A0A087WQB3_MOUSE Loading...

Activating transcription factor 7 interacting protein

AlphaFold DB , UniProt , Accession A0A087WQB3, Species MOUSE (Mus musculus, Mouse), Gene Atf7ip, Length 157 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
1M46.6Very low51.8Low234 Ų234175.5 Ų175.5100%1.15383%0.829SS**  0104.80-94.3-149.5168.200106.3
2D45.7Very low53Low167 Ų167170.3 Ų170.389%0.89381%0.807SS**  trans-153.498.9166.9-79.5-53.1000106.9
3S45.9Very low53.5Low111 Ų111167.5 Ų167.578%0.77680%0.8SS**  trans-104.4104.2173.1-172.70000107.6E5S3-E5 PolarHBondContact O-N 3.08Å; S3-E5 VanDerWaalsContact O-N 3.08Å
4V52Low54.1Low132 Ų132165.9 Ų165.980%0.879%0.791SS**  trans-7691.3173.7-178.20000107.7S6V4-S6 PolarHBondContact O-N 2.91Å
5E48.3Very low54.7Low164 Ų164162.1 Ų162.177%0.76677%0.772SS**  trans-65.5100.9170.7-80.9176.2157.300109.7S3 K7S3-E5 PolarHBondContact O-N 3.08Å; S3-E5 VanDerWaalsContact O-N 3.08Å; E5-K7 PolarHBondContact O-N 3.01Å
6S55.5Low55.6Low113 Ų113160.9 Ų160.979%0.7976%0.759SS**  trans-60.197.6163.5-78.60000109.1V4 R8V4-S6 PolarHBondContact O-N 2.91Å; S6-R8 VanDerWaalsContact C-N 3.31Å; S6-R8 PolarHBondContact O-N 3.1Å
7K50.6Low56.5Low197 Ų197158 Ų15886%0.85775%0.745SS**  trans-61.191.3170.6-83.9178.4177.3171.40109.7E5 R9E5-K7 PolarHBondContact O-N 3.01Å; K7-R9 VanDerWaalsContact C-N 3.28Å; K7-R9 PolarHBondContact O-N 3.07Å
8R53.4Low57.4Low237 Ų237152.3 Ų152.389%0.89473%0.729SS**  trans-68.191.3164-158.8176.6-170-1732.1107.2S6 R10S6-R8 VanDerWaalsContact C-N 3.31Å; S6-R8 PolarHBondContact O-N 3.1Å; R8-R10 PolarHBondContact O-N 2.92Å
9R56Low58.2Low214 Ų214149.3 Ų149.381%0.80871%0.714SS**  trans-60.1109.7175.6-158.5-176.3-73.1-149.41.4106.9K7 Y11K7-R9 VanDerWaalsContact C-N 3.28Å; K7-R9 PolarHBondContact O-N 3.07Å; R9-Y11 PolarHBondContact O-N 2.83Å; R9-Y11 VanDerWaalsContact O-N 3.1Å
10R59.2Low58.8Low233 Ų233148.1 Ų148.188%0.87971%0.706SS**  trans-72.997.8175.7-72.3-171.6-79-175.3-3.7107.4R8R8-R10 PolarHBondContact O-N 2.92Å
11Y56.7Low59.3Low129 Ų129146.7 Ų146.751%0.50670%0.698SS.*  trans-68.2133.9164.9-105.6-95000108.1R9 E15 Y16R9-Y11 PolarHBondContact O-N 2.83Å; R9-Y11 VanDerWaalsContact O-N 3.1Å; Y11-E15 HydrophobicContact CD1-CB 4.15Å; Y11-E15 HydrophobicContact CE1-CB 4.48Å; Y11-Y16 VanDerWaalsContact CB-CE2 3.45Å; Y11-Y16 HydrophobicContact CD1-CD2 4.19Å; Y11-Y16 HydrophobicContact CD1-CE2 4.12Å; Y11-Y16 HydrophobicContact CG-CD2 4.25Å; Y11-Y16 AromaticContact CG-CE2 3.85Å; Y11-Y16 HydrophobicContact CG-CE2 3.85Å
12M65.7Low60.5Low113 Ų113140 Ų14056%0.55767%0.671SS**  trans-76.2141.7178.3-63.8-66.8-7800109.1E14 E15 Y16M12-E14 PolarHBondContact O-N 3.16Å; M12-E14 VanDerWaalsContact O-N 3.14Å; M12-E15 PolarHBondContact O-N 2.69Å; M12-Y16 PolarHBondContact O-N 2.83Å
13D60.5Low61.7Low134 Ų134137.9 Ų137.972%0.71765%0.654SS**Hα-helixtrans-55.2-33.9-176-137.615.1000111.8E15 Y16 E17D13-E15 PolarHBondContact O-N 3.36Å; D13-Y16 PolarHBondContact O-N 3.43Å; D13-E17 WeakPolarHBondContact O-CB 3.3Å; D13-E17 PolarHBondContact O-N 3.41Å
