A0A087X2G9_HUMAN Loading...

Outer dynein arm docking complex subunit 4

AlphaFold DB , UniProt , Accession A0A087X2G9, Species HUMAN (Homo sapiens, Human), Gene ODAD4, Length 85 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M36.2Very low50.2Low232 Ų232144.2 Ų144.2100%1.14378%0.784SS**  0115.60-66.7-179.2-170.700104.9
2S45.3Very low53.4Low122 Ų122139.6 Ų139.685%0.85377%0.765SS**  trans-89.6104.4-179.8-52.90000106.3P4S2-P4 VanDerWaalsContact O-CD 3.25Å; S2-P4 WeakPolarHBondContact O-CD 3.36Å
3D40.9Very low56.3Low139 Ų139131.8 Ų131.874%0.74372%0.719SS**  trans-63120.5174.7-65.1-67.7000109.5E5D3-E5 VanDerWaalsContact C-N 3.32Å
4P52.8Low58.9Low126 Ų126128.4 Ų128.482%0.81871%0.707SS**  trans-100.835.4169.838.3-25000110.1S2S2-P4 VanDerWaalsContact O-CD 3.25Å; S2-P4 WeakPolarHBondContact O-CD 3.36Å
5E46.5Very low61.2Low177 Ų177123.5 Ų123.583%0.82769%0.685SS**  trans-109.296.2179.3-75.3-171.576.100109.5D3D3-E5 VanDerWaalsContact C-N 3.32Å
6G47.9Very low63.2Low64 Ų64118.6 Ų118.666%0.6665%0.653SS**  trans-171.3-32.4173.800000117.6
7E48.3Very low65.1Low166 Ų166112.9 Ų112.978%0.77662%0.621SS**THydrogen-bonded Turntrans-111.358.5-165-73.8-168.186.400114.6
8T44.4Very low66.7Low145 Ų145109.7 Ų109.789%0.8961%0.612SS**THydrogen-bonded Turntrans-143.422.9158-28.60000113.4R10T8-R10 PolarHBondContact O-N 2.92Å
9L52.4Low68.2Low149 Ų149107.6 Ų107.678%0.7860%0.597SS**SBendtrans-78.7113.3148.9-88.3121.6000106.2S11L9-S11 VanDerWaalsContact C-N 3.26Å; L9-S11 PolarHBondContact O-N 3.18Å; L9-S11 PolarHBondContact O-OG 2.91Å
10R60.9Low69.6Low224 Ų224102.2 Ų102.285%0.84557%0.567SS**  trans-54.393173.7-174.1-179.7-173.4140.40.8108.2T8T8-R10 PolarHBondContact O-N 2.92Å
11S76.3Confident70.8Confident42 Ų42102.5 Ų102.529%0.29456%0.564SS.*  trans-67.8143-179.9-69.40000108.3L9 Y16 L42L9-S11 VanDerWaalsContact C-N 3.26Å; L9-S11 PolarHBondContact O-N 3.18Å; L9-S11 PolarHBondContact O-OG 2.91Å; S11-Y16 WeakPolarHBondContact O-CE2 3.32Å; S11-L42 WeakPolarHBondContact O-CD1 3.42Å
12T89.3Confident73.7Confident89 Ų8997.1 Ų97.155%0.54653%0.531SS..  trans-81.9162.8-177.958.40000110.5S15 Y16T12-S15 WeakPolarHBondContact O-CA 3.48Å; T12-S15 VanDerWaalsContact O-CB 3.27Å; T12-S15 WeakPolarHBondContact O-CB 3.47Å; T12-S15 PolarHBondContact O-N 2.97Å; T12-Y16 PolarHBondContact O-N 2.82Å; T12-Y16 VanDerWaalsContact O-N 3.09Å
13F91.1Very high76.1Confident38 Ų3891.9 Ų91.917%0.16749%0.494CS..Hα-helixtrans-50.5-48.7176.7173.2-86.4000113S15 Y16 M17 A39 L42 Q43 D46 C49F13-S15 PolarHBondContact O-N 2.67Å; F13-Y16 PolarHBondContact O-N 3.37Å; F13-M17 HydrophobicContact CD1-CG 4.1Å; F13-M17 HydrophobicContact CE1-CG 3.61Å; F13-M17 HydrophobicContact CE1-SD 4.46Å; F13-M17 HydrophobicContact CE2-CG 4.28Å; F13-M17 HydrophobicContact CZ-CG 3.71Å; F13-M17 HydrophobicContact CZ-SD 4.02Å; F13-M17 WeakPolarHBondContact O-CG 3.37Å; F13-M17 PolarHBondContact O-N 3.43Å; F13-A39 HydrophobicContact CD2-CB 3.83Å; F13-A39 VanDerWaalsContact CD2-O 3.25Å; F13-A39 WeakPolarHBondContact CD2-O 3.26Å; F13-A39 HydrophobicContact CE2-CB 3.83Å; F13-L42 HydrophobicContact CB-CB 4.26Å; F13-L42 HydrophobicContact CB-CD1 4.22Å; F13-L42 VanDerWaalsContact N-CD1 3.35Å; F13-Q43 HydrophobicContact CD2-CB 3.58Å; F13-Q43 HydrophobicContact CE2-CB 3.7Å; F13-Q43 HydrophobicContact CG-CB 4.33Å; F13-D46 HydrophobicContact CE2-CB 4.08Å; F13-D46 HydrophobicContact CZ-CB 3.96Å; F13-C49 HydrophobicContact CE2-CB 4.34Å; F13-C49 HydrophobicContact CZ-CB 4.33Å
14P92Very high78.7Confident85 Ų8588.2 Ų88.255%0.55247%0.47SS*.Hα-helixtrans-62.1-31.9177.1-22.233.9000113.4M17 A18P14-M17 PolarHBondContact O-N 3.33Å; P14-A18 WeakPolarHBondContact O-CB 3.47Å; P14-A18 PolarHBondContact O-N 2.92Å
15S93.3Very high80.7Confident55 Ų5589.3 Ų89.339%0.38547%0.468SS..Hα-helixtrans-66.6-45.2178.1-167.60000111.3T12 F13 M17 A18 E19T12-S15 WeakPolarHBondContact O-CA 3.48Å; T12-S15 VanDerWaalsContact O-CB 3.27Å; T12-S15 WeakPolarHBondContact O-CB 3.47Å; T12-S15 PolarHBondContact O-N 2.97Å; F13-S15 PolarHBondContact O-N 2.67Å; S15-M17 VanDerWaalsContact C-N 3.34Å; S15-A18 PolarHBondContact O-N 3.34Å; S15-E19 WeakPolarHBondContact O-CB 3.36Å; S15-E19 PolarHBondContact O-N 2.76Å
16Y93.8Very high83.1Confident44 Ų4484.7 Ų84.717%0.17346%0.455CS..Hα-helixtrans-67-35.7176.1-77.7-59.6000112.5S11 T12 F13 G20 N38 L42S11-Y16 WeakPolarHBondContact O-CE2 3.32Å; T12-Y16 PolarHBondContact O-N 2.82Å; T12-Y16 VanDerWaalsContact O-N 3.09Å; F13-Y16 PolarHBondContact O-N 3.37Å; Y16-G20 PolarHBondContact O-N 3.16Å; Y16-N38 HydrophobicContact CD1-CB 3.57Å; Y16-N38 HydrophobicContact CD2-CB 4.02Å; Y16-N38 HydrophobicContact CE1-CB 3.53Å; Y16-N38 HydrophobicContact CE2-CB 3.96Å; Y16-N38 HydrophobicContact CG-CB 3.83Å; Y16-L42 HydrophobicContact CD2-CD1 3.76Å; Y16-L42 HydrophobicContact CE2-CD1 3.95Å
17M94.4Very high85.3Confident22 Ų2283.4 Ų83.411%0.10844%0.441CS..Hα-helixtrans-62.6-51.4173.7-75.6-65.8-68.900111.7F13 P14 S15 E19 G20 E21 F36 A39 N48 C49F13-M17 HydrophobicContact CD1-CG 4.1Å; F13-M17 HydrophobicContact CE1-CG 3.61Å; F13-M17 HydrophobicContact CE1-SD 4.46Å; F13-M17 HydrophobicContact CE2-CG 4.28Å; F13-M17 HydrophobicContact CZ-CG 3.71Å; F13-M17 HydrophobicContact CZ-SD 4.02Å; F13-M17 WeakPolarHBondContact O-CG 3.37Å; F13-M17 PolarHBondContact O-N 3.43Å; P14-M17 PolarHBondContact O-N 3.33Å; S15-M17 VanDerWaalsContact C-N 3.34Å; M17-E19 VanDerWaalsContact C-N 3.31Å; M17-E19 PolarHBondContact O-N 2.94Å; M17-G20 PolarHBondContact O-N 3.3Å; M17-E21 WeakPolarHBondContact O-CG 3.5Å; M17-E21 PolarHBondContact O-N 3.21Å; M17-F36 HydrophobicContact CE-CE1 4.34Å; M17-F36 HydrophobicContact SD-CD1 3.77Å; M17-F36 HydrophobicContact SD-CE1 3.96Å; M17-A39 HydrophobicContact CG-CB 4.2Å; M17-A39 HydrophobicContact SD-CB 4.22Å; M17-N48 HydrophobicContact CE-CB 4.34Å; M17-C49 HydrophobicContact SD-CB 3.76Å; M17-C49 PolarHBondContact SD-SG 3.36Å
