A0A3Q0KIG8_SCHMA Loading...

Neurogenic differentiation factor

AlphaFold DB , UniProt , Accession A0A3Q0KIG8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 100 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M53.4Low79.6Confident202 Ų202137.1 Ų137.1100%0.99564%0.638SS**  0107.90-155.6175.9-128.900106.6Y3M1-Y3 HydrophobicContact CB-CE2 4.49Å; M1-Y3 PolarHBondContact O-N 3.16Å; M1-Y3 VanDerWaalsContact O-N 3.15Å
2F74.4Confident79.7Confident219 Ų219133.2 Ų133.296%0.96162%0.62SS**  trans-75.7101.2-178.2-95.1-94.2000108.9
3Y77.5Confident79.6Confident196 Ų196129.2 Ų129.277%0.76961%0.605SS**PPolyproline II helixtrans-73.2126.9165.7-68.2-78.7000108M1M1-Y3 HydrophobicContact CB-CE2 4.49Å; M1-Y3 PolarHBondContact O-N 3.16Å; M1-Y3 VanDerWaalsContact O-N 3.15Å
4K79.8Confident79.7Confident143 Ų143131.4 Ų131.462%0.62261%0.612SS**PPolyproline II helixtrans-59.2142.6169.9-72.3-174.2177.6-175.50109.4E8K4-E8 WeakPolarHBondContact CA-OE2 3.31Å; K4-E8 HydrophobicContact CB-CB 4.15Å; K4-E8 WeakPolarHBondContact CB-OE2 3.43Å
5S83.6Confident79.7Confident55 Ų55126.7 Ų126.739%0.38560%0.599SS.*PPolyproline II helixtrans-62.4153.817583.70000109.9E7 E8 Y9S5-E7 PolarHBondContact O-N 3.16Å; S5-E7 VanDerWaalsContact O-N 3.16Å; S5-E7 PolarHBondContact OG-N 3.49Å; S5-E8 PolarHBondContact N-OE2 3.42Å; S5-E8 PolarHBondContact O-N 3.38Å; S5-E8 VanDerWaalsContact O-N 3.1Å; S5-E8 WeakPolarHBondContact OG-CG 3.43Å; S5-E8 PolarHBondContact OG-N 3.06Å; S5-Y9 PolarHBondContact O-N 2.9Å
6I85.1Confident79.6Confident139 Ų139125 Ų12571%0.71359%0.59SS**Hα-helixtrans-54.2-35.3174.4-69170.7000110.3Y9 N10I6-Y9 PolarHBondContact O-N 3Å; I6-N10 WeakPolarHBondContact O-CB 3.35Å; I6-N10 PolarHBondContact O-N 2.98Å; I6-N10 PolarHBondContact O-ND2 3.1Å; I6-N10 VanDerWaalsContact O-ND2 3.16Å
7E85.3Confident79.8Confident144 Ų144127.1 Ų127.167%0.67359%0.592SS**Hα-helixtrans-66.1-45.9177.1-171.2167.8-160.800112.4S5 Y9 N10 I11S5-E7 PolarHBondContact O-N 3.16Å; S5-E7 VanDerWaalsContact O-N 3.16Å; S5-E7 PolarHBondContact OG-N 3.49Å; E7-Y9 VanDerWaalsContact C-N 3.32Å; E7-Y9 PolarHBondContact O-N 3.49Å; E7-N10 PolarHBondContact O-N 3.42Å; E7-I11 HydrophobicContact CG-CD1 4.15Å; E7-I11 VanDerWaalsContact O-CG1 3.31Å; E7-I11 WeakPolarHBondContact O-CG1 3.38Å; E7-I11 PolarHBondContact O-N 3.43Å
8E85.8Confident80.2Confident102 Ų102122.9 Ų122.948%0.47758%0.58SS.*Hα-helixtrans-60.7-40.9174.9-72.1177147.900112.1K4 S5 I11 Q12K4-E8 WeakPolarHBondContact CA-OE2 3.31Å; K4-E8 HydrophobicContact CB-CB 4.15Å; K4-E8 WeakPolarHBondContact CB-OE2 3.43Å; S5-E8 PolarHBondContact N-OE2 3.42Å; S5-E8 PolarHBondContact O-N 3.38Å; S5-E8 VanDerWaalsContact O-N 3.1Å; S5-E8 WeakPolarHBondContact OG-CG 3.43Å; S5-E8 PolarHBondContact OG-N 3.06Å; E8-I11 PolarHBondContact O-N 2.96Å; E8-Q12 WeakPolarHBondContact O-CB 3.43Å; E8-Q12 PolarHBondContact O-N 2.82Å
9Y85.7Confident80.6Confident139 Ų139119.7 Ų119.755%0.54557%0.569SS.*Hα-helixtrans-61.7-45.5175.1-178.6-100.2000111.4S5 I6 E7 I11 Q12 L13S5-Y9 PolarHBondContact O-N 2.9Å; I6-Y9 PolarHBondContact O-N 3Å; E7-Y9 VanDerWaalsContact C-N 3.32Å; E7-Y9 PolarHBondContact O-N 3.49Å; Y9-I11 PolarHBondContact O-N 2.95Å; Y9-Q12 PolarHBondContact O-N 3.21Å; Y9-L13 HydrophobicContact CD1-CD1 3.75Å; Y9-L13 HydrophobicContact CD1-CG 4.26Å; Y9-L13 HydrophobicContact CE1-CD1 3.16Å; Y9-L13 HydrophobicContact CE1-CG 3.88Å; Y9-L13 HydrophobicContact CE2-CG 4.48Å; Y9-L13 WeakPolarHBondContact O-CG 3.34Å; Y9-L13 PolarHBondContact O-N 3.43Å
10N82.4Confident81Confident76 Ų76116.8 Ų116.841%0.40656%0.562SS.*Hα-helixtrans-63.6-40.1177.7-74.6-29.4000112.5I6 E7 L13 K14I6-N10 WeakPolarHBondContact O-CB 3.35Å; I6-N10 PolarHBondContact O-N 2.98Å; I6-N10 PolarHBondContact O-ND2 3.1Å; I6-N10 VanDerWaalsContact O-ND2 3.16Å; E7-N10 PolarHBondContact O-N 3.42Å; N10-L13 PolarHBondContact O-N 3.45Å; N10-K14 WeakPolarHBondContact O-CG 3.48Å; N10-K14 PolarHBondContact O-N 3Å
11I82.4Confident81.4Confident93 Ų93116.1 Ų116.148%0.47756%0.556SS.*Hα-helixtrans-62.5-48.2174.5-68.9165.8000110.1E7 E8 Y9 L13 K14 C15E7-I11 HydrophobicContact CG-CD1 4.15Å; E7-I11 VanDerWaalsContact O-CG1 3.31Å; E7-I11 WeakPolarHBondContact O-CG1 3.38Å; E7-I11 PolarHBondContact O-N 3.43Å; E8-I11 PolarHBondContact O-N 2.96Å; Y9-I11 PolarHBondContact O-N 2.95Å; I11-L13 VanDerWaalsContact C-N 3.35Å; I11-L13 PolarHBondContact O-N 2.85Å; I11-K14 PolarHBondContact O-N 3.25Å; I11-C15 PolarHBondContact O-N 2.95Å; I11-C15 PolarHBondContact O-SG 2.92Å
12Q80.7Confident83.3Confident90 Ų90111.7 Ų111.742%0.42154%0.536SS..Hα-helixtrans-60.2-43.6178.7-178673.900111.8E8 Y9 C15 Q16E8-Q12 WeakPolarHBondContact O-CB 3.43Å; E8-Q12 PolarHBondContact O-N 2.82Å; Y9-Q12 PolarHBondContact O-N 3.21Å; Q12-C15 PolarHBondContact O-N 3.42Å; Q12-Q16 HydrophobicContact CG-CG 4.42Å; Q12-Q16 WeakPolarHBondContact O-CB 3.19Å; Q12-Q16 VanDerWaalsContact O-CG 3.27Å; Q12-Q16 WeakPolarHBondContact O-CG 3.22Å; Q12-Q16 PolarHBondContact O-N 3.3Å
13L79.2Confident84.1Confident81 Ų81108.1 Ų108.142%0.42452%0.52SS..Hα-helixtrans-62.8-44.1176.3-78.2-177.7000112.2Y9 N10 I11 C15 Q16 Y17Y9-L13 HydrophobicContact CD1-CD1 3.75Å; Y9-L13 HydrophobicContact CD1-CG 4.26Å; Y9-L13 HydrophobicContact CE1-CD1 3.16Å; Y9-L13 HydrophobicContact CE1-CG 3.88Å; Y9-L13 HydrophobicContact CE2-CG 4.48Å; Y9-L13 WeakPolarHBondContact O-CG 3.34Å; Y9-L13 PolarHBondContact O-N 3.43Å; N10-L13 PolarHBondContact O-N 3.45Å; I11-L13 VanDerWaalsContact C-N 3.35Å; I11-L13 PolarHBondContact O-N 2.85Å; L13-C15 VanDerWaalsContact C-N 3.33Å; L13-C15 PolarHBondContact O-N 3.3Å; L13-Q16 PolarHBondContact O-N 3.46Å; L13-Y17 WeakPolarHBondContact O-CB 3.41Å; L13-Y17 PolarHBondContact O-N 3.47Å
