A0A087WWD5_HUMAN Loading...

Tafazzin family protein

Acyltransferase which is required to remodel newly synthesized phospholipid cardiolipin, a key component of the mitochondrial inner membrane. Required for the initiation of mitophagy. Required to ensure progression of spermatocytes through meiosis.

AlphaFold DB , UniProt , Accession A0A087WWD5, Species HUMAN (Homo sapiens, Human), Gene TAFAZZIN, Length 95 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M58.1Low80.9Confident230 Ų230149.2 Ų149.2100%1.13379%0.787SS**  0127.10-62.1176.9-173.600107.4L3M1-L3 PolarHBondContact O-N 3.36Å
2P73.2Confident80.9Confident124 Ų124146.3 Ų146.381%0.80578%0.78SS**  trans-67.8125.517427.5-30.3000108.8H4P2-H4 PolarHBondContact O-N 3.41Å
3L78.7Confident81.2Confident158 Ų158139.5 Ų139.583%0.82775%0.749SS**  trans-66.5126.1173.1-75.6158.9000108.4M1 V5M1-L3 PolarHBondContact O-N 3.36Å; L3-V5 HydrophobicContact CB-CG2 3.87Å; L3-V5 PolarHBondContact O-N 3.04Å
4H82.3Confident81.8Confident204 Ų204134.9 Ų134.994%0.94473%0.73SS**  trans-72.177.5171-98.7-84.8000109.6P2P2-H4 PolarHBondContact O-N 3.41Å
5V86.8Confident82.4Confident121 Ų121134.5 Ų134.573%0.73373%0.726SS**  trans-87.1114.5175.3-174.60000108.4L3L3-V5 HydrophobicContact CB-CG2 3.87Å; L3-V5 PolarHBondContact O-N 3.04Å
6K85.6Confident83Confident187 Ų187132.9 Ų132.981%0.81372%0.723SS**  trans-79.3130171.1-172.2177.3179.5-179.20108.8P8K6-P8 WeakPolarHBondContact O-CD 3.42Å
7W88.4Confident83.4Confident183 Ų183134.9 Ų134.969%0.69372%0.717SS**  trans-60.3120.3176.3-173.8-114.1000110.1F9W7-F9 VanDerWaalsContact C-N 3.33Å; W7-F9 HydrophobicContact CH2-CD2 4.46Å; W7-F9 HydrophobicContact CZ2-CB 4.45Å; W7-F9 AromaticContact CZ2-CD2 3.96Å; W7-F9 HydrophobicContact CZ2-CD2 3.96Å; W7-F9 PolarHBondContact NE1-O 2.69Å; W7-F9 PolarHBondContact O-N 2.86Å
8P86.5Confident83.7Confident100 Ų100130.1 Ų130.165%0.64969%0.694SS**  trans-80.2-13.9-171.430.5-34.5000113.4K6K6-P8 WeakPolarHBondContact O-CD 3.42Å
9F84.1Confident84.2Confident139 Ų139128.6 Ų128.661%0.6169%0.686SS**SBendtrans-99.7154.6-177.1-61.3-68.8000112W7W7-F9 VanDerWaalsContact C-N 3.33Å; W7-F9 HydrophobicContact CH2-CD2 4.46Å; W7-F9 HydrophobicContact CZ2-CB 4.45Å; W7-F9 AromaticContact CZ2-CD2 3.96Å; W7-F9 HydrophobicContact CZ2-CD2 3.96Å; W7-F9 PolarHBondContact NE1-O 2.69Å; W7-F9 PolarHBondContact O-N 2.86Å
10P83.1Confident84.6Confident91 Ų91124.9 Ų124.959%0.59167%0.674SS**  trans-62.4144.517427.3-35000110.6V12P10-V12 PolarHBondContact O-N 3.41Å
11A82.8Confident84.9Confident104 Ų104120.3 Ų120.386%0.8665%0.651SS**SBendtrans-63.3-29.5177.100000112.4
12V81.5Confident86.4Confident115 Ų115111.1 Ų111.170%0.69761%0.609SS**SBendtrans-133.8129.6176.6-174.10000108.8P10P10-V12 PolarHBondContact O-N 3.41Å
13P84.1Confident87.4Confident58 Ų58108.9 Ų108.938%0.37759%0.593SS.*  trans-67.1149.4177.826.2-33.1000111.7W17P13-W17 HydrophobicContact CB-CG 4.42Å
14P90Very high88.1Confident75 Ų75105.3 Ų105.349%0.48758%0.578SS.*  trans-56.3153.1171.8-2433.8000112.6T16 W17 T18P14-T16 VanDerWaalsContact C-N 3.32Å; P14-T16 PolarHBondContact O-N 2.95Å; P14-W17 HydrophobicContact CB-CB 4.36Å; P14-W17 WeakPolarHBondContact O-CB 3.28Å; P14-W17 PolarHBondContact O-N 3.49Å; P14-T18 PolarHBondContact O-N 3.32Å; P14-T18 PolarHBondContact O-OG1 2.87Å; P14-T18 VanDerWaalsContact O-OG1 3.04Å
15L90.5Very high88.6Confident129 Ų12997.8 Ų97.868%0.67554%0.544SS*.Hα-helixtrans-60.3-42.7178-179.864000111.8W17 T18 L19L15-W17 VanDerWaalsContact C-N 3.33Å; L15-W17 PolarHBondContact O-N 3.32Å; L15-T18 PolarHBondContact O-N 3.07Å; L15-T18 VanDerWaalsContact O-N 3.16Å; L15-L19 HydrophobicContact CD1-CD1 4.33Å; L15-L19 HydrophobicContact CD1-CG 4.31Å; L15-L19 HydrophobicContact CG-CD1 4.01Å; L15-L19 HydrophobicContact CG-CG 4.41Å; L15-L19 WeakPolarHBondContact O-CG 3.45Å; L15-L19 PolarHBondContact O-N 3.14Å
16T93.1Very high88.9Confident109 Ų10992 Ų9267%0.66951%0.509SS*.Hα-helixtrans-59.7-42.9178.650.20000111.9P14 L19 A20P14-T16 VanDerWaalsContact C-N 3.32Å; P14-T16 PolarHBondContact O-N 2.95Å; T16-L19 PolarHBondContact O-N 3.47Å; T16-A20 WeakPolarHBondContact O-CB 3.49Å; T16-A20 PolarHBondContact O-N 3Å
17W89.5Confident89.3Confident166 Ų16688.2 Ų88.263%0.62950%0.497SS*.Hα-helixtrans-61-49.3173.2177.3-94.4000111.1P13 P14 L15 L19 A20 S21P13-W17 HydrophobicContact CB-CG 4.42Å; P14-W17 HydrophobicContact CB-CB 4.36Å; P14-W17 WeakPolarHBondContact O-CB 3.28Å; P14-W17 PolarHBondContact O-N 3.49Å; L15-W17 VanDerWaalsContact C-N 3.33Å; L15-W17 PolarHBondContact O-N 3.32Å; W17-L19 VanDerWaalsContact C-N 3.29Å; W17-L19 PolarHBondContact O-N 2.85Å; W17-A20 PolarHBondContact O-N 3.2Å; W17-S21 PolarHBondContact NE1-OG 3.03Å; W17-S21 WeakPolarHBondContact O-CB 2.8Å; W17-S21 PolarHBondContact O-N 3.42Å; W17-S21 PolarHBondContact O-OG 3Å
18T88.7Confident89.6Confident49 Ų4982.7 Ų82.730%0.30148%0.483SS..Hα-helixtrans-59-41.6-179.5-55.60000111.8P14 L15 S22 L90P14-T18 PolarHBondContact O-N 3.32Å; P14-T18 PolarHBondContact O-OG1 2.87Å; P14-T18 VanDerWaalsContact O-OG1 3.04Å; L15-T18 PolarHBondContact O-N 3.07Å; L15-T18 VanDerWaalsContact O-N 3.16Å; T18-S22 WeakPolarHBondContact O-CB 3.37Å; T18-S22 PolarHBondContact O-N 2.86Å; T18-S22 PolarHBondContact O-OG 3.25Å; T18-L90 HydrophobicContact CG2-CD1 4.26Å