18A94.9Very high87.5Confident56 Ų5679.4 Ų79.446%0.46342%0.422SS..Hα-helixtrans-61.4-40.6179.300000112P14 S15 E21 R22P14-A18 WeakPolarHBondContact O-CB 3.47Å; P14-A18 PolarHBondContact O-N 2.92Å; S15-A18 PolarHBondContact O-N 3.34Å; A18-E21 PolarHBondContact O-N 3.02Å; A18-R22 WeakPolarHBondContact O-CB 3.32Å; A18-R22 PolarHBondContact O-N 2.84Å
19E94.7Very high90Very high69 Ų6975 Ų7532%0.32239%0.391SS..Hα-helixtrans-66.4-42.9176.817958.5-169.700112S15 M17 E21 R22 L23S15-E19 WeakPolarHBondContact O-CB 3.36Å; S15-E19 PolarHBondContact O-N 2.76Å; M17-E19 VanDerWaalsContact C-N 3.31Å; M17-E19 PolarHBondContact O-N 2.94Å; E19-E21 VanDerWaalsContact C-N 3.35Å; E19-E21 PolarHBondContact O-N 2.95Å; E19-R22 VanDerWaalsContact CD-NH2 3.33Å; E19-R22 PolarHBondContact O-N 3.13Å; E19-R22 IonicContact OE1-CZ 2.71Å; E19-R22 IonicContact OE1-NE 3.49Å; E19-R22 IonicContact OE1-NH2 3.46Å; E19-R22 PolarHBondContact OE1-NH2 3.34Å; E19-R22 IonicContact OE2-CZ 3.62Å; E19-R22 IonicContact OE2-NE 2.76Å; E19-R22 PolarHBondContact OE2-NE 3.38Å; E19-R22 IonicContact OE2-NH2 2.67Å; E19-R22 PolarHBondContact OE2-NH2 3.16Å; E19-L23 HydrophobicContact CG-CD1 3.96Å; E19-L23 WeakPolarHBondContact O-CB 3.35Å; E19-L23 WeakPolarHBondContact O-CD1 3.49Å; E19-L23 VanDerWaalsContact O-CG 3.26Å; E19-L23 WeakPolarHBondContact O-CG 3.33Å; E19-L23 PolarHBondContact O-N 3.07Å
20G95.7Very high92Very high0 Ų071.7 Ų71.70%038%0.38CS..Hα-helixtrans-60.1-43174.800000112.5Y16 M17 L23 Y24 A32Y16-G20 PolarHBondContact O-N 3.16Å; M17-G20 PolarHBondContact O-N 3.3Å; G20-L23 PolarHBondContact O-N 3.47Å; G20-Y24 WeakPolarHBondContact O-CB 3.4Å; G20-Y24 PolarHBondContact O-N 3.31Å; G20-A32 WeakPolarHBondContact O-CB 3.2Å
21E95.5Very high93.6Very high108 Ų10866.1 Ų66.151%0.50536%0.362SS..Hα-helixtrans-63.6-44.9176-74.1179176.700112M17 A18 E19 L23 Y24 L25 F36M17-E21 WeakPolarHBondContact O-CG 3.5Å; M17-E21 PolarHBondContact O-N 3.21Å; A18-E21 PolarHBondContact O-N 3.02Å; E19-E21 VanDerWaalsContact C-N 3.35Å; E19-E21 PolarHBondContact O-N 2.95Å; E21-L23 VanDerWaalsContact C-N 3.34Å; E21-L23 PolarHBondContact O-N 3.48Å; E21-Y24 WeakPolarHBondContact O-CB 3.12Å; E21-Y24 PolarHBondContact O-N 2.95Å; E21-L25 WeakPolarHBondContact O-CG 3.14Å; E21-L25 PolarHBondContact O-N 3.48Å; E21-F36 HydrophobicContact CG-CE1 4.37Å; E21-F36 HydrophobicContact CG-CZ 4.17Å
22R96.8Very high94.5Very high119 Ų11964.1 Ų64.145%0.44935%0.348SS..Hα-helixtrans-59.1-47176.6-171-168.267.874.2-1.9111A18 E19 Y24 L25 C26A18-R22 WeakPolarHBondContact O-CB 3.32Å; A18-R22 PolarHBondContact O-N 2.84Å; E19-R22 VanDerWaalsContact CD-NH2 3.33Å; E19-R22 PolarHBondContact O-N 3.13Å; E19-R22 IonicContact OE1-CZ 2.71Å; E19-R22 IonicContact OE1-NE 3.49Å; E19-R22 IonicContact OE1-NH2 3.46Å; E19-R22 PolarHBondContact OE1-NH2 3.34Å; E19-R22 IonicContact OE2-CZ 3.62Å; E19-R22 IonicContact OE2-NE 2.76Å; E19-R22 PolarHBondContact OE2-NE 3.38Å; E19-R22 IonicContact OE2-NH2 2.67Å; E19-R22 PolarHBondContact OE2-NH2 3.16Å; R22-Y24 VanDerWaalsContact C-N 3.33Å; R22-Y24 PolarHBondContact O-N 2.93Å; R22-L25 PolarHBondContact O-N 2.87Å; R22-C26 PolarHBondContact O-N 3.48Å; R22-C26 PolarHBondContact O-SG 3.3Å; R22-C26 VanDerWaalsContact O-SG 3.36Å
23L95.9Very high94.8Very high12 Ų1260.1 Ų60.16%0.06332%0.324CS..Hα-helixtrans-63.6-38.7177.3-71.2165.1000111.9E19 G20 E21 L25 C26 G27 E28 K31 A32 S35E19-L23 HydrophobicContact CG-CD1 3.96Å; E19-L23 WeakPolarHBondContact O-CB 3.35Å; E19-L23 WeakPolarHBondContact O-CD1 3.49Å; E19-L23 VanDerWaalsContact O-CG 3.26Å; E19-L23 WeakPolarHBondContact O-CG 3.33Å; E19-L23 PolarHBondContact O-N 3.07Å; G20-L23 PolarHBondContact O-N 3.47Å; E21-L23 VanDerWaalsContact C-N 3.34Å; E21-L23 PolarHBondContact O-N 3.48Å; L23-L25 VanDerWaalsContact C-N 3.35Å; L23-L25 PolarHBondContact O-N 3.41Å; L23-C26 CarbonylContact O-C 3.57Å; L23-C26 WeakPolarHBondContact O-CB 3.5Å; L23-C26 PolarHBondContact O-N 3.12Å; L23-G27 PolarHBondContact O-N 3.38Å; L23-E28 HydrophobicContact CB-CB 4.37Å; L23-E28 HydrophobicContact CD2-CB 4.09Å; L23-E28 PolarHBondContact O-N 3.07Å; L23-K31 HydrophobicContact CD1-CB 3.88Å; L23-K31 HydrophobicContact CD2-CB 4.14Å; L23-K31 HydrophobicContact CD2-CD 4.38Å; L23-K31 HydrophobicContact CG-CB 4.49Å; L23-A32 HydrophobicContact CB-CB 3.74Å; L23-S35 WeakPolarHBondContact CD1-OG 3.47Å
24Y96Very high95Very high62 Ų6264.6 Ų64.624%0.24335%0.346CS..Hα-helixtrans-60.6-44.6174.9-178.2-90.9000111.5G20 E21 R22 C26 G27 F29 K55 K59G20-Y24 WeakPolarHBondContact O-CB 3.4Å; G20-Y24 PolarHBondContact O-N 3.31Å; E21-Y24 WeakPolarHBondContact O-CB 3.12Å; E21-Y24 PolarHBondContact O-N 2.95Å; R22-Y24 VanDerWaalsContact C-N 3.33Å; R22-Y24 PolarHBondContact O-N 2.93Å; Y24-C26 VanDerWaalsContact C-N 3.28Å; Y24-C26 PolarHBondContact O-N 2.87Å; Y24-G27 PolarHBondContact O-N 3.4Å; Y24-F29 AromaticContact CD2-CD1 3.7Å; Y24-F29 HydrophobicContact CD2-CD1 3.7Å; Y24-F29 AromaticContact CD2-CE1 3.92Å; Y24-F29 HydrophobicContact CD2-CE1 3.92Å; Y24-F29 AromaticContact CE2-CD1 3.89Å; Y24-F29 HydrophobicContact CE2-CD1 3.89Å; Y24-F29 AromaticContact CE2-CE1 3.87Å; Y24-F29 HydrophobicContact CE2-CE1 3.87Å; Y24-F29 HydrophobicContact CG-CD1 4.46Å; Y24-F29 HydrophobicContact CG-CE1 4.43Å; Y24-K55 HydrophobicContact CE2-CB 4.03Å; Y24-K59 HydrophobicContact CE2-CG 4.01Å; Y24-K59 WeakPolarHBondContact OH-CE 3.29Å
25L95.5Very high95.1Very high149 Ų14961.2 Ų61.278%0.7832%0.324SS*.Hα-helixtrans-65.5-31.3176.1-67173.9000112.3E21 R22 L23 G27E21-L25 WeakPolarHBondContact O-CG 3.14Å; E21-L25 PolarHBondContact O-N 3.48Å; R22-L25 PolarHBondContact O-N 2.87Å; L23-L25 VanDerWaalsContact C-N 3.35Å; L23-L25 PolarHBondContact O-N 3.41Å; L25-G27 PolarHBondContact O-N 3.12Å
