A0A5K4FAW3_SCHMA Loading...

DUF1604 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FAW3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 200 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
1M40.8Very low59.6Low245 Ų245130.7 Ų130.7100%1.20767%0.665SS**  0101.90-79.1179.2145.300106.9
2S45.6Very low61.7Low106 Ų106127 Ų12774%0.74164%0.643SS**  trans-62.7133177.2460000109.2L4S2-L4 PolarHBondContact O-N 2.88Å
3R41.4Very low63.6Low195 Ų195128.2 Ų128.274%0.73664%0.641SS**  trans-53.9110.9168.8-59.4179.8-168.5-153.83.5107.4Y5R3-Y5 PolarHBondContact O-N 2.95Å
4L50.6Low65.4Low170 Ų170124.4 Ų124.489%0.8963%0.627SS**  trans-73.768.6167-79.9150.8000107.2S2S2-L4 PolarHBondContact O-N 2.88Å
5Y52.4Low66.8Low178 Ų178121.1 Ų121.170%0.69861%0.612SS**  trans-51.3146.9143.2-152.2-98.1000105.8R3 A7R3-Y5 PolarHBondContact O-N 2.95Å; Y5-A7 PolarHBondContact O-N 2.89Å
6P55.6Low68.4Low54 Ų54120.7 Ų120.735%0.35161%0.607SS.*SBendtrans-64.380.2167.827.6-31.2000107.1S11 Q12P6-S11 VanDerWaalsContact CB-OG 3.22Å; P6-S11 WeakPolarHBondContact CB-OG 3.2Å; P6-Q12 WeakPolarHBondContact O-CG 3.27Å; P6-Q12 PolarHBondContact O-NE2 3.32Å
7A56.4Low69.9Low77 Ų77119 Ų11964%0.63660%0.597SS**  trans-87.3-3.217400000110.1Y5 T9Y5-A7 PolarHBondContact O-N 2.89Å; A7-T9 PolarHBondContact O-N 2.92Å
8D74.9Confident71Confident93 Ų93119 Ų11950%0.49759%0.594SS.*  trans-71.6112.3166.3-175.14.6000108.4R10 S11 Q12D8-R10 PolarHBondContact O-N 2.91Å; D8-R10 VanDerWaalsContact O-N 3.09Å; D8-R10 WeakPolarHBondContact OD1-CB 3.45Å; D8-R10 PolarHBondContact OD1-N 3.16Å; D8-R10 VanDerWaalsContact OD1-N 3.08Å; D8-S11 PolarHBondContact O-N 3.09Å; D8-S11 PolarHBondContact O-OG 3.01Å; D8-Q12 PolarHBondContact O-N 3.34Å; D8-Q12 VanDerWaalsContact O-N 3.1Å
9T82.3Confident72.1Confident96 Ų96120.6 Ų120.659%0.58959%0.594SS**Hα-helixtrans-52.5-30.5176.354.80000112.1A7 K13A7-T9 PolarHBondContact O-N 2.92Å; T9-K13 WeakPolarHBondContact O-CB 3.32Å; T9-K13 WeakPolarHBondContact O-CG 3.45Å; T9-K13 PolarHBondContact O-N 2.86Å
10R76.9Confident73.2Confident187 Ų187120.1 Ų120.171%0.70659%0.59SS**Hα-helixtrans-64.6-46.5174177-177.7150.9176.6-7.3111.5D8 K13 V14D8-R10 PolarHBondContact O-N 2.91Å; D8-R10 VanDerWaalsContact O-N 3.09Å; D8-R10 WeakPolarHBondContact OD1-CB 3.45Å; D8-R10 PolarHBondContact OD1-N 3.16Å; D8-R10 VanDerWaalsContact OD1-N 3.08Å; R10-K13 PolarHBondContact O-N 3.08Å; R10-V14 VanDerWaalsContact O-CG2 3.31Å; R10-V14 WeakPolarHBondContact O-CG2 3.45Å; R10-V14 PolarHBondContact O-N 3.15Å
11S78.8Confident74.3Confident37 Ų37119.9 Ų119.926%0.25959%0.586SS.*Hα-helixtrans-65.6-38.3179.467.10000112.4P6 D8 V14 L15P6-S11 VanDerWaalsContact CB-OG 3.22Å; P6-S11 WeakPolarHBondContact CB-OG 3.2Å; D8-S11 PolarHBondContact O-N 3.09Å; D8-S11 PolarHBondContact O-OG 3.01Å; S11-V14 PolarHBondContact O-N 2.58Å; S11-L15 PolarHBondContact O-N 3.32Å; S11-L15 VanDerWaalsContact O-N 3.11Å
12Q84.3Confident76.8Confident86 Ų86112.9 Ų112.940%0.40255%0.55SS.*Hα-helixtrans-62.7-46.4174.4-66.1178-5.600111.5P6 D8 V14 L15 E16P6-Q12 WeakPolarHBondContact O-CG 3.27Å; P6-Q12 PolarHBondContact O-NE2 3.32Å; D8-Q12 PolarHBondContact O-N 3.34Å; D8-Q12 VanDerWaalsContact O-N 3.1Å; Q12-V14 VanDerWaalsContact C-N 3.33Å; Q12-V14 PolarHBondContact O-N 3.45Å; Q12-L15 PolarHBondContact O-N 3.46Å; Q12-E16 WeakPolarHBondContact O-CB 3.38Å; Q12-E16 PolarHBondContact O-N 3.05Å
13K87.2Confident79Confident142 Ų142111.6 Ų111.662%0.61754%0.538SS*.Hα-helixtrans-61.7-38176.5-78.1-176.3176.8-172.80113.1T9 R10 L15 E16 E17T9-K13 WeakPolarHBondContact O-CB 3.32Å; T9-K13 WeakPolarHBondContact O-CG 3.45Å; T9-K13 PolarHBondContact O-N 2.86Å; R10-K13 PolarHBondContact O-N 3.08Å; K13-L15 VanDerWaalsContact C-N 3.35Å; K13-E16 PolarHBondContact O-N 2.67Å; K13-E17 VanDerWaalsContact O-CB 3.3Å; K13-E17 WeakPolarHBondContact O-CB 3.49Å; K13-E17 PolarHBondContact O-N 3.36Å
14V88.5Confident81.5Confident75 Ų75106.9 Ų106.946%0.45553%0.526SS..Hα-helixtrans-64.5-41.3176.3169.80000111R10 S11 Q12 Q18R10-V14 VanDerWaalsContact O-CG2 3.31Å; R10-V14 WeakPolarHBondContact O-CG2 3.45Å; R10-V14 PolarHBondContact O-N 3.15Å; S11-V14 PolarHBondContact O-N 2.58Å; Q12-V14 VanDerWaalsContact C-N 3.33Å; Q12-V14 PolarHBondContact O-N 3.45Å; V14-Q18 WeakPolarHBondContact O-CB 3.23Å; V14-Q18 PolarHBondContact O-N 2.82Å
15L87.1Confident83.3Confident76 Ų76102.4 Ų102.440%0.39851%0.509SS..Hα-helixtrans-66.4-45.6175.4-74.5168.6000111.6S11 Q12 K13 E17 Q18 Y19S11-L15 PolarHBondContact O-N 3.32Å; S11-L15 VanDerWaalsContact O-N 3.11Å; Q12-L15 PolarHBondContact O-N 3.46Å; K13-L15 VanDerWaalsContact C-N 3.35Å; L15-E17 PolarHBondContact O-N 3.5Å; L15-Q18 WeakPolarHBondContact O-CB 3.32Å; L15-Q18 PolarHBondContact O-N 3.2Å; L15-Q18 VanDerWaalsContact O-N 3.17Å; L15-Y19 WeakPolarHBondContact O-CD2 3.23Å; L15-Y19 PolarHBondContact O-N 3.21Å
16E91.8Very high85.2Confident114 Ų11499.1 Ų99.153%0.53350%0.5SS..Hα-helixtrans-54.9-50.9174.9-176.3176-157.500111.2Q12 K13 Q18 Y19 E20Q12-E16 WeakPolarHBondContact O-CB 3.38Å; Q12-E16 PolarHBondContact O-N 3.05Å; K13-E16 PolarHBondContact O-N 2.67Å; E16-Q18 VanDerWaalsContact C-N 3.28Å; E16-Q18 PolarHBondContact O-N 3.02Å; E16-Y19 PolarHBondContact O-N 2.88Å; E16-E20 WeakPolarHBondContact O-CG 3.38Å; E16-E20 PolarHBondContact O-N 3.36Å
17E93.5Very high87Confident92 Ų92101.1 Ų101.143%0.4351%0.508SS..Hα-helixtrans-58.2-39.2176.6-177.7-174.9179.500112.1K13 L15 K21K13-E17 VanDerWaalsContact O-CB 3.3Å; K13-E17 WeakPolarHBondContact O-CB 3.49Å; K13-E17 PolarHBondContact O-N 3.36Å; L15-E17 PolarHBondContact O-N 3.5Å; E17-K21 HydrophobicContact CG-CD 4.19Å; E17-K21 WeakPolarHBondContact O-CB 3.38Å; E17-K21 VanDerWaalsContact O-CG 3.26Å; E17-K21 WeakPolarHBondContact O-CG 3.37Å; E17-K21 PolarHBondContact O-N 2.86Å; E17-K21 WeakPolarHBondContact OE1-CE 3.4Å; E17-K21 IonicContact OE1-NZ 2.71Å; E17-K21 PolarHBondContact OE1-NZ 3.14Å
18Q90.5Very high88.7Confident119 Ų119102 Ų10256%0.55650%0.502SS*.Hα-helixtrans-64.9-45.8178.2-170.6178.8-52.800111.5V14 L15 E16 K21 E22V14-Q18 WeakPolarHBondContact O-CB 3.23Å; V14-Q18 PolarHBondContact O-N 2.82Å; L15-Q18 WeakPolarHBondContact O-CB 3.32Å; L15-Q18 PolarHBondContact O-N 3.2Å; L15-Q18 VanDerWaalsContact O-N 3.17Å; E16-Q18 VanDerWaalsContact C-N 3.28Å; E16-Q18 PolarHBondContact O-N 3.02Å; Q18-K21 PolarHBondContact O-N 2.89Å; Q18-E22 PolarHBondContact O-N 3.31Å
19Y91.9Very high89.3Confident150 Ų150102.9 Ų102.959%0.58850%0.498SS*.Hα-helixtrans-64.8-41.6177-76.2-65.5000112.2L15 E16 E22 T23L15-Y19 WeakPolarHBondContact O-CD2 3.23Å; L15-Y19 PolarHBondContact O-N 3.21Å; E16-Y19 PolarHBondContact O-N 2.88Å; Y19-E22 PolarHBondContact O-N 2.81Å; Y19-T23 WeakPolarHBondContact O-CB 3.29Å; Y19-T23 PolarHBondContact O-N 2.85Å; Y19-T23 PolarHBondContact O-OG1 3.24Å
20E94.6Very high89.7Confident109 Ų109103.8 Ų103.851%0.50949%0.494SS..Hα-helixtrans-61.3-46.2176.2-73.2-176.2161.900111.7E16 E22 T23 I24E16-E20 WeakPolarHBondContact O-CG 3.38Å; E16-E20 PolarHBondContact O-N 3.36Å; E20-E22 VanDerWaalsContact C-N 3.34Å; E20-E22 PolarHBondContact O-N 3.35Å; E20-T23 PolarHBondContact O-N 3Å; E20-I24 WeakPolarHBondContact O-CB 3.48Å; E20-I24 VanDerWaalsContact O-CG1 3.24Å; E20-I24 WeakPolarHBondContact O-CG1 2.88Å; E20-I24 PolarHBondContact O-N 3.29Å
21K95.5Very high90.3Very high116 Ų11698.5 Ų98.550%0.50448%0.479SS..Hα-helixtrans-61.2-42.1177.7-77.9174.6-177.6171.20112.5E17 Q18 S25E17-K21 HydrophobicContact CG-CD 4.19Å; E17-K21 WeakPolarHBondContact O-CB 3.38Å; E17-K21 VanDerWaalsContact O-CG 3.26Å; E17-K21 WeakPolarHBondContact O-CG 3.37Å; E17-K21 PolarHBondContact O-N 2.86Å; E17-K21 WeakPolarHBondContact OE1-CE 3.4Å; E17-K21 IonicContact OE1-NZ 2.71Å; E17-K21 PolarHBondContact OE1-NZ 3.14Å; Q18-K21 PolarHBondContact O-N 2.89Å; K21-S25 VanDerWaalsContact O-CB 3.28Å; K21-S25 WeakPolarHBondContact O-CB 3.39Å; K21-S25 PolarHBondContact O-N 3.06Å; K21-S25 PolarHBondContact O-OG 3.29Å
22E94Very high90.7Very high99 Ų9999.5 Ų99.546%0.46348%0.479SS..Hα-helixtrans-63.5-49.1176.4-171.1-177.8170.900110.5Q18 Y19 E20 I24 S25 Q26Q18-E22 PolarHBondContact O-N 3.31Å; Y19-E22 PolarHBondContact O-N 2.81Å; E20-E22 VanDerWaalsContact C-N 3.34Å; E20-E22 PolarHBondContact O-N 3.35Å; E22-I24 PolarHBondContact O-N 3.15Å; E22-S25 WeakPolarHBondContact O-CB 3.35Å; E22-S25 PolarHBondContact O-N 3.32Å; E22-S25 VanDerWaalsContact O-N 3.12Å; E22-Q26 HydrophobicContact CG-CG 4.44Å; E22-Q26 WeakPolarHBondContact O-CG 3.23Å; E22-Q26 PolarHBondContact O-N 2.92Å; E22-Q26 PolarHBondContact OE1-NE2 3.17Å
23T91.3Very high90.7Very high79 Ų7996.5 Ų96.549%0.48547%0.468SS..Hα-helixtrans-58.9-47.6-179.9-52.60000111.3Y19 E20 S25 Q26 L27Y19-T23 WeakPolarHBondContact O-CB 3.29Å; Y19-T23 PolarHBondContact O-N 2.85Å; Y19-T23 PolarHBondContact O-OG1 3.24Å; E20-T23 PolarHBondContact O-N 3Å; T23-S25 VanDerWaalsContact C-N 3.33Å; T23-S25 PolarHBondContact O-N 2.73Å; T23-Q26 PolarHBondContact O-N 3.45Å; T23-L27 WeakPolarHBondContact O-CB 3.28Å; T23-L27 PolarHBondContact O-N 2.62Å