19L92Very high89.9Confident102 Ų10277.9 Ų77.953%0.53445%0.452SS..Hα-helixtrans-67-49.8176.8-71.9170.6000111.8L15 T16 W17 S21 S22 V23L15-L19 HydrophobicContact CD1-CD1 4.33Å; L15-L19 HydrophobicContact CD1-CG 4.31Å; L15-L19 HydrophobicContact CG-CD1 4.01Å; L15-L19 HydrophobicContact CG-CG 4.41Å; L15-L19 WeakPolarHBondContact O-CG 3.45Å; L15-L19 PolarHBondContact O-N 3.14Å; T16-L19 PolarHBondContact O-N 3.47Å; W17-L19 VanDerWaalsContact C-N 3.29Å; W17-L19 PolarHBondContact O-N 2.85Å; L19-S21 VanDerWaalsContact C-N 3.34Å; L19-S21 PolarHBondContact O-N 2.92Å; L19-S22 WeakPolarHBondContact O-CB 3.28Å; L19-S22 PolarHBondContact O-N 2.67Å; L19-S22 VanDerWaalsContact O-N 3.11Å; L19-V23 WeakPolarHBondContact O-CG2 3.23Å; L19-V23 PolarHBondContact O-N 3.33Å
20A93.1Very high90.4Very high54 Ų5473.7 Ų73.745%0.44644%0.438SS..Hα-helixtrans-58.3-46.6177.900000111.3T16 W17 S22 V23 V24T16-A20 WeakPolarHBondContact O-CB 3.49Å; T16-A20 PolarHBondContact O-N 3Å; W17-A20 PolarHBondContact O-N 3.2Å; A20-S22 VanDerWaalsContact C-N 3.33Å; A20-S22 PolarHBondContact O-N 3.39Å; A20-V23 PolarHBondContact O-N 3.34Å; A20-V24 WeakPolarHBondContact O-CG2 3.43Å; A20-V24 PolarHBondContact O-N 2.98Å
21S89.9Confident91Very high28 Ų2875.7 Ų75.720%0.19643%0.434CS..Hα-helixtrans-60.3-41.8174.6-59.90000111.7W17 L19 V23 V24 M25W17-S21 PolarHBondContact NE1-OG 3.03Å; W17-S21 WeakPolarHBondContact O-CB 2.8Å; W17-S21 PolarHBondContact O-N 3.42Å; W17-S21 PolarHBondContact O-OG 3Å; L19-S21 VanDerWaalsContact C-N 3.34Å; L19-S21 PolarHBondContact O-N 2.92Å; S21-V23 VanDerWaalsContact C-N 3.31Å; S21-V23 PolarHBondContact O-N 3.14Å; S21-V24 PolarHBondContact O-N 2.85Å; S21-M25 VanDerWaalsContact O-CB 3.29Å; S21-M25 WeakPolarHBondContact O-CB 2.96Å; S21-M25 WeakPolarHBondContact O-CG 3.39Å; S21-M25 PolarHBondContact O-N 3.06Å
22S90.5Very high91.5Very high37 Ų3770.8 Ų70.826%0.25939%0.394SS..Hα-helixtrans-59.4-44.4179.1-60.60000111.3T18 L19 A20 G26 L90T18-S22 WeakPolarHBondContact O-CB 3.37Å; T18-S22 PolarHBondContact O-N 2.86Å; T18-S22 PolarHBondContact O-OG 3.25Å; L19-S22 WeakPolarHBondContact O-CB 3.28Å; L19-S22 PolarHBondContact O-N 2.67Å; L19-S22 VanDerWaalsContact O-N 3.11Å; A20-S22 VanDerWaalsContact C-N 3.33Å; A20-S22 PolarHBondContact O-N 3.39Å; S22-G26 PolarHBondContact O-N 2.87Å; S22-L90 WeakPolarHBondContact OG-CD1 3.31Å; S22-L90 WeakPolarHBondContact OG-CG 3.44Å
23V94.5Very high92.1Very high77 Ų7766.7 Ų66.747%0.46737%0.37SS..Hα-helixtrans-66.9-49.7179.3173.50000110.9L19 A20 S21 M25 G26 L27L19-V23 WeakPolarHBondContact O-CG2 3.23Å; L19-V23 PolarHBondContact O-N 3.33Å; A20-V23 PolarHBondContact O-N 3.34Å; S21-V23 VanDerWaalsContact C-N 3.31Å; S21-V23 PolarHBondContact O-N 3.14Å; V23-M25 PolarHBondContact O-N 2.86Å; V23-G26 PolarHBondContact O-N 3.4Å; V23-L27 HydrophobicContact CG1-CD1 3.83Å; V23-L27 HydrophobicContact CG1-CG 4.33Å; V23-L27 WeakPolarHBondContact O-CB 3.41Å; V23-L27 VanDerWaalsContact O-CG 3.28Å; V23-L27 WeakPolarHBondContact O-CG 3.31Å; V23-L27 PolarHBondContact O-N 3.11Å
24V93.8Very high92.6Very high83 Ų8369 Ų6950%0.50337%0.374SS..Hα-helixtrans-60.2-49.8-179.6171.90000110.8A20 S21 G26 L27 V28A20-V24 WeakPolarHBondContact O-CG2 3.43Å; A20-V24 PolarHBondContact O-N 2.98Å; S21-V24 PolarHBondContact O-N 2.85Å; V24-G26 VanDerWaalsContact C-N 3.34Å; V24-G26 PolarHBondContact O-N 3.26Å; V24-L27 PolarHBondContact O-N 2.93Å; V24-V28 HydrophobicContact CG1-CG2 4.33Å; V24-V28 VanDerWaalsContact O-CG2 3.31Å; V24-V28 WeakPolarHBondContact O-CG2 3.42Å; V24-V28 PolarHBondContact O-N 3.42Å
25M91.6Very high92.8Very high47 Ų4768.7 Ų68.723%0.23236%0.363CS..Hα-helixtrans-62.8-41.7179.8-64.4-57.8-67.700111.6S21 V23 G29 W79 L90 M93S21-M25 VanDerWaalsContact O-CB 3.29Å; S21-M25 WeakPolarHBondContact O-CB 2.96Å; S21-M25 WeakPolarHBondContact O-CG 3.39Å; S21-M25 PolarHBondContact O-N 3.06Å; V23-M25 PolarHBondContact O-N 2.86Å; M25-G29 PolarHBondContact O-N 3.33Å; M25-W79 HydrophobicContact CE-CH2 3.33Å; M25-W79 HydrophobicContact CE-CZ2 3.57Å; M25-W79 HydrophobicContact CE-CZ3 4.19Å; M25-W79 HydrophobicContact SD-CH2 4.05Å; M25-L90 HydrophobicContact CB-CD2 3.91Å; M25-L90 HydrophobicContact CG-CD2 3.84Å; M25-M93 HydrophobicContact CB-CE 3.83Å; M25-M93 HydrophobicContact CE-CE 3.96Å; M25-M93 HydrophobicContact CE-CG 4.47Å; M25-M93 VanDerWaalsContact O-CE 3.25Å; M25-M93 WeakPolarHBondContact O-CE 3.41Å
26G93Very high92.9Very high0 Ų062.9 Ų62.90%033%0.333CS..Hα-helixtrans-61.2-45.5176.700000112.9S22 V23 V24 T30S22-G26 PolarHBondContact O-N 2.87Å; V23-G26 PolarHBondContact O-N 3.4Å; V24-G26 VanDerWaalsContact C-N 3.34Å; V24-G26 PolarHBondContact O-N 3.26Å; G26-T30 VanDerWaalsContact O-CB 3.28Å; G26-T30 WeakPolarHBondContact O-CB 3.41Å; G26-T30 PolarHBondContact O-N 3.03Å; G26-T30 PolarHBondContact O-OG1 3.27Å
27L95.2Very high92.8Very high106 Ų10664.3 Ų64.356%0.55533%0.33SS*.Hα-helixtrans-66.6-49.2179.2-71.2175.4000111.9V23 V24 T30 Y31 W88V23-L27 HydrophobicContact CG1-CD1 3.83Å; V23-L27 HydrophobicContact CG1-CG 4.33Å; V23-L27 WeakPolarHBondContact O-CB 3.41Å; V23-L27 VanDerWaalsContact O-CG 3.28Å; V23-L27 WeakPolarHBondContact O-CG 3.31Å; V23-L27 PolarHBondContact O-N 3.11Å; V24-L27 PolarHBondContact O-N 2.93Å; L27-T30 PolarHBondContact O-N 2.77Å; L27-Y31 PolarHBondContact O-N 3.34Å; L27-W88 HydrophobicContact CD2-CH2 4.49Å
