A0A061IQD3_CRIGR Loading...

NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 4-like 2

AlphaFold DB (A0A6I9KY44), UniProt , Accession A0A061IQD3, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Ndufa4l2, Length 87 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
1M45.5Very low73.6Confident244 Ų244105.7 Ų105.7100%1.20264%0.638SS**  0103.40-65.1176.3-167.300107.7G3M1-G3 PolarHBondContact O-N 3.23Å
2A53.7Low74.7Confident105 Ų105110.7 Ų110.787%0.86864%0.636SS**  trans-70.8111.9-175.300000110T4A2-T4 PolarHBondContact O-N 3.05Å
3G60.2Low75.6Confident76 Ų76111.2 Ų111.278%0.78463%0.63SS**PPolyproline II helixtrans-61.712117500000110M1 S5M1-G3 PolarHBondContact O-N 3.23Å; G3-S5 PolarHBondContact O-N 3.13Å
4T67.7Low76.5Confident76 Ų76106.1 Ų106.147%0.46660%0.599SS.*PPolyproline II helixtrans-55.5129.6176.248.10000110.6A2A2-T4 PolarHBondContact O-N 3.05Å
5S80.8Confident77.1Confident81 Ų81108.7 Ų108.757%0.56660%0.601SS**PPolyproline II helixtrans-56.6150.3-178.867.20000112.4G3 G7 A8 R9G3-S5 PolarHBondContact O-N 3.13Å; S5-G7 PolarHBondContact O-N 3.27Å; S5-A8 WeakPolarHBondContact O-CB 3.38Å; S5-A8 PolarHBondContact O-N 3.27Å; S5-A8 WeakPolarHBondContact OG-CB 3.37Å; S5-A8 PolarHBondContact OG-N 3.07Å; S5-R9 PolarHBondContact O-N 2.84Å; S5-R9 VanDerWaalsContact O-N 3.14Å
6A78.6Confident78Confident78 Ų78114.5 Ų114.565%0.64561%0.611SS**Hα-helixtrans-54.4-38.9-178.700000112.6R9 F10A6-R9 PolarHBondContact O-N 3.43Å; A6-F10 PolarHBondContact O-N 2.98Å
7G82.3Confident78.6Confident50 Ų50113.6 Ų113.652%0.51560%0.603SS.*Hα-helixtrans-64.7-38.217500000113.6S5 R9 F10 Y11S5-G7 PolarHBondContact O-N 3.27Å; G7-R9 VanDerWaalsContact C-N 3.3Å; G7-R9 PolarHBondContact O-N 3.12Å; G7-F10 PolarHBondContact O-N 3.46Å; G7-Y11 WeakPolarHBondContact O-CB 3.45Å; G7-Y11 PolarHBondContact O-N 3.29Å
8A83.1Confident79.1Confident37 Ų37112.4 Ų112.431%0.30660%0.602SS.*Hα-helixtrans-67.2-31.8176.200000112.4S5 R12S5-A8 WeakPolarHBondContact O-CB 3.38Å; S5-A8 PolarHBondContact O-N 3.27Å; S5-A8 WeakPolarHBondContact OG-CB 3.37Å; S5-A8 PolarHBondContact OG-N 3.07Å; A8-R12 WeakPolarHBondContact O-CB 3.4Å; A8-R12 PolarHBondContact O-N 3.5Å
9R85.9Confident79.6Confident163 Ų163109.2 Ų109.262%0.61560%0.598SS**Hα-helixtrans-70.6-44.7174.1-60.7-153-63.9-166.5-0.4111.7S5 A6 G7 R12 Q13S5-R9 PolarHBondContact O-N 2.84Å; S5-R9 VanDerWaalsContact O-N 3.14Å; A6-R9 PolarHBondContact O-N 3.43Å; G7-R9 VanDerWaalsContact C-N 3.3Å; G7-R9 PolarHBondContact O-N 3.12Å; R9-R12 PolarHBondContact O-N 3.32Å; R9-Q13 PolarHBondContact O-N 2.96Å
10F85.6Confident80Confident117 Ų117106.8 Ų106.851%0.51358%0.584SS.*Hα-helixtrans-61.5-46.6177.8-176.3-112.1000112.5A6 G7 R12 Q13 I14 I24A6-F10 PolarHBondContact O-N 2.98Å; G7-F10 PolarHBondContact O-N 3.46Å; F10-R12 VanDerWaalsContact C-N 3.32Å; F10-R12 PolarHBondContact O-N 3.42Å; F10-Q13 WeakPolarHBondContact O-CB 3.05Å; F10-Q13 PolarHBondContact O-N 3.44Å; F10-Q13 VanDerWaalsContact O-N 3.11Å; F10-I14 HydrophobicContact CD1-CD1 3.69Å; F10-I14 HydrophobicContact CE1-CD1 3.25Å; F10-I14 HydrophobicContact CE1-CG1 4.34Å; F10-I14 HydrophobicContact CE2-CD1 4.19Å; F10-I14 HydrophobicContact CG-CD1 4.35Å; F10-I14 HydrophobicContact CZ-CD1 3.54Å; F10-I14 HydrophobicContact CZ-CG1 4.31Å; F10-I14 PolarHBondContact O-N 3.21Å; F10-I24 HydrophobicContact CE2-CD1 4.46Å; F10-I24 HydrophobicContact CZ-CD1 4.01Å
11Y85.9Confident80.5Confident136 Ų136106.4 Ų106.453%0.53358%0.581SS.*Hα-helixtrans-59.2-42.2176.4179-101.8000112.5G7 Q13 I14 K15G7-Y11 WeakPolarHBondContact O-CB 3.45Å; G7-Y11 PolarHBondContact O-N 3.29Å; Y11-Q13 VanDerWaalsContact C-N 3.28Å; Y11-Q13 PolarHBondContact O-N 2.96Å; Y11-I14 PolarHBondContact O-N 3.03Å; Y11-K15 HydrophobicContact CD1-CD 4.45Å; Y11-K15 HydrophobicContact CE1-CD 3.71Å; Y11-K15 HydrophobicContact CE1-CG 4.34Å; Y11-K15 VanDerWaalsContact CZ-CE 3.44Å; Y11-K15 PolarHBondContact O-N 3.4Å; Y11-K15 WeakPolarHBondContact OH-CE 3.3Å; Y11-K15 PolarHBondContact OH-NZ 2.98Å
12R87.1Confident82.7Confident165 Ų16598.1 Ų98.162%0.62355%0.545SS*.Hα-helixtrans-64-35.5177.1-159-178-59.5-159.40111.7A8 R9 F10 R16A8-R12 WeakPolarHBondContact O-CB 3.4Å; A8-R12 PolarHBondContact O-N 3.5Å; R9-R12 PolarHBondContact O-N 3.32Å; F10-R12 VanDerWaalsContact C-N 3.32Å; F10-R12 PolarHBondContact O-N 3.42Å; R12-R16 WeakPolarHBondContact O-CB 3.41Å; R12-R16 PolarHBondContact O-N 3.3Å; R12-R16 VanDerWaalsContact O-N 3.1Å
