WNK_CAEEL Loading...

Isoform u of Serine/threonine-protein kinase WNK AlphaSync

Canonical isoform description: Serine/threonine-protein kinase component of the WNK3-SPAK/OSR1 kinase cascade, which plays an important role in the regulation of electrolyte homeostasis and regulatory volume increase in response to hyperosmotic stress1. Wnk-1 mediates regulatory volume increase in response to hyperosmotic stress by acting as a molecular crowding sensor, which senses cell shrinkage and mediates formation of a membraneless compartment by undergoing liquid-liquid phase separation2. The membraneless compartment concentrates wnk-1 with its substrates (By similarity). Phosphorylates gck-33. Plays a role in osmotic stress responses during which it increases gpdh-1 translation, likely by phosphorylating gck-34. Essential for larval development and the tubular formation of the excretory canals5.

AlphaFold DB , UniProt , Accession X5M5N0-21 (canonical: X5M5N0), Species CAEEL (Caenorhabditis elegans), Gene wnk-1, Length 193 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   AlphaSync Parameters   PDB   PAE   Table  
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
1M61Low82.2Confident226 Ų226115.7 Ų115.7100%1.11361%0.61SS**  096.70-70.7-169.6-176.600104.4L3M1-L3 PolarHBondContact O-N 2.95Å
2D73.5Confident83.3Confident138 Ų138116.3 Ų116.374%0.73861%0.607SS**  trans-81.7102.3-174.8-66.2-15.1000107.6E4D2-E4 PolarHBondContact O-N 3.33Å
3L72.3Confident84.3Confident88 Ų88115.8 Ų115.846%0.46160%0.602SS.*G310 helixtrans-77.6-2.4-179.6-67.6167.3000112.4M1 S5 E6 I14M1-L3 PolarHBondContact O-N 2.95Å; L3-S5 VanDerWaalsContact C-N 3.34Å; L3-E6 PolarHBondContact O-N 3.21Å; L3-I14 HydrophobicContact CD2-CD1 3.77Å
4E71.5Confident85Confident191 Ų191112.2 Ų112.289%0.89358%0.583SS**G310 helixtrans-78.1-17.3-172.2-61.7-172.4142.800113.4D2D2-E4 PolarHBondContact O-N 3.33Å
5S81.5Confident85.7Confident109 Ų109110.1 Ų110.176%0.76258%0.577SS**G310 helixtrans-96.8-0.6174.1550000113.8L3L3-S5 VanDerWaalsContact C-N 3.34Å
6E83Confident86.4Confident89 Ų89113.9 Ų113.942%0.41658%0.581SS.*SBendtrans-83.6150-174.1-150.277.3-141.400111.5L3 V10 I11L3-E6 PolarHBondContact O-N 3.21Å; E6-V10 HydrophobicContact CG-CB 3.76Å; E6-V10 HydrophobicContact CG-CG1 3.49Å; E6-V10 VanDerWaalsContact CG-CG1 3.49Å; E6-I11 HydrophobicContact CB-CD1 4.44Å; E6-I11 HydrophobicContact CB-CG1 4.03Å; E6-I11 WeakPolarHBondContact O-CD1 3.48Å
7D90Very high87.1Confident89 Ų89113 Ų11348%0.47657%0.574SS.*  trans-58.1133.2177.7-172.9-26.2000110.6E9 V10 I11D7-E9 PolarHBondContact O-N 3.15Å; D7-E9 PolarHBondContact OD1-N 3.3Å; D7-V10 HydrophobicContact CB-CB 4.4Å; D7-V10 HydrophobicContact CB-CG2 4.05Å; D7-V10 WeakPolarHBondContact O-CA 3.42Å; D7-V10 WeakPolarHBondContact O-CB 3.31Å; D7-V10 PolarHBondContact O-N 3.08Å; D7-I11 PolarHBondContact O-N 3.31Å
8P91.7Very high87.6Confident89 Ų89116.2 Ų116.258%0.57858%0.577SS**Hα-helixtrans-49.8-28.4174.616.9-31.4000114.7Q12P8-Q12 VanDerWaalsContact O-CG 3.28Å; P8-Q12 WeakPolarHBondContact O-CG 3.36Å; P8-Q12 PolarHBondContact O-N 3.22Å; P8-Q12 VanDerWaalsContact O-N 3.1Å; P8-Q12 PolarHBondContact O-NE2 3.29Å; P8-Q12 VanDerWaalsContact O-NE2 3.17Å
9E93.5Very high88.2Confident147 Ų147115.8 Ų115.869%0.68758%0.575SS**Hα-helixtrans-69.5-42173.5-173.4171.1-169.400112.2D7 Q12 M13D7-E9 PolarHBondContact O-N 3.15Å; D7-E9 PolarHBondContact OD1-N 3.3Å; E9-Q12 PolarHBondContact O-N 3.43Å; E9-M13 PolarHBondContact O-N 3.45Å
10V94.1Very high88.6Confident42 Ų42116.1 Ų116.126%0.25558%0.575SS.*Hα-helixtrans-66.8-42.2176.5177.60000110.3E6 D7 Q12 M13 I14E6-V10 HydrophobicContact CG-CB 3.76Å; E6-V10 HydrophobicContact CG-CG1 3.49Å; E6-V10 VanDerWaalsContact CG-CG1 3.49Å; D7-V10 HydrophobicContact CB-CB 4.4Å; D7-V10 HydrophobicContact CB-CG2 4.05Å; D7-V10 WeakPolarHBondContact O-CA 3.42Å; D7-V10 WeakPolarHBondContact O-CB 3.31Å; D7-V10 PolarHBondContact O-N 3.08Å; V10-Q12 VanDerWaalsContact C-N 3.31Å; V10-Q12 PolarHBondContact O-N 3.43Å; V10-M13 HydrophobicContact CG1-CE 4.41Å; V10-M13 WeakPolarHBondContact O-CB 3.3Å; V10-M13 PolarHBondContact O-N 3.44Å; V10-I14 HydrophobicContact CG1-CD1 3.85Å; V10-I14 HydrophobicContact CG1-CG1 4.35Å; V10-I14 VanDerWaalsContact O-CG1 3.29Å; V10-I14 WeakPolarHBondContact O-CG1 3.47Å; V10-I14 PolarHBondContact O-N 3.47Å
11I92.2Very high89.1Confident65 Ų65114.4 Ų114.433%0.33357%0.566SS.*Hα-helixtrans-57-47.2174.7-63.2173.5000110.1E6 D7 M13 I14 V15E6-I11 HydrophobicContact CB-CD1 4.44Å; E6-I11 HydrophobicContact CB-CG1 4.03Å; E6-I11 WeakPolarHBondContact O-CD1 3.48Å; D7-I11 PolarHBondContact O-N 3.31Å; I11-M13 PolarHBondContact O-N 3.3Å; I11-I14 PolarHBondContact O-N 3.11Å; I11-V15 HydrophobicContact CG2-CG2 4.46Å; I11-V15 VanDerWaalsContact O-CG2 3.3Å; I11-V15 WeakPolarHBondContact O-CG2 3.44Å; I11-V15 PolarHBondContact O-N 3.26Å