28V93.8Very high92.9Very high67 Ų6763.6 Ų63.641%0.40633%0.328SS..Hα-helixtrans-65.1-43.9-178.8-179.90000110.5V24 T30 Y31 S32 W79V24-V28 HydrophobicContact CG1-CG2 4.33Å; V24-V28 VanDerWaalsContact O-CG2 3.31Å; V24-V28 WeakPolarHBondContact O-CG2 3.42Å; V24-V28 PolarHBondContact O-N 3.42Å; V28-T30 VanDerWaalsContact C-N 3.34Å; V28-T30 PolarHBondContact O-N 3.42Å; V28-Y31 WeakPolarHBondContact O-CB 3.3Å; V28-Y31 PolarHBondContact O-N 3.02Å; V28-S32 PolarHBondContact O-N 2.66Å; V28-S32 PolarHBondContact O-OG 3.32Å; V28-W79 HydrophobicContact CB-CE3 4.48Å; V28-W79 HydrophobicContact CB-CZ3 3.79Å; V28-W79 HydrophobicContact CG1-CE3 3.98Å; V28-W79 HydrophobicContact CG1-CH2 4.38Å; V28-W79 HydrophobicContact CG1-CZ3 3.41Å; V28-W79 VanDerWaalsContact CG1-CZ3 3.41Å
29G93.6Very high93.2Very high0 Ų066.3 Ų66.30%034%0.339CS..Hα-helixtrans-64.1-36.6175.400000113.5M25 Y31 S32 C33M25-G29 PolarHBondContact O-N 3.33Å; G29-Y31 VanDerWaalsContact C-N 3.35Å; G29-S32 WeakPolarHBondContact O-CB 3.31Å; G29-S32 PolarHBondContact O-N 2.8Å; G29-C33 PolarHBondContact O-N 3.27Å
30T94.8Very high93.2Very high50 Ų5064.6 Ų64.631%0.30733%0.33SS..Hα-helixtrans-65.1-41.3174.5-580000111.1G26 L27 V28 C33 F34 L84 W88G26-T30 VanDerWaalsContact O-CB 3.28Å; G26-T30 WeakPolarHBondContact O-CB 3.41Å; G26-T30 PolarHBondContact O-N 3.03Å; G26-T30 PolarHBondContact O-OG1 3.27Å; L27-T30 PolarHBondContact O-N 2.77Å; V28-T30 VanDerWaalsContact C-N 3.34Å; V28-T30 PolarHBondContact O-N 3.42Å; T30-C33 PolarHBondContact O-N 3.24Å; T30-F34 PolarHBondContact O-N 2.82Å; T30-L84 HydrophobicContact CG2-CD2 4.28Å; T30-W88 PolarHBondContact OG1-NE1 3.31Å; T30-W88 VanDerWaalsContact OG1-NE1 3.09Å
31Y95Very high93.2Very high134 Ų13470.3 Ų70.353%0.52535%0.348SS..Hα-helixtrans-60.2-45.7172.8171.9-97.5000111.6L27 V28 G29 C33 F34 W35L27-Y31 PolarHBondContact O-N 3.34Å; V28-Y31 WeakPolarHBondContact O-CB 3.3Å; V28-Y31 PolarHBondContact O-N 3.02Å; G29-Y31 VanDerWaalsContact C-N 3.35Å; Y31-C33 VanDerWaalsContact C-N 3.33Å; Y31-C33 PolarHBondContact O-N 3.3Å; Y31-F34 WeakPolarHBondContact O-CB 3.37Å; Y31-F34 PolarHBondContact O-N 2.82Å; Y31-F34 VanDerWaalsContact O-N 3.16Å; Y31-W35 WeakPolarHBondContact O-CB 3.22Å; Y31-W35 PolarHBondContact O-N 3.46Å
32S94.3Very high93.3Very high1 Ų172.1 Ų72.11%0.00735%0.354CS..Hα-helixtrans-56.5-46.1175.7-59.50000112.1V28 G29 F34 W35 T36 P76V28-S32 PolarHBondContact O-N 2.66Å; V28-S32 PolarHBondContact O-OG 3.32Å; G29-S32 WeakPolarHBondContact O-CB 3.31Å; G29-S32 PolarHBondContact O-N 2.8Å; S32-F34 VanDerWaalsContact C-N 3.34Å; S32-F34 PolarHBondContact O-N 3.23Å; S32-W35 PolarHBondContact O-N 3.46Å; S32-T36 WeakPolarHBondContact O-CG2 3.44Å; S32-T36 PolarHBondContact O-N 3.35Å; S32-T36 PolarHBondContact O-OG1 3.28Å; S32-P76 WeakPolarHBondContact CB-O 3.49Å
33C93.4Very high93.5Very high28 Ų2874.6 Ų74.619%0.18937%0.368CS..Hα-helixtrans-61.3-40.8176.4-176.80000112.6G29 T30 Y31 T36 K37 I87G29-C33 PolarHBondContact O-N 3.27Å; T30-C33 PolarHBondContact O-N 3.24Å; Y31-C33 VanDerWaalsContact C-N 3.33Å; Y31-C33 PolarHBondContact O-N 3.3Å; C33-T36 PolarHBondContact O-OG1 3.04Å; C33-K37 WeakPolarHBondContact O-CB 3.02Å; C33-K37 PolarHBondContact O-N 2.85Å; C33-I87 HydrophobicContact CB-CD1 4.46Å
34F94.4Very high93.5Very high108 Ų10873.5 Ų73.547%0.47436%0.361SS..Hα-helixtrans-64.2-48.8174.8177.9-96.3000111.5T30 Y31 S32 T36 K37 Y38 M39T30-F34 PolarHBondContact O-N 2.82Å; Y31-F34 WeakPolarHBondContact O-CB 3.37Å; Y31-F34 PolarHBondContact O-N 2.82Å; Y31-F34 VanDerWaalsContact O-N 3.16Å; S32-F34 VanDerWaalsContact C-N 3.34Å; S32-F34 PolarHBondContact O-N 3.23Å; F34-T36 PolarHBondContact O-N 3.17Å; F34-K37 PolarHBondContact O-N 3Å; F34-Y38 AromaticContact CD2-CD2 3.41Å; F34-Y38 HydrophobicContact CD2-CD2 3.41Å; F34-Y38 VanDerWaalsContact CD2-CD2 3.41Å; F34-Y38 AromaticContact CD2-CE2 3.92Å; F34-Y38 HydrophobicContact CD2-CE2 3.92Å; F34-Y38 HydrophobicContact CD2-CG 4.25Å; F34-Y38 AromaticContact CE2-CD2 3.66Å; F34-Y38 HydrophobicContact CE2-CD2 3.66Å; F34-Y38 HydrophobicContact CE2-CE2 4.28Å; F34-Y38 HydrophobicContact CE2-CG 4.08Å; F34-Y38 HydrophobicContact CG-CD2 4.12Å; F34-Y38 WeakPolarHBondContact O-CB 3.45Å; F34-Y38 WeakPolarHBondContact O-CD2 3.38Å; F34-Y38 PolarHBondContact O-N 2.88Å; F34-M39 HydrophobicContact CD1-SD 4.47Å; F34-M39 HydrophobicContact CE1-CG 4.3Å; F34-M39 HydrophobicContact CE1-SD 3.9Å
35W93.8Very high93.6Very high67 Ų6776.7 Ų76.725%0.25437%0.371SS..Hα-helixtrans-60.9-46.1-178.7179.9-99.6000112.6Y31 S32 M39 N40Y31-W35 WeakPolarHBondContact O-CB 3.22Å; Y31-W35 PolarHBondContact O-N 3.46Å; S32-W35 PolarHBondContact O-N 3.46Å; W35-M39 HydrophobicContact CD2-CB 4.07Å; W35-M39 HydrophobicContact CD2-SD 4.41Å; W35-M39 HydrophobicContact CE3-CB 3.8Å; W35-M39 HydrophobicContact CE3-CE 3.86Å; W35-M39 HydrophobicContact CE3-CG 4.1Å; W35-M39 HydrophobicContact CE3-SD 3.32Å; W35-M39 HydrophobicContact CH2-CE 4.05Å; W35-M39 HydrophobicContact CZ3-CB 4.06Å; W35-M39 HydrophobicContact CZ3-CE 3.27Å; W35-M39 HydrophobicContact CZ3-CG 4.38Å; W35-M39 HydrophobicContact CZ3-SD 3.44Å; W35-M39 WeakPolarHBondContact CZ3-SD 3.34Å; W35-M39 CarbonylContact O-C 3.46Å; W35-M39 WeakPolarHBondContact O-CA 3.29Å; W35-M39 WeakPolarHBondContact O-CB 3.39Å; W35-M39 PolarHBondContact O-N 2.91Å; W35-N40 PolarHBondContact NE1-ND2 3.15Å; W35-N40 PolarHBondContact O-N 3.49Å; W35-N40 VanDerWaalsContact O-N 3.15Å; W35-N40 PolarHBondContact O-ND2 3.03Å
