 3.05Å; A77-F81 PolarHBondContact O-N 2.73Å
78F90.5Very high88.7Confident52 Ų5252.3 Ų52.323%0.22828%0.276CS..Hα-helixtrans-53.6-46.6-176.9175.1-117.9000114.3W25 Q26 F29 F81 I82W25-F78 HydrophobicContact CB-CE2 4.15Å; W25-F78 HydrophobicContact CB-CZ 4.03Å; Q26-F78 HydrophobicContact CB-CZ 4.25Å; Q26-F78 HydrophobicContact CG-CE1 3.9Å; Q26-F78 HydrophobicContact CG-CE2 3.98Å; Q26-F78 HydrophobicContact CG-CZ 3.38Å; F29-F78 HydrophobicContact CB-CD2 3.72Å; F29-F78 HydrophobicContact CB-CE2 3.77Å; F29-F78 HydrophobicContact CD1-CD2 4.17Å; F29-F78 HydrophobicContact CD2-CB 4.33Å; F29-F78 AromaticContact CD2-CD2 3.54Å; F29-F78 HydrophobicContact CD2-CD2 3.54Å; F29-F78 HydrophobicContact CD2-CE2 4.37Å; F29-F78 HydrophobicContact CD2-CG 4.43Å; F29-F78 HydrophobicContact CE2-CB 4Å; F29-F78 HydrophobicContact CE2-CD2 4.08Å; F29-F78 AromaticContact CG-CD2 3.54Å; F29-F78 HydrophobicContact CG-CD2 3.54Å; F29-F78 HydrophobicContact CG-CE2 4.13Å; F29-F78 HydrophobicContact CZ-CB 4.17Å; F78-F81 PolarHBondContact O-N 2.9Å; F78-I82 HydrophobicContact CD1-CD1 4Å; F78-I82 HydrophobicContact CD2-CD1 4.1Å; F78-I82 HydrophobicContact CD2-CG1 4.44Å; F78-I82 HydrophobicContact CE1-CD1 3.47Å; F78-I82 VanDerWaalsContact CE1-CD1 3.47Å; F78-I82 HydrophobicContact CE2-CD1 3.59Å; F78-I82 HydrophobicContact CE2-CG1 4.06Å; F78-I82 HydrophobicContact CG-CD1 4.3Å; F78-I82 HydrophobicContact CZ-CD1 3.25Å; F78-I82 HydrophobicContact CZ-CG1 4.21Å; F78-I82 WeakPolarHBondContact O-CG1 3.28Å; F78-I82 PolarHBondContact O-N 3.28Å
79D89.9Confident88.8Confident97 Ų9756.1 Ų56.152%0.51930%0.295SS..Hα-helixtrans-66-41.8179.157.6-32.7000112.2A77 F81 I82 Q83A77-D79 WeakPolarHBondContact CB-OD1 3.36Å; A77-D79 PolarHBondContact O-N 2.94Å; D79-F81 VanDerWaalsContact C-N 3.35Å; D79-I82 PolarHBondContact O-N 2.75Å; D79-Q83 WeakPolarHBondContact O-CB 3.18Å; D79-Q83 PolarHBondContact O-N 3.33Å
80D91.3Very high88.9Confident10 Ų1061 Ų615%0.05331%0.311CS..Hα-helixtrans-66.7-35.1174.9-80.2-44.5000112.7F68 R70 I76 A77 Q83 G84F68-D80 HydrophobicContact CB-CB 4.45Å; F68-D80 WeakPolarHBondContact O-CB 3.46Å; F68-D80 VanDerWaalsContact O-CG 3.26Å; R70-D80 IonicContact CZ-OD1 2.72Å; R70-D80 IonicContact NE-OD1 2.73Å; R70-D80 PolarHBondContact NE-OD1 2.91Å; R70-D80 IonicContact NE-OD2 2.81Å; R70-D80 IonicContact NH2-OD1 3.55Å; R70-D80 PolarHBondContact NH2-OD1 3Å; I76-D80 HydrophobicContact CG2-CB 3.61Å; A77-D80 PolarHBondContact O-N 3.37Å; D80-Q83 PolarHBondContact O-N 3.02Å; D80-G84 PolarHBondContact O-N 2.9Å
81F91.3Very high89.4Confident3 Ų357.1 Ų57.11%0.01330%0.302CS..Hα-helixtrans-64.8-46.8175174.9-99.8000111.3W25 F29 I40 L45 A48 F52 I76 A77 F78 D79 Q83 G84 C85W25-F81 HydrophobicContact CE3-CD1 4.44Å; W25-F81 HydrophobicContact CE3-CE1 4.08Å; W25-F81 HydrophobicContact CZ3-CD1 4.42Å; W25-F81 AromaticContact CZ3-CE1 3.84Å; W25-F81 HydrophobicContact CZ3-CE1 3.84Å; F29-F81 HydrophobicContact CD2-CB 4.22Å; F29-F81 AromaticContact CD2-CD1 3.8Å; F29-F81 HydrophobicContact CD2-CD1 3.8Å; F29-F81 HydrophobicContact CD2-CE1 4.41Å; F29-F81 HydrophobicContact CD2-CG 4.08Å; F29-F81 HydrophobicContact CE2-CB 4.18Å; F29-F81 HydrophobicContact CE2-CG 4.42Å; I40-F81 HydrophobicContact CG1-CD2 4.29Å; I40-F81 HydrophobicContact CG2-CD2 4.41Å; L45-F81 HydrophobicContact