12Q95.3Very high90.8Very high123 Ų123109 Ų10958%0.57554%0.537SS*.Hα-helixtrans-62.5-41.2177.1-76.6174.467.300112.7P8 E9 V10 V15 R16P8-Q12 VanDerWaalsContact O-CG 3.28Å; P8-Q12 WeakPolarHBondContact O-CG 3.36Å; P8-Q12 PolarHBondContact O-N 3.22Å; P8-Q12 VanDerWaalsContact O-N 3.1Å; P8-Q12 PolarHBondContact O-NE2 3.29Å; P8-Q12 VanDerWaalsContact O-NE2 3.17Å; E9-Q12 PolarHBondContact O-N 3.43Å; V10-Q12 VanDerWaalsContact C-N 3.31Å; V10-Q12 PolarHBondContact O-N 3.43Å; Q12-V15 PolarHBondContact O-N 2.82Å; Q12-R16 WeakPolarHBondContact O-CB 3.26Å; Q12-R16 PolarHBondContact O-N 3.1Å
13M96.5Very high92Very high110 Ų110109 Ų10954%0.54253%0.531SS..Hα-helixtrans-61.6-44.1175.9-177.6177.160.600111.3E9 V10 I11 R16 H17E9-M13 PolarHBondContact O-N 3.45Å; V10-M13 HydrophobicContact CG1-CE 4.41Å; V10-M13 WeakPolarHBondContact O-CB 3.3Å; V10-M13 PolarHBondContact O-N 3.44Å; I11-M13 PolarHBondContact O-N 3.3Å; M13-R16 PolarHBondContact O-N 3.24Å; M13-H17 VanDerWaalsContact O-CB 3.28Å; M13-H17 WeakPolarHBondContact O-CB 3.4Å; M13-H17 PolarHBondContact O-N 2.99Å
14I94.3Very high93.2Very high65 Ų65108.9 Ų108.933%0.33353%0.53SS..Hα-helixtrans-62.5-46.6176.4-68.5167.6000110.6L3 V10 I11 H17 R18L3-I14 HydrophobicContact CD2-CD1 3.77Å; V10-I14 HydrophobicContact CG1-CD1 3.85Å; V10-I14 HydrophobicContact CG1-CG1 4.35Å; V10-I14 VanDerWaalsContact O-CG1 3.29Å; V10-I14 WeakPolarHBondContact O-CG1 3.47Å; V10-I14 PolarHBondContact O-N 3.47Å; I11-I14 PolarHBondContact O-N 3.11Å; I14-H17 PolarHBondContact O-N 2.94Å; I14-R18 VanDerWaalsContact O-CB 3.26Å; I14-R18 WeakPolarHBondContact O-CB 3.28Å; I14-R18 PolarHBondContact O-N 3.16Å
15V95.7Very high94.5Very high81 Ų81104.7 Ų104.749%0.49151%0.513SS..Hα-helixtrans-61.3-47.4178.4171.70000110.6I11 Q12 H17 R18 M19I11-V15 HydrophobicContact CG2-CG2 4.46Å; I11-V15 VanDerWaalsContact O-CG2 3.3Å; I11-V15 WeakPolarHBondContact O-CG2 3.44Å; I11-V15 PolarHBondContact O-N 3.26Å; Q12-V15 PolarHBondContact O-N 2.82Å; V15-H17 PolarHBondContact O-N 3.27Å; V15-R18 PolarHBondContact O-N 3.12Å; V15-M19 HydrophobicContact CG1-SD 4.5Å; V15-M19 WeakPolarHBondContact O-CG 3.4Å; V15-M19 PolarHBondContact O-N 3.22Å
16R97.2Very high95.2Very high171 Ų171104.4 Ų104.465%0.64550%0.5SS*.Hα-helixtrans-58.1-50176.8-175.3-168.8-59.5155.83.3111.1Q12 M13 R18 M19 E20Q12-R16 WeakPolarHBondContact O-CB 3.26Å; Q12-R16 PolarHBondContact O-N 3.1Å; M13-R16 PolarHBondContact O-N 3.24Å; R16-R18 VanDerWaalsContact C-N 3.32Å; R16-R18 PolarHBondContact O-N 2.98Å; R16-M19 PolarHBondContact O-N 3.08Å; R16-E20 PolarHBondContact O-N 3.31Å
17H97.8Very high95.9Very high98 Ų98107.4 Ų107.445%0.45451%0.511SS..Hα-helixtrans-60.1-44179-175.171.5000111.2M13 I14 V15 M19 E20 Q21M13-H17 VanDerWaalsContact O-CB 3.28Å; M13-H17 WeakPolarHBondContact O-CB 3.4Å; M13-H17 PolarHBondContact O-N 2.99Å; I14-H17 PolarHBondContact O-N 2.94Å; V15-H17 PolarHBondContact O-N 3.27Å; H17-M19 PolarHBondContact O-N 3.2Å; H17-E20 WeakPolarHBondContact O-CB 3.4Å; H17-E20 PolarHBondContact O-N 3.08Å; H17-Q21 PolarHBondContact CE1-NE2 2.64Å; H17-Q21 VanDerWaalsContact CE1-NE2 3.27Å; H17-Q21 PolarHBondContact NE2-NE2 2.79Å; H17-Q21 WeakPolarHBondContact O-CG 3.32Å; H17-Q21 PolarHBondContact O-N 3.29Å
18R96.6Very high96.3Very high170 Ų170106.8 Ų106.864%0.64251%0.506SS*.Hα-helixtrans-61.8-43.7177.7-170171.9-173.8177.74.2111.7I14 V15 R16 E20 Q21 H22I14-R18 VanDerWaalsContact O-CB 3.26Å; I14-R18 WeakPolarHBondContact O-CB 3.28Å; I14-R18 PolarHBondContact O-N 3.16Å; V15-R18 PolarHBondContact O-N 3.12Å; R16-R18 VanDerWaalsContact C-N 3.32Å; R16-R18 PolarHBondContact O-N 2.98Å; R18-E20 VanDerWaalsContact C-N 3.34Å; R18-E20 PolarHBondContact O-N 2.92Å; R18-Q21 PolarHBondContact O-N 3.3Å; R18-H22 PolarHBondContact O-CD2 3.42Å; R18-H22 PolarHBondContact O-N 2.92Å
19M97.6Very high96.6Very high109 Ų109109.8 Ų109.854%0.53751%0.506SS..Hα-helixtrans-62.3-40.9175-73.1-171.272.900112.4V15 R16 H17 H22 K23V15-M19 HydrophobicContact CG1-SD 4.5Å; V15-M19 WeakPolarHBondContact O-CG 3.4Å; V15-M19 PolarHBondContact O-N 3.22Å; R16-M19 PolarHBondContact O-N 3.08Å; H17-M19 PolarHBondContact O-N 3.2Å; M19-H22 PolarHBondContact O-N 3.5Å; M19-K23 WeakPolarHBondContact O-CG 3.45Å; M19-K23 PolarHBondContact O-N 3.26Å
20E97.7Very high96.7Very high122 Ų122106.4 Ų106.457%0.5750%0.495SS*.Hα-helixtrans-61.7-44.4175.6-177176.1-166.700111.7R16 H17 R18 H22 K23 L24R16-E20 PolarHBondContact O-N 3.31Å; H17-E20 WeakPolarHBondContact O-CB 3.4Å; H17-E20 PolarHBondContact O-N 3.08Å; R18-E20 VanDerWaalsContact C-N 3.34Å; R18-E20 PolarHBondContact O-N 2.92Å; E20-H22 PolarHBondContact O-N 3.36Å; E20-K23 WeakPolarHBondContact O-CB 3.49Å; E20-K23 PolarHBondContact O-N 3.17Å; E20-L24 PolarHBondContact O-N 2.87Å
21Q97.6Very high96.8Very high81 Ų81108.3 Ų108.338%0.37950%0.501SS..Hα-helixtrans-59.7-46174.5-67.8-61.9-17.200111.8H17 R18 K23 L24 L25H17-Q21 PolarHBondContact CE1-NE2 2.64Å; H17-Q21 VanDerWaalsContact CE1-NE2 3.27Å; H17-Q21 PolarHBondContact NE2-NE2 2.79Å; H17-Q21 WeakPolarHBondContact O-CG 3.32Å; H17-Q21 PolarHBondContact O-N 3.29Å; R18-Q21 PolarHBondContact O-N 3.3Å; Q21-K23 VanDerWaalsContact C-N 3.31Å; Q21-K23 PolarHBondContact O-N 2.89Å; Q21-L24 PolarHBondContact O-N 3.4Å; Q21-L24 VanDerWaalsContact O-N 3.17Å; Q21-L25 WeakPolarHBondContact O-CG 3.21Å; Q21-L25 PolarHBondContact O-N 3.09Å
