A0A087Y6X3_POEFO Loading...

Troponin I2, fast skeletal type

Troponin I is the inhibitory subunit of troponin, the thin filament regulatory complex which confers calcium-sensitivity to striated muscle actomyosin ATPase activity.

AlphaFold DB , UniProt , Accession A0A087Y6X3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 171 aa.

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

 

Download Structure   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
1F41.3Very low79.1Confident267 Ų267139.5 Ų139.5100%1.17168%0.677SS**  094.40-69.3-92.5000110.7
2R58.9Low80.4Confident239 Ų239137.7 Ų137.790%0.90267%0.666SS**  trans-90.9105.1166.7-84.6-175.9168.9-164.6-3.2107.1
3G67.2Low81.6Confident67 Ų67134.7 Ų134.769%0.69165%0.65SS**PPolyproline II helixtrans-53.315017900000112.5K5G3-K5 PolarHBondContact O-N 3.11Å; G3-K5 VanDerWaalsContact O-N 3.14Å
4K75.3Confident82.6Confident218 Ų218129.1 Ų129.195%0.94863%0.625SS**PPolyproline II helixtrans-56.5116.9-178.5-140.3171.4-173175.20109.2
5K81.6Confident83.5Confident173 Ų173129.5 Ų129.575%0.75262%0.622SS**PPolyproline II helixtrans-64138.5179.9-68.4-176.9178.9179.50109.8G3 T7G3-K5 PolarHBondContact O-N 3.11Å; G3-K5 VanDerWaalsContact O-N 3.14Å; K5-T7 PolarHBondContact O-N 3.48Å
6M86.4Confident84.3Confident97 Ų97125.3 Ų125.348%0.47861%0.61SS.*PPolyproline II helixtrans-53.2137.7177.4-174.1148.864.600111.5R10 R11 L14M6-R10 HydrophobicContact CG-CB 3.82Å; M6-R10 HydrophobicContact CG-CG 3.8Å; M6-R10 HydrophobicContact SD-CB 4.16Å; M6-R10 HydrophobicContact SD-CG 3.45Å; M6-R10 WeakPolarHBondContact SD-CG 3.45Å; M6-R11 HydrophobicContact CB-CG 4.28Å; M6-R11 HydrophobicContact CE-CG 3.79Å; M6-R11 HydrophobicContact CG-CG 4.07Å; M6-L14 HydrophobicContact CE-CD1 3.58Å; M6-L14 HydrophobicContact SD-CD1 4.01Å
7T91.1Very high85.1Confident94 Ų94122 Ų12258%0.57760%0.596SS**PPolyproline II helixtrans-61149.9-178.666.10000110.8K5 S9 R10 R11K5-T7 PolarHBondContact O-N 3.48Å; T7-S9 VanDerWaalsContact C-N 3.28Å; T7-S9 PolarHBondContact O-N 3.36Å; T7-R10 PolarHBondContact O-N 3.21Å; T7-R10 WeakPolarHBondContact OG1-CB 3.47Å; T7-R10 PolarHBondContact OG1-N 2.93Å; T7-R11 PolarHBondContact O-N 3.04Å; T7-R11 VanDerWaalsContact O-N 3.13Å
8S90.4Very high85.7Confident62 Ų62122.7 Ų122.743%0.43460%0.6SS.*Hα-helixtrans-58.8-42.6179.3-155.60000111.7R10 R11 H12S8-R10 PolarHBondContact O-N 2.97Å; S8-R11 PolarHBondContact O-N 3.2Å; S8-H12 PolarHBondContact O-CD2 3.47Å; S8-H12 PolarHBondContact O-N 3.44Å
9S91.7Very high86.3Confident92 Ų92122.7 Ų122.764%0.64360%0.602SS**Hα-helixtrans-54.6-49.3176.9179.40000112T7 R11 H12 Q13T7-S9 VanDerWaalsContact C-N 3.28Å; T7-S9 PolarHBondContact O-N 3.36Å; S9-R11 PolarHBondContact O-N 3.19Å; S9-H12 PolarHBondContact O-N 3.36Å; S9-Q13 PolarHBondContact O-N 3.38Å
10R93Very high86.8Confident106 Ų106121.8 Ų121.840%0.460%0.596SS.*Hα-helixtrans-64-39.9178.6-177.859177.5173.5-0.6112.4M6 T7 S8 Q13 L14M6-R10 HydrophobicContact CG-CB 3.82Å; M6-R10 HydrophobicContact CG-CG 3.8Å; M6-R10 HydrophobicContact SD-CB 4.16Å; M6-R10 HydrophobicContact SD-CG 3.45Å; M6-R10 WeakPolarHBondContact SD-CG 3.45Å; T7-R10 PolarHBondContact O-N 3.21Å; T7-R10 WeakPolarHBondContact OG1-CB 3.47Å; T7-R10 PolarHBondContact OG1-N 2.93Å; S8-R10 PolarHBondContact O-N 2.97Å; R10-Q13 PolarHBondContact O-N 3.32Å; R10-L14 HydrophobicContact CG-CD1 4.19Å; R10-L14 WeakPolarHBondContact O-CG 3.46Å; R10-L14 PolarHBondContact O-N 3.44Å
11R93.6Very high87.3Confident120 Ų120119.9 Ų119.945%0.45359%0.588SS.*Hα-helixtrans-62.4-42.7175.3-74.2-173-62.3-162.51.4112.3M6 T7 S8 S9 L14 K15M6-R11 HydrophobicContact CB-CG 4.28Å; M6-R11 HydrophobicContact CE-CG 3.79Å; M6-R11 HydrophobicContact CG-CG 4.07Å; T7-R11 PolarHBondContact O-N 3.04Å; T7-R11 VanDerWaalsContact O-N 3.13Å; S8-R11 PolarHBondContact O-N 3.2Å; S9-R11 PolarHBondContact O-N 3.19Å; R11-L14 PolarHBondContact O-N 3.36Å; R11-K15 WeakPolarHBondContact O-CG 3.21Å; R11-K15 PolarHBondContact O-N 3.08Å
12H94.7Very high89.9Confident117 Ų117109.1 Ų109.154%0.54255%0.548SS..Hα-helixtrans-66.6-41.9177.2-76.4-67.4000112.1S8 S9 L14 K15 S16S8-H12 PolarHBondContact O-CD2 3.47Å; S8-H12 PolarHBondContact O-N 3.44Å; S9-H12 PolarHBondContact O-N 3.36Å; H12-L14 VanDerWaalsContact C-N 3.33Å; H12-L14 PolarHBondContact O-N 3.09Å; H12-K15 PolarHBondContact O-N 2.9Å; H12-S16 WeakPolarHBondContact O-CB 3.36Å; H12-S16 PolarHBondContact O-N 3.23Å
13Q95.5Very high91.7Very high99 Ų99101.2 Ų101.246%0.46353%0.526SS..Hα-helixtrans-57.7-47.1174.1-172.9-172.810.600111.2S9 R10 S16 L17S9-Q13 PolarHBondContact O-N 3.38Å; R10-Q13 PolarHBondContact O-N 3.32Å; Q13-S16 WeakPolarHBondContact O-CB 3.39Å; Q13-S16 PolarHBondContact O-N 2.86Å; Q13-L17 HydrophobicContact CG-CD1 4.32Å; Q13-L17 WeakPolarHBondContact O-CG 3.46Å; Q13-L17 PolarHBondContact O-N 2.93Å
14L96.3Very high93.1Very high57 Ų57104.8 Ų104.830%0.29852%0.523SS..Hα-helixtrans-63.2-43.6177.9-71.6171.3000112.2M6 R10 R11 H12 S16 L17 M18M6-L14 HydrophobicContact CE-CD1 3.58Å; M6-L14 HydrophobicContact SD-CD1 4.01Å; R10-L14 HydrophobicContact CG-CD1 4.19Å; R10-L14 WeakPolarHBondContact O-CG 3.46Å; R10-L14 PolarHBondContact O-N 3.44Å; R11-L14 PolarHBondContact O-N 3.36Å; H12-L14 VanDerWaalsContact C-N 3.33Å; H12-L14 PolarHBondContact O-N 3.09Å; L14-S16 VanDerWaalsContact C-N 3.3Å; L14-S16 PolarHBondContact O-N 3.26Å; L14-L17 PolarHBondContact O-N 2.85Å; L14-M18 VanDerWaalsContact O-CG 3.3Å; L14-M18 WeakPolarHBondContact O-CG 3.35Å; L14-M18 PolarHBondContact O-N 3.36Å
15K96.2Very high94.2Very high134 Ų134102.6 Ų102.658%0.58351%0.509SS*.Hα-helixtrans-58.6-42.7174.1-74.5179.5178-170.90112R11 H12 M18 L19R11-K15 WeakPolarHBondContact O-CG 3.21Å; R11-K15 PolarHBondContact O-N 3.08Å; H12-K15 PolarHBondContact O-N 2.9Å; K15-M18 PolarHBondContact O-N 3.25Å; K15-L19 WeakPolarHBondContact O-CG 3.42Å; K15-L19 PolarHBondContact O-N 3.19Å
16S95.9Very high94.9Very high62 Ų6298.9 Ų98.943%0.43450%0.497SS..Hα-helixtrans-62-46.6176.8-170.10000111.5H12 Q13 L14 M18 L19 Q20H12-S16 WeakPolarHBondContact O-CB 3.36Å; H12-S16 PolarHBondContact O-N 3.23Å; Q13-S16 WeakPolarHBondContact O-CB 3.39Å; Q13-S16 PolarHBondContact O-N 2.86Å; L14-S16 VanDerWaalsContact C-N 3.3Å; L14-S16 PolarHBondContact O-N 3.26Å; S16-M18 VanDerWaalsContact C-N 3.35Å; S16-M18 PolarHBondContact O-N 3Å; S16-L19 PolarHBondContact O-N 3.36Å; S16-Q20 WeakPolarHBondContact O-CG 3.39Å; S16-Q20 PolarHBondContact O-N 3.2Å
17L97Very high95.4Very high70 Ų7099.8 Ų99.837%0.36650%0.5SS..Hα-helixtrans-61.1-42.5176.6-70.8171000111.9Q13 L14 L19 Q20 I21Q13-L17 HydrophobicContact CG-CD1 4.32Å; Q13-L17 WeakPolarHBondContact O-CG 3.46Å; Q13-L17 PolarHBondContact O-N 2.93Å; L14-L17 PolarHBondContact O-N 2.85Å; L17-L19 VanDerWaalsContact C-N 3.35Å; L17-L19 PolarHBondContact O-N 3.21Å; L17-Q20 PolarHBondContact O-N 3.48Å; L17-I21 WeakPolarHBondContact O-CG1 3.49Å; L17-I21 PolarHBondContact O-N 3.35Å
18M97Very high95.7Very high135 Ų135101.4 Ų101.467%0.66550%0.501SS*.Hα-helixtrans-60.6-44.5176-72179.675.200111.6L14 K15 S16 I21 A22L14-M18 VanDerWaalsContact O-CG 3.3Å; L14-M18 WeakPolarHBondContact O-CG 3.35Å; L14-M18 PolarHBondContact O-N 3.36Å; K15-M18 PolarHBondContact O-N 3.25Å; S16-M18 VanDerWaalsContact C-N 3.35Å; S16-M18 PolarHBondContact O-N 3Å; M18-I21 PolarHBondContact O-N 2.87Å; M18-A22 WeakPolarHBondContact O-CB 3.36Å; M18-A22 PolarHBondContact O-N 3.46Å