CD1-CD2 4.23Å; L45-F81 HydrophobicContact CD1-CE2 4.14Å; A48-F81 HydrophobicContact CB-CE2 4Å; A48-F81 HydrophobicContact CB-CZ 4.05Å; F52-F81 HydrophobicContact CE2-CZ 4.03Å; F52-F81 HydrophobicContact CZ-CZ 4.14Å; I76-F81 HydrophobicContact CG2-CB 3.91Å; I76-F81 VanDerWaalsContact CG2-N 3.31Å; A77-F81 WeakPolarHBondContact O-CB 3.05Å; A77-F81 PolarHBondContact O-N 2.73Å; F78-F81 PolarHBondContact O-N 2.9Å; D79-F81 VanDerWaalsContact C-N 3.35Å; F81-Q83 VanDerWaalsContact C-N 3.35Å; F81-Q83 PolarHBondContact O-N 3.4Å; F81-G84 PolarHBondContact O-N 3.26Å; F81-C85 PolarHBondContact O-N 2.98Å; F81-C85 PolarHBondContact O-SG 2.87Å
82I90.8Very high89.9Confident22 Ų2251.8 Ų51.811%0.11328%0.278CS..Hα-helixtrans-59.3-49175.2-67.6163.9000109.9W25 F78 D79 G84 C85 I86W25-I82 HydrophobicContact CB-CD1 3.94Å; W25-I82 HydrophobicContact CB-CG1 3.98Å; W25-I82 HydrophobicContact CD2-CG1 3.91Å; W25-I82 HydrophobicContact CD2-CG2 4.38Å; W25-I82 HydrophobicContact CE3-CG1 4.04Å; W25-I82 HydrophobicContact CG-CD1 4.2Å; W25-I82 HydrophobicContact CG-CG1 3.88Å; W25-I82 HydrophobicContact CG-CG2 4.48Å; F78-I82 HydrophobicContact CD1-CD1 4Å; F78-I82 HydrophobicContact CD2-CD1 4.1Å; F78-I82 HydrophobicContact CD2-CG1 4.44Å; F78-I82 HydrophobicContact CE1-CD1 3.47Å; F78-I82 VanDerWaalsContact CE1-CD1 3.47Å; F78-I82 HydrophobicContact CE2-CD1 3.59Å; F78-I82 HydrophobicContact CE2-CG1 4.06Å; F78-I82 HydrophobicContact CG-CD1 4.3Å; F78-I82 HydrophobicContact CZ-CD1 3.25Å; F78-I82 HydrophobicContact CZ-CG1 4.21Å; F78-I82 WeakPolarHBondContact O-CG1 3.28Å; F78-I82 PolarHBondContact O-N 3.28Å; D79-I82 PolarHBondContact O-N 2.75Å; I82-G84 VanDerWaalsContact C-N 3.31Å; I82-G84 PolarHBondContact O-N 3.44Å; I82-C85 PolarHBondContact O-N 3.23Å; I82-I86 HydrophobicContact CG2-CD1 3.63Å; I82-I86 HydrophobicContact CG2-CG1 4.27Å; I82-I86 VanDerWaalsContact O-CG1 3.28Å; I82-I86 WeakPolarHBondContact O-CG1 3.41Å; I82-I86 PolarHBondContact O-N 3.41Å
83Q89Confident90.3Very high91 Ų9151.9 Ų51.943%0.42526%0.263SS..Hα-helixtrans-58.8-44.6179.6-176.4176.6-31.500111.3D79 D80 F81 I86 V87D79-Q83 WeakPolarHBondContact O-CB 3.18Å; D79-Q83 PolarHBondContact O-N 3.33Å; D80-Q83 PolarHBondContact O-N 3.02Å; F81-Q83 VanDerWaalsContact C-N 3.35Å; F81-Q83 PolarHBondContact O-N 3.4Å; Q83-I86 PolarHBondContact O-N 3.44Å; Q83-V87 VanDerWaalsContact O-CG2 3.3Å; Q83-V87 WeakPolarHBondContact O-CG2 3.05Å; Q83-V87 PolarHBondContact O-N 3.45Å
84G90Very high90.8Very high10 Ų1045.4 Ų45.410%0.10324%0.24CC..Hα-helixtrans-61.1-44.1177.300000113F68 D80 F81 I82 V87 L88F68-G84 VanDerWaalsContact CE1-CA 3.46Å; F68-G84 VanDerWaalsContact CZ-CA 3.4Å; D80-G84 PolarHBondContact O-N 2.9Å; F81-G84 PolarHBondContact O-N 3.26Å; I82-G84 VanDerWaalsContact C-N 3.31Å; I82-G84 PolarHBondContact O-N 3.44Å; G84-V87 PolarHBondContact O-N 3.26Å; G84-L88 WeakPolarHBondContact O-CB 3.36Å; G84-L88 PolarHBondContact O-N 2.91Å
85C90.6Very high91.1Very high12 Ų1247.1 Ų47.18%0.08124%0.237CC..Hα-helixtrans-64.9-41.5177.2-65.30000112.4W25 F81 I82 L88 Q89W25-C85 HydrophobicContact CH2-CB 3.36Å; W25-C85 HydrophobicContact CZ2-CB 4.25Å; W25-C85 HydrophobicContact CZ3-CB 3.82Å; F81-C85 PolarHBondContact O-N 2.98Å; F81-C85 PolarHBondContact O-SG 2.87Å; I82-C85 PolarHBondContact O-N 3.23Å; C85-L88 PolarHBondContact O-N 3.18Å; C85-Q89 VanDerWaalsContact O-CB 3.32Å; C85-Q89 WeakPolarHBondContact O-CB 3.39Å; C85-Q89 PolarHBondContact O-N 2.98Å
