A0A087WTW3_HUMAN Loading...

Protocadherin 18

AlphaFold DB , UniProt , Accession A0A087WTW3, Species HUMAN (Homo sapiens, Human), Gene PCDH18, Length 96 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
1M39.3Very low56.7Low229 Ų229130.3 Ų130.3100%1.12872%0.721SS**  01100-72.2-72.5152.900107.8K3M1-K3 PolarHBondContact O-N 3.11Å
2P39.6Very low59.7Low125 Ų125125.5 Ų125.581%0.81270%0.703SS**  trans-70.2128.4176.328.8-29.1000109V4P2-V4 PolarHBondContact O-N 3.47Å
3K47Very low62Low199 Ų199125.5 Ų125.587%0.86569%0.694SS**  trans-79.4111.7-178.9-171.4169.6175.6175.40108.3M1 S5M1-K3 PolarHBondContact O-N 3.11Å; K3-S5 PolarHBondContact O-N 3.39Å; K3-S5 VanDerWaalsContact O-N 3.11Å
4V54.3Low64Low143 Ų143121.6 Ų121.687%0.86767%0.671SS**  trans-71.2100.8173.8-177.20000107.6P2P2-V4 PolarHBondContact O-N 3.47Å
5S51.5Low66Low108 Ų108120.6 Ų120.676%0.75566%0.664SS**  trans-97.6122.5172.473.20000110.9K3K3-S5 PolarHBondContact O-N 3.39Å; K3-S5 VanDerWaalsContact O-N 3.11Å
6G52.5Low67.7Low34 Ų34116.8 Ų116.835%0.35165%0.648SS.*  trans79.489.313900000117.3R8G6-R8 VanDerWaalsContact C-N 3.3Å
7S58.3Low69.1Low111 Ų111114 Ų11478%0.77663%0.63SS**SBendtrans-83.50.1159.8520000113.7
8R54.8Low70.5Confident215 Ų215112.6 Ų112.681%0.81162%0.621SS**SBendtrans-98.6-26.4178.2-63.9-179.591.2156.64.1113.3G6G6-R8 VanDerWaalsContact C-N 3.3Å
9D61.4Low71.7Confident103 Ų103115.7 Ų115.755%0.55163%0.63SS**Hα-helixtrans-87.4-11.3-175-56-66000113.1V11 Q13D9-V11 PolarHBondContact O-N 3.37Å; D9-Q13 WeakPolarHBondContact O-CB 3.5Å; D9-Q13 PolarHBondContact O-N 3.16Å
10T79.4Confident72.9Confident77 Ų77116.3 Ų116.347%0.47263%0.628SS.*Hα-helixtrans-65.5-39.7-17854.90000112.3L14T10-L14 WeakPolarHBondContact O-CB 3.31Å; T10-L14 PolarHBondContact O-N 3.24Å
11V85.9Confident73.7Confident89 Ų89113.7 Ų113.754%0.53963%0.629SS.*Hα-helixtrans-72-50.3-179.8-178.70000110.4D9 Q13 L14 L15D9-V11 PolarHBondContact O-N 3.37Å; V11-Q13 VanDerWaalsContact C-N 3.3Å; V11-Q13 PolarHBondContact O-N 2.93Å; V11-L14 PolarHBondContact O-N 2.93Å; V11-L15 HydrophobicContact CG1-CD1 4.04Å; V11-L15 HydrophobicContact CG1-CG 4.36Å; V11-L15 VanDerWaalsContact O-CG 3.29Å; V11-L15 WeakPolarHBondContact O-CG 3.35Å; V11-L15 PolarHBondContact O-N 3.08Å
12S91.8Very high76.2Confident73 Ų73108.7 Ų108.751%0.5160%0.603SS.*Hα-helixtrans-61.3-39.4178.4-56.40000112.4S16S12-S16 PolarHBondContact O-N 3.31Å; S12-S16 PolarHBondContact O-OG 3.49Å
13Q89.5Confident78.7Confident125 Ų125108 Ų10858%0.58459%0.585SS**Hα-helixtrans-64.6-45174.4-177173.329.100111.7D9 V11 S16 M17D9-Q13 WeakPolarHBondContact O-CB 3.5Å; D9-Q13 PolarHBondContact O-N 3.16Å; V11-Q13 VanDerWaalsContact C-N 3.3Å; V11-Q13 PolarHBondContact O-N 2.93Å; Q13-S16 PolarHBondContact O-N 2.83Å; Q13-M17 HydrophobicContact CG-SD 4.34Å; Q13-M17 WeakPolarHBondContact O-CG 3.47Å; Q13-M17 PolarHBondContact O-N 3.21Å