24I94.2Very high90.5Very high95 Ų9593.8 Ų93.849%0.48746%0.457SS..Hα-helixtrans-60.9-42.7176.4-69.3165.9000110.8E20 E22 L27 N28E20-I24 WeakPolarHBondContact O-CB 3.48Å; E20-I24 VanDerWaalsContact O-CG1 3.24Å; E20-I24 WeakPolarHBondContact O-CG1 2.88Å; E20-I24 PolarHBondContact O-N 3.29Å; E22-I24 PolarHBondContact O-N 3.15Å; I24-L27 PolarHBondContact O-N 2.84Å; I24-N28 WeakPolarHBondContact CG2-ND2 3.17Å; I24-N28 WeakPolarHBondContact O-CB 3.17Å; I24-N28 VanDerWaalsContact O-CG 3.23Å; I24-N28 PolarHBondContact O-N 3.21Å; I24-N28 PolarHBondContact O-ND2 3.01Å
25S88.8Confident90.4Very high76 Ų7696.2 Ų96.253%0.53146%0.463SS..Hα-helixtrans-64.5-43179-62.30000112K21 E22 T23 W29K21-S25 VanDerWaalsContact O-CB 3.28Å; K21-S25 WeakPolarHBondContact O-CB 3.39Å; K21-S25 PolarHBondContact O-N 3.06Å; K21-S25 PolarHBondContact O-OG 3.29Å; E22-S25 WeakPolarHBondContact O-CB 3.35Å; E22-S25 PolarHBondContact O-N 3.32Å; E22-S25 VanDerWaalsContact O-N 3.12Å; T23-S25 VanDerWaalsContact C-N 3.33Å; T23-S25 PolarHBondContact O-N 2.73Å; S25-W29 VanDerWaalsContact O-CB 3.31Å; S25-W29 WeakPolarHBondContact O-CB 3.45Å; S25-W29 PolarHBondContact O-N 3.47Å
26Q91.2Very high90Very high109 Ų10993.3 Ų93.351%0.50945%0.45SS..Hα-helixtrans-61.9-43.4175-69.9178.512.700111.5E22 T23 W29 F30E22-Q26 HydrophobicContact CG-CG 4.44Å; E22-Q26 WeakPolarHBondContact O-CG 3.23Å; E22-Q26 PolarHBondContact O-N 2.92Å; E22-Q26 PolarHBondContact OE1-NE2 3.17Å; T23-Q26 PolarHBondContact O-N 3.45Å; Q26-W29 PolarHBondContact O-N 3.24Å; Q26-F30 WeakPolarHBondContact O-CB 3.43Å; Q26-F30 PolarHBondContact O-N 3.01Å
27L93.8Very high89.4Confident97 Ų9794.3 Ų94.351%0.50845%0.453SS..Hα-helixtrans-66.6-44.5-179.8-144.8157.3000111.2T23 I24 W29 F30 L31T23-L27 WeakPolarHBondContact O-CB 3.28Å; T23-L27 PolarHBondContact O-N 2.62Å; I24-L27 PolarHBondContact O-N 2.84Å; L27-W29 PolarHBondContact O-N 3.49Å; L27-F30 PolarHBondContact O-N 3.16Å; L27-L31 HydrophobicContact CD2-CD1 3.9Å; L27-L31 HydrophobicContact CD2-CG 4.18Å; L27-L31 WeakPolarHBondContact O-CG 3.39Å; L27-L31 PolarHBondContact O-N 3.17Å
28N92.2Very high88.6Confident95 Ų9595.8 Ų95.851%0.50846%0.464SS..Hα-helixtrans-60.7-44.7173.6-74.7-26.1000111.8I24 F30 L31 K32I24-N28 WeakPolarHBondContact CG2-ND2 3.17Å; I24-N28 WeakPolarHBondContact O-CB 3.17Å; I24-N28 VanDerWaalsContact O-CG 3.23Å; I24-N28 PolarHBondContact O-N 3.21Å; I24-N28 PolarHBondContact O-ND2 3.01Å; N28-F30 VanDerWaalsContact C-N 3.34Å; N28-F30 PolarHBondContact O-N 3.15Å; N28-L31 PolarHBondContact O-N 3.44Å; N28-K32 WeakPolarHBondContact O-CB 3.42Å; N28-K32 PolarHBondContact O-N 3.46Å
29W87.3Confident87.9Confident111 Ų11196.6 Ų96.642%0.4247%0.471SS..Hα-helixtrans-60.7-43.3175.8175.9-108.8000111.9S25 Q26 L27 K32 C33 P48 I51 V52S25-W29 VanDerWaalsContact O-CB 3.31Å; S25-W29 WeakPolarHBondContact O-CB 3.45Å; S25-W29 PolarHBondContact O-N 3.47Å; Q26-W29 PolarHBondContact O-N 3.24Å; L27-W29 PolarHBondContact O-N 3.49Å; W29-K32 WeakPolarHBondContact O-CB 3.43Å; W29-K32 PolarHBondContact O-N 3.4Å; W29-C33 VanDerWaalsContact CE2-SG 3.54Å; W29-C33 PolarHBondContact O-N 3.17Å; W29-C33 PolarHBondContact O-SG 3.1Å; W29-P48 HydrophobicContact CH2-CB 4.33Å; W29-P48 HydrophobicContact CZ2-CB 4.47Å; W29-I51 HydrophobicContact CE3-CG2 4.21Å; W29-I51 HydrophobicContact CH2-CB 3.83Å; W29-I51 HydrophobicContact CH2-CD1 4.12Å; W29-I51 HydrophobicContact CH2-CG2 3.7Å; W29-I51 HydrophobicContact CZ2-CD1 4.15Å; W29-I51 HydrophobicContact CZ2-CG2 4.47Å; W29-I51 HydrophobicContact CZ3-CB 4.1Å; W29-I51 HydrophobicContact CZ3-CG2 3.55Å; W29-V52 HydrophobicContact CH2-CG2 4.36Å; W29-V52 HydrophobicContact CZ3-CG2 4.21Å
30F90.7Very high86.6Confident116 Ų11692.8 Ų92.851%0.50946%0.46SS..Hα-helixtrans-63.2-46.3177.9174.9-104.1000112.5Q26 L27 N28 K32 C33 Q34Q26-F30 WeakPolarHBondContact O-CB 3.43Å; Q26-F30 PolarHBondContact O-N 3.01Å; L27-F30 PolarHBondContact O-N 3.16Å; N28-F30 VanDerWaalsContact C-N 3.34Å; N28-F30 PolarHBondContact O-N 3.15Å; F30-K32 VanDerWaalsContact C-N 3.28Å; F30-K32 PolarHBondContact O-N 2.7Å; F30-C33 WeakPolarHBondContact O-CB 3.46Å; F30-C33 PolarHBondContact O-N 3.24Å; F30-Q34 HydrophobicContact CE1-CG 4.2Å; F30-Q34 HydrophobicContact CE2-CG 4.49Å; F30-Q34 HydrophobicContact CZ-CG 4.19Å; F30-Q34 PolarHBondContact O-N 3.05Å
31L89.7Confident85Confident76 Ų7695.9 Ų95.940%0.39847%0.474SS..Hα-helixtrans-59.8-41.1174.8-71175.7000111.3L27 N28 C33 Q34 Q35L27-L31 HydrophobicContact CD2-CD1 3.9Å; L27-L31 HydrophobicContact CD2-CG 4.18Å; L27-L31 WeakPolarHBondContact O-CG 3.39Å; L27-L31 PolarHBondContact O-N 3.17Å; N28-L31 PolarHBondContact O-N 3.44Å; L31-C33 PolarHBondContact O-N 3.16Å; L31-Q34 PolarHBondContact O-N 2.88Å; L31-Q35 WeakPolarHBondContact O-CG 3.39Å; L31-Q35 PolarHBondContact O-N 3.26Å
32K87Confident83.2Confident57 Ų5796.7 Ų96.725%0.24848%0.484CS..Hα-helixtrans-62.3-42.5175.5-155.6179.4-171-172.90112.2N28 W29 F30 Q35 A36 I51 D53N28-K32 WeakPolarHBondContact O-CB 3.42Å; N28-K32 PolarHBondContact O-N 3.46Å; W29-K32 WeakPolarHBondContact O-CB 3.43Å; W29-K32 PolarHBondContact O-N 3.4Å; F30-K32 VanDerWaalsContact C-N 3.28Å; F30-K32 PolarHBondContact O-N 2.7Å; K32-Q35 PolarHBondContact O-N 2.71Å; K32-A36 PolarHBondContact O-N 3.16Å; K32-I51 HydrophobicContact CB-CG2 4.13Å; K32-I51 HydrophobicContact CD-CG2 3.69Å; K32-I51 WeakPolarHBondContact CD-O 3.47Å; K32-I51 WeakPolarHBondContact CE-O 3.35Å; K32-I51 HydrophobicContact CG-CG2 3.69Å; K32-I51 PolarHBondContact NZ-O 3.13Å; K32-D53 WeakPolarHBondContact CE-OD2 3.39Å; K32-D53 IonicContact NZ-OD1 2.88Å; K32-D53 IonicContact NZ-OD2 3.94Å; K32-D53 PolarHBondContact NZ-OD2 3.2Å
33C83.6Confident81.6Confident24 Ų24100.5 Ų100.516%0.16251%0.508CS..Hα-helixtrans-63-39.5173.7-67.70000112.4W29 F30 L31 A36 K37W29-C33 VanDerWaalsContact CE2-SG 3.54Å; W29-C33 PolarHBondContact O-N 3.17Å; W29-C33 PolarHBondContact O-SG 3.1Å; F30-C33 WeakPolarHBondContact O-CB 3.46Å; F30-C33 PolarHBondContact O-N 3.24Å; L31-C33 PolarHBondContact O-N 3.16Å; C33-A36 PolarHBondContact O-N 3.17Å; C33-K37 WeakPolarHBondContact O-CG 3.31Å; C33-K37 PolarHBondContact O-N 3.1Å
34Q84.5Confident80.1Confident85 Ų85101.2 Ų101.240%0.39751%0.512SS..Hα-helixtrans-65.2-43.6175.6-75.3-1632.400112.1F30 L31 A36 K37 N38F30-Q34 HydrophobicContact CE1-CG 4.2Å; F30-Q34 HydrophobicContact CE2-CG 4.49Å; F30-Q34 HydrophobicContact CZ-CG 4.19Å; F30-Q34 PolarHBondContact O-N 3.05Å; L31-Q34 PolarHBondContact O-N 2.88Å; Q34-A36 VanDerWaalsContact C-N 3.33Å; Q34-A36 PolarHBondContact O-N 2.94Å; Q34-K37 WeakPolarHBondContact O-CB 3.37Å; Q34-K37 PolarHBondContact O-N 3.09Å; Q34-N38 PolarHBondContact O-N 2.76Å
35Q85.2Confident78.7Confident125 Ų125101.6 Ų101.658%0.58452%0.523SS*.Hα-helixtrans-59.7-44.5175.4-71.9173.56.500111.2L31 K32 K37 N38 I39L31-Q35 WeakPolarHBondContact O-CG 3.39Å; L31-Q35 PolarHBondContact O-N 3.26Å; K32-Q35 PolarHBondContact O-N 2.71Å; Q35-K37 VanDerWaalsContact C-N 3.31Å; Q35-K37 PolarHBondContact O-N 3.08Å; Q35-N38 PolarHBondContact O-N 3.08Å; Q35-I39 WeakPolarHBondContact O-CG1 3.34Å; Q35-I39 PolarHBondContact O-N 2.83Å; Q35-I39 VanDerWaalsContact O-N 3.16Å
36A79.7Confident77.5Confident15 Ų15100.3 Ų100.312%0.12451%0.51CS..Hα-helixtrans-62.5-35.2175.700000112.9K32 C33 Q34 N40 I46 I51K32-A36 PolarHBondContact O-N 3.16Å; C33-A36 PolarHBondContact O-N 3.17Å; Q34-A36 VanDerWaalsContact C-N 3.33Å; Q34-A36 PolarHBondContact O-N 2.94Å; A36-N40 PolarHBondContact O-N 3.27Å; A36-N40 VanDerWaalsContact O-N 3.17Å; A36-N40 PolarHBondContact O-ND2 2.96Å; A36-I46 HydrophobicContact CB-CG2 4.4Å; A36-I51 HydrophobicContact CB-CG1 4.02Å
37K78.6Confident76.5Confident135 Ų13597.9 Ų97.959%0.58750%0.502SS*.Hα-helixtrans-66.1-40.3173.3-77.9177.1179.5-174.50112.8C33 Q34 Q35 I39 N40 I46C33-K37 WeakPolarHBondContact O-CG 3.31Å; C33-K37 PolarHBondContact O-N 3.1Å; Q34-K37 WeakPolarHBondContact O-CB 3.37Å; Q34-K37 PolarHBondContact O-N 3.09Å; Q35-K37 VanDerWaalsContact C-N 3.31Å; Q35-K37 PolarHBondContact O-N 3.08Å; K37-I39 VanDerWaalsContact C-N 3.31Å; K37-I39 PolarHBondContact O-N 2.93Å; K37-N40 CarbonylContact O-C 3.59Å; K37-N40 PolarHBondContact O-N 3.41Å; K37-I46 HydrophobicContact CB-CD1 4.07Å; K37-I46 HydrophobicContact CD-CD1 4.44Å; K37-I46 HydrophobicContact CG-CD1 3.22Å
38N77.2Confident75.3Confident124 Ų12497.4 Ų97.466%0.66351%0.505SS*.Hα-helixtrans-70.1-28.9-179.7-66.7-15.6000112.7Q34 Q35Q34-N38 PolarHBondContact O-N 2.76Å; Q35-N38 PolarHBondContact O-N 3.08Å
39I74.3Confident74.1Confident136 Ų13697.2 Ų97.270%0.69751%0.512SS*.Hα-helixtrans-78.1-38.5177.2-64.1163.6000111.1Q35 K37 H41Q35-I39 WeakPolarHBondContact O-CG1 3.34Å; Q35-I39 PolarHBondContact O-N 2.83Å; Q35-I39 VanDerWaalsContact O-N 3.16Å; K37-I39 VanDerWaalsContact C-N 3.31Å; K37-I39 PolarHBondContact O-N 2.93Å; I39-H41 PolarHBondContact O-N 3.19Å
40N64.5Low73.1Confident70 Ų7096.2 Ų96.237%0.37452%0.518SS..  trans-91.379.3179.6-64.1-65.1000110A36 K37 D42A36-N40 PolarHBondContact O-N 3.27Å; A36-N40 VanDerWaalsContact O-N 3.17Å; A36-N40 PolarHBondContact O-ND2 2.96Å; K37-N40 CarbonylContact O-C 3.59Å; K37-N40 PolarHBondContact O-N 3.41Å; N40-D42 PolarHBondContact O-N 3.29Å