86I89.5Confident91.2Very high41 Ų4152.5 Ų52.521%0.2126%0.256CS..Hα-helixtrans-62.5-44.9176.6-66.4165.6000110.7Y21 I82 Q83 Q89 R90Y21-I86 VanDerWaalsContact OH-CD1 3.27Å; Y21-I86 WeakPolarHBondContact OH-CD1 3.34Å; I82-I86 HydrophobicContact CG2-CD1 3.63Å; I82-I86 HydrophobicContact CG2-CG1 4.27Å; I82-I86 VanDerWaalsContact O-CG1 3.28Å; I82-I86 WeakPolarHBondContact O-CG1 3.41Å; I82-I86 PolarHBondContact O-N 3.41Å; Q83-I86 PolarHBondContact O-N 3.44Å; I86-Q89 PolarHBondContact O-N 3.05Å; I86-R90 WeakPolarHBondContact O-CG 3.44Å; I86-R90 PolarHBondContact O-N 2.84Å
87V89.7Confident91.1Very high47 Ų4761.5 Ų61.529%0.28529%0.289SS..Hα-helixtrans-62.8-46.1178.7169.50000110.3Q83 G84 Q89 R90 L91Q83-V87 VanDerWaalsContact O-CG2 3.3Å; Q83-V87 WeakPolarHBondContact O-CG2 3.05Å; Q83-V87 PolarHBondContact O-N 3.45Å; G84-V87 PolarHBondContact O-N 3.26Å; V87-Q89 VanDerWaalsContact C-N 3.34Å; V87-Q89 PolarHBondContact O-N 2.73Å; V87-R90 PolarHBondContact O-N 3.41Å; V87-L91 HydrophobicContact CG1-CD1 3.83Å; V87-L91 WeakPolarHBondContact O-CB 3.49Å; V87-L91 WeakPolarHBondContact O-CG 3.13Å; V87-L91 PolarHBondContact O-N 3.38Å
88L91.2Very high91.1Very high21 Ų2164.1 Ų64.111%0.1129%0.292CS..Hα-helixtrans-62.3-41.8178.2-171.464.8000111.5L49 Y54 L56 G84 C85 L91 T92L49-L88 HydrophobicContact CD1-CD2 4.49Å; L49-L88 HydrophobicContact CD2-CD2 3.67Å; Y54-L88 HydrophobicContact CD1-CD2 4Å; Y54-L88 HydrophobicContact CD1-CG 4.33Å; Y54-L88 HydrophobicContact CD2-CD2 3.76Å; Y54-L88 HydrophobicContact CE1-CD1 4.35Å; Y54-L88 HydrophobicContact CE1-CD2 3.88Å; Y54-L88 HydrophobicContact CE1-CG 3.81Å; Y54-L88 HydrophobicContact CE2-CD2 3.65Å; Y54-L88 HydrophobicContact CE2-CG 4.15Å; Y54-L88 HydrophobicContact CG-CD2 3.95Å; L56-L88 HydrophobicContact CD1-CD2 4.49Å; G84-L88 WeakPolarHBondContact O-CB 3.36Å; G84-L88 PolarHBondContact O-N 2.91Å; C85-L88 PolarHBondContact O-N 3.18Å; L88-L91 PolarHBondContact O-N 2.99Å; L88-T92 WeakPolarHBondContact O-CB 3.5Å; L88-T92 PolarHBondContact O-N 3.43Å; L88-T92 PolarHBondContact O-OG1 3.38Å
89Q90.9Very high91.4Very high102 Ų10262.4 Ų62.448%0.47729%0.286SS..Hα-helixtrans-59.7-49175.5-176-179.410.500111.4C85 I86 V87 L91 T92 D93C85-Q89 VanDerWaalsContact O-CB 3.32Å; C85-Q89 WeakPolarHBondContact O-CB 3.39Å; C85-Q89 PolarHBondContact O-N 2.98Å; I86-Q89 PolarHBondContact O-N 3.05Å; V87-Q89 VanDerWaalsContact C-N 3.34Å; V87-Q89 PolarHBondContact O-N 2.73Å; Q89-L91 PolarHBondContact O-N 2.89Å; Q89-T92 WeakPolarHBondContact O-CB 3.36Å; Q89-T92 PolarHBondContact O-N 2.97Å; Q89-T92 VanDerWaalsContact O-N 3.14Å; Q89-D93 VanDerWaalsContact O-CG 3.29Å; Q89-D93 PolarHBondContact O-N 2.85Å
90R90.8Very high91.4Very high129 Ų12963.8 Ų63.849%0.48730%0.298SS..Hα-helixtrans-60.2-45.3178.2-71.9178.8-177.5-160.52.1112.4I86 V87 T92 D93 I94I86-R90 WeakPolarHBondContact O-CG 3.44Å; I86-R90 PolarHBondContact O-N 2.84Å; V87-R90 PolarHBondContact O-N 3.41Å; R90-T92 VanDerWaalsContact C-N 3.28Å; R90-T92 PolarHBondContact O-N 3.49Å; R90-D93 PolarHBondContact O-N 3.19Å; R90-I94 WeakPolarHBondContact O-CD1 3.27Å; R90-I94 WeakPolarHBondContact O-CG1 3.47Å; R90-I94 PolarHBondContact O-N 3.3Å