19L96.9Very high96Very high123 Ų123103.7 Ų103.764%0.64451%0.505SS*.Hα-helixtrans-64.3-41.5176.7-70.1173.2000111.8K15 S16 L17 I21 A22 T23K15-L19 WeakPolarHBondContact O-CG 3.42Å; K15-L19 PolarHBondContact O-N 3.19Å; S16-L19 PolarHBondContact O-N 3.36Å; L17-L19 VanDerWaalsContact C-N 3.35Å; L17-L19 PolarHBondContact O-N 3.21Å; L19-I21 VanDerWaalsContact C-N 3.32Å; L19-I21 PolarHBondContact O-N 3.17Å; L19-A22 PolarHBondContact O-N 3.06Å; L19-T23 WeakPolarHBondContact O-CG2 3.32Å; L19-T23 PolarHBondContact O-N 3.31Å; L19-T23 PolarHBondContact O-OG1 3.26Å
20Q95.9Very high96.2Very high104 Ų104106.4 Ų106.449%0.48651%0.505SS..Hα-helixtrans-62.6-36.9176.3-74.3177.5-19.300113.1S16 L17 T23 K24S16-Q20 WeakPolarHBondContact O-CG 3.39Å; S16-Q20 PolarHBondContact O-N 3.2Å; L17-Q20 PolarHBondContact O-N 3.48Å; Q20-T23 WeakPolarHBondContact CA-OG1 3.42Å; Q20-T23 PolarHBondContact O-OG1 3.04Å; Q20-K24 WeakPolarHBondContact O-CG 3.17Å; Q20-K24 PolarHBondContact O-N 3.47Å
21I97.1Very high96.4Very high82 Ų82108.6 Ų108.642%0.42152%0.517SS..Hα-helixtrans-71-46175-66.9165.7000109.7L17 M18 L19 T23 K24 W25L17-I21 WeakPolarHBondContact O-CG1 3.49Å; L17-I21 PolarHBondContact O-N 3.35Å; M18-I21 PolarHBondContact O-N 2.87Å; L19-I21 VanDerWaalsContact C-N 3.32Å; L19-I21 PolarHBondContact O-N 3.17Å; I21-T23 VanDerWaalsContact C-N 3.3Å; I21-T23 PolarHBondContact O-N 3.01Å; I21-K24 WeakPolarHBondContact O-CB 3.29Å; I21-K24 PolarHBondContact O-N 3.34Å; I21-W25 HydrophobicContact CG2-CD2 3.86Å; I21-W25 VanDerWaalsContact CG2-CE2 3.45Å; I21-W25 HydrophobicContact CG2-CE3 4.28Å; I21-W25 HydrophobicContact CG2-CG 4.48Å; I21-W25 HydrophobicContact CG2-CH2 4Å; I21-W25 HydrophobicContact CG2-CZ2 3.53Å; I21-W25 HydrophobicContact CG2-CZ3 4.35Å; I21-W25 PolarHBondContact O-N 2.98Å
22A97.3Very high96.6Very high41 Ų41106.5 Ų106.534%0.33952%0.521SS..Hα-helixtrans-58.8-40.4178.300000112.3M18 L19 K24 W25 L26M18-A22 WeakPolarHBondContact O-CB 3.36Å; M18-A22 PolarHBondContact O-N 3.46Å; L19-A22 PolarHBondContact O-N 3.06Å; A22-K24 VanDerWaalsContact C-N 3.33Å; A22-K24 PolarHBondContact O-N 3.18Å; A22-W25 PolarHBondContact O-N 3.12Å; A22-L26 WeakPolarHBondContact O-CG 3.35Å; A22-L26 PolarHBondContact O-N 3.3Å
23T96.2Very high96.7Very high72 Ų72105.9 Ų105.944%0.44252%0.521SS..Hα-helixtrans-62.8-39.8175.249.20000112.2L19 Q20 I21 L26 E27L19-T23 WeakPolarHBondContact O-CG2 3.32Å; L19-T23 PolarHBondContact O-N 3.31Å; L19-T23 PolarHBondContact O-OG1 3.26Å; Q20-T23 WeakPolarHBondContact CA-OG1 3.42Å; Q20-T23 PolarHBondContact O-OG1 3.04Å; I21-T23 VanDerWaalsContact C-N 3.3Å; I21-T23 PolarHBondContact O-N 3.01Å; T23-L26 PolarHBondContact O-N 2.86Å; T23-E27 WeakPolarHBondContact O-CG 3.14Å; T23-E27 PolarHBondContact O-N 2.84Å; T23-E27 VanDerWaalsContact O-N 3.09Å
24K97Very high96.7Very high142 Ų142103.9 Ų103.962%0.61752%0.521SS*.Hα-helixtrans-64.4-43.6176.5-72.2176.2179.8-173.80111.6Q20 I21 A22 L26 E27 E28Q20-K24 WeakPolarHBondContact O-CG 3.17Å; Q20-K24 PolarHBondContact O-N 3.47Å; I21-K24 WeakPolarHBondContact O-CB 3.29Å; I21-K24 PolarHBondContact O-N 3.34Å; A22-K24 VanDerWaalsContact C-N 3.33Å; A22-K24 PolarHBondContact O-N 3.18Å; K24-L26 VanDerWaalsContact C-N 3.34Å; K24-L26 PolarHBondContact O-N 3.46Å; K24-E27 PolarHBondContact O-N 2.97Å; K24-E28 PolarHBondContact O-N 3.27Å
25W97.5Very high96.7Very high173 Ų173103.9 Ų103.966%0.65553%0.529SS*.Hα-helixtrans-63.6-39.4177-66.6-17.8000112.3I21 A22 E27 E28 E29I21-W25 HydrophobicContact CG2-CD2 3.86Å; I21-W25 VanDerWaalsContact CG2-CE2 3.45Å; I21-W25 HydrophobicContact CG2-CE3 4.28Å; I21-W25 HydrophobicContact CG2-CG 4.48Å; I21-W25 HydrophobicContact CG2-CH2 4Å; I21-W25 HydrophobicContact CG2-CZ2 3.53Å; I21-W25 HydrophobicContact CG2-CZ3 4.35Å; I21-W25 PolarHBondContact O-N 2.98Å; A22-W25 PolarHBondContact O-N 3.12Å; W25-E27 VanDerWaalsContact C-N 3.31Å; W25-E27 PolarHBondContact O-N 2.81Å; W25-E28 PolarHBondContact O-N 2.89Å; W25-E29 VanDerWaalsContact O-CB 3.29Å; W25-E29 WeakPolarHBondContact O-CB 3.44Å; W25-E29 PolarHBondContact O-N 3Å
26L96.9Very high96.7Very high94 Ų94100.3 Ų100.349%0.49253%0.525SS..Hα-helixtrans-63.7-35.4174.4-74173.4000112.7A22 T23 K24 K30A22-L26 WeakPolarHBondContact O-CG 3.35Å; A22-L26 PolarHBondContact O-N 3.3Å; T23-L26 PolarHBondContact O-N 2.86Å; K24-L26 VanDerWaalsContact C-N 3.34Å; K24-L26 PolarHBondContact O-N 3.46Å; L26-K30 VanDerWaalsContact O-CG 3.23Å; L26-K30 WeakPolarHBondContact O-CG 3.32Å; L26-K30 PolarHBondContact O-N 3.35Å; L26-K30 VanDerWaalsContact O-N 3.13Å
27E96.1Very high96.7Very high116 Ų116104 Ų10454%0.54253%0.533SS..Hα-helixtrans-70.4-40174.9-73173.5-173.200112.2T23 K24 W25 K31T23-E27 WeakPolarHBondContact O-CG 3.14Å; T23-E27 PolarHBondContact O-N 2.84Å; T23-E27 VanDerWaalsContact O-N 3.09Å; K24-E27 PolarHBondContact O-N 2.97Å; W25-E27 VanDerWaalsContact C-N 3.31Å; W25-E27 PolarHBondContact O-N 2.81Å; E27-K31 WeakPolarHBondContact O-CG 3.48Å; E27-K31 PolarHBondContact O-N 3.46Å
28E97.3Very high96.6Very high129 Ų129107.6 Ų107.660%0.60355%0.548SS*.Hα-helixtrans-65.8-45.1176-175.7170.7-162.300111.7K24 W25 K30 K31 S32K24-E28 PolarHBondContact O-N 3.27Å; W25-E28 PolarHBondContact O-N 2.89Å; E28-K30 VanDerWaalsContact C-N 3.34Å; E28-K30 PolarHBondContact O-N 2.83Å; E28-K31 WeakPolarHBondContact O-CB 3.35Å; E28-K31 PolarHBondContact O-N 3.28Å; E28-K31 VanDerWaalsContact O-N 3.14Å; E28-S32 PolarHBondContact O-N 3.26Å
29E96.7Very high96.5Very high109 Ų109104.1 Ų104.151%0.50954%0.541SS..Hα-helixtrans-58.7-44.9175.1-178.2177.9-145.300111.2W25 K31 S32 I33W25-E29 VanDerWaalsContact O-CB 3.29Å; W25-E29 WeakPolarHBondContact O-CB 3.44Å; W25-E29 PolarHBondContact O-N 3Å; E29-K31 VanDerWaalsContact C-N 3.3Å; E29-K31 PolarHBondContact O-N 2.82Å; E29-S32 PolarHBondContact O-N 2.85Å; E29-I33 HydrophobicContact CG-CD1 3.81Å; E29-I33 HydrophobicContact CG-CG1 4.36Å; E29-I33 WeakPolarHBondContact O-CB 3.4Å; E29-I33 VanDerWaalsContact O-CG1 3.31Å; E29-I33 WeakPolarHBondContact O-CG1 3.46Å; E29-I33 PolarHBondContact O-N 2.61Å
30K96.8Very high96.4Very high150 Ų150105 Ų10565%0.65254%0.537SS*.Hα-helixtrans-57.8-41.8175.1-77.6172.9-177.5-1780112.7L26 E28 A34L26-K30 VanDerWaalsContact O-CG 3.23Å; L26-K30 WeakPolarHBondContact O-CG 3.32Å; L26-K30 PolarHBondContact O-N 3.35Å; L26-K30 VanDerWaalsContact O-N 3.13Å; E28-K30 VanDerWaalsContact C-N 3.34Å; E28-K30 PolarHBondContact O-N 2.83Å; K30-A34 WeakPolarHBondContact O-CB 3.46Å; K30-A34 PolarHBondContact O-N 2.96Å
31K96.8Very high96.3Very high151 Ų151104.1 Ų104.166%0.65754%0.535SS*.Hα-helixtrans-66.3-43.6176.6-69.7172.2-175.9176.50111.2E27 E28 E29 A34 A35E27-K31 WeakPolarHBondContact O-CG 3.48Å; E27-K31 PolarHBondContact O-N 3.46Å; E28-K31 WeakPolarHBondContact O-CB 3.35Å; E28-K31 PolarHBondContact O-N 3.28Å; E28-K31 VanDerWaalsContact O-N 3.14Å; E29-K31 VanDerWaalsContact C-N 3.3Å; E29-K31 PolarHBondContact O-N 2.82Å; K31-A34 PolarHBondContact O-N 3.47Å; K31-A35 WeakPolarHBondContact O-CB 3.36Å; K31-A35 PolarHBondContact O-N 3.28Å
32S96.8Very high96.1Very high77 Ų77103.4 Ų103.454%0.53854%0.541SS..Hα-helixtrans-62.1-44.3177.6-179.10000111.8E28 E29 A34 A35 A36E28-S32 PolarHBondContact O-N 3.26Å; E29-S32 PolarHBondContact O-N 2.85Å; S32-A34 PolarHBondContact O-N 2.9Å; S32-A35 PolarHBondContact O-N 3.46Å; S32-A36 VanDerWaalsContact O-CB 3.32Å; S32-A36 WeakPolarHBondContact O-CB 3.3Å; S32-A36 PolarHBondContact O-N 3.47Å
33I96.8Very high95.9Very high103 Ų103108.9 Ų108.953%0.52856%0.56SS.*Hα-helixtrans-61.8-43.2175.9-69.7169.5000111E29 A36 K37E29-I33 HydrophobicContact CG-CD1 3.81Å; E29-I33 HydrophobicContact CG-CG1 4.36Å; E29-I33 WeakPolarHBondContact O-CB 3.4Å; E29-I33 VanDerWaalsContact O-CG1 3.31Å; E29-I33 WeakPolarHBondContact O-CG1 3.46Å; E29-I33 PolarHBondContact O-N 2.61Å; I33-A36 PolarHBondContact O-N 2.9Å; I33-K37 WeakPolarHBondContact O-CB 3.24Å; I33-K37 PolarHBondContact O-N 3.44Å