13Q86.2Confident84.6Confident118 Ų11898.9 Ų98.955%0.55153%0.532SS*.Hα-helixtrans-71.2-40.5178.1-165.6160.8-39.500112.4R9 F10 Y11 R16 H17R9-Q13 PolarHBondContact O-N 2.96Å; F10-Q13 WeakPolarHBondContact O-CB 3.05Å; F10-Q13 PolarHBondContact O-N 3.44Å; F10-Q13 VanDerWaalsContact O-N 3.11Å; Y11-Q13 VanDerWaalsContact C-N 3.28Å; Y11-Q13 PolarHBondContact O-N 2.96Å; Q13-R16 PolarHBondContact O-N 3.38Å; Q13-H17 PolarHBondContact O-N 3.1Å; Q13-H17 VanDerWaalsContact O-N 3.12Å
14I88.6Confident86.1Confident39 Ų3997.9 Ų97.920%0.251%0.508CS..Hα-helixtrans-63.2-44.3173.7-68.4170.8000110.9F10 Y11 R16 H17 I21 I24F10-I14 HydrophobicContact CD1-CD1 3.69Å; F10-I14 HydrophobicContact CE1-CD1 3.25Å; F10-I14 HydrophobicContact CE1-CG1 4.34Å; F10-I14 HydrophobicContact CE2-CD1 4.19Å; F10-I14 HydrophobicContact CG-CD1 4.35Å; F10-I14 HydrophobicContact CZ-CD1 3.54Å; F10-I14 HydrophobicContact CZ-CG1 4.31Å; F10-I14 PolarHBondContact O-N 3.21Å; Y11-I14 PolarHBondContact O-N 3.03Å; I14-R16 VanDerWaalsContact C-N 3.28Å; I14-R16 PolarHBondContact O-N 3.37Å; I14-H17 CarbonylContact O-C 3.26Å; I14-H17 VanDerWaalsContact O-C 3.26Å; I14-H17 PolarHBondContact O-N 3.11Å; I14-I21 HydrophobicContact CG2-CD1 4.18Å; I14-I21 HydrophobicContact CG2-CG1 3.62Å; I14-I24 HydrophobicContact CD1-CD1 4.21Å; I14-I24 HydrophobicContact CG1-CD1 4.27Å
15K85.9Confident87.4Confident145 Ų14595.9 Ų95.963%0.6350%0.503SS*.Hα-helixtrans-62.8-34.3176.6-87.1-165.8163.6176.50113.2Y11 H17Y11-K15 HydrophobicContact CD1-CD 4.45Å; Y11-K15 HydrophobicContact CE1-CD 3.71Å; Y11-K15 HydrophobicContact CE1-CG 4.34Å; Y11-K15 VanDerWaalsContact CZ-CE 3.44Å; Y11-K15 PolarHBondContact O-N 3.4Å; Y11-K15 WeakPolarHBondContact OH-CE 3.3Å; Y11-K15 PolarHBondContact OH-NZ 2.98Å; K15-H17 VanDerWaalsContact C-N 3.34Å
16R90.6Very high88.1Confident202 Ų20299.4 Ų99.476%0.76251%0.508SS*.Hα-helixtrans-75.7-24.4179.9-164.6167.9-175.1167.80.3112.7R12 Q13 I14R12-R16 WeakPolarHBondContact O-CB 3.41Å; R12-R16 PolarHBondContact O-N 3.3Å; R12-R16 VanDerWaalsContact O-N 3.1Å; Q13-R16 PolarHBondContact O-N 3.38Å; I14-R16 VanDerWaalsContact C-N 3.28Å; I14-R16 PolarHBondContact O-N 3.37Å
17H89.4Confident88.9Confident100 Ų100100.4 Ų100.446%0.46350%0.502SS..  trans-130.983.9-178.8-60.7-72.2000110.9Q13 I14 K15 G19 L20Q13-H17 PolarHBondContact O-N 3.1Å; Q13-H17 VanDerWaalsContact O-N 3.12Å; I14-H17 CarbonylContact O-C 3.26Å; I14-H17 VanDerWaalsContact O-C 3.26Å; I14-H17 PolarHBondContact O-N 3.11Å; K15-H17 VanDerWaalsContact C-N 3.34Å; H17-G19 PolarHBondContact O-N 3.05Å; H17-G19 VanDerWaalsContact O-N 3.13Å; H17-L20 HydrophobicContact CB-CD1 3.75Å; H17-L20 HydrophobicContact CB-CG 3.94Å; H17-L20 WeakPolarHBondContact O-CB 3.32Å; H17-L20 PolarHBondContact O-N 3.37Å
18P86.5Confident89.6Confident91 Ų91101.9 Ų101.959%0.59150%0.503SS*.THydrogen-bonded Turntrans-62.7-23.3-175.324.1-33.6000113.6L20 I21P18-L20 PolarHBondContact O-N 3.31Å; P18-I21 WeakPolarHBondContact O-CB 3.41Å; P18-I21 WeakPolarHBondContact O-CG1 3.36Å; P18-I21 PolarHBondContact O-N 3Å
19G88.6Confident90.2Very high52 Ų52105.8 Ų105.854%0.53652%0.518SS..THydrogen-bonded Turntrans-64.5-16.7174.500000114.9H17 I21 P22H17-G19 PolarHBondContact O-N 3.05Å; H17-G19 VanDerWaalsContact O-N 3.13Å; G19-I21 VanDerWaalsContact C-N 3.33Å; G19-P22 WeakPolarHBondContact O-CD 3.49Å; G19-P22 WeakPolarHBondContact O-CG 3.32Å
20L88.5Confident90.7Very high60 Ų6099.8 Ų99.831%0.31451%0.507SS..Hα-helixtrans-75.6-22.9175.8-65.4177.1000112.8H17 P18 M23 I24H17-L20 HydrophobicContact CB-CD1 3.75Å; H17-L20 HydrophobicContact CB-CG 3.94Å; H17-L20 WeakPolarHBondContact O-CB 3.32Å; H17-L20 PolarHBondContact O-N 3.37Å; P18-L20 PolarHBondContact O-N 3.31Å; L20-M23 PolarHBondContact O-N 2.74Å; L20-I24 HydrophobicContact CB-CD1 4.29Å; L20-I24 WeakPolarHBondContact O-CB 3.45Å; L20-I24 VanDerWaalsContact O-CG1 3.32Å; L20-I24 WeakPolarHBondContact O-CG1 3.44Å; L20-I24 PolarHBondContact O-N 2.99Å