91L91.7Very high91.6Very high77 Ų7768.5 Ų68.540%0.40332%0.323SS..Hα-helixtrans-57.1-44.5174.7-79.1162.3000111.1V87 L88 Q89 I94 F95 I120V87-L91 HydrophobicContact CG1-CD1 3.83Å; V87-L91 WeakPolarHBondContact O-CB 3.49Å; V87-L91 WeakPolarHBondContact O-CG 3.13Å; V87-L91 PolarHBondContact O-N 3.38Å; L88-L91 PolarHBondContact O-N 2.99Å; Q89-L91 PolarHBondContact O-N 2.89Å; L91-I94 PolarHBondContact O-N 2.85Å; L91-F95 VanDerWaalsContact O-CB 3.32Å; L91-F95 WeakPolarHBondContact O-CB 3.34Å; L91-F95 PolarHBondContact O-N 3.05Å; L91-I120 HydrophobicContact CD2-CD1 3.34Å; L91-I120 HydrophobicContact CG-CD1 4.06Å
92T92.4Very high91.5Very high23 Ų2376.6 Ų76.614%0.14136%0.361CS..Hα-helixtrans-64.4-44178.9-52.40000111.6Y54 L88 Q89 R90 I94 F95 R96Y54-T92 HydrophobicContact CE1-CG2 4.18Å; Y54-T92 WeakPolarHBondContact CE1-OG1 3.43Å; Y54-T92 PolarHBondContact OH-OG1 3.42Å; L88-T92 WeakPolarHBondContact O-CB 3.5Å; L88-T92 PolarHBondContact O-N 3.43Å; L88-T92 PolarHBondContact O-OG1 3.38Å; Q89-T92 WeakPolarHBondContact O-CB 3.36Å; Q89-T92 PolarHBondContact O-N 2.97Å; Q89-T92 VanDerWaalsContact O-N 3.14Å; R90-T92 VanDerWaalsContact C-N 3.28Å; R90-T92 PolarHBondContact O-N 3.49Å; T92-I94 VanDerWaalsContact C-N 3.31Å; T92-I94 PolarHBondContact O-N 3.43Å; T92-F95 PolarHBondContact O-N 3.06Å; T92-R96 HydrophobicContact CG2-CG 4.4Å; T92-R96 WeakPolarHBondContact O-CB 3.47Å; T92-R96 WeakPolarHBondContact O-CG 3.28Å; T92-R96 PolarHBondContact O-N 3.16Å
93D91.9Very high91.7Very high68 Ų6879.7 Ų79.736%0.36438%0.378SS..Hα-helixtrans-65.1-37.2-179.5-71.3-19.2000111.7Q89 R90 R97Q89-D93 VanDerWaalsContact O-CG 3.29Å; Q89-D93 PolarHBondContact O-N 2.85Å; R90-D93 PolarHBondContact O-N 3.19Å; D93-R97 WeakPolarHBondContact O-CG 3.3Å
94I92.4Very high91.8Very high21 Ų2177.4 Ų77.411%0.10838%0.379CS..Hα-helixtrans-69.1-50.1174.4-67.9159.8000109.6R90 L91 T92 R96 R97 Y98 M116 S119 I120R90-I94 WeakPolarHBondContact O-CD1 3.27Å; R90-I94 WeakPolarHBondContact O-CG1 3.47Å; R90-I94 PolarHBondContact O-N 3.3Å; L91-I94 PolarHBondContact O-N 2.85Å; T92-I94 VanDerWaalsContact C-N 3.31Å; T92-I94 PolarHBondContact O-N 3.43Å; I94-R96 VanDerWaalsContact C-N 3.32Å; I94-R96 PolarHBondContact O-N 3.43Å; I94-R97 WeakPolarHBondContact O-CB 3.38Å; I94-R97 PolarHBondContact O-N 2.87Å; I94-Y98 HydrophobicContact CG2-CE2 4.27Å; I94-Y98 VanDerWaalsContact O-CD2 3.3Å; I94-Y98 WeakPolarHBondContact O-CD2 3.45Å; I94-M116 HydrophobicContact CG2-CB 3.81Å; I94-M116 HydrophobicContact CG2-CG 3.63Å; I94-M116 HydrophobicContact CG2-SD 4.31Å; I94-S119 VanDerWaalsContact CD1-OG 3.23Å; I94-S119 WeakPolarHBondContact CD1-OG 3.34Å; I94-I120 HydrophobicContact CD1-CD1 3.75Å; I94-I120 HydrophobicContact CD1-CG1 3.21Å
95F93.4Very high92Very high72 Ų7286.5 Ų86.532%0.31641%0.41SS..Hα-helixtrans-53.8-47.9179.3-176.8-89.7000112L91 T92 R97 Y98 D99 G104 I106L91-F95 VanDerWaalsContact O-CB 3.32Å; L91-F95 WeakPolarHBondContact O-CB 3.34Å; L91-F95 PolarHBondContact O-N 3.05Å; T92-F95 PolarHBondContact O-N 3.06Å; F95-R97 PolarHBondContact O-N 3.17Å; F95-R97 VanDerWaalsContact O-N 3.15Å; F95-Y98 PolarHBondContact O-N 2.8Å; F95-D99 HydrophobicContact CD1-CB 3.9Å; F95-D99 HydrophobicContact CE1-CB 3.58Å; F95-D99 WeakPolarHBondContact CE1-OD2 3.29Å; F95-D99 