14L90.9Very high80.5Confident71 Ų71105.5 Ų105.537%0.37258%0.576SS.*Hα-helixtrans-61.8-45.9176.6177.461.9000111.8T10 V11 S16 M17 L18 Y23T10-L14 WeakPolarHBondContact O-CB 3.31Å; T10-L14 PolarHBondContact O-N 3.24Å; V11-L14 PolarHBondContact O-N 2.93Å; L14-S16 VanDerWaalsContact C-N 3.29Å; L14-S16 PolarHBondContact O-N 3.43Å; L14-M17 PolarHBondContact O-N 3.34Å; L14-M17 VanDerWaalsContact O-N 3.16Å; L14-L18 HydrophobicContact CD1-CD1 4.35Å; L14-L18 HydrophobicContact CD1-CG 4.29Å; L14-L18 HydrophobicContact CG-CD1 4.09Å; L14-L18 HydrophobicContact CG-CG 4.47Å; L14-L18 WeakPolarHBondContact O-CG 3.47Å; L14-L18 PolarHBondContact O-N 2.87Å; L14-Y23 HydrophobicContact CD1-CD2 3.52Å; L14-Y23 HydrophobicContact CD1-CE2 3.5Å; L14-Y23 HydrophobicContact CD1-CG 4.44Å
15L92.9Very high81.9Confident107 Ų107102.9 Ų102.956%0.5656%0.562SS**Hα-helixtrans-59.1-41.3177.1-70.6172.6000111.6V11 L18 H19V11-L15 HydrophobicContact CG1-CD1 4.04Å; V11-L15 HydrophobicContact CG1-CG 4.36Å; V11-L15 VanDerWaalsContact O-CG 3.29Å; V11-L15 WeakPolarHBondContact O-CG 3.35Å; V11-L15 PolarHBondContact O-N 3.08Å; L15-L18 PolarHBondContact O-N 3.39Å; L15-H19 WeakPolarHBondContact O-CB 3.48Å; L15-H19 PolarHBondContact O-N 3.17Å
16S93.5Very high83.4Confident60 Ų60108.1 Ų108.142%0.4257%0.565SS.*Hα-helixtrans-63-43.5175.4-60.70000111.9S12 Q13 L14 H19 Q20S12-S16 PolarHBondContact O-N 3.31Å; S12-S16 PolarHBondContact O-OG 3.49Å; Q13-S16 PolarHBondContact O-N 2.83Å; L14-S16 VanDerWaalsContact C-N 3.29Å; L14-S16 PolarHBondContact O-N 3.43Å; S16-H19 PolarHBondContact O-N 3.02Å; S16-Q20 WeakPolarHBondContact O-CB 3.47Å; S16-Q20 VanDerWaalsContact O-CG 3.23Å; S16-Q20 WeakPolarHBondContact O-CG 3.4Å; S16-Q20 PolarHBondContact O-N 3.02Å
17M92.4Very high84.5Confident69 Ų69112.4 Ų112.434%0.3459%0.587SS.*Hα-helixtrans-65.1-38.4177.3-69.917363.400112.8Q13 L14 G21 Q22 Y23Q13-M17 HydrophobicContact CG-SD 4.34Å; Q13-M17 WeakPolarHBondContact O-CG 3.47Å; Q13-M17 PolarHBondContact O-N 3.21Å; L14-M17 PolarHBondContact O-N 3.34Å; L14-M17 VanDerWaalsContact O-N 3.16Å; M17-G21 PolarHBondContact O-N 3.21Å; M17-Q22 PolarHBondContact O-N 2.76Å; M17-Y23 HydrophobicContact CE-CD2 4.46Å; M17-Y23 PolarHBondContact O-N 2.9Å
18L93.1Very high84.9Confident89 Ų89112.1 Ų112.147%0.46659%0.585SS.*Hα-helixtrans-65.3-46.7175.7-71.4169.8000110.9L14 L15 Q20 G21 Y23L14-L18 HydrophobicContact CD1-CD1 4.35Å; L14-L18 HydrophobicContact CD1-CG 4.29Å; L14-L18 HydrophobicContact CG-CD1 4.09Å; L14-L18 HydrophobicContact CG-CG 4.47Å; L14-L18 WeakPolarHBondContact O-CG 3.47Å; L14-L18 PolarHBondContact O-N 2.87Å; L15-L18 PolarHBondContact O-N 3.39Å; L18-Q20 VanDerWaalsContact C-N 3.31Å; L18-Q20 PolarHBondContact O-N 3.36Å; L18-G21 PolarHBondContact O-N 3.4Å; L18-G21 VanDerWaalsContact O-N 3.1Å; L18-Y23 HydrophobicContact CD2-CD1 3.67Å; L18-Y23 HydrophobicContact CD2-CD2 4.41Å; L18-Y23 HydrophobicContact CD2-CE1 4.45Å; L18-Y23 HydrophobicContact CD2-CG 3.64Å; L18-Y23 HydrophobicContact CG-CG 4.42Å
19H93.4Very high85.5Confident171 Ų171110.3 Ų110.379%0.79258%0.583SS**Hα-helixtrans-60.5-39.9177.8-178.868.2000112.5L15 S16 G21L15-H19 WeakPolarHBondContact O-CB 3.48Å; L15-H19 PolarHBondContact O-N 3.17Å; S16-H19 PolarHBondContact O-N 3.02Å; H19-G21 PolarHBondContact O-N 3.35Å