21I89.1Confident91.3Very high99 Ų99100.9 Ų100.951%0.50852%0.515SS..Hα-helixtrans-59.4-54-178.3-60.6169.5000111.5I14 P18 G19 M23 I24 G25I14-I21 HydrophobicContact CG2-CD1 4.18Å; I14-I21 HydrophobicContact CG2-CG1 3.62Å; P18-I21 WeakPolarHBondContact O-CB 3.41Å; P18-I21 WeakPolarHBondContact O-CG1 3.36Å; P18-I21 PolarHBondContact O-N 3Å; G19-I21 VanDerWaalsContact C-N 3.33Å; I21-M23 VanDerWaalsContact C-N 3.35Å; I21-M23 PolarHBondContact O-N 2.87Å; I21-I24 PolarHBondContact O-N 3.25Å; I21-G25 PolarHBondContact O-N 3.47Å
22P93.6Very high91.8Very high70 Ų7096 Ų9646%0.45551%0.507SS..Hα-helixtrans-63.8-38.2178.223.3-33.7000112.5G19 G25 F26G19-P22 WeakPolarHBondContact O-CD 3.49Å; G19-P22 WeakPolarHBondContact O-CG 3.32Å; P22-G25 PolarHBondContact O-N 2.9Å; P22-F26 HydrophobicContact CB-CE2 4.39Å; P22-F26 WeakPolarHBondContact O-CD2 3.48Å; P22-F26 PolarHBondContact O-N 3.44Å
23M92.3Very high92.2Very high121 Ų12191.5 Ų91.560%0.59650%0.501SS*.Hα-helixtrans-62-49.8178.5-72.4-171.99400112.1L20 I21 G25 F26 I27L20-M23 PolarHBondContact O-N 2.74Å; I21-M23 VanDerWaalsContact C-N 3.35Å; I21-M23 PolarHBondContact O-N 2.87Å; M23-G25 VanDerWaalsContact C-N 3.27Å; M23-G25 PolarHBondContact O-N 2.83Å; M23-F26 PolarHBondContact O-N 2.88Å; M23-I27 VanDerWaalsContact O-CG1 3.3Å; M23-I27 WeakPolarHBondContact O-CG1 3.47Å; M23-I27 PolarHBondContact O-N 3.27Å
24I92.4Very high92.7Very high56 Ų5688.4 Ų88.429%0.28750%0.495SS..Hα-helixtrans-62.9-39.5177.6-66.1166.4000110F10 I14 L20 I21 F26 I27 C28F10-I24 HydrophobicContact CE2-CD1 4.46Å; F10-I24 HydrophobicContact CZ-CD1 4.01Å; I14-I24 HydrophobicContact CD1-CD1 4.21Å; I14-I24 HydrophobicContact CG1-CD1 4.27Å; L20-I24 HydrophobicContact CB-CD1 4.29Å; L20-I24 WeakPolarHBondContact O-CB 3.45Å; L20-I24 VanDerWaalsContact O-CG1 3.32Å; L20-I24 WeakPolarHBondContact O-CG1 3.44Å; L20-I24 PolarHBondContact O-N 2.99Å; I21-I24 PolarHBondContact O-N 3.25Å; I24-F26 PolarHBondContact O-N 3.33Å; I24-I27 PolarHBondContact O-N 2.98Å; I24-C28 WeakPolarHBondContact O-CB 3Å; I24-C28 PolarHBondContact O-N 3.37Å; I24-C28 PolarHBondContact O-SG 2.88Å; I24-C28 VanDerWaalsContact O-SG 3.33Å
25G94.1Very high93Very high34 Ų3488.4 Ų88.435%0.35151%0.505SS..Hα-helixtrans-55.2-50175.200000112.9I21 P22 M23 C28 L29I21-G25 PolarHBondContact O-N 3.47Å; P22-G25 PolarHBondContact O-N 2.9Å; M23-G25 VanDerWaalsContact C-N 3.27Å; M23-G25 PolarHBondContact O-N 2.83Å; G25-C28 PolarHBondContact O-N 3.07Å; G25-L29 WeakPolarHBondContact O-CB 3.43Å; G25-L29 PolarHBondContact O-N 3.29Å
26F95.8Very high93.5Very high154 Ų15487.2 Ų87.268%0.67551%0.505SS*.Hα-helixtrans-66-37.8178-72.2-60.1000113P22 M23 I24 L29 G30P22-F26 HydrophobicContact CB-CE2 4.39Å; P22-F26 WeakPolarHBondContact O-CD2 3.48Å; P22-F26 PolarHBondContact O-N 3.44Å; M23-F26 PolarHBondContact O-N 2.88Å; I24-F26 PolarHBondContact O-N 3.33Å; F26-L29 PolarHBondContact O-N 3.41Å; F26-G30 PolarHBondContact O-N 2.92Å
27I95.9Very high93.6Very high100 Ų10083.2 Ų83.251%0.51349%0.491SS..Hα-helixtrans-64.4-47.9176.6-66.6165.1000110.4M23 I24 L29 G30 M31M23-I27 VanDerWaalsContact O-CG1 3.3Å; M23-I27 WeakPolarHBondContact O-CG1 3.47Å; M23-I27 PolarHBondContact O-N 3.27Å; I24-I27 PolarHBondContact O-N 2.98Å; I27-L29 VanDerWaalsContact C-N 3.34Å; I27-L29 PolarHBondContact O-N 3.14Å; I27-G30 PolarHBondContact O-N 3.44Å; I27-M31 HydrophobicContact CG2-CG 4.46Å; I27-M31 HydrophobicContact CG2-SD 3.98Å; I27-M31 WeakPolarHBondContact O-CB 3.44Å; I27-M31 WeakPolarHBondContact O-CG 3.42Å; I27-M31 PolarHBondContact O-N 3.27Å
28C95.9Very high93.8Very high80 Ų8083.9 Ų83.954%0.54150%0.497SS..Hα-helixtrans-62.7-40.7177.2-70.10000111.8I24 G25 G32I24-C28 WeakPolarHBondContact O-CB 3Å; I24-C28 PolarHBondContact O-N 3.37Å; I24-C28 PolarHBondContact O-SG 2.88Å; I24-C28 VanDerWaalsContact O-SG 3.33Å; G25-C28 PolarHBondContact O-N 3.07Å; C28-G32 WeakPolarHBondContact O-CA 3.46Å; C28-G32 PolarHBondContact O-N 3.43Å
29L96.6Very high94.1Very high120 Ų12084.2 Ų84.263%0.62849%0.493SS*.Hα-helixtrans-61.8-45.2173.7-92.1163.8000111.9G25 F26 I27 S33G25-L29 WeakPolarHBondContact O-CB 3.43Å; G25-L29 PolarHBondContact O-N 3.29Å; F26-L29 PolarHBondContact O-N 3.41Å; I27-L29 VanDerWaalsContact C-N 3.34Å; I27-L29 PolarHBondContact O-N 3.14Å; L29-S33 VanDerWaalsContact O-CB 3.24Å; L29-S33 WeakPolarHBondContact O-CB 3.24Å; L29-S33 PolarHBondContact O-N 2.97Å; L29-S33 PolarHBondContact O-OG 3.2Å