34A96.4Very high95.6Very high58 Ų58109.7 Ų109.748%0.47956%0.561SS.*Hα-helixtrans-62.9-45.3177.300000111.8K30 K31 S32 K37 E38K30-A34 WeakPolarHBondContact O-CB 3.46Å; K30-A34 PolarHBondContact O-N 2.96Å; K31-A34 PolarHBondContact O-N 3.47Å; S32-A34 PolarHBondContact O-N 2.9Å; A34-K37 WeakPolarHBondContact O-CB 3.21Å; A34-K37 PolarHBondContact O-N 3.09Å; A34-E38 PolarHBondContact O-N 3.45Å
35A96.6Very high95.2Very high56 Ų56107.5 Ų107.546%0.46356%0.563SS.*Hα-helixtrans-64.3-4217700000112.1K31 S32 K37 E38 A39K31-A35 WeakPolarHBondContact O-CB 3.36Å; K31-A35 PolarHBondContact O-N 3.28Å; S32-A35 PolarHBondContact O-N 3.46Å; A35-K37 VanDerWaalsContact C-N 3.32Å; A35-K37 PolarHBondContact O-N 3.27Å; A35-E38 PolarHBondContact O-N 3.05Å; A35-A39 WeakPolarHBondContact O-CB 3.39Å; A35-A39 PolarHBondContact O-N 3.27Å
36A96.4Very high94.6Very high59 Ų59103 Ų10349%0.48856%0.555SS.*Hα-helixtrans-63.3-38.9175.600000111.8S32 I33 Y40S32-A36 VanDerWaalsContact O-CB 3.32Å; S32-A36 WeakPolarHBondContact O-CB 3.3Å; S32-A36 PolarHBondContact O-N 3.47Å; I33-A36 PolarHBondContact O-N 2.9Å; A36-Y40 VanDerWaalsContact O-CB 3.31Å; A36-Y40 WeakPolarHBondContact O-CB 3.38Å; A36-Y40 PolarHBondContact O-N 3.16Å
37K95.4Very high94Very high140 Ų140104.2 Ų104.261%0.60957%0.569SS**Hα-helixtrans-63.5-44.3174.1-177.3-178.7178.7-178.10111.6I33 A34 A35 Y40 L41I33-K37 WeakPolarHBondContact O-CB 3.24Å; I33-K37 PolarHBondContact O-N 3.44Å; A34-K37 WeakPolarHBondContact O-CB 3.21Å; A34-K37 PolarHBondContact O-N 3.09Å; A35-K37 VanDerWaalsContact C-N 3.32Å; A35-K37 PolarHBondContact O-N 3.27Å; K37-Y40 PolarHBondContact O-N 3.3Å; K37-L41 HydrophobicContact CG-CD1 4.13Å; K37-L41 WeakPolarHBondContact O-CB 3.2Å; K37-L41 VanDerWaalsContact O-CG 3.31Å; K37-L41 WeakPolarHBondContact O-CG 3.37Å; K37-L41 PolarHBondContact O-N 2.82Å
38E94.2Very high93.4Very high146 Ų146101.9 Ų101.968%0.68256%0.564SS**Hα-helixtrans-64-45.4178.2-171.3174.8-170.400111.6A34 A35 Y40 L41 A42A34-E38 PolarHBondContact O-N 3.45Å; A35-E38 PolarHBondContact O-N 3.05Å; E38-Y40 PolarHBondContact O-N 3.34Å; E38-L41 PolarHBondContact O-N 3.07Å; E38-A42 WeakPolarHBondContact O-CB 3.36Å; E38-A42 PolarHBondContact O-N 3.16Å
39A95.4Very high92.4Very high62 Ų62100.5 Ų100.551%0.51256%0.561SS.*Hα-helixtrans-60.2-44.5175.200000112.2A35 L41 A42 E43A35-A39 WeakPolarHBondContact O-CB 3.39Å; A35-A39 PolarHBondContact O-N 3.27Å; A39-L41 PolarHBondContact O-N 2.87Å; A39-A42 PolarHBondContact O-N 2.8Å; A39-E43 PolarHBondContact O-N 2.97Å; A39-E43 VanDerWaalsContact O-N 3.16Å
40Y95.6Very high91.4Very high141 Ų141101.7 Ų101.755%0.55357%0.57SS**Hα-helixtrans-61.6-43.9176.8179.2-94.4000112A36 K37 E38 E43 N44A36-Y40 VanDerWaalsContact O-CB 3.31Å; A36-Y40 WeakPolarHBondContact O-CB 3.38Å; A36-Y40 PolarHBondContact O-N 3.16Å; K37-Y40 PolarHBondContact O-N 3.3Å; E38-Y40 PolarHBondContact O-N 3.34Å; Y40-E43 PolarHBondContact O-N 3.29Å; Y40-N44 VanDerWaalsContact CD2-ND2 3.31Å; Y40-N44 WeakPolarHBondContact CD2-ND2 3.35Å; Y40-N44 HydrophobicContact CE1-CB 4.29Å; Y40-N44 WeakPolarHBondContact CE2-ND2 3.31Å; Y40-N44 WeakPolarHBondContact O-CB 3.28Å; Y40-N44 PolarHBondContact O-N 3.39Å; Y40-N44 PolarHBondContact O-ND2 3.16Å
41L93.6Very high90.3Very high86 Ų8699 Ų9945%0.4557%0.57SS.*Hα-helixtrans-66.9-37.2177.9-72.6172.5000112.2K37 E38 A39 E43 C45K37-L41 HydrophobicContact CG-CD1 4.13Å; K37-L41 WeakPolarHBondContact O-CB 3.2Å; K37-L41 VanDerWaalsContact O-CG 3.31Å; K37-L41 WeakPolarHBondContact O-CG 3.37Å; K37-L41 PolarHBondContact O-N 2.82Å; E38-L41 PolarHBondContact O-N 3.07Å; A39-L41 PolarHBondContact O-N 2.87Å; L41-E43 VanDerWaalsContact C-N 3.3Å; L41-E43 PolarHBondContact O-N 3.49Å; L41-C45 CarbonylContact O-C 3.33Å; L41-C45 WeakPolarHBondContact O-CA 3.49Å; L41-C45 PolarHBondContact O-N 3.44Å
42A92.2Very high88.8Confident67 Ų6794.3 Ų94.355%0.55456%0.564SS**Hα-helixtrans-63.3-36.3176.900000112.4E38 A39E38-A42 WeakPolarHBondContact O-CB 3.36Å; E38-A42 PolarHBondContact O-N 3.16Å; A39-A42 PolarHBondContact O-N 2.8Å
43E92.8Very high87.2Confident156 Ų15696.7 Ų96.773%0.72957%0.571SS**Hα-helixtrans-77.5-44176.9-174.9-178.8179.400112.5A39 Y40 L41A39-E43 PolarHBondContact O-N 2.97Å; A39-E43 VanDerWaalsContact O-N 3.16Å; Y40-E43 PolarHBondContact O-N 3.29Å; L41-E43 VanDerWaalsContact C-N 3.3Å; L41-E43 PolarHBondContact O-N 3.49Å
44N90.4Very high85.5Confident89 Ų8998.5 Ų98.548%0.47658%0.581SS.*Hα-helixtrans-91.7-18.7-170.1-69.2-92.1000113.8Y40Y40-N44 VanDerWaalsContact CD2-ND2 3.31Å; Y40-N44 WeakPolarHBondContact CD2-ND2 3.35Å; Y40-N44 HydrophobicContact CE1-CB 4.29Å; Y40-N44 WeakPolarHBondContact CE2-ND2 3.31Å; Y40-N44 WeakPolarHBondContact O-CB 3.28Å; Y40-N44 PolarHBondContact O-N 3.39Å; Y40-N44 PolarHBondContact O-ND2 3.16Å
45C87.6Confident83.9Confident96 Ų96100.1 Ų100.165%0.64959%0.586SS**SBendtrans-142.362.6-179.9-171.10000110.6L41L41-C45 CarbonylContact O-C 3.33Å; L41-C45 WeakPolarHBondContact O-CA 3.49Å; L41-C45 PolarHBondContact O-N 3.44Å
46P86.3Confident82.8Confident77 Ų77100.1 Ų100.150%0.558%0.578SS.*PPolyproline II helixtrans-63.3154175.328.4-34.9000110.7
47P84.9Confident82Confident120 Ų12099.8 Ų99.878%0.77957%0.571SS**PPolyproline II helixtrans-57.6132.6174.9-20.431.5000110.4D49P47-D49 PolarHBondContact O-N 3.33Å
48P81.5Confident81.5Confident68 Ų6899.3 Ų99.344%0.44257%0.57SS.*PPolyproline II helixtrans-64.5136.6177.326-32.5000109.9L50 I60P48-L50 HydrophobicContact CB-CD2 4.48Å; P48-L50 PolarHBondContact O-N 2.99Å; P48-I60 HydrophobicContact CB-CG2 4.07Å
49D78.3Confident81.2Confident100 Ų10097.9 Ų97.954%0.53556%0.564SS.*  trans-75.2111.3173.7-175.87.6000109.5P47 S51 I60P47-D49 PolarHBondContact O-N 3.33Å; D49-S51 WeakPolarHBondContact OD1-CB 3.31Å; D49-S51 PolarHBondContact OD1-N 2.92Å; D49-S51 PolarHBondContact OD1-OG 3.46Å; D49-S51 PolarHBondContact OD2-OG 2.93Å; D49-I60 WeakPolarHBondContact O-CD1 3.48Å
50L75.1Confident80.8Confident134 Ų13496.1 Ų96.170%0.70255%0.545SS*.  trans-97.85.9178.8-56.9177.2000112.2P48 G52P48-L50 HydrophobicContact CB-CD2 4.48Å; P48-L50 PolarHBondContact O-N 2.99Å; L50-G52 PolarHBondContact O-N 3.34Å
51S73.3Confident80.5Confident93 Ų9392.7 Ų92.765%0.6554%0.542SS*.  trans-84.293.5178.467.80000110.6D49D49-S51 WeakPolarHBondContact OD1-CB 3.31Å; D49-S51 PolarHBondContact OD1-N 2.92Å; D49-S51 PolarHBondContact OD1-OG 3.46Å; D49-S51 PolarHBondContact OD2-OG 2.93Å
52G65.8Low80.3Confident52 Ų5295.7 Ų95.754%0.53655%0.551SS.*SBendtrans176.1172.1177.300000115.1L50L50-G52 PolarHBondContact O-N 3.34Å
53D63.4Low80.2Confident128 Ų12898.8 Ų98.868%0.68455%0.554SS**  trans-66.3162.3179-156.50.6000112.4T55 N56 P57D53-T55 PolarHBondContact O-N 3.4Å; D53-N56 WeakPolarHBondContact O-CB 3.31Å; D53-N56 PolarHBondContact O-N 3.39Å; D53-P57 WeakPolarHBondContact O-CD 3.44Å
54L60.8Low80.1Confident140 Ų14095.4 Ų95.473%0.73354%0.54SS*.THydrogen-bonded Turntrans-54.2-20.9-167.8-78.3162.9000116.5P57L54-P57 WeakPolarHBondContact O-CD 3.31Å; L54-P57 WeakPolarHBondContact O-CG 3.48Å
55T62.3Low80.2Confident93 Ų9397.2 Ų97.257%0.57155%0.546SS*.Hα-helixtrans-76.2-3317749.10000113D53 E59D53-T55 PolarHBondContact O-N 3.4Å; T55-E59 PolarHBondContact O-N 3.2Å