20Q95.4Very high86Confident127 Ų127116.4 Ų116.459%0.59360%0.598SS**THydrogen-bonded Turntrans-80.4-0.1178.7-64.9169.65.400113.7S16 L18 Q22S16-Q20 WeakPolarHBondContact O-CB 3.47Å; S16-Q20 VanDerWaalsContact O-CG 3.23Å; S16-Q20 WeakPolarHBondContact O-CG 3.4Å; S16-Q20 PolarHBondContact O-N 3.02Å; L18-Q20 VanDerWaalsContact C-N 3.31Å; L18-Q20 PolarHBondContact O-N 3.36Å; Q20-Q22 HydrophobicContact CB-CG 3.88Å; Q20-Q22 PolarHBondContact O-N 3.38Å; Q20-Q22 VanDerWaalsContact O-N 3.16Å; Q20-Q22 PolarHBondContact O-NE2 2.99Å
21G91.6Very high85.4Confident62 Ų62115 Ų11564%0.63960%0.599SS**THydrogen-bonded Turntrans63.417.5-175.700000114.2M17 L18 H19 Y23M17-G21 PolarHBondContact O-N 3.21Å; L18-G21 PolarHBondContact O-N 3.4Å; L18-G21 VanDerWaalsContact O-N 3.1Å; H19-G21 PolarHBondContact O-N 3.35Å; G21-Y23 VanDerWaalsContact C-N 3.33Å
22Q91.4Very high84.1Confident125 Ų125115.6 Ų115.658%0.58460%0.6SS**  trans-91.61.8-178.8-60.2-55.8-64.900112.5M17 Q20 Q24M17-Q22 PolarHBondContact O-N 2.76Å; Q20-Q22 HydrophobicContact CB-CG 3.88Å; Q20-Q22 PolarHBondContact O-N 3.38Å; Q20-Q22 VanDerWaalsContact O-N 3.16Å; Q20-Q22 PolarHBondContact O-NE2 2.99Å; Q22-Q24 PolarHBondContact O-N 3.49Å
23Y90.9Very high82.9Confident110 Ų110120.1 Ų120.143%0.43161%0.61SS.*  trans-77.4109.5176.2-176.3-104.5000110.9L14 M17 L18 G21 P25L14-Y23 HydrophobicContact CD1-CD2 3.52Å; L14-Y23 HydrophobicContact CD1-CE2 3.5Å; L14-Y23 HydrophobicContact CD1-CG 4.44Å; M17-Y23 HydrophobicContact CE-CD2 4.46Å; M17-Y23 PolarHBondContact O-N 2.9Å; L18-Y23 HydrophobicContact CD2-CD1 3.67Å; L18-Y23 HydrophobicContact CD2-CD2 4.41Å; L18-Y23 HydrophobicContact CD2-CE1 4.45Å; L18-Y23 HydrophobicContact CD2-CG 3.64Å; L18-Y23 HydrophobicContact CG-CG 4.42Å; G21-Y23 VanDerWaalsContact C-N 3.33Å; Y23-P25 HydrophobicContact CE1-CB 3.79Å; Y23-P25 HydrophobicContact CE1-CG 4.16Å; Y23-P25 WeakPolarHBondContact O-CD 3.49Å
24Q86Confident81.7Confident147 Ų147122.1 Ų122.169%0.68761%0.613SS**  trans-105.4101.9171.1-66.2-178.78.300108.9Q22 R26Q22-Q24 PolarHBondContact O-N 3.49Å; Q24-R26 PolarHBondContact O-N 2.74Å; Q24-R26 VanDerWaalsContact O-N 3.09Å
25P82.6Confident80.3Confident88 Ų88123.4 Ų123.457%0.57163%0.628SS**  trans-61.8118.5174.124.5-30.4000108.1Y23 P27Y23-P25 HydrophobicContact CE1-CB 3.79Å; Y23-P25 HydrophobicContact CE1-CG 4.16Å; Y23-P25 WeakPolarHBondContact O-CD 3.49Å; P25-P27 WeakPolarHBondContact O-CD 3.35Å
26R82.9Confident78.8Confident218 Ų218129 Ų12982%0.82364%0.642SS**  trans-85.9118.4171.7-71.7-172.9173-118.9-1.6107.9Q24 S28Q24-R26 PolarHBondContact O-N 2.74Å; Q24-R26 VanDerWaalsContact O-N 3.09Å; R26-S28 PolarHBondContact O-N 3.37Å
27P75.4Confident77Confident124 Ų124130.9 Ų130.981%0.80566%0.655SS**  trans-56.4115.6172.1-22.132.9000109.1P25 F29P25-P27 WeakPolarHBondContact O-CD 3.35Å; P27-F29 PolarHBondContact O-N 2.89Å; P27-F29 VanDerWaalsContact O-N 3.13Å
28S68.6Low74.9Confident105 Ų105134.9 Ų134.973%0.73467%0.667SS**  trans-88.759173.3-168.60000109.2R26 R30R26-S28 PolarHBondContact O-N 3.37Å; S28-R30 PolarHBondContact O-N 2.86Å
29F66.9Low73.1Confident176 Ų176141.1 Ų141.177%0.77269%0.685SS**  trans-78.579.2169.4-167.2-104.1000108.2P27 G31P27-F29 PolarHBondContact O-N 2.89Å; P27-F29 VanDerWaalsContact O-N 3.13Å; F29-G31 PolarHBondContact O-N 3.46Å
30R71.1Confident71.2Confident231 Ų231143.1 Ų143.187%0.87269%0.687SS**  trans-74.170.8163.1-77.1-171.2175.9173.8-0.1107.8S28 N32S28-R30 PolarHBondContact O-N 2.86Å; R30-N32 PolarHBondContact O-N 2.87Å