14E61.9Low62.8Low144 Ų144137.1 Ų137.167%0.67364%0.64SS**Hα-helixtrans-65.6-32177.9-67.5122.1175.400114M12 A18M12-E14 PolarHBondContact O-N 3.16Å; M12-E14 VanDerWaalsContact O-N 3.14Å; E14-A18 VanDerWaalsContact O-CB 3.29Å; E14-A18 WeakPolarHBondContact O-CB 3.49Å; E14-A18 PolarHBondContact O-N 2.93Å
15E62.6Low63.4Low110 Ų110135.8 Ų135.851%0.51463%0.632SS.*Hα-helixtrans-75.6-35.8177-71.3176.3154.900111.3Y11 M12 D13 E19Y11-E15 HydrophobicContact CD1-CB 4.15Å; Y11-E15 HydrophobicContact CE1-CB 4.48Å; M12-E15 PolarHBondContact O-N 2.69Å; D13-E15 PolarHBondContact O-N 3.36Å; E15-E19 WeakPolarHBondContact O-CB 3.14Å; E15-E19 PolarHBondContact O-N 3.04Å
16Y69.6Low64.5Low143 Ų143131.6 Ų131.656%0.56163%0.625SS**Hα-helixtrans-65.8-44.1173.4-101.7-78.4000111.5Y11 M12 D13 E19 F20Y11-Y16 VanDerWaalsContact CB-CE2 3.45Å; Y11-Y16 HydrophobicContact CD1-CD2 4.19Å; Y11-Y16 HydrophobicContact CD1-CE2 4.12Å; Y11-Y16 HydrophobicContact CG-CD2 4.25Å; Y11-Y16 AromaticContact CG-CE2 3.85Å; Y11-Y16 HydrophobicContact CG-CE2 3.85Å; M12-Y16 PolarHBondContact O-N 2.83Å; D13-Y16 PolarHBondContact O-N 3.43Å; Y16-E19 PolarHBondContact O-N 3.41Å; Y16-F20 VanDerWaalsContact O-CB 3.3Å; Y16-F20 WeakPolarHBondContact O-CB 3.3Å; Y16-F20 PolarHBondContact O-N 3.4Å
17E70.3Confident65.3Low111 Ų111132.3 Ų132.352%0.51961%0.614SS.*Hα-helixtrans-61.6-44176.4-166.475.2-147.300110.9D13 F20 Q21D13-E17 WeakPolarHBondContact O-CB 3.3Å; D13-E17 PolarHBondContact O-N 3.41Å; E17-F20 PolarHBondContact O-N 3.41Å; E17-Q21 WeakPolarHBondContact O-CG 3.49Å; E17-Q21 PolarHBondContact O-N 3.43Å
18A73.4Confident66.6Low55 Ų55124.6 Ų124.646%0.45559%0.591SS.*Hα-helixtrans-66.5-45.1178.400000112.8E14 F20 Q21 V22E14-A18 VanDerWaalsContact O-CB 3.29Å; E14-A18 WeakPolarHBondContact O-CB 3.49Å; E14-A18 PolarHBondContact O-N 2.93Å; A18-F20 VanDerWaalsContact C-N 3.28Å; A18-F20 PolarHBondContact O-N 3.17Å; A18-Q21 PolarHBondContact O-N 3.39Å; A18-V22 VanDerWaalsContact O-CG2 3.3Å; A18-V22 WeakPolarHBondContact O-CG2 3.44Å; A18-V22 PolarHBondContact O-N 3.43Å
19E71.3Confident67.9Low96 Ų96117.2 Ų117.245%0.44957%0.569SS.*Hα-helixtrans-62.8-39.2177.1-163.4-163.4148.300111.1E15 Y16 V22 K23E15-E19 WeakPolarHBondContact O-CB 3.14Å; E15-E19 PolarHBondContact O-N 3.04Å; Y16-E19 PolarHBondContact O-N 3.41Å; E19-V22 PolarHBondContact O-N 3.02Å; E19-K23 WeakPolarHBondContact O-CB 3.29Å; E19-K23 PolarHBondContact O-N 2.98Å; E19-K23 IonicContact OE1-NZ 2.88Å; E19-K23 PolarHBondContact OE1-NZ 3.3Å
20F70.9Confident69.3Low125 Ų125112 Ų11255%0.54856%0.556SS.*Hα-helixtrans-66.1-45.2178.7-171.5-109.2000112.2Y16 E17 A18 V22 K23 I24Y16-F20 VanDerWaalsContact O-CB 3.3Å; Y16-F20 WeakPolarHBondContact O-CB 3.3Å; Y16-F20 PolarHBondContact O-N 3.4Å; E17-F20 PolarHBondContact O-N 3.41Å; A18-F20 VanDerWaalsContact C-N 3.28Å; A18-F20 PolarHBondContact O-N 3.17Å; F20-V22 VanDerWaalsContact C-N 3.31Å; F20-V22 PolarHBondContact O-N 3.5Å; F20-K23 WeakPolarHBondContact O-CB 3.3Å; F20-K23 PolarHBondContact O-N 2.95Å; F20-I24 HydrophobicContact CD1-CD1 3.77Å; F20-I24 HydrophobicContact CD1-CG1 4.49Å; F20-I24 HydrophobicContact CE1-CD1 3.27Å; F20-I24 HydrophobicContact CE1-CG1 4.23Å; F20-I24 HydrophobicContact CE2-CD1 4.45Å; F20-I24 HydrophobicContact CZ-CD1 3.66Å; F20-I24 HydrophobicContact CZ-CG1 4.33Å; F20-I24 WeakPolarHBondContact O-CG1 3.37Å; F20-I24 PolarHBondContact O-N 3.43Å