56N74.5Confident80.5Confident56 Ų5695 Ų9530%0.29953%0.534SS..Hα-helixtrans-60.3-48.8179.3-168.2-3.1000113.3D53 Q58 E59 I60D53-N56 WeakPolarHBondContact O-CB 3.31Å; D53-N56 PolarHBondContact O-N 3.39Å; N56-Q58 PolarHBondContact O-N 2.95Å; N56-E59 PolarHBondContact O-N 3.41Å; N56-I60 WeakPolarHBondContact O-CG1 3.33Å; N56-I60 PolarHBondContact O-N 3.45Å; N56-I60 VanDerWaalsContact O-N 3.17Å; N56-I60 VanDerWaalsContact OD1-CD1 3.29Å; N56-I60 WeakPolarHBondContact OD1-CD1 3.29Å
57P79.6Confident80.8Confident52 Ų5293.1 Ų93.134%0.33853%0.525SS..Hα-helixtrans-67.3-29.8-178.623.2-32.7000114.3D53 L54 C61D53-P57 WeakPolarHBondContact O-CD 3.44Å; L54-P57 WeakPolarHBondContact O-CD 3.31Å; L54-P57 WeakPolarHBondContact O-CG 3.48Å; P57-C61 PolarHBondContact O-N 2.87Å; P57-C61 PolarHBondContact O-SG 2.89Å
58Q85.1Confident81.3Confident129 Ų12992 Ų9260%0.60351%0.512SS*.Hα-helixtrans-70.6-37.5178.2-68.2-175.8-5.900112.4N56 K62N56-Q58 PolarHBondContact O-N 2.95Å; Q58-K62 WeakPolarHBondContact O-CG 3.22Å; Q58-K62 PolarHBondContact O-N 2.91Å
59E86.3Confident82Confident116 Ų11694.3 Ų94.354%0.54252%0.52SS..Hα-helixtrans-68.2-42.7175.6-69.9-177.7176.500111.2T55 N56 C61 K62 Q63T55-E59 PolarHBondContact O-N 3.2Å; N56-E59 PolarHBondContact O-N 3.41Å; E59-C61 VanDerWaalsContact C-N 3.35Å; E59-C61 PolarHBondContact O-N 2.85Å; E59-K62 PolarHBondContact O-N 3.2Å; E59-Q63 WeakPolarHBondContact O-CG 3.36Å; E59-Q63 PolarHBondContact O-N 3.44Å
60I86.8Confident82.8Confident25 Ų2596.6 Ų96.613%0.12853%0.525CS..Hα-helixtrans-57.4-46.8173.7-67.1169000110.8P48 D49 N56 K62 Q63 L64P48-I60 HydrophobicContact CB-CG2 4.07Å; D49-I60 WeakPolarHBondContact O-CD1 3.48Å; N56-I60 WeakPolarHBondContact O-CG1 3.33Å; N56-I60 PolarHBondContact O-N 3.45Å; N56-I60 VanDerWaalsContact O-N 3.17Å; N56-I60 VanDerWaalsContact OD1-CD1 3.29Å; N56-I60 WeakPolarHBondContact OD1-CD1 3.29Å; I60-K62 VanDerWaalsContact C-N 3.33Å; I60-K62 PolarHBondContact O-N 2.91Å; I60-Q63 PolarHBondContact O-N 3.43Å; I60-L64 HydrophobicContact CG2-CD1 3.84Å; I60-L64 HydrophobicContact CG2-CG 4.22Å; I60-L64 WeakPolarHBondContact O-CB 3.4Å; I60-L64 WeakPolarHBondContact O-CG 3.23Å; I60-L64 PolarHBondContact O-N 2.84Å
61C89.4Confident83.8Confident70 Ų7095.7 Ų95.747%0.47352%0.52SS..Hα-helixtrans-58.8-42.4177.6-74.10000112.5P57 E59 L64 H65P57-C61 PolarHBondContact O-N 2.87Å; P57-C61 PolarHBondContact O-SG 2.89Å; E59-C61 VanDerWaalsContact C-N 3.35Å; E59-C61 PolarHBondContact O-N 2.85Å; C61-L64 PolarHBondContact O-N 2.92Å; C61-H65 PolarHBondContact O-CD2 3.44Å; C61-H65 PolarHBondContact O-N 3.29Å
62K90.9Very high84.9Confident149 Ų14995 Ų9565%0.64851%0.509SS*.Hα-helixtrans-65.1-41.1177-71173.5-176.8171.60112Q58 E59 I60 H65 A66Q58-K62 WeakPolarHBondContact O-CG 3.22Å; Q58-K62 PolarHBondContact O-N 2.91Å; E59-K62 PolarHBondContact O-N 3.2Å; I60-K62 VanDerWaalsContact C-N 3.33Å; I60-K62 PolarHBondContact O-N 2.91Å; K62-H65 PolarHBondContact O-N 3.29Å; K62-A66 PolarHBondContact O-N 3.47Å; K62-A66 VanDerWaalsContact O-N 3.11Å
63Q89.2Confident86.4Confident131 Ų13198.8 Ų98.861%0.61251%0.513SS*.Hα-helixtrans-64.7-44.2177-70.3175.714.200111.6E59 I60 A66 A67E59-Q63 WeakPolarHBondContact O-CG 3.36Å; E59-Q63 PolarHBondContact O-N 3.44Å; I60-Q63 PolarHBondContact O-N 3.43Å; Q63-A66 PolarHBondContact O-N 2.9Å; Q63-A67 WeakPolarHBondContact O-CB 3.37Å; Q63-A67 PolarHBondContact O-N 3.38Å
64L90.5Very high87.9Confident85 Ų8595.6 Ų95.645%0.44550%0.504SS..Hα-helixtrans-61.4-44.5176.3-72.3173.9000111.6I60 C61 A66 A67 I68I60-L64 HydrophobicContact CG2-CD1 3.84Å; I60-L64 HydrophobicContact CG2-CG 4.22Å; I60-L64 WeakPolarHBondContact O-CB 3.4Å; I60-L64 WeakPolarHBondContact O-CG 3.23Å; I60-L64 PolarHBondContact O-N 2.84Å; C61-L64 PolarHBondContact O-N 2.92Å; L64-A66 PolarHBondContact O-N 3.13Å; L64-A67 PolarHBondContact O-N 2.92Å; L64-I68 VanDerWaalsContact O-CG1 3.24Å; L64-I68 WeakPolarHBondContact O-CG1 3.32Å; L64-I68 PolarHBondContact O-N 3.49Å
65H93.4Very high89.7Confident128 Ų12894.8 Ų94.859%0.59349%0.491SS*.Hα-helixtrans-58.7-48175.9-87.8-67.3000112.3C61 K62 A67 I68 D69C61-H65 PolarHBondContact O-CD2 3.44Å; C61-H65 PolarHBondContact O-N 3.29Å; K62-H65 PolarHBondContact O-N 3.29Å; H65-A67 VanDerWaalsContact C-N 3.28Å; H65-A67 PolarHBondContact O-N 3.17Å; H65-I68 PolarHBondContact O-N 2.9Å; H65-D69 PolarHBondContact O-N 3.06Å
66A94.1Very high91.3Very high48 Ų4897.7 Ų97.740%0.39749%0.493SS..Hα-helixtrans-65.3-31.1177.600000113K62 Q63 L64 K70K62-A66 PolarHBondContact O-N 3.47Å; K62-A66 VanDerWaalsContact O-N 3.11Å; Q63-A66 PolarHBondContact O-N 2.9Å; L64-A66 PolarHBondContact O-N 3.13Å; A66-K70 WeakPolarHBondContact O-CG 3.16Å
67A92.4Very high92.4Very high38 Ų3899 Ų9931%0.31450%0.5SS..Hα-helixtrans-71.6-40.5174.800000111.8Q63 L64 H65 D69 K70 I71Q63-A67 WeakPolarHBondContact O-CB 3.37Å; Q63-A67 PolarHBondContact O-N 3.38Å; L64-A67 PolarHBondContact O-N 2.92Å; H65-A67 VanDerWaalsContact C-N 3.28Å; H65-A67 PolarHBondContact O-N 3.17Å; A67-D69 VanDerWaalsContact C-N 3.34Å; A67-D69 PolarHBondContact O-N 3.29Å; A67-K70 PolarHBondContact O-N 3.33Å; A67-I71 HydrophobicContact CB-CD1 4.45Å; A67-I71 WeakPolarHBondContact O-CB 3.49Å; A67-I71 WeakPolarHBondContact O-CG1 3.44Å; A67-I71 PolarHBondContact O-N 3.46Å
68I94.8Very high93.2Very high98 Ų9898.9 Ų98.950%0.50350%0.503SS..Hα-helixtrans-57.1-48.3177.4-72.7162.9000110.6L64 H65 K70 I71 D72L64-I68 VanDerWaalsContact O-CG1 3.24Å; L64-I68 WeakPolarHBondContact O-CG1 3.32Å; L64-I68 PolarHBondContact O-N 3.49Å; H65-I68 PolarHBondContact O-N 2.9Å; I68-K70 VanDerWaalsContact C-N 3.34Å; I68-K70 PolarHBondContact O-N 2.91Å; I68-I71 PolarHBondContact O-N 2.83Å; I68-D72 WeakPolarHBondContact O-CB 3.32Å; I68-D72 PolarHBondContact O-N 3Å
69D95.9Very high93.8Very high115 Ų11596.7 Ų96.762%0.61549%0.493SS*.Hα-helixtrans-58.4-46.1-179-68-19.9000111.6H65 A67 E73H65-D69 PolarHBondContact O-N 3.06Å; A67-D69 VanDerWaalsContact C-N 3.34Å; A67-D69 PolarHBondContact O-N 3.29Å; D69-E73 PolarHBondContact O-N 3.34Å; D69-E73 VanDerWaalsContact O-N 3.09Å
70K95.3Very high94.3Very high148 Ų14892.6 Ų92.664%0.64348%0.479SS*.Hα-helixtrans-66.2-41.1178.2-67.5175.9-176.6177.20112.7A66 A67 I68 A74A66-K70 WeakPolarHBondContact O-CG 3.16Å; A67-K70 PolarHBondContact O-N 3.33Å; I68-K70 VanDerWaalsContact C-N 3.34Å; I68-K70 PolarHBondContact O-N 2.91Å; K70-A74 PolarHBondContact O-N 3.47Å; K70-A74 VanDerWaalsContact O-N 3.08Å
71I95.9Very high94.9Very high115 Ų11598.5 Ų98.559%0.5950%0.504SS*.Hα-helixtrans-68.7-40.6-179.3-70.2167.6000110.1A67 I68 A74 R75A67-I71 HydrophobicContact CB-CD1 4.45Å; A67-I71 WeakPolarHBondContact O-CB 3.49Å; A67-I71 WeakPolarHBondContact O-CG1 3.44Å; A67-I71 PolarHBondContact O-N 3.46Å; I68-I71 PolarHBondContact O-N 2.83Å; I71-A74 PolarHBondContact O-N 3.33Å; I71-R75 VanDerWaalsContact O-CB 3.3Å; I71-R75 WeakPolarHBondContact O-CB 3.29Å; I71-R75 PolarHBondContact O-N 2.88Å
72D97Very high95.3Very high79 Ų7999.1 Ų99.142%0.42251%0.505SS..Hα-helixtrans-68.8-37.1179.1-164.556.3000111.8I68 R75 Y76I68-D72 WeakPolarHBondContact O-CB 3.32Å; I68-D72 PolarHBondContact O-N 3Å; D72-R75 WeakPolarHBondContact O-CB 3.43Å; D72-R75 PolarHBondContact O-N 3.05Å; D72-R75 IonicContact OD1-CZ 3.88Å; D72-R75 IonicContact OD1-NE 2.81Å; D72-R75 PolarHBondContact OD1-NE 2.75Å; D72-R75 IonicContact OD1-NH2 2.97Å; D72-R75 PolarHBondContact OD1-NH2 3.25Å; D72-Y76 WeakPolarHBondContact O-CB 3.48Å; D72-Y76 PolarHBondContact O-N 2.83Å
73E96.6Very high95.6Very high132 Ų13296.4 Ų96.462%0.61750%0.495SS*.Hα-helixtrans-58.7-50.1170.4-174.2179.4-175.400111.4D69 R75 Y76 D77D69-E73 PolarHBondContact O-N 3.34Å; D69-E73 VanDerWaalsContact O-N 3.09Å; E73-R75 VanDerWaalsContact C-N 3.3Å; E73-R75 PolarHBondContact O-N 3.17Å; E73-Y76 WeakPolarHBondContact O-CB 3.49Å; E73-Y76 PolarHBondContact O-N 2.97Å; E73-D77 PolarHBondContact O-N 3.32Å