41H62.4Low72.1Confident173 Ų17391.3 Ų91.380%0.80150%0.497SS*.  trans-73.3-10.9179.4-141.2-60000113.5I39I39-H41 PolarHBondContact O-N 3.19Å
42D56.3Low71.2Confident133 Ų13391.7 Ų91.771%0.71150%0.502SS*.SBendtrans-101.1145.1175.6-67.8-32.1000110.4N40 T44N40-D42 PolarHBondContact O-N 3.29Å; D42-T44 PolarHBondContact O-N 3.22Å; D42-T44 PolarHBondContact O-OG1 2.9Å; D42-T44 VanDerWaalsContact O-OG1 3.05Å
43N60.9Low70.2Confident179 Ų17994 Ų9496%0.95752%0.517SS*.  trans-58.826.1-169.8-65.4-45.4000117.5S45N43-S45 PolarHBondContact O-N 2.89Å
44T61.2Low69.2Low95 Ų9599 Ų9958%0.58355%0.549SS*.  trans-71.3123.917410.90000111.5D42 I46D42-T44 PolarHBondContact O-N 3.22Å; D42-T44 PolarHBondContact O-OG1 2.9Å; D42-T44 VanDerWaalsContact O-OG1 3.05Å; T44-I46 PolarHBondContact O-N 3.5Å
45S62.8Low67.7Low102 Ų10299.4 Ų99.471%0.71356%0.562SS**  trans-54.2117.9172.6172.80000110.7N43 T47N43-S45 PolarHBondContact O-N 2.89Å; S45-T47 PolarHBondContact O-N 3.46Å
46I64.4Low66.4Low50 Ų50100.1 Ų100.126%0.25657%0.569SS.*  trans-77.1105.4176.5-55.6171000107.8A36 K37 T44 I51A36-I46 HydrophobicContact CB-CG2 4.4Å; K37-I46 HydrophobicContact CB-CD1 4.07Å; K37-I46 HydrophobicContact CD-CD1 4.44Å; K37-I46 HydrophobicContact CG-CD1 3.22Å; T44-I46 PolarHBondContact O-N 3.5Å; I46-I51 HydrophobicContact CG2-CD1 3.41Å; I46-I51 VanDerWaalsContact CG2-CD1 3.41Å; I46-I51 HydrophobicContact CG2-CG1 3.59Å
47T70Confident65.2Low57 Ų57104 Ų10435%0.3559%0.592SS.*  trans-85.2147.5173.2550000110.2S45 S49 T50S45-T47 PolarHBondContact O-N 3.46Å; T47-S49 WeakPolarHBondContact CB-OG 3.28Å; T47-S49 PolarHBondContact O-N 3.39Å; T47-S49 PolarHBondContact OG1-OG 2.94Å; T47-T50 PolarHBondContact O-N 3.19Å; T47-T50 PolarHBondContact O-OG1 3Å; T47-T50 WeakPolarHBondContact OG1-CG2 3.39Å
48P68.6Low64.1Low87 Ų87107.4 Ų107.457%0.56561%0.607SS**Hα-helixtrans-56.4-26.617918.5-29.6000113W29 T50 I51 V52W29-P48 HydrophobicContact CH2-CB 4.33Å; W29-P48 HydrophobicContact CZ2-CB 4.47Å; P48-T50 VanDerWaalsContact C-N 3.28Å; P48-T50 PolarHBondContact O-N 3.46Å; P48-I51 PolarHBondContact O-N 2.97Å; P48-V52 VanDerWaalsContact O-CG2 3.28Å; P48-V52 WeakPolarHBondContact O-CG2 3.22Å; P48-V52 PolarHBondContact O-N 2.73Å; P48-V52 VanDerWaalsContact O-N 3.15Å
49S66.8Low62.9Low92 Ų92109.1 Ų109.164%0.64361%0.611SS**Hα-helixtrans-63.8-23.4173.247.60000115.1T47T47-S49 WeakPolarHBondContact CB-OG 3.28Å; T47-S49 PolarHBondContact O-N 3.39Å; T47-S49 PolarHBondContact OG1-OG 2.94Å
50T67.3Low61.5Low89 Ų89106.8 Ų106.855%0.54661%0.607SS.*Hα-helixtrans-87.3-18.3176.666.10000112.7T47 P48T47-T50 PolarHBondContact O-N 3.19Å; T47-T50 PolarHBondContact O-OG1 3Å; T47-T50 WeakPolarHBondContact OG1-CG2 3.39Å; P48-T50 VanDerWaalsContact C-N 3.28Å; P48-T50 PolarHBondContact O-N 3.46Å
51I68.3Low60.7Low13 Ų13109.2 Ų109.27%0.06763%0.629CS.*Hα-helixtrans-92.8-29.4-178.9-58.9159000111W29 K32 A36 I46 P48 D53W29-I51 HydrophobicContact CE3-CG2 4.21Å; W29-I51 HydrophobicContact CH2-CB 3.83Å; W29-I51 HydrophobicContact CH2-CD1 4.12Å; W29-I51 HydrophobicContact CH2-CG2 3.7Å; W29-I51 HydrophobicContact CZ2-CD1 4.15Å; W29-I51 HydrophobicContact CZ2-CG2 4.47Å; W29-I51 HydrophobicContact CZ3-CB 4.1Å; W29-I51 HydrophobicContact CZ3-CG2 3.55Å; K32-I51 HydrophobicContact CB-CG2 4.13Å; K32-I51 HydrophobicContact CD-CG2 3.69Å; K32-I51 WeakPolarHBondContact CD-O 3.47Å; K32-I51 WeakPolarHBondContact CE-O 3.35Å; K32-I51 HydrophobicContact CG-CG2 3.69Å; K32-I51 PolarHBondContact NZ-O 3.13Å; A36-I51 HydrophobicContact CB-CG1 4.02Å; I46-I51 HydrophobicContact CG2-CD1 3.41Å; I46-I51 VanDerWaalsContact CG2-CD1 3.41Å; I46-I51 HydrophobicContact CG2-CG1 3.59Å; P48-I51 PolarHBondContact O-N 2.97Å; I51-D53 PolarHBondContact O-N 3.35Å
52V71.2Confident60.1Low85 Ų85109.5 Ų109.552%0.51563%0.628SS.*SBendtrans-72.9125.4-178.8173.60000110.2W29 P48W29-V52 HydrophobicContact CH2-CG2 4.36Å; W29-V52 HydrophobicContact CZ3-CG2 4.21Å; P48-V52 VanDerWaalsContact O-CG2 3.28Å; P48-V52 WeakPolarHBondContact O-CG2 3.22Å; P48-V52 PolarHBondContact O-N 2.73Å; P48-V52 VanDerWaalsContact O-N 3.15Å
53D66.9Low59.4Low105 Ų105108.3 Ų108.356%0.56163%0.63SS**  trans-71.6132.2174.4-69.4-45.6000108.9K32 I51 S55K32-D53 WeakPolarHBondContact CE-OD2 3.39Å; K32-D53 IonicContact NZ-OD1 2.88Å; K32-D53 IonicContact NZ-OD2 3.94Å; K32-D53 PolarHBondContact NZ-OD2 3.2Å; I51-D53 PolarHBondContact O-N 3.35Å; D53-S55 PolarHBondContact O-N 2.69Å; D53-S55 VanDerWaalsContact O-N 3.16Å
54P61.3Low58.8Low129 Ų129107.1 Ų107.184%0.83862%0.623SS**SBendtrans-72.8-4-177.526.9-32.7000113.9L56P54-L56 PolarHBondContact O-N 2.88Å
55S53.8Low57.9Low94 Ų94108.5 Ų108.566%0.65763%0.634SS**  trans-90.494.2-179.562.80000111.2D53D53-S55 PolarHBondContact O-N 2.69Å; D53-S55 VanDerWaalsContact O-N 3.16Å
56L58Low56.9Low140 Ų140112.7 Ų112.773%0.73364%0.639SS**  trans-57.7131.5151.9-80.6100.3000107.7P54 K58P54-L56 PolarHBondContact O-N 2.88Å; L56-K58 PolarHBondContact O-N 3.38Å; L56-K58 VanDerWaalsContact O-N 3.1Å
57P54.6Low55.9Low96 Ų96115.3 Ų115.362%0.62366%0.661SS**  trans-58.7123.2169.826.5-32.4000106.7H59P57-H59 PolarHBondContact O-N 3.27Å
58K55.6Low54.2Low207 Ų207119.4 Ų119.490%0.968%0.681SS**  trans-53.4107.8170.8-73.3178.1179.9176.30106.3L56 S60L56-K58 PolarHBondContact O-N 3.38Å; L56-K58 VanDerWaalsContact O-N 3.1Å; K58-S60 PolarHBondContact O-N 2.94Å
59H50.7Low52.6Low160 Ų160121.7 Ų121.774%0.74169%0.694SS**  trans-63.391.3174-63.8-75.3000106.5P57 S61P57-H59 PolarHBondContact O-N 3.27Å; H59-S61 PolarHBondContact O-N 3.33Å; H59-S61 VanDerWaalsContact O-N 3.08Å
60S45.1Very low51.1Low87 Ų87124.8 Ų124.861%0.60870%0.698SS**  trans-58.4114.5161.4178.20000104.5K58 K62K58-S60 PolarHBondContact O-N 2.94Å; S60-K62 PolarHBondContact O-N 3.35Å
61S49.4Very low49.5Very low120 Ų120127.2 Ų127.284%0.83971%0.708SS**  trans-64.661.5171.857.10000109.8H59 S63H59-S61 PolarHBondContact O-N 3.33Å; H59-S61 VanDerWaalsContact O-N 3.08Å; S61-S63 VanDerWaalsContact C-N 3.34Å; S61-S63 PolarHBondContact O-N 3.23Å
62K49.2Very low48.1Very low180 Ų180136 Ų13678%0.78375%0.749SS**  trans-77.699.6161.1-74.2-178.6-178.7-177.90104.4S60 L64S60-K62 PolarHBondContact O-N 3.35Å; K62-L64 PolarHBondContact O-N 2.86Å
63S42.2Very low46.3Very low108 Ų108140.4 Ų140.476%0.75576%0.763SS**  trans-28.6126167.451.40000110.7S61S61-S63 VanDerWaalsContact C-N 3.34Å; S61-S63 PolarHBondContact O-N 3.23Å
64L47.2Very low44.8Very low154 Ų154142.6 Ų142.681%0.80678%0.775SS**  trans-45.7136.6167.7-81.986.1000108.4K62 K66K62-L64 PolarHBondContact O-N 2.86Å; L64-K66 PolarHBondContact O-N 3.27Å
65P42.7Very low43.7Very low124 Ų124144.2 Ų144.281%0.80578%0.776SS**  trans-58.9119.4172.925.6-29.8000106.8S67P65-S67 PolarHBondContact O-N 2.88Å; P65-S67 VanDerWaalsContact O-N 3.09Å
66K42.4Very low42.6Very low190 Ų190145.6 Ų145.683%0.82678%0.78SS**  trans-56.6117.6169.4-69.7177.1179.5177.50105.8L64 N68L64-K66 PolarHBondContact O-N 3.27Å; K66-N68 PolarHBondContact O-N 3.48Å
67S42.5Very low41.5Very low104 Ų104147.1 Ų147.173%0.72778%0.784SS**  trans-61.1107.2170.150.70000107.2P65 T69P65-S67 PolarHBondContact O-N 2.88Å; P65-S67 VanDerWaalsContact O-N 3.09Å; S67-T69 PolarHBondContact O-N 3.49Å; S67-T69 VanDerWaalsContact O-N 3.14Å; S67-T69 PolarHBondContact O-OG1 2.94Å
68N35.2Very low40.6Very low144 Ų144150.3 Ų150.377%0.7779%0.79SS**  trans-55.5119.3171.7-68.3-14.2000107.7K66K66-N68 PolarHBondContact O-N 3.48Å
69T33.7Very low39.5Very low135 Ų135146 Ų14683%0.82879%0.787SS**  trans-96.382.7172.9-43.20000104.9S67S67-T69 PolarHBondContact O-N 3.49Å; S67-T69 VanDerWaalsContact O-N 3.14Å; S67-T69 PolarHBondContact O-OG1 2.94Å
70E36.1Very low38.8Very low156 Ų156144.2 Ų144.273%0.72978%0.782SS**  trans-137.5109.5173.1-71.6-178.217900107.7
71D32.7Very low38.2Very low140 Ų140148.2 Ų148.275%0.74979%0.791SS**  trans64.1103.6138.3-46.1-25.3000118.6
72Q40.1Very low37.7Very low199 Ų199149.4 Ų149.493%0.9379%0.787SS**  -142.697.6125.5-76.2-144-22.500109.7
73E33.6Very low37Very low176 Ų176148.1 Ų148.182%0.82278%0.784SS**  trans-57.2125.4143.3-64.2175.9150.200107.9
74D35.1Very low36.8Very low151 Ų151150.5 Ų150.581%0.80779%0.787SS**  166.3149.6129.2-86.2-26.8000111.5
75L38.8Very low36.2Very low164 Ų164148 Ų14886%0.85978%0.778SS**  trans92.265.1170.7-47.7178000116.4
76T29.7Very low35.7Very low122 Ų122149 Ų14975%0.74878%0.777SS**  -44.1153.8129.942.40000112.3
77E34.4Very low35.4Very low173 Ų173147.6 Ų147.681%0.80878%0.778SS**  trans88.292.6166.1-53.9178.8175.700117
78Q37Very low35.1Very low162 Ų162147.9 Ų147.976%0.75778%0.776SS**  -17796.9112.3-97.8165.365.300111N80Q78-N80 PolarHBondContact O-N 3.37Å
79S31.3Very low35.1Very low118 Ų118147.3 Ų147.383%0.82577%0.771SS**  trans-57.7105.7153.447.20000109.4
80N36.6Very low35.2Very low121 Ų121148.9 Ų148.965%0.64777%0.766SS**  trans-113.8105.8166.1-76.9-26.8000109Q78 I82Q78-N80 PolarHBondContact O-N 3.37Å; N80-I82 PolarHBondContact O-N 3.44Å
81E33.3Very low35.3Very low171 Ų171151.1 Ų151.180%0.79978%0.777SS**  trans-50.9116.2168.3-64.8174.8146.400109.9H83E81-H83 PolarHBondContact O-N 3.41Å
