A0A087WXS8_HUMAN Loading...

Centrosomal protein 89

AlphaFold DB , UniProt , Accession A0A087WXS8, Species HUMAN (Homo sapiens, Human), Gene CEP89, Length 80 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
1M37.8Very low48.5Very low250 Ų250175.8 Ų175.8100%1.23285%0.849SS**  01240-147.2149.7173.800107.5
2L46.6Very low48.4Very low164 Ų164176 Ų17686%0.85985%0.847SS**  trans-71.4144.7-171.9-69.4143.2000111.7
3L46.5Very low47.7Very low160 Ų160173.5 Ų173.584%0.83883%0.83SS**  -161.7113.2108-147.273.7000110.7
4G56Low48.8Very low67 Ų67176.4 Ų176.469%0.69184%0.837SS**  trans-75.7139.6164.600000110.2
5F42.8Very low48.4Very low174 Ų174174.3 Ų174.376%0.76383%0.827SS**  trans-116.289.6160.6-141.9-95.5000108.6R7F5-R7 PolarHBondContact O-N 3.04Å
6R57.7Low48.8Very low243 Ų243167.4 Ų167.492%0.91782%0.816SS**  trans-63101.5164-63.9-177.6-139.9-133.12.7107G8R6-G8 PolarHBondContact O-N 3.43Å
7R52.9Low48.5Very low229 Ų229166.6 Ų166.686%0.86482%0.815SS**  trans-87.5106.3160.7-148.8163.2-175.4142.1-1.6107.1F5 R9F5-R7 PolarHBondContact O-N 3.04Å; R7-R9 PolarHBondContact O-N 2.92Å
8G44.9Very low48.4Very low60 Ų60162.9 Ų162.962%0.61982%0.816SS**  trans-46.1132.5-169.900000112.7R6 R10R6-G8 PolarHBondContact O-N 3.43Å; G8-R10 PolarHBondContact O-N 3.44Å
9R50.9Low48.5Very low247 Ų247159.5 Ų159.593%0.93280%0.8SS**  trans-45.5105155.9-68.3178-74.3180-1.6107.1R7 S11R7-R9 PolarHBondContact O-N 2.92Å; R9-S11 PolarHBondContact O-N 2.86Å
10R48.1Very low48.6Very low234 Ų234155 Ų15588%0.88378%0.784SS**  trans-68.989.4162.1-77.2-175.3178.3174.1-2105.6G8 H12G8-R10 PolarHBondContact O-N 3.44Å; R10-H12 PolarHBondContact O-N 2.89Å
11S49.6Very low48.8Very low106 Ų106152.7 Ų152.774%0.74178%0.78SS**  trans-63.283.4164.4170.60000107.6R9R9-S11 PolarHBondContact O-N 2.86Å
12H47.1Very low49.5Very low178 Ų178147.4 Ų147.482%0.82475%0.746SS**  trans-97.188.3150.1-81.8-143.5000105.3R10R10-H12 PolarHBondContact O-N 2.89Å
13F39.5Very low49.8Very low144 Ų144144.9 Ų144.963%0.63273%0.733SS**  trans46.296.2146.5-148.8-118.9000116.6Q15F13-Q15 VanDerWaalsContact C-N 3.3Å; F13-Q15 HydrophobicContact CD1-CB 3.71Å; F13-Q15 HydrophobicContact CD1-CG 3.8Å; F13-Q15 HydrophobicContact CE1-CB 3.57Å; F13-Q15 HydrophobicContact CE1-CG 3.41Å; F13-Q15 VanDerWaalsContact CE1-CG 3.41Å; F13-Q15 HydrophobicContact CE2-CG 4.33Å; F13-Q15 HydrophobicContact CG-CG 4.45Å; F13-Q15 HydrophobicContact CZ-CB 4.37Å; F13-Q15 HydrophobicContact CZ-CG 3.7Å; F13-Q15 PolarHBondContact O-N 2.97Å
14K62.5Low50.3Low214 Ų214143.9 Ų143.993%0.9372%0.724SS**  trans-66.687.9157.8-66.1-160.7-179.2-163.50109.7
15Q43.8Very low50.3Low145 Ų145143.3 Ų143.368%0.67871%0.709SS**  trans-149.388.1157.9-66.7-168.6-14.200105.9F13F13-Q15 VanDerWaalsContact C-N 3.3Å; F13-Q15 HydrophobicContact CD1-CB 3.71Å; F13-Q15 HydrophobicContact CD1-CG 3.8Å; F13-Q15 HydrophobicContact CE1-CB 3.57Å; F13-Q15 HydrophobicContact CE1-CG 3.41Å; F13-Q15 VanDerWaalsContact CE1-CG 3.41Å; F13-Q15 HydrophobicContact CE2-CG 4.33Å; F13-Q15 HydrophobicContact CG-CG 4.45Å; F13-Q15 HydrophobicContact CZ-CB 4.37Å; F13-Q15 HydrophobicContact CZ-CG 3.7Å; F13-Q15 PolarHBondContact O-N 2.97Å
16G53.9Low51.3Low63 Ų63137.6 Ų137.665%0.64969%0.69SS**  106.614083.300000106.9
17L44.1Very low51.9Low154 Ų154127.7 Ų127.781%0.80666%0.664SS**  trans84.9117.3-173.2-51.8160.1000112.7L19L17-L19 HydrophobicContact CB-CD2 4.33Å; L17-L19 PolarHBondContact O-N 2.76Å