26C95.2Very high95.2Very high81 Ų8158.8 Ų58.855%0.54731%0.306SS..THydrogen-bonded Turntrans-74.4-6172.2-68.40000114R22 L23 Y24 E28R22-C26 PolarHBondContact O-N 3.48Å; R22-C26 PolarHBondContact O-SG 3.3Å; R22-C26 VanDerWaalsContact O-SG 3.36Å; L23-C26 CarbonylContact O-C 3.57Å; L23-C26 WeakPolarHBondContact O-CB 3.5Å; L23-C26 PolarHBondContact O-N 3.12Å; Y24-C26 VanDerWaalsContact C-N 3.28Å; Y24-C26 PolarHBondContact O-N 2.87Å; C26-E28 HydrophobicContact CB-CG 4.33Å; C26-E28 PolarHBondContact O-N 3.43Å
27G94.1Very high95.2Very high36 Ų3658 Ų5837%0.37131%0.307SS..THydrogen-bonded Turntrans77.85.7-175.100000114.3L23 Y24 L25 F29L23-G27 PolarHBondContact O-N 3.38Å; Y24-G27 PolarHBondContact O-N 3.4Å; L25-G27 PolarHBondContact O-N 3.12Å; G27-F29 VanDerWaalsContact O-CD2 3.3Å; G27-F29 WeakPolarHBondContact O-CD2 3.4Å; G27-F29 WeakPolarHBondContact O-CE2 3.47Å; G27-F29 PolarHBondContact O-N 3.05Å
28E96Very high95.1Very high83 Ų8359.1 Ų59.139%0.38831%0.314SS..  trans-83.159.6178.7-70-103.177.500110.1L23 C26 S30 K31 A32L23-E28 HydrophobicContact CB-CB 4.37Å; L23-E28 HydrophobicContact CD2-CB 4.09Å; L23-E28 PolarHBondContact O-N 3.07Å; C26-E28 HydrophobicContact CB-CG 4.33Å; C26-E28 PolarHBondContact O-N 3.43Å; E28-S30 VanDerWaalsContact C-N 3.27Å; E28-S30 PolarHBondContact O-N 3.17Å; E28-K31 HydrophobicContact CB-CB 4.45Å; E28-K31 PolarHBondContact O-N 3.15Å; E28-K31 VanDerWaalsContact O-N 3.17Å; E28-K31 WeakPolarHBondContact OE2-CD 3.44Å; E28-K31 VanDerWaalsContact OE2-CE 3.32Å; E28-K31 WeakPolarHBondContact OE2-CE 3.47Å; E28-K31 IonicContact OE2-NZ 3.23Å; E28-K31 PolarHBondContact OE2-NZ 3.32Å; E28-A32 WeakPolarHBondContact O-CB 3.28Å; E28-A32 PolarHBondContact O-N 3.49Å
29F95.2Very high95Very high52 Ų5256.5 Ų56.523%0.22829%0.292CS..Hα-helixtrans-59.5-34.7-169.6-54.3-57.4000113.7Y24 G27 A32 A33 C56 K59 M60Y24-F29 AromaticContact CD2-CD1 3.7Å; Y24-F29 HydrophobicContact CD2-CD1 3.7Å; Y24-F29 AromaticContact CD2-CE1 3.92Å; Y24-F29 HydrophobicContact CD2-CE1 3.92Å; Y24-F29 AromaticContact CE2-CD1 3.89Å; Y24-F29 HydrophobicContact CE2-CD1 3.89Å; Y24-F29 AromaticContact CE2-CE1 3.87Å; Y24-F29 HydrophobicContact CE2-CE1 3.87Å; Y24-F29 HydrophobicContact CG-CD1 4.46Å; Y24-F29 HydrophobicContact CG-CE1 4.43Å; G27-F29 VanDerWaalsContact O-CD2 3.3Å; G27-F29 WeakPolarHBondContact O-CD2 3.4Å; G27-F29 WeakPolarHBondContact O-CE2 3.47Å; G27-F29 PolarHBondContact O-N 3.05Å; F29-A32 PolarHBondContact O-N 3.06Å; F29-A33 WeakPolarHBondContact O-CB 3.41Å; F29-A33 PolarHBondContact O-N 3.47Å; F29-C56 HydrophobicContact CB-CB 4.38Å; F29-K59 HydrophobicContact CB-CB 4.48Å; F29-K59 HydrophobicContact CD1-CB 3.7Å; F29-K59 HydrophobicContact CD1-CG 4.09Å; F29-K59 HydrophobicContact CD2-CB 3.61Å; F29-K59 HydrophobicContact CE1-CB 3.73Å; F29-K59 HydrophobicContact CE1-CD 4.45Å; F29-K59 HydrophobicContact CE1-CG 3.76Å; F29-K59 HydrophobicContact CE2-CB 3.64Å; F29-K59 HydrophobicContact CE2-CG 4.35Å; F29-K59 HydrophobicContact CG-CB 3.65Å; F29-K59 HydrophobicContact CZ-CB 3.7Å; F29-K59 HydrophobicContact CZ-CD 4.2Å; F29-K59 HydrophobicContact CZ-CG 3.9Å; F29-M60 HydrophobicContact CB-CG 3.57Å; F29-M60 HydrophobicContact CB-SD 3.98Å; F29-M60 HydrophobicContact CG-CG 4.47Å
30S94.6Very high94.8Very high80 Ų8053.7 Ų53.756%0.55928%0.279SS*.Hα-helixtrans-65.4-44.4179.6-142.30000111.5E28 Q34 M60E28-S30 VanDerWaalsContact C-N 3.27Å; E28-S30 PolarHBondContact O-N 3.17Å; S30-Q34 PolarHBondContact O-N 2.88Å; S30-M60 VanDerWaalsContact OG-CE 3.29Å; S30-M60 WeakPolarHBondContact OG-CE 3.34Å
31K94.3Very high94.6Very high106 Ų10663.3 Ų63.346%0.46132%0.317SS..Hα-helixtrans-70.7-40.1176-62.9-178-175.1166.80111.1L23 E28 A33 Q34 S35L23-K31 HydrophobicContact CD1-CB 3.88Å; L23-K31 HydrophobicContact CD2-CB 4.14Å; L23-K31 HydrophobicContact CD2-CD 4.38Å; L23-K31 HydrophobicContact CG-CB 4.49Å; E28-K31 HydrophobicContact CB-CB 4.45Å; E28-K31 PolarHBondContact O-N 3.15Å; E28-K31 VanDerWaalsContact O-N 3.17Å; E28-K31 WeakPolarHBondContact OE2-CD 3.44Å; E28-K31 VanDerWaalsContact OE2-CE 3.32Å; E28-K31 WeakPolarHBondContact OE2-CE 3.47Å; E28-K31 IonicContact OE2-NZ 3.23Å; E28-K31 PolarHBondContact OE2-NZ 3.32Å; K31-A33 VanDerWaalsContact C-N 3.32Å; K31-A33 PolarHBondContact O-N 2.98Å; K31-Q34 WeakPolarHBondContact O-CB 3.29Å; K31-Q34 PolarHBondContact O-N 2.84Å; K31-S35 PolarHBondContact O-N 3.39Å; K31-S35 PolarHBondContact O-OG 3.01Å
32A95.8Very high94.3Very high0 Ų061.8 Ų61.80%031%0.312CS..Hα-helixtrans-56.5-46.2174.900000111.6G20 L23 E28 F29 Q34 S35 F36 C56G20-A32 WeakPolarHBondContact O-CB 3.2Å; L23-A32 HydrophobicContact CB-CB 3.74Å; E28-A32 WeakPolarHBondContact O-CB 3.28Å; E28-A32 PolarHBondContact O-N 3.49Å; F29-A32 PolarHBondContact O-N 3.06Å; A32-Q34 VanDerWaalsContact C-N 3.26Å; A32-Q34 PolarHBondContact O-N 2.96Å; A32-S35 PolarHBondContact O-N 3.22Å; A32-F36 HydrophobicContact CB-CE2 4.25Å; A32-F36 WeakPolarHBondContact O-CD2 3.44Å; A32-F36 WeakPolarHBondContact O-CG 3.48Å; A32-F36 PolarHBondContact O-N 3.26Å; A32-C56 VanDerWaalsContact CB-SG 3.58Å
33A95.6Very high93.8Very high5 Ų560.3 Ų60.34%0.04131%0.31CS..Hα-helixtrans-61.4-33.5176.200000113F29 K31 S37 R53 C56 F57F29-A33 WeakPolarHBondContact O-CB 3.41Å; F29-A33 PolarHBondContact O-N 3.47Å; K31-A33 VanDerWaalsContact C-N 3.32Å; K31-A33 PolarHBondContact O-N 2.98Å; A33-S37 WeakPolarHBondContact O-CB 3.36Å; A33-S37 PolarHBondContact O-N 2.85Å; A33-S37 PolarHBondContact O-OG 3.45Å; A33-R53 HydrophobicContact CB-CG 4.12Å; A33-C56 HydrophobicContact CB-CB 3.92Å; A33-F57 HydrophobicContact CB-CD1 4.48Å; A33-F57 HydrophobicContact CB-CE1 3.88Å; A33-F57 HydrophobicContact CB-CZ 4.11Å