36T92.9Very high93.7Very high7 Ų780.6 Ų80.64%0.04339%0.393CS..Hα-helixtrans-70.7-31-179.656.20000112.9S32 C33 F34 N40 L42 G80S32-T36 WeakPolarHBondContact O-CG2 3.44Å; S32-T36 PolarHBondContact O-N 3.35Å; S32-T36 PolarHBondContact O-OG1 3.28Å; C33-T36 PolarHBondContact O-OG1 3.04Å; F34-T36 PolarHBondContact O-N 3.17Å; T36-N40 VanDerWaalsContact O-O 3.11Å; T36-L42 HydrophobicContact CG2-CD2 4.23Å; T36-G80 WeakPolarHBondContact OG1-CA 3.46Å; T36-G80 PolarHBondContact OG1-O 3.09Å
37K90.4Very high93.8Very high140 Ų14086.8 Ų86.861%0.60942%0.416SS*.Hα-helixtrans-86.3-36.2-176.1-172.1174.4-179.6-1730113.6C33 F34C33-K37 WeakPolarHBondContact O-CB 3.02Å; C33-K37 PolarHBondContact O-N 2.85Å; F34-K37 PolarHBondContact O-N 3Å
38Y93Very high93.8Very high150 Ų15086.8 Ų86.859%0.58841%0.413SS*.Hα-helixtrans-112.8-25.5-171.4-63.5-76.1000113.8F34F34-Y38 AromaticContact CD2-CD2 3.41Å; F34-Y38 HydrophobicContact CD2-CD2 3.41Å; F34-Y38 VanDerWaalsContact CD2-CD2 3.41Å; F34-Y38 AromaticContact CD2-CE2 3.92Å; F34-Y38 HydrophobicContact CD2-CE2 3.92Å; F34-Y38 HydrophobicContact CD2-CG 4.25Å; F34-Y38 AromaticContact CE2-CD2 3.66Å; F34-Y38 HydrophobicContact CE2-CD2 3.66Å; F34-Y38 HydrophobicContact CE2-CE2 4.28Å; F34-Y38 HydrophobicContact CE2-CG 4.08Å; F34-Y38 HydrophobicContact CG-CD2 4.12Å; F34-Y38 WeakPolarHBondContact O-CB 3.45Å; F34-Y38 WeakPolarHBondContact O-CD2 3.38Å; F34-Y38 PolarHBondContact O-N 2.88Å
39M94.3Very high93.9Very high106 Ų10687.3 Ų87.352%0.52242%0.416SS..SBendtrans-111.6-4-174.9-56.8-171.468.300113F34 W35F34-M39 HydrophobicContact CD1-SD 4.47Å; F34-M39 HydrophobicContact CE1-CG 4.3Å; F34-M39 HydrophobicContact CE1-SD 3.9Å; W35-M39 HydrophobicContact CD2-CB 4.07Å; W35-M39 HydrophobicContact CD2-SD 4.41Å; W35-M39 HydrophobicContact CE3-CB 3.8Å; W35-M39 HydrophobicContact CE3-CE 3.86Å; W35-M39 HydrophobicContact CE3-CG 4.1Å; W35-M39 HydrophobicContact CE3-SD 3.32Å; W35-M39 HydrophobicContact CH2-CE 4.05Å; W35-M39 HydrophobicContact CZ3-CB 4.06Å; W35-M39 HydrophobicContact CZ3-CE 3.27Å; W35-M39 HydrophobicContact CZ3-CG 4.38Å; W35-M39 HydrophobicContact CZ3-SD 3.44Å; W35-M39 WeakPolarHBondContact CZ3-SD 3.34Å; W35-M39 CarbonylContact O-C 3.46Å; W35-M39 WeakPolarHBondContact O-CA 3.29Å; W35-M39 WeakPolarHBondContact O-CB 3.39Å; W35-M39 PolarHBondContact O-N 2.91Å
40N92.9Very high93.9Very high67 Ų6789.2 Ų89.236%0.35843%0.426SS..SBendtrans-142.4170179.4-67.5-92.3000111.1W35 T36W35-N40 PolarHBondContact NE1-ND2 3.15Å; W35-N40 PolarHBondContact O-N 3.49Å; W35-N40 VanDerWaalsContact O-N 3.15Å; W35-N40 PolarHBondContact O-ND2 3.03Å; T36-N40 VanDerWaalsContact O-O 3.11Å
41H91.9Very high93.9Very high174 Ų17488.2 Ų88.281%0.80642%0.417SS*.  trans-114.3111.6171.8-174.6-85.7000109.5
42L92.1Very high93.9Very high65 Ų6586.3 Ų86.334%0.3441%0.413SS..  trans-115.4123.4-178.9-172.262.3000110.6T36 V44 I81T36-L42 HydrophobicContact CG2-CD2 4.23Å; L42-V44 HydrophobicContact CD2-CG2 4.11Å; L42-V44 HydrophobicContact CG-CG2 3.91Å; L42-I81 HydrophobicContact CD2-CG2 3.35Å; L42-I81 HydrophobicContact CG-CG2 4.35Å
43T94.5Very high93.8Very high90 Ų9090.5 Ų90.555%0.55244%0.435SS*.  trans-100.2121.4173.2-55.50000109.1
44V94.6Very high93.8Very high53 Ų5389.9 Ų89.932%0.32143%0.43SS..  trans-119.6121.8-176.5-167.80000109.1L42 R47 I81L42-V44 HydrophobicContact CD2-CG2 4.11Å; L42-V44 HydrophobicContact CG-CG2 3.91Å; V44-R47 HydrophobicContact CG1-CB 3.8Å; V44-I81 HydrophobicContact CB-CG2 4.47Å; V44-I81 HydrophobicContact CG1-CD1 4.43Å; V44-I81 HydrophobicContact CG1-CG2 4.19Å; V44-I81 HydrophobicContact CG2-CB 4.34Å; V44-I81 HydrophobicContact CG2-CG2 3.41Å; V44-I81 VanDerWaalsContact CG2-CG2 3.41Å
45H95.4Very high93.6Very high150 Ų15088.8 Ų88.869%0.69443%0.426SS*.SBendtrans-95.2142.8175.9-58.7-76.2000110.1R47H45-R47 PolarHBondContact O-N 3.48Å
46N95.4Very high93.6Very high130 Ų13092.9 Ų92.970%0.69545%0.446SS*.SBendtrans5429.1172.4-6276.1000115.7E48 V49N46-E48 PolarHBondContact O-N 3.45Å; N46-E48 VanDerWaalsContact O-N 3.07Å; N46-V49 HydrophobicContact CB-CG2 4.28Å; N46-V49 WeakPolarHBondContact O-CB 3.39Å; N46-V49 PolarHBondContact O-N 2.95Å
47R93.9Very high93.5Very high129 Ų12995.9 Ų95.949%0.48746%0.456SS..Hα-helixtrans-55.2-30.8-178.973.7-176.4-178.3-148.1-4.4114.2V44 H45 V49 L50 Y51V44-R47 HydrophobicContact CG1-CB 3.8Å; H45-R47 PolarHBondContact O-N 3.48Å; R47-V49 VanDerWaalsContact C-N 3.28Å; R47-V49 PolarHBondContact O-N 2.91Å; R47-L50 WeakPolarHBondContact O-CB 3.43Å; R47-L50 PolarHBondContact O-N 3.4Å; R47-Y51 HydrophobicContact CB-CE2 4.42Å; R47-Y51 HydrophobicContact CG-CE2 4.06Å; R47-Y51 PolarHBondContact O-N 2.97Å
48E95.5Very high93.5Very high106 Ų10690.6 Ų90.650%0.49544%0.442SS..Hα-helixtrans-66.6-32.7-178.8-53.5-53.8152.700111.6N46 Y51 E52N46-E48 PolarHBondContact O-N 3.45Å; N46-E48 VanDerWaalsContact O-N 3.07Å; E48-Y51 PolarHBondContact O-N 3Å; E48-Y51 WeakPolarHBondContact OE2-CD2 3.4Å; E48-E52 WeakPolarHBondContact O-CB 3.41Å; E48-E52 PolarHBondContact O-N 3.22Å