21Q69.9Low70.5Confident118 Ų118105.9 Ų105.955%0.55154%0.541SS*.Hα-helixtrans-61.1-39.1174.9-76.1-160.64600112.4E17 A18 I24 T25E17-Q21 WeakPolarHBondContact O-CG 3.49Å; E17-Q21 PolarHBondContact O-N 3.43Å; A18-Q21 PolarHBondContact O-N 3.39Å; Q21-I24 PolarHBondContact O-N 3.41Å; Q21-T25 WeakPolarHBondContact O-CB 3.5Å; Q21-T25 PolarHBondContact O-N 3.01Å; Q21-T25 PolarHBondContact O-OG1 3.14Å
22V71.4Confident72Confident95 Ų95104.8 Ų104.858%0.57654%0.54SS*.Hα-helixtrans-64.4-41.6174.1173.30000111.3A18 E19 F20 I24 T25 A26A18-V22 VanDerWaalsContact O-CG2 3.3Å; A18-V22 WeakPolarHBondContact O-CG2 3.44Å; A18-V22 PolarHBondContact O-N 3.43Å; E19-V22 PolarHBondContact O-N 3.02Å; F20-V22 VanDerWaalsContact C-N 3.31Å; F20-V22 PolarHBondContact O-N 3.5Å; V22-I24 VanDerWaalsContact C-N 3.32Å; V22-I24 PolarHBondContact O-N 2.96Å; V22-T25 VanDerWaalsContact CA-OG1 3.3Å; V22-T25 WeakPolarHBondContact CA-OG1 3.47Å; V22-T25 PolarHBondContact O-N 3.03Å; V22-T25 PolarHBondContact O-OG1 2.69Å; V22-A26 WeakPolarHBondContact O-CB 3.4Å; V22-A26 PolarHBondContact O-N 2.88Å
23K71.7Confident73.2Confident122 Ų122105 Ų10553%0.5354%0.538SS..Hα-helixtrans-64-35.9176.4-120.4162.6-168.61500112.7E19 F20 K27E19-K23 WeakPolarHBondContact O-CB 3.29Å; E19-K23 PolarHBondContact O-N 2.98Å; E19-K23 IonicContact OE1-NZ 2.88Å; E19-K23 PolarHBondContact OE1-NZ 3.3Å; F20-K23 WeakPolarHBondContact O-CB 3.3Å; F20-K23 PolarHBondContact O-N 2.95Å; K23-K27 WeakPolarHBondContact O-CG 3.46Å; K23-K27 PolarHBondContact O-N 2.94Å
24I68.4Low74.7Confident95 Ų95103.2 Ų103.249%0.48753%0.528SS..Hα-helixtrans-71.3-48.6175.6-71.2-178.6000110.6F20 Q21 V22 A26 K27F20-I24 HydrophobicContact CD1-CD1 3.77Å; F20-I24 HydrophobicContact CD1-CG1 4.49Å; F20-I24 HydrophobicContact CE1-CD1 3.27Å; F20-I24 HydrophobicContact CE1-CG1 4.23Å; F20-I24 HydrophobicContact CE2-CD1 4.45Å; F20-I24 HydrophobicContact CZ-CD1 3.66Å; F20-I24 HydrophobicContact CZ-CG1 4.33Å; F20-I24 WeakPolarHBondContact O-CG1 3.37Å; F20-I24 PolarHBondContact O-N 3.43Å; Q21-I24 PolarHBondContact O-N 3.41Å; V22-I24 VanDerWaalsContact C-N 3.32Å; V22-I24 PolarHBondContact O-N 2.96Å; I24-A26 VanDerWaalsContact C-N 3.32Å; I24-A26 PolarHBondContact O-N 3.48Å; I24-K27 PolarHBondContact O-N 3.42Å; I24-K27 VanDerWaalsContact O-N 3.14Å
25T65.3Low76.2Confident104 Ų104102.6 Ų102.664%0.63853%0.525SS*.Hα-helixtrans-65.7-34.3179.840.90000112.3Q21 V22 K27 G28Q21-T25 WeakPolarHBondContact O-CB 3.5Å; Q21-T25 PolarHBondContact O-N 3.01Å; Q21-T25 PolarHBondContact O-OG1 3.14Å; V22-T25 VanDerWaalsContact CA-OG1 3.3Å; V22-T25 WeakPolarHBondContact CA-OG1 3.47Å; V22-T25 PolarHBondContact O-N 3.03Å; V22-T25 PolarHBondContact O-OG1 2.69Å; T25-K27 VanDerWaalsContact C-N 3.26Å; T25-K27 PolarHBondContact O-N 2.95Å; T25-G28 PolarHBondContact O-N 3.23Å