82I38.8Very low35.7Very low146 Ų146151.8 Ų151.875%0.74978%0.776SS**  trans-9687.9164.3-56.8178000106.6N80 L84N80-I82 PolarHBondContact O-N 3.44Å; I82-L84 HydrophobicContact CG2-CG 4.2Å; I82-L84 PolarHBondContact O-N 2.75Å; I82-L84 VanDerWaalsContact O-N 3.07Å
83H34.4Very low35.6Very low153 Ų153149.4 Ų149.471%0.70877%0.769SS**  trans-6099.3161.5-104.6-87.4000108.7E81 T85E81-H83 PolarHBondContact O-N 3.41Å; H83-T85 PolarHBondContact O-N 2.91Å
84L36.5Very low36.1Very low158 Ų158148.5 Ų148.583%0.82777%0.765SS**  trans-83.889.9164.7-81.3157000107.9I82I82-L84 HydrophobicContact CG2-CG 4.2Å; I82-L84 PolarHBondContact O-N 2.75Å; I82-L84 VanDerWaalsContact O-N 3.07Å
85T34.9Very low36.7Very low100 Ų100148 Ų14861%0.61376%0.761SS**  trans-68.3135.7170.350.70000110.8H83 N87H83-T85 PolarHBondContact O-N 2.91Å; T85-N87 PolarHBondContact O-N 3.25Å
86D33.3Very low37Very low147 Ų147145.7 Ų145.779%0.78675%0.749SS**  trans-47.290.8172.1-64-51.8000113.8V88D86-V88 VanDerWaalsContact C-N 3.35Å; D86-V88 HydrophobicContact CB-CG2 4.12Å; D86-V88 PolarHBondContact O-N 2.89Å
87N35.4Very low38.2Very low159 Ų159145.9 Ų145.985%0.8575%0.75SS**  trans-97.775.6159.3-77.6-15.2000109.2T85T85-N87 PolarHBondContact O-N 3.25Å
88V35.4Very low39.4Very low111 Ų111141.8 Ų141.867%0.67373%0.733SS**  trans-64.6148.3162.5-1650000108.2D86D86-V88 VanDerWaalsContact C-N 3.35Å; D86-V88 HydrophobicContact CB-CG2 4.12Å; D86-V88 PolarHBondContact O-N 2.89Å
89I36.9Very low40.7Very low132 Ų132141 Ų14168%0.67773%0.729SS**  trans100.7109.2151.1-49.4179.3000116.7
90K35Very low42.8Very low168 Ų168140.8 Ų140.873%0.7372%0.718SS**  trans86.581.4155.3-66156.2-169.6178.20118.4
91E38.9Very low45Very low203 Ų203138.7 Ų138.795%0.94971%0.707SS**  trans-133.9103.6134.7-73.2-165.7166.400109.2
92Q39.9Very low47.6Very low154 Ų154133.4 Ų133.472%0.7268%0.683SS**  trans-82.9129.9178.8-98.7136.9-20.600109.6
93N38.3Very low50Low148 Ų148131.7 Ų131.779%0.79167%0.668SS**SBendtrans77.462.3143.5-47.4-23000118.8
94H44.6Very low52.7Low158 Ų158132.1 Ų132.173%0.73167%0.668SS**  trans-168.743150-150.1-75.5000114.9D96H94-D96 IonicContact CE1-OD2 3.26Å; H94-D96 PolarHBondContact CE1-OD2 3.33Å; H94-D96 VanDerWaalsContact CE1-OD2 3.26Å; H94-D96 IonicContact ND1-OD2 3.81Å; H94-D96 IonicContact NE2-OD2 3.81Å; H94-D96 PolarHBondContact O-N 3.04Å
95I47.2Very low55.3Low141 Ų141125.9 Ų125.972%0.72364%0.637SS**  trans-101.471.4173.4-45.9173.9000108.3T97 I98I95-T97 PolarHBondContact O-N 3.42Å; I95-I98 HydrophobicContact CG2-CD1 3.52Å; I95-I98 HydrophobicContact CG2-CG1 3.72Å
96D45.9Very low58Low115 Ų115124.5 Ų124.562%0.61563%0.631SS**  trans-62.8115.7169.6-68.4-29.6000108.6H94H94-D96 IonicContact CE1-OD2 3.26Å; H94-D96 PolarHBondContact CE1-OD2 3.33Å; H94-D96 VanDerWaalsContact CE1-OD2 3.26Å; H94-D96 IonicContact ND1-OD2 3.81Å; H94-D96 IonicContact NE2-OD2 3.81Å; H94-D96 PolarHBondContact O-N 3.04Å
97T53.6Low60.7Low126 Ų126122.6 Ų122.677%0.77362%0.621SS**  trans51.267.4158.440.30000116.3I95 E99I95-T97 PolarHBondContact O-N 3.42Å; T97-E99 PolarHBondContact O-N 3.45Å; T97-E99 VanDerWaalsContact O-N 3.13Å
98I60.1Low63.4Low86 Ų86120 Ų12044%0.44161%0.607SS.*  trans-72.9100.6152.3-59.4174.3000106.1I95 L100I95-I98 HydrophobicContact CG2-CD1 3.52Å; I95-I98 HydrophobicContact CG2-CG1 3.72Å; I98-L100 PolarHBondContact O-N 3.48Å
99E65.3Low66Low145 Ų145116.7 Ų116.768%0.67859%0.587SS**  trans-55.1109.8168.4-68.5179.8176.100107.9T97T97-E99 PolarHBondContact O-N 3.45Å; T97-E99 VanDerWaalsContact O-N 3.13Å
100L74Confident68.7Low114 Ų114112.4 Ų112.460%0.59757%0.565SS**  trans-76.6128.9177.5-67.3169.6000108.1I98 M102 Q141I98-L100 PolarHBondContact O-N 3.48Å; L100-M102 PolarHBondContact O-N 3.3Å; L100-Q141 VanDerWaalsContact O-CD 3.29Å; L100-Q141 PolarHBondContact O-NE2 2.93Å
101D83.7Confident71.5Confident78 Ų78111 Ų11142%0.41756%0.559SS.*SBendtrans-51.3-30.2176.1-55.1-8.1000112.9F140 Q141 F142 V144D101-F140 VanDerWaalsContact O-CA 3.29Å; D101-F140 WeakPolarHBondContact O-CA 3.45Å; D101-Q141 PolarHBondContact O-N 3.04Å; D101-F142 HydrophobicContact CB-CE2 4.49Å; D101-F142 HydrophobicContact CB-CZ 4.15Å; D101-F142 WeakPolarHBondContact OD1-CZ 3.26Å; D101-V144 HydrophobicContact CB-CG2 3.85Å
102M88.4Confident74.1Confident59 Ų59102.4 Ų102.429%0.29152%0.519SS..BIsolated β-bridgetrans-115.4142.8-177-67-17688.800113.3L100 R131 K139 F140L100-M102 PolarHBondContact O-N 3.3Å; M102-R131 VanDerWaalsContact CE-CZ 3.43Å; M102-R131 VanDerWaalsContact CE-NH2 3.26Å; M102-K139 CarbonylContact C-O 3.37Å; M102-K139 VanDerWaalsContact CA-O 3.3Å; M102-K139 WeakPolarHBondContact CA-O 3.1Å; M102-K139 HydrophobicContact CE-CD 3.47Å; M102-K139 VanDerWaalsContact CE-CD 3.47Å; M102-K139 HydrophobicContact CE-CG 3.25Å; M102-F140 HydrophobicContact CB-CD1 4.43Å; M102-F140 HydrophobicContact CE-CD1 4.46Å; M102-F140 HydrophobicContact CE-CE1 3.86Å; M102-F140 HydrophobicContact CE-CE2 4.08Å; M102-F140 HydrophobicContact CE-CZ 3.64Å; M102-F140 HydrophobicContact CG-CD1 3.3Å; M102-F140 HydrophobicContact CG-CE1 3.19Å; M102-F140 HydrophobicContact CG-CG 4.15Å; M102-F140 HydrophobicContact CG-CZ 3.99Å; M102-F140 HydrophobicContact SD-CD1 4.34Å; M102-F140 HydrophobicContact SD-CE1 3.64Å; M102-F140 HydrophobicContact SD-CZ 3.95Å
103Y89.4Confident76.6Confident110 Ų11096.9 Ų96.943%0.43150%0.495SS..PPolyproline II helixtrans-66.6145.6166.5-60.6-68.4000111.5R131 D138 K139 F140 Q141Y103-R131 PolarHBondContact O-NH2 3.02Å; Y103-R131 VanDerWaalsContact O-NH2 3.09Å; Y103-D138 WeakPolarHBondContact CD2-O 3.45Å; Y103-K139 PolarHBondContact N-O 3.47Å; Y103-F140 WeakPolarHBondContact CE2-O 3.49Å; Y103-Q141 HydrophobicContact CD1-CG 4.04Å; Y103-Q141 HydrophobicContact CE1-CG 3.5Å; Y103-Q141 HydrophobicContact CE2-CG 4.1Å
104K90.3Very high79.2Confident163 Ų16399 Ų9971%0.70949%0.493SS*.PPolyproline II helixtrans-64.7130.2171.6-173.7178.7176.2-178.60109.1
105P91.4Very high81.5Confident27 Ų2795.6 Ų95.618%0.17548%0.48CS..PPolyproline II helixtrans-61.6153.5175.1-15.826.2000112V109 L110 Y127P105-V109 HydrophobicContact CB-CB 4.4Å; P105-V109 HydrophobicContact CB-CG1 4.35Å; P105-L110 HydrophobicContact CB-CD2 4.04Å; P105-L110 HydrophobicContact CB-CG 4.1Å; P105-L110 HydrophobicContact CG-CD2 3.9Å; P105-L110 HydrophobicContact CG-CG 4.48Å; P105-Y127 HydrophobicContact CB-CE2 4.28Å; P105-Y127 HydrophobicContact CG-CE2 4.12Å; P105-Y127 VanDerWaalsContact CG-OH 3.3Å; P105-Y127 WeakPolarHBondContact CG-OH 3.35Å
106S90.4Very high83.7Confident70 Ų7091 Ų9149%0.4947%0.468SS..PPolyproline II helixtrans-54.5146.3169.9171.40000111.2D108 V109 L110S106-D108 PolarHBondContact O-N 3.48Å; S106-D108 PolarHBondContact OG-N 3.2Å; S106-V109 PolarHBondContact O-N 3.46Å; S106-L110 PolarHBondContact O-N 2.92Å
107N91.5Very high85.9Confident107 Ų10790.6 Ų90.657%0.57247%0.465SS*.Hα-helixtrans-56.2-33.1178.8-77-28.3000112.7L110 K111N107-L110 PolarHBondContact O-N 3.39Å; N107-K111 WeakPolarHBondContact O-CG 3.4Å; N107-K111 PolarHBondContact O-N 3.36Å
108D90.8Very high87.8Confident104 Ų10487.1 Ų87.156%0.55645%0.445SS*.Hα-helixtrans-69.4-36.7178.9-62.6-35.8000112.1S106 K111S106-D108 PolarHBondContact O-N 3.48Å; S106-D108 PolarHBondContact OG-N 3.2Å; D108-K111 PolarHBondContact O-N 2.99Å; D108-K111 IonicContact OD1-NZ 3.84Å; D108-K111 PolarHBondContact OD1-NZ 3.44Å
109V91.4Very high89.3Confident42 Ų4292.9 Ų92.926%0.25547%0.467SS..Hα-helixtrans-70.4-38173.9-178.80000110.1P105 S106 K111 L112 Y127P105-V109 HydrophobicContact CB-CB 4.4Å; P105-V109 HydrophobicContact CB-CG1 4.35Å; S106-V109 PolarHBondContact O-N 3.46Å; V109-K111 VanDerWaalsContact C-N 3.34Å; V109-K111 PolarHBondContact O-N 3.29Å; V109-L112 VanDerWaalsContact O-CB 3.28Å; V109-L112 WeakPolarHBondContact O-CB 3.43Å; V109-L112 PolarHBondContact O-N 3.35Å; V109-Y127 HydrophobicContact CG1-CD2 3.54Å; V109-Y127 HydrophobicContact CG1-CE2 3.67Å; V109-Y127 WeakPolarHBondContact O-CD2 3.37Å
110L92.9Very high90.6Very high42 Ų4292.1 Ų92.122%0.2246%0.464CS..Hα-helixtrans-63.2-36.4176.3-70.8174.2000112.9P105 S106 N107 L112 L113 Y127P105-L110 HydrophobicContact CB-CD2 4.04Å; P105-L110 HydrophobicContact CB-CG 4.1Å; P105-L110 HydrophobicContact CG-CD2 3.9Å; P105-L110 HydrophobicContact CG-CG 4.48Å; S106-L110 PolarHBondContact O-N 2.92Å; N107-L110 PolarHBondContact O-N 3.39Å; L110-L112 PolarHBondContact O-N 3.05Å; L110-L113 HydrophobicContact CD2-CD1 3.91Å; L110-L113 VanDerWaalsContact O-CB 3.32Å; L110-L113 WeakPolarHBondContact O-CB 3.47Å; L110-L113 PolarHBondContact O-N 2.95Å; L110-L113 VanDerWaalsContact O-N 3.12Å; L110-Y127 HydrophobicContact CD2-CE2 4.5Å
111K93.5Very high91.5Very high138 Ų13888.6 Ų88.660%0.646%0.455SS*.Hα-helixtrans-57.9-34.1175.3-71.3167.5-167.4159.60112.1N107 D108 V109 L113 Y114 D115N107-K111 WeakPolarHBondContact O-CG 3.4Å; N107-K111 PolarHBondContact O-N 3.36Å; D108-K111 PolarHBondContact O-N 2.99Å; D108-K111 IonicContact OD1-NZ 3.84Å; D108-K111 PolarHBondContact OD1-NZ 3.44Å; V109-K111 VanDerWaalsContact C-N 3.34Å; V109-K111 PolarHBondContact O-N 3.29Å; K111-L113 PolarHBondContact O-N 2.93Å; K111-L113 VanDerWaalsContact O-N 3.14Å; K111-Y114 PolarHBondContact O-N 3.12Å; K111-D115 PolarHBondContact O-N 3.43Å