49V95.6Very high93.2Very high78 Ų7890.8 Ų90.847%0.47346%0.461SS..Hα-helixtrans-64.1-44.3173.8-179.40000110.1N46 R47 Y51 E52 L53N46-V49 HydrophobicContact CB-CG2 4.28Å; N46-V49 WeakPolarHBondContact O-CB 3.39Å; N46-V49 PolarHBondContact O-N 2.95Å; R47-V49 VanDerWaalsContact C-N 3.28Å; R47-V49 PolarHBondContact O-N 2.91Å; V49-Y51 VanDerWaalsContact C-N 3.35Å; V49-Y51 PolarHBondContact O-N 2.78Å; V49-E52 PolarHBondContact O-N 3.5Å; V49-L53 HydrophobicContact CG1-CD1 4.04Å; V49-L53 HydrophobicContact CG1-CG 4.46Å; V49-L53 WeakPolarHBondContact O-CB 3.38Å; V49-L53 VanDerWaalsContact O-CG 3.28Å; V49-L53 WeakPolarHBondContact O-CG 3.11Å; V49-L53 PolarHBondContact O-N 3.26Å
50L93.5Very high92.9Very high40 Ų4090.4 Ų90.421%0.20948%0.475CS..Hα-helixtrans-60.4-45.5175.7176.563.1000111.1R47 E52 L53 I54 T65 I81 L82R47-L50 WeakPolarHBondContact O-CB 3.43Å; R47-L50 PolarHBondContact O-N 3.4Å; L50-E52 PolarHBondContact O-N 2.84Å; L50-L53 PolarHBondContact O-N 3.08Å; L50-I54 HydrophobicContact CD1-CD1 3.86Å; L50-I54 HydrophobicContact CD1-CG1 4.24Å; L50-I54 HydrophobicContact CG-CD1 3.83Å; L50-I54 WeakPolarHBondContact O-CB 3.39Å; L50-I54 VanDerWaalsContact O-CG1 3.23Å; L50-I54 WeakPolarHBondContact O-CG1 3.39Å; L50-I54 PolarHBondContact O-N 3.15Å; L50-T65 HydrophobicContact CD1-CG2 4.28Å; L50-I81 HydrophobicContact CD2-CD1 3.7Å; L50-L82 HydrophobicContact CD2-CD2 4.31Å
51Y94.3Very high92.8Very high30 Ų3091 Ų9112%0.11848%0.481CS..Hα-helixtrans-63.4-41.6177.7-62.7-21.4000112.4R47 E48 V49 I54 E55 I81 K83 H86R47-Y51 HydrophobicContact CB-CE2 4.42Å; R47-Y51 HydrophobicContact CG-CE2 4.06Å; R47-Y51 PolarHBondContact O-N 2.97Å; E48-Y51 PolarHBondContact O-N 3Å; E48-Y51 WeakPolarHBondContact OE2-CD2 3.4Å; V49-Y51 VanDerWaalsContact C-N 3.35Å; V49-Y51 PolarHBondContact O-N 2.78Å; Y51-I54 PolarHBondContact O-N 3.13Å; Y51-E55 VanDerWaalsContact O-CB 3.29Å; Y51-E55 WeakPolarHBondContact O-CB 3.38Å; Y51-E55 VanDerWaalsContact O-CG 3.22Å; Y51-E55 WeakPolarHBondContact O-CG 3.32Å; Y51-E55 PolarHBondContact O-N 3.42Å; Y51-I81 PolarHBondContact OH-O 2.92Å; Y51-K83 HydrophobicContact CE1-CG 4.28Å; Y51-K83 VanDerWaalsContact CE2-CE 3.5Å; Y51-K83 HydrophobicContact CE2-CG 4.48Å; Y51-H86 AromaticContact CD1-CE1 3.74Å
52E94.9Very high92.7Very high94 Ų9487.9 Ų87.944%0.43948%0.476SS..Hα-helixtrans-61.6-46.8176.9-178.1168-161.400111.8E48 V49 L50 I54 E55 K56E48-E52 WeakPolarHBondContact O-CB 3.41Å; E48-E52 PolarHBondContact O-N 3.22Å; V49-E52 PolarHBondContact O-N 3.5Å; L50-E52 PolarHBondContact O-N 2.84Å; E52-I54 VanDerWaalsContact C-N 3.28Å; E52-I54 PolarHBondContact O-N 3.02Å; E52-E55 PolarHBondContact O-N 3.22Å; E52-K56 HydrophobicContact CG-CD 3.68Å; E52-K56 HydrophobicContact CG-CG 4.11Å; E52-K56 VanDerWaalsContact O-CB 3.31Å; E52-K56 WeakPolarHBondContact O-CB 3.32Å; E52-K56 PolarHBondContact O-N 3.31Å; E52-K56 WeakPolarHBondContact OE1-CE 3.46Å; E52-K56 IonicContact OE1-NZ 2.69Å; E52-K56 PolarHBondContact OE1-NZ 3.29Å
53L93.4Very high92.6Very high88 Ų8887.6 Ų87.646%0.46147%0.474SS..Hα-helixtrans-63.1-35.2176.1-68.9171.6000112.1V49 L50 R57 L63V49-L53 HydrophobicContact CG1-CD1 4.04Å; V49-L53 HydrophobicContact CG1-CG 4.46Å; V49-L53 WeakPolarHBondContact O-CB 3.38Å; V49-L53 VanDerWaalsContact O-CG 3.28Å; V49-L53 WeakPolarHBondContact O-CG 3.11Å; V49-L53 PolarHBondContact O-N 3.26Å; L50-L53 PolarHBondContact O-N 3.08Å; L53-R57 WeakPolarHBondContact O-CB 3.37Å; L53-L63 HydrophobicContact CB-CD1 4.03Å; L53-L63 HydrophobicContact CB-CD2 4.05Å; L53-L63 HydrophobicContact CD1-CD1 4.3Å
54I92.1Very high92.5Very high16 Ų1689.9 Ų89.98%0.08248%0.482CS..Hα-helixtrans-68.7-47.8176.3-72.3168.3000110.7L50 Y51 E52 R57 L63 L82 L92L50-I54 HydrophobicContact CD1-CD1 3.86Å; L50-I54 HydrophobicContact CD1-CG1 4.24Å; L50-I54 HydrophobicContact CG-CD1 3.83Å; L50-I54 WeakPolarHBondContact O-CB 3.39Å; L50-I54 VanDerWaalsContact O-CG1 3.23Å; L50-I54 WeakPolarHBondContact O-CG1 3.39Å; L50-I54 PolarHBondContact O-N 3.15Å; Y51-I54 PolarHBondContact O-N 3.13Å; E52-I54 VanDerWaalsContact C-N 3.28Å; E52-I54 PolarHBondContact O-N 3.02Å; I54-R57 VanDerWaalsContact CA-NH1 3.32Å; I54-R57 PolarHBondContact O-NH1 2.86Å; I54-L63 HydrophobicContact CG1-CD2 3.73Å; I54-L82 HydrophobicContact CD1-CD2 3.69Å; I54-L92 HydrophobicContact CG2-CD1 4.38Å
55E92.1Very high92.3Very high85 Ų8592.2 Ų92.240%0.39750%0.497SS..Hα-helixtrans-87.5-32.5-166.1-66.3173.2-159.400113.5Y51 E52 K83 R85 H86Y51-E55 VanDerWaalsContact O-CB 3.29Å; Y51-E55 WeakPolarHBondContact O-CB 3.38Å; Y51-E55 VanDerWaalsContact O-CG 3.22Å; Y51-E55 WeakPolarHBondContact O-CG 3.32Å; Y51-E55 PolarHBondContact O-N 3.42Å; E52-E55 PolarHBondContact O-N 3.22Å; E55-K83 IonicContact OE1-NZ 2.8Å; E55-K83 PolarHBondContact OE1-NZ 2.9Å; E55-R85 IonicContact OE1-CZ 3.47Å; E55-R85 IonicContact OE1-NE 3.56Å; E55-R85 IonicContact OE1-NH2 2.66Å; E55-R85 PolarHBondContact OE1-NH2 2.97Å; E55-R85 IonicContact OE2-CZ 2.77Å; E55-R85 IonicContact OE2-NH2 3.42Å; E55-R85 PolarHBondContact OE2-NH2 3.34Å; E55-H86 IonicContact OE1-CE1 3.67Å; E55-H86 PolarHBondContact OE1-CE1 3.04Å; E55-H86 IonicContact OE1-NE2 3.02Å; E55-H86 PolarHBondContact OE1-NE2 3.4Å