14K80.1Confident84.9Confident161 Ų161105.9 Ų105.970%0.751%0.51SS*.Hα-helixtrans-59.4-44.3175.2-76.6178.1-176.91780111.4N10 I11 S18N10-K14 WeakPolarHBondContact O-CG 3.48Å; N10-K14 PolarHBondContact O-N 3Å; I11-K14 PolarHBondContact O-N 3.25Å; K14-S18 WeakPolarHBondContact O-CB 3.35Å; K14-S18 PolarHBondContact O-N 3.43Å; K14-S18 PolarHBondContact O-OG 2.89Å
15C79.8Confident85.6Confident61 Ų61102.6 Ų102.641%0.41250%0.5SS..Hα-helixtrans-65-43.1175.7-71.80000112.4I11 Q12 L13 S18 V19I11-C15 PolarHBondContact O-N 2.95Å; I11-C15 PolarHBondContact O-SG 2.92Å; Q12-C15 PolarHBondContact O-N 3.42Å; L13-C15 VanDerWaalsContact C-N 3.33Å; L13-C15 PolarHBondContact O-N 3.3Å; C15-S18 WeakPolarHBondContact CA-OG 3.23Å; C15-S18 PolarHBondContact O-N 2.81Å; C15-S18 PolarHBondContact O-OG 2.83Å; C15-V19 WeakPolarHBondContact O-CB 3.24Å; C15-V19 VanDerWaalsContact O-CG2 3.23Å; C15-V19 WeakPolarHBondContact O-CG2 3.5Å; C15-V19 PolarHBondContact O-N 3.35Å
16Q78.7Confident86.1Confident99 Ų99106.5 Ų106.546%0.46351%0.51SS..Hα-helixtrans-63.2-43.9176.7-77-72.2-1400111.8Q12 L13 V19 S20Q12-Q16 HydrophobicContact CG-CG 4.42Å; Q12-Q16 WeakPolarHBondContact O-CB 3.19Å; Q12-Q16 VanDerWaalsContact O-CG 3.27Å; Q12-Q16 WeakPolarHBondContact O-CG 3.22Å; Q12-Q16 PolarHBondContact O-N 3.3Å; L13-Q16 PolarHBondContact O-N 3.46Å; Q16-V19 PolarHBondContact O-N 3.15Å; Q16-S20 VanDerWaalsContact O-CB 3.29Å; Q16-S20 WeakPolarHBondContact O-CB 3.38Å; Q16-S20 PolarHBondContact O-N 2.96Å; Q16-S20 PolarHBondContact O-OG 2.84Å
17Y82.9Confident86.6Confident160 Ų160101.4 Ų101.463%0.62749%0.488SS*.Hα-helixtrans-64.8-41.2175.9-173.8-95.8000111.4L13 S20 K21L13-Y17 WeakPolarHBondContact O-CB 3.41Å; L13-Y17 PolarHBondContact O-N 3.47Å; Y17-S20 PolarHBondContact O-N 2.87Å; Y17-K21 HydrophobicContact CE1-CD 4.39Å; Y17-K21 WeakPolarHBondContact O-CB 3.29Å; Y17-K21 PolarHBondContact O-N 2.88Å
18S87.2Confident87.2Confident52 Ų5298.1 Ų98.136%0.36448%0.475SS..Hα-helixtrans-65.7-44.1176.976.70000111.7K14 C15 S20 K21 L22K14-S18 WeakPolarHBondContact O-CB 3.35Å; K14-S18 PolarHBondContact O-N 3.43Å; K14-S18 PolarHBondContact O-OG 2.89Å; C15-S18 WeakPolarHBondContact CA-OG 3.23Å; C15-S18 PolarHBondContact O-N 2.81Å; C15-S18 PolarHBondContact O-OG 2.83Å; S18-S20 PolarHBondContact O-N 3.29Å; S18-K21 PolarHBondContact O-N 3.5Å; S18-L22 WeakPolarHBondContact O-CB 3.41Å; S18-L22 VanDerWaalsContact O-CG 3.24Å; S18-L22 WeakPolarHBondContact O-CG 3.29Å; S18-L22 PolarHBondContact O-N 3.34Å
19V87.6Confident87.7Confident62 Ų62101.1 Ų101.138%0.37648%0.482SS..Hα-helixtrans-61.7-45.3174.9170.60000110.9C15 Q16 K21 L22 K23C15-V19 WeakPolarHBondContact O-CB 3.24Å; C15-V19 VanDerWaalsContact O-CG2 3.23Å; C15-V19 WeakPolarHBondContact O-CG2 3.5Å; C15-V19 PolarHBondContact O-N 3.35Å; Q16-V19 PolarHBondContact O-N 3.15Å; V19-K21 PolarHBondContact O-N 3.47Å; V19-L22 PolarHBondContact O-N 3.29Å; V19-K23 HydrophobicContact CG1-CD 4.28Å; V19-K23 WeakPolarHBondContact O-CG 3.27Å; V19-K23 PolarHBondContact O-N 3.49Å
20S89.2Confident88.3Confident62 Ų62101.7 Ų101.743%0.43448%0.483SS..Hα-helixtrans-62.2-43176.6-62.40000111.7Q16 Y17 S18 K23 R24Q16-S20 VanDerWaalsContact O-CB 3.29Å; Q16-S20 WeakPolarHBondContact O-CB 3.38Å; Q16-S20 PolarHBondContact O-N 2.96Å; Q16-S20 PolarHBondContact O-OG 2.84Å; Y17-S20 PolarHBondContact O-N 2.87Å; S18-S20 PolarHBondContact O-N 3.29Å; S20-K23 PolarHBondContact O-N 3.34Å; S20-R24 PolarHBondContact O-N 3.46Å
21K89.9Confident89Confident102 Ų102102 Ų10244%0.44348%0.482SS..Hα-helixtrans-61.9-43.6174-176.8175.4177.9179.50111.4Y17 S18 V19 R24 L25Y17-K21 HydrophobicContact CE1-CD 4.39Å; Y17-K21 WeakPolarHBondContact O-CB 3.29Å; Y17-K21 PolarHBondContact O-N 2.88Å; S18-K21 PolarHBondContact O-N 3.5Å; V19-K21 PolarHBondContact O-N 3.47Å; K21-R24 PolarHBondContact O-N 3.35Å; K21-L25 HydrophobicContact CG-CD1 4.3Å; K21-L25 WeakPolarHBondContact O-CB 3.48Å; K21-L25 VanDerWaalsContact O-CG 3.29Å; K21-L25 WeakPolarHBondContact O-CG 3.36Å; K21-L25 PolarHBondContact O-N 3.39Å
22L91.5Very high89.7Confident109 Ų109104.2 Ų104.257%0.57149%0.485SS*.Hα-helixtrans-64.8-42.3177.1-73.2173000112.1S18 V19 R24 L25 K26S18-L22 WeakPolarHBondContact O-CB 3.41Å; S18-L22 VanDerWaalsContact O-CG 3.24Å; S18-L22 WeakPolarHBondContact O-CG 3.29Å; S18-L22 PolarHBondContact O-N 3.34Å; V19-L22 PolarHBondContact O-N 3.29Å; L22-R24 VanDerWaalsContact C-N 3.35Å; L22-R24 PolarHBondContact O-N 2.87Å; L22-L25 PolarHBondContact O-N 2.87Å; L22-K26 WeakPolarHBondContact O-CB 3.49Å; L22-K26 PolarHBondContact O-N 2.99Å
23K93Very high90.5Very high144 Ų144102.8 Ų102.863%0.62649%0.488SS*.Hα-helixtrans-58.8-45.9173.6-74.5176.9-179.2179.50111V19 S20 K26 A27V19-K23 HydrophobicContact CG1-CD 4.28Å; V19-K23 WeakPolarHBondContact O-CG 3.27Å; V19-K23 PolarHBondContact O-N 3.49Å; S20-K23 PolarHBondContact O-N 3.34Å; K23-K26 PolarHBondContact O-N 2.89Å; K23-A27 WeakPolarHBondContact O-CB 3.46Å; K23-A27 PolarHBondContact O-N 3.4Å