74A95.9Very high96Very high61 Ų6197.5 Ų97.550%0.50450%0.498SS..Hα-helixtrans-62.2-36.8176.900000112.6K70 I71 A78K70-A74 PolarHBondContact O-N 3.47Å; K70-A74 VanDerWaalsContact O-N 3.08Å; I71-A74 PolarHBondContact O-N 3.33Å; A74-A78 WeakPolarHBondContact O-CB 3.46Å; A74-A78 PolarHBondContact O-N 3.09Å
75R97.5Very high96.3Very high122 Ų12295.5 Ų95.546%0.4649%0.493SS..Hα-helixtrans-64.3-43.7175.3-172.6-165.567.771.14.4110.7I71 D72 E73 A78 E79I71-R75 VanDerWaalsContact O-CB 3.3Å; I71-R75 WeakPolarHBondContact O-CB 3.29Å; I71-R75 PolarHBondContact O-N 2.88Å; D72-R75 WeakPolarHBondContact O-CB 3.43Å; D72-R75 PolarHBondContact O-N 3.05Å; D72-R75 IonicContact OD1-CZ 3.88Å; D72-R75 IonicContact OD1-NE 2.81Å; D72-R75 PolarHBondContact OD1-NE 2.75Å; D72-R75 IonicContact OD1-NH2 2.97Å; D72-R75 PolarHBondContact OD1-NH2 3.25Å; E73-R75 VanDerWaalsContact C-N 3.3Å; E73-R75 PolarHBondContact O-N 3.17Å; R75-A78 PolarHBondContact O-N 2.95Å; R75-E79 IonicContact CZ-OE2 2.8Å; R75-E79 IonicContact NH1-OE2 2.77Å; R75-E79 PolarHBondContact NH1-OE2 2.97Å; R75-E79 WeakPolarHBondContact O-CB 3.31Å; R75-E79 PolarHBondContact O-N 3.39Å
76Y97.1Very high96.6Very high154 Ų15493.2 Ų93.260%0.60449%0.485SS*.Hα-helixtrans-61-47177.8-177.5-93000111.4D72 E73 A78 E79 A80D72-Y76 WeakPolarHBondContact O-CB 3.48Å; D72-Y76 PolarHBondContact O-N 2.83Å; E73-Y76 WeakPolarHBondContact O-CB 3.49Å; E73-Y76 PolarHBondContact O-N 2.97Å; Y76-A78 PolarHBondContact O-N 3.42Å; Y76-E79 PolarHBondContact O-N 3.49Å; Y76-A80 WeakPolarHBondContact O-CB 3.41Å; Y76-A80 PolarHBondContact O-N 3.29Å
77D97.3Very high96.7Very high83 Ų8397.2 Ų97.244%0.44449%0.494SS..Hα-helixtrans-63.3-40.4176.6-84.9-11.8000112.8E73 K81E73-D77 PolarHBondContact O-N 3.32Å; D77-K81 WeakPolarHBondContact O-CG 3.23Å; D77-K81 PolarHBondContact O-N 3.18Å; D77-K81 VanDerWaalsContact O-N 3.12Å
78A96.3Very high97Very high50 Ų50101.3 Ų101.341%0.41351%0.507SS..Hα-helixtrans-63.7-45.9175.300000111.1A74 R75 Y76 A80 K81 V82A74-A78 WeakPolarHBondContact O-CB 3.46Å; A74-A78 PolarHBondContact O-N 3.09Å; R75-A78 PolarHBondContact O-N 2.95Å; Y76-A78 PolarHBondContact O-N 3.42Å; A78-A80 PolarHBondContact O-N 3.21Å; A78-K81 WeakPolarHBondContact O-CB 3.39Å; A78-K81 PolarHBondContact O-N 3.14Å; A78-V82 WeakPolarHBondContact O-CG2 3.47Å; A78-V82 PolarHBondContact O-N 3.13Å
79E97Very high97.1Very high83 Ų83100.4 Ų100.439%0.38850%0.502SS..Hα-helixtrans-60.3-44.6177.1-175.1176.1179.400111.3R75 Y76 K81 V82 Q83R75-E79 IonicContact CZ-OE2 2.8Å; R75-E79 IonicContact NH1-OE2 2.77Å; R75-E79 PolarHBondContact NH1-OE2 2.97Å; R75-E79 WeakPolarHBondContact O-CB 3.31Å; R75-E79 PolarHBondContact O-N 3.39Å; Y76-E79 PolarHBondContact O-N 3.49Å; E79-K81 VanDerWaalsContact C-N 3.27Å; E79-K81 PolarHBondContact O-N 3.43Å; E79-V82 PolarHBondContact O-N 2.72Å; E79-V82 VanDerWaalsContact O-N 3.16Å; E79-Q83 HydrophobicContact CG-CG 4.45Å; E79-Q83 WeakPolarHBondContact O-CG 3.4Å; E79-Q83 PolarHBondContact O-N 3.35Å; E79-Q83 PolarHBondContact OE1-NE2 2.9Å
80A97.7Very high97.1Very high30 Ų30100.8 Ų100.825%0.24850%0.5CS..Hα-helixtrans-60.4-36.1176.600000112.6Y76 A78 K84Y76-A80 WeakPolarHBondContact O-CB 3.41Å; Y76-A80 PolarHBondContact O-N 3.29Å; A78-A80 PolarHBondContact O-N 3.21Å; A80-K84 WeakPolarHBondContact O-CG 3.47Å; A80-K84 PolarHBondContact O-N 3.34Å; A80-K84 VanDerWaalsContact O-N 3.16Å
81K97.8Very high97.1Very high150 Ų15098.4 Ų98.465%0.65249%0.494SS*.Hα-helixtrans-68.5-43.4174.4-71.3168.4-174.6168.20111.8D77 A78 E79 K84 A85D77-K81 WeakPolarHBondContact O-CG 3.23Å; D77-K81 PolarHBondContact O-N 3.18Å; D77-K81 VanDerWaalsContact O-N 3.12Å; A78-K81 WeakPolarHBondContact O-CB 3.39Å; A78-K81 PolarHBondContact O-N 3.14Å; E79-K81 VanDerWaalsContact C-N 3.27Å; E79-K81 PolarHBondContact O-N 3.43Å; K81-K84 PolarHBondContact O-N 2.87Å; K81-A85 PolarHBondContact O-N 2.96Å
82V98.1Very high97.2Very high83 Ų8397 Ų9750%0.50349%0.487SS..Hα-helixtrans-61.3-47.3176.3176.10000110.4A78 E79 K84 A85 D86A78-V82 WeakPolarHBondContact O-CG2 3.47Å; A78-V82 PolarHBondContact O-N 3.13Å; E79-V82 PolarHBondContact O-N 2.72Å; E79-V82 VanDerWaalsContact O-N 3.16Å; V82-K84 VanDerWaalsContact C-N 3.28Å; V82-K84 PolarHBondContact O-N 3.34Å; V82-A85 WeakPolarHBondContact O-CB 3.16Å; V82-A85 PolarHBondContact O-N 3.46Å; V82-A85 VanDerWaalsContact O-N 3.07Å; V82-D86 PolarHBondContact O-N 3.29Å
83Q97.8Very high97Very high91 Ų9199.6 Ų99.643%0.42550%0.495SS..Hα-helixtrans-59.6-36.4177.9-71.3179.45.800113.1E79 K87E79-Q83 HydrophobicContact CG-CG 4.45Å; E79-Q83 WeakPolarHBondContact O-CG 3.4Å; E79-Q83 PolarHBondContact O-N 3.35Å; E79-Q83 PolarHBondContact OE1-NE2 2.9Å; Q83-K87 VanDerWaalsContact O-CG 3.31Å; Q83-K87 WeakPolarHBondContact O-CG 3.3Å; Q83-K87 PolarHBondContact O-N 2.99Å; Q83-K87 VanDerWaalsContact O-N 3.09Å
84K97.6Very high96.7Very high154 Ų15498.2 Ų98.267%0.6749%0.492SS*.Hα-helixtrans-65.6-45.3174.1-75.4173.1-177.2176.60111.4A80 K81 V82 K87 E88A80-K84 WeakPolarHBondContact O-CG 3.47Å; A80-K84 PolarHBondContact O-N 3.34Å; A80-K84 VanDerWaalsContact O-N 3.16Å; K81-K84 PolarHBondContact O-N 2.87Å; V82-K84 VanDerWaalsContact C-N 3.28Å; V82-K84 PolarHBondContact O-N 3.34Å; K84-K87 PolarHBondContact O-N 3.07Å; K84-E88 PolarHBondContact O-N 2.94Å
85A97.8Very high96.6Very high43 Ų43101.2 Ų101.236%0.35549%0.493SS..Hα-helixtrans-64.1-40.6177.500000111.9K81 V82 E88 I89K81-A85 PolarHBondContact O-N 2.96Å; V82-A85 WeakPolarHBondContact O-CB 3.16Å; V82-A85 PolarHBondContact O-N 3.46Å; V82-A85 VanDerWaalsContact O-N 3.07Å; A85-E88 PolarHBondContact O-N 3Å; A85-I89 VanDerWaalsContact O-CG1 3.28Å; A85-I89 WeakPolarHBondContact O-CG1 3.37Å; A85-I89 PolarHBondContact O-N 3.41Å
86D97.8Very high96.3Very high80 Ų80100 Ų10043%0.42850%0.499SS..Hα-helixtrans-63.2-44.8177.4-75-25.6000111.6V82 E88 I89 E90V82-D86 PolarHBondContact O-N 3.29Å; D86-E88 VanDerWaalsContact C-N 3.33Å; D86-E88 PolarHBondContact O-N 3.38Å; D86-I89 PolarHBondContact O-N 3.48Å; D86-E90 WeakPolarHBondContact O-CG 3.32Å; D86-E90 PolarHBondContact O-N 3.24Å
87K97.6Very high95.9Very high132 Ų13296.3 Ų96.357%0.57449%0.493SS*.Hα-helixtrans-58.8-44.6173.9-75.3174.2-176.4174.30111.9Q83 K84 I89 E90 D91Q83-K87 VanDerWaalsContact O-CG 3.31Å; Q83-K87 WeakPolarHBondContact O-CG 3.3Å; Q83-K87 PolarHBondContact O-N 2.99Å; Q83-K87 VanDerWaalsContact O-N 3.09Å; K84-K87 PolarHBondContact O-N 3.07Å; K87-I89 VanDerWaalsContact C-N 3.34Å; K87-I89 PolarHBondContact O-N 3.35Å; K87-E90 PolarHBondContact O-N 2.9Å; K87-D91 PolarHBondContact O-N 2.94Å
88E97.4Very high95.4Very high125 Ų12597.2 Ų97.258%0.58450%0.497SS*.Hα-helixtrans-62-42.7176.5-174.9178.4-179.500111.6K84 A85 D86 E90 D91 L92K84-E88 PolarHBondContact O-N 2.94Å; A85-E88 PolarHBondContact O-N 3Å; D86-E88 VanDerWaalsContact C-N 3.33Å; D86-E88 PolarHBondContact O-N 3.38Å; E88-E90 VanDerWaalsContact C-N 3.34Å; E88-E90 PolarHBondContact O-N 2.88Å; E88-D91 PolarHBondContact O-N 2.91Å; E88-L92 HydrophobicContact CG-CD1 4.06Å; E88-L92 HydrophobicContact CG-CG 4.46Å; E88-L92 WeakPolarHBondContact O-CB 3.35Å; E88-L92 WeakPolarHBondContact O-CG 3.43Å; E88-L92 PolarHBondContact O-N 3.26Å