34Q95.1Very high93.3Very high133 Ų13367 Ų6762%0.62135%0.346SS*.Hα-helixtrans-69.7-44.3175.2-170.616166.800111.6S30 K31 A32 F36 S37 N38S30-Q34 PolarHBondContact O-N 2.88Å; K31-Q34 WeakPolarHBondContact O-CB 3.29Å; K31-Q34 PolarHBondContact O-N 2.84Å; A32-Q34 VanDerWaalsContact C-N 3.26Å; A32-Q34 PolarHBondContact O-N 2.96Å; Q34-F36 PolarHBondContact O-N 3.43Å; Q34-S37 WeakPolarHBondContact O-CB 3.48Å; Q34-S37 PolarHBondContact O-N 3.37Å; Q34-S37 VanDerWaalsContact O-N 3.07Å; Q34-N38 PolarHBondContact O-N 3.44Å
35S94.9Very high92.7Very high14 Ų1465.3 Ų65.310%0.09835%0.347CS..Hα-helixtrans-59.4-44.2173.6-610000112L23 K31 A32 S37 N38 A39L23-S35 WeakPolarHBondContact CD1-OG 3.47Å; K31-S35 PolarHBondContact O-N 3.39Å; K31-S35 PolarHBondContact O-OG 3.01Å; A32-S35 PolarHBondContact O-N 3.22Å; S35-S37 VanDerWaalsContact C-N 3.29Å; S35-S37 PolarHBondContact O-N 3.11Å; S35-N38 WeakPolarHBondContact O-CB 3.4Å; S35-N38 PolarHBondContact O-N 2.94Å; S35-A39 PolarHBondContact O-N 3.11Å
36F94.6Very high92.4Very high3 Ų359.3 Ų59.31%0.01332%0.316CS..Hα-helixtrans-64.8-33.1174-65.2-49.8000112.8M17 E21 A32 Q34 N38 A39 L40 C49 A52 R53 C56M17-F36 HydrophobicContact CE-CE1 4.34Å; M17-F36 HydrophobicContact SD-CD1 3.77Å; M17-F36 HydrophobicContact SD-CE1 3.96Å; E21-F36 HydrophobicContact CG-CE1 4.37Å; E21-F36 HydrophobicContact CG-CZ 4.17Å; A32-F36 HydrophobicContact CB-CE2 4.25Å; A32-F36 WeakPolarHBondContact O-CD2 3.44Å; A32-F36 WeakPolarHBondContact O-CG 3.48Å; A32-F36 PolarHBondContact O-N 3.26Å; Q34-F36 PolarHBondContact O-N 3.43Å; F36-N38 VanDerWaalsContact C-N 3.34Å; F36-A39 WeakPolarHBondContact O-CB 3.32Å; F36-A39 PolarHBondContact O-N 3.08Å; F36-L40 PolarHBondContact O-N 3.08Å; F36-C49 PolarHBondContact O-SG 3.45Å; F36-A52 HydrophobicContact CD1-CB 3.98Å; F36-A52 HydrophobicContact CD2-CB 4.05Å; F36-A52 HydrophobicContact CE1-CB 3.65Å; F36-A52 HydrophobicContact CE2-CB 3.73Å; F36-A52 HydrophobicContact CG-CB 4.19Å; F36-A52 HydrophobicContact CZ-CB 3.52Å; F36-R53 HydrophobicContact CB-CB 3.84Å; F36-R53 HydrophobicContact CB-CG 4.18Å; F36-R53 HydrophobicContact CD2-CB 4.34Å; F36-R53 HydrophobicContact CG-CB 4.41Å; F36-C56 VanDerWaalsContact CE2-SG 3.59Å
37S94Very high92.1Very high27 Ų2760.3 Ų60.319%0.18931%0.311CS..Hα-helixtrans-65.4-39.8174.1-59.40000111.7A33 Q34 S35 A39 L40 Y41 R53A33-S37 WeakPolarHBondContact O-CB 3.36Å; A33-S37 PolarHBondContact O-N 2.85Å; A33-S37 PolarHBondContact O-OG 3.45Å; Q34-S37 WeakPolarHBondContact O-CB 3.48Å; Q34-S37 PolarHBondContact O-N 3.37Å; Q34-S37 VanDerWaalsContact O-N 3.07Å; S35-S37 VanDerWaalsContact C-N 3.29Å; S35-S37 PolarHBondContact O-N 3.11Å; S37-A39 VanDerWaalsContact C-N 3.35Å; S37-L40 PolarHBondContact O-N 2.76Å; S37-Y41 WeakPolarHBondContact O-CD2 3.43Å; S37-Y41 PolarHBondContact O-N 2.71Å; S37-R53 VanDerWaalsContact OG-CD 3.26Å; S37-R53 WeakPolarHBondContact OG-CD 3.48Å; S37-R53 PolarHBondContact OG-NH1 3.27Å
38N92.9Very high92Very high47 Ų4763.9 Ų63.925%0.25132%0.322SS..Hα-helixtrans-64.4-38173.1-67.5-21.7000112.3Y16 Q34 S35 F36 Y41 L42Y16-N38 HydrophobicContact CD1-CB 3.57Å; Y16-N38 HydrophobicContact CD2-CB 4.02Å; Y16-N38 HydrophobicContact CE1-CB 3.53Å; Y16-N38 HydrophobicContact CE2-CB 3.96Å; Y16-N38 HydrophobicContact CG-CB 3.83Å; Q34-N38 PolarHBondContact O-N 3.44Å; S35-N38 WeakPolarHBondContact O-CB 3.4Å; S35-N38 PolarHBondContact O-N 2.94Å; F36-N38 VanDerWaalsContact C-N 3.34Å; N38-Y41 PolarHBondContact O-N 2.91Å; N38-L42 PolarHBondContact O-N 3.02Å
39A92.9Very high91.9Very high0 Ų060 Ų600%030%0.303CS..Hα-helixtrans-61.5-45.7171.100000111.5F13 M17 S35 F36 S37 Y41 L42 Q43 C49F13-A39 HydrophobicContact CD2-CB 3.83Å; F13-A39 VanDerWaalsContact CD2-O 3.25Å; F13-A39 WeakPolarHBondContact CD2-O 3.26Å; F13-A39 HydrophobicContact CE2-CB 3.83Å; M17-A39 HydrophobicContact CG-CB 4.2Å; M17-A39 HydrophobicContact SD-CB 4.22Å; S35-A39 PolarHBondContact O-N 3.11Å; F36-A39 WeakPolarHBondContact O-CB 3.32Å; F36-A39 PolarHBondContact O-N 3.08Å; S37-A39 VanDerWaalsContact C-N 3.35Å; A39-Y41 VanDerWaalsContact C-N 3.28Å; A39-Y41 PolarHBondContact O-N 3.18Å; A39-L42 WeakPolarHBondContact O-CB 3.3Å; A39-L42 PolarHBondContact O-N 3.02Å; A39-Q43 PolarHBondContact O-N 3.39Å; A39-C49 VanDerWaalsContact CB-SG 3.53Å
40L91.1Very high91.8Very high11 Ų1157.9 Ų57.96%0.05829%0.294CS..Hα-helixtrans-63.3-30.1176.5-78.4161.1000113.5F36 S37 L42 Q43 D44 C49 L50F36-L40 PolarHBondContact O-N 3.08Å; S37-L40 PolarHBondContact O-N 2.76Å; L40-L42 PolarHBondContact O-N 3.46Å; L40-Q43 CarbonylContact O-C 3.23Å; L40-Q43 VanDerWaalsContact O-C 3.23Å; L40-Q43 PolarHBondContact O-N 2.68Å; L40-D44 WeakPolarHBondContact O-CA 3.46Å; L40-D44 PolarHBondContact O-N 2.77Å; L40-D44 VanDerWaalsContact O-N 3.16Å; L40-C49 HydrophobicContact CD2-CB 4.02Å; L40-C49 HydrophobicContact CG-CB 3.97Å; L40-L50 HydrophobicContact CD1-CD2 3.72Å; L40-L50 HydrophobicContact CD1-CG 4.25Å; L40-L50 HydrophobicContact CD2-CD2 3.99Å; L40-L50 HydrophobicContact CD2-CG 3.86Å
41Y90.4Very high91.8Very high201 Ų20156.4 Ų56.479%0.78828%0.282SS*.Hα-helixtrans-63.7-26.6171.1-83.1-67.4000113.2S37 N38 A39S37-Y41 WeakPolarHBondContact O-CD2 3.43Å; S37-Y41 PolarHBondContact O-N 2.71Å; N38-Y41 PolarHBondContact O-N 2.91Å; A39-Y41 VanDerWaalsContact C-N 3.28Å; A39-Y41 PolarHBondContact O-N 3.18Å
42L89.3Confident91.8Very high77 Ų7752.1 Ų52.140%0.40327%0.266SS..Hα-helixtrans-88.7-36.8177.5-62.7177.5000112.5S11 F13 Y16 N38 A39 L40S11-L42 WeakPolarHBondContact O-CD1 3.42Å; F13-L42 HydrophobicContact CB-CB 4.26Å; F13-L42 HydrophobicContact CB-CD1 4.22Å; F13-L42 VanDerWaalsContact N-CD1 3.35Å; Y16-L42 HydrophobicContact CD2-CD1 3.76Å; Y16-L42 HydrophobicContact CE2-CD1 3.95Å; N38-L42 PolarHBondContact O-N 3.02Å; A39-L42 WeakPolarHBondContact O-CB 3.3Å; A39-L42 PolarHBondContact O-N 3.02Å; L40-L42 PolarHBondContact O-N 3.46Å