24R94.2Very high91.4Very high149 Ų149105.4 Ų105.456%0.56249%0.492SS*.Hα-helixtrans-61.8-45.2175.2-173.4176.164.7150.9-1.8112.1S20 K21 L22 K26 A27 N28S20-R24 PolarHBondContact O-N 3.46Å; K21-R24 PolarHBondContact O-N 3.35Å; L22-R24 VanDerWaalsContact C-N 3.35Å; L22-R24 PolarHBondContact O-N 2.87Å; R24-K26 PolarHBondContact O-N 2.84Å; R24-A27 PolarHBondContact O-N 3.02Å; R24-N28 WeakPolarHBondContact O-CB 3.45Å; R24-N28 VanDerWaalsContact O-CG 3.24Å; R24-N28 PolarHBondContact O-N 3.42Å; R24-N28 PolarHBondContact O-OD1 3.08Å
25L93.2Very high92.3Very high75 Ų75100.7 Ų100.739%0.39347%0.473SS..Hα-helixtrans-62.2-41.3176.5-73.2175.7000112.2K21 L22 N28 R29K21-L25 HydrophobicContact CG-CD1 4.3Å; K21-L25 WeakPolarHBondContact O-CB 3.48Å; K21-L25 VanDerWaalsContact O-CG 3.29Å; K21-L25 WeakPolarHBondContact O-CG 3.36Å; K21-L25 PolarHBondContact O-N 3.39Å; L22-L25 PolarHBondContact O-N 2.87Å; L25-N28 PolarHBondContact O-N 3.27Å; L25-R29 WeakPolarHBondContact O-CB 3.4Å; L25-R29 PolarHBondContact O-N 3.5Å
26K94Very high93.1Very high137 Ų137103.1 Ų103.160%0.59648%0.479SS*.Hα-helixtrans-64.1-42.8175-170.9176.3-176.9177.30111L22 K23 R24 R29 R30L22-K26 WeakPolarHBondContact O-CB 3.49Å; L22-K26 PolarHBondContact O-N 2.99Å; K23-K26 PolarHBondContact O-N 2.89Å; R24-K26 PolarHBondContact O-N 2.84Å; K26-R29 PolarHBondContact O-N 3.42Å; K26-R30 WeakPolarHBondContact O-CG 3.44Å; K26-R30 PolarHBondContact O-N 3.01Å
27A95.8Very high94Very high32 Ų32101.4 Ų101.426%0.26448%0.481SS..Hα-helixtrans-61.7-47.4175.100000112.2K23 R24 R29 R30 E31K23-A27 WeakPolarHBondContact O-CB 3.46Å; K23-A27 PolarHBondContact O-N 3.4Å; R24-A27 PolarHBondContact O-N 3.02Å; A27-R29 VanDerWaalsContact C-N 3.3Å; A27-R29 PolarHBondContact O-N 3.49Å; A27-R30 WeakPolarHBondContact O-CB 3.48Å; A27-R30 PolarHBondContact O-N 2.89Å; A27-R30 VanDerWaalsContact O-N 3.1Å; A27-E31 PolarHBondContact O-N 3.19Å
28N97.4Very high94.8Very high74 Ų7498 Ų9840%0.39647%0.474SS..Hα-helixtrans-60.5-39.1176.5-69.5-5.3000112.1R24 L25 E31 R32R24-N28 WeakPolarHBondContact O-CB 3.45Å; R24-N28 VanDerWaalsContact O-CG 3.24Å; R24-N28 PolarHBondContact O-N 3.42Å; R24-N28 PolarHBondContact O-OD1 3.08Å; L25-N28 PolarHBondContact O-N 3.27Å; N28-E31 PolarHBondContact O-N 3.11Å; N28-R32 WeakPolarHBondContact O-CG 3.42Å; N28-R32 PolarHBondContact O-N 2.97Å
29R96.7Very high95.2Very high165 Ų16598.1 Ų98.162%0.62347%0.47SS*.Hα-helixtrans-62.1-43174.6-174.5-179.1-70.2121.4-3.6111.5L25 K26 A27 R32 A33L25-R29 WeakPolarHBondContact O-CB 3.4Å; L25-R29 PolarHBondContact O-N 3.5Å; K26-R29 PolarHBondContact O-N 3.42Å; A27-R29 VanDerWaalsContact C-N 3.3Å; A27-R29 PolarHBondContact O-N 3.49Å; R29-R32 PolarHBondContact O-N 3.1Å; R29-A33 PolarHBondContact O-N 3.49Å; R29-A33 VanDerWaalsContact O-N 3.08Å
30R97.7Very high95.6Very high151 Ų151100.1 Ų100.157%0.5748%0.479SS*.Hα-helixtrans-62.5-46.8176.4-68.2-168-46.6-91.90.2111.9K26 A27 R32 A33 R34K26-R30 WeakPolarHBondContact O-CG 3.44Å; K26-R30 PolarHBondContact O-N 3.01Å; A27-R30 WeakPolarHBondContact O-CB 3.48Å; A27-R30 PolarHBondContact O-N 2.89Å; A27-R30 VanDerWaalsContact O-N 3.1Å; R30-R32 VanDerWaalsContact C-N 3.31Å; R30-R32 PolarHBondContact O-N 3.26Å; R30-A33 WeakPolarHBondContact O-CB 3.44Å; R30-A33 PolarHBondContact O-N 2.71Å; R30-A33 VanDerWaalsContact O-N 3.11Å; R30-R34 PolarHBondContact O-N 3.35Å
31E97.9Very high96Very high82 Ų82100 Ų10038%0.38348%0.481SS..Hα-helixtrans-64.4-37.7-179-179.553.9-158.100111.9A27 N28 R34 M35A27-E31 PolarHBondContact O-N 3.19Å; N28-E31 PolarHBondContact O-N 3.11Å; E31-R34 WeakPolarHBondContact O-CB 3.1Å; E31-R34 PolarHBondContact O-N 3.36Å; E31-R34 IonicContact OE1-CZ 3.15Å; E31-R34 IonicContact OE1-NE 3.77Å; E31-R34 PolarHBondContact OE1-NE 3.36Å; E31-R34 VanDerWaalsContact OE1-NE 3.15Å; E31-R34 IonicContact OE1-NH2 3.72Å; E31-R34 PolarHBondContact OE1-NH2 3.45Å; E31-R34 IonicContact OE2-CZ 2.82Å; E31-R34 IonicContact OE2-NE 2.81Å; E31-R34 PolarHBondContact OE2-NE 2.87Å; E31-R34 IonicContact OE2-NH2 3.79Å; E31-M35 WeakPolarHBondContact O-CB 3.44Å; E31-M35 PolarHBondContact O-N 2.88Å
32R98Very high96.3Very high141 Ų14196.2 Ų96.253%0.53247%0.466SS..Hα-helixtrans-59.5-46.7170.3-77.3-169.5-69.6-112.53.5112.1N28 R29 R30 R34 M35 H36N28-R32 WeakPolarHBondContact O-CG 3.42Å; N28-R32 PolarHBondContact O-N 2.97Å; R29-R32 PolarHBondContact O-N 3.1Å; R30-R32 VanDerWaalsContact C-N 3.31Å; R30-R32 PolarHBondContact O-N 3.26Å; R32-R34 VanDerWaalsContact C-N 3.32Å; R32-R34 PolarHBondContact O-N 2.9Å; R32-M35 PolarHBondContact O-N 3.07Å; R32-H36 PolarHBondContact O-CD2 3.48Å; R32-H36 PolarHBondContact O-N 2.83Å
33A97.5Very high96.3Very high59 Ų5994.2 Ų94.249%0.48845%0.453SS..Hα-helixtrans-59-43.1176.600000111.9R29 R30 M35 H36 A37R29-A33 PolarHBondContact O-N 3.49Å; R29-A33 VanDerWaalsContact O-N 3.08Å; R30-A33 WeakPolarHBondContact O-CB 3.44Å; R30-A33 PolarHBondContact O-N 2.71Å; R30-A33 VanDerWaalsContact O-N 3.11Å; A33-M35 PolarHBondContact O-N 3.25Å; A33-H36 PolarHBondContact O-N 2.9Å; A33-A37 PolarHBondContact O-N 2.9Å