30G96.8Very high94.3Very high37 Ų3784.3 Ų84.338%0.38148%0.477SS..Hα-helixtrans-62.8-50.717800000112.3F26 I27 S33 A34F26-G30 PolarHBondContact O-N 2.92Å; I27-G30 PolarHBondContact O-N 3.44Å; G30-S33 PolarHBondContact O-OG 3.4Å; G30-A34 WeakPolarHBondContact O-CB 3.43Å; G30-A34 PolarHBondContact O-N 3.2Å
31M97.2Very high94.4Very high139 Ų13984.4 Ų84.469%0.68548%0.478SS*.Hα-helixtrans-64.1-42.9177.9-71.118064.800112.1I27 G35I27-M31 HydrophobicContact CG2-CG 4.46Å; I27-M31 HydrophobicContact CG2-SD 3.98Å; I27-M31 WeakPolarHBondContact O-CB 3.44Å; I27-M31 WeakPolarHBondContact O-CG 3.42Å; I27-M31 PolarHBondContact O-N 3.27Å; M31-G35 PolarHBondContact O-N 3.01Å
32G96.9Very high94.4Very high35 Ų3581 Ų8136%0.36147%0.465SS..Hα-helixtrans-62.9-48.4178.400000112C28 G35 L36C28-G32 WeakPolarHBondContact O-CA 3.46Å; C28-G32 PolarHBondContact O-N 3.43Å; G32-G35 PolarHBondContact O-N 3.39Å; G32-L36 WeakPolarHBondContact O-CB 3.45Å; G32-L36 VanDerWaalsContact O-CG 3.24Å; G32-L36 WeakPolarHBondContact O-CG 3.41Å; G32-L36 PolarHBondContact O-N 3.29Å
33S95.6Very high94.1Very high69 Ų6983.2 Ų83.248%0.48347%0.472SS..Hα-helixtrans-64.4-41.1178.557.40000112.6L29 G30 L36 Y37L29-S33 VanDerWaalsContact O-CB 3.24Å; L29-S33 WeakPolarHBondContact O-CB 3.24Å; L29-S33 PolarHBondContact O-N 2.97Å; L29-S33 PolarHBondContact O-OG 3.2Å; G30-S33 PolarHBondContact O-OG 3.4Å; S33-L36 PolarHBondContact O-N 3.45Å; S33-Y37 WeakPolarHBondContact O-CB 3.24Å; S33-Y37 PolarHBondContact O-N 2.93Å
34A95.9Very high93.7Very high53 Ų5385.8 Ų85.844%0.43848%0.475SS..Hα-helixtrans-61.5-46.8174.600000111.9G30 Y37 L38G30-A34 WeakPolarHBondContact O-CB 3.43Å; G30-A34 PolarHBondContact O-N 3.2Å; A34-Y37 PolarHBondContact O-N 3.44Å; A34-L38 WeakPolarHBondContact O-CG 3.06Å; A34-L38 PolarHBondContact O-N 3.36Å
35G96.3Very high93.3Very high39 Ų3983.7 Ų83.740%0.40247%0.465SS..Hα-helixtrans-62.2-44.3177.300000112.6M31 G32 Y37 L38 L39M31-G35 PolarHBondContact O-N 3.01Å; G32-G35 PolarHBondContact O-N 3.39Å; G35-Y37 VanDerWaalsContact C-N 3.33Å; G35-Y37 PolarHBondContact O-N 2.9Å; G35-L38 PolarHBondContact O-N 2.97Å; G35-L39 WeakPolarHBondContact O-CB 3.21Å; G35-L39 PolarHBondContact O-N 2.74Å
36L95.2Very high92.9Very high120 Ų12082.8 Ų82.863%0.62845%0.454SS*.Hα-helixtrans-62-40176-73.5172.3000112.1G32 S33 L39 R40G32-L36 WeakPolarHBondContact O-CB 3.45Å; G32-L36 VanDerWaalsContact O-CG 3.24Å; G32-L36 WeakPolarHBondContact O-CG 3.41Å; G32-L36 PolarHBondContact O-N 3.29Å; S33-L36 PolarHBondContact O-N 3.45Å; L36-L39 PolarHBondContact O-N 3.32Å; L36-R40 VanDerWaalsContact O-CB 3.29Å; L36-R40 WeakPolarHBondContact O-CB 3.49Å; L36-R40 PolarHBondContact O-N 3.4Å
37Y93Very high92.4Very high119 Ų11981.8 Ų81.847%0.46746%0.455SS..Hα-helixtrans-66.4-44.1178-177.3-109.9000112.1S33 A34 G35 R40 L41 F70S33-Y37 WeakPolarHBondContact O-CB 3.24Å; S33-Y37 PolarHBondContact O-N 2.93Å; A34-Y37 PolarHBondContact O-N 3.44Å; G35-Y37 VanDerWaalsContact C-N 3.33Å; G35-Y37 PolarHBondContact O-N 2.9Å; Y37-R40 PolarHBondContact O-N 2.67Å; Y37-L41 PolarHBondContact O-N 2.79Å; Y37-F70 HydrophobicContact CE2-CB 4.39Å
38L93.3Very high91.9Very high114 Ų11479.7 Ų79.760%0.59745%0.447SS*.Hα-helixtrans-63-43.6175.5-70.8175.2000111.8A34 G35 R40 L41 A42A34-L38 WeakPolarHBondContact O-CG 3.06Å; A34-L38 PolarHBondContact O-N 3.36Å; G35-L38 PolarHBondContact O-N 2.97Å; L38-R40 VanDerWaalsContact C-N 3.31Å; L38-R40 PolarHBondContact O-N 3.34Å; L38-L41 PolarHBondContact O-N 2.96Å; L38-A42 WeakPolarHBondContact O-CB 3.4Å; L38-A42 PolarHBondContact O-N 3.35Å
39L93.9Very high91.4Very high98 Ų9877.8 Ų77.851%0.51343%0.434SS..Hα-helixtrans-59.6-44.3175.4178.562.6000111.3G35 L36 L41 A42 L43G35-L39 WeakPolarHBondContact O-CB 3.21Å; G35-L39 PolarHBondContact O-N 2.74Å; L36-L39 PolarHBondContact O-N 3.32Å; L39-L41 VanDerWaalsContact C-N 3.35Å; L39-L41 PolarHBondContact O-N 3.29Å; L39-A42 PolarHBondContact O-N 3.31Å; L39-L43 HydrophobicContact CD1-CD1 3.75Å; L39-L43 HydrophobicContact CD1-CG 4.14Å; L39-L43 HydrophobicContact CG-CD1 4.02Å; L39-L43 WeakPolarHBondContact O-CG 3.42Å; L39-L43 PolarHBondContact O-N 3.21Å