43Q87.4Confident91.8Very high88 Ų8854.3 Ų54.341%0.41128%0.275SS..SBendtrans-134.390.9177.3-169.4-178.3-36.400109F13 A39 L40 D46F13-Q43 HydrophobicContact CD2-CB 3.58Å; F13-Q43 HydrophobicContact CE2-CB 3.7Å; F13-Q43 HydrophobicContact CG-CB 4.33Å; A39-Q43 PolarHBondContact O-N 3.39Å; L40-Q43 CarbonylContact O-C 3.23Å; L40-Q43 VanDerWaalsContact O-C 3.23Å; L40-Q43 PolarHBondContact O-N 2.68Å; Q43-D46 HydrophobicContact CG-CB 4.21Å; Q43-D46 PolarHBondContact NE2-OD2 3.02Å; Q43-D46 PolarHBondContact O-N 3.45Å
44D84.9Confident91.8Very high153 Ų15354.6 Ų54.682%0.81828%0.276SS*.THydrogen-bonded Turntrans-62.7140.6179-172.2-111.8000110.6L40 D46L40-D44 WeakPolarHBondContact O-CA 3.46Å; L40-D44 PolarHBondContact O-N 2.77Å; L40-D44 VanDerWaalsContact O-N 3.16Å; D44-D46 VanDerWaalsContact C-N 3.27Å; D44-D46 PolarHBondContact O-N 3.22Å
45G82.3Confident91.8Very high25 Ų2553.4 Ų53.426%0.25827%0.269SS..THydrogen-bonded Turntrans72.39.2177.100000115.9K47G45-K47 PolarHBondContact O-N 3.02Å
46D89.8Confident91.9Very high23 Ų2352.8 Ų52.812%0.12326%0.264CS..  trans-60.8116.2174.7-176-93.3000110.9F13 Q43 D44 N48 C49 L50F13-D46 HydrophobicContact CE2-CB 4.08Å; F13-D46 HydrophobicContact CZ-CB 3.96Å; Q43-D46 HydrophobicContact CG-CB 4.21Å; Q43-D46 PolarHBondContact NE2-OD2 3.02Å; Q43-D46 PolarHBondContact O-N 3.45Å; D44-D46 VanDerWaalsContact C-N 3.27Å; D44-D46 PolarHBondContact O-N 3.22Å; D46-N48 VanDerWaalsContact C-N 3.3Å; D46-N48 PolarHBondContact O-N 3.18Å; D46-N48 WeakPolarHBondContact OD1-CA 3.45Å; D46-N48 WeakPolarHBondContact OD1-CB 3.34Å; D46-N48 PolarHBondContact OD1-N 3.39Å; D46-C49 HydrophobicContact CB-CB 3.98Å; D46-C49 PolarHBondContact O-N 2.96Å; D46-C49 WeakPolarHBondContact OD1-CB 3.32Å; D46-C49 PolarHBondContact OD1-N 3.04Å; D46-L50 WeakPolarHBondContact O-CG 3.36Å; D46-L50 PolarHBondContact O-N 3.43Å
47K89.8Confident92Very high102 Ų10253.7 Ų53.744%0.44327%0.268SS..Hα-helixtrans-58.4-41-176.3-179.9176.1179.4172.20112.2G45 C49 V51G45-K47 PolarHBondContact O-N 3.02Å; K47-C49 VanDerWaalsContact C-N 3.35Å; K47-V51 HydrophobicContact CG-CG2 4.46Å; K47-V51 WeakPolarHBondContact O-CB 3.45Å; K47-V51 WeakPolarHBondContact O-CG2 3.33Å; K47-V51 PolarHBondContact O-N 2.94Å
48N91.1Very high92Very high112 Ų11256.6 Ų56.660%0.59928%0.281SS*.Hα-helixtrans-68.2-41-177.8-63.1-46.6000110.5M17 D46 V51 A52M17-N48 HydrophobicContact CE-CB 4.34Å; D46-N48 VanDerWaalsContact C-N 3.3Å; D46-N48 PolarHBondContact O-N 3.18Å; D46-N48 WeakPolarHBondContact OD1-CA 3.45Å; D46-N48 WeakPolarHBondContact OD1-CB 3.34Å; D46-N48 PolarHBondContact OD1-N 3.39Å; N48-V51 PolarHBondContact O-N 3.28Å; N48-A52 VanDerWaalsContact O-CB 3.29Å; N48-A52 WeakPolarHBondContact O-CB 3.41Å; N48-A52 PolarHBondContact O-N 3.5Å
49C93.9Very high92.1Very high0 Ų060.4 Ų60.40%030%0.296CS..Hα-helixtrans-65.6-45177.9-158.50000112.2F13 M17 F36 A39 L40 D46 K47 V51 A52 R53F13-C49 HydrophobicContact CE2-CB 4.34Å; F13-C49 HydrophobicContact CZ-CB 4.33Å; M17-C49 HydrophobicContact SD-CB 3.76Å; M17-C49 PolarHBondContact SD-SG 3.36Å; F36-C49 PolarHBondContact O-SG 3.45Å; A39-C49 VanDerWaalsContact CB-SG 3.53Å; L40-C49 HydrophobicContact CD2-CB 4.02Å; L40-C49 HydrophobicContact CG-CB 3.97Å; D46-C49 HydrophobicContact CB-CB 3.98Å; D46-C49 PolarHBondContact O-N 2.96Å; D46-C49 WeakPolarHBondContact OD1-CB 3.32Å; D46-C49 PolarHBondContact OD1-N 3.04Å; K47-C49 VanDerWaalsContact C-N 3.35Å; C49-V51 PolarHBondContact O-N 2.88Å; C49-A52 PolarHBondContact O-N 2.92Å; C49-R53 WeakPolarHBondContact O-CB 3.41Å; C49-R53 PolarHBondContact O-N 3.2Å
50L93.9Very high92.1Very high9 Ų964.4 Ų64.45%0.04732%0.315CS..Hα-helixtrans-60.1-44.4174.6-71.8168.1000111.8L40 D46 R53 S54 A72L40-L50 HydrophobicContact CD1-CD2 3.72Å; L40-L50 HydrophobicContact CD1-CG 4.25Å; L40-L50 HydrophobicContact CD2-CD2 3.99Å; L40-L50 HydrophobicContact CD2-CG 3.86Å; D46-L50 WeakPolarHBondContact O-CG 3.36Å; D46-L50 PolarHBondContact O-N 3.43Å; L50-R53 PolarHBondContact O-N 3.49Å; L50-S54 VanDerWaalsContact O-CB 3.26Å; L50-S54 WeakPolarHBondContact O-CB 3.35Å; L50-S54 PolarHBondContact O-N 3.47Å; L50-A72 HydrophobicContact CD1-CB 3.93Å; L50-A72 HydrophobicContact CD2-CB 4.18Å
51V93.8Very high92.2Very high49 Ų4966.6 Ų66.630%0.29734%0.34SS..Hα-helixtrans-64-42.2176.41690000111.3K47 N48 C49 S54 K55K47-V51 HydrophobicContact CG-CG2 4.46Å; K47-V51 WeakPolarHBondContact O-CB 3.45Å; K47-V51 WeakPolarHBondContact O-CG2 3.33Å; K47-V51 PolarHBondContact O-N 2.94Å; N48-V51 PolarHBondContact O-N 3.28Å; C49-V51 PolarHBondContact O-N 2.88Å; V51-S54 PolarHBondContact O-N 3.48Å; V51-K55 HydrophobicContact CG1-CD 4.46Å; V51-K55 WeakPolarHBondContact O-CG 3.46Å; V51-K55 PolarHBondContact O-N 3.28Å
52A94.7Very high92.4Very high16 Ų1658.7 Ų58.713%0.13231%0.312CS..Hα-helixtrans-64.5-44.4178.900000111.6F36 N48 C49 K55 C56F36-A52 HydrophobicContact CD1-CB 3.98Å; F36-A52 HydrophobicContact CD2-CB 4.05Å; F36-A52 HydrophobicContact CE1-CB 3.65Å; F36-A52 HydrophobicContact CE2-CB 3.73Å; F36-A52 HydrophobicContact CG-CB 4.19Å; F36-A52 HydrophobicContact CZ-CB 3.52Å; N48-A52 VanDerWaalsContact O-CB 3.29Å; N48-A52 WeakPolarHBondContact O-CB 3.41Å; N48-A52 PolarHBondContact O-N 3.5Å; C49-A52 PolarHBondContact O-N 2.92Å; A52-K55 WeakPolarHBondContact O-CB 3.37Å; A52-K55 PolarHBondContact O-N 3.17Å; A52-C56 PolarHBondContact O-N 3.2Å; A52-C56 PolarHBondContact O-SG 2.95Å; A52-C56 VanDerWaalsContact O-SG 3.38Å