22H98Very high96.9Very high112 Ų112109 Ų10952%0.51951%0.505SS..Hα-helixtrans-57.7-43175.6-80.8-69.6000112.1R18 M19 E20 L24 L25 E26R18-H22 PolarHBondContact O-CD2 3.42Å; R18-H22 PolarHBondContact O-N 2.92Å; M19-H22 PolarHBondContact O-N 3.5Å; E20-H22 PolarHBondContact O-N 3.36Å; H22-L24 PolarHBondContact O-N 2.84Å; H22-L25 PolarHBondContact O-N 2.85Å; H22-E26 PolarHBondContact O-N 2.84Å
23K98Very high96.9Very high137 Ų137108.1 Ų108.160%0.59650%0.5SS*.Hα-helixtrans-62.6-40.4176.2-73.3176.9179.7179.60112.4M19 E20 Q21 E26 K27M19-K23 WeakPolarHBondContact O-CG 3.45Å; M19-K23 PolarHBondContact O-N 3.26Å; E20-K23 WeakPolarHBondContact O-CB 3.49Å; E20-K23 PolarHBondContact O-N 3.17Å; Q21-K23 VanDerWaalsContact C-N 3.31Å; Q21-K23 PolarHBondContact O-N 2.89Å; K23-E26 PolarHBondContact O-N 2.85Å; K23-K27 WeakPolarHBondContact O-CG 3.4Å; K23-K27 PolarHBondContact O-N 3.16Å
24L97.9Very high96.7Very high87 Ų87107.3 Ų107.346%0.45549%0.491SS..Hα-helixtrans-67.2-43.5179.6-176.961000111.7E20 Q21 H22 E26 K27 Q28E20-L24 PolarHBondContact O-N 2.87Å; Q21-L24 PolarHBondContact O-N 3.4Å; Q21-L24 VanDerWaalsContact O-N 3.17Å; H22-L24 PolarHBondContact O-N 2.84Å; L24-E26 VanDerWaalsContact C-N 3.34Å; L24-K27 PolarHBondContact O-N 3.35Å; L24-Q28 WeakPolarHBondContact O-CG 3.45Å; L24-Q28 PolarHBondContact O-N 3.32Å
25L97.7Very high96.7Very high102 Ų102107.9 Ų107.953%0.53450%0.495SS..Hα-helixtrans-62.9-40.7176.3-69.8172.7000111.7Q21 H22 Q28 R29Q21-L25 WeakPolarHBondContact O-CG 3.21Å; Q21-L25 PolarHBondContact O-N 3.09Å; H22-L25 PolarHBondContact O-N 2.85Å; L25-Q28 PolarHBondContact O-N 2.97Å; L25-R29 PolarHBondContact O-N 3.36Å
26E97.7Very high96.5Very high103 Ų103111.8 Ų111.848%0.48150%0.501SS..Hα-helixtrans-64.4-43.2176.6-17255.8-148.700111.8H22 K23 L24 Q28 R29 V30H22-E26 PolarHBondContact O-N 2.84Å; K23-E26 PolarHBondContact O-N 2.85Å; L24-E26 VanDerWaalsContact C-N 3.34Å; E26-Q28 VanDerWaalsContact C-N 3.29Å; E26-Q28 PolarHBondContact O-N 2.98Å; E26-R29 WeakPolarHBondContact O-CB 3.42Å; E26-R29 PolarHBondContact O-N 3.07Å; E26-R29 VanDerWaalsContact O-N 3.16Å; E26-V30 WeakPolarHBondContact O-CG2 3.42Å; E26-V30 PolarHBondContact O-N 2.98Å
27K97.5Very high96Very high152 Ų152107.5 Ų107.566%0.66150%0.497SS*.Hα-helixtrans-56.6-44173.2-76.1178.4178.5-176.90112K23 L24 E31K23-K27 WeakPolarHBondContact O-CG 3.4Å; K23-K27 PolarHBondContact O-N 3.16Å; L24-K27 PolarHBondContact O-N 3.35Å; K27-E31 VanDerWaalsContact O-CB 3.3Å; K27-E31 WeakPolarHBondContact O-CB 3.28Å; K27-E31 PolarHBondContact O-N 2.84Å
28Q97.7Very high95.3Very high77 Ų77109.4 Ų109.436%0.3650%0.504SS..Hα-helixtrans-66.1-40.9177.4-70.9-177.7600111.9L24 L25 E26 E31 I32L24-Q28 WeakPolarHBondContact O-CG 3.45Å; L24-Q28 PolarHBondContact O-N 3.32Å; L25-Q28 PolarHBondContact O-N 2.97Å; E26-Q28 VanDerWaalsContact C-N 3.29Å; E26-Q28 PolarHBondContact O-N 2.98Å; Q28-E31 PolarHBondContact O-N 3.45Å; Q28-I32 WeakPolarHBondContact O-CB 3.46Å; Q28-I32 WeakPolarHBondContact O-CD1 3.43Å; Q28-I32 WeakPolarHBondContact O-CG1 3.48Å; Q28-I32 PolarHBondContact O-N 2.9Å
29R97.6Very high94.5Very high151 Ų151108.1 Ų108.157%0.5751%0.508SS*.Hα-helixtrans-58-52.4176.1179.9-168.7158.787.29.5110.8L25 E26 E31 I32 E33L25-R29 PolarHBondContact O-N 3.36Å; E26-R29 WeakPolarHBondContact O-CB 3.42Å; E26-R29 PolarHBondContact O-N 3.07Å; E26-R29 VanDerWaalsContact O-N 3.16Å; R29-E31 VanDerWaalsContact C-N 3.34Å; R29-E31 PolarHBondContact O-N 2.89Å; R29-I32 PolarHBondContact O-N 3.31Å; R29-E33 WeakPolarHBondContact O-CB 3.44Å; R29-E33 PolarHBondContact O-N 3.46Å
30V97.1Very high93.1Very high76 Ų76112.3 Ų112.346%0.46152%0.518SS..Hα-helixtrans-60.7-43.2179.2172.90000111.1E26 E33 R34E26-V30 WeakPolarHBondContact O-CG2 3.42Å; E26-V30 PolarHBondContact O-N 2.98Å; V30-E33 PolarHBondContact O-N 3.48Å; V30-R34 VanDerWaalsContact O-CB 3.32Å; V30-R34 WeakPolarHBondContact O-CB 3.45Å; V30-R34 PolarHBondContact O-N 3.16Å
31E96.1Very high91.2Very high83 Ų83111.5 Ų111.539%0.38852%0.521SS..Hα-helixtrans-64.4-42.1178.1177.759.3-167.300112.2K27 Q28 R29 R34 L35K27-E31 VanDerWaalsContact O-CB 3.3Å; K27-E31 WeakPolarHBondContact O-CB 3.28Å; K27-E31 PolarHBondContact O-N 2.84Å; Q28-E31 PolarHBondContact O-N 3.45Å; R29-E31 VanDerWaalsContact C-N 3.34Å; R29-E31 PolarHBondContact O-N 2.89Å; E31-R34 VanDerWaalsContact CD-NH2 3.32Å; E31-R34 PolarHBondContact O-N 3.39Å; E31-R34 IonicContact OE1-CZ 3.51Å; E31-R34 IonicContact OE1-NE 3.69Å; E31-R34 IonicContact OE1-NH2 2.64Å; E31-R34 PolarHBondContact OE1-NH2 2.99Å; E31-R34 IonicContact OE2-CZ 3.43Å; E31-R34 IonicContact OE2-NE 2.79Å; E31-R34 PolarHBondContact OE2-NE 3.34Å; E31-R34 IonicContact OE2-NH2 3.29Å; E31-R34 PolarHBondContact OE2-NH2 3.47Å; E31-L35 HydrophobicContact CG-CD1 4.3Å; E31-L35 WeakPolarHBondContact O-CB 3.32Å; E31-L35 VanDerWaalsContact O-CG 3.28Å; E31-L35 WeakPolarHBondContact O-CG 3.43Å; E31-L35 PolarHBondContact O-N 3.26Å