34R98.2Very high96.4Very high137 Ų13793.3 Ų93.352%0.51745%0.451SS..Hα-helixtrans-59.5-45.4174.5-167.2-170.374.485.50.3111.7R30 E31 R32 A37 L38R30-R34 PolarHBondContact O-N 3.35Å; E31-R34 WeakPolarHBondContact O-CB 3.1Å; E31-R34 PolarHBondContact O-N 3.36Å; E31-R34 IonicContact OE1-CZ 3.15Å; E31-R34 IonicContact OE1-NE 3.77Å; E31-R34 PolarHBondContact OE1-NE 3.36Å; E31-R34 VanDerWaalsContact OE1-NE 3.15Å; E31-R34 IonicContact OE1-NH2 3.72Å; E31-R34 PolarHBondContact OE1-NH2 3.45Å; E31-R34 IonicContact OE2-CZ 2.82Å; E31-R34 IonicContact OE2-NE 2.81Å; E31-R34 PolarHBondContact OE2-NE 2.87Å; E31-R34 IonicContact OE2-NH2 3.79Å; R32-R34 VanDerWaalsContact C-N 3.32Å; R32-R34 PolarHBondContact O-N 2.9Å; R34-A37 PolarHBondContact O-N 3.47Å; R34-L38 PolarHBondContact O-N 3.36Å
35M97.9Very high96.4Very high61 Ų6188.4 Ų88.430%0.344%0.436SS..Hα-helixtrans-66.5-36.4179.1-166.459.461.100112.3E31 R32 A33 L38 N39E31-M35 WeakPolarHBondContact O-CB 3.44Å; E31-M35 PolarHBondContact O-N 2.88Å; R32-M35 PolarHBondContact O-N 3.07Å; A33-M35 PolarHBondContact O-N 3.25Å; M35-L38 PolarHBondContact O-N 3.32Å; M35-L38 HydrophobicContact SD-CD2 4.02Å; M35-N39 WeakPolarHBondContact O-CB 3.38Å; M35-N39 PolarHBondContact O-N 3.42Å; M35-N39 PolarHBondContact O-ND2 3.15Å
36H97.8Very high96.4Very high113 Ų11385.8 Ų85.852%0.52342%0.421SS..Hα-helixtrans-62.9-44.7172.5-74.4-62.9000111.6R32 A33 L38 N39 N40R32-H36 PolarHBondContact O-CD2 3.48Å; R32-H36 PolarHBondContact O-N 2.83Å; A33-H36 PolarHBondContact O-N 2.9Å; H36-L38 VanDerWaalsContact C-N 3.35Å; H36-L38 PolarHBondContact O-N 3.03Å; H36-N39 PolarHBondContact O-N 2.69Å; H36-N40 WeakPolarHBondContact O-CB 3.46Å; H36-N40 PolarHBondContact O-N 2.82Å; H36-N40 PolarHBondContact O-OD1 2.91Å
37A97.6Very high96.2Very high62 Ų6284.2 Ų84.251%0.51242%0.418SS..Hα-helixtrans-59.5-44.3175.300000112.2A33 R34 N40 A41A33-A37 PolarHBondContact O-N 2.9Å; R34-A37 PolarHBondContact O-N 3.47Å; A37-N40 PolarHBondContact O-N 3.28Å; A37-A41 PolarHBondContact O-N 3.24Å
38L97.6Very high96.1Very high90 Ų9087.9 Ų87.947%0.47143%0.432SS..Hα-helixtrans-62.1-45.8175.8178.463000112.2R34 M35 H36 N40 A41 L42R34-L38 PolarHBondContact O-N 3.36Å; M35-L38 PolarHBondContact O-N 3.32Å; M35-L38 HydrophobicContact SD-CD2 4.02Å; H36-L38 VanDerWaalsContact C-N 3.35Å; H36-L38 PolarHBondContact O-N 3.03Å; L38-N40 VanDerWaalsContact C-N 3.31Å; L38-N40 PolarHBondContact O-N 3.04Å; L38-A41 PolarHBondContact O-N 3.3Å; L38-L42 PolarHBondContact O-N 2.96Å
39N96.6Very high95.7Very high54 Ų5484.5 Ų84.529%0.28941%0.414SS..Hα-helixtrans-66-35.5179.3-71.9-27.4000111.7M35 H36 L42 E43 K61M35-N39 WeakPolarHBondContact O-CB 3.38Å; M35-N39 PolarHBondContact O-N 3.42Å; M35-N39 PolarHBondContact O-ND2 3.15Å; H36-N39 PolarHBondContact O-N 2.69Å; N39-L42 PolarHBondContact O-N 3.24Å; N39-E43 PolarHBondContact O-N 2.95Å; N39-K61 PolarHBondContact OD1-NZ 3.3Å
40N96.4Very high95.2Very high104 Ų10479.2 Ų79.256%0.55640%0.401SS*.Hα-helixtrans-64.5-45174.2-69.6-5.8000111H36 A37 L38 L42 E43 Q44H36-N40 WeakPolarHBondContact O-CB 3.46Å; H36-N40 PolarHBondContact O-N 2.82Å; H36-N40 PolarHBondContact O-OD1 2.91Å; A37-N40 PolarHBondContact O-N 3.28Å; L38-N40 VanDerWaalsContact C-N 3.31Å; L38-N40 PolarHBondContact O-N 3.04Å; N40-L42 VanDerWaalsContact C-N 3.32Å; N40-L42 PolarHBondContact O-N 3.34Å; N40-E43 WeakPolarHBondContact O-CB 3.41Å; N40-E43 PolarHBondContact O-N 3.36Å; N40-E43 VanDerWaalsContact O-N 3.13Å; N40-Q44 WeakPolarHBondContact O-CG 3.18Å; N40-Q44 PolarHBondContact O-N 3.34Å
41A97Very high94Very high59 Ų5978.8 Ų78.849%0.48841%0.405SS..Hα-helixtrans-60.9-40.6175.200000112.1A37 L38 E43 Q44 L45A37-A41 PolarHBondContact O-N 3.24Å; L38-A41 PolarHBondContact O-N 3.3Å; A41-E43 VanDerWaalsContact C-N 3.29Å; A41-E43 PolarHBondContact O-N 3.4Å; A41-Q44 PolarHBondContact O-N 2.83Å; A41-L45 PolarHBondContact O-N 2.61Å
42L95.7Very high92.5Very high23 Ų2375.9 Ų75.912%0.1239%0.394CS..Hα-helixtrans-65-33.8175.2-170.269.6000112.2L38 N39 N40 L45 R46 K61 T64 L65L38-L42 PolarHBondContact O-N 2.96Å; N39-L42 PolarHBondContact O-N 3.24Å; N40-L42 VanDerWaalsContact C-N 3.32Å; N40-L42 PolarHBondContact O-N 3.34Å; L42-L45 HydrophobicContact CD1-CD2 4.4Å; L42-L45 WeakPolarHBondContact O-CB 3.47Å; L42-L45 PolarHBondContact O-N 2.76Å; L42-R46 WeakPolarHBondContact O-CG 3.46Å; L42-R46 PolarHBondContact O-N 3.35Å; L42-K61 HydrophobicContact CD2-CB 4.13Å; L42-K61 HydrophobicContact CD2-CD 4.31Å; L42-K61 HydrophobicContact CD2-CG 3.69Å; L42-T64 HydrophobicContact CD1-CG2 3.71Å; L42-T64 HydrophobicContact CG-CG2 4.26Å; L42-L65 HydrophobicContact CD1-CD2 4.48Å
43E93Very high90.8Very high67 Ų6774.1 Ų74.131%0.31340%0.403SS..Hα-helixtrans-69.4-40.4174.6-160.163.4-167.900112.3N39 N40 A41 L45 R46 I47 K58N39-E43 PolarHBondContact O-N 2.95Å; N40-E43 WeakPolarHBondContact O-CB 3.41Å; N40-E43 PolarHBondContact O-N 3.36Å; N40-E43 VanDerWaalsContact O-N 3.13Å; A41-E43 VanDerWaalsContact C-N 3.29Å; A41-E43 PolarHBondContact O-N 3.4Å; E43-L45 VanDerWaalsContact C-N 3.27Å; E43-L45 PolarHBondContact O-N 3.49Å; E43-R46 WeakPolarHBondContact O-CB 3.37Å; E43-R46 PolarHBondContact O-N 2.81Å; E43-R46 IonicContact OE2-CZ 3.33Å; E43-R46 IonicContact OE2-NH1 2.69Å; E43-R46 PolarHBondContact OE2-NH1 3.09Å; E43-I47 WeakPolarHBondContact O-CG1 3.13Å; E43-I47 PolarHBondContact O-N 3.03Å; E43-I47 VanDerWaalsContact O-N 3.09Å; E43-K58 IonicContact OE1-NZ 3.75Å; E43-K58 WeakPolarHBondContact OE2-CE 3.41Å; E43-K58 IonicContact OE2-NZ 2.71Å; E43-K58 PolarHBondContact OE2-NZ 3.01Å