18A47.4Very low52.7Low100 Ų100119.8 Ų119.883%0.82665%0.648SS**  trans-46.990.4141.400000107.1S20A18-S20 VanDerWaalsContact C-N 3.32Å; A18-S20 PolarHBondContact O-N 2.88Å
19L50.3Low53.6Low99 Ų99118.7 Ų118.752%0.51863%0.627SS.*  trans-63.6105.8173.4-71.9174.2000104L17 L23L17-L19 HydrophobicContact CB-CD2 4.33Å; L17-L19 PolarHBondContact O-N 2.76Å; L19-L23 HydrophobicContact CD2-CD2 4.32Å
20S49Very low54.4Low68 Ų68111.3 Ų111.348%0.47661%0.605SS.*  trans-43.8143.9-177-56.70000109.4A18 R22 L23 E24A18-S20 VanDerWaalsContact C-N 3.32Å; A18-S20 PolarHBondContact O-N 2.88Å; S20-R22 CarbonylContact O-C 3.58Å; S20-R22 PolarHBondContact O-N 3.29Å; S20-L23 PolarHBondContact O-N 2.86Å; S20-E24 PolarHBondContact O-N 2.79Å
21P53.2Low55.2Low108 Ų108103 Ų10370%0.70159%0.586SS**Hα-helixtrans-50.9-21.7177.417.6-30.7000112.7C25P21-C25 VanDerWaalsContact O-CB 3.28Å; P21-C25 WeakPolarHBondContact O-CB 3.41Å; P21-C25 PolarHBondContact O-N 3.44Å; P21-C25 PolarHBondContact O-SG 3.48Å; P21-C25 VanDerWaalsContact O-SG 3.37Å
22R52.5Low56.2Low138 Ų138103 Ų10352%0.52158%0.575SS.*Hα-helixtrans-62.7-39.8170.9-143177.3-164.1-101.732.6115.7S20 S26 D72S20-R22 CarbonylContact O-C 3.58Å; S20-R22 PolarHBondContact O-N 3.29Å; R22-S26 WeakPolarHBondContact O-CB 3.28Å; R22-S26 PolarHBondContact O-N 3.28Å; R22-D72 IonicContact CZ-OD1 3.96Å; R22-D72 IonicContact CZ-OD2 3.45Å; R22-D72 IonicContact NE-OD2 3.02Å; R22-D72 IonicContact NH1-OD1 3.08Å; R22-D72 PolarHBondContact NH1-OD1 3.33Å; R22-D72 IonicContact NH1-OD2 3.44Å; R22-D72 PolarHBondContact NH1-OD2 3.4Å; R22-D72 IonicContact NH2-OD1 2.88Å; R22-D72 PolarHBondContact NH2-OD1 2.89Å; R22-D72 IonicContact NH2-OD2 2.79Å; R22-D72 PolarHBondContact NH2-OD2 3.37Å
23L54.3Low57.1Low111 Ų11196.5 Ų96.558%0.58155%0.548SS*.Hα-helixtrans-78.8-34.6178.5-124.7133.5000110.7L19 S20 S26 G27L19-L23 HydrophobicContact CD2-CD2 4.32Å; S20-L23 PolarHBondContact O-N 2.86Å; L23-S26 PolarHBondContact O-N 2.75Å; L23-G27 PolarHBondContact O-N 2.75Å
24E55.8Low58.3Low140 Ų14094.3 Ų94.365%0.65454%0.542SS*.Hα-helixtrans-66.1-44.2169.6-67.8-139.2111.200111.8S20 G27 A28S20-E24 PolarHBondContact O-N 2.79Å; E24-G27 PolarHBondContact O-N 3.05Å; E24-A28 WeakPolarHBondContact O-CB 3.45Å; E24-A28 PolarHBondContact O-N 2.88Å
25C56.3Low58.5Low55 Ų5590.1 Ų90.137%0.37253%0.529SS..Hα-helixtrans-59.3-49172-83.10000111P21 G27 A28 I29P21-C25 VanDerWaalsContact O-CB 3.28Å; P21-C25 WeakPolarHBondContact O-CB 3.41Å; P21-C25 PolarHBondContact O-N 3.44Å; P21-C25 PolarHBondContact O-SG 3.48Å; P21-C25 VanDerWaalsContact O-SG 3.37Å; C25-G27 VanDerWaalsContact C-N 3.31Å; C25-G27 PolarHBondContact O-N 3.23Å; C25-A28 PolarHBondContact O-N 3.15Å; C25-I29 WeakPolarHBondContact O-CD1 3.2Å; C25-I29 PolarHBondContact O-N 3.45Å
26S64.6Low59.6Low53 Ų5388.9 Ų88.937%0.37152%0.524SS..Hα-helixtrans-62.3-40179.1-145.60000112R22 L23 I29 I30R22-S26 WeakPolarHBondContact O-CB 3.28Å; R22-S26 PolarHBondContact O-N 3.28Å; L23-S26 PolarHBondContact O-N 2.75Å; S26-I29 PolarHBondContact O-N 2.8Å; S26-I30 WeakPolarHBondContact O-CB 3.48Å; S26-I30 WeakPolarHBondContact O-CD1 3.27Å; S26-I30 WeakPolarHBondContact O-CG1 3.28Å; S26-I30 PolarHBondContact O-N 3.36Å