89I97.4Very high95Very high78 Ų78102.1 Ų102.140%0.452%0.516SS..Hα-helixtrans-62.4-41.4175.9-71.5165.6000111.1A85 D86 K87 L92 K93A85-I89 VanDerWaalsContact O-CG1 3.28Å; A85-I89 WeakPolarHBondContact O-CG1 3.37Å; A85-I89 PolarHBondContact O-N 3.41Å; D86-I89 PolarHBondContact O-N 3.48Å; K87-I89 VanDerWaalsContact C-N 3.34Å; K87-I89 PolarHBondContact O-N 3.35Å; I89-L92 PolarHBondContact O-N 3.43Å; I89-K93 HydrophobicContact CG2-CD 3.95Å; I89-K93 VanDerWaalsContact CG2-CE 3.44Å; I89-K93 HydrophobicContact CG2-CG 4.36Å; I89-K93 WeakPolarHBondContact O-CB 3.45Å; I89-K93 VanDerWaalsContact O-CG 3.22Å; I89-K93 WeakPolarHBondContact O-CG 3.37Å; I89-K93 PolarHBondContact O-N 2.83Å
90E96.4Very high94.3Very high124 Ų124101.7 Ų101.758%0.57953%0.526SS*.Hα-helixtrans-62.8-47.6176.6-75.4178.7177.700111.8D86 K87 E88 L92 K93 L94D86-E90 WeakPolarHBondContact O-CG 3.32Å; D86-E90 PolarHBondContact O-N 3.24Å; K87-E90 PolarHBondContact O-N 2.9Å; E88-E90 VanDerWaalsContact C-N 3.34Å; E88-E90 PolarHBondContact O-N 2.88Å; E90-L92 VanDerWaalsContact C-N 3.31Å; E90-L92 PolarHBondContact O-N 3.45Å; E90-K93 WeakPolarHBondContact O-CB 3.37Å; E90-K93 PolarHBondContact O-N 2.96Å; E90-L94 PolarHBondContact O-N 3.29Å
91D96Very high93.1Very high97 Ų97102 Ų10252%0.51953%0.532SS..Hα-helixtrans-60.4-42.5176.5-75.5-12.6000111.5K87 E88 L94 K95K87-D91 PolarHBondContact O-N 2.94Å; E88-D91 PolarHBondContact O-N 2.91Å; D91-L94 PolarHBondContact O-N 3.26Å; D91-K95 WeakPolarHBondContact O-CG 3.35Å; D91-K95 PolarHBondContact O-N 3.33Å
92L96.4Very high91.6Very high85 Ų85100.2 Ų100.245%0.44553%0.534SS..Hα-helixtrans-66.5-41.1176.4-71.3173.6000111.8E88 I89 E90 L94 K95 V96E88-L92 HydrophobicContact CG-CD1 4.06Å; E88-L92 HydrophobicContact CG-CG 4.46Å; E88-L92 WeakPolarHBondContact O-CB 3.35Å; E88-L92 WeakPolarHBondContact O-CG 3.43Å; E88-L92 PolarHBondContact O-N 3.26Å; I89-L92 PolarHBondContact O-N 3.43Å; E90-L92 VanDerWaalsContact C-N 3.31Å; E90-L92 PolarHBondContact O-N 3.45Å; L92-L94 VanDerWaalsContact C-N 3.32Å; L92-L94 PolarHBondContact O-N 3.16Å; L92-K95 PolarHBondContact O-N 2.63Å; L92-V96 VanDerWaalsContact O-CG2 3.29Å; L92-V96 WeakPolarHBondContact O-CG2 3.32Å; L92-V96 PolarHBondContact O-N 3.17Å
93K93.4Very high90.1Very high135 Ų135105.2 Ų105.259%0.58755%0.549SS*.Hα-helixtrans-60.5-42.5174.5-78.9169.6179.9167.10111.2I89 E90 V96 V97I89-K93 HydrophobicContact CG2-CD 3.95Å; I89-K93 VanDerWaalsContact CG2-CE 3.44Å; I89-K93 HydrophobicContact CG2-CG 4.36Å; I89-K93 WeakPolarHBondContact O-CB 3.45Å; I89-K93 VanDerWaalsContact O-CG 3.22Å; I89-K93 WeakPolarHBondContact O-CG 3.37Å; I89-K93 PolarHBondContact O-N 2.83Å; E90-K93 WeakPolarHBondContact O-CB 3.37Å; E90-K93 PolarHBondContact O-N 2.96Å; K93-V96 PolarHBondContact O-N 3.14Å; K93-V97 WeakPolarHBondContact O-CG2 3.45Å; K93-V97 PolarHBondContact O-N 3.45Å
94L91.2Very high88.3Confident103 Ų103109.3 Ų109.354%0.53957%0.565SS.*Hα-helixtrans-62.5-48.8176.6-176.364.2000111E90 D91 L92 V96 V97 D98E90-L94 PolarHBondContact O-N 3.29Å; D91-L94 PolarHBondContact O-N 3.26Å; L92-L94 VanDerWaalsContact C-N 3.32Å; L92-L94 PolarHBondContact O-N 3.16Å; L94-V96 VanDerWaalsContact C-N 3.27Å; L94-V96 PolarHBondContact O-N 2.94Å; L94-V97 WeakPolarHBondContact O-CA 3.4Å; L94-V97 WeakPolarHBondContact O-CB 3.49Å; L94-V97 PolarHBondContact O-N 3.3Å; L94-D98 PolarHBondContact O-N 2.91Å
95K92.4Very high86.7Confident123 Ų123107 Ų10754%0.53557%0.566SS.*Hα-helixtrans-57.1-40175.4-72.7171.1-175.6170.90112.4D91 L92 V97 D98 L99D91-K95 WeakPolarHBondContact O-CG 3.35Å; D91-K95 PolarHBondContact O-N 3.33Å; L92-K95 PolarHBondContact O-N 2.63Å; K95-V97 VanDerWaalsContact C-N 3.33Å; K95-V97 PolarHBondContact O-N 3.41Å; K95-D98 PolarHBondContact O-N 3.24Å; K95-L99 WeakPolarHBondContact O-CB 3.48Å; K95-L99 VanDerWaalsContact O-CG 3.23Å; K95-L99 WeakPolarHBondContact O-CG 3.46Å; K95-L99 PolarHBondContact O-N 2.97Å
96V91.6Very high85.1Confident96 Ų96108.7 Ų108.758%0.58258%0.58SS**Hα-helixtrans-62.2-41.2175.5167.60000111.1L92 K93 L94 A100L92-V96 VanDerWaalsContact O-CG2 3.29Å; L92-V96 WeakPolarHBondContact O-CG2 3.32Å; L92-V96 PolarHBondContact O-N 3.17Å; K93-V96 PolarHBondContact O-N 3.14Å; L94-V96 VanDerWaalsContact C-N 3.27Å; L94-V96 PolarHBondContact O-N 2.94Å; V96-A100 WeakPolarHBondContact O-CB 3.37Å; V96-A100 PolarHBondContact O-N 3.48Å
97V87.9Confident83.5Confident78 Ų78113.2 Ų113.247%0.47360%0.603SS.*Hα-helixtrans-65.4-44.3176.6171.90000111.3K93 L94 K95 A100 G101K93-V97 WeakPolarHBondContact O-CG2 3.45Å; K93-V97 PolarHBondContact O-N 3.45Å; L94-V97 WeakPolarHBondContact O-CA 3.4Å; L94-V97 WeakPolarHBondContact O-CB 3.49Å; L94-V97 PolarHBondContact O-N 3.3Å; K95-V97 VanDerWaalsContact C-N 3.33Å; K95-V97 PolarHBondContact O-N 3.41Å; V97-A100 PolarHBondContact O-N 3.13Å; V97-G101 PolarHBondContact O-N 3.41Å
98D86.9Confident82.1Confident101 Ų101115.1 Ų115.154%0.5461%0.612SS.*Hα-helixtrans-63.4-45.5178.9-68.7-21.9000111.6L94 K95 G101L94-D98 PolarHBondContact O-N 2.91Å; K95-D98 PolarHBondContact O-N 3.24Å; D98-G101 PolarHBondContact O-N 3.43Å; D98-G101 VanDerWaalsContact O-N 3.13Å
99L88.2Confident80.6Confident154 Ų154118.3 Ų118.381%0.80662%0.624SS**Hα-helixtrans-68.4-37.5177.8-71.1174.4000113.1K95 G101K95-L99 WeakPolarHBondContact O-CB 3.48Å; K95-L99 VanDerWaalsContact O-CG 3.23Å; K95-L99 WeakPolarHBondContact O-CG 3.46Å; K95-L99 PolarHBondContact O-N 2.97Å; L99-G101 PolarHBondContact O-N 3.14Å
100A83.1Confident79.1Confident74 Ų74120.8 Ų120.861%0.61264%0.642SS**Hα-helixtrans-65.2-14.9174.300000112.2V96 V97V96-A100 WeakPolarHBondContact O-CB 3.37Å; V96-A100 PolarHBondContact O-N 3.48Å; V97-A100 PolarHBondContact O-N 3.13Å
101G72.8Confident78Confident36 Ų36125 Ų12537%0.37165%0.652SS.*  trans71.2132.7-16900000109.7V97 D98 L99 K103V97-G101 PolarHBondContact O-N 3.41Å; D98-G101 PolarHBondContact O-N 3.43Å; D98-G101 VanDerWaalsContact O-N 3.13Å; L99-G101 PolarHBondContact O-N 3.14Å; G101-K103 VanDerWaalsContact C-N 3.34Å; G101-K103 PolarHBondContact O-N 3.27Å
102V66.3Low76.7Confident113 Ų113125.9 Ų125.969%0.68566%0.655SS**  trans-56.7101.6170.8178.90000107.5K104V102-K104 PolarHBondContact O-N 2.98Å
103K66.4Low75.7Confident188 Ų188125 Ų12582%0.81766%0.656SS**  trans-65.486.2167.2-74.3-175.9-177.1172.20105.7G101 P105G101-K103 VanDerWaalsContact C-N 3.34Å; G101-K103 PolarHBondContact O-N 3.27Å; K103-P105 WeakPolarHBondContact O-CD 3.37Å
104K59.4Low74.6Confident176 Ų176121.8 Ų121.877%0.76565%0.654SS**  trans-47.6112.4171.9-157.2174.3-168.6175.80104.8V102 A106V102-K104 PolarHBondContact O-N 2.98Å; K104-A106 PolarHBondContact O-N 2.92Å
105P64.1Low73.6Confident106 Ų106120.7 Ų120.769%0.68865%0.649SS**  trans-53.8118-179.9-24.132.8000105.4K103 L107K103-P105 WeakPolarHBondContact O-CD 3.37Å; P105-L107 PolarHBondContact O-N 3.42Å
106A65.1Low72.6Confident79 Ų79117 Ų11765%0.65364%0.642SS**  trans-52.5120.5178.700000105.5K104 K108K104-A106 PolarHBondContact O-N 2.92Å; A106-K108 PolarHBondContact O-N 3.17Å
107L63.1Low71.8Confident174 Ų174116.9 Ų116.991%0.91164%0.636SS**  trans-62.881.2177.9-70.9171.7000107P105 K109P105-L107 PolarHBondContact O-N 3.42Å; L107-K109 PolarHBondContact O-N 2.76Å
108K67.6Low71Confident173 Ų173117.1 Ų117.175%0.75263%0.634SS**  trans-71.7121.5173.9-75.1-175.5-179.7179.90104.6A106 V110A106-K108 PolarHBondContact O-N 3.17Å; K108-V110 HydrophobicContact CB-CG2 4.42Å; K108-V110 WeakPolarHBondContact O-CG2 3.49Å; K108-V110 PolarHBondContact O-N 3.39Å
109K66.4Low70.3Confident192 Ų192118.7 Ų118.784%0.83564%0.636SS**  trans-65.385.3170.2-165.9172.4-174.1173.30107.6L107 R111L107-K109 PolarHBondContact O-N 2.76Å; K109-R111 PolarHBondContact O-N 3.37Å; K109-R111 VanDerWaalsContact O-N 3.17Å