44Q93.8Very high89Confident124 Ų12476.9 Ų76.958%0.57942%0.418SS*.Hα-helixtrans-60.2-40.3172.2-65.1-57.6-34.200111.5N40 A41 R46 I47N40-Q44 WeakPolarHBondContact O-CG 3.18Å; N40-Q44 PolarHBondContact O-N 3.34Å; A41-Q44 PolarHBondContact O-N 2.83Å; Q44-R46 VanDerWaalsContact C-N 3.33Å; Q44-R46 PolarHBondContact O-N 3.23Å; Q44-I47 PolarHBondContact O-N 3.47Å
45L94.3Very high87.3Confident47 Ų4776.2 Ų76.225%0.24642%0.421CS..Hα-helixtrans-60.9-41.6172.6-179.857.8000111.5A41 L42 E43 I47 I48 L49 T64 L65 A68A41-L45 PolarHBondContact O-N 2.61Å; L42-L45 HydrophobicContact CD1-CD2 4.4Å; L42-L45 WeakPolarHBondContact O-CB 3.47Å; L42-L45 PolarHBondContact O-N 2.76Å; E43-L45 VanDerWaalsContact C-N 3.27Å; E43-L45 PolarHBondContact O-N 3.49Å; L45-I47 PolarHBondContact O-N 3.41Å; L45-I48 HydrophobicContact CD1-CD1 3.89Å; L45-I48 HydrophobicContact CD1-CG1 4.09Å; L45-I48 WeakPolarHBondContact O-CG1 3.39Å; L45-I48 PolarHBondContact O-N 3.07Å; L45-L49 HydrophobicContact CG-CD1 4.42Å; L45-L49 WeakPolarHBondContact O-CG 3.5Å; L45-L49 PolarHBondContact O-N 3.44Å; L45-T64 HydrophobicContact CD2-CG2 4.03Å; L45-T64 HydrophobicContact CG-CG2 4.08Å; L45-L65 HydrophobicContact CD2-CD2 4.41Å; L45-A68 HydrophobicContact CD1-CB 3.93Å; L45-A68 HydrophobicContact CD2-CB 3.94Å; L45-A68 HydrophobicContact CG-CB 4.27Å
46R93.2Very high85.8Confident19 Ų1979.4 Ų79.47%0.07245%0.449CS..Hα-helixtrans-58.3-49.1176-71.6-176.8-176.291.79.8111.2L42 E43 Q44 I48 L49 S52 L59 T64L42-R46 WeakPolarHBondContact O-CG 3.46Å; L42-R46 PolarHBondContact O-N 3.35Å; E43-R46 WeakPolarHBondContact O-CB 3.37Å; E43-R46 PolarHBondContact O-N 2.81Å; E43-R46 IonicContact OE2-CZ 3.33Å; E43-R46 IonicContact OE2-NH1 2.69Å; E43-R46 PolarHBondContact OE2-NH1 3.09Å; Q44-R46 VanDerWaalsContact C-N 3.33Å; Q44-R46 PolarHBondContact O-N 3.23Å; R46-I48 PolarHBondContact O-N 3.46Å; R46-L49 PolarHBondContact O-N 3.13Å; R46-S52 PolarHBondContact O-OG 3.29Å; R46-L59 PolarHBondContact NE-O 2.98Å; R46-L59 VanDerWaalsContact NE-O 3.07Å; R46-L59 PolarHBondContact NH2-O 3.33Å; R46-T64 HydrophobicContact CG-CG2 3.68Å; R46-T64 PolarHBondContact NE-OG1 3.34Å; R46-T64 PolarHBondContact NH2-OG1 3.07Å
47I90.9Very high84.8Confident104 Ų10479.8 Ų79.853%0.53345%0.453SS..Hα-helixtrans-53.2-35.7-176.2-66.3164.6000112.9E43 Q44 L45E43-I47 WeakPolarHBondContact O-CG1 3.13Å; E43-I47 PolarHBondContact O-N 3.03Å; E43-I47 VanDerWaalsContact O-N 3.09Å; Q44-I47 PolarHBondContact O-N 3.47Å; L45-I47 PolarHBondContact O-N 3.41Å
48I91.9Very high84.2Confident109 Ų10983.1 Ų83.156%0.55946%0.456SS*.Hα-helixtrans-85-11.2-178.765.6164.5000114.3L45 R46L45-I48 HydrophobicContact CD1-CD1 3.89Å; L45-I48 HydrophobicContact CD1-CG1 4.09Å; L45-I48 WeakPolarHBondContact O-CG1 3.39Å; L45-I48 PolarHBondContact O-N 3.07Å; R46-I48 PolarHBondContact O-N 3.46Å
49L89.9Confident83.7Confident4 Ų480 Ų802%0.02144%0.44CS..SBendtrans-79.7132.5-177.6-70.8173.2000111.5L45 R46 H51 S52 T64 R67 A68 Y71L45-L49 HydrophobicContact CG-CD1 4.42Å; L45-L49 WeakPolarHBondContact O-CG 3.5Å; L45-L49 PolarHBondContact O-N 3.44Å; R46-L49 PolarHBondContact O-N 3.13Å; L49-H51 PolarHBondContact O-N 3.43Å; L49-S52 PolarHBondContact O-N 2.97Å; L49-S52 PolarHBondContact O-OG 2.97Å; L49-T64 HydrophobicContact CD1-CG2 3.86Å; L49-T64 WeakPolarHBondContact CD1-O 3.38Å; L49-R67 HydrophobicContact CD1-CB 4.03Å; L49-R67 HydrophobicContact CD2-CB 4.5Å; L49-A68 HydrophobicContact CD1-CB 4.48Å; L49-A68 VanDerWaalsContact CD2-CA 3.42Å; L49-A68 HydrophobicContact CD2-CB 3.87Å; L49-Y71 HydrophobicContact CD2-CD1 4.12Å
50P86.2Confident83.5Confident54 Ų5479.7 Ų79.735%0.35144%0.442SS..THydrogen-bonded Turntrans-52.9138172.8-24.632.8000112S52 Y71P50-S52 PolarHBondContact O-N 3.43Å; P50-S52 VanDerWaalsContact O-N 3.07Å; P50-Y71 HydrophobicContact CG-CD1 4.39Å; P50-Y71 HydrophobicContact CG-CD2 3.46Å; P50-Y71 VanDerWaalsContact CG-CD2 3.46Å; P50-Y71 HydrophobicContact CG-CE1 4.3Å; P50-Y71 HydrophobicContact CG-CE2 3.36Å; P50-Y71 HydrophobicContact CG-CG 4Å
51H73Confident83.3Confident142 Ų14280 Ų8066%0.65744%0.438SS*.THydrogen-bonded Turntrans68.8-14.2178.9-50.2-71.3000117.6L49 S53 C54 E55L49-H51 PolarHBondContact O-N 3.43Å; H51-S53 VanDerWaalsContact C-N 3.29Å; H51-S53 PolarHBondContact O-N 3.39Å; H51-C54 PolarHBondContact O-N 3.32Å; H51-E55 PolarHBondContact O-N 3.44Å
52S66.7Low83.2Confident21 Ų2181.6 Ų81.615%0.14744%0.438CS..THydrogen-bonded Turntrans-73.6-17.5-17769.50000114.6R46 L49 P50R46-S52 PolarHBondContact O-OG 3.29Å; L49-S52 PolarHBondContact O-N 2.97Å; L49-S52 PolarHBondContact O-OG 2.97Å; P50-S52 PolarHBondContact O-N 3.43Å; P50-S52 VanDerWaalsContact O-N 3.07Å
53S60.8Low83Confident104 Ų10484.8 Ų84.873%0.72745%0.452SS*.THydrogen-bonded Turntrans-88.2-19.8176.755.40000113.9H51H51-S53 VanDerWaalsContact C-N 3.29Å; H51-S53 PolarHBondContact O-N 3.39Å
54C60.8Low83Confident117 Ų11781.6 Ų81.679%0.79144%0.437SS*.THydrogen-bonded Turntrans-90.2-30.5-177.4-168.40000111.8H51 S56H51-C54 PolarHBondContact O-N 3.32Å; C54-S56 PolarHBondContact O-N 3.31Å
55E62.1Low83Confident123 Ų12380.4 Ų80.458%0.57543%0.434SS*.SBendtrans-85.5116.9178.2-148.6136.6-134.200108.7H51 I57H51-E55 PolarHBondContact O-N 3.44Å; E55-I57 PolarHBondContact O-N 2.98Å
56S66.2Low82.9Confident127 Ų12783.3 Ų83.389%0.88844%0.442SS*.SBendtrans-54-11.4177.860.40000114.4C54C54-S56 PolarHBondContact O-N 3.31Å