HydrophobicContact CZ-CB 4.29Å; F95-D99 PolarHBondContact O-N 3.4Å; F95-G104 WeakPolarHBondContact CZ-O 3.17Å; F95-I106 HydrophobicContact CD2-CD1 3.76Å; F95-I106 HydrophobicContact CD2-CG1 4.36Å; F95-I106 HydrophobicContact CD2-CG2 4.32Å; F95-I106 HydrophobicContact CE1-CG2 4.27Å; F95-I106 HydrophobicContact CE2-CB 4.42Å; F95-I106 HydrophobicContact CE2-CD1 3.77Å; F95-I106 HydrophobicContact CE2-CG1 3.85Å; F95-I106 HydrophobicContact CE2-CG2 3.82Å; F95-I106 HydrophobicContact CZ-CG2 3.78Å
96R92.3Very high92.2Very high168 Ų16888.4 Ų88.463%0.63442%0.419SS*.Hα-helixtrans-61.4-21.6179-78.3-178.6177.4162.90.2114.9T92 I94T92-R96 HydrophobicContact CG2-CG 4.4Å; T92-R96 WeakPolarHBondContact O-CB 3.47Å; T92-R96 WeakPolarHBondContact O-CG 3.28Å; T92-R96 PolarHBondContact O-N 3.16Å; I94-R96 VanDerWaalsContact C-N 3.32Å; I94-R96 PolarHBondContact O-N 3.43Å
97R91.8Very high92.5Very high192 Ų19295.9 Ų95.973%0.72545%0.453SS*.Hα-helixtrans-71.7-24.8174.1-68.4169.1-171.4-158.51.5112.1D93 I94 F95D93-R97 WeakPolarHBondContact O-CG 3.3Å; I94-R97 WeakPolarHBondContact O-CB 3.38Å; I94-R97 PolarHBondContact O-N 2.87Å; F95-R97 PolarHBondContact O-N 3.17Å; F95-R97 VanDerWaalsContact O-N 3.15Å
98Y92.6Very high92.7Very high88 Ų8895.9 Ų95.935%0.34545%0.453SS..Hα-helixtrans-102.8-26.4-179.5-64.8-88.8000112.3I94 F95 T100 V108 M116I94-Y98 HydrophobicContact CG2-CE2 4.27Å; I94-Y98 VanDerWaalsContact O-CD2 3.3Å; I94-Y98 WeakPolarHBondContact O-CD2 3.45Å; F95-Y98 PolarHBondContact O-N 2.8Å; Y98-T100 VanDerWaalsContact C-N 3.32Å; Y98-T100 PolarHBondContact O-N 2.75Å; Y98-T100 VanDerWaalsContact O-N 3.1Å; Y98-V108 HydrophobicContact CD1-CG1 4.29Å; Y98-M116 HydrophobicContact CD1-CE 3.44Å; Y98-M116 VanDerWaalsContact CD1-CE 3.44Å; Y98-M116 HydrophobicContact CD2-CE 3.29Å; Y98-M116 HydrophobicContact CD2-CG 4.21Å; Y98-M116 HydrophobicContact CD2-SD 3.84Å; Y98-M116 HydrophobicContact CE1-CE 3.48Å; Y98-M116 VanDerWaalsContact CE1-CE 3.48Å; Y98-M116 HydrophobicContact CE2-CE 3.36Å; Y98-M116 HydrophobicContact CE2-CG 3.68Å; Y98-M116 HydrophobicContact CE2-SD 3.93Å; Y98-M116 HydrophobicContact CG-CE 3.35Å; Y98-M116 HydrophobicContact CG-SD 4.37Å; Y98-M116 VanDerWaalsContact CZ-CE 3.45Å
99D95.3Very high93Very high17 Ų1797.6 Ų97.69%0.09147%0.467CS..  trans-8172.4172.4-178.217.3000110.8F95 D101 Q102 D103 G104 I106F95-D99 HydrophobicContact CD1-CB 3.9Å; F95-D99 HydrophobicContact CE1-CB 3.58Å; F95-D99 WeakPolarHBondContact CE1-OD2 3.29Å; F95-D99 HydrophobicContact CZ-CB 4.29Å; F95-D99 PolarHBondContact O-N 3.4Å; D99-D101 VanDerWaalsContact C-N 3.34Å; D99-Q102 WeakPolarHBondContact OD1-CA 3.34Å; D99-Q102 PolarHBondContact OD1-N 3.17Å; D99-D103 PolarHBondContact OD1-N 3.13Å; D99-D103 VanDerWaalsContact OD1-N 3.13Å; D99-G104 PolarHBondContact OD2-N 3.33Å; D99-I106 HydrophobicContact CB-CG2 3.65Å
100T91.8Very high93.2Very high125 Ų125101.1 Ų101.177%0.76748%0.477SS*.SBendtrans-72.9-25.6-17451.80000113.9Y98Y98-T100 VanDerWaalsContact C-N 3.32Å; Y98-T100 PolarHBondContact O-N 2.75Å; Y98-T100 VanDerWaalsContact O-N 3.1Å
101D93.9Very high93.4Very high109 Ų109101.9 Ų101.958%0.58349%0.486SS*.SBendtrans-97.5-4.7179.456-14.5000113.3D99 D103D99-D101 VanDerWaalsContact C-N 3.34Å; D101-D103 PolarHBondContact O-N 3.35Å