110V67.1Low69.6Low130 Ų130115.1 Ų115.179%0.78863%0.629SS**  trans-72107.6176.1-178.30000106.3K108K108-V110 HydrophobicContact CB-CG2 4.42Å; K108-V110 WeakPolarHBondContact O-CG2 3.49Å; K108-V110 PolarHBondContact O-N 3.39Å
111R73.4Confident69.3Low211 Ų211117.9 Ų117.980%0.79663%0.633SS**  trans-73.2148.6166.2-61.4-177.7-176.7-172.7-0.2107.4K109 S113K109-R111 PolarHBondContact O-N 3.37Å; K109-R111 VanDerWaalsContact O-N 3.17Å; R111-S113 PolarHBondContact O-N 3.19Å
112M68.5Low69.3Low117 Ų117120.4 Ų120.458%0.57664%0.637SS**  trans-44.8127.3172.1-107.3168.561.300109.6A116 M117M112-A116 HydrophobicContact CG-CB 4.42Å; M112-M117 HydrophobicContact CE-CB 3.56Å; M112-M117 HydrophobicContact CE-CE 4.1Å; M112-M117 HydrophobicContact CE-CG 3.84Å
113S75.5Confident69.3Low65 Ų65116.7 Ų116.746%0.45562%0.622SS.*  trans-62.7151.5174.162.30000109.2R111 D115 A116 M117R111-S113 PolarHBondContact O-N 3.19Å; S113-D115 PolarHBondContact O-N 3.21Å; S113-A116 PolarHBondContact O-N 2.98Å; S113-A116 WeakPolarHBondContact OG-CB 3.31Å; S113-A116 PolarHBondContact OG-N 2.92Å; S113-M117 PolarHBondContact O-N 3.22Å
114A70.4Confident69.1Low68 Ų68113 Ų11356%0.56262%0.619SS**Hα-helixtrans-53-38.817600000111M117 L118A114-M117 PolarHBondContact O-N 2.75Å; A114-L118 WeakPolarHBondContact O-CB 3.36Å; A114-L118 VanDerWaalsContact O-CG 3.28Å; A114-L118 WeakPolarHBondContact O-CG 3.33Å; A114-L118 PolarHBondContact O-N 2.98Å
115D68.4Low69.2Low80 Ų80113.6 Ų113.643%0.42862%0.622SS.*Hα-helixtrans-65.8-40.5178.1-61.3-13.6000113.1S113 M117 K119S113-D115 PolarHBondContact O-N 3.21Å; D115-M117 VanDerWaalsContact C-N 3.34Å; D115-K119 VanDerWaalsContact O-CB 3.23Å; D115-K119 WeakPolarHBondContact O-CB 3.32Å; D115-K119 PolarHBondContact O-N 3.07Å
116A72Confident68.8Low46 Ų46113.9 Ų113.938%0.3861%0.614SS.*Hα-helixtrans-67.1-38.6176.100000111.2M112 S113 A120M112-A116 HydrophobicContact CG-CB 4.42Å; S113-A116 PolarHBondContact O-N 2.98Å; S113-A116 WeakPolarHBondContact OG-CB 3.31Å; S113-A116 PolarHBondContact OG-N 2.92Å; A116-A120 WeakPolarHBondContact O-CB 3.35Å; A116-A120 PolarHBondContact O-N 3.35Å; A116-A120 VanDerWaalsContact O-N 3.13Å
117M75.9Confident68.3Low94 Ų94114.8 Ų114.846%0.46361%0.611SS.*Hα-helixtrans-67.7-45.6176.2-169.5175.9-79.700112M112 S113 A114 D115 A120 L121M112-M117 HydrophobicContact CE-CB 3.56Å; M112-M117 HydrophobicContact CE-CE 4.1Å; M112-M117 HydrophobicContact CE-CG 3.84Å; S113-M117 PolarHBondContact O-N 3.22Å; A114-M117 PolarHBondContact O-N 2.75Å; D115-M117 VanDerWaalsContact C-N 3.34Å; M117-A120 PolarHBondContact O-N 3.13Å; M117-L121 HydrophobicContact CG-CD1 3.85Å; M117-L121 WeakPolarHBondContact O-CB 3.44Å; M117-L121 VanDerWaalsContact O-CG 3.31Å; M117-L121 WeakPolarHBondContact O-CG 3.23Å; M117-L121 PolarHBondContact O-N 2.81Å
118L71Confident67.9Low82 Ų82110.1 Ų110.143%0.42959%0.59SS.*Hα-helixtrans-66.5-41.1179.1-74.1168.7000111.9A114 A120 L121 L122A114-L118 WeakPolarHBondContact O-CB 3.36Å; A114-L118 VanDerWaalsContact O-CG 3.28Å; A114-L118 WeakPolarHBondContact O-CG 3.33Å; A114-L118 PolarHBondContact O-N 2.98Å; L118-A120 VanDerWaalsContact C-N 3.32Å; L118-A120 PolarHBondContact O-N 3.45Å; L118-L121 PolarHBondContact O-N 3.3Å; L118-L122 HydrophobicContact CD2-CD1 3.75Å; L118-L122 VanDerWaalsContact O-CB 3.31Å; L118-L122 WeakPolarHBondContact O-CB 3.37Å; L118-L122 PolarHBondContact O-N 2.99Å
119K72.1Confident67.3Low134 Ų134106.6 Ų106.658%0.58358%0.579SS**Hα-helixtrans-64.1-37.3175.7-172.2173.3-177.21770112.4D115 G123D115-K119 VanDerWaalsContact O-CB 3.23Å; D115-K119 WeakPolarHBondContact O-CB 3.32Å; D115-K119 PolarHBondContact O-N 3.07Å; K119-G123 WeakPolarHBondContact O-CA 3.28Å; K119-G123 PolarHBondContact O-N 3.36Å; K119-G123 VanDerWaalsContact O-N 3.13Å
120A73.7Confident66.7Low80 Ų80102.3 Ų102.366%0.66156%0.564SS**Hα-helixtrans-70.8-37.9176.800000112.7A116 M117 L118A116-A120 WeakPolarHBondContact O-CB 3.35Å; A116-A120 PolarHBondContact O-N 3.35Å; A116-A120 VanDerWaalsContact O-N 3.13Å; M117-A120 PolarHBondContact O-N 3.13Å; L118-A120 VanDerWaalsContact C-N 3.32Å; L118-A120 PolarHBondContact O-N 3.45Å
121L75.3Confident66.2Low132 Ų132100.4 Ų100.469%0.69155%0.549SS*.Hα-helixtrans-84.4-32.9-177.4-68.7173.3000113.9M117 L118M117-L121 HydrophobicContact CG-CD1 3.85Å; M117-L121 WeakPolarHBondContact O-CB 3.44Å; M117-L121 VanDerWaalsContact O-CG 3.31Å; M117-L121 WeakPolarHBondContact O-CG 3.23Å; M117-L121 PolarHBondContact O-N 2.81Å; L118-L121 PolarHBondContact O-N 3.3Å
122L72.9Confident65.4Low89 Ų8997.6 Ų97.647%0.46655%0.549SS..Hα-helixtrans-115.60.4-170.1-55.9175.7000113.4L118 H126L118-L122 HydrophobicContact CD2-CD1 3.75Å; L118-L122 VanDerWaalsContact O-CB 3.31Å; L118-L122 WeakPolarHBondContact O-CB 3.37Å; L118-L122 PolarHBondContact O-N 2.99Å; L122-H126 HydrophobicContact CB-CB 4.41Å; L122-H126 HydrophobicContact CD1-CB 4.47Å
123G67.8Low64.9Low35 Ų35102.7 Ų102.736%0.36156%0.562SS.*G310 helixtrans61.8-152.7177.100000113.7K119 K125K119-G123 WeakPolarHBondContact O-CA 3.28Å; K119-G123 PolarHBondContact O-N 3.36Å; K119-G123 VanDerWaalsContact O-N 3.13Å; G123-K125 PolarHBondContact O-N 2.93Å
124S62.2Low64.2Low109 Ų109103 Ų10376%0.76257%0.569SS**G310 helixtrans-69.6-13.3-175.464.90000114.6H126S124-H126 PolarHBondContact O-N 3.19Å
125K60.2Low63.6Low189 Ų189105.3 Ų105.382%0.82257%0.571SS**G310 helixtrans-72.2-17-172.7-143.5175.9-173.2-176.70113G123G123-K125 PolarHBondContact O-N 2.93Å
126H55.3Low63.4Low112 Ų112107.2 Ų107.252%0.51958%0.581SS.*G310 helixtrans-129.950.7179-81.131.3000111.6L122 S124 V128L122-H126 HydrophobicContact CB-CB 4.41Å; L122-H126 HydrophobicContact CD1-CB 4.47Å; S124-H126 PolarHBondContact O-N 3.19Å; H126-V128 PolarHBondContact O-N 3.13Å
127T54.4Low62.8Low98 Ų98114.8 Ų114.860%0.60161%0.605SS**  trans-76.768.4160.755.30000109.4N129T127-N129 PolarHBondContact O-N 3.23Å
128V55.2Low61.9Low77 Ų77118.7 Ų118.747%0.46762%0.622SS.*  trans-76.9102.3167.4-174.70000105.5H126 M130H126-V128 PolarHBondContact O-N 3.13Å; V128-M130 VanDerWaalsContact C-N 3.29Å; V128-M130 HydrophobicContact CG1-CE 3.63Å; V128-M130 PolarHBondContact O-N 2.95Å
129N54.9Low61.2Low98 Ų98121.2 Ų121.252%0.52464%0.641SS.*  trans-60.3102.2164.3-177.2-7.1000106T127 D131T127-N129 PolarHBondContact O-N 3.23Å; N129-D131 VanDerWaalsContact CG-OD2 3.31Å; N129-D131 PolarHBondContact ND2-OD2 2.94Å; N129-D131 PolarHBondContact O-N 3.19Å; N129-D131 WeakPolarHBondContact OD1-CB 3.39Å; N129-D131 PolarHBondContact OD1-N 2.83Å; N129-D131 PolarHBondContact OD1-OD2 3.27Å
130M54.7Low60.1Low103 Ų103121.7 Ų121.751%0.50764%0.643SS.*  trans-70.825.2175.2-73.5-9592.500111.4V128 L132 N135V128-M130 VanDerWaalsContact C-N 3.29Å; V128-M130 HydrophobicContact CG1-CE 3.63Å; V128-M130 PolarHBondContact O-N 2.95Å; M130-L132 PolarHBondContact O-N 2.88Å; M130-N135 WeakPolarHBondContact CE-ND2 3.43Å
131D56.2Low59Low90 Ų90127.5 Ų127.548%0.48165%0.653SS.*  trans-48.8111.4156.1-88.6-26000107.4N129 R133 A134N129-D131 VanDerWaalsContact CG-OD2 3.31Å; N129-D131 PolarHBondContact ND2-OD2 2.94Å; N129-D131 PolarHBondContact O-N 3.19Å; N129-D131 WeakPolarHBondContact OD1-CB 3.39Å; N129-D131 PolarHBondContact OD1-N 2.83Å; N129-D131 PolarHBondContact OD1-OD2 3.27Å; D131-R133 PolarHBondContact O-N 2.84Å; D131-A134 HydrophobicContact CB-CB 4.23Å; D131-A134 PolarHBondContact O-N 2.99Å
132L56.3Low57.4Low151 Ų151126.5 Ų126.579%0.79165%0.645SS**THydrogen-bonded Turntrans-52.9-18.7178.4-140.7125.2000112.1M130 L136M130-L132 PolarHBondContact O-N 2.88Å; L132-L136 WeakPolarHBondContact O-CD1 3.31Å; L132-L136 WeakPolarHBondContact O-CG 3.4Å