32I94.4Very high89.2Confident80 Ų80112.7 Ų112.741%0.4154%0.536SS..Hα-helixtrans-63.4-43.6174.7-71165.9000110.6Q28 R29 L35 R36Q28-I32 WeakPolarHBondContact O-CB 3.46Å; Q28-I32 WeakPolarHBondContact O-CD1 3.43Å; Q28-I32 WeakPolarHBondContact O-CG1 3.48Å; Q28-I32 PolarHBondContact O-N 2.9Å; R29-I32 PolarHBondContact O-N 3.31Å; I32-L35 PolarHBondContact O-N 3.06Å; I32-R36 HydrophobicContact CG2-CG 4.3Å; I32-R36 WeakPolarHBondContact O-CB 3.29Å; I32-R36 VanDerWaalsContact O-CG 3.26Å; I32-R36 WeakPolarHBondContact O-CG 3.34Å; I32-R36 PolarHBondContact O-N 2.94Å
33E93.8Very high87.1Confident103 Ų103119.4 Ų119.448%0.48156%0.557SS.*Hα-helixtrans-61.2-47.2176.6-176166.8-113.900111R29 V30 L35 R36 S37R29-E33 WeakPolarHBondContact O-CB 3.44Å; R29-E33 PolarHBondContact O-N 3.46Å; V30-E33 PolarHBondContact O-N 3.48Å; E33-L35 VanDerWaalsContact C-N 3.32Å; E33-L35 PolarHBondContact O-N 3.5Å; E33-R36 PolarHBondContact O-N 3.02Å; E33-R36 VanDerWaalsContact O-N 3.16Å; E33-S37 PolarHBondContact O-N 3Å; E33-S37 PolarHBondContact O-OG 3.21Å; E33-S37 VanDerWaalsContact O-OG 3.09Å
34R93.8Very high84.8Confident93 Ų93116.5 Ų116.535%0.35156%0.558SS.*Hα-helixtrans-56.2-43.5174.4-168.1-162.96365.3-10.4112.1V30 E31 K38V30-R34 VanDerWaalsContact O-CB 3.32Å; V30-R34 WeakPolarHBondContact O-CB 3.45Å; V30-R34 PolarHBondContact O-N 3.16Å; E31-R34 VanDerWaalsContact CD-NH2 3.32Å; E31-R34 PolarHBondContact O-N 3.39Å; E31-R34 IonicContact OE1-CZ 3.51Å; E31-R34 IonicContact OE1-NE 3.69Å; E31-R34 IonicContact OE1-NH2 2.64Å; E31-R34 PolarHBondContact OE1-NH2 2.99Å; E31-R34 IonicContact OE2-CZ 3.43Å; E31-R34 IonicContact OE2-NE 2.79Å; E31-R34 PolarHBondContact OE2-NE 3.34Å; E31-R34 IonicContact OE2-NH2 3.29Å; E31-R34 PolarHBondContact OE2-NH2 3.47Å; R34-K38 VanDerWaalsContact NH1-CD 3.34Å; R34-K38 WeakPolarHBondContact O-CG 3.49Å; R34-K38 PolarHBondContact O-N 3.29Å
35L93.4Very high82.3Confident77 Ų77118 Ų11840%0.40357%0.572SS.*Hα-helixtrans-68.5-40.8176.7-72170.5000112.2E31 I32 E33 S37 K38 I39E31-L35 HydrophobicContact CG-CD1 4.3Å; E31-L35 WeakPolarHBondContact O-CB 3.32Å; E31-L35 VanDerWaalsContact O-CG 3.28Å; E31-L35 WeakPolarHBondContact O-CG 3.43Å; E31-L35 PolarHBondContact O-N 3.26Å; I32-L35 PolarHBondContact O-N 3.06Å; E33-L35 VanDerWaalsContact C-N 3.32Å; E33-L35 PolarHBondContact O-N 3.5Å; L35-S37 VanDerWaalsContact C-N 3.34Å; L35-S37 PolarHBondContact O-N 3.23Å; L35-K38 PolarHBondContact O-N 3.19Å; L35-I39 WeakPolarHBondContact O-CG1 3.3Å; L35-I39 PolarHBondContact O-N 3.26Å; L35-I39 VanDerWaalsContact O-N 3.12Å
36R91.1Very high79.6Confident164 Ų164119.1 Ų119.162%0.61959%0.588SS**Hα-helixtrans-63.7-40175.9-76.1175.5175.9-167-0.7111.7I32 E33 K38 I39 R40I32-R36 HydrophobicContact CG2-CG 4.3Å; I32-R36 WeakPolarHBondContact O-CB 3.29Å; I32-R36 VanDerWaalsContact O-CG 3.26Å; I32-R36 WeakPolarHBondContact O-CG 3.34Å; I32-R36 PolarHBondContact O-N 2.94Å; E33-R36 PolarHBondContact O-N 3.02Å; E33-R36 VanDerWaalsContact O-N 3.16Å; R36-K38 VanDerWaalsContact C-N 3.28Å; R36-K38 PolarHBondContact O-N 3.16Å; R36-I39 PolarHBondContact O-N 3.27Å; R36-I39 VanDerWaalsContact O-N 3.16Å; R36-R40 WeakPolarHBondContact O-CB 3.39Å; R36-R40 PolarHBondContact O-N 3.17Å
37S86.6Confident77.2Confident80 Ų80119.9 Ų119.956%0.55960%0.599SS**Hα-helixtrans-61.5-36.9174.9-63.40000112E33 L35E33-S37 PolarHBondContact O-N 3Å; E33-S37 PolarHBondContact O-OG 3.21Å; E33-S37 VanDerWaalsContact O-OG 3.09Å; L35-S37 VanDerWaalsContact C-N 3.34Å; L35-S37 PolarHBondContact O-N 3.23Å
38K84.1Confident74.4Confident139 Ų139118.6 Ų118.660%0.60460%0.6SS**Hα-helixtrans-69.6-29.7174-71.7-177.7174.3-176.10113.9R34 L35 R36 V41R34-K38 VanDerWaalsContact NH1-CD 3.34Å; R34-K38 WeakPolarHBondContact O-CG 3.49Å; R34-K38 PolarHBondContact O-N 3.29Å; L35-K38 PolarHBondContact O-N 3.19Å; R36-K38 VanDerWaalsContact C-N 3.28Å; R36-K38 PolarHBondContact O-N 3.16Å; K38-V41 WeakPolarHBondContact O-CG2 3.47Å
39I79.7Confident72.4Confident142 Ų142120.9 Ų120.973%0.72862%0.621SS**Hα-helixtrans-86-33.1179.6-65.1167.3000111.3L35 R36 V41L35-I39 WeakPolarHBondContact O-CG1 3.3Å; L35-I39 PolarHBondContact O-N 3.26Å; L35-I39 VanDerWaalsContact O-N 3.12Å; R36-I39 PolarHBondContact O-N 3.27Å; R36-I39 VanDerWaalsContact O-N 3.16Å; I39-V41 PolarHBondContact O-N 3.38Å
40R67.9Low70.3Confident197 Ų197122 Ų12274%0.74363%0.633SS**  trans-75.334.6177.5-159.3-172.8-80.7150-6.9112.1R36 P42R36-R40 WeakPolarHBondContact O-CB 3.39Å; R36-R40 PolarHBondContact O-N 3.17Å; R40-P42 WeakPolarHBondContact O-CD 3.26Å; R40-P42 VanDerWaalsContact O-N 3.12Å
41V58.6Low68Low105 Ų105126.7 Ų126.764%0.63665%0.652SS**  trans-47.7124.5165.2178.60000107.3K38 I39 R43K38-V41 WeakPolarHBondContact O-CG2 3.47Å; I39-V41 PolarHBondContact O-N 3.38Å; V41-R43 PolarHBondContact O-N 2.92Å
42P55.5Low65.9Low107 Ų107130.6 Ų130.670%0.69567%0.674SS**  trans-59.5101.4-179.2-21.231.2000109.7R40 A44R40-P42 WeakPolarHBondContact O-CD 3.26Å; R40-P42 VanDerWaalsContact O-N 3.12Å; P42-A44 PolarHBondContact O-N 3.21Å
43R53.3Low63.6Low252 Ų252130 Ų13095%0.95169%0.687SS**  trans-71.325.3168.8-162.8-174.515074.92.1111.6V41V41-R43 PolarHBondContact O-N 2.92Å
44A48.6Very low61.3Low77 Ų77132.9 Ų132.964%0.63671%0.706SS**SBendtrans-149.467.2-171.900000111P42P42-A44 PolarHBondContact O-N 3.21Å
45T45.4Very low59.1Low119 Ų119135.9 Ų135.973%0.7373%0.729SS**  trans-179.8105.7134.243.30000108.5V47T45-V47 VanDerWaalsContact C-N 3.27Å; T45-V47 PolarHBondContact O-N 3.45Å