102Q90.6Very high93.5Very high173 Ų173102 Ų10281%0.80849%0.485SS*.  trans60.731.8174.7-56-174.3-18.700113.1D99 G104D99-Q102 WeakPolarHBondContact OD1-CA 3.34Å; D99-Q102 PolarHBondContact OD1-N 3.17Å; Q102-G104 VanDerWaalsContact C-N 3.34Å
103D93.7Very high93.6Very high88 Ų88106.9 Ų106.947%0.47150%0.501SS..SBendtrans-88.5-8.518083.1-16.6000112.3D99 D101 W105D99-D103 PolarHBondContact OD1-N 3.13Å; D99-D103 VanDerWaalsContact OD1-N 3.13Å; D101-D103 PolarHBondContact O-N 3.35Å; D103-W105 WeakPolarHBondContact OD1-CA 3.5Å; D103-W105 WeakPolarHBondContact OD1-CB 3.48Å; D103-W105 PolarHBondContact OD1-N 2.95Å; D103-W105 VanDerWaalsContact OD1-O 3.08Å
104G92Very high93.7Very high43 Ų43106.3 Ų106.344%0.44350%0.498SS..SBendtrans84.611.6-178.800000114.1F95 D99 Q102F95-G104 WeakPolarHBondContact CZ-O 3.17Å; D99-G104 PolarHBondContact OD2-N 3.33Å; Q102-G104 VanDerWaalsContact C-N 3.34Å
105W93.8Very high93.7Very high201 Ų201108.3 Ų108.376%0.76151%0.514SS*.  trans-126.9145.1176.5-61.691.7000110.3D103D103-W105 WeakPolarHBondContact OD1-CA 3.5Å; D103-W105 WeakPolarHBondContact OD1-CB 3.48Å; D103-W105 PolarHBondContact OD1-N 2.95Å; D103-W105 VanDerWaalsContact OD1-O 3.08Å
106I94.9Very high93.5Very high51 Ų51105.7 Ų105.726%0.26250%0.503SS..  trans-131.2140.2175.263.9179.3000110F95 D99 V108 M116F95-I106 HydrophobicContact CD2-CD1 3.76Å; F95-I106 HydrophobicContact CD2-CG1 4.36Å; F95-I106 HydrophobicContact CD2-CG2 4.32Å; F95-I106 HydrophobicContact CE1-CG2 4.27Å; F95-I106 HydrophobicContact CE2-CB 4.42Å; F95-I106 HydrophobicContact CE2-CD1 3.77Å; F95-I106 HydrophobicContact CE2-CG1 3.85Å; F95-I106 HydrophobicContact CE2-CG2 3.82Å; F95-I106 HydrophobicContact CZ-CG2 3.78Å; D99-I106 HydrophobicContact CB-CG2 3.65Å; I106-V108 HydrophobicContact CB-CG1 4.11Å; I106-V108 HydrophobicContact CD1-CG1 3.77Å; I106-V108 HydrophobicContact CG1-CG1 3.91Å; I106-M116 HydrophobicContact CD1-CE 4.32Å; I106-M116 HydrophobicContact CD1-SD 4.14Å
107Q94.8Very high93.4Very high198 Ų198100.5 Ų100.593%0.92549%0.489SS*.  trans-104.4115.3167.5-175.3176.4-1200109
108V94.6Very high93.2Very high47 Ų4798.3 Ų98.329%0.28549%0.485SS..  trans-132.2146.4-174-60.10000110.4Y98 I106 Q112 M116Y98-V108 HydrophobicContact CD1-CG1 4.29Å; I106-V108 HydrophobicContact CB-CG1 4.11Å; I106-V108 HydrophobicContact CD1-CG1 3.77Å; I106-V108 HydrophobicContact CG1-CG1 3.91Å; V108-Q112 HydrophobicContact CB-CB 4.11Å; V108-M116 HydrophobicContact CB-CE 3.92Å; V108-M116 HydrophobicContact CG1-CE 3.31Å; V108-M116 HydrophobicContact CG2-CE 4.36Å
109S96.6Very high92.8Very high58 Ų5897.7 Ų97.741%0.40649%0.494SS..  trans-70.4162.9169.880.70000110.7E111 Q112 Y113S109-E111 VanDerWaalsContact C-N 3.29Å; S109-E111 PolarHBondContact O-N 3.48Å; S109-Q112 PolarHBondContact O-N 3.45Å; S109-Q112 WeakPolarHBondContact OG-CG 3.42Å; S109-Q112 PolarHBondContact OG-N 3.5Å; S109-Y113 PolarHBondContact O-N 2.89Å
110Y95.8Very high91.9Very high175 Ų17598.7 Ų98.769%0.68650%0.499SS*.Hα-helixtrans-58.1-40.5176.8179.5-112.3000112.7Y113 L114Y110-Y113 WeakPolarHBondContact O-CB 3.42Å; Y110-Y113 PolarHBondContact O-N 3.24Å; Y110-L114 HydrophobicContact CD1-CD1 4.13Å; Y110-L114 HydrophobicContact CE1-CD1 3.53Å; Y110-L114 HydrophobicContact CE1-CG 4.13Å; Y110-L114 HydrophobicContact CE2-CD2 4.31Å; Y110-L114 HydrophobicContact CE2-CG 4.31Å; Y110-L114 WeakPolarHBondContact O-CG 3.34Å; Y110-L114 PolarHBondContact O-N 3.23Å