27G69.1Low59.9Low36 Ų3691.3 Ų91.337%0.37152%0.521SS..Hα-helixtrans-62.7-43.2175.100000113.3L23 E24 C25 I30 A31L23-G27 PolarHBondContact O-N 2.75Å; E24-G27 PolarHBondContact O-N 3.05Å; C25-G27 VanDerWaalsContact C-N 3.31Å; C25-G27 PolarHBondContact O-N 3.23Å; G27-I30 PolarHBondContact O-N 2.84Å; G27-A31 VanDerWaalsContact O-CB 3.3Å; G27-A31 WeakPolarHBondContact O-CB 3.41Å; G27-A31 PolarHBondContact O-N 3.29Å
28A69.8Low60.6Low62 Ų6289 Ų8951%0.51251%0.509SS..Hα-helixtrans-64.8-39.9176.900000112.2E24 C25 A31 H32E24-A28 WeakPolarHBondContact O-CB 3.45Å; E24-A28 PolarHBondContact O-N 2.88Å; C25-A28 PolarHBondContact O-N 3.15Å; A28-A31 PolarHBondContact O-N 2.89Å; A28-H32 WeakPolarHBondContact O-CB 3.3Å; A28-H32 PolarHBondContact O-N 3.47Å
29I63.4Low61Low37 Ų3786.3 Ų86.319%0.1949%0.491CS..Hα-helixtrans-70.9-39.4175.9-78.197.1000112.1C25 S26 A31 H32 C33 F67C25-I29 WeakPolarHBondContact O-CD1 3.2Å; C25-I29 PolarHBondContact O-N 3.45Å; S26-I29 PolarHBondContact O-N 2.8Å; I29-A31 VanDerWaalsContact C-N 3.32Å; I29-H32 PolarHBondContact O-N 2.86Å; I29-C33 WeakPolarHBondContact O-CB 3.43Å; I29-C33 PolarHBondContact O-N 2.88Å; I29-C33 PolarHBondContact O-SG 3.47Å; I29-F67 HydrophobicContact CG1-CD1 4.46Å; I29-F67 HydrophobicContact CG1-CE1 3.92Å; I29-F67 HydrophobicContact CG2-CD1 4.02Å; I29-F67 HydrophobicContact CG2-CE1 4.27Å
30I68.1Low61.2Low93 Ų9385.4 Ų85.448%0.47749%0.493SS..Hα-helixtrans-62.8-43.8174.3-70.1164.5000109.7S26 G27 H32 C33 I34S26-I30 WeakPolarHBondContact O-CB 3.48Å; S26-I30 WeakPolarHBondContact O-CD1 3.27Å; S26-I30 WeakPolarHBondContact O-CG1 3.28Å; S26-I30 PolarHBondContact O-N 3.36Å; G27-I30 PolarHBondContact O-N 2.84Å; I30-H32 VanDerWaalsContact C-N 3.35Å; I30-H32 PolarHBondContact O-N 2.85Å; I30-C33 PolarHBondContact O-N 3.3Å; I30-I34 HydrophobicContact CG2-CD1 3.52Å; I30-I34 HydrophobicContact CG2-CG1 4.26Å; I30-I34 WeakPolarHBondContact O-CB 3.38Å; I30-I34 WeakPolarHBondContact O-CG1 3.39Å; I30-I34 PolarHBondContact O-N 3.47Å
31A66Low61.5Low58 Ų5885.7 Ų85.748%0.47950%0.495SS..Hα-helixtrans-61.8-41.1175.400000112.1G27 A28 I29 I34 L35G27-A31 VanDerWaalsContact O-CB 3.3Å; G27-A31 WeakPolarHBondContact O-CB 3.41Å; G27-A31 PolarHBondContact O-N 3.29Å; A28-A31 PolarHBondContact O-N 2.89Å; I29-A31 VanDerWaalsContact C-N 3.32Å; A31-I34 PolarHBondContact O-N 3.49Å; A31-L35 WeakPolarHBondContact O-CB 3.15Å; A31-L35 PolarHBondContact O-N 3.4Å
32H69.7Low61.7Low108 Ų10886.8 Ų86.850%0.550%0.495SS..Hα-helixtrans-64.6-46.3175.4-166.3-80.7000112A28 I29 I30 I34 L35 E36A28-H32 WeakPolarHBondContact O-CB 3.3Å; A28-H32 PolarHBondContact O-N 3.47Å; I29-H32 PolarHBondContact O-N 2.86Å; I30-H32 VanDerWaalsContact C-N 3.35Å; I30-H32 PolarHBondContact O-N 2.85Å; H32-I34 PolarHBondContact O-N 3.4Å; H32-L35 PolarHBondContact O-N 3.39Å; H32-E36 IonicContact CE1-OE1 2.55Å; H32-E36 PolarHBondContact CE1-OE1 3.44Å; H32-E36 IonicContact CE1-OE2 3.34Å; H32-E36 PolarHBondContact CE1-OE2 3.45Å; H32-E36 IonicContact ND1-OE1 3.15Å; H32-E36 IonicContact ND1-OE2 3.86Å; H32-E36 PolarHBondContact ND1-OE2 2.95Å; H32-E36 VanDerWaalsContact ND1-OE2 3.15Å; H32-E36 WeakPolarHBondContact O-CB 3.38Å; H32-E36 PolarHBondContact O-N 3.48Å
33C66.3Low61.7Low40 Ų4086.6 Ų86.627%0.2750%0.503SS..Hα-helixtrans-63.4-40.4177.1-73.50000112I29 I30 L35 L37I29-C33 WeakPolarHBondContact O-CB 3.43Å; I29-C33 PolarHBondContact O-N 2.88Å; I29-C33 PolarHBondContact O-SG 3.47Å; I30-C33 PolarHBondContact O-N 3.3Å; C33-L35 VanDerWaalsContact C-N 3.34Å; C33-L37 WeakPolarHBondContact O-CB 2.89Å; C33-L37 PolarHBondContact O-N 2.79Å