26A69.9Low77.7Confident75 Ų75103.8 Ų103.862%0.6253%0.529SS*.Hα-helixtrans-66.7-22.6174.200000113.8V22 I24 G28V22-A26 WeakPolarHBondContact O-CB 3.4Å; V22-A26 PolarHBondContact O-N 2.88Å; I24-A26 VanDerWaalsContact C-N 3.32Å; I24-A26 PolarHBondContact O-N 3.48Å; A26-G28 PolarHBondContact O-N 3.05Å
27K73.3Confident79Confident128 Ų128100.7 Ų100.756%0.55752%0.524SS*.THydrogen-bonded Turntrans-78.10.1174.3-78.7-175.6175.6-178.70113.9K23 I24 T25 D29 I30 N31K23-K27 WeakPolarHBondContact O-CG 3.46Å; K23-K27 PolarHBondContact O-N 2.94Å; I24-K27 PolarHBondContact O-N 3.42Å; I24-K27 VanDerWaalsContact O-N 3.14Å; T25-K27 VanDerWaalsContact C-N 3.26Å; T25-K27 PolarHBondContact O-N 2.95Å; K27-D29 VanDerWaalsContact C-N 3.25Å; K27-D29 PolarHBondContact O-N 3.33Å; K27-I30 HydrophobicContact CG-CD1 4.33Å; K27-I30 PolarHBondContact O-N 2.9Å; K27-N31 PolarHBondContact O-N 3.38Å; K27-N31 VanDerWaalsContact O-N 3.12Å
28G77.5Confident80.2Confident36 Ų3699.4 Ų99.437%0.37152%0.52SS..Hα-helixtrans-53-39.2178.300000113.8T25 A26 I30 N31 Q32T25-G28 PolarHBondContact O-N 3.23Å; A26-G28 PolarHBondContact O-N 3.05Å; G28-I30 PolarHBondContact O-N 3.36Å; G28-N31 PolarHBondContact O-N 3.17Å; G28-Q32 WeakPolarHBondContact O-CB 3.45Å; G28-Q32 PolarHBondContact O-N 3.12Å
29D80.7Confident81.3Confident82 Ų82103 Ų10344%0.43953%0.527SS..Hα-helixtrans-65.5-37.7177.6-17844.1000112.5K27 Q32 K33K27-D29 VanDerWaalsContact C-N 3.25Å; K27-D29 PolarHBondContact O-N 3.33Å; D29-Q32 PolarHBondContact O-N 3.46Å; D29-K33 WeakPolarHBondContact O-CB 3.34Å; D29-K33 WeakPolarHBondContact O-CG 3.44Å; D29-K33 PolarHBondContact O-N 3.14Å; D29-K33 WeakPolarHBondContact OD1-CE 3.46Å; D29-K33 IonicContact OD1-NZ 3.32Å; D29-K33 WeakPolarHBondContact OD2-CE 3.49Å; D29-K33 IonicContact OD2-NZ 2.69Å; D29-K33 PolarHBondContact OD2-NZ 2.9Å
30I84.6Confident82.6Confident105 Ų105106.3 Ų106.354%0.53854%0.536SS..Hα-helixtrans-67.1-44.9177.2-60.3177.4000110.2K27 G28 Q32 K33 L34K27-I30 HydrophobicContact CG-CD1 4.33Å; K27-I30 PolarHBondContact O-N 2.9Å; G28-I30 PolarHBondContact O-N 3.36Å; I30-Q32 VanDerWaalsContact C-N 3.32Å; I30-Q32 PolarHBondContact O-N 3.07Å; I30-K33 PolarHBondContact O-N 3.24Å; I30-L34 WeakPolarHBondContact O-CB 3.45Å; I30-L34 PolarHBondContact O-N 3.45Å
31N84.1Confident83.8Confident103 Ų103104.1 Ų104.155%0.55153%0.53SS*.Hα-helixtrans-63.2-39.8177-77-23.5000111.7K27 G28 L34 Q35K27-N31 PolarHBondContact O-N 3.38Å; K27-N31 VanDerWaalsContact O-N 3.12Å; G28-N31 PolarHBondContact O-N 3.17Å; N31-L34 PolarHBondContact O-N 2.95Å; N31-Q35 WeakPolarHBondContact O-CB 3.49Å; N31-Q35 PolarHBondContact O-N 3.36Å
32Q88.5Confident85.1Confident107 Ų107103.5 Ų103.550%0.553%0.53SS..Hα-helixtrans-67.5-39.6177.8-161.1178.142.100112.3G28 D29 I30 Q35 K36G28-Q32 WeakPolarHBondContact O-CB 3.45Å; G28-Q32 PolarHBondContact O-N 3.12Å; D29-Q32 PolarHBondContact O-N 3.46Å; I30-Q32 VanDerWaalsContact C-N 3.32Å; I30-Q32 PolarHBondContact O-N 3.07Å; Q32-Q35 PolarHBondContact O-N 3.43Å; Q32-K36 WeakPolarHBondContact O-CG 3.38Å; Q32-K36 PolarHBondContact O-N 2.99Å; Q32-K36 VanDerWaalsContact O-N 3.07Å