57I77.6Confident82.8Confident122 Ų12288 Ų8863%0.62646%0.459SS*.SBendtrans-92.6116.4-177.1-55.3175000109.6E55 L59E55-I57 PolarHBondContact O-N 2.98Å; I57-L59 PolarHBondContact O-N 2.99Å
58K83.4Confident83Confident132 Ų13283.6 Ų83.657%0.57444%0.439SS*.PPolyproline II helixtrans-62.9118.8172-176174.1-170.6146.80110.9E43E43-K58 IonicContact OE1-NZ 3.75Å; E43-K58 WeakPolarHBondContact OE2-CE 3.41Å; E43-K58 IonicContact OE2-NZ 2.71Å; E43-K58 PolarHBondContact OE2-NZ 3.01Å
59L87.6Confident83.1Confident24 Ų2482.3 Ų82.313%0.12643%0.427CS..PPolyproline II helixtrans-55.3139173.4-65.9174.4000111.9R46 I57 E63 R67R46-L59 PolarHBondContact NE-O 2.98Å; R46-L59 VanDerWaalsContact NE-O 3.07Å; R46-L59 PolarHBondContact NH2-O 3.33Å; I57-L59 PolarHBondContact O-N 2.99Å; L59-E63 HydrophobicContact CB-CB 4.35Å; L59-E63 HydrophobicContact CD2-CB 4.38Å; L59-R67 HydrophobicContact CD1-CG 4.39Å
60S92.5Very high83.2Confident47 Ų4784.2 Ų84.233%0.32944%0.437SS..PPolyproline II helixtrans-60.9164.1172.572.70000111.5I62 E63 T64S60-I62 VanDerWaalsContact C-N 3.28Å; S60-I62 PolarHBondContact O-N 3.07Å; S60-I62 WeakPolarHBondContact OG-CG2 3.49Å; S60-E63 WeakPolarHBondContact CB-OE2 3.4Å; S60-E63 PolarHBondContact N-OE2 2.63Å; S60-E63 PolarHBondContact O-N 3.34Å; S60-E63 WeakPolarHBondContact OG-CB 3.43Å; S60-E63 VanDerWaalsContact OG-CD 3.24Å; S60-E63 WeakPolarHBondContact OG-CG 3.37Å; S60-E63 PolarHBondContact OG-N 3.3Å; S60-E63 PolarHBondContact OG-OE2 2.92Å; S60-T64 WeakPolarHBondContact O-CB 3.49Å; S60-T64 PolarHBondContact O-N 3.44Å; S60-T64 PolarHBondContact O-OG1 3.38Å
61K93.3Very high83.5Confident112 Ų11285.2 Ų85.249%0.48743%0.434SS..Hα-helixtrans-57.8-43.8179.7-63.4-169.4170.9-1760111.5N39 L42 L65N39-K61 PolarHBondContact OD1-NZ 3.3Å; L42-K61 HydrophobicContact CD2-CB 4.13Å; L42-K61 HydrophobicContact CD2-CD 4.31Å; L42-K61 HydrophobicContact CD2-CG 3.69Å; K61-L65 WeakPolarHBondContact O-CG 3.1Å; K61-L65 PolarHBondContact O-N 3.03Å
62I94.2Very high84.5Confident92 Ų9283.1 Ų83.147%0.47243%0.427SS..Hα-helixtrans-70-40.3-179-175.859.7000111.9S60 L65 R66S60-I62 VanDerWaalsContact C-N 3.28Å; S60-I62 PolarHBondContact O-N 3.07Å; S60-I62 WeakPolarHBondContact OG-CG2 3.49Å; I62-L65 PolarHBondContact O-N 2.97Å; I62-R66 WeakPolarHBondContact O-CG 3.34Å; I62-R66 PolarHBondContact O-N 3.26Å
63E91.3Very high85.7Confident90 Ų9084.1 Ų84.142%0.42143%0.43SS..Hα-helixtrans-66.6-39.5177.4-71.3167.1130.600112L59 S60 L65 R66 R67L59-E63 HydrophobicContact CB-CB 4.35Å; L59-E63 HydrophobicContact CD2-CB 4.38Å; S60-E63 WeakPolarHBondContact CB-OE2 3.4Å; S60-E63 PolarHBondContact N-OE2 2.63Å; S60-E63 PolarHBondContact O-N 3.34Å; S60-E63 WeakPolarHBondContact OG-CB 3.43Å; S60-E63 VanDerWaalsContact OG-CD 3.24Å; S60-E63 WeakPolarHBondContact OG-CG 3.37Å; S60-E63 PolarHBondContact OG-N 3.3Å; S60-E63 PolarHBondContact OG-OE2 2.92Å; E63-L65 VanDerWaalsContact C-N 3.28Å; E63-L65 PolarHBondContact O-N 3.39Å; E63-R66 PolarHBondContact O-N 2.85Å; E63-R67 WeakPolarHBondContact O-CB 3.49Å; E63-R67 WeakPolarHBondContact O-CG 3.33Å; E63-R67 PolarHBondContact O-N 2.82Å
64T92.5Very high87Confident0 Ų081.8 Ų81.80%041%0.414CS..Hα-helixtrans-57.4-44.7175.9-54.20000110.4L42 L45 R46 L49 S60 A68L42-T64 HydrophobicContact CD1-CG2 3.71Å; L42-T64 HydrophobicContact CG-CG2 4.26Å; L45-T64 HydrophobicContact CD2-CG2 4.03Å; L45-T64 HydrophobicContact CG-CG2 4.08Å; R46-T64 HydrophobicContact CG-CG2 3.68Å; R46-T64 PolarHBondContact NE-OG1 3.34Å; R46-T64 PolarHBondContact NH2-OG1 3.07Å; L49-T64 HydrophobicContact CD1-CG2 3.86Å; L49-T64 WeakPolarHBondContact CD1-O 3.38Å; S60-T64 WeakPolarHBondContact O-CB 3.49Å; S60-T64 PolarHBondContact O-N 3.44Å; S60-T64 PolarHBondContact O-OG1 3.38Å; T64-A68 WeakPolarHBondContact O-CB 3.33Å; T64-A68 PolarHBondContact O-N 3.46Å
65L95.1Very high88.5Confident98 Ų9879.5 Ų79.551%0.51339%0.393SS..Hα-helixtrans-68.3-42.4178.5-65.3175.2000112.4L42 L45 K61 I62 E63 A68 R69L42-L65 HydrophobicContact CD1-CD2 4.48Å; L45-L65 HydrophobicContact CD2-CD2 4.41Å; K61-L65 WeakPolarHBondContact O-CG 3.1Å; K61-L65 PolarHBondContact O-N 3.03Å; I62-L65 PolarHBondContact O-N 2.97Å; E63-L65 VanDerWaalsContact C-N 3.28Å; E63-L65 PolarHBondContact O-N 3.39Å; L65-A68 PolarHBondContact O-N 3.03Å; L65-R69 PolarHBondContact O-N 2.95Å
66R92.3Very high89.9Confident109 Ų10977.6 Ų77.641%0.41139%0.386SS..Hα-helixtrans-59.8-50.1175.6-73.2175.1176.9173.4-1.8111.1I62 E63 A68 R69 D70I62-R66 WeakPolarHBondContact O-CG 3.34Å; I62-R66 PolarHBondContact O-N 3.26Å; E63-R66 PolarHBondContact O-N 2.85Å; R66-A68 VanDerWaalsContact C-N 3.31Å; R66-A68 PolarHBondContact O-N 3.37Å; R66-R69 WeakPolarHBondContact O-CB 3.24Å; R66-R69 PolarHBondContact O-N 2.99Å; R66-D70 PolarHBondContact O-N 2.85Å
67R91.2Very high90.9Very high116 Ų11673.4 Ų73.444%0.43835%0.354SS..Hα-helixtrans-61.7-37.1177.5-69.9-64.6-179.291.22.3112.4L49 L59 E63 D70 Y71L49-R67 HydrophobicContact CD1-CB 4.03Å; L49-R67 HydrophobicContact CD2-CB 4.5Å; L59-R67 HydrophobicContact CD1-CG 4.39Å; E63-R67 WeakPolarHBondContact O-CB 3.49Å; E63-R67 WeakPolarHBondContact O-CG 3.33Å; E63-R67 PolarHBondContact O-N 2.82Å; R67-D70 PolarHBondContact O-N 3.43Å; R67-Y71 VanDerWaalsContact O-CB 3.24Å; R67-Y71 WeakPolarHBondContact O-CB 3.5Å; R67-Y71 PolarHBondContact O-N 3.24Å