133R59.1Low55.9Low224 Ų224129.2 Ų129.285%0.84567%0.666SS**THydrogen-bonded Turntrans-80.8-28.5178.2-145.6174.3-171.7151.80.5114.1D131D131-R133 PolarHBondContact O-N 2.84Å
134A60Low54.5Low73 Ų73133.7 Ų133.760%0.60368%0.675SS**THydrogen-bonded Turntrans-80.4-26.6-176.100000113.1D131D131-A134 HydrophobicContact CB-CB 4.23Å; D131-A134 PolarHBondContact O-N 2.99Å
135N58Low53.8Low115 Ų115137.6 Ų137.662%0.61568%0.682SS**SBendtrans-91-6.4179.6-109.4-47.1000114.3M130M130-N135 WeakPolarHBondContact CE-ND2 3.43Å
136L63.4Low52.7Low120 Ų120134.7 Ų134.763%0.62867%0.671SS**SBendtrans-83.6125.9172.8-69.2170.2000108.3L132 Q138L132-L136 WeakPolarHBondContact O-CD1 3.31Å; L132-L136 WeakPolarHBondContact O-CG 3.4Å; L136-Q138 PolarHBondContact O-N 3.22Å
137K59.3Low52Low206 Ų206134.6 Ų134.690%0.89668%0.68SS**  trans-54.3105.4170.8-80.9-175.8177179.80108.2V139K137-V139 PolarHBondContact O-N 2.85Å
138Q57.2Low51.7Low175 Ų175136.7 Ų136.782%0.81869%0.693SS**  trans-64.9106.5169-161.5173-7.400105.7L136 K140L136-Q138 PolarHBondContact O-N 3.22Å; Q138-K140 PolarHBondContact O-N 2.85Å
139V56.4Low51.6Low136 Ų136141.8 Ų141.882%0.82471%0.712SS**  trans-63.694.5167.4177.40000104.7K137 K141K137-V139 PolarHBondContact O-N 2.85Å; V139-K141 PolarHBondContact O-N 2.77Å
140K49.8Very low51.5Low144 Ų144141.7 Ų141.763%0.62672%0.724SS**  trans-60.7112167.9-69-174.7177.1175.20105.1Q138 E142Q138-K140 PolarHBondContact O-N 2.85Å; K140-E142 HydrophobicContact CB-CB 4.39Å; K140-E142 HydrophobicContact CB-CG 3.89Å; K140-E142 HydrophobicContact CD-CG 3.97Å; K140-E142 WeakPolarHBondContact CD-OE1 3.44Å; K140-E142 WeakPolarHBondContact CE-OE1 2.89Å; K140-E142 IonicContact NZ-OE1 3.34Å; K140-E142 PolarHBondContact NZ-OE1 2.77Å; K140-E142 PolarHBondContact O-N 3.01Å
141K50.2Low51.1Low201 Ų201144.9 Ų144.987%0.87474%0.742SS**  trans-6966.4154.5-166.3175.3-176.2179.50105.8V139 T143V139-K141 PolarHBondContact O-N 2.77Å; K141-T143 PolarHBondContact O-N 2.8Å
142E42.7Very low50.7Low112 Ų112143.5 Ų143.552%0.52375%0.749SS.*  trans-65.7112.3163.3-91.2169.8-168.900104K140 K144K140-E142 HydrophobicContact CB-CB 4.39Å; K140-E142 HydrophobicContact CB-CG 3.89Å; K140-E142 HydrophobicContact CD-CG 3.97Å; K140-E142 WeakPolarHBondContact CD-OE1 3.44Å; K140-E142 WeakPolarHBondContact CE-OE1 2.89Å; K140-E142 IonicContact NZ-OE1 3.34Å; K140-E142 PolarHBondContact NZ-OE1 2.77Å; K140-E142 PolarHBondContact O-N 3.01Å; E142-K144 HydrophobicContact CB-CB 4.32Å; E142-K144 PolarHBondContact O-N 2.76Å
143T41.4Very low51Low145 Ų145141.7 Ų141.789%0.8974%0.74SS**  trans-58.474.7151.9-38.60000106.3K141K141-T143 PolarHBondContact O-N 2.8Å
144K37.5Very low51.1Low130 Ų130142.5 Ų142.557%0.56574%0.743SS**  trans-89.9108.7172.4-165.2177.5177.6-161.80104.5E142 E146E142-K144 HydrophobicContact CB-CB 4.32Å; E142-K144 PolarHBondContact O-N 2.76Å; K144-E146 HydrophobicContact CB-CG 4.41Å; K144-E146 HydrophobicContact CD-CG 4.2Å; K144-E146 HydrophobicContact CG-CG 4.22Å; K144-E146 IonicContact NZ-OE1 3.38Å; K144-E146 PolarHBondContact NZ-OE1 3.25Å; K144-E146 PolarHBondContact O-N 2.85Å
145E46.8Very low50.9Low191 Ų191148.7 Ų148.789%0.89375%0.751SS**  trans-49.296.5150.5-70.8179.3144.900106.5
146E38.5Very low50.9Low128 Ų128151.7 Ų151.760%0.59876%0.758SS**  trans-84.2132.5167.5-71.9-129.6135.200107.9K144 T148K144-E146 HydrophobicContact CB-CG 4.41Å; K144-E146 HydrophobicContact CD-CG 4.2Å; K144-E146 HydrophobicContact CG-CG 4.22Å; K144-E146 IonicContact NZ-OE1 3.38Å; K144-E146 PolarHBondContact NZ-OE1 3.25Å; K144-E146 PolarHBondContact O-N 2.85Å; E146-T148 PolarHBondContact O-N 3.38Å
147P40.5Very low50.5Low110 Ų110153.1 Ų153.171%0.71477%0.767SS**  trans-61.2124.3170.727.7-32.4000108.4E149P147-E149 PolarHBondContact O-N 2.88Å
148T46.7Very low50.4Low142 Ų142150.1 Ų150.187%0.87176%0.759SS**THydrogen-bonded Turntrans-72.150.4-169.844.10000114.4E146E146-T148 PolarHBondContact O-N 3.38Å
149E53.4Low50.2Low183 Ų183149.6 Ų149.686%0.85576%0.757SS**THydrogen-bonded Turntrans-131.9-3.5-173.1-71.7-170.6160.100117.1P147P147-E149 PolarHBondContact O-N 2.88Å
150A53.2Low50.1Low96 Ų96150.5 Ų150.579%0.79376%0.757SS**SBendtrans-117.620.8-171.400000116.6
151I47.3Very low50.4Low170 Ų170153.4 Ų153.487%0.87277%0.769SS**SBendtrans-123.979.1165.8-57.3174.3000107.4
152G47.8Very low50.8Low61 Ų61148 Ų14863%0.62976%0.763SS**  trans-60.7133.117600000111.8W154G152-W154 PolarHBondContact O-N 3.22Å
153D62.6Low51.1Low113 Ų113149.8 Ų149.860%0.60478%0.776SS**  trans-59.7110.9-178.5-171.1-0.4000111.9R155 K156D153-R155 PolarHBondContact O-N 3.12Å; D153-R155 WeakPolarHBondContact OD1-CB 3.34Å; D153-R155 PolarHBondContact OD1-N 3.39Å; D153-R155 VanDerWaalsContact OD1-N 3.12Å; D153-K156 PolarHBondContact O-N 3.49Å
154W61Low51.8Low242 Ų242154.9 Ų154.992%0.91778%0.779SS**G310 helixtrans-64.6-6.2177.5-78.2-30.8000114G152 K156G152-W154 PolarHBondContact O-N 3.22Å; W154-K156 VanDerWaalsContact C-N 3.34Å; W154-K156 PolarHBondContact O-N 3.07Å
155R55.7Low52.7Low202 Ų202158.4 Ų158.476%0.76279%0.794SS**G310 helixtrans-72.3-20.6175.9-78.1-178.6159.8139-4.1114.7D153 N157D153-R155 PolarHBondContact O-N 3.12Å; D153-R155 WeakPolarHBondContact OD1-CB 3.34Å; D153-R155 PolarHBondContact OD1-N 3.39Å; D153-R155 VanDerWaalsContact OD1-N 3.12Å; R155-N157 VanDerWaalsContact C-N 3.29Å; R155-N157 PolarHBondContact O-N 3.26Å
156K57.1Low53.3Low178 Ų178158.8 Ų158.877%0.77479%0.793SS**G310 helixtrans-74-11.9-172.1-123.6176.8-175.6175.80115.5D153 W154D153-K156 PolarHBondContact O-N 3.49Å; W154-K156 VanDerWaalsContact C-N 3.34Å; W154-K156 PolarHBondContact O-N 3.07Å
157N55.7Low53.8Low151 Ų151161.4 Ų161.481%0.80781%0.807SS**G310 helixtrans-96.4-0.1-173.1-144.910.4000114.2R155R155-N157 VanDerWaalsContact C-N 3.29Å; R155-N157 PolarHBondContact O-N 3.26Å
158I56Low54.3Low143 Ų143165.8 Ų165.873%0.73382%0.815SS**SBendtrans-103.8-20.5-173.9-73172.4000113.1
159E53.5Low54.3Low164 Ų164168.5 Ų168.577%0.76682%0.818SS**G310 helixtrans-84.8-18.7-175.7-70.5-179.1166.600114.4K161E159-K161 PolarHBondContact O-N 3.33Å
160D55.8Low53.7Low154 Ų154165 Ų16582%0.82481%0.814SS**G310 helixtrans-87.110.6-173.4-84.4-17.9000115.8
161K54.8Low53Low205 Ų205170.1 Ų170.189%0.89184%0.844SS**G310 helixtrans-124.832.7175.9-72.7-163.2179.3-1790114.7E159E159-K161 PolarHBondContact O-N 3.33Å
162A58.2Low53.3Low89 Ų89170.1 Ų170.174%0.73684%0.842SS**SBendtrans-92.8108.2160.100000109.9
163D50.1Low53.6Low149 Ų149175.8 Ų175.880%0.79785%0.853SS**  trans73.6111.4159.2-103.7-31000121.6
164R55.6Low53.1Low252 Ų252179.3 Ų179.395%0.95187%0.867SS**  trans-168.989.7130.5-104-168.4-69.9-164.80.2109.4
165K57.2Low52.7Low204 Ų204175.6 Ų175.689%0.88786%0.864SS**PPolyproline II helixtrans-102.9124.9159.2-106.1-179.8178.9176.50109.4
166K57.8Low52.5Low199 Ų199174 Ų17487%0.86587%0.871SS**PPolyproline II helixtrans-51.6138.3-174.4-86.1175165.6177.80113.6
167M49.4Very low52.2Low183 Ų183173.7 Ų173.790%0.90188%0.877SS**PPolyproline II helixtrans-52.6136158.5-65.3-84.1-159.700110.4
168F52.3Low51.9Low202 Ų202175.4 Ų175.489%0.88688%0.882SS**PPolyproline II helixtrans-88.6122.6158.4-87.6-91.4000107.6
169E45.3Very low51.6Low198 Ų198177.8 Ų177.893%0.92589%0.894SS**PPolyproline II helixtrans-74.1131.4163.1-73.2175.7167.500108.5
170S40.5Very low51.4Low111 Ų111179 Ų17978%0.77690%0.904SS**  trans-127.1114.4170.846.40000108.7
171S40.3Very low51Low202 Ų202181.3 Ų181.3100%1.41391%0.912SS**  trans55.60167.3-68.60000119.5

Retrieved 171 of 171 residues in 258.4 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).