34I64.9Low61.7Low99 Ų9986.2 Ų86.251%0.50851%0.508SS..Hα-helixtrans-68-38.1176.3-67.5167.5000110I30 A31 H32 L37 L38I30-I34 HydrophobicContact CG2-CD1 3.52Å; I30-I34 HydrophobicContact CG2-CG1 4.26Å; I30-I34 WeakPolarHBondContact O-CB 3.38Å; I30-I34 WeakPolarHBondContact O-CG1 3.39Å; I30-I34 PolarHBondContact O-N 3.47Å; A31-I34 PolarHBondContact O-N 3.49Å; H32-I34 PolarHBondContact O-N 3.4Å; I34-L37 PolarHBondContact O-N 3.02Å; I34-L38 WeakPolarHBondContact O-CB 3.38Å; I34-L38 PolarHBondContact O-N 3.34Å
35L65.9Low61Low125 Ų12585.2 Ų85.265%0.65451%0.511SS*.Hα-helixtrans-70.8-40.1178-168.171.1000112.4A31 H32 C33 G39A31-L35 WeakPolarHBondContact O-CB 3.15Å; A31-L35 PolarHBondContact O-N 3.4Å; H32-L35 PolarHBondContact O-N 3.39Å; C33-L35 VanDerWaalsContact C-N 3.34Å; L35-G39 WeakPolarHBondContact O-CA 3.24Å; L35-G39 PolarHBondContact O-N 2.85Å
36E67.6Low60.7Low119 Ų11988.3 Ų88.356%0.55653%0.531SS*.Hα-helixtrans-66.5-39171.5-78.7-175132.600111.4H32 S40H32-E36 IonicContact CE1-OE1 2.55Å; H32-E36 PolarHBondContact CE1-OE1 3.44Å; H32-E36 IonicContact CE1-OE2 3.34Å; H32-E36 PolarHBondContact CE1-OE2 3.45Å; H32-E36 IonicContact ND1-OE1 3.15Å; H32-E36 IonicContact ND1-OE2 3.86Å; H32-E36 PolarHBondContact ND1-OE2 2.95Å; H32-E36 VanDerWaalsContact ND1-OE2 3.15Å; H32-E36 WeakPolarHBondContact O-CB 3.38Å; H32-E36 PolarHBondContact O-N 3.48Å; E36-S40 WeakPolarHBondContact O-CA 3.43Å; E36-S40 WeakPolarHBondContact O-CB 3.33Å; E36-S40 PolarHBondContact O-N 2.55Å
37L59.3Low59.6Low114 Ų11490.1 Ų90.160%0.59755%0.549SS*.Hα-helixtrans-67.2-43.2176.1-177.363.6000111.5C33 I34 S41C33-L37 WeakPolarHBondContact O-CB 2.89Å; C33-L37 PolarHBondContact O-N 2.79Å; I34-L37 PolarHBondContact O-N 3.02Å; L37-S41 WeakPolarHBondContact O-CB 3.02Å; L37-S41 PolarHBondContact O-N 3.3Å; L37-S41 PolarHBondContact O-OG 2.88Å
38L58.6Low59.2Low106 Ų10693.6 Ų93.656%0.55557%0.568SS**Hα-helixtrans-72.3-43179.7-163.663.4000110.7I34 S40 S41 D42I34-L38 WeakPolarHBondContact O-CB 3.38Å; I34-L38 PolarHBondContact O-N 3.34Å; L38-S40 VanDerWaalsContact C-N 3.31Å; L38-S40 PolarHBondContact O-N 3.11Å; L38-S41 WeakPolarHBondContact O-CA 3.44Å; L38-S41 WeakPolarHBondContact O-CB 3.16Å; L38-S41 PolarHBondContact O-N 3.17Å; L38-D42 PolarHBondContact O-N 3.49Å
39G55.8Low58.3Low43 Ų4399.1 Ų99.144%0.44358%0.575SS.*Hα-helixtrans-66.8-28.5173.600000113.7L35L35-G39 WeakPolarHBondContact O-CA 3.24Å; L35-G39 PolarHBondContact O-N 2.85Å
40S55.3Low57.7Low81 Ų81101.1 Ų101.157%0.56661%0.605SS**Hα-helixtrans-79.1-20.3168.9178.60000112.7E36 L38 D42E36-S40 WeakPolarHBondContact O-CA 3.43Å; E36-S40 WeakPolarHBondContact O-CB 3.33Å; E36-S40 PolarHBondContact O-N 2.55Å; L38-S40 VanDerWaalsContact C-N 3.31Å; L38-S40 PolarHBondContact O-N 3.11Å; S40-D42 VanDerWaalsContact C-N 3.32Å
41S56Low56.7Low73 Ų73100.4 Ų100.451%0.5161%0.613SS.*Hα-helixtrans-76.8-21.8177.7-63.20000112.2L37 L38 L43L37-S41 WeakPolarHBondContact O-CB 3.02Å; L37-S41 PolarHBondContact O-N 3.3Å; L37-S41 PolarHBondContact O-OG 2.88Å; L38-S41 WeakPolarHBondContact O-CA 3.44Å; L38-S41 WeakPolarHBondContact O-CB 3.16Å; L38-S41 PolarHBondContact O-N 3.17Å; S41-L43 VanDerWaalsContact C-N 3.35Å