46S41.9Very low57.1Low125 Ų125141.5 Ų141.587%0.87475%0.753SS**  trans-65.285.6161.651.20000109.2
47V47.2Very low55.3Low119 Ų119137.1 Ų137.172%0.72175%0.751SS**  trans-162.793.4161.8-90.50000109.6T45T45-V47 VanDerWaalsContact C-N 3.27Å; T45-V47 PolarHBondContact O-N 3.45Å
48N38.2Very low53.7Low125 Ų125138.4 Ų138.467%0.66875%0.752SS**  trans54.3100.2140.6-154.4-16.1000120E50N48-E50 VanDerWaalsContact OD1-CB 3.31Å; N48-E50 WeakPolarHBondContact OD1-CB 3.28Å; N48-E50 PolarHBondContact OD1-N 3.49Å
49P55.6Low52.3Low125 Ų125137.7 Ų137.781%0.81276%0.759SS**  trans-9930.3165.138.1-32000114.4M51P49-M51 PolarHBondContact O-N 3.38Å; P49-M51 VanDerWaalsContact O-N 3.11Å
50E53.3Low51.3Low174 Ų174135.8 Ų135.881%0.81376%0.755SS**THydrogen-bonded Turntrans-78.927.8178.7-70.5-158.6148.600115.4N48N48-E50 VanDerWaalsContact OD1-CB 3.31Å; N48-E50 WeakPolarHBondContact OD1-CB 3.28Å; N48-E50 PolarHBondContact OD1-N 3.49Å
51M49.9Very low50.6Low174 Ų174131.1 Ų131.186%0.85774%0.744SS**THydrogen-bonded Turntrans-141.514.3-171-116.9-173.757.300118.6P49P49-M51 PolarHBondContact O-N 3.38Å; P49-M51 VanDerWaalsContact O-N 3.11Å
52I51.6Low50.7Low166 Ų166130.1 Ų130.185%0.85174%0.738SS**  trans-125111.9163-94.582.6000104.2
53G47Very low50.8Low67 Ų67128.2 Ų128.269%0.69173%0.731SS**  cis11196.336.200000106.8
54D44.3Very low51.1Low164 Ų164121.4 Ų121.488%0.87771%0.713SS**  trans52.796.8170.4-75.1-22.7000118.2
55D47Very low51.6Low155 Ų155124.1 Ų124.183%0.82971%0.713SS**  175.1136.4114-119.9-26.8000111.2A57D55-A57 PolarHBondContact O-N 2.87Å
56E51.7Low52.2Low196 Ų196122.7 Ų122.792%0.91671%0.708SS**THydrogen-bonded Turntrans-66.229.2-173.5-90.8-104.5138.800116.2
57A55Low52.9Low71 Ų71120.4 Ų120.459%0.58770%0.696SS**THydrogen-bonded Turntrans-113.3-11.5-169.800000116.5D55D55-A57 PolarHBondContact O-N 2.87Å
58D52.9Low53.5Low107 Ų107121.5 Ų121.557%0.57270%0.697SS**  trans-99.11.6-164.5-93-24000116.7T60 L61 T62D58-T60 PolarHBondContact O-N 3.44Å; D58-L61 PolarHBondContact O-N 2.94Å; D58-T62 PolarHBondContact O-OG1 3.27Å
59T54.9Low54.5Low124 Ų124118.3 Ų118.376%0.76169%0.694SS**Hα-helixtrans-65.1-24.4179.945.10000113.7
60T56.6Low54.6Low103 Ų103119.8 Ų119.863%0.63270%0.695SS**Hα-helixtrans-79.2-24.8177.128.20000114.8D58D58-T60 PolarHBondContact O-N 3.44Å
61L55.3Low54.8Low98 Ų98114.9 Ų114.951%0.51369%0.685SS.*Hα-helixtrans-80.9-36.1-175.8-110164.8000112.3D58 L64 Q65D58-L61 PolarHBondContact O-N 2.94Å; L61-L64 PolarHBondContact O-N 2.99Å; L61-Q65 PolarHBondContact O-N 3.34Å
62T58.7Low55.2Low85 Ų85111.9 Ų111.952%0.52168%0.681SS.*Hα-helixtrans-69.4-33.6179.1-43.70000112.3D58 S66D58-T62 PolarHBondContact O-OG1 3.27Å; T62-S66 PolarHBondContact O-N 3.49Å; T62-S66 PolarHBondContact O-OG 2.92Å; T62-S66 VanDerWaalsContact O-OG 3.08Å
63A59.2Low55.7Low66 Ų66111 Ų11155%0.54568%0.677SS.*Hα-helixtrans-68.3-38.1176.400000112.6S66 A67A63-S66 PolarHBondContact O-N 3.35Å; A63-A67 PolarHBondContact O-N 3.1Å
64L59Low56.9Low110 Ų110113 Ų11358%0.57668%0.68SS**Hα-helixtrans-70.6-36.2177.3-75.5167.9000112.5L61 S66 A67 L68L61-L64 PolarHBondContact O-N 2.99Å; L64-S66 VanDerWaalsContact C-N 3.3Å; L64-S66 PolarHBondContact O-N 3.01Å; L64-A67 PolarHBondContact O-N 3.32Å; L64-L68 WeakPolarHBondContact O-CD1 3.46Å; L64-L68 PolarHBondContact O-N 2.96Å
65Q58.9Low58.1Low134 Ų134112.4 Ų112.463%0.62668%0.676SS**Hα-helixtrans-65.3-33.2176-75.2178.3-6.500112.7L61L61-Q65 PolarHBondContact O-N 3.34Å
66S58.1Low59.3Low88 Ų88110.9 Ų110.962%0.61568%0.675SS**Hα-helixtrans-72.6-32.9176.3-57.10000112.5T62 A63 L64T62-S66 PolarHBondContact O-N 3.49Å; T62-S66 PolarHBondContact O-OG 2.92Å; T62-S66 VanDerWaalsContact O-OG 3.08Å; A63-S66 PolarHBondContact O-N 3.35Å; L64-S66 VanDerWaalsContact C-N 3.3Å; L64-S66 PolarHBondContact O-N 3.01Å
67A57.3Low60.3Low77 Ų77106.3 Ų106.364%0.63667%0.671SS**Hα-helixtrans-74-26.7178.700000113.7A63 L64A63-A67 PolarHBondContact O-N 3.1Å; L64-A67 PolarHBondContact O-N 3.32Å
68L59.6Low60.9Low142 Ų142108.1 Ų108.174%0.74368%0.679SS**THydrogen-bonded Turntrans-82.8-12.5179.8-76.2154.9000113.6L64L64-L68 WeakPolarHBondContact O-CD1 3.46Å; L64-L68 PolarHBondContact O-N 2.96Å
69G59.1Low62Low59 Ų59108.2 Ų108.261%0.60869%0.685SS**THydrogen-bonded Turntrans-81.3-15.2-172.800000116.6
70N58Low63.2Low156 Ų156107.8 Ų107.883%0.83469%0.685SS**THydrogen-bonded Turntrans-111.410.6-172.7-79.718.9000114.7S72N70-S72 PolarHBondContact O-N 2.88Å; N70-S72 VanDerWaalsContact O-N 3.1Å
71A56.5Low64.1Low71 Ų71108.3 Ų108.359%0.58769%0.69SS**  trans-77.496.1170.900000109.6L73A71-L73 PolarHBondContact O-N 2.93Å
72S59.4Low64.8Low111 Ų111111.1 Ų111.178%0.77671%0.706SS**  trans-59.2101.6168.7-175.80000109.5N70 S74N70-S72 PolarHBondContact O-N 2.88Å; N70-S72 VanDerWaalsContact O-N 3.1Å; S72-S74 PolarHBondContact O-N 3.33Å
73L62Low65.2Low148 Ų148112.7 Ų112.778%0.77572%0.715SS**  trans-87.388.9174.2-64.1174.4000108.5A71 L75A71-L73 PolarHBondContact O-N 2.93Å; L73-L75 PolarHBondContact O-N 3.29Å
74S71Confident65.5Low107 Ų107117.8 Ų117.875%0.74873%0.727SS**  trans-64.5113.5163.6-34.60000107.6S72S72-S74 PolarHBondContact O-N 3.33Å