112L93.4Very high92Very high23 Ų2389.6 Ų89.612%0.1246%0.455CS..G310 helixtrans-59.7-25.8179.1-59174.1000112.7V109 L110 Y114 D115 G123 R126V109-L112 VanDerWaalsContact O-CB 3.28Å; V109-L112 WeakPolarHBondContact O-CB 3.43Å; V109-L112 PolarHBondContact O-N 3.35Å; L110-L112 PolarHBondContact O-N 3.05Å; L112-Y114 PolarHBondContact O-N 3.44Å; L112-D115 PolarHBondContact O-N 3.44Å; L112-G123 CarbonylContact O-C 3.57Å; L112-G123 WeakPolarHBondContact O-CA 3.41Å; L112-R126 HydrophobicContact CD1-CG 4.41Å
113L93.3Very high92.3Very high39 Ų3986.8 Ų86.820%0.20444%0.442CS..G310 helixtrans-58.4-31.8179.8-75163.7000113.2L110 K111 R124 Y127L110-L113 HydrophobicContact CD2-CD1 3.91Å; L110-L113 VanDerWaalsContact O-CB 3.32Å; L110-L113 WeakPolarHBondContact O-CB 3.47Å; L110-L113 PolarHBondContact O-N 2.95Å; L110-L113 VanDerWaalsContact O-N 3.12Å; K111-L113 PolarHBondContact O-N 2.93Å; K111-L113 VanDerWaalsContact O-N 3.14Å; L113-R124 HydrophobicContact CD2-CG 4.07Å; L113-Y127 HydrophobicContact CD1-CD2 4.43Å; L113-Y127 HydrophobicContact CD1-CE2 4.35Å; L113-Y127 HydrophobicContact CD2-CD1 3.55Å; L113-Y127 HydrophobicContact CD2-CD2 4.06Å; L113-Y127 HydrophobicContact CD2-CE1 3.97Å; L113-Y127 HydrophobicContact CD2-CE2 4.44Å; L113-Y127 HydrophobicContact CD2-CG 3.59Å; L113-Y127 HydrophobicContact CG-CD1 4.31Å; L113-Y127 HydrophobicContact CG-CD2 3.89Å; L113-Y127 HydrophobicContact CG-CE2 4.29Å; L113-Y127 HydrophobicContact CG-CG 3.89Å
114Y93.2Very high92.5Very high193 Ų19388.9 Ų88.976%0.75745%0.449SS*.G310 helixtrans-111.94.4-174.5-55.4-74000112.9K111 L112 G116K111-Y114 PolarHBondContact O-N 3.12Å; L112-Y114 PolarHBondContact O-N 3.44Å; Y114-G116 PolarHBondContact O-N 2.87Å
115D92.4Very high92.7Very high85 Ų8583.5 Ų83.546%0.45543%0.432SS..SBendtrans-90.485.7179-176.723.6000111K111 L112 K122 G123 R126K111-D115 PolarHBondContact O-N 3.43Å; L112-D115 PolarHBondContact O-N 3.44Å; D115-K122 WeakPolarHBondContact O-CB 3.24Å; D115-G123 VanDerWaalsContact O-CA 3.27Å; D115-G123 WeakPolarHBondContact O-CA 3.13Å; D115-G123 PolarHBondContact O-N 2.98Å; D115-R126 IonicContact OD2-NH1 2.6Å
116G93.1Very high92.9Very high46 Ų4687.4 Ų87.447%0.47444%0.443SS..SBendtrans89.1-165.9174.900000115.6Y114Y114-G116 PolarHBondContact O-N 2.87Å
117I92.2Very high93.1Very high106 Ų10685.2 Ų85.254%0.54442%0.424SS..  trans-105.8131.8-171.1-55172.2000110.6K119 E120 K122I117-K119 HydrophobicContact CG2-CB 4.24Å; I117-K119 PolarHBondContact O-N 2.6Å; I117-K119 VanDerWaalsContact O-N 3.15Å; I117-E120 PolarHBondContact O-N 3.09Å; I117-E120 VanDerWaalsContact O-N 3.09Å; I117-K122 PolarHBondContact O-N 3.05Å
118S93.2Very high93.2Very high53 Ų5385.4 Ų85.437%0.37143%0.425SS..G310 helixtrans-56.7-31.5-178.6-57.90000114.7E120 G121 K122S118-E120 VanDerWaalsContact C-N 3.25Å; S118-E120 PolarHBondContact O-N 2.88Å; S118-G121 PolarHBondContact O-N 2.91Å; S118-G121 VanDerWaalsContact O-N 3.14Å; S118-K122 WeakPolarHBondContact CA-O 3.41Å
119K92.1Very high93.4Very high206 Ų20685.7 Ų85.790%0.89642%0.422SS*.G310 helixtrans-66-26.6180-169.4177.7179.1-177.60112.9I117 G121I117-K119 HydrophobicContact CG2-CB 4.24Å; I117-K119 PolarHBondContact O-N 2.6Å; I117-K119 VanDerWaalsContact O-N 3.15Å; K119-G121 VanDerWaalsContact C-N 3.28Å
120E92.9Very high93.4Very high130 Ų13086 Ų8661%0.60742%0.423SS*.G310 helixtrans-89.28.4176.9-61.3-179.2-179.600112.6I117 S118 K122I117-E120 PolarHBondContact O-N 3.09Å; I117-E120 VanDerWaalsContact O-N 3.09Å; S118-E120 VanDerWaalsContact C-N 3.25Å; S118-E120 PolarHBondContact O-N 2.88Å; E120-K122 VanDerWaalsContact C-N 3.26Å; E120-K122 PolarHBondContact O-N 2.96Å; E120-K122 IonicContact OE2-NZ 2.91Å
121G91.9Very high93.4Very high39 Ų3986.3 Ų86.340%0.40242%0.421SS..THydrogen-bonded Turntrans75.911.4-173.200000114.1S118 K119S118-G121 PolarHBondContact O-N 2.91Å; S118-G121 VanDerWaalsContact O-N 3.14Å; K119-G121 VanDerWaalsContact C-N 3.28Å
122K94Very high93.3Very high99 Ų9988.6 Ų88.643%0.4343%0.427SS..  trans-99.1-173.6176.1-66-179-177.2164.50111.2D115 I117 S118 E120 R124 S125D115-K122 WeakPolarHBondContact O-CB 3.24Å; I117-K122 PolarHBondContact O-N 3.05Å; S118-K122 WeakPolarHBondContact CA-O 3.41Å; E120-K122 VanDerWaalsContact C-N 3.26Å; E120-K122 PolarHBondContact O-N 2.96Å; E120-K122 IonicContact OE2-NZ 2.91Å; K122-R124 PolarHBondContact O-N 3.41Å; K122-S125 PolarHBondContact O-N 3.34Å
123G94.2Very high93.2Very high1 Ų193.8 Ų93.81%0.0145%0.449CS..Hα-helixtrans61.2-131.7173.400000112.8L112 D115 S125 R126 Y127L112-G123 CarbonylContact O-C 3.57Å; L112-G123 WeakPolarHBondContact O-CA 3.41Å; D115-G123 VanDerWaalsContact O-CA 3.27Å; D115-G123 WeakPolarHBondContact O-CA 3.13Å; D115-G123 PolarHBondContact O-N 2.98Å; G123-S125 VanDerWaalsContact C-N 3.27Å; G123-S125 PolarHBondContact O-N 2.91Å; G123-R126 PolarHBondContact O-N 3.44Å; G123-Y127 PolarHBondContact O-N 2.89Å
124R94.5Very high93Very high153 Ų15395.7 Ų95.758%0.57746%0.459SS*.Hα-helixtrans-58.5-34.6178.1-59.1-178.7175.5118.7-2.8113.6L113 K122 Y127 L128L113-R124 HydrophobicContact CD2-CG 4.07Å; K122-R124 PolarHBondContact O-N 3.41Å; R124-Y127 PolarHBondContact O-N 3.43Å; R124-L128 WeakPolarHBondContact O-CG 3.29Å; R124-L128 PolarHBondContact O-N 2.89Å
125S95Very high92.8Very high51 Ų5190.7 Ų90.736%0.35745%0.445SS..Hα-helixtrans-63.2-47.3179-179.10000110.7K122 G123 L128 H129K122-S125 PolarHBondContact O-N 3.34Å; G123-S125 VanDerWaalsContact C-N 3.27Å; G123-S125 PolarHBondContact O-N 2.91Å; S125-L128 PolarHBondContact O-N 3.43Å; S125-H129 WeakPolarHBondContact O-CB 3.3Å; S125-H129 PolarHBondContact O-N 3.38Å
126R94.6Very high92.6Very high108 Ų10890.1 Ų90.141%0.40844%0.442SS..Hα-helixtrans-61.5-45175.3-171.8174.5174.9-170.94112.1L112 D115 G123 L128 H129 D130L112-R126 HydrophobicContact CD1-CG 4.41Å; D115-R126 IonicContact OD2-NH1 2.6Å; G123-R126 PolarHBondContact O-N 3.44Å; R126-L128 VanDerWaalsContact C-N 3.34Å; R126-L128 PolarHBondContact O-N 2.84Å; R126-H129 PolarHBondContact O-N 3.34Å; R126-D130 IonicContact NE-OD2 3.77Å; R126-D130 WeakPolarHBondContact O-CB 3.4Å; R126-D130 PolarHBondContact O-N 2.77Å
127Y95.1Very high92.4Very high24 Ų2490.2 Ų90.29%0.09443%0.43CS..Hα-helixtrans-54.5-48.5175.1166.2-96.8000112.3P105 V109 L110 L113 G123 R124 R131P105-Y127 HydrophobicContact CB-CE2 4.28Å; P105-Y127 HydrophobicContact CG-CE2 4.12Å; P105-Y127 VanDerWaalsContact CG-OH 3.3Å; P105-Y127 WeakPolarHBondContact CG-OH 3.35Å; V109-Y127 HydrophobicContact CG1-CD2 3.54Å; V109-Y127 HydrophobicContact CG1-CE2 3.67Å; V109-Y127 WeakPolarHBondContact O-CD2 3.37Å; L110-Y127 HydrophobicContact CD2-CE2 4.5Å; L113-Y127 HydrophobicContact CD1-CD2 4.43Å; L113-Y127 HydrophobicContact CD1-CE2 4.35Å; L113-Y127 HydrophobicContact CD2-CD1 3.55Å; L113-Y127 HydrophobicContact CD2-CD2 4.06Å; L113-Y127 HydrophobicContact CD2-CE1 3.97Å; L113-Y127 HydrophobicContact CD2-CE2 4.44Å; L113-Y127 HydrophobicContact CD2-CG 3.59Å; L113-Y127 HydrophobicContact CG-CD1 4.31Å; L113-Y127 HydrophobicContact CG-CD2 3.89Å; L113-Y127 HydrophobicContact CG-CE2 4.29Å; L113-Y127 HydrophobicContact CG-CG 3.89Å; G123-Y127 PolarHBondContact O-N 2.89Å; R124-Y127 PolarHBondContact O-N 3.43Å; Y127-R131 VanDerWaalsContact O-CB 3.23Å; Y127-R131 WeakPolarHBondContact O-CB 3.5Å; Y127-R131 PolarHBondContact O-N 3.12Å; Y127-R131 PolarHBondContact OH-NH1 2.72Å
128L94.2Very high92.3Very high111 Ų11189.4 Ų89.458%0.58143%0.426SS*.Hα-helixtrans-66.4-41.5179.8-70175.4000111.6R124 S125 R126 R131 Y132R124-L128 WeakPolarHBondContact O-CG 3.29Å; R124-L128 PolarHBondContact O-N 2.89Å; S125-L128 PolarHBondContact O-N 3.43Å; R126-L128 VanDerWaalsContact C-N 3.34Å; R126-L128 PolarHBondContact O-N 2.84Å; L128-R131 PolarHBondContact O-N 3.4Å; L128-Y132 VanDerWaalsContact O-CB 3.25Å; L128-Y132 WeakPolarHBondContact O-CB 3.05Å; L128-Y132 PolarHBondContact O-N 3.17Å
129H93.4Very high92.2Very high110 Ų11088 Ų8851%0.50941%0.414SS..Hα-helixtrans-63.1-44.3178.3-174.372.3000112S125 R126 Y132 K133S125-H129 WeakPolarHBondContact O-CB 3.3Å; S125-H129 PolarHBondContact O-N 3.38Å; R126-H129 PolarHBondContact O-N 3.34Å; H129-Y132 PolarHBondContact O-N 3.49Å; H129-K133 VanDerWaalsContact CD2-CE 3.49Å; H129-K133 WeakPolarHBondContact CD2-CE 3.48Å; H129-K133 PolarHBondContact CD2-NZ 2.93Å; H129-K133 WeakPolarHBondContact NE2-CE 3.45Å; H129-K133 PolarHBondContact NE2-NZ 3.19Å; H129-K133 PolarHBondContact O-N 3.11Å
130D92.5Very high92.2Very high49 Ų4979.9 Ų79.926%0.26238%0.378SS..Hα-helixtrans-71-38.7178-71.9-20.5000111.5R126 Y132 K133R126-D130 IonicContact NE-OD2 3.77Å; R126-D130 WeakPolarHBondContact O-CB 3.4Å; R126-D130 PolarHBondContact O-N 2.77Å; D130-Y132 VanDerWaalsContact C-N 3.27Å; D130-Y132 PolarHBondContact O-N 3.21Å; D130-K133 PolarHBondContact O-N 3.06Å; D130-K133 IonicContact OD1-NZ 3.66Å; D130-K133 PolarHBondContact OD1-NZ 3.3Å