33K90.6Very high86.3Confident117 Ų117105.1 Ų105.151%0.50953%0.531SS..Hα-helixtrans-62.6-45172.1-77.4168.5178.2162.60111.6D29 I30 Q35 K36 V37D29-K33 WeakPolarHBondContact O-CB 3.34Å; D29-K33 WeakPolarHBondContact O-CG 3.44Å; D29-K33 PolarHBondContact O-N 3.14Å; D29-K33 WeakPolarHBondContact OD1-CE 3.46Å; D29-K33 IonicContact OD1-NZ 3.32Å; D29-K33 WeakPolarHBondContact OD2-CE 3.49Å; D29-K33 IonicContact OD2-NZ 2.69Å; D29-K33 PolarHBondContact OD2-NZ 2.9Å; I30-K33 PolarHBondContact O-N 3.24Å; K33-Q35 VanDerWaalsContact C-N 3.33Å; K33-Q35 PolarHBondContact O-N 3.46Å; K33-K36 PolarHBondContact O-N 2.9Å; K33-V37 WeakPolarHBondContact O-CG2 3.47Å; K33-V37 PolarHBondContact O-N 3.42Å
34L92.5Very high87.4Confident96 Ų96103.6 Ų103.650%0.50353%0.526SS..Hα-helixtrans-59.8-44.3176.5-177.961.2000111.2I30 N31 K36 V37 I38I30-L34 WeakPolarHBondContact O-CB 3.45Å; I30-L34 PolarHBondContact O-N 3.45Å; N31-L34 PolarHBondContact O-N 2.95Å; L34-K36 VanDerWaalsContact C-N 3.35Å; L34-K36 PolarHBondContact O-N 2.92Å; L34-V37 PolarHBondContact O-N 3.36Å; L34-I38 HydrophobicContact CD1-CD1 4.09Å; L34-I38 HydrophobicContact CD1-CG1 4.35Å; L34-I38 HydrophobicContact CG-CD1 3.87Å; L34-I38 VanDerWaalsContact O-CG1 3.3Å; L34-I38 WeakPolarHBondContact O-CG1 3.38Å; L34-I38 PolarHBondContact O-N 3.38Å
35Q92.9Very high88.6Confident131 Ų131105 Ų10561%0.61253%0.528SS*.Hα-helixtrans-60.4-42.5176.9-170.3178.40.800112.1N31 Q32 K33 I38 Q39N31-Q35 WeakPolarHBondContact O-CB 3.49Å; N31-Q35 PolarHBondContact O-N 3.36Å; Q32-Q35 PolarHBondContact O-N 3.43Å; K33-Q35 VanDerWaalsContact C-N 3.33Å; K33-Q35 PolarHBondContact O-N 3.46Å; Q35-I38 PolarHBondContact O-N 3.36Å; Q35-Q39 WeakPolarHBondContact O-CB 3.3Å; Q35-Q39 PolarHBondContact O-N 3.44Å
36K95.9Very high90Very high135 Ų135105 Ų10559%0.58752%0.524SS*.Hα-helixtrans-63.7-42.9176.1-74.2176.7179.7174.30112.5Q32 K33 L34 Q39 W40Q32-K36 WeakPolarHBondContact O-CG 3.38Å; Q32-K36 PolarHBondContact O-N 2.99Å; Q32-K36 VanDerWaalsContact O-N 3.07Å; K33-K36 PolarHBondContact O-N 2.9Å; L34-K36 VanDerWaalsContact C-N 3.35Å; L34-K36 PolarHBondContact O-N 2.92Å; K36-Q39 PolarHBondContact O-N 3.46Å; K36-W40 WeakPolarHBondContact O-CB 3.4Å; K36-W40 PolarHBondContact O-N 3.27Å
37V95.3Very high91.2Very high78 Ų78104.4 Ų104.447%0.47352%0.515SS..Hα-helixtrans-62.9-46.4177.4171.40000110.5K33 L34 Q39 W40 L41K33-V37 WeakPolarHBondContact O-CG2 3.47Å; K33-V37 PolarHBondContact O-N 3.42Å; L34-V37 PolarHBondContact O-N 3.36Å; V37-Q39 PolarHBondContact O-N 2.97Å; V37-W40 PolarHBondContact O-N 3.47Å; V37-L41 HydrophobicContact CG1-CD1 3.77Å; V37-L41 WeakPolarHBondContact O-CB 3.33Å; V37-L41 PolarHBondContact O-N 2.92Å
38I95.4Very high92.1Very high84 Ų84101.1 Ų101.143%0.43151%0.511SS..Hα-helixtrans-60.2-46.4176.6-69.2168.5000110.6L34 Q35 W40 L41 L42L34-I38 HydrophobicContact CD1-CD1 4.09Å; L34-I38 HydrophobicContact CD1-CG1 4.35Å; L34-I38 HydrophobicContact CG-CD1 3.87Å; L34-I38 VanDerWaalsContact O-CG1 3.3Å; L34-I38 WeakPolarHBondContact O-CG1 3.38Å; L34-I38 PolarHBondContact O-N 3.38Å; Q35-I38 PolarHBondContact O-N 3.36Å; I38-W40 PolarHBondContact O-N 2.89Å; I38-L41 PolarHBondContact O-N 2.9Å; I38-L42 HydrophobicContact CG2-CD1 3.86Å; I38-L42 HydrophobicContact CG2-CG 4.38Å; I38-L42 WeakPolarHBondContact O-CB 3.35Å; I38-L42 WeakPolarHBondContact O-CG 3.32Å; I38-L42 PolarHBondContact O-N 3.48Å