31G66.8Low69.3Low47 Ų47139.2 Ų139.249%0.48568%0.676SS.*  trans-53.7109177.200000110.1F29F29-G31 PolarHBondContact O-N 3.46Å
32N59.6Low67.6Low103 Ų103144.1 Ų144.155%0.55169%0.687SS**  -158.398117-172.56.2000109.9R30 Y34 S35R30-N32 PolarHBondContact O-N 2.87Å; N32-Y34 VanDerWaalsContact CG-C 3.43Å; N32-Y34 PolarHBondContact ND2-O 3.47Å; N32-Y34 VanDerWaalsContact ND2-O 3.13Å; N32-Y34 PolarHBondContact O-N 3.19Å; N32-Y34 WeakPolarHBondContact OD1-CA 3.27Å; N32-Y34 PolarHBondContact OD1-N 3.38Å; N32-Y34 PolarHBondContact OD1-O 2.96Å; N32-S35 VanDerWaalsContact ND2-CA 3.25Å; N32-S35 WeakPolarHBondContact ND2-CA 3.29Å; N32-S35 PolarHBondContact ND2-N 2.92Å; N32-S35 PolarHBondContact OD1-N 2.9Å
33K66.9Low65.9Low167 Ų167147 Ų14773%0.72670%0.7SS**SBendtrans-73.1-5.6172.470.8178.7-173.4179.30113.6
34Y63.8Low64.3Low167 Ų167147 Ų14766%0.65571%0.708SS**  trans-136.670.6175.9-52.1-61.9000111N32 R36N32-Y34 VanDerWaalsContact CG-C 3.43Å; N32-Y34 PolarHBondContact ND2-O 3.47Å; N32-Y34 VanDerWaalsContact ND2-O 3.13Å; N32-Y34 PolarHBondContact O-N 3.19Å; N32-Y34 WeakPolarHBondContact OD1-CA 3.27Å; N32-Y34 PolarHBondContact OD1-N 3.38Å; N32-Y34 PolarHBondContact OD1-O 2.96Å; Y34-R36 PolarHBondContact O-N 3.16Å
35S61.3Low62.8Low98 Ų98146 Ų14669%0.68571%0.705SS**  trans-74.679.7162.9-173.60000109.6N32N32-S35 VanDerWaalsContact ND2-CA 3.25Å; N32-S35 WeakPolarHBondContact ND2-CA 3.29Å; N32-S35 PolarHBondContact ND2-N 2.92Å; N32-S35 PolarHBondContact OD1-N 2.9Å
36R60.8Low61.9Low226 Ų226149.4 Ų149.485%0.85372%0.718SS**SBendtrans-169.1122.1150-122.5167.3-94.3-154.4-6.1111.6Y34Y34-R36 PolarHBondContact O-N 3.16Å
37S55.7Low60.7Low99 Ų99146.7 Ų146.769%0.69271%0.712SS**  trans83.746.2145.7-44.40000118.8R39S37-R39 VanDerWaalsContact C-N 3.25Å; S37-R39 PolarHBondContact O-N 3.39Å
38Y49.3Very low59.9Low153 Ų153150 Ų15060%0.671%0.714SS**  trans-89.535.7163.5-137.9-93.2000113.2Y40 A41Y38-Y40 PolarHBondContact O-N 2.92Å; Y38-A41 HydrophobicContact CD1-CB 4.11Å; Y38-A41 HydrophobicContact CD2-CB 4.24Å; Y38-A41 VanDerWaalsContact CE1-C 3.44Å; Y38-A41 HydrophobicContact CE1-CB 3.57Å; Y38-A41 VanDerWaalsContact CE1-O 3.24Å; Y38-A41 WeakPolarHBondContact CE1-O 3.19Å; Y38-A41 HydrophobicContact CE2-CB 3.71Å; Y38-A41 HydrophobicContact CG-CB 4.44Å; Y38-A41 PolarHBondContact OH-O 3.01Å; Y38-A41 VanDerWaalsContact OH-O 3.09Å
39R54.9Low59.6Low220 Ų220149.5 Ų149.583%0.8371%0.711SS**SBendtrans-76.81172.5-78.8-151.3-82.1164.6-6113.6S37S37-R39 VanDerWaalsContact C-N 3.25Å; S37-R39 PolarHBondContact O-N 3.39Å
40Y53.7Low59.3Low212 Ų212148.8 Ų148.883%0.83171%0.714SS**SBendtrans-138.41.2-172.4-61.8-71.2000118Y38Y38-Y40 PolarHBondContact O-N 2.92Å
41A54.4Low58.9Low45 Ų45147.4 Ų147.437%0.37272%0.715SS.*  trans-116.431.1-170.100000115.1Y38 Q43Y38-A41 HydrophobicContact CD1-CB 4.11Å; Y38-A41 HydrophobicContact CD2-CB 4.24Å; Y38-A41 VanDerWaalsContact CE1-C 3.44Å; Y38-A41 HydrophobicContact CE1-CB 3.57Å; Y38-A41 VanDerWaalsContact CE1-O 3.24Å; Y38-A41 WeakPolarHBondContact CE1-O 3.19Å; Y38-A41 HydrophobicContact CE2-CB 3.71Å; Y38-A41 HydrophobicContact CG-CB 4.44Å; Y38-A41 PolarHBondContact OH-O 3.01Å; Y38-A41 VanDerWaalsContact OH-O 3.09Å; A41-Q43 PolarHBondContact O-N 3.32Å; A41-Q43 VanDerWaalsContact O-N 3.11Å