56K93.1Very high92.2Very high153 Ų15391.7 Ų91.767%0.66550%0.504SS*.Hα-helixtrans-95.5-8.6-175.3-61.2-167.7-172.11690114.4E52E52-K56 HydrophobicContact CG-CD 3.68Å; E52-K56 HydrophobicContact CG-CG 4.11Å; E52-K56 VanDerWaalsContact O-CB 3.31Å; E52-K56 WeakPolarHBondContact O-CB 3.32Å; E52-K56 PolarHBondContact O-N 3.31Å; E52-K56 WeakPolarHBondContact OE1-CE 3.46Å; E52-K56 IonicContact OE1-NZ 2.69Å; E52-K56 PolarHBondContact OE1-NZ 3.29Å
57R91.1Very high92Very high69 Ų6989.3 Ų89.326%0.2650%0.497SS..SBendtrans-65.6146179.973.3-177-166.2-9914.4111.8L53 I54 T61L53-R57 WeakPolarHBondContact O-CB 3.37Å; I54-R57 VanDerWaalsContact CA-NH1 3.32Å; I54-R57 PolarHBondContact O-NH1 2.86Å; R57-T61 WeakPolarHBondContact CD-O 3.38Å
58G90.8Very high92.1Very high30 Ų3089.8 Ų89.831%0.30951%0.509SS..  trans-66.9155.5173.800000112.2A60 T61G58-A60 PolarHBondContact O-N 3.45Å; G58-A60 VanDerWaalsContact O-N 3.11Å; G58-T61 PolarHBondContact O-N 3.16Å
59P85.7Confident92Very high153 Ų15391.5 Ų91.599%0.99452%0.517SS*.THydrogen-bonded Turntrans-59.2-25.7-178.6-25.134000114.9
60A88.3Confident92Very high98 Ų9895.5 Ų95.581%0.8153%0.53SS*.THydrogen-bonded Turntrans-98.23.817900000113.3G58 P62G58-A60 PolarHBondContact O-N 3.45Å; G58-A60 VanDerWaalsContact O-N 3.11Å; A60-P62 WeakPolarHBondContact O-CD 3.25Å
61T91Very high92.1Very high81 Ų8195.7 Ų95.750%0.49754%0.535SS..  trans-100.6109.8-178.9-52.50000109.3R57 G58R57-T61 WeakPolarHBondContact CD-O 3.38Å; G58-T61 PolarHBondContact O-N 3.16Å
62P89.7Confident92Very high108 Ų10899.3 Ų99.370%0.70156%0.564SS**  trans-70.5150.2174.730.2-33.8000110.5A60A60-P62 WeakPolarHBondContact O-CD 3.25Å
63L90.6Very high91.8Very high58 Ų5898.8 Ų98.830%0.30456%0.562SS.*  trans-113.6121.7170.4176.861.7000107.7L53 I54L53-L63 HydrophobicContact CB-CD1 4.03Å; L53-L63 HydrophobicContact CB-CD2 4.05Å; L53-L63 HydrophobicContact CD1-CD1 4.3Å; I54-L63 HydrophobicContact CG1-CD2 3.73Å
64I91.4Very high91.7Very high139 Ų13996.2 Ų96.271%0.71355%0.549SS*.  trans-111122176.8-59.9175000107.4V66I64-V66 HydrophobicContact CG2-CG2 4.26Å
65T91Very high91.6Very high102 Ų10297.4 Ų97.463%0.62656%0.556SS**  trans-103.2132.9170.752.40000108.8L50L50-T65 HydrophobicContact CD1-CG2 4.28Å
66V92.8Very high91.6Very high139 Ų13994.8 Ų94.884%0.84255%0.546SS*.  trans-113.5126.3177-176.70000108I64I64-V66 HydrophobicContact CG2-CG2 4.26Å
67S90.8Very high91.6Very high79 Ų7990.3 Ų90.355%0.55253%0.527SS*.  trans-131.7158.2175.265.50000110.3
68N95.6Very high91.6Very high140 Ų14090 Ų9075%0.74953%0.53SS*.  trans-64160.5158.456.8-27.6000110
69H95.1Very high91.7Very high142 Ų14290.1 Ų90.166%0.65752%0.522SS*.  trans-115128.9173.4-17747.3000109.4S71 D74H69-S71 VanDerWaalsContact CE1-C 3.49Å; H69-S71 PolarHBondContact CE1-O 3.01Å; H69-D74 IonicContact CE1-OD2 2.86Å; H69-D74 IonicContact CG-OD2 3.82Å; H69-D74 IonicContact ND1-OD2 3.7Å; H69-D74 PolarHBondContact ND1-OD2 2.97Å
70Q95.5Very high92Very high161 Ų16183.4 Ų83.475%0.75248%0.48SS*.  trans-120-40.1177.7-175.771.3-27.900111.5D74Q70-D74 PolarHBondContact N-OD2 3.43Å
71S94.4Very high92.2Very high45 Ų4580.2 Ų80.232%0.31545%0.449SS..  trans-166.2172.2-179.569.40000112.4H69 M73 D74H69-S71 VanDerWaalsContact CE1-C 3.49Å; H69-S71 PolarHBondContact CE1-O 3.01Å; S71-M73 PolarHBondContact O-N 3.32Å; S71-M73 WeakPolarHBondContact OG-CB 3.46Å; S71-M73 PolarHBondContact OG-N 3.42Å; S71-M73 VanDerWaalsContact OG-N 3.14Å; S71-D74 PolarHBondContact N-OD2 3.11Å; S71-D74 VanDerWaalsContact N-OD2 3.14Å; S71-D74 VanDerWaalsContact O-CB 3.31Å; S71-D74 WeakPolarHBondContact O-CB 3.44Å; S71-D74 PolarHBondContact O-N 2.93Å
72C92Very high92.3Very high105 Ų10577.7 Ų77.771%0.70943%0.432SS*.THydrogen-bonded Turntrans-63.1-11.6170.9-52.10000113.6D74 P76C72-D74 PolarHBondContact O-N 2.7Å; C72-P76 WeakPolarHBondContact O-CD 3.49Å
73M91Very high92.4Very high84 Ų8475.6 Ų75.641%0.41441%0.412SS..THydrogen-bonded Turntrans-73.6-10.2172.9-64.8-61.1-62.900112.2S71 D75 P76 H77S71-M73 PolarHBondContact O-N 3.32Å; S71-M73 WeakPolarHBondContact OG-CB 3.46Å; S71-M73 PolarHBondContact OG-N 3.42Å; S71-M73 VanDerWaalsContact OG-N 3.14Å; M73-D75 VanDerWaalsContact C-N 3.25Å; M73-D75 PolarHBondContact O-N 3.38Å; M73-P76 VanDerWaalsContact O-CD 3.3Å; M73-P76 WeakPolarHBondContact O-CD 3.42Å; M73-H77 PolarHBondContact O-N 3Å; M73-H77 PolarHBondContact O-ND1 3.43Å
74D92.1Very high92.4Very high33 Ų3377.1 Ų77.118%0.17642%0.42CS..Hα-helixtrans-59-38.3178.5-61.1-18.7000111H69 Q70 S71 C72 H77 L78H69-D74 IonicContact CE1-OD2 2.86Å; H69-D74 IonicContact CG-OD2 3.82Å; H69-D74 IonicContact ND1-OD2 3.7Å; H69-D74 PolarHBondContact ND1-OD2 2.97Å; Q70-D74 PolarHBondContact N-OD2 3.43Å; S71-D74 PolarHBondContact N-OD2 3.11Å; S71-D74 VanDerWaalsContact N-OD2 3.14Å; S71-D74 VanDerWaalsContact O-CB 3.31Å; S71-D74 WeakPolarHBondContact O-CB 3.44Å; S71-D74 PolarHBondContact O-N 2.93Å; C72-D74 PolarHBondContact O-N 2.7Å; D74-H77 PolarHBondContact O-N 3.21Å; D74-L78 WeakPolarHBondContact O-CB 3.4Å; D74-L78 VanDerWaalsContact O-CG 3.28Å; D74-L78 WeakPolarHBondContact O-CG 3.13Å; D74-L78 PolarHBondContact O-N 3.39Å