75L69.5Low65.2Low153 Ų153118 Ų11880%0.80173%0.734SS**PPolyproline II helixtrans-65.7135.4174.3-62.5175.7000108.7L73 A77L73-L75 PolarHBondContact O-N 3.29Å; L75-A77 PolarHBondContact O-N 2.86Å
76P72.9Confident64.8Low122 Ų122118.1 Ų118.179%0.79274%0.744SS**PPolyproline II helixtrans-58.3129.5169.725.2-32.3000108.6S78P76-S78 PolarHBondContact O-N 3.43Å
77A72.5Confident64.4Low101 Ų101122.2 Ų122.284%0.83575%0.75SS**PPolyproline II helixtrans-57.2131.5175.900000109.6L75L75-A77 PolarHBondContact O-N 2.86Å
78S68.4Low64.2Low109 Ų109124.3 Ų124.376%0.76276%0.755SS**PPolyproline II helixtrans-58.6138179-167.80000110.6P76P76-S78 PolarHBondContact O-N 3.43Å
79P75.6Confident63.7Low108 Ų108124.3 Ų124.370%0.70176%0.756SS**PPolyproline II helixtrans-63.7147.2172.926.4-33.1000110.8
80P79.1Confident63.2Low116 Ų116127 Ų12775%0.75376%0.76SS**PPolyproline II helixtrans-66.9148.4176.426.9-32.7000111.6
81P75.1Confident62.6Low113 Ų113125.1 Ų125.173%0.73476%0.755SS**PPolyproline II helixtrans-66.1133.1177.925.8-32.4000111.7T83P81-T83 PolarHBondContact O-N 3.47Å
82N71.4Confident62.2Low158 Ų158128.2 Ų128.285%0.84577%0.766SS**  trans-67111.6171.2-106-1.8000109.9
83T67.6Low61.7Low118 Ų118130.4 Ų130.472%0.72477%0.768SS**  trans-100.180.5170.247.30000109.9P81 T85P81-T83 PolarHBondContact O-N 3.47Å; T83-T85 PolarHBondContact O-N 3.17Å
84E65.1Low61.1Low172 Ų172128.8 Ų128.880%0.80477%0.766SS**  trans-69.6100.7165.4-74.5-173.6139.600109T86E84-T86 PolarHBondContact O-N 3.39Å
85T52.4Low60Low116 Ų116129.1 Ų129.171%0.71277%0.769SS**  trans-8682.917336.80000108.9T83 K87T83-T85 PolarHBondContact O-N 3.17Å; T85-K87 VanDerWaalsContact C-N 3.27Å; T85-K87 PolarHBondContact O-N 2.87Å
86T49.9Very low59Low136 Ų136128.9 Ų128.983%0.83477%0.768SS**  trans-78.386.1167.9-52.50000108.8E84E84-T86 PolarHBondContact O-N 3.39Å
87K51.1Low58.2Low173 Ų173129.2 Ų129.275%0.75277%0.768SS**  trans-70.1133.5163.5-77.9179.3172.3176.10109.2T85T85-K87 VanDerWaalsContact C-N 3.27Å; T85-K87 PolarHBondContact O-N 2.87Å
88V52.7Low57.2Low121 Ų121131.6 Ų131.673%0.73377%0.766SS**  trans65.7119.7147.8-61.40000119.9
89N49.1Very low56.2Low142 Ų142131.4 Ų131.476%0.75977%0.77SS**  trans88.8106.5136.1-7217.1000119.1
90T47.9Very low55.2Low115 Ų115132 Ų13271%0.70677%0.772SS**  85.593.6127.5-47.80000116.6
91T45.8Very low53.8Low118 Ų118137.1 Ų137.172%0.72478%0.776SS**  70.1137128-44.50000118.3
92V48.7Very low52.8Low135 Ų135140.5 Ų140.582%0.81878%0.784SS**  trans75115.8174.4-78.70000118.9
93I47.7Very low51.9Low157 Ų157137.7 Ų137.781%0.80577%0.773SS**  trans-69.8133.2177-56.6161.6000109.7
94P49.1Very low51.3Low114 Ų114139.5 Ų139.574%0.7478%0.775SS**  trans-140112.4139.132.3-15.1000111.9D96P94-D96 PolarHBondContact O-N 3.39Å
95S48.8Very low50.4Low115 Ų115136.6 Ų136.680%0.80477%0.774SS**  trans-86.284.2168.9-6.20000109.4
96D49Very low50.2Low147 Ų147139.9 Ų139.979%0.78678%0.781SS**  trans-115.7169.4158.2-100.6-41.1000107.9P94P94-D96 PolarHBondContact O-N 3.39Å
97V56.2Low50.1Low130 Ų130139 Ų13979%0.78878%0.781SS**  trans88.875174.6-153.10000114.8
98L51.5Low50Low151 Ų151135.5 Ų135.579%0.79178%0.778SS**  178.672.3114.9-90.1163.2000110.6T100L98-T100 PolarHBondContact O-N 3.1Å
99A47.5Very low49.8Very low104 Ų104136 Ų13686%0.8678%0.781SS**  trans-7499.3155.400000108.5
100T53.5Low49.7Very low120 Ų120138.6 Ų138.674%0.73679%0.786SS**  trans-119.772.3159.9-51.90000108.6L98L98-T100 PolarHBondContact O-N 3.1Å
101R48.9Very low50.1Low224 Ų224138.5 Ų138.585%0.84579%0.79SS**  trans-88.7102.4165.2178.3-174.6-178.3-138.52.1107
102M55.6Low50.3Low184 Ų184137.3 Ų137.391%0.90679%0.787SS**  trans-127.2109.7159.3-73.2-133.4178.100109.3
103T52.6Low50.4Low99 Ų99137.3 Ų137.361%0.60778%0.782SS**  trans-76.2157.7169.5520000110.5
104M53.3Low50.3Low157 Ų157136.3 Ų136.377%0.77378%0.783SS**  trans119.6140.9144.5-59.6-11761.700115.9
105S47.4Very low50.5Low111 Ų111136.6 Ų136.678%0.77679%0.787SS**  trans112.991.2151.2-55.70000115.9
106Q48.1Very low50.4Low184 Ų184138.1 Ų138.186%0.8679%0.791SS**  trans-43.8147.2150.6-52.3169.516.400111.6
107S47.4Very low50.5Low119 Ų119136.6 Ų136.683%0.83279%0.792SS**  168.2130.9128.7178.50000111.8
108S49.9Very low50.2Low98 Ų98135.9 Ų135.969%0.68579%0.793SS**  trans-55.4150174.2-43.80000114.6
109T46.8Very low50.4Low131 Ų131140.1 Ų140.180%0.80480%0.799SS**  169.2133.4114.736.40000112.3
110K47.8Very low50.8Low198 Ų198143 Ų14386%0.86179%0.794SS**  trans25.5114.6145.2-70.5172.1164.7179.50118.6
111S56.2Low50.8Low112 Ų112145.8 Ų145.878%0.78379%0.791SS**  161.3117.2119.963.10000107.9
112S50.5Low51.1Low94 Ų94140.7 Ų140.766%0.65778%0.781SS**  85.7120.299.1-1710000112
113N50.5Low51Low134 Ų134138.2 Ų138.272%0.71777%0.771SS**  trans86.2102.4155.4-59.6-5.3000118.4
114V45.8Very low51.4Low137 Ų137141.1 Ų141.183%0.8378%0.778SS**  trans37.197.1136.6-71.30000116.8
115S52.5Low51.4Low119 Ų119138.9 Ų138.983%0.83278%0.778SS**  trans-144.9100.5153.2-77.90000109.3
116V47.5Very low52.1Low147 Ų147137.9 Ų137.989%0.89178%0.776SS**  trans-53.3149.6155.5-82.90000109.4
117S50.3Low52.8Low115 Ų115134.5 Ų134.580%0.80477%0.77SS**  trans102.590.7170.7-155.40000115.4