42L55.7Low58.5Low166 Ų166152.6 Ų152.687%0.86973%0.731SS**THydrogen-bonded Turntrans-64.6-8.5179.8-166.771.6000114.7
43Q55.9Low58.7Low184 Ų184153.1 Ų153.186%0.8674%0.743SS**THydrogen-bonded Turntrans-102-4.7-159.7-88.9-176.1-12.400118.6A41A41-Q43 PolarHBondContact O-N 3.32Å; A41-Q43 VanDerWaalsContact O-N 3.11Å
44D58.2Low58Low111 Ų111148.2 Ų148.259%0.59474%0.74SS**  trans-144.434.2-174.7-108.4-36.4000115.3D46D44-D46 PolarHBondContact O-N 3.05Å
45M54.9Low57.9Low127 Ų127151.2 Ų151.263%0.62675%0.75SS**THydrogen-bonded Turntrans-74.83.3-178.2-83-163.764.500115.9
46D62Low58Low158 Ų158149.8 Ų149.885%0.84575%0.75SS**THydrogen-bonded Turntrans-92.80.3179.4-69.1-33.4000114.4D44D44-D46 PolarHBondContact O-N 3.05Å
47K59Low58.1Low162 Ų162145.8 Ų145.870%0.70475%0.746SS**SBendtrans-109.2-1.2-174.1-62.6-176.5-168.8-65.80115.9
48F58.1Low58.5Low193 Ų193146.5 Ų146.585%0.84675%0.751SS**SBendtrans-108.2-2.5179.6-76-77.3000114.4L50F48-L50 PolarHBondContact O-N 3.1Å
49S63.1Low59Low95 Ų95147 Ų14766%0.66476%0.759SS**SBendtrans-81.7-6.9-167.2-610000116.3
50L60.6Low59.3Low161 Ų161142.3 Ų142.384%0.84377%0.767SS**SBendtrans-151.488.1-179.5-74.7172.4000111.5F48F48-L50 PolarHBondContact O-N 3.1Å
51K61.6Low59.5Low202 Ų202134.8 Ų134.888%0.87875%0.754SS**  trans159.374.9149.7-89.5159.1178.6-83.70110.4
52D59.5Low59.7Low155 Ų155139.8 Ų139.883%0.82977%0.774SS**  trans-135.367.7145.1-16817.2000106.8G54D52-G54 PolarHBondContact O-N 3.39Å
53S62.8Low60Low114 Ų114136 Ų13680%0.79776%0.762SS**  trans-6488.3159.7-67.10000105.8R55S53-R55 PolarHBondContact O-N 3.39Å
54G52.8Low60.5Low64 Ų64135 Ų13566%0.6676%0.763SS**  trans-47.4106177.800000109.8D52 G56D52-G54 PolarHBondContact O-N 3.39Å; G54-G56 PolarHBondContact O-N 3.02Å; G54-G56 VanDerWaalsContact O-N 3.08Å
55R61.8Low60.9Low231 Ų231138.2 Ų138.287%0.87277%0.768SS**  trans-73.598.2172.7-162.3175.2-174.3160.50.3105.2S53 D57S53-R55 PolarHBondContact O-N 3.39Å; R55-D57 PolarHBondContact O-N 3.41Å; R55-D57 VanDerWaalsContact O-N 3.09Å
56G63.8Low61.1Low67 Ų67137 Ų13769%0.69176%0.763SS**  trans-71.995.6178.100000110.2G54 S58G54-G56 PolarHBondContact O-N 3.02Å; G54-G56 VanDerWaalsContact O-N 3.08Å; G56-S58 VanDerWaalsContact C-N 3.3Å; G56-S58 PolarHBondContact O-N 2.97Å
57D61.6Low60.8Low142 Ų142137 Ų13776%0.75976%0.763SS**  trans-91.173.8156.4-75.9-27.8000107.2R55R55-D57 PolarHBondContact O-N 3.41Å; R55-D57 VanDerWaalsContact O-N 3.09Å
58S64.3Low60.7Low115 Ų115132.5 Ų132.580%0.80476%0.762SS**  trans-83.2111.5160-63.70000106.6G56 A60G56-S58 VanDerWaalsContact C-N 3.3Å; G56-S58 PolarHBondContact O-N 2.97Å; S58-A60 PolarHBondContact O-N 3.38Å
59E60.4Low60.6Low164 Ų164132.8 Ų132.877%0.76676%0.757SS**  trans-55.2133.4175.5-65-98.4133.700109.6G61E59-G61 PolarHBondContact O-N 3.09Å
60A60.7Low60.5Low120 Ų120134.7 Ų134.799%0.99276%0.76SS**THydrogen-bonded Turntrans-74.228.2-176.200000114.1S58S58-A60 PolarHBondContact O-N 3.38Å
61G58.9Low60.6Low54 Ų54128.8 Ų128.856%0.55773%0.732SS**THydrogen-bonded Turntrans-139.8-1.4-168.800000116.2E59 S63E59-G61 PolarHBondContact O-N 3.09Å; G61-S63 PolarHBondContact O-N 3.45Å