75D90.6Very high92.4Very high42 Ų4277.4 Ų77.423%0.22541%0.412CS..Hα-helixtrans-67.4-51.4-177.9-38.7-36.3000112.2M73 H77 L78 W79 W95M73-D75 VanDerWaalsContact C-N 3.25Å; M73-D75 PolarHBondContact O-N 3.38Å; D75-H77 VanDerWaalsContact C-N 3.27Å; D75-H77 PolarHBondContact O-N 2.9Å; D75-L78 PolarHBondContact O-N 3.33Å; D75-W79 WeakPolarHBondContact O-CB 3.41Å; D75-W79 PolarHBondContact O-N 2.96Å; D75-W95 WeakPolarHBondContact OD1-CH2 3.39Å; D75-W95 WeakPolarHBondContact OD1-CZ2 3.48Å
76P91.3Very high92.4Very high29 Ų2972.7 Ų72.719%0.18838%0.383CS..Hα-helixtrans-56.1-37.2173.4-26.633.3000114.2S32 C72 M73 G80S32-P76 WeakPolarHBondContact CB-O 3.49Å; C72-P76 WeakPolarHBondContact O-CD 3.49Å; M73-P76 VanDerWaalsContact O-CD 3.3Å; M73-P76 WeakPolarHBondContact O-CD 3.42Å; P76-G80 PolarHBondContact O-N 3.49Å
77H92.3Very high92.4Very high59 Ų5966.1 Ų66.127%0.27334%0.343SS..Hα-helixtrans-69.2-45.4177.7-69.2101.9000111.5M73 D74 D75 W79 G80 I81M73-H77 PolarHBondContact O-N 3Å; M73-H77 PolarHBondContact O-ND1 3.43Å; D74-H77 PolarHBondContact O-N 3.21Å; D75-H77 VanDerWaalsContact C-N 3.27Å; D75-H77 PolarHBondContact O-N 2.9Å; H77-W79 VanDerWaalsContact C-N 3.33Å; H77-W79 PolarHBondContact O-N 2.95Å; H77-G80 PolarHBondContact O-N 2.92Å; H77-I81 PolarHBondContact O-N 2.92Å
78L91.7Very high92.4Very high63 Ų6368.6 Ų68.633%0.3334%0.34SS..Hα-helixtrans-64.3-36.5176.6-72172.9000112.3D74 D75 I81D74-L78 WeakPolarHBondContact O-CB 3.4Å; D74-L78 VanDerWaalsContact O-CG 3.28Å; D74-L78 WeakPolarHBondContact O-CG 3.13Å; D74-L78 PolarHBondContact O-N 3.39Å; D75-L78 PolarHBondContact O-N 3.33Å; L78-I81 WeakPolarHBondContact O-CG1 3.44Å
79W91.9Very high92.1Very high33 Ų3364.8 Ų64.813%0.12532%0.32CS..Hα-helixtrans-74-36.6177.4-66.811.8000110.8M25 V28 D75 H77 I81 L82 M93M25-W79 HydrophobicContact CE-CH2 3.33Å; M25-W79 HydrophobicContact CE-CZ2 3.57Å; M25-W79 HydrophobicContact CE-CZ3 4.19Å; M25-W79 HydrophobicContact SD-CH2 4.05Å; V28-W79 HydrophobicContact CB-CE3 4.48Å; V28-W79 HydrophobicContact CB-CZ3 3.79Å; V28-W79 HydrophobicContact CG1-CE3 3.98Å; V28-W79 HydrophobicContact CG1-CH2 4.38Å; V28-W79 HydrophobicContact CG1-CZ3 3.41Å; V28-W79 VanDerWaalsContact CG1-CZ3 3.41Å; D75-W79 WeakPolarHBondContact O-CB 3.41Å; D75-W79 PolarHBondContact O-N 2.96Å; H77-W79 VanDerWaalsContact C-N 3.33Å; H77-W79 PolarHBondContact O-N 2.95Å; W79-I81 PolarHBondContact O-N 2.96Å; W79-L82 WeakPolarHBondContact O-CB 2.96Å; W79-L82 PolarHBondContact O-N 3.28Å; W79-M93 HydrophobicContact CE3-CE 4.38Å; W79-M93 HydrophobicContact CZ3-CE 4.42Å
80G92.8Very high91.5Very high11 Ų1159.6 Ų59.611%0.11330%0.297CS..Hα-helixtrans-67.3-18.9178.900000114.6T36 P76 H77T36-G80 WeakPolarHBondContact OG1-CA 3.46Å; T36-G80 PolarHBondContact OG1-O 3.09Å; P76-G80 PolarHBondContact O-N 3.49Å; H77-G80 PolarHBondContact O-N 2.92Å
81I93.1Very high90.8Very high31 Ų3160.1 Ų60.116%0.15930%0.297CS..THydrogen-bonded Turntrans-83.4-10.8171.164.9164.2000113.5L42 V44 L50 Y51 H77 L78 W79L42-I81 HydrophobicContact CD2-CG2 3.35Å; L42-I81 HydrophobicContact CG-CG2 4.35Å; V44-I81 HydrophobicContact CB-CG2 4.47Å; V44-I81 HydrophobicContact CG1-CD1 4.43Å; V44-I81 HydrophobicContact CG1-CG2 4.19Å; V44-I81 HydrophobicContact CG2-CB 4.34Å; V44-I81 HydrophobicContact CG2-CG2 3.41Å; V44-I81 VanDerWaalsContact CG2-CG2 3.41Å; L50-I81 HydrophobicContact CD2-CD1 3.7Å; Y51-I81 PolarHBondContact OH-O 2.92Å; H77-I81 PolarHBondContact O-N 2.92Å; L78-I81 WeakPolarHBondContact O-CG1 3.44Å; W79-I81 PolarHBondContact O-N 2.96Å
82L92.4Very high90.3Very high28 Ų2860.8 Ų60.815%0.14730%0.297CS..SBendtrans-84.8153.7-178.3-64176.5000111.9L50 I54 W79 H86 I87L50-L82 HydrophobicContact CD2-CD2 4.31Å; I54-L82 HydrophobicContact CD1-CD2 3.69Å; W79-L82 WeakPolarHBondContact O-CB 2.96Å; W79-L82 PolarHBondContact O-N 3.28Å; L82-H86 HydrophobicContact CB-CB 4.21Å; L82-I87 HydrophobicContact CB-CD1 4.33Å; L82-I87 HydrophobicContact CB-CG1 4.04Å
83K91.9Very high89.5Confident64 Ų6456.4 Ų56.428%0.27827%0.266SS..  trans-71.3149.2170.2-58.8176.9-171.9160.30109.5Y51 E55 R85 H86 I87Y51-K83 HydrophobicContact CE1-CG 4.28Å; Y51-K83 VanDerWaalsContact CE2-CE 3.5Å; Y51-K83 HydrophobicContact CE2-CG 4.48Å; E55-K83 IonicContact OE1-NZ 2.8Å; E55-K83 PolarHBondContact OE1-NZ 2.9Å; K83-R85 HydrophobicContact CB-CG 3.98Å; K83-R85 VanDerWaalsContact NZ-NH2 3.13Å; K83-R85 PolarHBondContact O-N 3.32Å; K83-R85 VanDerWaalsContact O-N 3.13Å; K83-H86 PolarHBondContact N-ND1 3Å; K83-H86 WeakPolarHBondContact O-CA 3.46Å; K83-H86 VanDerWaalsContact O-CB 3.32Å; K83-H86 WeakPolarHBondContact O-CB 3.13Å; K83-H86 PolarHBondContact O-N 2.67Å; K83-I87 PolarHBondContact O-N 3.42Å; K83-I87 VanDerWaalsContact O-N 3.15Å
84L91.3Very high88.2Confident91 Ų9161.5 Ų61.548%0.47628%0.28SS..Hα-helixtrans-53.3-38.4175.8-67.4175.5000112.4T30 H86 I87 W88T30-L84 HydrophobicContact CG2-CD2 4.28Å; L84-H86 PolarHBondContact O-N 2.97Å; L84-I87 HydrophobicContact CD2-CD1 4.43Å; L84-I87 WeakPolarHBondContact O-CB 3.29Å; L84-I87 PolarHBondContact O-N 2.93Å; L84-I87 VanDerWaalsContact O-N 3.08Å; L84-W88 VanDerWaalsContact O-CD1 3.24Å; L84-W88 PolarHBondContact O-N 3.46Å
85R91Very high86.5Confident145 Ų14570.9 Ų70.955%0.54731%0.313SS..Hα-helixtrans-62.7-27175.968.4175179.8-164.3-2.6114.4E55 K83 N89E55-R85 IonicContact OE1-CZ 3.47Å; E55-R85 IonicContact OE1-NE 3.56Å; E55-R85 IonicContact OE1-NH2 2.66Å; E55-R85 PolarHBondContact OE1-NH2 2.97Å; E55-R85 IonicContact OE2-CZ 2.77Å; E55-R85 IonicContact OE2-NH2 3.42Å; E55-R85 PolarHBondContact OE2-NH2 3.34Å; K83-R85 HydrophobicContact CB-CG 3.98Å; K83-R85 VanDerWaalsContact NZ-NH2 3.13Å; K83-R85 PolarHBondContact O-N 3.32Å; K83-R85 VanDerWaalsContact O-N 3.13Å; R85-N89 WeakPolarHBondContact O-CB 3.36Å