42D57.5Low56Low132 Ų132104.4 Ų104.471%0.70662%0.622SS**THydrogen-bonded Turntrans-87.43.5174.8-68.9-50.6000114.2L38 S40 P44L38-D42 PolarHBondContact O-N 3.49Å; S40-D42 VanDerWaalsContact C-N 3.32Å; D42-P44 WeakPolarHBondContact O-CD 3.35Å
43L51.4Low55.2Low133 Ų133103.5 Ų103.570%0.69662%0.624SS**  trans-102.760.1166.2-80.9152.8000112.6S41 T45S41-L43 VanDerWaalsContact C-N 3.35Å; L43-T45 VanDerWaalsContact C-N 3.31Å; L43-T45 PolarHBondContact O-N 2.88Å
44P54.4Low54.7Low103 Ų103106.7 Ų106.767%0.66964%0.642SS**  trans-93.370.1155.537.3-25.9000107.5D42 P46D42-P44 WeakPolarHBondContact O-CD 3.35Å; P44-P46 WeakPolarHBondContact O-CD 3.37Å
45T42Very low54.2Low119 Ų119103.7 Ų103.773%0.7364%0.635SS**  trans-79.4118.2162.7-46.10000106.8L43 A47L43-T45 VanDerWaalsContact C-N 3.31Å; L43-T45 PolarHBondContact O-N 2.88Å; T45-A47 PolarHBondContact O-N 3.33Å
46P50Low53.6Low121 Ų121101 Ų10179%0.78663%0.632SS**  trans-83102.1-161.732.3-32.9000110.2P44P44-P46 WeakPolarHBondContact O-CD 3.37Å
47A41.2Very low53.5Low91 Ų91104.4 Ų104.475%0.75264%0.639SS**  trans-157.193.9162.700000111.3T45T45-A47 PolarHBondContact O-N 3.33Å
48S61.1Low53.6Low109 Ų109103.9 Ų103.976%0.76263%0.634SS**  trans32.393.6146174.40000117.9
49R49.4Very low53.6Low177 Ų177106.5 Ų106.567%0.66864%0.637SS**  -169.4103.5121-144.4158.7-82.2169.3-5.5111.9A51R49-A51 HydrophobicContact CG-CB 4.16Å; R49-A51 PolarHBondContact O-N 3Å
50G50.5Low53.9Low80 Ų80107.2 Ų107.283%0.82564%0.636SS**THydrogen-bonded Turntrans-66.521.7172.400000115.5
51A48.8Very low54.4Low77 Ų77111.5 Ų111.564%0.63664%0.639SS**THydrogen-bonded Turntrans-114.4-17.5-178.300000114R49R49-A51 HydrophobicContact CG-CB 4.16Å; R49-A51 PolarHBondContact O-N 3Å
52E51.2Low54.8Low143 Ų143112.2 Ų112.267%0.66864%0.637SS**THydrogen-bonded Turntrans-100.2-18.1-177.3-77.9176.3116.800113.9T54E52-T54 VanDerWaalsContact C-N 3.3Å; E52-T54 PolarHBondContact O-N 2.94Å
53T52.3Low55.1Low88 Ų88111.5 Ų111.554%0.5463%0.632SS.*Hα-helixtrans-77.2-14.3-176.853.60000113.8R57T53-R57 WeakPolarHBondContact O-CB 3.49Å; T53-R57 PolarHBondContact O-N 3.42Å
54T55.5Low55.7Low108 Ų108108.7 Ų108.766%0.66362%0.62SS**Hα-helixtrans-79.4-33.7-179.6-52.60000111.7E52 H58E52-T54 VanDerWaalsContact C-N 3.3Å; E52-T54 PolarHBondContact O-N 2.94Å; T54-H58 WeakPolarHBondContact O-CB 3.1Å
55G54.7Low56.1Low35 Ų35110 Ų11036%0.36162%0.617SS.*Hα-helixtrans-74-56.5176.900000112.5R57 H58 Y59G55-R57 VanDerWaalsContact C-N 3.31Å; G55-R57 PolarHBondContact O-N 2.64Å; G55-H58 WeakPolarHBondContact O-CB 3.11Å; G55-H58 PolarHBondContact O-N 2.78Å; G55-H58 VanDerWaalsContact O-N 3.08Å; G55-Y59 WeakPolarHBondContact O-CD2 3.02Å; G55-Y59 PolarHBondContact O-N 3.45Å
56A54.1Low57.1Low70 Ų70111.5 Ų111.558%0.57961%0.611SS**Hα-helixtrans-61.7-36.1-175.900000113.5H58 Y59 S60A56-H58 VanDerWaalsContact C-N 3.33Å; A56-Y59 PolarHBondContact O-N 2.8Å; A56-S60 PolarHBondContact O-N 2.88Å; A56-S60 PolarHBondContact O-OG 2.94Å
57R63.7Low57.4Low190 Ų190110 Ų11072%0.71759%0.592SS**Hα-helixtrans-74.5-23.9178.6-151.5176.8-160.6179.45.6112.6T53 G55 S60 R61T53-R57 WeakPolarHBondContact O-CB 3.49Å; T53-R57 PolarHBondContact O-N 3.42Å; G55-R57 VanDerWaalsContact C-N 3.31Å; G55-R57 PolarHBondContact O-N 2.64Å; R57-S60 WeakPolarHBondContact CA-OG 2.98Å; R57-S60 PolarHBondContact O-OG 3.44Å; R57-R61 VanDerWaalsContact O-CB 3.28Å; R57-R61 WeakPolarHBondContact O-CB 3.49Å; R57-R61 PolarHBondContact O-N 3.14Å