39Q97.6Very high92.9Very high130 Ų130104.7 Ų104.761%0.60752%0.521SS*.Hα-helixtrans-62.5-42.5179.9-174.2166.418.600112.2Q35 K36 V37 L42 Q43Q35-Q39 WeakPolarHBondContact O-CB 3.3Å; Q35-Q39 PolarHBondContact O-N 3.44Å; K36-Q39 PolarHBondContact O-N 3.46Å; V37-Q39 PolarHBondContact O-N 2.97Å; Q39-L42 PolarHBondContact O-N 2.93Å; Q39-Q43 WeakPolarHBondContact O-CB 3.39Å; Q39-Q43 PolarHBondContact O-N 2.89Å
40W97.4Very high93.4Very high166 Ų166106.7 Ų106.763%0.62953%0.528SS*.Hα-helixtrans-63.3-47.4176.8178.668.6000111.9K36 V37 I38 L42 Q43 E44K36-W40 WeakPolarHBondContact O-CB 3.4Å; K36-W40 PolarHBondContact O-N 3.27Å; V37-W40 PolarHBondContact O-N 3.47Å; I38-W40 PolarHBondContact O-N 2.89Å; W40-L42 PolarHBondContact O-N 3.48Å; W40-Q43 PolarHBondContact O-N 3.4Å; W40-E44 WeakPolarHBondContact O-CB 3.43Å; W40-E44 PolarHBondContact O-N 3.38Å
41L96.9Very high93.7Very high80 Ų80104.6 Ų104.642%0.41952%0.522SS..Hα-helixtrans-58.5-44.6175.8-99.4137.6000112.2V37 I38 E44 K45V37-L41 HydrophobicContact CG1-CD1 3.77Å; V37-L41 WeakPolarHBondContact O-CB 3.33Å; V37-L41 PolarHBondContact O-N 2.92Å; I38-L41 PolarHBondContact O-N 2.9Å; L41-E44 PolarHBondContact O-N 3.01Å; L41-K45 WeakPolarHBondContact O-CB 3.23Å; L41-K45 VanDerWaalsContact O-CG 3.28Å; L41-K45 WeakPolarHBondContact O-CG 3.38Å; L41-K45 PolarHBondContact O-N 3.43Å
42L96.6Very high94.2Very high105 Ų105102.5 Ų102.555%0.5552%0.519SS..Hα-helixtrans-63.7-44177.7-73.7172.4000111.6I38 Q39 W40 K45 L46I38-L42 HydrophobicContact CG2-CD1 3.86Å; I38-L42 HydrophobicContact CG2-CG 4.38Å; I38-L42 WeakPolarHBondContact O-CB 3.35Å; I38-L42 WeakPolarHBondContact O-CG 3.32Å; I38-L42 PolarHBondContact O-N 3.48Å; Q39-L42 PolarHBondContact O-N 2.93Å; W40-L42 PolarHBondContact O-N 3.48Å; L42-K45 PolarHBondContact O-N 2.96Å; L42-L46 WeakPolarHBondContact O-CB 3.34Å; L42-L46 WeakPolarHBondContact O-CG 3.47Å; L42-L46 PolarHBondContact O-N 3.25Å
43Q96.7Very high94.4Very high129 Ų129101.7 Ų101.760%0.60352%0.521SS*.Hα-helixtrans-63.7-43.6178.6-173.363.319.600111.7Q39 W40 L46 C47Q39-Q43 WeakPolarHBondContact O-CB 3.39Å; Q39-Q43 PolarHBondContact O-N 2.89Å; W40-Q43 PolarHBondContact O-N 3.4Å; Q43-L46 PolarHBondContact O-N 3.45Å; Q43-C47 VanDerWaalsContact O-CB 3.23Å; Q43-C47 WeakPolarHBondContact O-CB 3.27Å; Q43-C47 PolarHBondContact O-N 2.94Å
44E95.9Very high94.6Very high90 Ų90102.6 Ų102.642%0.42153%0.525SS..Hα-helixtrans-60.1-48.3176.9-170.1-167.4163.800110.9W40 L41 C47 A48W40-E44 WeakPolarHBondContact O-CB 3.43Å; W40-E44 PolarHBondContact O-N 3.38Å; L41-E44 PolarHBondContact O-N 3.01Å; E44-C47 PolarHBondContact O-N 3.25Å; E44-A48 WeakPolarHBondContact O-CB 3.28Å; E44-A48 PolarHBondContact O-N 2.94Å