53R95.9Very high92.6Very high46 Ų4660.7 Ų60.717%0.17432%0.322CS..Hα-helixtrans-65.2-40.7175.3-164.717268.7-174.3-5112.4A33 F36 S37 C49 L50 K55 C56 F57 D69A33-R53 HydrophobicContact CB-CG 4.12Å; F36-R53 HydrophobicContact CB-CB 3.84Å; F36-R53 HydrophobicContact CB-CG 4.18Å; F36-R53 HydrophobicContact CD2-CB 4.34Å; F36-R53 HydrophobicContact CG-CB 4.41Å; S37-R53 VanDerWaalsContact OG-CD 3.26Å; S37-R53 WeakPolarHBondContact OG-CD 3.48Å; S37-R53 PolarHBondContact OG-NH1 3.27Å; C49-R53 WeakPolarHBondContact O-CB 3.41Å; C49-R53 PolarHBondContact O-N 3.2Å; L50-R53 PolarHBondContact O-N 3.49Å; R53-K55 VanDerWaalsContact C-N 3.32Å; R53-K55 PolarHBondContact O-N 2.95Å; R53-C56 VanDerWaalsContact O-CB 3.3Å; R53-C56 WeakPolarHBondContact O-CB 3.49Å; R53-C56 PolarHBondContact O-N 2.97Å; R53-C56 VanDerWaalsContact O-N 3.08Å; R53-F57 HydrophobicContact CG-CD2 4.19Å; R53-F57 HydrophobicContact CG-CE2 3.6Å; R53-F57 HydrophobicContact CG-CZ 4.02Å; R53-F57 WeakPolarHBondContact O-CD2 3.3Å; R53-F57 PolarHBondContact O-N 3Å; R53-F57 VanDerWaalsContact O-N 3.08Å; R53-D69 WeakPolarHBondContact CB-OD2 3.38Å; R53-D69 WeakPolarHBondContact CG-OD2 3.5Å; R53-D69 IonicContact CZ-OD1 3.06Å; R53-D69 IonicContact CZ-OD2 3.62Å; R53-D69 IonicContact NE-OD1 3.78Å; R53-D69 PolarHBondContact NE-OD1 3.42Å; R53-D69 IonicContact NE-OD2 2.77Å; R53-D69 PolarHBondContact NE-OD2 2.99Å; R53-D69 IonicContact NH2-OD1 2.83Å; R53-D69 PolarHBondContact NH2-OD1 2.69Å; R53-D69 IonicContact NH2-OD2 2.68Å
54S95.6Very high92.9Very high10 Ų1064.6 Ų64.67%0.0734%0.34CS..Hα-helixtrans-57.9-43.8173.8-177.40000111.7L50 V51 C56 F57 L58 S66L50-S54 VanDerWaalsContact O-CB 3.26Å; L50-S54 WeakPolarHBondContact O-CB 3.35Å; L50-S54 PolarHBondContact O-N 3.47Å; V51-S54 PolarHBondContact O-N 3.48Å; S54-C56 VanDerWaalsContact C-N 3.31Å; S54-C56 PolarHBondContact O-N 3.24Å; S54-F57 PolarHBondContact O-N 2.92Å; S54-L58 WeakPolarHBondContact O-CG 3.44Å; S54-L58 PolarHBondContact O-N 2.83Å; S54-S66 PolarHBondContact O-OG 3.02Å; S54-S66 PolarHBondContact OG-O 3.14Å; S54-S66 PolarHBondContact OG-OG 2.9Å
55K95.1Very high93.2Very high109 Ų10964.1 Ų64.147%0.47433%0.327SS..Hα-helixtrans-60.9-37.9175-72.3171.1-177.5175.60112.4Y24 V51 A52 R53 L58 K59Y24-K55 HydrophobicContact CE2-CB 4.03Å; V51-K55 HydrophobicContact CG1-CD 4.46Å; V51-K55 WeakPolarHBondContact O-CG 3.46Å; V51-K55 PolarHBondContact O-N 3.28Å; A52-K55 WeakPolarHBondContact O-CB 3.37Å; A52-K55 PolarHBondContact O-N 3.17Å; R53-K55 VanDerWaalsContact C-N 3.32Å; R53-K55 PolarHBondContact O-N 2.95Å; K55-L58 PolarHBondContact O-N 2.74Å; K55-K59 WeakPolarHBondContact O-CG 3.42Å; K55-K59 PolarHBondContact O-N 2.96Å; K55-K59 VanDerWaalsContact O-N 3.15Å
56C96.3Very high93.6Very high0 Ų063.3 Ų63.30%032%0.317CS..Hα-helixtrans-60.3-48.5174-62.80000110.9F29 A32 A33 F36 A52 R53 S54 L58 K59 M60F29-C56 HydrophobicContact CB-CB 4.38Å; A32-C56 VanDerWaalsContact CB-SG 3.58Å; A33-C56 HydrophobicContact CB-CB 3.92Å; F36-C56 VanDerWaalsContact CE2-SG 3.59Å; A52-C56 PolarHBondContact O-N 3.2Å; A52-C56 PolarHBondContact O-SG 2.95Å; A52-C56 VanDerWaalsContact O-SG 3.38Å; R53-C56 VanDerWaalsContact O-CB 3.3Å; R53-C56 WeakPolarHBondContact O-CB 3.49Å; R53-C56 PolarHBondContact O-N 2.97Å; R53-C56 VanDerWaalsContact O-N 3.08Å; S54-C56 VanDerWaalsContact C-N 3.31Å; S54-C56 PolarHBondContact O-N 3.24Å; C56-L58 PolarHBondContact O-N 2.97Å; C56-K59 PolarHBondContact O-N 3.36Å; C56-K59 VanDerWaalsContact O-N 3.11Å; C56-M60 WeakPolarHBondContact O-CG 3.04Å; C56-M60 PolarHBondContact O-N 3.34Å
57F96.1Very high93.7Very high22 Ų2267 Ų6710%0.09634%0.337CS..Hα-helixtrans-63.5-38.7179.6-67.1-43.5000112.9A33 R53 S54 K59 M60 G61 D62 R65 D69A33-F57 HydrophobicContact CB-CD1 4.48Å; A33-F57 HydrophobicContact CB-CE1 3.88Å; A33-F57 HydrophobicContact CB-CZ 4.11Å; R53-F57 HydrophobicContact CG-CD2 4.19Å; R53-F57 HydrophobicContact CG-CE2 3.6Å; R53-F57 HydrophobicContact CG-CZ 4.02Å; R53-F57 WeakPolarHBondContact O-CD2 3.3Å; R53-F57 PolarHBondContact O-N 3Å; R53-F57 VanDerWaalsContact O-N 3.08Å; S54-F57 PolarHBondContact O-N 2.92Å; F57-K59 VanDerWaalsContact C-N 3.3Å; F57-K59 PolarHBondContact O-N 2.94Å; F57-M60 HydrophobicContact CD1-SD 4.28Å; F57-M60 CarbonylContact O-C 3.59Å; F57-M60 PolarHBondContact O-N 3.39Å; F57-M60 VanDerWaalsContact O-N 3.11Å; F57-G61 PolarHBondContact O-N 3.16Å; F57-D62 HydrophobicContact CB-CB 4.28Å; F57-D62 WeakPolarHBondContact CB-O 3.45Å; F57-D62 HydrophobicContact CD1-CB 4.47Å; F57-D62 PolarHBondContact O-N 3.02Å; F57-R65 HydrophobicContact CB-CB 4.4Å; F57-R65 HydrophobicContact CD1-CB 4.27Å; F57-R65 HydrophobicContact CD2-CB 3.62Å; F57-R65 HydrophobicContact CE1-CB 4.48Å; F57-R65 HydrophobicContact CE2-CB 3.83Å; F57-R65 HydrophobicContact CG-CB 3.86Å; F57-R65 HydrophobicContact CZ-CB 4.28Å; F57-D69 WeakPolarHBondContact CE2-OD2 3.26Å
58L95Very high93.8Very high89 Ų8969.2 Ų69.247%0.46635%0.346SS..Hα-helixtrans-57-43.7171.3-71.1178000112.1S54 K55 C56 M60 G61 L63 S66S54-L58 WeakPolarHBondContact O-CG 3.44Å; S54-L58 PolarHBondContact O-N 2.83Å; K55-L58 PolarHBondContact O-N 2.74Å; C56-L58 PolarHBondContact O-N 2.97Å; L58-M60 VanDerWaalsContact C-N 3.26Å; L58-M60 PolarHBondContact O-N 3.33Å; L58-G61 PolarHBondContact O-N 3.45Å; L58-G61 VanDerWaalsContact O-N 3.16Å; L58-L63 HydrophobicContact CD2-CD2 3.61Å; L58-S66 WeakPolarHBondContact CD2-OG 3.35Å; L58-S66 WeakPolarHBondContact CG-OG 3.5Å
59K94.3Very high93.8Very high127 Ų12764.3 Ų64.355%0.55232%0.32SS*.Hα-helixtrans-69.4-25.9179.3-67.5-66.9-177-178.60112.9Y24 F29 K55 C56 F57Y24-K59 HydrophobicContact CE2-CG 4.01Å; Y24-K59 WeakPolarHBondContact OH-CE 3.29Å; F29-K59 HydrophobicContact CB-CB 4.48Å; F29-K59 HydrophobicContact CD1-CB 3.7Å; F29-K59 HydrophobicContact CD1-CG 4.09Å; F29-K59 HydrophobicContact CD2-CB 3.61Å; F29-K59 HydrophobicContact CE1-CB 3.73Å; F29-K59 HydrophobicContact CE1-CD 4.45Å; F29-K59 HydrophobicContact CE1-CG 3.76Å; F29-K59 HydrophobicContact CE2-CB 3.64Å; F29-K59 HydrophobicContact CE2-CG 4.35Å; F29-K59 HydrophobicContact CG-CB 3.65Å; F29-K59 HydrophobicContact CZ-CB 3.7Å; F29-K59 HydrophobicContact CZ-CD 4.2Å; F29-K59 HydrophobicContact CZ-CG 3.9Å; K55-K59 WeakPolarHBondContact O-CG 3.42Å; K55-K59 PolarHBondContact O-N 2.96Å; K55-K59 VanDerWaalsContact O-N 3.15Å; C56-K59 PolarHBondContact O-N 3.36Å; C56-K59 VanDerWaalsContact O-N 3.11Å; F57-K59 VanDerWaalsContact C-N 3.3Å; F57-K59 PolarHBondContact O-N 2.94Å