131R91.9Very high92Very high49 Ų4977.4 Ų77.419%0.18537%0.367CS..Hα-helixtrans-67.6-26.3173.9-165170.5-168.7-165.85.8112.5M102 Y103 Y127 L128 K139M102-R131 VanDerWaalsContact CE-CZ 3.43Å; M102-R131 VanDerWaalsContact CE-NH2 3.26Å; Y103-R131 PolarHBondContact O-NH2 3.02Å; Y103-R131 VanDerWaalsContact O-NH2 3.09Å; Y127-R131 VanDerWaalsContact O-CB 3.23Å; Y127-R131 WeakPolarHBondContact O-CB 3.5Å; Y127-R131 PolarHBondContact O-N 3.12Å; Y127-R131 PolarHBondContact OH-NH1 2.72Å; L128-R131 PolarHBondContact O-N 3.4Å; R131-K139 HydrophobicContact CG-CD 4.47Å; R131-K139 WeakPolarHBondContact O-CE 3.39Å; R131-K139 PolarHBondContact O-NZ 3.18Å
132Y91.4Very high91.9Very high186 Ų18679.5 Ų79.573%0.72937%0.365SS*.Hα-helixtrans-69.9-33.1176.7-178.4-97.4000112.7L128 H129 D130 L134L128-Y132 VanDerWaalsContact O-CB 3.25Å; L128-Y132 WeakPolarHBondContact O-CB 3.05Å; L128-Y132 PolarHBondContact O-N 3.17Å; H129-Y132 PolarHBondContact O-N 3.49Å; D130-Y132 VanDerWaalsContact C-N 3.27Å; D130-Y132 PolarHBondContact O-N 3.21Å; Y132-L134 PolarHBondContact O-N 3Å
133K91.2Very high91.7Very high131 Ų13176.9 Ų76.957%0.5736%0.358SS*.SBendtrans-66.5-22.2178.2-65.9168.7-172.51610113.7H129 D130H129-K133 VanDerWaalsContact CD2-CE 3.49Å; H129-K133 WeakPolarHBondContact CD2-CE 3.48Å; H129-K133 PolarHBondContact CD2-NZ 2.93Å; H129-K133 WeakPolarHBondContact NE2-CE 3.45Å; H129-K133 PolarHBondContact NE2-NZ 3.19Å; H129-K133 PolarHBondContact O-N 3.11Å; D130-K133 PolarHBondContact O-N 3.06Å; D130-K133 IonicContact OD1-NZ 3.66Å; D130-K133 PolarHBondContact OD1-NZ 3.3Å
134L89.6Confident91.4Very high80 Ų8079.8 Ų79.842%0.41938%0.375SS..SBendtrans-74140.8178.5-168.471.3000110.5Y132 D138 K139Y132-L134 PolarHBondContact O-N 3Å; L134-D138 HydrophobicContact CD1-CB 3.78Å; L134-D138 HydrophobicContact CD2-CB 3.71Å; L134-D138 HydrophobicContact CG-CB 3.61Å; L134-K139 HydrophobicContact CD2-CB 4.37Å
135N88.7Confident91.1Very high87 Ų8777.2 Ų77.247%0.46537%0.373SS..  trans-57.4157.3174.8-61.5-43.7000111.2E137 D138N135-E137 VanDerWaalsContact C-N 3.31Å; N135-D138 PolarHBondContact O-N 3.14Å
136L89.4Confident90.8Very high73 Ų7379.8 Ų79.838%0.38239%0.391SS..SBendtrans-68.6-36.2-178.5-65.3175.6000111D138 K139 F140 M148 W152L136-D138 VanDerWaalsContact C-N 3.31Å; L136-D138 PolarHBondContact O-N 2.99Å; L136-K139 WeakPolarHBondContact O-CB 3.25Å; L136-K139 PolarHBondContact O-N 2.88Å; L136-F140 HydrophobicContact CD2-CD2 4.45Å; L136-F140 HydrophobicContact CD2-CE2 4.21Å; L136-F140 PolarHBondContact O-N 2.95Å; L136-M148 HydrophobicContact CB-CE 4.2Å; L136-M148 HydrophobicContact CD1-CE 4.29Å; L136-M148 HydrophobicContact CD1-CG 4.26Å; L136-M148 HydrophobicContact CD2-CE 4.33Å; L136-W152 HydrophobicContact CB-CE3 4.45Å; L136-W152 HydrophobicContact CB-CZ3 3.79Å
137E89Confident90.5Very high48 Ų4878.8 Ų78.822%0.22440%0.4CS..THydrogen-bonded Turntrans-64.2-32.7179.5-6284.9169.200112.9N135 K139 W152 G153N135-E137 VanDerWaalsContact C-N 3.31Å; E137-K139 PolarHBondContact O-N 2.88Å; E137-W152 HydrophobicContact CB-CH2 4.4Å; E137-W152 HydrophobicContact CB-CZ2 4.35Å; E137-W152 HydrophobicContact CG-CD2 4.04Å; E137-W152 HydrophobicContact CG-CE3 4.19Å; E137-W152 HydrophobicContact CG-CH2 4.22Å; E137-W152 HydrophobicContact CG-CZ2 4.09Å; E137-W152 HydrophobicContact CG-CZ3 4.28Å; E137-G153 PolarHBondContact OE1-N 3.41Å
138D89.5Confident90.2Very high89 Ų8978.4 Ų78.448%0.47640%0.4SS..THydrogen-bonded Turntrans-79.3-11.7176.3-63.1-37.1000112.3Y103 L134 N135 L136Y103-D138 WeakPolarHBondContact CD2-O 3.45Å; L134-D138 HydrophobicContact CD1-CB 3.78Å; L134-D138 HydrophobicContact CD2-CB 3.71Å; L134-D138 HydrophobicContact CG-CB 3.61Å; N135-D138 PolarHBondContact O-N 3.14Å; L136-D138 VanDerWaalsContact C-N 3.31Å; L136-D138 PolarHBondContact O-N 2.99Å
139K91.1Very high89.8Confident23 Ų2380 Ų8010%0.140%0.404CS..THydrogen-bonded Turntrans-108.1-38.2-171.6-177.3-176.6-55.6168.90112.5M102 Y103 R131 L134 L136 E137M102-K139 CarbonylContact C-O 3.37Å; M102-K139 VanDerWaalsContact CA-O 3.3Å; M102-K139 WeakPolarHBondContact CA-O 3.1Å; M102-K139 HydrophobicContact CE-CD 3.47Å; M102-K139 VanDerWaalsContact CE-CD 3.47Å; M102-K139 HydrophobicContact CE-CG 3.25Å; Y103-K139 PolarHBondContact N-O 3.47Å; R131-K139 HydrophobicContact CG-CD 4.47Å; R131-K139 WeakPolarHBondContact O-CE 3.39Å; R131-K139 PolarHBondContact O-NZ 3.18Å; L134-K139 HydrophobicContact CD2-CB 4.37Å; L136-K139 WeakPolarHBondContact O-CB 3.25Å; L136-K139 PolarHBondContact O-N 2.88Å; E137-K139 PolarHBondContact O-N 2.88Å
140F91.4Very high89.5Confident36 Ų3684.5 Ų84.516%0.15842%0.418CS..BIsolated β-bridgetrans-116.1144.1-178.5-63.6-90.5000110.4D101 M102 Y103 L136 F142 V144 M148 W152D101-F140 VanDerWaalsContact O-CA 3.29Å; D101-F140 WeakPolarHBondContact O-CA 3.45Å; M102-F140 HydrophobicContact CB-CD1 4.43Å; M102-F140 HydrophobicContact CE-CD1 4.46Å; M102-F140 HydrophobicContact CE-CE1 3.86Å; M102-F140 HydrophobicContact CE-CE2 4.08Å; M102-F140 HydrophobicContact CE-CZ 3.64Å; M102-F140 HydrophobicContact CG-CD1 3.3Å; M102-F140 HydrophobicContact CG-CE1 3.19Å; M102-F140 HydrophobicContact CG-CG 4.15Å; M102-F140 HydrophobicContact CG-CZ 3.99Å; M102-F140 HydrophobicContact SD-CD1 4.34Å; M102-F140 HydrophobicContact SD-CE1 3.64Å; M102-F140 HydrophobicContact SD-CZ 3.95Å; Y103-F140 WeakPolarHBondContact CE2-O 3.49Å; L136-F140 HydrophobicContact CD2-CD2 4.45Å; L136-F140 HydrophobicContact CD2-CE2 4.21Å; L136-F140 PolarHBondContact O-N 2.95Å; F140-F142 VanDerWaalsContact C-N 3.33Å; F140-F142 WeakPolarHBondContact CB-O 3.48Å; F140-V144 HydrophobicContact CD1-CG2 3.62Å; F140-V144 HydrophobicContact CE1-CG2 4.03Å; F140-V144 HydrophobicContact CG-CG2 4.46Å; F140-M148 HydrophobicContact CB-CE 4.22Å; F140-M148 HydrophobicContact CD1-CE 4.47Å; F140-M148 HydrophobicContact CD2-CE 3.49Å; F140-M148 VanDerWaalsContact CD2-CE 3.49Å; F140-M148 HydrophobicContact CE2-CE 3.85Å; F140-M148 HydrophobicContact CG-CE 3.84Å; F140-M148 HydrophobicContact CZ-CE 4.49Å; F140-W152 HydrophobicContact CB-CH2 3.93Å
141Q89.2Confident89.1Confident78 Ų7883.2 Ų83.236%0.36442%0.417SS..SBendtrans-70.6-34.9175.6-67.4-17827.100111.3L100 D101 Y103L100-Q141 VanDerWaalsContact O-CD 3.29Å; L100-Q141 PolarHBondContact O-NE2 2.93Å; D101-Q141 PolarHBondContact O-N 3.04Å; Y103-Q141 HydrophobicContact CD1-CG 4.04Å; Y103-Q141 HydrophobicContact CE1-CG 3.5Å; Y103-Q141 HydrophobicContact CE2-CG 4.1Å
142F89.3Confident89Confident84 Ų8484.4 Ų84.437%0.36842%0.421SS..SBendtrans-144.5158.3-179.450.2-94.3000110.3D101 F140 V144D101-F142 HydrophobicContact CB-CE2 4.49Å; D101-F142 HydrophobicContact CB-CZ 4.15Å; D101-F142 WeakPolarHBondContact OD1-CZ 3.26Å; F140-F142 VanDerWaalsContact C-N 3.33Å; F140-F142 WeakPolarHBondContact CB-O 3.48Å; F142-V144 HydrophobicContact CD2-CG2 4.26Å; F142-V144 HydrophobicContact CE2-CG2 4.09Å; F142-V144 PolarHBondContact O-N 3.49Å; F142-V144 VanDerWaalsContact O-N 3.12Å
143P90.4Very high88.7Confident44 Ų4476.9 Ų76.929%0.28640%0.4SS..  trans-65.3112.8173.926.8-33000109.7M148 W152P143-M148 HydrophobicContact CB-CB 3.64Å; P143-W152 HydrophobicContact CB-CD2 4.11Å; P143-W152 HydrophobicContact CB-CE3 3.93Å; P143-W152 HydrophobicContact CB-CZ3 4.41Å; P143-W152 HydrophobicContact CG-CD2 4.22Å; P143-W152 HydrophobicContact CG-CG 4.31Å
144V87.9Confident88.4Confident61 Ų6174.7 Ų74.737%0.3739%0.391SS..  trans-79.3-29.8-176.8-179.10000111.8D101 F140 F142 M148D101-V144 HydrophobicContact CB-CG2 3.85Å; F140-V144 HydrophobicContact CD1-CG2 3.62Å; F140-V144 HydrophobicContact CE1-CG2 4.03Å; F140-V144 HydrophobicContact CG-CG2 4.46Å; F142-V144 HydrophobicContact CD2-CG2 4.26Å; F142-V144 HydrophobicContact CE2-CG2 4.09Å; F142-V144 PolarHBondContact O-N 3.49Å; F142-V144 VanDerWaalsContact O-N 3.12Å; V144-M148 HydrophobicContact CB-SD 4.27Å
145L89Confident88Confident99 Ų9972.6 Ų72.652%0.51839%0.386SS..SBendtrans-112.4151.3179-67.685.4000110.4S147 M148 E149L145-S147 PolarHBondContact O-N 3.09Å; L145-M148 HydrophobicContact CB-CG 4.18Å; L145-M148 HydrophobicContact CB-SD 4.23Å; L145-M148 HydrophobicContact CD1-SD 3.76Å; L145-M148 WeakPolarHBondContact O-CB 3.42Å; L145-M148 PolarHBondContact O-N 2.97Å; L145-E149 PolarHBondContact O-N 3.25Å
146S88.2Confident87.6Confident105 Ų10573.6 Ų73.673%0.73439%0.391SS*.Hα-helixtrans-58.3-30.2173.855.20000113.2M148 E149S146-M148 VanDerWaalsContact C-N 3.26Å; S146-M148 PolarHBondContact O-N 3.03Å; S146-E149 WeakPolarHBondContact O-CB 3.31Å; S146-E149 PolarHBondContact O-N 3.4Å
147S87.3Confident87.1Confident87 Ų8775 Ų7561%0.60840%0.398SS*.Hα-helixtrans-70.1-20.1174.9580000113.8L145L145-S147 PolarHBondContact O-N 3.09Å
148M88.7Confident86.5Confident17 Ų1777.1 Ų77.18%0.08441%0.41CS..Hα-helixtrans-84.2-23.5176.3-62.4171.969.600112.3L136 F140 P143 V144 L145 S146 Y150 W152L136-M148 HydrophobicContact CB-CE 4.2Å; L136-M148 HydrophobicContact CD1-CE 4.29Å; L136-M148 HydrophobicContact CD1-CG 4.26Å; L136-M148 HydrophobicContact CD2-CE 4.33Å; F140-M148 HydrophobicContact CB-CE 4.22Å; F140-M148 HydrophobicContact CD1-CE 4.47Å; F140-M148 HydrophobicContact CD2-CE 3.49Å; F140-M148 VanDerWaalsContact CD2-CE 3.49Å; F140-M148 HydrophobicContact CE2-CE 3.85Å; F140-M148 HydrophobicContact CG-CE 3.84Å; F140-M148 HydrophobicContact CZ-CE 4.49Å; P143-M148 HydrophobicContact CB-CB 3.64Å; V144-M148 HydrophobicContact CB-SD 4.27Å; L145-M148 HydrophobicContact CB-CG 4.18Å; L145-M148 HydrophobicContact CB-SD 4.23Å; L145-M148 HydrophobicContact CD1-SD 3.76Å; L145-M148 WeakPolarHBondContact O-CB 3.42Å; L145-M148 PolarHBondContact O-N 2.97Å; S146-M148 VanDerWaalsContact C-N 3.26Å; S146-M148 PolarHBondContact O-N 3.03Å; M148-Y150 VanDerWaalsContact C-N 3.26Å; M148-Y150 PolarHBondContact O-N 3.4Å; M148-W152 HydrophobicContact CE-CE3 4.5Å; M148-W152 HydrophobicContact CE-CZ3 3.74Å; M148-W152 WeakPolarHBondContact O-CB 3.3Å