40R91.5Very high91Very high53 Ų5380.8 Ų80.820%0.244%0.437CS..Hα-helixtrans-62.4-41.6176.7176.6-94.3-175.1-158.4-12.3111.8L36 Y37 L38 R44 Y68 K69 F70L36-R40 VanDerWaalsContact O-CB 3.29Å; L36-R40 WeakPolarHBondContact O-CB 3.49Å; L36-R40 PolarHBondContact O-N 3.4Å; Y37-R40 PolarHBondContact O-N 2.67Å; L38-R40 VanDerWaalsContact C-N 3.31Å; L38-R40 PolarHBondContact O-N 3.34Å; R40-R44 WeakPolarHBondContact O-CB 3.37Å; R40-R44 PolarHBondContact O-N 3.46Å; R40-Y68 PolarHBondContact NH1-O 3.05Å; R40-Y68 PolarHBondContact NH2-O 3.46Å; R40-K69 PolarHBondContact NH2-O 3.36Å; R40-F70 VanDerWaalsContact NH2-CA 3.31Å
41L90.1Very high90.4Very high62 Ų6281.5 Ų81.533%0.32543%0.432SS..Hα-helixtrans-64.4-47.1175.9-17469.1000110.7Y37 L38 L39 L43 S45Y37-L41 PolarHBondContact O-N 2.79Å; L38-L41 PolarHBondContact O-N 2.96Å; L39-L41 VanDerWaalsContact C-N 3.35Å; L39-L41 PolarHBondContact O-N 3.29Å; L41-L43 VanDerWaalsContact C-N 3.3Å; L41-L43 PolarHBondContact O-N 2.84Å; L41-S45 WeakPolarHBondContact O-CB 3.29Å; L41-S45 PolarHBondContact O-N 3.49Å
42A89.9Confident89.8Confident29 Ų2984.7 Ų84.724%0.2444%0.437CS..Hα-helixtrans-56.4-43.517800000112.1L38 L39 W50L38-A42 WeakPolarHBondContact O-CB 3.4Å; L38-A42 PolarHBondContact O-N 3.35Å; L39-A42 PolarHBondContact O-N 3.31Å; A42-W50 HydrophobicContact CB-CZ2 4.18Å; A42-W50 PolarHBondContact O-NE1 3.22Å
43L87.6Confident89.2Confident116 Ų11692.2 Ų92.261%0.60746%0.459SS*.Hα-helixtrans-86.6-26.9-174.6-65175.4000114.7L39 L41L39-L43 HydrophobicContact CD1-CD1 3.75Å; L39-L43 HydrophobicContact CD1-CG 4.14Å; L39-L43 HydrophobicContact CG-CD1 4.02Å; L39-L43 WeakPolarHBondContact O-CG 3.42Å; L39-L43 PolarHBondContact O-N 3.21Å; L41-L43 VanDerWaalsContact C-N 3.3Å; L41-L43 PolarHBondContact O-N 2.84Å
44R84.4Confident88.6Confident175 Ų17595.7 Ų95.766%0.6647%0.473SS*.Hα-helixtrans-119.2-4.9-172-62.4-168.6177.6-176.70.7114.9R40R40-R44 WeakPolarHBondContact O-CB 3.37Å; R40-R44 PolarHBondContact O-N 3.46Å
45S84.3Confident87.8Confident11 Ų1194.6 Ų94.68%0.07746%0.459CS..  trans-78.9137.3174.4-143.90000110.6L41 D47 V48L41-S45 WeakPolarHBondContact O-CB 3.29Å; L41-S45 PolarHBondContact O-N 3.49Å; S45-D47 PolarHBondContact O-N 3.29Å; S45-D47 PolarHBondContact OG-OD2 2.89Å; S45-V48 PolarHBondContact O-N 2.94Å
46P85.6Confident87.2Confident16 Ų1696.4 Ų96.410%0.10446%0.464CS..THydrogen-bonded Turntrans-68.4-15.917423.9-26.3000113.2V48 P58 W59 M62 Y68P46-V48 PolarHBondContact O-N 3.43Å; P46-P58 WeakPolarHBondContact O-CB 3.09Å; P46-P58 WeakPolarHBondContact O-CG 3.37Å; P46-W59 HydrophobicContact CB-CB 4.41Å; P46-M62 HydrophobicContact CB-CE 3.45Å; P46-M62 VanDerWaalsContact CB-CE 3.45Å; P46-M62 HydrophobicContact CB-SD 3.8Å; P46-M62 HydrophobicContact CG-CE 3.78Å; P46-M62 HydrophobicContact CG-SD 3.92Å; P46-Y68 HydrophobicContact CG-CD2 4.27Å; P46-Y68 HydrophobicContact CG-CE2 4.36Å
47D83.9Confident86.7Confident133 Ų13394.9 Ų94.971%0.71145%0.453SS*.THydrogen-bonded Turntrans-75-16.4-179-44.4-65.5000112.7S45S45-D47 PolarHBondContact O-N 3.29Å; S45-D47 PolarHBondContact OG-OD2 2.89Å
48V86.3Confident86.2Confident55 Ų5589.8 Ų89.833%0.33344%0.435SS..  trans-108.4111.9-177.3-174.10000109.4S45 P46 W50S45-V48 PolarHBondContact O-N 2.94Å; P46-V48 PolarHBondContact O-N 3.43Å; V48-W50 HydrophobicContact CG1-CD2 4.39Å; V48-W50 HydrophobicContact CG1-CZ2 3.87Å
49C85.9Confident85.7Confident41 Ų4190.9 Ų90.928%0.27743%0.432SS..  trans-97.9105.1177.8-177.90000111.6D51 P58C49-D51 PolarHBondContact SG-O 3Å; C49-P58 HydrophobicContact CB-CG 3.68Å
50W86.7Confident85.1Confident183 Ų18391 Ų9169%0.69343%0.433SS*.SBendtrans-84.6-35171.4-64106000113.3A42 V48A42-W50 HydrophobicContact CB-CZ2 4.18Å; A42-W50 PolarHBondContact O-NE1 3.22Å; V48-W50 HydrophobicContact CG1-CD2 4.39Å; V48-W50 HydrophobicContact CG1-CZ2 3.87Å
51D85.1Confident84.6Confident51 Ų5195.2 Ų95.227%0.27345%0.449SS..  trans-101.494179.5-179.22.4000110.4C49 K53 N54 N55C49-D51 PolarHBondContact SG-O 3Å; D51-K53 VanDerWaalsContact C-N 3.33Å; D51-K53 PolarHBondContact OD1-N 2.93Å; D51-N54 PolarHBondContact OD1-N 3.39Å; D51-N54 WeakPolarHBondContact OD2-CB 3.37Å; D51-N54 PolarHBondContact OD2-ND2 3.48Å; D51-N55 CarbonylContact O-C 3.27Å; D51-N55 VanDerWaalsContact O-C 3.27Å