111E96.3Very high90.2Very high146 Ų146100.9 Ų100.968%0.68251%0.512SS*.Hα-helixtrans-68-37.4178.2-174.2177.8-163.400112.4S109 L114 S115S109-E111 VanDerWaalsContact C-N 3.29Å; S109-E111 PolarHBondContact O-N 3.48Å; E111-L114 PolarHBondContact O-N 3.07Å; E111-S115 WeakPolarHBondContact O-CB 3.35Å; E111-S115 PolarHBondContact O-N 2.95Å; E111-S115 PolarHBondContact O-OG 3.42Å
112Q93.8Very high90Very high80 Ų80100.5 Ų100.537%0.37451%0.508SS..Hα-helixtrans-64-43.2173.6-72.9171.9-26.200110.9V108 S109 S115 M116V108-Q112 HydrophobicContact CB-CB 4.11Å; S109-Q112 PolarHBondContact O-N 3.45Å; S109-Q112 WeakPolarHBondContact OG-CG 3.42Å; S109-Q112 PolarHBondContact OG-N 3.5Å; Q112-S115 PolarHBondContact O-N 2.78Å; Q112-M116 HydrophobicContact CB-CE 4.21Å; Q112-M116 VanDerWaalsContact O-CG 3.3Å; Q112-M116 WeakPolarHBondContact O-CG 3.43Å; Q112-M116 PolarHBondContact O-N 2.98Å
113Y93.3Very high90Very high125 Ų12596.7 Ų96.749%0.4949%0.493SS..Hα-helixtrans-58.1-48.7173.8168.8-101.4000112S109 Y110 S115 M116 V117S109-Y113 PolarHBondContact O-N 2.89Å; Y110-Y113 WeakPolarHBondContact O-CB 3.42Å; Y110-Y113 PolarHBondContact O-N 3.24Å; Y113-S115 VanDerWaalsContact C-N 3.31Å; Y113-S115 PolarHBondContact O-N 2.75Å; Y113-M116 WeakPolarHBondContact O-CB 3.43Å; Y113-M116 PolarHBondContact O-N 3.18Å; Y113-V117 HydrophobicContact CD2-CG2 4.32Å; Y113-V117 HydrophobicContact CE1-CG2 4.2Å; Y113-V117 HydrophobicContact CE2-CG2 3.8Å; Y113-V117 WeakPolarHBondContact O-CG2 3.46Å; Y113-V117 PolarHBondContact O-N 2.72Å
114L94Very high89.8Confident55 Ų5597.2 Ų97.229%0.28849%0.494SS..Hα-helixtrans-59.2-43.6176.5-69.1-176.9000111.6Y110 E111 M116 V117 F118Y110-L114 HydrophobicContact CD1-CD1 4.13Å; Y110-L114 HydrophobicContact CE1-CD1 3.53Å; Y110-L114 HydrophobicContact CE1-CG 4.13Å; Y110-L114 HydrophobicContact CE2-CD2 4.31Å; Y110-L114 HydrophobicContact CE2-CG 4.31Å; Y110-L114 WeakPolarHBondContact O-CG 3.34Å; Y110-L114 PolarHBondContact O-N 3.23Å; E111-L114 PolarHBondContact O-N 3.07Å; L114-M116 VanDerWaalsContact C-N 3.33Å; L114-M116 PolarHBondContact O-N 2.92Å; L114-V117 PolarHBondContact O-N 2.84Å; L114-F118 HydrophobicContact CB-CD2 4.29Å; L114-F118 HydrophobicContact CB-CE2 4.28Å; L114-F118 WeakPolarHBondContact O-CB 3.34Å; L114-F118 WeakPolarHBondContact O-CD2 3.26Å; L114-F118 PolarHBondContact O-N 2.91Å
115S91.6Very high89.7Confident64 Ų64100.4 Ų100.445%0.44850%0.497SS..Hα-helixtrans-61.3-40.3177.6-62.10000112.3E111 Q112 Y113 S119E111-S115 WeakPolarHBondContact O-CB 3.35Å; E111-S115 PolarHBondContact O-N 2.95Å; E111-S115 PolarHBondContact O-OG 3.42Å; Q112-S115 PolarHBondContact O-N 2.78Å; Y113-S115 VanDerWaalsContact C-N 3.31Å; Y113-S115 PolarHBondContact O-N 2.75Å; S115-S119 WeakPolarHBondContact O-CB 3.46Å; S115-S119 PolarHBondContact O-N 2.92Å; S115-S119 PolarHBondContact O-OG 2.8Å