58H62.1Low58.2Low103 Ų103110.3 Ų110.348%0.47759%0.588SS.*Hα-helixtrans-74.2-45.1173-164.963.6000110.8T54 G55 A56 R61 L62T54-H58 WeakPolarHBondContact O-CB 3.1Å; G55-H58 WeakPolarHBondContact O-CB 3.11Å; G55-H58 PolarHBondContact O-N 2.78Å; G55-H58 VanDerWaalsContact O-N 3.08Å; A56-H58 VanDerWaalsContact C-N 3.33Å; H58-R61 PolarHBondContact O-N 3.41Å; H58-L62 WeakPolarHBondContact O-CB 3.17Å; H58-L62 VanDerWaalsContact O-CG 3.26Å; H58-L62 WeakPolarHBondContact O-CG 3.38Å; H58-L62 PolarHBondContact O-N 2.91Å
59Y59.3Low58.2Low161 Ų161108 Ų10863%0.63158%0.58SS**Hα-helixtrans-61.3-44.8174.9-69.7-73.1000112.6G55 A56 R61 L62 I63G55-Y59 WeakPolarHBondContact O-CD2 3.02Å; G55-Y59 PolarHBondContact O-N 3.45Å; A56-Y59 PolarHBondContact O-N 2.8Å; Y59-R61 VanDerWaalsContact C-N 3.33Å; Y59-R61 PolarHBondContact O-N 3.11Å; Y59-L62 PolarHBondContact O-N 3.31Å; Y59-I63 WeakPolarHBondContact O-CD1 2.81Å; Y59-I63 VanDerWaalsContact O-CG1 3.28Å; Y59-I63 WeakPolarHBondContact O-CG1 3.28Å; Y59-I63 PolarHBondContact O-N 3.19Å
60S60.8Low58.3Low58 Ų58103.3 Ų103.341%0.40657%0.569SS.*Hα-helixtrans-64-38.4176.9640000112.3A56 R57 I63 V64A56-S60 PolarHBondContact O-N 2.88Å; A56-S60 PolarHBondContact O-OG 2.94Å; R57-S60 WeakPolarHBondContact CA-OG 2.98Å; R57-S60 PolarHBondContact O-OG 3.44Å; S60-I63 PolarHBondContact O-N 2.79Å; S60-V64 VanDerWaalsContact O-CG2 3.31Å; S60-V64 WeakPolarHBondContact O-CG2 3.38Å; S60-V64 PolarHBondContact O-N 3.32Å
61R66.5Low58.5Low170 Ų170100.7 Ų100.764%0.64253%0.534SS*.Hα-helixtrans-67.1-37.4175.6-163.1164.686.7179.47112.4R57 H58 Y59 Q65R57-R61 VanDerWaalsContact O-CB 3.28Å; R57-R61 WeakPolarHBondContact O-CB 3.49Å; R57-R61 PolarHBondContact O-N 3.14Å; H58-R61 PolarHBondContact O-N 3.41Å; Y59-R61 VanDerWaalsContact C-N 3.33Å; Y59-R61 PolarHBondContact O-N 3.11Å; R61-Q65 VanDerWaalsContact O-CB 3.25Å; R61-Q65 WeakPolarHBondContact O-CB 3.46Å; R61-Q65 PolarHBondContact O-N 3.24Å
62L64.4Low58.7Low89 Ų89100.3 Ų100.347%0.46652%0.521SS..Hα-helixtrans-66.5-39.9174.7-71.4171.9000111.9H58 Y59 Q65 Y66H58-L62 WeakPolarHBondContact O-CB 3.17Å; H58-L62 VanDerWaalsContact O-CG 3.26Å; H58-L62 WeakPolarHBondContact O-CG 3.38Å; H58-L62 PolarHBondContact O-N 2.91Å; Y59-L62 PolarHBondContact O-N 3.31Å; L62-Q65 PolarHBondContact O-N 3.16Å; L62-Y66 WeakPolarHBondContact O-CB 3.49Å; L62-Y66 PolarHBondContact O-N 2.99Å
63I64.7Low58.6Low116 Ų11699.2 Ų99.260%0.59552%0.519SS*.Hα-helixtrans-63.2-47.7175.3-68.3161.2000110Y59 S60 Q65 Y66 F67Y59-I63 WeakPolarHBondContact O-CD1 2.81Å; Y59-I63 VanDerWaalsContact O-CG1 3.28Å; Y59-I63 WeakPolarHBondContact O-CG1 3.28Å; Y59-I63 PolarHBondContact O-N 3.19Å; S60-I63 PolarHBondContact O-N 2.79Å; I63-Q65 VanDerWaalsContact C-N 3.34Å; I63-Q65 PolarHBondContact O-N 3.06Å; I63-Y66 PolarHBondContact O-N 3.44Å; I63-F67 VanDerWaalsContact O-CB 3.28Å; I63-F67 WeakPolarHBondContact O-CB 3.31Å; I63-F67 PolarHBondContact O-N 2.89Å
64V63.1Low58.7Low75 Ų7596.6 Ų96.646%0.45551%0.507SS..Hα-helixtrans-62.9-39.9177.4172.90000111.4S60 C68S60-V64 VanDerWaalsContact O-CG2 3.31Å; S60-V64 WeakPolarHBondContact O-CG2 3.38Å; S60-V64 PolarHBondContact O-N 3.32Å; V64-C68 WeakPolarHBondContact O-CB 2.97Å; V64-C68 PolarHBondContact O-N 3.17Å