52R83.6Confident84.1Confident207 Ų20795.5 Ų95.578%0.78145%0.449SS*.THydrogen-bonded Turntrans-80.2-9.4179.7-71.1178.7165.8173.6-5.3114.4
53K84.3Confident83.7Confident193 Ų19396.6 Ų96.684%0.83946%0.455SS*.THydrogen-bonded Turntrans-103.3-48.6-169.7-72.6-171.8177.7-175.20112.9D51D51-K53 VanDerWaalsContact C-N 3.33Å; D51-K53 PolarHBondContact OD1-N 2.93Å
54N83.9Confident83.5Confident142 Ų14293.5 Ų93.576%0.75944%0.442SS*.THydrogen-bonded Turntrans-92.3-33.4-175-51.1-62.7000112.3D51D51-N54 PolarHBondContact OD1-N 3.39Å; D51-N54 WeakPolarHBondContact OD2-CB 3.37Å; D51-N54 PolarHBondContact OD2-ND2 3.48Å
55N79.9Confident83.5Confident29 Ų2988.9 Ų88.916%0.15543%0.43CS..  trans-147.483.7174.1-17821.9000111.2D51 E57 R61D51-N55 CarbonylContact O-C 3.27Å; D51-N55 VanDerWaalsContact O-C 3.27Å; N55-E57 PolarHBondContact ND2-O 3.21Å; N55-E57 PolarHBondContact O-N 3.1Å; N55-E57 VanDerWaalsContact O-N 3.14Å; N55-E57 PolarHBondContact OD1-N 3.27Å; N55-E57 PolarHBondContact OD1-O 3.34Å; N55-R61 WeakPolarHBondContact ND2-CG 3.36Å; N55-R61 PolarHBondContact ND2-NE 3.42Å; N55-R61 PolarHBondContact O-NH2 3.27Å; N55-R61 VanDerWaalsContact O-NH2 3.13Å
56P82.6Confident83.5Confident77 Ų7792.3 Ų92.350%0.545%0.448SS..SBendtrans-65.7-9.6179.727.7-34.3000113.7P58P56-P58 WeakPolarHBondContact O-CD 3.39Å
57E85.4Confident83.6Confident88 Ų8896 Ų9641%0.41146%0.463SS..  trans-11589.6180-68.9-169.1153.700109.8N55 W59 N60N55-E57 PolarHBondContact ND2-O 3.21Å; N55-E57 PolarHBondContact O-N 3.1Å; N55-E57 VanDerWaalsContact O-N 3.14Å; N55-E57 PolarHBondContact OD1-N 3.27Å; N55-E57 PolarHBondContact OD1-O 3.34Å; E57-W59 HydrophobicContact CB-CD2 4.28Å; E57-W59 HydrophobicContact CB-CH2 4.38Å; E57-W59 HydrophobicContact CB-CZ2 3.69Å; E57-W59 HydrophobicContact CG-CH2 4.22Å; E57-W59 HydrophobicContact CG-CZ2 3.52Å; E57-W59 PolarHBondContact O-N 3.16Å; E57-N60 VanDerWaalsContact CB-ND2 3.35Å; E57-N60 WeakPolarHBondContact CB-ND2 3.39Å; E57-N60 WeakPolarHBondContact O-CB 3.27Å; E57-N60 PolarHBondContact O-N 2.91Å; E57-N60 PolarHBondContact OE2-ND2 3.09Å
58P82.1Confident83.6Confident13 Ų1394 Ų948%0.08445%0.447CS..G310 helixtrans-59.7-26.7-169.7-24.334.6000113.9P46 C49 P56 N60 R61P46-P58 WeakPolarHBondContact O-CB 3.09Å; P46-P58 WeakPolarHBondContact O-CG 3.37Å; C49-P58 HydrophobicContact CB-CG 3.68Å; P56-P58 WeakPolarHBondContact O-CD 3.39Å; P58-N60 VanDerWaalsContact C-N 3.26Å; P58-N60 PolarHBondContact O-N 3.3Å; P58-R61 WeakPolarHBondContact O-CG 3.4Å; P58-R61 PolarHBondContact O-N 2.9Å
59W82.1Confident83.6Confident137 Ų13796.1 Ų96.152%0.51945%0.451SS..G310 helixtrans-66.7-20.1176.952.579.8000114P46 E57 R61 M62P46-W59 HydrophobicContact CB-CB 4.41Å; E57-W59 HydrophobicContact CB-CD2 4.28Å; E57-W59 HydrophobicContact CB-CH2 4.38Å; E57-W59 HydrophobicContact CB-CZ2 3.69Å; E57-W59 HydrophobicContact CG-CH2 4.22Å; E57-W59 HydrophobicContact CG-CZ2 3.52Å; E57-W59 PolarHBondContact O-N 3.16Å; W59-R61 PolarHBondContact O-N 2.91Å; W59-M62 PolarHBondContact O-N 3.42Å
60N82.2Confident83.6Confident100 Ų100101.3 Ų101.354%0.53547%0.469SS..G310 helixtrans-64-15.5178.6-70-11.4000113.2E57 P58E57-N60 VanDerWaalsContact CB-ND2 3.35Å; E57-N60 WeakPolarHBondContact CB-ND2 3.39Å; E57-N60 WeakPolarHBondContact O-CB 3.27Å; E57-N60 PolarHBondContact O-N 2.91Å; E57-N60 PolarHBondContact OE2-ND2 3.09Å; P58-N60 VanDerWaalsContact C-N 3.26Å; P58-N60 PolarHBondContact O-N 3.3Å
61R79.9Confident83.6Confident142 Ų14298.5 Ų98.554%0.53647%0.467SS..G310 helixtrans-91.9-10.7178.4-35.4178-160.5-165.1-0.6112.8N55 P58 W59N55-R61 WeakPolarHBondContact ND2-CG 3.36Å; N55-R61 PolarHBondContact ND2-NE 3.42Å; N55-R61 PolarHBondContact O-NH2 3.27Å; N55-R61 VanDerWaalsContact O-NH2 3.13Å; P58-R61 WeakPolarHBondContact O-CG 3.4Å; P58-R61 PolarHBondContact O-N 2.9Å; W59-R61 PolarHBondContact O-N 2.91Å
62M80.4Confident83.7Confident67 Ų6797.5 Ų97.533%0.3347%0.466SS..  trans-89.1122.6-170.8-69.3-172.9-178.400110.8P46 W59P46-M62 HydrophobicContact CB-CE 3.45Å; P46-M62 VanDerWaalsContact CB-CE 3.45Å; P46-M62 HydrophobicContact CB-SD 3.8Å; P46-M62 HydrophobicContact CG-CE 3.78Å; P46-M62 HydrophobicContact CG-SD 3.92Å; W59-M62 PolarHBondContact O-N 3.42Å