149E87.2Confident85.7Confident144 Ų14477.2 Ų77.267%0.67342%0.418SS*.Hα-helixtrans-61.4-40.4176.7-170.6178.7178.800110.5L145 S146 G151 W152L145-E149 PolarHBondContact O-N 3.25Å; S146-E149 WeakPolarHBondContact O-CB 3.31Å; S146-E149 PolarHBondContact O-N 3.4Å; E149-G151 PolarHBondContact O-N 2.89Å; E149-W152 PolarHBondContact O-N 2.97Å
150Y86.4Confident84.7Confident204 Ų20483.7 Ų83.780%0.845%0.446SS*.THydrogen-bonded Turntrans-69.2115.9169.7-173.1-98.5000110.3M148M148-Y150 VanDerWaalsContact C-N 3.26Å; M148-Y150 PolarHBondContact O-N 3.4Å
151G84.5Confident83.4Confident23 Ų2385.1 Ų85.124%0.23746%0.46CS..THydrogen-bonded Turntrans97-10.5-179.400000114.4E149 G153 H154E149-G151 PolarHBondContact O-N 2.89Å; G151-G153 PolarHBondContact O-N 3.31Å; G151-H154 WeakPolarHBondContact CA-ND1 3.33Å; G151-H154 WeakPolarHBondContact O-CB 3.3Å; G151-H154 VanDerWaalsContact O-CG 3.32Å; G151-H154 PolarHBondContact O-N 3.1Å; G151-H154 PolarHBondContact O-ND1 3.38Å
152W89.2Confident82Confident74 Ų7485.9 Ų85.928%0.2847%0.471SS..THydrogen-bonded Turntrans-59.3127.3-179.9-163.7-99.8000111.4L136 E137 F140 P143 M148 E149 H154L136-W152 HydrophobicContact CB-CE3 4.45Å; L136-W152 HydrophobicContact CB-CZ3 3.79Å; E137-W152 HydrophobicContact CB-CH2 4.4Å; E137-W152 HydrophobicContact CB-CZ2 4.35Å; E137-W152 HydrophobicContact CG-CD2 4.04Å; E137-W152 HydrophobicContact CG-CE3 4.19Å; E137-W152 HydrophobicContact CG-CH2 4.22Å; E137-W152 HydrophobicContact CG-CZ2 4.09Å; E137-W152 HydrophobicContact CG-CZ3 4.28Å; F140-W152 HydrophobicContact CB-CH2 3.93Å; P143-W152 HydrophobicContact CB-CD2 4.11Å; P143-W152 HydrophobicContact CB-CE3 3.93Å; P143-W152 HydrophobicContact CB-CZ3 4.41Å; P143-W152 HydrophobicContact CG-CD2 4.22Å; P143-W152 HydrophobicContact CG-CG 4.31Å; M148-W152 HydrophobicContact CE-CE3 4.5Å; M148-W152 HydrophobicContact CE-CZ3 3.74Å; M148-W152 WeakPolarHBondContact O-CB 3.3Å; E149-W152 PolarHBondContact O-N 2.97Å; W152-H154 VanDerWaalsContact C-N 3.25Å; W152-H154 PolarHBondContact O-N 2.65Å
153G85.8Confident80.3Confident27 Ų2786.1 Ų86.128%0.27849%0.488SS..THydrogen-bonded Turntrans76.86-177.300000114.4E137 G151 A155E137-G153 PolarHBondContact OE1-N 3.41Å; G151-G153 PolarHBondContact O-N 3.31Å; G153-A155 VanDerWaalsContact C-N 3.26Å; G153-A155 PolarHBondContact O-N 2.99Å
154H85.1Confident78.7Confident85 Ų8591.1 Ų91.139%0.39451%0.508SS..Hα-helixtrans-70.5-22.2176.4-75.759.4000112.7G151 W152 D156 L157 I158G151-H154 WeakPolarHBondContact CA-ND1 3.33Å; G151-H154 WeakPolarHBondContact O-CB 3.3Å; G151-H154 VanDerWaalsContact O-CG 3.32Å; G151-H154 PolarHBondContact O-N 3.1Å; G151-H154 PolarHBondContact O-ND1 3.38Å; W152-H154 VanDerWaalsContact C-N 3.25Å; W152-H154 PolarHBondContact O-N 2.65Å; H154-D156 PolarHBondContact O-N 2.88Å; H154-L157 CarbonylContact O-C 3.06Å; H154-L157 PolarHBondContact O-N 3.44Å; H154-L157 VanDerWaalsContact O-N 3.08Å; H154-I158 HydrophobicContact CB-CD1 4.2Å; H154-I158 WeakPolarHBondContact O-CB 3.36Å; H154-I158 VanDerWaalsContact O-CG1 3.23Å; H154-I158 WeakPolarHBondContact O-CG1 3.42Å; H154-I158 PolarHBondContact O-N 3.38Å
155A81.2Confident77.6Confident36 Ų3693.3 Ų93.330%0.29853%0.526SS..Hα-helixtrans-53.5-42.5175.400000112.2G153 S159G153-A155 VanDerWaalsContact C-N 3.26Å; G153-A155 PolarHBondContact O-N 2.99Å; A155-S159 WeakPolarHBondContact O-CB 3.42Å; A155-S159 PolarHBondContact O-N 3Å
156D80.6Confident76.7Confident109 Ų10998.3 Ų98.358%0.58354%0.538SS*.Hα-helixtrans-70.1-35.8177.9-72.1-13.7000112.6H154 K160H154-D156 PolarHBondContact O-N 2.88Å; D156-K160 WeakPolarHBondContact O-CD 3.38Å; D156-K160 VanDerWaalsContact O-CG 3.23Å; D156-K160 WeakPolarHBondContact O-CG 3.43Å; D156-K160 PolarHBondContact O-N 3.13Å
157L79.2Confident76.1Confident102 Ų102102.6 Ų102.653%0.53454%0.543SS..Hα-helixtrans-71.4-40.7177-69.7163.7000111.5H154 K160 S161H154-L157 CarbonylContact O-C 3.06Å; H154-L157 PolarHBondContact O-N 3.44Å; H154-L157 VanDerWaalsContact O-N 3.08Å; L157-K160 PolarHBondContact O-N 3.25Å; L157-S161 VanDerWaalsContact O-CB 3.29Å; L157-S161 WeakPolarHBondContact O-CB 3.23Å; L157-S161 PolarHBondContact O-N 3.18Å; L157-S161 PolarHBondContact O-OG 3.01Å
158I76Confident75.8Confident93 Ų93107.7 Ų107.748%0.47756%0.555SS.*Hα-helixtrans-67.3-45.5177.1-66.8166.7000109.3H154 K160 S161 T162H154-I158 HydrophobicContact CB-CD1 4.2Å; H154-I158 WeakPolarHBondContact O-CB 3.36Å; H154-I158 VanDerWaalsContact O-CG1 3.23Å; H154-I158 WeakPolarHBondContact O-CG1 3.42Å; H154-I158 PolarHBondContact O-N 3.38Å; I158-K160 VanDerWaalsContact C-N 3.27Å; I158-K160 PolarHBondContact O-N 3.42Å; I158-S161 WeakPolarHBondContact CA-OG 3.32Å; I158-S161 CarbonylContact O-C 3.59Å; I158-S161 PolarHBondContact O-N 3.02Å; I158-S161 PolarHBondContact O-OG 3.04Å; I158-T162 VanDerWaalsContact CG2-OG1 3.23Å; I158-T162 WeakPolarHBondContact CG2-OG1 3.28Å; I158-T162 VanDerWaalsContact O-CB 3.32Å; I158-T162 WeakPolarHBondContact O-CB 3.22Å; I158-T162 PolarHBondContact O-N 3.22Å; I158-T162 PolarHBondContact O-OG1 3.31Å
159S72Confident75.4Confident91 Ų91108.5 Ų108.564%0.63657%0.567SS**Hα-helixtrans-56.1-43.2176.3-177.40000112A155A155-S159 WeakPolarHBondContact O-CB 3.42Å; A155-S159 PolarHBondContact O-N 3Å
160K70.2Confident75.3Confident159 Ų159113.8 Ų113.869%0.69158%0.581SS**Hα-helixtrans-69.7-32.5176.4-68.9168.3-171.9171.80113.3D156 L157 I158D156-K160 WeakPolarHBondContact O-CD 3.38Å; D156-K160 VanDerWaalsContact O-CG 3.23Å; D156-K160 WeakPolarHBondContact O-CG 3.43Å; D156-K160 PolarHBondContact O-N 3.13Å; L157-K160 PolarHBondContact O-N 3.25Å; I158-K160 VanDerWaalsContact C-N 3.27Å; I158-K160 PolarHBondContact O-N 3.42Å
161S64.6Low75.1Confident65 Ų65111.9 Ų111.946%0.45558%0.58SS.*Hα-helixtrans-93.8-21.6-175.962.40000114.8L157 I158 A163 Q164L157-S161 VanDerWaalsContact O-CB 3.29Å; L157-S161 WeakPolarHBondContact O-CB 3.23Å; L157-S161 PolarHBondContact O-N 3.18Å; L157-S161 PolarHBondContact O-OG 3.01Å; I158-S161 WeakPolarHBondContact CA-OG 3.32Å; I158-S161 CarbonylContact O-C 3.59Å; I158-S161 PolarHBondContact O-N 3.02Å; I158-S161 PolarHBondContact O-OG 3.04Å; S161-A163 PolarHBondContact O-N 3.48Å; S161-Q164 CarbonylContact O-C 3.57Å; S161-Q164 WeakPolarHBondContact O-CA 3.38Å; S161-Q164 WeakPolarHBondContact O-CB 3.46Å; S161-Q164 PolarHBondContact O-N 3.43Å
162T58.8Low75Confident94 Ų94114.6 Ų114.658%0.57759%0.594SS**Hα-helixtrans-71.1-22.6-178.9-50.50000111.5I158 Q164 S165I158-T162 VanDerWaalsContact CG2-OG1 3.23Å; I158-T162 WeakPolarHBondContact CG2-OG1 3.28Å; I158-T162 VanDerWaalsContact O-CB 3.32Å; I158-T162 WeakPolarHBondContact O-CB 3.22Å; I158-T162 PolarHBondContact O-N 3.22Å; I158-T162 PolarHBondContact O-OG1 3.31Å; T162-Q164 PolarHBondContact O-N 3.12Å; T162-Q164 VanDerWaalsContact O-N 3.08Å; T162-S165 PolarHBondContact O-N 3.14Å
163A54.5Low74.8Confident90 Ų90115.4 Ų115.474%0.74461%0.607SS**THydrogen-bonded Turntrans-60.3-14.1165.200000113.1S161S161-A163 PolarHBondContact O-N 3.48Å
164Q56.5Low74.8Confident149 Ų149119.7 Ų119.770%0.69662%0.622SS**THydrogen-bonded Turntrans-121.554.5-178.9-60.7-101.1-32.900110S161 T162 R166S161-Q164 CarbonylContact O-C 3.57Å; S161-Q164 WeakPolarHBondContact O-CA 3.38Å; S161-Q164 WeakPolarHBondContact O-CB 3.46Å; S161-Q164 PolarHBondContact O-N 3.43Å; T162-Q164 PolarHBondContact O-N 3.12Å; T162-Q164 VanDerWaalsContact O-N 3.08Å; Q164-R166 VanDerWaalsContact C-N 3.34Å; Q164-R166 PolarHBondContact O-N 2.77Å
165S65.2Low74.8Confident107 Ų107121.7 Ų121.775%0.74863%0.632SS**  trans-53.5110.8152-177.90000106.3T162 K167T162-S165 PolarHBondContact O-N 3.14Å; S165-K167 PolarHBondContact O-N 3.26Å
166R70.1Confident74.7Confident204 Ų204126 Ų12677%0.7765%0.65SS**  trans-60112.1-170.9-64.6-178.8-172.3168.53.1106.9Q164 F168 G169Q164-R166 VanDerWaalsContact C-N 3.34Å; Q164-R166 PolarHBondContact O-N 2.77Å; R166-F168 PolarHBondContact O-N 3.21Å; R166-G169 PolarHBondContact O-N 3.19Å
167K75.8Confident74.7Confident194 Ų194123.6 Ų123.684%0.84364%0.642SS**THydrogen-bonded Turntrans-49.9-26.2179.2-66.4-176.3179.5-179.10113S165S165-K167 PolarHBondContact O-N 3.26Å
168F81.2Confident74.8Confident194 Ų194126.4 Ų126.485%0.85165%0.65SS**THydrogen-bonded Turntrans-126.931.2-179.9-51.1-70.6000112.7R166R166-F168 PolarHBondContact O-N 3.21Å
169G80.4Confident75Confident34 Ų34130.2 Ų130.235%0.35166%0.659SS.*PPolyproline II helixtrans-63135.1174.400000111.1R166 Q171R166-G169 PolarHBondContact O-N 3.19Å; G169-Q171 PolarHBondContact O-N 3.31Å