45K94.3Very high94.8Very high124 Ų124103 Ų10354%0.53953%0.528SS..Hα-helixtrans-66.5-40.7179.9-66.2-60.4176.6-162.90112.7L41 L42 A48 L49L41-K45 WeakPolarHBondContact O-CB 3.23Å; L41-K45 VanDerWaalsContact O-CG 3.28Å; L41-K45 WeakPolarHBondContact O-CG 3.38Å; L41-K45 PolarHBondContact O-N 3.43Å; L42-K45 PolarHBondContact O-N 2.96Å; K45-A48 PolarHBondContact O-N 3.35Å; K45-L49 WeakPolarHBondContact O-CB 3.5Å; K45-L49 WeakPolarHBondContact O-CG 3.44Å; K45-L49 PolarHBondContact O-N 2.96Å
46L94.5Very high95Very high104 Ų104103.3 Ų103.355%0.54553%0.527SS..Hα-helixtrans-64.1-44.5176-79.1168.7000111.7L42 Q43 L49 Q50L42-L46 WeakPolarHBondContact O-CB 3.34Å; L42-L46 WeakPolarHBondContact O-CG 3.47Å; L42-L46 PolarHBondContact O-N 3.25Å; Q43-L46 PolarHBondContact O-N 3.45Å; L46-L49 PolarHBondContact O-N 3.28Å; L46-Q50 WeakPolarHBondContact O-CB 3.4Å; L46-Q50 PolarHBondContact O-N 2.88Å
47C93.4Very high95Very high63 Ų63100.9 Ų100.943%0.42652%0.524SS..Hα-helixtrans-60.6-47.7176.6-171.60000110.9Q43 E44 L49 Q50 C51Q43-C47 VanDerWaalsContact O-CB 3.23Å; Q43-C47 WeakPolarHBondContact O-CB 3.27Å; Q43-C47 PolarHBondContact O-N 2.94Å; E44-C47 PolarHBondContact O-N 3.25Å; C47-L49 PolarHBondContact O-N 3.41Å; C47-Q50 PolarHBondContact O-N 3.42Å; C47-C51 WeakPolarHBondContact O-CB 3.35Å; C47-C51 PolarHBondContact O-N 2.91Å; C47-C51 PolarHBondContact O-SG 2.82Å
48A93.5Very high95.1Very high58 Ų58102.6 Ų102.648%0.47953%0.529SS..Hα-helixtrans-59.9-43.4177.600000112.5E44 K45 A52E44-A48 WeakPolarHBondContact O-CB 3.28Å; E44-A48 PolarHBondContact O-N 2.94Å; K45-A48 PolarHBondContact O-N 3.35Å; A48-A52 VanDerWaalsContact O-CB 3.27Å; A48-A52 WeakPolarHBondContact O-CB 3.42Å; A48-A52 PolarHBondContact O-N 2.93Å
49L93.4Very high95.2Very high112 Ų112101.2 Ų101.259%0.58653%0.53SS*.Hα-helixtrans-62.8-45.6176.2-79.5166.2000111.8K45 L46 C47 A52 V53K45-L49 WeakPolarHBondContact O-CB 3.5Å; K45-L49 WeakPolarHBondContact O-CG 3.44Å; K45-L49 PolarHBondContact O-N 2.96Å; L46-L49 PolarHBondContact O-N 3.28Å; C47-L49 PolarHBondContact O-N 3.41Å; L49-A52 PolarHBondContact O-N 3Å; L49-V53 WeakPolarHBondContact O-CG2 3.31Å; L49-V53 PolarHBondContact O-N 3.17Å
50Q91.1Very high95.2Very high123 Ų12399.9 Ų99.958%0.57552%0.524SS*.Hα-helixtrans-62.9-48.7179.4-170172.67.400110.8L46 C47 A52 V53 F54L46-Q50 WeakPolarHBondContact O-CB 3.4Å; L46-Q50 PolarHBondContact O-N 2.88Å; C47-Q50 PolarHBondContact O-N 3.42Å; Q50-A52 PolarHBondContact O-N 3.46Å; Q50-V53 PolarHBondContact O-N 3.44Å; Q50-F54 HydrophobicContact CG-CD2 3.88Å; Q50-F54 HydrophobicContact CG-CE2 3.89Å; Q50-F54 VanDerWaalsContact O-CD2 3.31Å; Q50-F54 WeakPolarHBondContact O-CD2 3.43Å; Q50-F54 PolarHBondContact O-N 3.36Å
51C91.7Very high95.2Very high62 Ų6296.4 Ų96.442%0.41952%0.517SS..Hα-helixtrans-57.9-47.3175.9-680000111.7C47 V53 F54 D55C47-C51 WeakPolarHBondContact O-CB 3.35Å; C47-C51 PolarHBondContact O-N 2.91Å; C47-C51 PolarHBondContact O-SG 2.82Å; C51-V53 VanDerWaalsContact C-N 3.35Å; C51-V53 PolarHBondContact O-N 3.34Å; C51-F54 PolarHBondContact O-N 3.05Å; C51-D55 WeakPolarHBondContact O-CB 3.42Å; C51-D55 VanDerWaalsContact O-CG 3.29Å; C51-D55 PolarHBondContact O-N 3.34Å