63S82Confident83.8Confident53 Ų5394 Ų9437%0.37147%0.468SS..  trans-75.8150.2167.1-1790000110.1N65 D66S63-N65 PolarHBondContact O-N 2.98Å; S63-N65 PolarHBondContact OG-N 3.49Å; S63-D66 WeakPolarHBondContact CB-OD2 3.08Å; S63-D66 PolarHBondContact N-OD2 2.74Å; S63-D66 WeakPolarHBondContact O-CB 3.33Å; S63-D66 PolarHBondContact O-N 3.07Å
64P82.9Confident83.9Confident50 Ų5090.5 Ų90.533%0.32547%0.467SS..THydrogen-bonded Turntrans-53.6-27.1170.7-25.934.1000113.7D66 L80 K82P64-D66 VanDerWaalsContact C-N 3.31Å; P64-L80 HydrophobicContact CB-CB 4.29Å; P64-L80 VanDerWaalsContact O-CD1 3.27Å; P64-L80 WeakPolarHBondContact O-CD1 3.09Å; P64-K82 HydrophobicContact CG-CB 3.79Å; P64-K82 HydrophobicContact CG-CG 3.88Å
65N84.3Confident84Confident79 Ų7986.8 Ų86.842%0.42245%0.45SS..THydrogen-bonded Turntrans-83-8.1179-64.3-15.1000113.3S63 Q67 Y77 L80S63-N65 PolarHBondContact O-N 2.98Å; S63-N65 PolarHBondContact OG-N 3.49Å; N65-Q67 PolarHBondContact O-N 3.01Å; N65-Y77 WeakPolarHBondContact CA-O 3.49Å; N65-Y77 PolarHBondContact OD1-O 3.14Å; N65-L80 PolarHBondContact OD1-O 2.52Å
66D85.6Confident84.4Confident82 Ų8288.8 Ų88.844%0.43946%0.461SS..  trans-80.1112.3-178.2-68.6-27.5000110.6S63 P64 Y68S63-D66 WeakPolarHBondContact CB-OD2 3.08Å; S63-D66 PolarHBondContact N-OD2 2.74Å; S63-D66 WeakPolarHBondContact O-CB 3.33Å; S63-D66 PolarHBondContact O-N 3.07Å; P64-D66 VanDerWaalsContact C-N 3.31Å; D66-Y68 PolarHBondContact O-N 2.84Å; D66-Y68 VanDerWaalsContact O-N 3.09Å
67Q86.1Confident84.6Confident93 Ų9386.3 Ų86.344%0.43544%0.441SS..  trans-79.792.5172.6-174.3-178.2-53.200110.2N65 K69 A72 Y77N65-Q67 PolarHBondContact O-N 3.01Å; Q67-K69 VanDerWaalsContact C-N 3.3Å; Q67-K69 WeakPolarHBondContact CG-O 3.35Å; Q67-K69 PolarHBondContact NE2-O 2.87Å; Q67-A72 HydrophobicContact CG-CB 4.29Å; Q67-Y77 HydrophobicContact CB-CD1 4.15Å; Q67-Y77 HydrophobicContact CB-CD2 3.81Å; Q67-Y77 HydrophobicContact CB-CE1 4.35Å; Q67-Y77 HydrophobicContact CB-CE2 4.06Å; Q67-Y77 HydrophobicContact CB-CG 3.87Å; Q67-Y77 HydrophobicContact CG-CD2 3.76Å; Q67-Y77 HydrophobicContact CG-CE2 3.59Å; Q67-Y77 HydrophobicContact CG-CG 4.32Å
68Y84.8Confident84.6Confident93 Ų9391 Ų9137%0.36546%0.461SS..  trans-77.9-15.1172.684.3-84.1000112.9R40 P46 D66R40-Y68 PolarHBondContact NH1-O 3.05Å; R40-Y68 PolarHBondContact NH2-O 3.46Å; P46-Y68 HydrophobicContact CG-CD2 4.27Å; P46-Y68 HydrophobicContact CG-CE2 4.36Å; D66-Y68 PolarHBondContact O-N 2.84Å; D66-Y68 VanDerWaalsContact O-N 3.09Å
69K86.4Confident84.8Confident98 Ų9898 Ų9843%0.42649%0.49SS..SBendtrans-78.1146.3177.1-66-177.5-176.9174.30111.2R40 Q67 L71R40-K69 PolarHBondContact NH2-O 3.36Å; Q67-K69 VanDerWaalsContact C-N 3.3Å; Q67-K69 WeakPolarHBondContact CG-O 3.35Å; Q67-K69 PolarHBondContact NE2-O 2.87Å; K69-L71 VanDerWaalsContact C-N 3.27Å; K69-L71 PolarHBondContact O-N 2.97Å
70F85.5Confident85Confident150 Ų15095 Ų9566%0.65848%0.483SS*.SBendtrans-64-38.1-177.9-177.2-101.7000111.5Y37 R40Y37-F70 HydrophobicContact CE2-CB 4.39Å; R40-F70 VanDerWaalsContact NH2-CA 3.31Å
71L86.9Confident85Confident125 Ų12599.2 Ų99.265%0.65450%0.497SS*.  trans-136.6135.1175.2-174.166.9000109.4K69 V73K69-L71 VanDerWaalsContact C-N 3.27Å; K69-L71 PolarHBondContact O-N 2.97Å; L71-V73 HydrophobicContact CD2-CG2 3.97Å; L71-V73 HydrophobicContact CG-CG2 4.16Å
72A86.4Confident85Confident29 Ų2997.4 Ų97.424%0.2449%0.493CS..  trans-105.5108.2170.700000108.4Q67 Y77Q67-A72 HydrophobicContact CG-CB 4.29Å; A72-Y77 HydrophobicContact CB-CD2 3.9Å; A72-Y77 HydrophobicContact CB-CE2 3.56Å
73V85.9Confident85.1Confident135 Ų135101.7 Ų101.782%0.81852%0.517SS*.SBendtrans-85.8-39.4-178-179.30000111.2L71L71-V73 HydrophobicContact CD2-CG2 3.97Å; L71-V73 HydrophobicContact CG-CG2 4.16Å
74S86.1Confident84.8Confident119 Ų119108 Ų10883%0.83253%0.533SS*.SBendtrans-119.1-16.1-172.2-1770000114
75T86.6Confident84.5Confident63 Ų63110.4 Ų110.439%0.38755%0.548SS..  trans-104.3118.4-169.6-51.30000110.4Y77 L80T75-Y77 HydrophobicContact CG2-CD2 4.11Å; T75-Y77 HydrophobicContact CG2-CE2 3.93Å; T75-Y77 HydrophobicContact CG2-CG 4.49Å; T75-Y77 WeakPolarHBondContact O-CD2 3.33Å; T75-Y77 PolarHBondContact O-N 3.28Å; T75-L80 HydrophobicContact CG2-CD1 3.89Å; T75-L80 HydrophobicContact CG2-CG 4.48Å