62D58.7Low60.6Low150 Ų150124.4 Ų124.480%0.80273%0.725SS**  trans-76.537.5174.8-99.74.1000112.3D64D62-D64 PolarHBondContact O-N 3.39Å
63S61.5Low61Low88 Ų88121.7 Ų121.762%0.61571%0.709SS**  trans-82.1103.9163.963.30000107.7G61 Y65G61-S63 PolarHBondContact O-N 3.45Å; S63-Y65 PolarHBondContact O-N 3.11Å
64D67.3Low61.3Low163 Ų163120.3 Ų120.387%0.87269%0.693SS**  trans-65.445.9164-67.9-39.7000111.3D62 D66D62-D64 PolarHBondContact O-N 3.39Å; D64-D66 VanDerWaalsContact C-N 3.29Å; D64-D66 PolarHBondContact O-N 3.27Å
65Y64.8Low61.9Low178 Ų178125.1 Ų125.170%0.69869%0.691SS**  trans-81.879.4180-140.1-86.3000108.4S63 L67S63-Y65 PolarHBondContact O-N 3.11Å; Y65-L67 HydrophobicContact CD1-CD1 3.97Å; Y65-L67 PolarHBondContact O-N 3.3Å
66D59.1Low62.1Low100 Ų100118 Ų11854%0.53567%0.67SS.*  trans-69.192.6170.9-176.317.4000109.2D64 G68 R69D64-D66 VanDerWaalsContact C-N 3.29Å; D64-D66 PolarHBondContact O-N 3.27Å; D66-G68 PolarHBondContact O-N 2.89Å; D66-G68 PolarHBondContact OD1-N 3.16Å; D66-R69 PolarHBondContact O-N 3.21Å; D66-R69 VanDerWaalsContact O-N 3.08Å
67L56.5Low62.5Low160 Ų160118 Ų11884%0.83865%0.654SS**THydrogen-bonded Turntrans-56.8-7.7177-100.488.4000113.9Y65Y65-L67 HydrophobicContact CD1-CD1 3.97Å; Y65-L67 PolarHBondContact O-N 3.3Å
68G56.3Low62.7Low66 Ų66114.5 Ų114.568%0.6865%0.651SS**THydrogen-bonded Turntrans-96.3-5.8178.100000114.9D66D66-G68 PolarHBondContact O-N 2.89Å; D66-G68 PolarHBondContact OD1-N 3.16Å
69R56Low62.6Low199 Ų199116.1 Ų116.175%0.75165%0.646SS**SBendtrans-99.5112.4171.7-84.4-173171.4-155.6-1.1108.8D66 S71D66-R69 PolarHBondContact O-N 3.21Å; D66-R69 VanDerWaalsContact O-N 3.08Å; R69-S71 PolarHBondContact O-N 3.23Å
70D60.8Low62.7Low135 Ų135110.7 Ų110.772%0.72263%0.634SS**  trans-44.5114.4163.2-62.7-52.5000107.4
71S63.6Low62.8Low37 Ų37109.2 Ų109.226%0.25961%0.605SS.*  trans-53.6140.9174.8176.50000106.6R69 I73 D74 R75R69-S71 PolarHBondContact O-N 3.23Å; S71-I73 CarbonylContact O-C 3.52Å; S71-I73 PolarHBondContact O-N 2.88Å; S71-I73 PolarHBondContact OG-N 3.08Å; S71-D74 WeakPolarHBondContact CB-OD2 3.45Å; S71-D74 PolarHBondContact N-OD2 3.43Å; S71-D74 WeakPolarHBondContact O-CA 3.35Å; S71-D74 WeakPolarHBondContact O-CB 3.33Å; S71-D74 PolarHBondContact O-N 3.45Å; S71-R75 PolarHBondContact O-N 3.26Å; S71-R75 VanDerWaalsContact O-N 3.16Å
72P61.9Low62.9Low111 Ų111109.4 Ų109.472%0.72160%0.598SS**Hα-helixtrans-52.9-21.7172.818.6-29.6000112L76P72-L76 WeakPolarHBondContact O-CB 3.01Å; P72-L76 PolarHBondContact O-N 2.94Å
73I67.5Low63Low97 Ų97107.9 Ų107.950%0.49759%0.59SS.*Hα-helixtrans-72.1-43.3169.7-54.3-59.6000112.6S71 R75 L76 L77S71-I73 CarbonylContact O-C 3.52Å; S71-I73 PolarHBondContact O-N 2.88Å; S71-I73 PolarHBondContact OG-N 3.08Å; I73-R75 VanDerWaalsContact C-N 3.33Å; I73-R75 PolarHBondContact O-N 3.32Å; I73-L76 CarbonylContact O-C 3.59Å; I73-L76 WeakPolarHBondContact O-CB 3.23Å; I73-L76 PolarHBondContact O-N 2.98Å; I73-L76 VanDerWaalsContact O-N 3.11Å; I73-L77 HydrophobicContact CG2-CD1 3.78Å; I73-L77 HydrophobicContact CG2-CG 4.14Å; I73-L77 WeakPolarHBondContact O-CB 3.47Å; I73-L77 VanDerWaalsContact O-CG 3.27Å; I73-L77 WeakPolarHBondContact O-CG 3.36Å; I73-L77 PolarHBondContact O-N 3.09Å