116M90.6Very high89.4Confident17 Ų1794.1 Ų94.18%0.08448%0.48CS..Hα-helixtrans-60.7-49.4174.8-69.5177.6-15000111.2I94 Y98 I106 V108 Q112 Y113 L114 S119 I120I94-M116 HydrophobicContact CG2-CB 3.81Å; I94-M116 HydrophobicContact CG2-CG 3.63Å; I94-M116 HydrophobicContact CG2-SD 4.31Å; Y98-M116 HydrophobicContact CD1-CE 3.44Å; Y98-M116 VanDerWaalsContact CD1-CE 3.44Å; Y98-M116 HydrophobicContact CD2-CE 3.29Å; Y98-M116 HydrophobicContact CD2-CG 4.21Å; Y98-M116 HydrophobicContact CD2-SD 3.84Å; Y98-M116 HydrophobicContact CE1-CE 3.48Å; Y98-M116 VanDerWaalsContact CE1-CE 3.48Å; Y98-M116 HydrophobicContact CE2-CE 3.36Å; Y98-M116 HydrophobicContact CE2-CG 3.68Å; Y98-M116 HydrophobicContact CE2-SD 3.93Å; Y98-M116 HydrophobicContact CG-CE 3.35Å; Y98-M116 HydrophobicContact CG-SD 4.37Å; Y98-M116 VanDerWaalsContact CZ-CE 3.45Å; I106-M116 HydrophobicContact CD1-CE 4.32Å; I106-M116 HydrophobicContact CD1-SD 4.14Å; V108-M116 HydrophobicContact CB-CE 3.92Å; V108-M116 HydrophobicContact CG1-CE 3.31Å; V108-M116 HydrophobicContact CG2-CE 4.36Å; Q112-M116 HydrophobicContact CB-CE 4.21Å; Q112-M116 VanDerWaalsContact O-CG 3.3Å; Q112-M116 WeakPolarHBondContact O-CG 3.43Å; Q112-M116 PolarHBondContact O-N 2.98Å; Y113-M116 WeakPolarHBondContact O-CB 3.43Å; Y113-M116 PolarHBondContact O-N 3.18Å; L114-M116 VanDerWaalsContact C-N 3.33Å; L114-M116 PolarHBondContact O-N 2.92Å; M116-S119 PolarHBondContact O-N 3.45Å; M116-S119 PolarHBondContact O-OG 3.15Å; M116-I120 WeakPolarHBondContact O-CD1 3.29Å
117V89Confident89.1Confident58 Ų5896.9 Ų96.935%0.35250%0.495SS..Hα-helixtrans-63.3-45.9-178.7175.40000111.3Y113 L114 S119 I120Y113-V117 HydrophobicContact CD2-CG2 4.32Å; Y113-V117 HydrophobicContact CE1-CG2 4.2Å; Y113-V117 HydrophobicContact CE2-CG2 3.8Å; Y113-V117 WeakPolarHBondContact O-CG2 3.46Å; Y113-V117 PolarHBondContact O-N 2.72Å; L114-V117 PolarHBondContact O-N 2.84Å; V117-S119 VanDerWaalsContact C-N 3.3Å; V117-S119 PolarHBondContact O-N 2.73Å; V117-I120 PolarHBondContact O-N 2.73Å
118F88.9Confident88.6Confident146 Ų14689.7 Ų89.764%0.6446%0.464SS*.Hα-helixtrans-68.7-26.1179.9-75.9-56.9000113.6L114 I120 V121L114-F118 HydrophobicContact CB-CD2 4.29Å; L114-F118 HydrophobicContact CB-CE2 4.28Å; L114-F118 WeakPolarHBondContact O-CB 3.34Å; L114-F118 WeakPolarHBondContact O-CD2 3.26Å; L114-F118 PolarHBondContact O-N 2.91Å; F118-I120 PolarHBondContact O-N 3.45Å; F118-V121 PolarHBondContact O-N 3.09Å
119S82.9Confident88.2Confident76 Ų7693 Ų9353%0.53148%0.478SS..THydrogen-bonded Turntrans-70.3-12.517772.50000114.3I94 S115 M116 V117I94-S119 VanDerWaalsContact CD1-OG 3.23Å; I94-S119 WeakPolarHBondContact CD1-OG 3.34Å; S115-S119 WeakPolarHBondContact O-CB 3.46Å; S115-S119 PolarHBondContact O-N 2.92Å; S115-S119 PolarHBondContact O-OG 2.8Å; M116-S119 PolarHBondContact O-N 3.45Å; M116-S119 PolarHBondContact O-OG 3.15Å; V117-S119 VanDerWaalsContact C-N 3.3Å; V117-S119 PolarHBondContact O-N 2.73Å
120I76.2Confident87.5Confident38 Ų3895.9 Ų95.920%0.19548%0.484CS..THydrogen-bonded Turntrans-92.9-31.7-179-63.6156.4000111.7L91 I94 M116 V117 F118L91-I120 HydrophobicContact CD2-CD1 3.34Å; L91-I120 HydrophobicContact CG-CD1 4.06Å; I94-I120 HydrophobicContact CD1-CD1 3.75Å; I94-I120 HydrophobicContact CD1-CG1 3.21Å; M116-I120 WeakPolarHBondContact O-CD1 3.29Å; V117-I120 PolarHBondContact O-N 2.73Å; F118-I120 PolarHBondContact O-N 3.45Å
121V57.5Low86.7Confident171 Ų17188.7 Ų88.7100%1.03647%0.465SS*.  trans-83.40-173.6-178.30000111.3F118F118-V121 PolarHBondContact O-N 3.09Å

Retrieved 121 of 121 residues in 26.4 ms (Link to these results)

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