76D88.3Confident84Confident72 Ų72113 Ų11339%0.38556%0.562SS.*  trans-87.392.4171.4-171.1-9.4000109.8K78 K79D76-K78 PolarHBondContact O-N 2.91Å; D76-K78 VanDerWaalsContact O-N 3.16Å; D76-K78 PolarHBondContact OD1-N 3.04Å; D76-K79 HydrophobicContact CB-CD 4.37Å; D76-K79 PolarHBondContact O-N 3.07Å; D76-K79 VanDerWaalsContact O-N 3.1Å; D76-K79 WeakPolarHBondContact OD2-CD 3.35Å; D76-K79 WeakPolarHBondContact OD2-CE 3.42Å; D76-K79 IonicContact OD2-NZ 2.74Å; D76-K79 PolarHBondContact OD2-NZ 3.29Å
77Y85.9Confident82.9Confident25 Ų25121.4 Ų121.410%0.09860%0.595CS.*G310 helixtrans-60.3-26-176.2-76.3-94.8000113.2N65 Q67 A72 T75 K79 L80N65-Y77 WeakPolarHBondContact CA-O 3.49Å; N65-Y77 PolarHBondContact OD1-O 3.14Å; Q67-Y77 HydrophobicContact CB-CD1 4.15Å; Q67-Y77 HydrophobicContact CB-CD2 3.81Å; Q67-Y77 HydrophobicContact CB-CE1 4.35Å; Q67-Y77 HydrophobicContact CB-CE2 4.06Å; Q67-Y77 HydrophobicContact CB-CG 3.87Å; Q67-Y77 HydrophobicContact CG-CD2 3.76Å; Q67-Y77 HydrophobicContact CG-CE2 3.59Å; Q67-Y77 HydrophobicContact CG-CG 4.32Å; A72-Y77 HydrophobicContact CB-CD2 3.9Å; A72-Y77 HydrophobicContact CB-CE2 3.56Å; T75-Y77 HydrophobicContact CG2-CD2 4.11Å; T75-Y77 HydrophobicContact CG2-CE2 3.93Å; T75-Y77 HydrophobicContact CG2-CG 4.49Å; T75-Y77 WeakPolarHBondContact O-CD2 3.33Å; T75-Y77 PolarHBondContact O-N 3.28Å; Y77-K79 PolarHBondContact O-N 3.13Å; Y77-L80 HydrophobicContact CD1-CD1 3.62Å; Y77-L80 HydrophobicContact CE1-CD1 4.14Å; Y77-L80 HydrophobicContact CG-CD1 4.08Å; Y77-L80 PolarHBondContact O-N 3.04Å
78K85.4Confident82.7Confident187 Ų187122.9 Ų122.981%0.81360%0.603SS**G310 helixtrans-70.2-19.1-180-62.6-178.4179-177.80113.2D76D76-K78 PolarHBondContact O-N 2.91Å; D76-K78 VanDerWaalsContact O-N 3.16Å; D76-K78 PolarHBondContact OD1-N 3.04Å
79K87.8Confident82.6Confident160 Ų160124.4 Ų124.470%0.69662%0.616SS**G310 helixtrans-102.7-2.5-178.4-64.5179.5-175141.40112.7D76 Y77 K81D76-K79 HydrophobicContact CB-CD 4.37Å; D76-K79 PolarHBondContact O-N 3.07Å; D76-K79 VanDerWaalsContact O-N 3.1Å; D76-K79 WeakPolarHBondContact OD2-CD 3.35Å; D76-K79 WeakPolarHBondContact OD2-CE 3.42Å; D76-K79 IonicContact OD2-NZ 2.74Å; D76-K79 PolarHBondContact OD2-NZ 3.29Å; Y77-K79 PolarHBondContact O-N 3.13Å; K79-K81 PolarHBondContact O-N 2.88Å
80L86Confident82.4Confident72 Ų72125.9 Ų125.938%0.37763%0.626SS.*  trans-68.4127.4178.3-76.2168.1000109.4P64 N65 T75 Y77P64-L80 HydrophobicContact CB-CB 4.29Å; P64-L80 VanDerWaalsContact O-CD1 3.27Å; P64-L80 WeakPolarHBondContact O-CD1 3.09Å; N65-L80 PolarHBondContact OD1-O 2.52Å; T75-L80 HydrophobicContact CG2-CD1 3.89Å; T75-L80 HydrophobicContact CG2-CG 4.48Å; Y77-L80 HydrophobicContact CD1-CD1 3.62Å; Y77-L80 HydrophobicContact CE1-CD1 4.14Å; Y77-L80 HydrophobicContact CG-CD1 4.08Å; Y77-L80 PolarHBondContact O-N 3.04Å
81K82.5Confident82.2Confident189 Ų189124.5 Ų124.582%0.82262%0.624SS**  trans-93.4147.1171.8-65.9-173.1-179.1-178.40109.1K79 D83K79-K81 PolarHBondContact O-N 2.88Å; K81-D83 PolarHBondContact O-N 3.05Å
82K80.1Confident82Confident105 Ų105124.4 Ų124.446%0.45762%0.623SS.*  trans-69.9112.6170.9-166.7178.9178.2165.80108.5P64 R84 D86P64-K82 HydrophobicContact CG-CB 3.79Å; P64-K82 HydrophobicContact CG-CG 3.88Å; K82-R84 WeakPolarHBondContact CE-O 3.46Å; K82-R84 WeakPolarHBondContact CG-O 3.42Å; K82-D86 IonicContact NZ-OD1 2.52Å; K82-D86 PolarHBondContact NZ-OD1 3.05Å; K82-D86 IonicContact NZ-OD2 3.04Å; K82-D86 PolarHBondContact NZ-OD2 3.27Å
83D81Confident81.7Confident157 Ų157130.8 Ų130.884%0.8465%0.648SS**  trans-85-18.7-178.2-168.147.7000112.6K81K81-D83 PolarHBondContact O-N 3.05Å
84R76.6Confident81.4Confident186 Ų186130.5 Ų130.570%0.70264%0.636SS**SBendtrans-116.1147.2-173.2-58.3-172.5-177.2-173.60.4111.9K82K82-R84 WeakPolarHBondContact CE-O 3.46Å; K82-R84 WeakPolarHBondContact CG-O 3.42Å
85P76.9Confident81Confident99 Ų99131.4 Ų131.464%0.64362%0.621SS**  trans-61.9157.6174.36.5-4.1000112.2
86D73Confident80.5Confident135 Ų135137.1 Ų137.172%0.72264%0.64SS**  trans-63.9135166.1-74.5-77000110.1K82K82-D86 IonicContact NZ-OD1 2.52Å; K82-D86 PolarHBondContact NZ-OD1 3.05Å; K82-D86 IonicContact NZ-OD2 3.04Å; K82-D86 PolarHBondContact NZ-OD2 3.27Å
87F62.8Low79.8Confident258 Ų258143 Ų143100%1.13266%0.664SS**  trans-103.60174.3-71.6-77.7000110.3

Retrieved 87 of 87 residues in 143.9 ms (Link to these results)