74D67.9Low62.9Low86 Ų86109.4 Ų109.446%0.4659%0.591SS.*Hα-helixtrans-64.7-38.1179.9-66.9-29.6000111.8S71 L76 L77 G78S71-D74 WeakPolarHBondContact CB-OD2 3.45Å; S71-D74 PolarHBondContact N-OD2 3.43Å; S71-D74 WeakPolarHBondContact O-CA 3.35Å; S71-D74 WeakPolarHBondContact O-CB 3.33Å; S71-D74 PolarHBondContact O-N 3.45Å; D74-L76 VanDerWaalsContact C-N 3.31Å; D74-L76 PolarHBondContact O-N 3.13Å; D74-L77 PolarHBondContact O-N 2.9Å; D74-G78 PolarHBondContact O-N 2.92Å
75R66.7Low62.5Low164 Ų164108.9 Ų108.962%0.61958%0.581SS**Hα-helixtrans-64.3-37.9172.9-169.8174.1179.4179.40.6112.1S71 I73 E79S71-R75 PolarHBondContact O-N 3.26Å; S71-R75 VanDerWaalsContact O-N 3.16Å; I73-R75 VanDerWaalsContact C-N 3.33Å; I73-R75 PolarHBondContact O-N 3.32Å; R75-E79 IonicContact NE-OE1 3.57Å; R75-E79 PolarHBondContact O-N 2.84Å
76L66.6Low62.1Low83 Ų83106.9 Ų106.944%0.43558%0.581SS.*Hα-helixtrans-68-39.7176-168.468.3000111.5P72 I73 D74 F81P72-L76 WeakPolarHBondContact O-CB 3.01Å; P72-L76 PolarHBondContact O-N 2.94Å; I73-L76 CarbonylContact O-C 3.59Å; I73-L76 WeakPolarHBondContact O-CB 3.23Å; I73-L76 PolarHBondContact O-N 2.98Å; I73-L76 VanDerWaalsContact O-N 3.11Å; D74-L76 VanDerWaalsContact C-N 3.31Å; D74-L76 PolarHBondContact O-N 3.13Å; L76-F81 HydrophobicContact CD1-CD2 3.5Å; L76-F81 HydrophobicContact CD1-CE2 3.27Å; L76-F81 HydrophobicContact CD1-CG 4.35Å; L76-F81 HydrophobicContact CD1-CZ 3.98Å; L76-F81 HydrophobicContact CG-CD2 3.61Å; L76-F81 HydrophobicContact CG-CE2 3.88Å; L76-F81 HydrophobicContact CG-CG 4.03Å; L76-F81 WeakPolarHBondContact O-CB 3.43Å; L76-F81 VanDerWaalsContact O-CD2 3.31Å; L76-F81 WeakPolarHBondContact O-CD2 3.25Å; L76-F81 PolarHBondContact O-N 3.02Å
77L70.9Confident61.7Low66 Ų66107.8 Ų107.835%0.34659%0.591SS.*Iπ-helixtrans-72.4-32.2178.7-69.5174.5000112.8I73 D74 F85I73-L77 HydrophobicContact CG2-CD1 3.78Å; I73-L77 HydrophobicContact CG2-CG 4.14Å; I73-L77 WeakPolarHBondContact O-CB 3.47Å; I73-L77 VanDerWaalsContact O-CG 3.27Å; I73-L77 WeakPolarHBondContact O-CG 3.36Å; I73-L77 PolarHBondContact O-N 3.09Å; D74-L77 PolarHBondContact O-N 2.9Å; L77-F85 HydrophobicContact CD2-CD2 3.77Å; L77-F85 HydrophobicContact CD2-CE2 3.51Å; L77-F85 HydrophobicContact CD2-CZ 4.42Å
78G65.4Low61.3Low68 Ų68107.6 Ų107.670%0.70159%0.591SS**Iπ-helixtrans-76.7-32177.900000115D74D74-G78 PolarHBondContact O-N 2.92Å
79E63.8Low61Low149 Ų149107.5 Ų107.570%0.69659%0.59SS**Iπ-helixtrans-94.51.8-172.7-76.1178.9-174.400115.2R75R75-E79 IonicContact NE-OE1 3.57Å; R75-E79 PolarHBondContact O-N 2.84Å
80G61.9Low60.6Low50 Ų50109 Ų10952%0.51560%0.595SS.*Iπ-helixtrans1489.7169.900000118.4
81F63.1Low60.1Low90 Ų90110.1 Ų110.140%0.39560%0.6SS.*Iπ-helixtrans-94.60.3175.5-77.2-99000114L76 D83 L84 F85L76-F81 HydrophobicContact CD1-CD2 3.5Å; L76-F81 HydrophobicContact CD1-CE2 3.27Å; L76-F81 HydrophobicContact CD1-CG 4.35Å; L76-F81 HydrophobicContact CD1-CZ 3.98Å; L76-F81 HydrophobicContact CG-CD2 3.61Å; L76-F81 HydrophobicContact CG-CE2 3.88Å; L76-F81 HydrophobicContact CG-CG 4.03Å; L76-F81 WeakPolarHBondContact O-CB 3.43Å; L76-F81 VanDerWaalsContact O-CD2 3.31Å; L76-F81 WeakPolarHBondContact O-CD2 3.25Å; L76-F81 PolarHBondContact O-N 3.02Å; F81-D83 PolarHBondContact O-N 3.04Å; F81-L84 HydrophobicContact CD1-CD1 3.44Å; F81-L84 VanDerWaalsContact CD1-CD1 3.44Å; F81-L84 HydrophobicContact CE1-CD1 3.88Å; F81-L84 HydrophobicContact CG-CD1 4.35Å; F81-L84 PolarHBondContact O-N 3.13Å; F81-F85 WeakPolarHBondContact O-CD2 3.37Å