118S51.7Low53.6Low116 Ų116133.8 Ų133.881%0.81176%0.763SS**  trans-142.976.1141.4-149.50000108.4H120S118-H120 PolarHBondContact O-N 2.91Å; S118-H120 VanDerWaalsContact O-N 3.08Å
119R55Low54.6Low239 Ų239140.2 Ų140.290%0.90277%0.772SS**  trans-77.880.2164.8-77.6-174.3168.3-172.8-1.4107.8R121R119-R121 VanDerWaalsContact C-N 3.26Å; R119-R121 PolarHBondContact O-N 3.29Å
120H55.4Low55.2Low166 Ų166141.6 Ų141.677%0.76977%0.769SS**  trans-79.583.1160.2-139.751.3000106.9S118S118-H120 PolarHBondContact O-N 2.91Å; S118-H120 VanDerWaalsContact O-N 3.08Å
121R53Low55.7Low177 Ų177140.1 Ų140.167%0.66877%0.765SS**  trans-121.885.2166.4-89.3-156.8177.8-169.60108.4R119 N123R119-R121 VanDerWaalsContact C-N 3.26Å; R119-R121 PolarHBondContact O-N 3.29Å; R121-N123 PolarHBondContact O-N 2.83Å
122D55.9Low55.7Low117 Ų117143.3 Ų143.363%0.62677%0.767SS**  trans-5691.5147.4-100-64.6000108.4Q124D122-Q124 HydrophobicContact CB-CG 4.36Å; D122-Q124 PolarHBondContact O-N 3.17Å; D122-Q124 VanDerWaalsContact O-N 3.16Å; D122-Q124 WeakPolarHBondContact OD1-CG 3.43Å
123N53.2Low56.1Low132 Ų132147.1 Ų147.171%0.70677%0.774SS**  trans-83.460.9165.7-93-19.9000109R121 S125R121-N123 PolarHBondContact O-N 2.83Å; N123-S125 PolarHBondContact O-N 3.27Å
124Q60.4Low56.6Low161 Ų161148.4 Ų148.475%0.75278%0.776SS**  trans-84.949.2172.6-71.7-101.220.700111.1D122D122-Q124 HydrophobicContact CB-CG 4.36Å; D122-Q124 PolarHBondContact O-N 3.17Å; D122-Q124 VanDerWaalsContact O-N 3.16Å; D122-Q124 WeakPolarHBondContact OD1-CG 3.43Å
125S55.2Low57.7Low109 Ų109147.6 Ų147.676%0.76277%0.773SS**  trans-132.157.2-179-54.90000111.7N123N123-S125 PolarHBondContact O-N 3.27Å
126A61Low58.1Low90 Ų90149.4 Ų149.474%0.74477%0.768SS**PPolyproline II helixtrans-85.1124.714700000107.1
127P63.1Low58.9Low113 Ų113147.7 Ų147.773%0.73476%0.76SS**PPolyproline II helixtrans-64.2141.4176.126.2-31.4000109.6R129P127-R129 PolarHBondContact O-N 2.89Å
128P64.6Low59.7Low104 Ų104148.2 Ų148.268%0.67576%0.761SS**PPolyproline II helixtrans-56.1131.8170.9-19.830.5000109.6H130P128-H130 VanDerWaalsContact C-N 3.33Å; P128-H130 PolarHBondContact O-N 3.34Å
129R69.8Low59.9Low233 Ų233151.7 Ų151.788%0.87976%0.764SS**  trans-64.697.9166.9-69.4-170.2177.4-157.30.6107.5P127 H131P127-R129 PolarHBondContact O-N 2.89Å; R129-H131 PolarHBondContact O-N 3.03Å
130H59.3Low59.7Low160 Ų160148.8 Ų148.874%0.74176%0.76SS**  trans-65.3102.2171.2-82.1-77.9000108.7P128 H132P128-H130 VanDerWaalsContact C-N 3.33Å; P128-H130 PolarHBondContact O-N 3.34Å; H130-H132 VanDerWaalsContact C-N 3.34Å; H130-H132 PolarHBondContact O-N 3.03Å
131H59.3Low59.6Low167 Ų167146.1 Ų146.177%0.77376%0.757SS**  trans-64.396.8162.8-75.2-76.2000108R129 H133R129-H131 PolarHBondContact O-N 3.03Å; H131-H133 PolarHBondContact O-N 2.95Å
132H56.4Low59.6Low180 Ų180145.2 Ų145.283%0.83376%0.76SS**  trans-66.3101.5165.7-85-65.6000108.5H130 Q134H130-H132 VanDerWaalsContact C-N 3.34Å; H130-H132 PolarHBondContact O-N 3.03Å; H132-Q134 PolarHBondContact O-N 2.98Å; H132-Q134 VanDerWaalsContact O-N 3.15Å
133H59Low59.4Low173 Ų173145.4 Ų145.480%0.80176%0.761SS**  trans-58.9111.5157.1-76.7-74.4000108H131 P135H131-H133 PolarHBondContact O-N 2.95Å; H133-P135 WeakPolarHBondContact O-CD 3.34Å
134Q59.5Low59.2Low162 Ų162146.6 Ų146.676%0.75776%0.762SS**PPolyproline II helixtrans-55.9125.3161.5-95.5-168.2-18.800109.6H132H132-Q134 PolarHBondContact O-N 2.98Å; H132-Q134 VanDerWaalsContact O-N 3.15Å
135P68.7Low58.6Low119 Ų119145 Ų14577%0.77376%0.759SS**PPolyproline II helixtrans-88.9122.6153.927.7-16.3000108.9H133H133-P135 WeakPolarHBondContact O-CD 3.34Å
136H61.9Low58.4Low157 Ų157147 Ų14773%0.72776%0.756SS**PPolyproline II helixtrans-60.5139.3173.9-70.2-89.4000111.4
137P63.7Low57.9Low111 Ų111153.6 Ų153.672%0.72176%0.763SS**PPolyproline II helixtrans-83.5133.9171.332.4-29.3000110.4
138P68.1Low57Low126 Ų126156.6 Ų156.682%0.81877%0.767SS**PPolyproline II helixtrans-84.6145.8164.331.6-27.1000111.1
139H55.8Low56.8Low189 Ų189156.9 Ų156.988%0.87577%0.769SS**PPolyproline II helixtrans-65.8149.4-168.5-79.4-108.4000116.5
140H50.6Low56Low179 Ų179150.3 Ų150.383%0.82976%0.756SS**  trans-32.5172153.3-106.8-60.6000116.2
141P53.1Low55.7Low109 Ų109150.7 Ų150.771%0.70876%0.758SS**  cis-152.5-167.139.234.9-8.5000117.6
142H54Low55.2Low158 Ų158147.4 Ų147.473%0.73175%0.747SS**  trans82.4130.8156-105.515.1000117
143L50.3Low55Low122 Ų122145.8 Ų145.864%0.63974%0.739SS**  cis-171.8163.725.6-108.6168.1000113
144Q49.5Very low54.8Low157 Ų157144.3 Ų144.373%0.73474%0.743SS**  trans85.8106.1159.6-70.617625.200118.6
145N47.6Very low54.3Low127 Ų127142.7 Ų142.768%0.67975%0.749SS**  74.512883.8-74.7-14.1000112
146H52.1Low53.3Low152 Ų152141.3 Ų141.370%0.70475%0.748SS**  cis-164.1168.816.3-80.5-35.8000110.8
147Y49.3Very low52.9Low228 Ų228140.9 Ų140.989%0.89476%0.756SS**  trans91.297158.5-82.8-83000121.6
148H45.2Very low52.8Low175 Ų175139.7 Ų139.781%0.8176%0.756SS**  trans-76.4-175.2153.4-88.4-62000112
149P59.8Low51.9Low110 Ų110139.6 Ų139.671%0.71476%0.755SS**  cis-136.8-146.1-18.329.9-3.9000110.5
150P53.5Low51.4Low96 Ų96136.3 Ų136.362%0.62375%0.752SS**  cis-127.2162.9-37.920.42.9000113.9