60M94.2Very high93.6Very high84 Ų8465.9 Ų65.941%0.41433%0.333SS..Hα-helixtrans-82.9-11.6173.3-65.2172.165.300113.4F29 S30 C56 F57 L58 D62F29-M60 HydrophobicContact CB-CG 3.57Å; F29-M60 HydrophobicContact CB-SD 3.98Å; F29-M60 HydrophobicContact CG-CG 4.47Å; S30-M60 VanDerWaalsContact OG-CE 3.29Å; S30-M60 WeakPolarHBondContact OG-CE 3.34Å; C56-M60 WeakPolarHBondContact O-CG 3.04Å; C56-M60 PolarHBondContact O-N 3.34Å; F57-M60 HydrophobicContact CD1-SD 4.28Å; F57-M60 CarbonylContact O-C 3.59Å; F57-M60 PolarHBondContact O-N 3.39Å; F57-M60 VanDerWaalsContact O-N 3.11Å; L58-M60 VanDerWaalsContact C-N 3.26Å; L58-M60 PolarHBondContact O-N 3.33Å; M60-D62 VanDerWaalsContact C-N 3.34Å
61G93.3Very high93.4Very high56 Ų5670 Ų7058%0.57735%0.353SS*.THydrogen-bonded Turntrans82.77.3-173.900000114.5F57 L58 L63F57-G61 PolarHBondContact O-N 3.16Å; L58-G61 PolarHBondContact O-N 3.45Å; L58-G61 VanDerWaalsContact O-N 3.16Å; G61-L63 PolarHBondContact O-N 3.48Å; G61-L63 VanDerWaalsContact O-N 3.12Å
62D94.1Very high93.1Very high36 Ų3669.2 Ų69.219%0.19335%0.351CS..  trans-86.579177.1-162.2-43.7000110.1F57 M60 E64 R65 S66F57-D62 HydrophobicContact CB-CB 4.28Å; F57-D62 WeakPolarHBondContact CB-O 3.45Å; F57-D62 HydrophobicContact CD1-CB 4.47Å; F57-D62 PolarHBondContact O-N 3.02Å; M60-D62 VanDerWaalsContact C-N 3.34Å; D62-E64 VanDerWaalsContact C-N 3.32Å; D62-E64 PolarHBondContact O-N 3.49Å; D62-R65 WeakPolarHBondContact OD1-CB 3.26Å; D62-R65 WeakPolarHBondContact OD1-CG 3.38Å; D62-R65 PolarHBondContact OD1-N 2.93Å; D62-R65 IonicContact OD1-NE 3.59Å; D62-R65 IonicContact OD2-CZ 3.45Å; D62-R65 IonicContact OD2-NE 3.59Å; D62-R65 PolarHBondContact OD2-NE 3.25Å; D62-R65 IonicContact OD2-NH2 2.69Å; D62-R65 PolarHBondContact OD2-NH2 3.42Å; D62-S66 WeakPolarHBondContact O-CB 3.41Å; D62-S66 PolarHBondContact O-N 3.4Å; D62-S66 VanDerWaalsContact O-N 3.12Å
63L92.8Very high92.7Very high118 Ų11868.9 Ų68.962%0.61835%0.347SS*.Hα-helixtrans-66.4-34.1-176.7-64.6178.4000112.3L58 G61 S66 L67L58-L63 HydrophobicContact CD2-CD2 3.61Å; G61-L63 PolarHBondContact O-N 3.48Å; G61-L63 VanDerWaalsContact O-N 3.12Å; L63-S66 PolarHBondContact O-N 3.45Å; L63-L67 VanDerWaalsContact O-CB 3.28Å; L63-L67 WeakPolarHBondContact O-CB 3.45Å; L63-L67 PolarHBondContact O-N 2.91Å
64E93.3Very high92Very high170 Ų17070.1 Ų70.179%0.79436%0.357SS*.Hα-helixtrans-63.6-49-179.6-69.8-176.482.900111.4D62 L67 K68D62-E64 VanDerWaalsContact C-N 3.32Å; D62-E64 PolarHBondContact O-N 3.49Å; E64-L67 PolarHBondContact O-N 3.26Å; E64-K68 PolarHBondContact O-N 3.09Å; E64-K68 VanDerWaalsContact O-N 3.07Å
65R91.1Very high90.9Very high143 Ų14376.6 Ų76.654%0.5439%0.386SS..Hα-helixtrans-68.9-36.4177.1-72.8-173-108.8-169.3-1.6112.3F57 D62 K68 D69F57-R65 HydrophobicContact CB-CB 4.4Å; F57-R65 HydrophobicContact CD1-CB 4.27Å; F57-R65 HydrophobicContact CD2-CB 3.62Å; F57-R65 HydrophobicContact CE1-CB 4.48Å; F57-R65 HydrophobicContact CE2-CB 3.83Å; F57-R65 HydrophobicContact CG-CB 3.86Å; F57-R65 HydrophobicContact CZ-CB 4.28Å; D62-R65 WeakPolarHBondContact OD1-CB 3.26Å; D62-R65 WeakPolarHBondContact OD1-CG 3.38Å; D62-R65 PolarHBondContact OD1-N 2.93Å; D62-R65 IonicContact OD1-NE 3.59Å; D62-R65 IonicContact OD2-CZ 3.45Å; D62-R65 IonicContact OD2-NE 3.59Å; D62-R65 PolarHBondContact OD2-NE 3.25Å; D62-R65 IonicContact OD2-NH2 2.69Å; D62-R65 PolarHBondContact OD2-NH2 3.42Å; R65-K68 PolarHBondContact O-N 2.99Å; R65-D69 PolarHBondContact O-N 3.27Å
66S92.6Very high89.3Confident8 Ų875 Ų756%0.05639%0.389CS..Hα-helixtrans-59.4-46.6173.8169.60000112.2S54 L58 D62 L63 D69 A70S54-S66 PolarHBondContact O-OG 3.02Å; S54-S66 PolarHBondContact OG-O 3.14Å; S54-S66 PolarHBondContact OG-OG 2.9Å; L58-S66 WeakPolarHBondContact CD2-OG 3.35Å; L58-S66 WeakPolarHBondContact CG-OG 3.5Å; D62-S66 WeakPolarHBondContact O-CB 3.41Å; D62-S66 PolarHBondContact O-N 3.4Å; D62-S66 VanDerWaalsContact O-N 3.12Å; L63-S66 PolarHBondContact O-N 3.45Å; S66-D69 PolarHBondContact O-N 2.98Å; S66-A70 WeakPolarHBondContact O-CB 3.44Å; S66-A70 PolarHBondContact O-N 2.95Å
67L91.4Very high87.4Confident101 Ų10178.7 Ų78.753%0.52941%0.409SS..Hα-helixtrans-64.4-44.4-178.8-174.1139.9000110.6L63 E64 D69 A70 E71L63-L67 VanDerWaalsContact O-CB 3.28Å; L63-L67 WeakPolarHBondContact O-CB 3.45Å; L63-L67 PolarHBondContact O-N 2.91Å; E64-L67 PolarHBondContact O-N 3.26Å; L67-D69 VanDerWaalsContact C-N 3.34Å; L67-D69 PolarHBondContact O-N 3.41Å; L67-A70 WeakPolarHBondContact O-CB 3.38Å; L67-A70 PolarHBondContact O-N 3.32Å; L67-A70 VanDerWaalsContact O-N 3.13Å; L67-E71 VanDerWaalsContact CD2-CD 3.43Å; L67-E71 HydrophobicContact CD2-CG 4.11Å; L67-E71 WeakPolarHBondContact CD2-OE1 3.25Å; L67-E71 WeakPolarHBondContact O-CG 3.45Å; L67-E71 PolarHBondContact O-N 3.24Å
68K91.1Very high85.4Confident148 Ų14883.2 Ų83.264%0.64344%0.44SS*.Hα-helixtrans-57.7-44.3175.5-173.6176.1-178.3176.90112.8E64 R65 E71 A72E64-K68 PolarHBondContact O-N 3.09Å; E64-K68 VanDerWaalsContact O-N 3.07Å; R65-K68 PolarHBondContact O-N 2.99Å; K68-E71 PolarHBondContact O-N 2.98Å; K68-A72 WeakPolarHBondContact O-CB 3.48Å; K68-A72 PolarHBondContact O-N 3.34Å