82S59.4Low59.1Low58 Ų58112.9 Ų112.941%0.40662%0.617SS.*Hα-helixtrans-56.4-33.9178.754.20000113.5L84 F85 L86S82-L84 VanDerWaalsContact C-N 3.3Å; S82-L84 PolarHBondContact O-N 2.86Å; S82-F85 PolarHBondContact O-N 3.36Å; S82-L86 WeakPolarHBondContact O-CD1 3.24Å; S82-L86 PolarHBondContact O-N 3.09Å
83D60.8Low58.3Low118 Ų118111.9 Ų111.963%0.63162%0.618SS**Hα-helixtrans-75.9-18.5-175.1-66.7-14.2000113.3F81F81-D83 PolarHBondContact O-N 3.04Å
84L61.2Low57.2Low120 Ų120114.1 Ų114.163%0.62864%0.636SS**Hα-helixtrans-79.9-22.6176.9-77.1156.6000112.8F81 S82F81-L84 HydrophobicContact CD1-CD1 3.44Å; F81-L84 VanDerWaalsContact CD1-CD1 3.44Å; F81-L84 HydrophobicContact CE1-CD1 3.88Å; F81-L84 HydrophobicContact CG-CD1 4.35Å; F81-L84 PolarHBondContact O-N 3.13Å; S82-L84 VanDerWaalsContact C-N 3.3Å; S82-L84 PolarHBondContact O-N 2.86Å
85F58Low55.9Low151 Ų151117.6 Ų117.666%0.66265%0.649SS**Hα-helixtrans-98.5-11177.9-64.9-79.3000113.1L77 F81 S82 T87L77-F85 HydrophobicContact CD2-CD2 3.77Å; L77-F85 HydrophobicContact CD2-CE2 3.51Å; L77-F85 HydrophobicContact CD2-CZ 4.42Å; F81-F85 WeakPolarHBondContact O-CD2 3.37Å; S82-F85 PolarHBondContact O-N 3.36Å; F85-T87 VanDerWaalsContact C-N 3.32Å; F85-T87 PolarHBondContact O-N 3.41Å
86L55.5Low54.7Low136 Ų136120.5 Ų120.571%0.71268%0.676SS**THydrogen-bonded Turntrans-77.8-12.9179-114.374.9000114S82S82-L86 WeakPolarHBondContact O-CD1 3.24Å; S82-L86 PolarHBondContact O-N 3.09Å
87T50.6Low54.1Low120 Ų120122.4 Ų122.474%0.73669%0.688SS**THydrogen-bonded Turntrans-102.321.9-175.259.70000114.8F85F85-T87 VanDerWaalsContact C-N 3.32Å; F85-T87 PolarHBondContact O-N 3.41Å
88D48.6Very low53.2Low156 Ų156125.4 Ų125.483%0.83471%0.706SS**SBendtrans-136.276.5161.5-152.411.1000111.9
89G51.6Low52.5Low64 Ų64128.6 Ų128.666%0.6671%0.706SS**  trans64.488.7135.700000119.1
90R47.1Very low51.8Low230 Ų230127.4 Ų127.487%0.86871%0.707SS**  trans69.590.7137.1-165.7-177.6-172.3172.92.2117.2
91I50.4Low51.2Low158 Ų158132.2 Ų132.281%0.8172%0.719SS**  trans-99112.2143.3-56.9-167.8000106.9A93I91-A93 PolarHBondContact O-N 3.36Å
92P41.9Very low50.4Low96 Ų96135 Ų13562%0.62374%0.741SS**  trans-64.4130.2168.427.5-29.2000108V94P92-V94 PolarHBondContact O-N 3.2Å
93A44.6Very low49.8Very low90 Ų90140.5 Ų140.574%0.74477%0.765SS**  trans-42.5121.717400000110.4I91 Q95I91-A93 PolarHBondContact O-N 3.36Å; A93-Q95 VanDerWaalsContact C-N 3.34Å; A93-Q95 PolarHBondContact O-N 3.11Å
94V44.2Very low48.9Very low144 Ų144142.2 Ų142.287%0.87378%0.775SS**  trans-7199.6167.4-1450000105.5P92P92-V94 PolarHBondContact O-N 3.2Å
95Q42.5Very low47.9Very low158 Ų158144.1 Ų144.174%0.73879%0.787SS**  trans-75.4119.2171-175.880.734.400107.8A93A93-Q95 VanDerWaalsContact C-N 3.34Å; A93-Q95 PolarHBondContact O-N 3.11Å
96L39.9Very low47Very low226 Ų226143.5 Ų143.5100%1.18380%0.798SS**  trans35.40158.8-62.7175.3000118.4

Retrieved 96 of 96 residues in 74 ms (Link to these results)