151Q52Low51.6Low167 Ų167133.6 Ų133.678%0.7875%0.75SS**  55.4138.5129.4-62.7-1711200119.2
152N49.2Very low51.2Low99 Ų99134.4 Ų134.453%0.52976%0.759SS.*  cis172160.124.1-121.2-10.7000108.8
153H52.9Low51.2Low146 Ų146131.3 Ų131.368%0.67676%0.761SS**  trans64111.7155.3-33.3-50.5000119.8
154T54.5Low51Low142 Ų142133.4 Ų133.487%0.87177%0.769SS**  171.513391.2330000110.1
155S48.2Very low51.6Low127 Ų127132.6 Ų132.689%0.88877%0.774SS**  trans-70.6127-175-13.10000111.5
156A48.4Very low51.4Low91 Ų91134 Ų13475%0.75278%0.777SS**  trans-91.1135167.300000110.2
157T53.8Low51.3Low148 Ų148133.3 Ų133.391%0.90878%0.778SS**  trans-139.8110.3145.4-49.40000107
158A61Low51.2Low86 Ų86130.5 Ų130.571%0.71177%0.773SS**  trans-81.8153.9-166.600000113.1
159P50.3Low51.2Low123 Ų123126.6 Ų126.680%0.79977%0.77SS**  trans-85.2167.2163.435.5-30.4000112
160C45.3Very low51.1Low120 Ų120128.4 Ų128.481%0.81178%0.779SS**  trans-38.9170.2-180-58.20000117.3
161P53Low50.8Low123 Ų123128.7 Ų128.780%0.79978%0.783SS**  -149.4150105.933.8-15.5000116.9
162S45Very low50.7Low126 Ų126127.3 Ų127.388%0.88178%0.781SS**  trans-52.7138.2152.8-63.60000111.3
163A54.2Low50.9Low93 Ų93129.1 Ų129.177%0.76979%0.791SS**  trans-135.3113.4160.600000109.7
164M46.8Very low50.7Low165 Ų165128.6 Ų128.681%0.81379%0.794SS**  trans-55.1135.4158.1-69.1173.569.400109.8
165V61.8Low50.8Low140 Ų140128.1 Ų128.185%0.84879%0.79SS**  trans-132.599.3151.2179.60000107.9
166Q43.7Very low50.8Low157 Ų157129.6 Ų129.673%0.73479%0.788SS**  trans-81.1136.7157.2-171.7161.330.300106.6
167L49.9Very low51.5Low138 Ų138129.9 Ų129.972%0.72378%0.782SS**  trans174.1120.3145-90.4160.3000112.8
168Q46.7Very low51.1Low169 Ų169130.2 Ų130.279%0.7978%0.777SS**  trans6999.5135.1-75.6168.910.800122.4
169A45.6Very low51.2Low92 Ų92134.8 Ų134.876%0.7678%0.784SS**  33.8116.9113.300000120.2
170V56.8Low51.8Low148 Ų148136 Ų13690%0.89778%0.779SS**  -154.7114.7125.2-123.50000110.6
171S48Very low53Low102 Ų102135.3 Ų135.371%0.71377%0.773SS**  trans-64.7141.8158.8-64.20000110
172N50.4Low54Low138 Ų138135.3 Ų135.374%0.73877%0.773SS**  163.7142120.1-87-12.2000114.3
173N53.5Low55.1Low137 Ų137136.9 Ų136.973%0.73377%0.766SS**  trans79.9104.7148.4-62-20000118.1
174N48.5Very low56.1Low136 Ų136138.1 Ų138.173%0.72777%0.766SS**  69.297.571.7-174.125.2000111.6
175V56.9Low57Low131 Ų131136.4 Ų136.479%0.79477%0.765SS**  -174.6117.5118.3-95.20000109.8
176N48.1Very low56.7Low158 Ų158135.8 Ų135.885%0.84577%0.767SS**  trans-106.8108.2170.1-169.69.3000107
177P61.6Low57.8Low98 Ų98132.9 Ų132.964%0.63676%0.764SS**  trans-95.6101.8170.432.2-24.8000109.7H179P177-H179 PolarHBondContact O-N 3Å; P177-H179 VanDerWaalsContact O-N 3.08Å
178L46.6Very low58.6Low154 Ų154135.2 Ų135.281%0.80677%0.771SS**  trans-12.399.1146.6-150.581.4000113.3
179H63.1Low59.7Low183 Ų183134.6 Ų134.685%0.84777%0.771SS**  trans-10094.9165.2-10471000108.8P177P177-H179 PolarHBondContact O-N 3Å; P177-H179 VanDerWaalsContact O-N 3.08Å
180Q63.1Low61.2Low147 Ų147135 Ų13569%0.68777%0.767SS**PPolyproline II helixtrans-67.9127.1171.1-144.1173.853.100108.5
181P70.1Confident62.2Low106 Ų106134.1 Ų134.169%0.68876%0.764SS**PPolyproline II helixtrans-69140170.327.5-31.5000109.8H183P181-H183 PolarHBondContact O-N 3.24Å
182P74.3Confident62.7Low124 Ų124138.6 Ų138.681%0.80577%0.773SS**PPolyproline II helixtrans-67.2130.3-179.626.8-32.8000110.8
183H66.9Low63.7Low158 Ų158140.2 Ų140.273%0.73181%0.806SS**PPolyproline II helixtrans-60134.1169.9-64.1-85.9000110.2P181 V185P181-H183 PolarHBondContact O-N 3.24Å; H183-V185 PolarHBondContact O-N 3.37Å; H183-V185 VanDerWaalsContact O-N 3.15Å
184P74.8Confident64.2Low119 Ų119140.4 Ų140.477%0.77381%0.809SS**  trans-70.5111.8170.127.2-30.6000109.5S186P184-S186 PolarHBondContact O-N 3.42Å
185V67.7Low65Low130 Ų130140.6 Ų140.679%0.78881%0.814SS**  trans-56.1114.3165.8-1060000109.3H183 S187H183-V185 PolarHBondContact O-N 3.37Å; H183-V185 VanDerWaalsContact O-N 3.15Å; V185-S187 VanDerWaalsContact C-N 3.31Å; V185-S187 PolarHBondContact O-N 3.04Å
186S54Low65.5Low126 Ų126141.1 Ų141.188%0.88182%0.815SS**  trans-64.892.7162.3-84.30000108.7P184P184-S186 PolarHBondContact O-N 3.42Å
187S67.4Low66.5Low96 Ų96140.1 Ų140.167%0.67181%0.813SS**  trans-98.295165.4-63.70000108.6V185 I189V185-S187 VanDerWaalsContact C-N 3.31Å; V185-S187 PolarHBondContact O-N 3.04Å; S187-I189 PolarHBondContact O-N 3.15Å
188Q67.3Low66.8Low187 Ų187142.8 Ų142.887%0.87482%0.824SS**  trans-33.9113.2159.5-171.8173.360.300112
189I69.8Low68.2Low156 Ų156142 Ų14280%0.883%0.825SS**PPolyproline II helixtrans-92.6118.4168-63.2172.5000107.2S187S187-I189 PolarHBondContact O-N 3.15Å
190P75.8Confident68.5Low102 Ų102139.1 Ų139.166%0.66282%0.824SS**PPolyproline II helixtrans-74.2147.1168.328.8-30.9000111
191P78.2Confident69Low129 Ų129138.5 Ų138.584%0.83883%0.834SS**PPolyproline II helixtrans-69.1151.2179.928.1-33.3000112.5
192Q58.5Low68.9Low195 Ų195141.2 Ų141.291%0.91185%0.846SS**PPolyproline II helixtrans-61.1154.6-179.3-60.5-176.69.600113.1
193A71.9Confident68.4Low172 Ų172142.7 Ų142.7100%1.42185%0.85SS**  trans-109.60148.300000108.1

Retrieved 193 of 193 residues in 24.6 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).