69D91.7Very high83.5Confident9 Ų983 Ų835%0.04845%0.452CS..Hα-helixtrans-67.6-37.2176.8-83.1-9.2000112R53 F57 R65 S66 L67 A72 S73R53-D69 WeakPolarHBondContact CB-OD2 3.38Å; R53-D69 WeakPolarHBondContact CG-OD2 3.5Å; R53-D69 IonicContact CZ-OD1 3.06Å; R53-D69 IonicContact CZ-OD2 3.62Å; R53-D69 IonicContact NE-OD1 3.78Å; R53-D69 PolarHBondContact NE-OD1 3.42Å; R53-D69 IonicContact NE-OD2 2.77Å; R53-D69 PolarHBondContact NE-OD2 2.99Å; R53-D69 IonicContact NH2-OD1 2.83Å; R53-D69 PolarHBondContact NH2-OD1 2.69Å; R53-D69 IonicContact NH2-OD2 2.68Å; F57-D69 WeakPolarHBondContact CE2-OD2 3.26Å; R65-D69 PolarHBondContact O-N 3.27Å; S66-D69 PolarHBondContact O-N 2.98Å; L67-D69 VanDerWaalsContact C-N 3.34Å; L67-D69 PolarHBondContact O-N 3.41Å; D69-A72 PolarHBondContact O-N 3.45Å; D69-S73 WeakPolarHBondContact O-CB 3.48Å; D69-S73 PolarHBondContact O-N 3.21Å
70A89.2Confident81.5Confident34 Ų3482.8 Ų82.828%0.28145%0.451SS..Hα-helixtrans-64.7-44.8175.700000111.2S66 L67 S73 L74S66-A70 WeakPolarHBondContact O-CB 3.44Å; S66-A70 PolarHBondContact O-N 2.95Å; L67-A70 WeakPolarHBondContact O-CB 3.38Å; L67-A70 PolarHBondContact O-N 3.32Å; L67-A70 VanDerWaalsContact O-N 3.13Å; A70-S73 WeakPolarHBondContact O-CB 3.38Å; A70-S73 PolarHBondContact O-N 2.97Å; A70-S73 PolarHBondContact O-OG 3.07Å; A70-L74 WeakPolarHBondContact O-CG 3.27Å; A70-L74 PolarHBondContact O-N 3.45Å; A70-L74 VanDerWaalsContact O-N 3.16Å
71E89.8Confident79.2Confident96 Ų9684.5 Ų84.545%0.44947%0.47SS..Hα-helixtrans-61.2-46.6174.8-71.9178.9147.300111.7L67 K68 S73 L74 Q75L67-E71 VanDerWaalsContact CD2-CD 3.43Å; L67-E71 HydrophobicContact CD2-CG 4.11Å; L67-E71 WeakPolarHBondContact CD2-OE1 3.25Å; L67-E71 WeakPolarHBondContact O-CG 3.45Å; L67-E71 PolarHBondContact O-N 3.24Å; K68-E71 PolarHBondContact O-N 2.98Å; E71-S73 PolarHBondContact O-N 3.41Å; E71-L74 CarbonylContact O-C 3.56Å; E71-L74 WeakPolarHBondContact O-CA 3.4Å; E71-L74 WeakPolarHBondContact O-CB 3.11Å; E71-L74 PolarHBondContact O-N 2.96Å; E71-Q75 WeakPolarHBondContact O-CG 3.32Å; E71-Q75 PolarHBondContact O-N 3.26Å
72A87.6Confident77.2Confident32 Ų3290.8 Ų90.826%0.26448%0.481SS..Hα-helixtrans-59.2-37.5175.700000111.8L50 K68 D69 L74 Q75L50-A72 HydrophobicContact CD1-CB 3.93Å; L50-A72 HydrophobicContact CD2-CB 4.18Å; K68-A72 WeakPolarHBondContact O-CB 3.48Å; K68-A72 PolarHBondContact O-N 3.34Å; D69-A72 PolarHBondContact O-N 3.45Å; A72-L74 PolarHBondContact O-N 3.06Å; A72-Q75 PolarHBondContact O-N 3.49Å
73S85.4Confident74.9Confident8 Ų895.5 Ų95.56%0.05651%0.511CS..Hα-helixtrans-68.1-23.3177.284.20000113.3D69 A70 E71D69-S73 WeakPolarHBondContact O-CB 3.48Å; D69-S73 PolarHBondContact O-N 3.21Å; A70-S73 WeakPolarHBondContact O-CB 3.38Å; A70-S73 PolarHBondContact O-N 2.97Å; A70-S73 PolarHBondContact O-OG 3.07Å; E71-S73 PolarHBondContact O-N 3.41Å
74L82.1Confident72.7Confident73 Ų7398.6 Ų98.638%0.38253%0.526SS..Hα-helixtrans-89.9-28.5177-68.1169.5000112.5A70 E71 A72 S76 D77 F80A70-L74 WeakPolarHBondContact O-CG 3.27Å; A70-L74 PolarHBondContact O-N 3.45Å; A70-L74 VanDerWaalsContact O-N 3.16Å; E71-L74 CarbonylContact O-C 3.56Å; E71-L74 WeakPolarHBondContact O-CA 3.4Å; E71-L74 WeakPolarHBondContact O-CB 3.11Å; E71-L74 PolarHBondContact O-N 2.96Å; A72-L74 PolarHBondContact O-N 3.06Å; L74-S76 PolarHBondContact O-N 3.34Å; L74-D77 WeakPolarHBondContact O-CB 3.48Å; L74-D77 PolarHBondContact O-N 2.98Å; L74-F80 HydrophobicContact CB-CD1 4.32Å; L74-F80 HydrophobicContact CB-CD2 4.43Å; L74-F80 HydrophobicContact CB-CG 4.25Å; L74-F80 HydrophobicContact CD1-CE2 4.36Å; L74-F80 HydrophobicContact CD1-CZ 4.44Å; L74-F80 WeakPolarHBondContact O-CB 3.25Å
75Q72.9Confident70.1Confident145 Ų14598.9 Ų98.968%0.67856%0.558SS**Hα-helixtrans-64.1-25.1176.8-75.9-177.99.700113.5E71 A72 D77E71-Q75 WeakPolarHBondContact O-CG 3.32Å; E71-Q75 PolarHBondContact O-N 3.26Å; A72-Q75 PolarHBondContact O-N 3.49Å; Q75-D77 PolarHBondContact O-N 3.23Å
76S60.7Low69.1Low77 Ų7796.7 Ų96.754%0.53856%0.559SS.*THydrogen-bonded Turntrans-70-11.3170.8-83.10000113.6L74 P78L74-S76 PolarHBondContact O-N 3.34Å; S76-P78 WeakPolarHBondContact O-CD 3.35Å
77D56.4Low67.9Low76 Ų76101.4 Ų101.441%0.40659%0.585SS.*SBendtrans-88.5110.9170.6-158.1-38.5000109.3L74 Q75 A79 F80L74-D77 WeakPolarHBondContact O-CB 3.48Å; L74-D77 PolarHBondContact O-N 2.98Å; Q75-D77 PolarHBondContact O-N 3.23Å; D77-A79 PolarHBondContact O-N 3.37Å; D77-A79 WeakPolarHBondContact OD1-CB 3.36Å; D77-A79 PolarHBondContact OD1-N 2.67Å; D77-F80 PolarHBondContact O-N 2.72Å
78P53.9Low66.5Low117 Ų117101.4 Ų101.476%0.7659%0.588SS**THydrogen-bonded Turntrans-61.4-11.5-179.823-31.5000113.4S76 F80S76-P78 WeakPolarHBondContact O-CD 3.35Å; P78-F80 VanDerWaalsContact C-N 3.34Å
79A56.1Low65.1Low86 Ų8698.6 Ų98.671%0.71159%0.585SS**THydrogen-bonded Turntrans-74.9-19.6171.700000113.8D77D77-A79 PolarHBondContact O-N 3.37Å; D77-A79 WeakPolarHBondContact OD1-CB 3.36Å; D77-A79 PolarHBondContact OD1-N 2.67Å
80F51.5Low63.4Low122 Ų122104.3 Ų104.354%0.53562%0.619SS.*SBendtrans-85.7-7.6-178.9-158-99.7000113.1L74 D77 P78 K82L74-F80 HydrophobicContact CB-CD1 4.32Å; L74-F80 HydrophobicContact CB-CD2 4.43Å; L74-F80 HydrophobicContact CB-CG 4.25Å; L74-F80 HydrophobicContact CD1-CE2 4.36Å; L74-F80 HydrophobicContact CD1-CZ 4.44Å; L74-F80 WeakPolarHBondContact O-CB 3.25Å; D77-F80 PolarHBondContact O-N 2.72Å; P78-F80 VanDerWaalsContact C-N 3.34Å; F80-K82 PolarHBondContact O-N 3.49Å
81C46.9Very low61.7Low119 Ų119108.9 Ų108.980%0.80464%0.641SS**  trans-78.130.6-176.5-1480000114.5
82K49.8Very low59.7Low188 Ų188109.9 Ų109.982%0.81766%0.655SS**  trans-128.1137.3168.8-91.6-178.7176.3175.70109.4F80F80-K82 PolarHBondContact O-N 3.49Å
83V46.7Very low57.6Low136 Ų136115.8 Ų115.882%0.82469%0.685SS**SBendtrans94.653.1171.1-154.40000115.7
84I45.7Very low55.3Low183 Ų183124.8 Ų124.894%0.93874%0.737SS**  trans-144.492.1131.224.3175.3000107
85A40.3Very low52.8Low176 Ų176129.5 Ų129.5100%1.45577%0.77SS**  trans-106.80164.400000107.5

Retrieved 85 of 85 residues in 34.3 ms (Link to these results)

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