86H91.7Very high86.3Confident3 Ų372.4 Ų72.41%0.01432%0.318CS..Hα-helixtrans-75.2-44173.8-52.6158000108.9Y51 E55 L82 K83 L84 W88 N89 M93Y51-H86 AromaticContact CD1-CE1 3.74Å; E55-H86 IonicContact OE1-CE1 3.67Å; E55-H86 PolarHBondContact OE1-CE1 3.04Å; E55-H86 IonicContact OE1-NE2 3.02Å; E55-H86 PolarHBondContact OE1-NE2 3.4Å; L82-H86 HydrophobicContact CB-CB 4.21Å; K83-H86 PolarHBondContact N-ND1 3Å; K83-H86 WeakPolarHBondContact O-CA 3.46Å; K83-H86 VanDerWaalsContact O-CB 3.32Å; K83-H86 WeakPolarHBondContact O-CB 3.13Å; K83-H86 PolarHBondContact O-N 2.67Å; L84-H86 PolarHBondContact O-N 2.97Å; H86-W88 PolarHBondContact O-N 3.28Å; H86-N89 PolarHBondContact O-N 3.4Å; H86-M93 WeakPolarHBondContact O-CB 3.33Å
87I91.2Very high86Confident1 Ų174.6 Ų74.61%0.00533%0.325CS..Hα-helixtrans-61.2-46.8-177.6-68167.6000112.5C33 L82 K83 L84 N89 M93C33-I87 HydrophobicContact CB-CD1 4.46Å; L82-I87 HydrophobicContact CB-CD1 4.33Å; L82-I87 HydrophobicContact CB-CG1 4.04Å; K83-I87 PolarHBondContact O-N 3.42Å; K83-I87 VanDerWaalsContact O-N 3.15Å; L84-I87 HydrophobicContact CD2-CD1 4.43Å; L84-I87 WeakPolarHBondContact O-CB 3.29Å; L84-I87 PolarHBondContact O-N 2.93Å; L84-I87 VanDerWaalsContact O-N 3.08Å; I87-N89 PolarHBondContact O-N 2.9Å; I87-M93 WeakPolarHBondContact CA-SD 3.39Å; I87-M93 HydrophobicContact CB-CE 4.26Å; I87-M93 HydrophobicContact CB-SD 4.04Å; I87-M93 HydrophobicContact CG1-SD 3.98Å; I87-M93 HydrophobicContact CG2-CE 3.72Å; I87-M93 HydrophobicContact CG2-SD 4.17Å; I87-M93 WeakPolarHBondContact O-CE 3.4Å
88W91.6Very high85.7Confident130 Ų13075.5 Ų75.549%0.49233%0.328SS..THydrogen-bonded Turntrans-80.78.3-178.4-72.289.8000113.8L27 T30 L84 H86L27-W88 HydrophobicContact CD2-CH2 4.49Å; T30-W88 PolarHBondContact OG1-NE1 3.31Å; T30-W88 VanDerWaalsContact OG1-NE1 3.09Å; L84-W88 VanDerWaalsContact O-CD1 3.24Å; L84-W88 PolarHBondContact O-N 3.46Å; H86-W88 PolarHBondContact O-N 3.28Å
89N89.5Confident85.3Confident60 Ų6076.2 Ų76.232%0.32133%0.327SS..  trans-115.996.4178.4-174.8-22.5000110.7R85 H86 I87 K91 L92 M93R85-N89 WeakPolarHBondContact O-CB 3.36Å; H86-N89 PolarHBondContact O-N 3.4Å; I87-N89 PolarHBondContact O-N 2.9Å; N89-K91 PolarHBondContact O-N 2.95Å; N89-K91 WeakPolarHBondContact OD1-CB 3.28Å; N89-K91 PolarHBondContact OD1-N 3.16Å; N89-L92 HydrophobicContact CB-CB 4.22Å; N89-L92 HydrophobicContact CB-CD1 4.21Å; N89-L92 HydrophobicContact CB-CG 4.28Å; N89-L92 WeakPolarHBondContact ND2-CD1 3.48Å; N89-L92 PolarHBondContact O-N 2.82Å; N89-L92 PolarHBondContact OD1-N 3.27Å; N89-M93 PolarHBondContact O-N 3.3Å
90L82.6Confident84.9Confident33 Ų3378.9 Ų78.917%0.17334%0.34CS..THydrogen-bonded Turntrans-59.2-11.4178.5-73.7-168.6000115.7T18 S22 M25 R94T18-L90 HydrophobicContact CG2-CD1 4.26Å; S22-L90 WeakPolarHBondContact OG-CD1 3.31Å; S22-L90 WeakPolarHBondContact OG-CG 3.44Å; M25-L90 HydrophobicContact CB-CD2 3.91Å; M25-L90 HydrophobicContact CG-CD2 3.84Å; L90-R94 WeakPolarHBondContact O-CG 3.28Å; L90-R94 PolarHBondContact O-NE 3.04Å
91K81.1Confident84.4Confident173 Ų17383.5 Ų83.575%0.75236%0.355SS*.THydrogen-bonded Turntrans-86.9-27.8173.7-61.3-178179.7179.20111.6N89N89-K91 PolarHBondContact O-N 2.95Å; N89-K91 WeakPolarHBondContact OD1-CB 3.28Å; N89-K91 PolarHBondContact OD1-N 3.16Å
92L83.3Confident83.8Confident59 Ų5987.2 Ų87.231%0.30937%0.369SS..THydrogen-bonded Turntrans-93.3-43.3177.1-62.7179.6000111.2I54 N89 R94I54-L92 HydrophobicContact CG2-CD1 4.38Å; N89-L92 HydrophobicContact CB-CB 4.22Å; N89-L92 HydrophobicContact CB-CD1 4.21Å; N89-L92 HydrophobicContact CB-CG 4.28Å; N89-L92 WeakPolarHBondContact ND2-CD1 3.48Å; N89-L92 PolarHBondContact O-N 2.82Å; N89-L92 PolarHBondContact OD1-N 3.27Å; L92-R94 PolarHBondContact O-N 3.43Å
93M75.2Confident83.1Confident12 Ų1291.8 Ų91.86%0.05939%0.386CS..  trans-88.188.1173.9-176.2145.6114.600109.2M25 W79 H86 I87 N89M25-M93 HydrophobicContact CB-CE 3.83Å; M25-M93 HydrophobicContact CE-CE 3.96Å; M25-M93 HydrophobicContact CE-CG 4.47Å; M25-M93 VanDerWaalsContact O-CE 3.25Å; M25-M93 WeakPolarHBondContact O-CE 3.41Å; W79-M93 HydrophobicContact CE3-CE 4.38Å; W79-M93 HydrophobicContact CZ3-CE 4.42Å; H86-M93 WeakPolarHBondContact O-CB 3.33Å; I87-M93 WeakPolarHBondContact CA-SD 3.39Å; I87-M93 HydrophobicContact CB-CE 4.26Å; I87-M93 HydrophobicContact CB-SD 4.04Å; I87-M93 HydrophobicContact CG1-SD 3.98Å; I87-M93 HydrophobicContact CG2-CE 3.72Å; I87-M93 HydrophobicContact CG2-SD 4.17Å; I87-M93 WeakPolarHBondContact O-CE 3.4Å; N89-M93 PolarHBondContact O-N 3.3Å
94R63.9Low82.4Confident191 Ų19194.1 Ų94.172%0.72140%0.395SS*.  trans-130.1127161.9-68.9-172.8172.3-179-9.9107.1L90 L92L90-R94 WeakPolarHBondContact O-CG 3.28Å; L90-R94 PolarHBondContact O-NE 3.04Å; L92-R94 PolarHBondContact O-N 3.43Å
95W56.2Low81.6Confident231 Ų23194.4 Ų94.488%0.87539%0.388SS*.  trans-87.80167.4-137.455.5000107.6D75D75-W95 WeakPolarHBondContact OD1-CH2 3.39Å; D75-W95 WeakPolarHBondContact OD1-CZ2 3.48Å

Retrieved 95 of 95 residues in 56 ms (Link to these results)