170R83.5Confident75.3Confident256 Ų256130.6 Ų130.697%0.96665%0.647SS**PPolyproline II helixtrans-64.3125.9171.8-64.9-176.6179.1-165.4-0.6108.5
171Q83Confident75.6Confident164 Ų164134.4 Ų134.477%0.76666%0.657SS**PPolyproline II helixtrans-94.9147.8172.2-67.9175.6-26.700109.2G169 V173G169-Q171 PolarHBondContact O-N 3.31Å; Q171-V173 HydrophobicContact CB-CG2 4.12Å; Q171-V173 PolarHBondContact O-N 3.15Å
172C82.2Confident76.3Confident80 Ų80134.6 Ų134.654%0.54166%0.656SS.*  trans-78.558.2176.6-74.90000111.6I174 E175 D176C172-I174 PolarHBondContact O-N 3.37Å; C172-I174 VanDerWaalsContact O-N 3.16Å; C172-E175 HydrophobicContact CB-CB 4.16Å; C172-E175 PolarHBondContact O-N 3.45Å; C172-E175 VanDerWaalsContact O-N 3.09Å; C172-D176 PolarHBondContact O-N 3.09Å; C172-D176 VanDerWaalsContact O-N 3.15Å
173V85.6Confident77.2Confident91 Ų91133 Ų13355%0.55266%0.658SS**Hα-helixtrans-56.8-36.4-176.1-177.10000112Q171 S177Q171-V173 HydrophobicContact CB-CG2 4.12Å; Q171-V173 PolarHBondContact O-N 3.15Å; V173-S177 WeakPolarHBondContact O-CB 3.33Å; V173-S177 PolarHBondContact O-N 2.99Å; V173-S177 PolarHBondContact O-OG 2.76Å
174I85.4Confident78.1Confident116 Ų116130.7 Ų130.760%0.59563%0.633SS**Hα-helixtrans-66.9-44.3179.9-61.7174.9000110.8C172 S177 F178C172-I174 PolarHBondContact O-N 3.37Å; C172-I174 VanDerWaalsContact O-N 3.16Å; I174-S177 PolarHBondContact O-N 2.61Å; I174-F178 HydrophobicContact CB-CD2 4.44Å; I174-F178 HydrophobicContact CG2-CB 4.5Å; I174-F178 HydrophobicContact CG2-CD2 3.83Å; I174-F178 HydrophobicContact CG2-CE2 4.4Å; I174-F178 HydrophobicContact CG2-CG 4.29Å; I174-F178 VanDerWaalsContact O-CB 3.27Å; I174-F178 WeakPolarHBondContact O-CB 3.27Å; I174-F178 WeakPolarHBondContact O-CD2 3.05Å; I174-F178 PolarHBondContact O-N 3.2Å
175E84.9Confident78.9Confident127 Ų127126.6 Ų126.659%0.59362%0.619SS**Hα-helixtrans-64.1-49.8-178.1-168.7175175.800110.6C172 S177 Y179C172-E175 HydrophobicContact CB-CB 4.16Å; C172-E175 PolarHBondContact O-N 3.45Å; C172-E175 VanDerWaalsContact O-N 3.09Å; E175-S177 VanDerWaalsContact C-N 3.29Å; E175-S177 PolarHBondContact O-N 2.86Å; E175-Y179 PolarHBondContact O-N 3.37Å; E175-Y179 VanDerWaalsContact O-N 3.14Å
176D80Confident79.1Confident128 Ų128128.1 Ų128.168%0.68461%0.612SS**Hα-helixtrans-64.6-32-178.6-62.6-22000112.5C172C172-D176 PolarHBondContact O-N 3.09Å; C172-D176 VanDerWaalsContact O-N 3.15Å
177S80Confident79.3Confident58 Ų58126.8 Ų126.841%0.40661%0.612SS.*Hα-helixtrans-93.2-38-177.362.40000114.7V173 I174 E175V173-S177 WeakPolarHBondContact O-CB 3.33Å; V173-S177 PolarHBondContact O-N 2.99Å; V173-S177 PolarHBondContact O-OG 2.76Å; I174-S177 PolarHBondContact O-N 2.61Å; E175-S177 VanDerWaalsContact C-N 3.29Å; E175-S177 PolarHBondContact O-N 2.86Å
178F80.4Confident78.9Confident160 Ų160123.3 Ų123.370%0.70260%0.599SS**Hα-helixtrans-89-32.4-174.9-78.1-103.8000113.1I174I174-F178 HydrophobicContact CB-CD2 4.44Å; I174-F178 HydrophobicContact CG2-CB 4.5Å; I174-F178 HydrophobicContact CG2-CD2 3.83Å; I174-F178 HydrophobicContact CG2-CE2 4.4Å; I174-F178 HydrophobicContact CG2-CG 4.29Å; I174-F178 VanDerWaalsContact O-CB 3.27Å; I174-F178 WeakPolarHBondContact O-CB 3.27Å; I174-F178 WeakPolarHBondContact O-CD2 3.05Å; I174-F178 PolarHBondContact O-N 3.2Å
179Y81.5Confident78.2Confident173 Ų173114.6 Ų114.668%0.67856%0.564SS**  trans-110.3130.9-173.8-57.7-82.1000110.7E175E175-Y179 PolarHBondContact O-N 3.37Å; E175-Y179 VanDerWaalsContact O-N 3.14Å
180R78.5Confident77.4Confident99 Ų99117.3 Ų117.337%0.37458%0.582SS.*  trans-111.7142.3172.7-72.2179.3168.7-96-22108.5T182 G183 I184 F186R180-T182 PolarHBondContact O-N 3.36Å; R180-G183 PolarHBondContact O-N 3.14Å; R180-I184 WeakPolarHBondContact CD-O 3.18Å; R180-F186 VanDerWaalsContact CZ-CE1 3.46Å
181R76.7Confident76.5Confident239 Ų239108.7 Ų108.790%0.90257%0.573SS**THydrogen-bonded Turntrans-52.5-32.9176.7-164.2179.188.6159.74.3112.8
182T78.2Confident75.6Confident70 Ų70105.3 Ų105.343%0.42956%0.559SS.*THydrogen-bonded Turntrans-91-9.5-179.957.90000113.8R180 I184 L195R180-T182 PolarHBondContact O-N 3.36Å; T182-I184 PolarHBondContact O-N 3.09Å; T182-I184 VanDerWaalsContact O-N 3.09Å; T182-L195 HydrophobicContact CG2-CD2 3.97Å
183G77Confident74.6Confident61 Ų61110.2 Ų110.263%0.62958%0.579SS**  trans65.82.6-17500000115.1R180 P185R180-G183 PolarHBondContact O-N 3.14Å; G183-P185 WeakPolarHBondContact O-CD 3.32Å
184I74.5Confident73.5Confident41 Ų41107.7 Ų107.721%0.2157%0.57CS.*  trans-80.9123.2-173.9-60.8160.8000109.6R180 T182 H188 M192 L195R180-I184 WeakPolarHBondContact CD-O 3.18Å; T182-I184 PolarHBondContact O-N 3.09Å; T182-I184 VanDerWaalsContact O-N 3.09Å; I184-H188 HydrophobicContact CG2-CB 3.76Å; I184-M192 HydrophobicContact CD1-CE 3.99Å; I184-M192 HydrophobicContact CD1-SD 3.61Å; I184-M192 HydrophobicContact CG2-SD 4.44Å; I184-L195 HydrophobicContact CD1-CD1 4.11Å
185P73.1Confident72.2Confident63 Ų63104 Ų10441%0.40955%0.552SS.*  trans-65.8143.6175.326.5-33.4000110.9G183 K187 H188 G189G183-P185 WeakPolarHBondContact O-CD 3.32Å; P185-K187 HydrophobicContact CB-CG 4.25Å; P185-K187 PolarHBondContact O-N 2.91Å; P185-H188 PolarHBondContact O-N 3.24Å; P185-G189 PolarHBondContact O-N 3.18Å
186F70.4Confident71Confident139 Ų139104 Ų10461%0.6156%0.556SS**Hα-helixtrans-42.5-44.7-175-68.7-94000114.8R180 H188 G189 A190R180-F186 VanDerWaalsContact CZ-CE1 3.46Å; F186-H188 PolarHBondContact O-N 3.08Å; F186-H188 VanDerWaalsContact O-N 3.17Å; F186-G189 PolarHBondContact O-N 3.45Å; F186-G189 VanDerWaalsContact O-N 3.15Å; F186-A190 PolarHBondContact O-N 3.26Å
187K73.9Confident70Confident175 Ų175106.2 Ų106.276%0.76156%0.56SS**Hα-helixtrans-57.5-26.7179.346177175.2-175.90114.8P185P185-K187 HydrophobicContact CB-CG 4.25Å; P185-K187 PolarHBondContact O-N 2.91Å
188H67.1Low69Low122 Ų122112 Ų11257%0.56557%0.574SS**Hα-helixtrans-98.3-25.6177.6-66.186.6000112.5I184 P185 F186I184-H188 HydrophobicContact CG2-CB 3.76Å; P185-H188 PolarHBondContact O-N 3.24Å; F186-H188 PolarHBondContact O-N 3.08Å; F186-H188 VanDerWaalsContact O-N 3.17Å
189G65.9Low67.5Low11 Ų11107.7 Ų107.711%0.11356%0.564CS.*Hα-helixtrans-72.4-28.1-17900000114.3P185 F186 G191 M192P185-G189 PolarHBondContact O-N 3.18Å; F186-G189 PolarHBondContact O-N 3.45Å; F186-G189 VanDerWaalsContact O-N 3.15Å; G189-G191 PolarHBondContact O-N 3.32Å; G189-G191 VanDerWaalsContact O-N 3.1Å; G189-M192 PolarHBondContact O-N 3.07Å
190A64.6Low65.7Low90 Ų90112.6 Ų112.674%0.74459%0.589SS**THydrogen-bonded Turntrans-62.4-18.7-175.900000114.8F186F186-A190 PolarHBondContact O-N 3.26Å
191G64.9Low65Low75 Ų75113.3 Ų113.377%0.77360%0.6SS**THydrogen-bonded Turntrans-97.9-2.917400000114.4G189G189-G191 PolarHBondContact O-N 3.32Å; G189-G191 VanDerWaalsContact O-N 3.1Å
192M62.3Low64.4Low94 Ų94106.7 Ų106.746%0.46358%0.584SS.*SBendtrans-95105.6-174.5-65-174.273.300110.6I184 G189 G194 L195I184-M192 HydrophobicContact CD1-CE 3.99Å; I184-M192 HydrophobicContact CD1-SD 3.61Å; I184-M192 HydrophobicContact CG2-SD 4.44Å; G189-M192 PolarHBondContact O-N 3.07Å; M192-G194 PolarHBondContact O-N 3.44Å; M192-G194 VanDerWaalsContact O-N 3.13Å; M192-L195 HydrophobicContact CB-CD1 3.83Å; M192-L195 HydrophobicContact CB-CG 4.19Å; M192-L195 HydrophobicContact CG-CD1 4.5Å; M192-L195 PolarHBondContact O-N 3.29Å; M192-L195 HydrophobicContact SD-CD1 4.15Å
193L61.4Low63.6Low183 Ų183108.7 Ų108.796%0.95859%0.592SS**THydrogen-bonded Turntrans-48.1118.7171-78.8158.9000110.5
194G63.3Low62.9Low37 Ų37111.5 Ų111.538%0.38159%0.59SS.*THydrogen-bonded Turntrans106.3-6.3171.600000116.4M192M192-G194 PolarHBondContact O-N 3.44Å; M192-G194 VanDerWaalsContact O-N 3.13Å
195L58.9Low62.1Low38 Ų38115.9 Ų115.920%0.19961%0.614CS.*SBendtrans-78.9-23.3172.6-68.3-178.7000113.3T182 I184 M192 K197 Y198T182-L195 HydrophobicContact CG2-CD2 3.97Å; I184-L195 HydrophobicContact CD1-CD1 4.11Å; M192-L195 HydrophobicContact CB-CD1 3.83Å; M192-L195 HydrophobicContact CB-CG 4.19Å; M192-L195 HydrophobicContact CG-CD1 4.5Å; M192-L195 PolarHBondContact O-N 3.29Å; M192-L195 HydrophobicContact SD-CD1 4.15Å; L195-K197 PolarHBondContact O-N 3.2Å; L195-Y198 PolarHBondContact O-N 3.44Å; L195-Y198 VanDerWaalsContact O-N 3.16Å
196D59.4Low61.4Low128 Ų128119.5 Ų119.568%0.68463%0.628SS**G310 helixtrans-62.9-23.8177.9-58.4-16000112.7Y198D196-Y198 PolarHBondContact O-N 2.94Å
197K59Low60.8Low175 Ų175118.1 Ų118.176%0.76163%0.629SS**G310 helixtrans-74.4-6.3179.9-59.3-167.7-175.3-175.90113.9L195L195-K197 PolarHBondContact O-N 3.2Å
198Y57.3Low59.7Low179 Ų179113.7 Ų113.770%0.70262%0.619SS**G310 helixtrans-126.113.6-176.1-62.9-73.6000113.5L195 D196 F200L195-Y198 PolarHBondContact O-N 3.44Å; L195-Y198 VanDerWaalsContact O-N 3.16Å; D196-Y198 PolarHBondContact O-N 2.94Å; Y198-F200 PolarHBondContact O-N 3.23Å
199S49.6Very low59.1Low70 Ų70113 Ų11349%0.4962%0.623SS.*  trans-89.2102.1170.1-65.20000109.3
200F43.1Very low58.5Low276 Ų276122.3 Ų122.3100%1.21167%0.67SS**  trans-103.90150.9-70.7-79.2000107.7Y198Y198-F200 PolarHBondContact O-N 3.23Å

Retrieved 200 of 200 residues in 275.8 ms (Link to these results)

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