65Q62.6Low58.6Low129 Ų12995.4 Ų95.460%0.60350%0.495SS*.Hα-helixtrans-72.5-40.8178.8-165.7107.283.700112.7R61 L62 I63 G69R61-Q65 VanDerWaalsContact O-CB 3.25Å; R61-Q65 WeakPolarHBondContact O-CB 3.46Å; R61-Q65 PolarHBondContact O-N 3.24Å; L62-Q65 PolarHBondContact O-N 3.16Å; I63-Q65 VanDerWaalsContact C-N 3.34Å; I63-Q65 PolarHBondContact O-N 3.06Å; Q65-G69 WeakPolarHBondContact O-CA 3.36Å; Q65-G69 PolarHBondContact O-N 3.49Å
66Y63.2Low58.3Low151 Ų151100.5 Ų100.559%0.59251%0.507SS*.Hα-helixtrans-63-45.7176.4176.2-101000110.8L62 I63 N70L62-Y66 WeakPolarHBondContact O-CB 3.49Å; L62-Y66 PolarHBondContact O-N 2.99Å; I63-Y66 PolarHBondContact O-N 3.44Å; Y66-N70 WeakPolarHBondContact O-CB 3.4Å; Y66-N70 PolarHBondContact O-N 2.92Å; Y66-N70 VanDerWaalsContact O-N 3.07Å; Y66-N70 PolarHBondContact O-ND2 3.27Å
67F55.8Low58.3Low90 Ų90103.8 Ų103.840%0.39551%0.514SS..Hα-helixtrans-62.7-64172.9-138.8-142.4000108.2I29 I63 G69 N70 R71I29-F67 HydrophobicContact CG1-CD1 4.46Å; I29-F67 HydrophobicContact CG1-CE1 3.92Å; I29-F67 HydrophobicContact CG2-CD1 4.02Å; I29-F67 HydrophobicContact CG2-CE1 4.27Å; I63-F67 VanDerWaalsContact O-CB 3.28Å; I63-F67 WeakPolarHBondContact O-CB 3.31Å; I63-F67 PolarHBondContact O-N 2.89Å; F67-G69 VanDerWaalsContact C-N 3.27Å; F67-G69 PolarHBondContact O-N 3.29Å; F67-G69 VanDerWaalsContact O-N 3.11Å; F67-N70 PolarHBondContact O-N 3.44Å; F67-R71 VanDerWaalsContact CD1-CZ 3.48Å; F67-R71 HydrophobicContact CG-CG 4.32Å; F67-R71 VanDerWaalsContact CG-NE 3.25Å; F67-R71 WeakPolarHBondContact O-CA 3.25Å; F67-R71 WeakPolarHBondContact O-CB 3.01Å; F67-R71 WeakPolarHBondContact O-CD 3.34Å; F67-R71 WeakPolarHBondContact O-CG 3.28Å; F67-R71 PolarHBondContact O-N 3.38Å; F67-R71 VanDerWaalsContact O-N 3.14Å
68C58Low57.4Low98 Ų98105.9 Ų105.966%0.66252%0.522SS*.Hα-helixtrans-56.9-32.1-174.8-169.70000114.9V64V64-C68 WeakPolarHBondContact O-CB 2.97Å; V64-C68 PolarHBondContact O-N 3.17Å
69G61.7Low56.2Low59 Ų59112 Ų11261%0.60854%0.541SS*.Hα-helixtrans-92.8-27.9-175.500000115.4Q65 F67Q65-G69 WeakPolarHBondContact O-CA 3.36Å; Q65-G69 PolarHBondContact O-N 3.49Å; F67-G69 VanDerWaalsContact C-N 3.27Å; F67-G69 PolarHBondContact O-N 3.29Å; F67-G69 VanDerWaalsContact O-N 3.11Å
70N51.9Low55.6Low79 Ų79111.7 Ų111.742%0.42256%0.562SS.*Hα-helixtrans-113.115.1-178.3-60.6-77.8000113Y66 F67 D72 L73 A74Y66-N70 WeakPolarHBondContact O-CB 3.4Å; Y66-N70 PolarHBondContact O-N 2.92Å; Y66-N70 VanDerWaalsContact O-N 3.07Å; Y66-N70 PolarHBondContact O-ND2 3.27Å; F67-N70 PolarHBondContact O-N 3.44Å; N70-D72 VanDerWaalsContact C-N 3.29Å; N70-D72 PolarHBondContact O-N 2.96Å; N70-L73 PolarHBondContact O-N 3.38Å; N70-A74 WeakPolarHBondContact O-CB 3.09Å; N70-A74 PolarHBondContact O-N 3.07Å
71R54Low55.3Low25 Ų25114.4 Ų114.49%0.09457%0.57CS.*Hα-helixtrans-69.6-21.7-163.3-120.2161.7169.5-68.7-34.3116.5F67 M75F67-R71 VanDerWaalsContact CD1-CZ 3.48Å; F67-R71 HydrophobicContact CG-CG 4.32Å; F67-R71 VanDerWaalsContact CG-NE 3.25Å; F67-R71 WeakPolarHBondContact O-CA 3.25Å; F67-R71 WeakPolarHBondContact O-CB 3.01Å; F67-R71 WeakPolarHBondContact O-CD 3.34Å; F67-R71 WeakPolarHBondContact O-CG 3.28Å; F67-R71 PolarHBondContact O-N 3.38Å; F67-R71 VanDerWaalsContact O-N 3.14Å; R71-M75 WeakPolarHBondContact O-CB 3.46Å; R71-M75 VanDerWaalsContact O-CG 3.24Å; R71-M75 WeakPolarHBondContact O-CG 3.47Å; R71-M75 PolarHBondContact O-N 3.43Å