68A94.4Very high91.5Very high12 Ų1273.5 Ų73.510%0.09936%0.355CS..Hα-helixtrans-63.8-45.3175.300000113L45 L49 T64 L65 R66 Y71 I72L45-A68 HydrophobicContact CD1-CB 3.93Å; L45-A68 HydrophobicContact CD2-CB 3.94Å; L45-A68 HydrophobicContact CG-CB 4.27Å; L49-A68 HydrophobicContact CD1-CB 4.48Å; L49-A68 VanDerWaalsContact CD2-CA 3.42Å; L49-A68 HydrophobicContact CD2-CB 3.87Å; T64-A68 WeakPolarHBondContact O-CB 3.33Å; T64-A68 PolarHBondContact O-N 3.46Å; L65-A68 PolarHBondContact O-N 3.03Å; R66-A68 VanDerWaalsContact C-N 3.31Å; R66-A68 PolarHBondContact O-N 3.37Å; A68-Y71 PolarHBondContact O-N 3.43Å; A68-I72 VanDerWaalsContact O-CG1 3.3Å; A68-I72 WeakPolarHBondContact O-CG1 3.3Å; A68-I72 PolarHBondContact O-N 3.33Å
69R94.2Very high91.8Very high82 Ų8274.3 Ų74.331%0.30937%0.365SS..Hα-helixtrans-59.2-50.3173.5174.7-159.160.7-149-6110.9L65 R66 Y71 I72 I73L65-R69 PolarHBondContact O-N 2.95Å; R66-R69 WeakPolarHBondContact O-CB 3.24Å; R66-R69 PolarHBondContact O-N 2.99Å; R69-Y71 VanDerWaalsContact C-N 3.26Å; R69-Y71 PolarHBondContact O-N 3.05Å; R69-I72 PolarHBondContact O-N 3.41Å; R69-I73 HydrophobicContact CG-CD1 3.97Å; R69-I73 WeakPolarHBondContact O-CG1 3.47Å; R69-I73 PolarHBondContact O-N 3.36Å
70D90.9Very high91.9Very high44 Ų4479 Ų7924%0.23539%0.39CS..Hα-helixtrans-62.7-37.5-177.6-56.5-15.8000110.7R66 R67 I73 S74R66-D70 PolarHBondContact O-N 2.85Å; R67-D70 PolarHBondContact O-N 3.43Å; D70-I73 PolarHBondContact O-N 3.39Å; D70-S74 WeakPolarHBondContact O-CB 3.4Å; D70-S74 PolarHBondContact O-N 2.94Å
71Y93.8Very high91.1Very high75 Ų7580.3 Ų80.329%0.29439%0.39SS..Hα-helixtrans-64.5-47.7175.5-176.3-138.6000112.2L49 P50 R67 A68 R69 I73 S74 L75L49-Y71 HydrophobicContact CD2-CD1 4.12Å; P50-Y71 HydrophobicContact CG-CD1 4.39Å; P50-Y71 HydrophobicContact CG-CD2 3.46Å; P50-Y71 VanDerWaalsContact CG-CD2 3.46Å; P50-Y71 HydrophobicContact CG-CE1 4.3Å; P50-Y71 HydrophobicContact CG-CE2 3.36Å; P50-Y71 HydrophobicContact CG-CG 4Å; R67-Y71 VanDerWaalsContact O-CB 3.24Å; R67-Y71 WeakPolarHBondContact O-CB 3.5Å; R67-Y71 PolarHBondContact O-N 3.24Å; A68-Y71 PolarHBondContact O-N 3.43Å; R69-Y71 VanDerWaalsContact C-N 3.26Å; R69-Y71 PolarHBondContact O-N 3.05Å; Y71-I73 VanDerWaalsContact C-N 3.3Å; Y71-I73 PolarHBondContact O-N 3.32Å; Y71-S74 PolarHBondContact O-N 3.25Å; Y71-S74 PolarHBondContact O-OG 2.97Å; Y71-L75 HydrophobicContact CD1-CD1 4.25Å; Y71-L75 HydrophobicContact CD2-CD1 4.26Å; Y71-L75 HydrophobicContact CD2-CD2 4.48Å; Y71-L75 HydrophobicContact CD2-CG 4.05Å; Y71-L75 HydrophobicContact CE1-CD1 3.91Å; Y71-L75 HydrophobicContact CE2-CD1 3.9Å; Y71-L75 HydrophobicContact CE2-CD2 3.76Å; Y71-L75 HydrophobicContact CE2-CG 3.76Å; Y71-L75 HydrophobicContact CG-CD1 4.43Å; Y71-L75 WeakPolarHBondContact O-CG 3.33Å; Y71-L75 PolarHBondContact O-N 2.71Å
72I94Very high89.6Confident98 Ų9879 Ų7950%0.50340%0.395SS..Hα-helixtrans-56.2-45.8176.1-69.5164.7000110.8A68 R69 L75 I76A68-I72 VanDerWaalsContact O-CG1 3.3Å; A68-I72 WeakPolarHBondContact O-CG1 3.3Å; A68-I72 PolarHBondContact O-N 3.33Å; R69-I72 PolarHBondContact O-N 3.41Å; I72-L75 PolarHBondContact O-N 3.36Å; I72-I76 HydrophobicContact CG2-CD1 3.85Å; I72-I76 WeakPolarHBondContact O-CG1 3.37Å; I72-I76 PolarHBondContact O-N 3.28Å
73I90.8Very high88.1Confident43 Ų4380.1 Ų80.122%0.22141%0.408CS..Hα-helixtrans-62.8-46.2178.5-64165.5000110.6R69 D70 Y71 L75 I76 D77R69-I73 HydrophobicContact CG-CD1 3.97Å; R69-I73 WeakPolarHBondContact O-CG1 3.47Å; R69-I73 PolarHBondContact O-N 3.36Å; D70-I73 PolarHBondContact O-N 3.39Å; Y71-I73 VanDerWaalsContact C-N 3.3Å; Y71-I73 PolarHBondContact O-N 3.32Å; I73-L75 VanDerWaalsContact C-N 3.26Å; I73-L75 PolarHBondContact O-N 3.03Å; I73-I76 WeakPolarHBondContact O-CB 3.22Å; I73-I76 PolarHBondContact O-N 3.18Å; I73-I76 VanDerWaalsContact O-N 3.11Å; I73-D77 PolarHBondContact O-N 3.35Å
74S89.6Confident86.3Confident54 Ų5484.1 Ų84.138%0.37843%0.426SS..Hα-helixtrans-60.3-35.2178.674.70000113.2D70 Y71 L78D70-S74 WeakPolarHBondContact O-CB 3.4Å; D70-S74 PolarHBondContact O-N 2.94Å; Y71-S74 PolarHBondContact O-N 3.25Å; Y71-S74 PolarHBondContact O-OG 2.97Å; S74-L78 WeakPolarHBondContact O-CB 3.26Å; S74-L78 PolarHBondContact O-N 2.91Å
75L90.8Very high84.5Confident69 Ų6987.1 Ų87.136%0.36145%0.447SS..Hα-helixtrans-69.8-41.9175.5-69.4176.1000111.2Y71 I72 I73 D77 L78 L79Y71-L75 HydrophobicContact CD1-CD1 4.25Å; Y71-L75 HydrophobicContact CD2-CD1 4.26Å; Y71-L75 HydrophobicContact CD2-CD2 4.48Å; Y71-L75 HydrophobicContact CD2-CG 4.05Å; Y71-L75 HydrophobicContact CE1-CD1 3.91Å; Y71-L75 HydrophobicContact CE2-CD1 3.9Å; Y71-L75 HydrophobicContact CE2-CD2 3.76Å; Y71-L75 HydrophobicContact CE2-CG 3.76Å; Y71-L75 HydrophobicContact CG-CD1 4.43Å; Y71-L75 WeakPolarHBondContact O-CG 3.33Å; Y71-L75 PolarHBondContact O-N 2.71Å; I72-L75 PolarHBondContact O-N 3.36Å; I73-L75 VanDerWaalsContact C-N 3.26Å; I73-L75 PolarHBondContact O-N 3.03Å; L75-D77 VanDerWaalsContact C-N 3.33Å; L75-L78 PolarHBondContact O-N 3.34Å; L75-L79 VanDerWaalsContact O-CG 3.26Å; L75-L79 WeakPolarHBondContact O-CG 3.14Å; L75-L79 PolarHBondContact O-N 2.87Å
76I92.3Very high82.4Confident84 Ų8490.1 Ų90.143%0.43146%0.464SS..Hα-helixtrans-61.3-44.7174.7-68.7165.7000110.2I72 I73 L79 N80I72-I76 HydrophobicContact CG2-CD1 3.85Å; I72-I76 WeakPolarHBondContact O-CG1 3.37Å; I72-I76 PolarHBondContact O-N 3.28Å; I73-I76 WeakPolarHBondContact O-CB 3.22Å; I73-I76 PolarHBondContact O-N 3.18Å; I73-I76 VanDerWaalsContact O-N 3.11Å; I76-L79 PolarHBondContact O-N 3.11Å; I76-N80 WeakPolarHBondContact CG2-ND2 3.33Å; I76-N80 WeakPolarHBondContact O-CB 3.28Å; I76-N80 PolarHBondContact O-N 2.99Å; I76-N80 PolarHBondContact O-ND2 3.21Å; I76-N80 VanDerWaalsContact O-ND2 3.15Å