72D53Low54.7Low70 Ų70111.4 Ų111.437%0.37457%0.566SS.*Hα-helixtrans-75.5-49.6178.7-56176.5000108.4R22 N70 F76R22-D72 IonicContact CZ-OD1 3.96Å; R22-D72 IonicContact CZ-OD2 3.45Å; R22-D72 IonicContact NE-OD2 3.02Å; R22-D72 IonicContact NH1-OD1 3.08Å; R22-D72 PolarHBondContact NH1-OD1 3.33Å; R22-D72 IonicContact NH1-OD2 3.44Å; R22-D72 PolarHBondContact NH1-OD2 3.4Å; R22-D72 IonicContact NH2-OD1 2.88Å; R22-D72 PolarHBondContact NH2-OD1 2.89Å; R22-D72 IonicContact NH2-OD2 2.79Å; R22-D72 PolarHBondContact NH2-OD2 3.37Å; N70-D72 VanDerWaalsContact C-N 3.29Å; N70-D72 PolarHBondContact O-N 2.96Å; D72-F76 WeakPolarHBondContact O-CD2 3.28Å; D72-F76 PolarHBondContact O-N 2.84Å; D72-F76 VanDerWaalsContact O-N 3.17Å
73L49.2Very low54.2Low119 Ų119112.7 Ų112.762%0.62357%0.572SS**Hα-helixtrans-73.7-36.5-178.8-67.5169000113N70 M75 F76 L77N70-L73 PolarHBondContact O-N 3.38Å; L73-M75 PolarHBondContact O-N 2.79Å; L73-F76 PolarHBondContact O-N 3.47Å; L73-L77 WeakPolarHBondContact O-CB 3.17Å; L73-L77 WeakPolarHBondContact O-CG 3.4Å; L73-L77 PolarHBondContact O-N 3.29Å
74A54.6Low53.6Low33 Ų33112.5 Ų112.527%0.27357%0.571SS.*Hα-helixtrans-67.4-35.2178.700000112.5N70 W78N70-A74 WeakPolarHBondContact O-CB 3.09Å; N70-A74 PolarHBondContact O-N 3.07Å; A74-W78 VanDerWaalsContact O-CB 3.28Å; A74-W78 WeakPolarHBondContact O-CB 3.04Å; A74-W78 PolarHBondContact O-N 3.37Å; A74-W78 VanDerWaalsContact O-N 3.11Å
75M52.9Low53Low84 Ų84114.8 Ų114.841%0.41458%0.578SS.*Hα-helixtrans-72.5-37172.7-70.9-108.7162.700111.9R71 L73 W78 W79R71-M75 WeakPolarHBondContact O-CB 3.46Å; R71-M75 VanDerWaalsContact O-CG 3.24Å; R71-M75 WeakPolarHBondContact O-CG 3.47Å; R71-M75 PolarHBondContact O-N 3.43Å; L73-M75 PolarHBondContact O-N 2.79Å; M75-W78 PolarHBondContact O-N 2.78Å; M75-W79 VanDerWaalsContact O-CB 3.27Å; M75-W79 WeakPolarHBondContact O-CB 3.26Å; M75-W79 PolarHBondContact O-N 3.19Å
76F49.2Very low52.3Low142 Ų142113.9 Ų113.962%0.62358%0.576SS**Hα-helixtrans-65.8-40.8174.6-87.2-66.5000112.9D72 L73 W79 S80D72-F76 WeakPolarHBondContact O-CD2 3.28Å; D72-F76 PolarHBondContact O-N 2.84Å; D72-F76 VanDerWaalsContact O-N 3.17Å; L73-F76 PolarHBondContact O-N 3.47Å; F76-W79 PolarHBondContact O-N 3.08Å; F76-S80 WeakPolarHBondContact O-CB 3.5Å; F76-S80 PolarHBondContact O-N 3.29Å
77L53.3Low51.6Low139 Ų139111.2 Ų111.273%0.72858%0.575SS**Hα-helixtrans-73.6-27.8177.2-70.3170.9000112.9L73L73-L77 WeakPolarHBondContact O-CB 3.17Å; L73-L77 WeakPolarHBondContact O-CG 3.4Å; L73-L77 PolarHBondContact O-N 3.29Å
78W45Very low51.2Low234 Ų234112.8 Ų112.889%0.88659%0.589SS**Hα-helixtrans-78.4-24.1173.8-170.7-79.6000112.8A74 M75A74-W78 VanDerWaalsContact O-CB 3.28Å; A74-W78 WeakPolarHBondContact O-CB 3.04Å; A74-W78 PolarHBondContact O-N 3.37Å; A74-W78 VanDerWaalsContact O-N 3.11Å; M75-W78 PolarHBondContact O-N 2.78Å
79W38.1Very low50.7Low232 Ų232114.1 Ų114.188%0.87958%0.583SS**  trans-91.9-3.4178.3-169.1-89.6000113.4M75 F76M75-W79 VanDerWaalsContact O-CB 3.27Å; M75-W79 WeakPolarHBondContact O-CB 3.26Å; M75-W79 PolarHBondContact O-N 3.19Å; F76-W79 PolarHBondContact O-N 3.08Å
80S45.5Very low49.7Very low153 Ų153119.1 Ų119.1100%1.0758%0.581SS**  trans-107.80-178.6-164.20000113.8F76F76-S80 WeakPolarHBondContact O-CB 3.5Å; F76-S80 PolarHBondContact O-N 3.29Å

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