77D87.1Confident80.6Confident39 Ų3992 Ų9221%0.20948%0.477CS..Hα-helixtrans-63.9-42.8176.9-71-22.5000111.7I73 L75 L79 N80 K81 I89I73-D77 PolarHBondContact O-N 3.35Å; L75-D77 VanDerWaalsContact C-N 3.33Å; D77-L79 VanDerWaalsContact C-N 3.27Å; D77-L79 PolarHBondContact O-N 3.2Å; D77-N80 PolarHBondContact O-N 3.27Å; D77-N80 VanDerWaalsContact O-N 3.17Å; D77-K81 VanDerWaalsContact O-CB 3.28Å; D77-K81 WeakPolarHBondContact O-CB 3.43Å; D77-K81 WeakPolarHBondContact O-CG 3.47Å; D77-K81 PolarHBondContact O-N 3.28Å; D77-I89 VanDerWaalsContact OD2-CD1 3.22Å; D77-I89 WeakPolarHBondContact OD2-CD1 3.49Å
78L89.8Confident78.8Confident123 Ų12392.3 Ų92.364%0.64450%0.495SS*.Hα-helixtrans-60.2-38.4176.3-178.764.3000111.9S74 L75S74-L78 WeakPolarHBondContact O-CB 3.26Å; S74-L78 PolarHBondContact O-N 2.91Å; L75-L78 PolarHBondContact O-N 3.34Å
79L91.3Very high76.9Confident150 Ų15096.1 Ų96.179%0.78551%0.512SS*.Hα-helixtrans-71.6-31.1176.4-69172.3000112.8L75 I76 D77L75-L79 VanDerWaalsContact O-CG 3.26Å; L75-L79 WeakPolarHBondContact O-CG 3.14Å; L75-L79 PolarHBondContact O-N 2.87Å; I76-L79 PolarHBondContact O-N 3.11Å; D77-L79 VanDerWaalsContact C-N 3.27Å; D77-L79 PolarHBondContact O-N 3.2Å
80N89.5Confident75Confident121 Ų12198 Ų9865%0.64753%0.528SS*.Hα-helixtrans-87.6-24.3179.6-71.7-34.5000113.8I76 D77 S82I76-N80 WeakPolarHBondContact CG2-ND2 3.33Å; I76-N80 WeakPolarHBondContact O-CB 3.28Å; I76-N80 PolarHBondContact O-N 2.99Å; I76-N80 PolarHBondContact O-ND2 3.21Å; I76-N80 VanDerWaalsContact O-ND2 3.15Å; D77-N80 PolarHBondContact O-N 3.27Å; D77-N80 VanDerWaalsContact O-N 3.17Å; N80-S82 PolarHBondContact O-N 3.14Å
81K74.9Confident73.2Confident75 Ų7598.7 Ų98.733%0.32653%0.53SS..  trans-71.195.7177.6-77.3171.1-177.5-125.70109.2D77 S85 Q87D77-K81 VanDerWaalsContact O-CB 3.28Å; D77-K81 WeakPolarHBondContact O-CB 3.43Å; D77-K81 WeakPolarHBondContact O-CG 3.47Å; D77-K81 PolarHBondContact O-N 3.28Å; K81-S85 PolarHBondContact NZ-O 2.95Å; K81-Q87 PolarHBondContact NZ-O 3.17Å; K81-Q87 VanDerWaalsContact NZ-O 3.14Å
82S61.9Low71.3Confident86 Ų86101.1 Ų101.160%0.60155%0.548SS*.  trans-47.4139.3149.8179.60000108.2N80 H84N80-S82 PolarHBondContact O-N 3.14Å; S82-H84 PolarHBondContact O-N 3.25Å
83P62.1Low69.1Low115 Ų115100.7 Ų100.775%0.74755%0.554SS**THydrogen-bonded Turntrans-57.119.2-161.616.7-31.8000119.3
84H54.4Low67.1Low173 Ų173103.7 Ų103.780%0.80157%0.569SS**THydrogen-bonded Turntrans-131.112.5-168.5-62.2-53.2000116.8S82S82-H84 PolarHBondContact O-N 3.25Å
85S54.3Low65.4Low63 Ų63105.1 Ų105.144%0.44157%0.572SS.*  trans-125.887.5177.861.80000115.2K81 Q87K81-S85 PolarHBondContact NZ-O 2.95Å; S85-Q87 PolarHBondContact O-N 2.79Å
86N50.9Low63.3Low162 Ų162110 Ų11087%0.86659%0.593SS**  trans-82.486.6169.3-69.7-30.2000110.7
87Q53.6Low60.9Low148 Ų148114.5 Ų114.569%0.69261%0.612SS**  trans-132124.3163.9-71.5-81.8-24.200108.4K81 S85K81-Q87 PolarHBondContact NZ-O 3.17Å; K81-Q87 VanDerWaalsContact NZ-O 3.14Å; S85-Q87 PolarHBondContact O-N 2.79Å
88P53.8Low58.9Low123 Ų123121.6 Ų121.680%0.79964%0.644SS**  trans-75.4124.7172.829-29.8000109.7
89I54.8Low56.7Low92 Ų92121.3 Ų121.347%0.47265%0.652SS.*  trans-79.9122.2177.7-55.3-176.6000108.7D77 H91D77-I89 VanDerWaalsContact OD2-CD1 3.22Å; D77-I89 WeakPolarHBondContact OD2-CD1 3.49Å; I89-H91 PolarHBondContact O-CD2 2.99Å; I89-H91 PolarHBondContact O-N 3.38Å
90N54.1Low54.3Low121 Ų121129.4 Ų129.465%0.64767%0.672SS**  trans-77100.7177.7-176.9-7.1000110N92N90-N92 VanDerWaalsContact C-N 3.27Å; N90-N92 PolarHBondContact O-N 3.15Å
91H54.4Low52.5Low58 Ų58129.9 Ų129.927%0.26967%0.674SS.*G310 helixtrans-80.914.6-169.8-74.1-65.2000116.3I89 S93I89-H91 PolarHBondContact O-CD2 2.99Å; I89-H91 PolarHBondContact O-N 3.38Å; H91-S93 VanDerWaalsContact C-N 3.28Å; H91-S93 PolarHBondContact O-N 2.63Å
92N52.6Low51.4Low126 Ų126132.7 Ų132.767%0.67469%0.692SS**G310 helixtrans-78-3.8179.9-73.2-21.9000114.7N90N90-N92 VanDerWaalsContact C-N 3.27Å; N90-N92 PolarHBondContact O-N 3.15Å
93S48.4Very low50.8Low89 Ų89135.3 Ų135.362%0.62270%0.697SS**G310 helixtrans-87.8-12.2-17251.40000116.5H91H91-S93 VanDerWaalsContact C-N 3.28Å; H91-S93 PolarHBondContact O-N 2.63Å
94I49.5Very low50.1Low107 Ų107136.5 Ų136.555%0.54969%0.694SS.*SBendtrans-95.2-15.5-173.8-63.7167.3000112.8
95I52.2Low49.8Very low84 Ų84134.3 Ų134.343%0.43169%0.687SS.*G310 helixtrans-90.4-13.8-173-61.9174.6000112.8Q97I95-Q97 PolarHBondContact O-N 2.96Å
96E46.9Very low49.5Very low170 Ų170139 Ų13979%0.79470%0.704SS**G310 helixtrans-84.81.3-176.1-66.5-172.1166.600115
97Q41.7Very low49.4Very low180 Ų180137.4 Ų137.484%0.84169%0.692SS**G310 helixtrans-103.3-1.9-175.4-63.8-151.9-38.500116.3I95I95-Q97 PolarHBondContact O-N 2.96Å
98E45.8Very low49.1Very low188 Ų188136.5 Ų136.588%0.87969%0.692SS**SBendtrans-109.521.4-175.9-71.6-170.4155.500115.4
99S42.7Very low48.7Very low117 Ų117137.7 Ų137.782%0.81868%0.684SS**  trans-115.838-178.2-1620000115.3
100R41.7Very low48.2Very low320 Ų320141.8 Ų141.8100%1.20870%0.703SS**  trans-118.20165.1-75-171.4-178.6-132.81.2111.5

Retrieved 100 of 100 residues in 29.9 ms (Link to these results)