52A94.1Very high95.2Very high58 Ų5899 Ų9948%0.47953%0.525SS..Hα-helixtrans-61.7-39.9-179.400000113.1A48 L49 Q50 K56A48-A52 VanDerWaalsContact O-CB 3.27Å; A48-A52 WeakPolarHBondContact O-CB 3.42Å; A48-A52 PolarHBondContact O-N 2.93Å; L49-A52 PolarHBondContact O-N 3Å; Q50-A52 PolarHBondContact O-N 3.46Å; A52-K56 WeakPolarHBondContact O-CB 3.34Å; A52-K56 PolarHBondContact O-N 2.82Å; A52-K56 VanDerWaalsContact O-N 3.07Å
53V93.4Very high95.3Very high90 Ų9098.2 Ų98.255%0.54553%0.525SS..Hα-helixtrans-67.3-41.6175.9172.60000111.1L49 Q50 C51 T57L49-V53 WeakPolarHBondContact O-CG2 3.31Å; L49-V53 PolarHBondContact O-N 3.17Å; Q50-V53 PolarHBondContact O-N 3.44Å; C51-V53 VanDerWaalsContact C-N 3.35Å; C51-V53 PolarHBondContact O-N 3.34Å; V53-T57 WeakPolarHBondContact O-CB 3.32Å; V53-T57 PolarHBondContact O-N 3.45Å; V53-T57 VanDerWaalsContact O-N 3.08Å; V53-T57 PolarHBondContact O-OG1 3.38Å
54F94.8Very high95.3Very high137 Ų137100 Ų10060%0.60153%0.527SS*.Hα-helixtrans-63.2-50.2175.8-94.1-76.2000111.8Q50 C51 K56 T57 L58Q50-F54 HydrophobicContact CG-CD2 3.88Å; Q50-F54 HydrophobicContact CG-CE2 3.89Å; Q50-F54 VanDerWaalsContact O-CD2 3.31Å; Q50-F54 WeakPolarHBondContact O-CD2 3.43Å; Q50-F54 PolarHBondContact O-N 3.36Å; C51-F54 PolarHBondContact O-N 3.05Å; F54-K56 VanDerWaalsContact C-N 3.33Å; F54-K56 PolarHBondContact O-N 3.4Å; F54-T57 PolarHBondContact O-N 2.89Å; F54-T57 VanDerWaalsContact O-N 3.17Å; F54-L58 WeakPolarHBondContact O-CB 3.21Å; F54-L58 PolarHBondContact O-N 2.77Å
55D95.9Very high95.3Very high104 Ų10499.8 Ų99.856%0.55653%0.531SS*.Hα-helixtrans-60.2-43.5-178.8-72.4-24.7000111.6C51 L58 A59C51-D55 WeakPolarHBondContact O-CB 3.42Å; C51-D55 VanDerWaalsContact O-CG 3.29Å; C51-D55 PolarHBondContact O-N 3.34Å; D55-L58 PolarHBondContact O-N 3.17Å; D55-A59 WeakPolarHBondContact O-CB 3.42Å; D55-A59 PolarHBondContact O-N 2.9Å
56K96.5Very high95.4Very high138 Ų13899.2 Ų99.260%0.653%0.53SS*.Hα-helixtrans-60.3-48.4175.2-178.6178.4176.3-1780111.4A52 F54 L58 A59 E60A52-K56 WeakPolarHBondContact O-CB 3.34Å; A52-K56 PolarHBondContact O-N 2.82Å; A52-K56 VanDerWaalsContact O-N 3.07Å; F54-K56 VanDerWaalsContact C-N 3.33Å; F54-K56 PolarHBondContact O-N 3.4Å; K56-L58 VanDerWaalsContact C-N 3.31Å; K56-L58 PolarHBondContact O-N 3.4Å; K56-A59 PolarHBondContact O-N 2.99Å; K56-E60 WeakPolarHBondContact CE-OE1 3.34Å; K56-E60 WeakPolarHBondContact O-CG 3.39Å; K56-E60 PolarHBondContact O-N 3.43Å
57T96.3Very high95.5Very high84 Ų84101.3 Ų101.352%0.51554%0.535SS..Hα-helixtrans-64.2-38.6-178.9-56.50000111.2V53 F54 L61V53-T57 WeakPolarHBondContact O-CB 3.32Å; V53-T57 PolarHBondContact O-N 3.45Å; V53-T57 VanDerWaalsContact O-N 3.08Å; V53-T57 PolarHBondContact O-OG1 3.38Å; F54-T57 PolarHBondContact O-N 2.89Å; F54-T57 VanDerWaalsContact O-N 3.17Å; T57-L61 WeakPolarHBondContact O-CB 3.37Å; T57-L61 PolarHBondContact O-N 2.97Å
58L97.2Very high95.6Very high113 Ų113103.5 Ų103.559%0.59254%0.541SS*.Hα-helixtrans-66-43.1176.2-176.961.9000111.7F54 D55 K56 L61 K62F54-L58 WeakPolarHBondContact O-CB 3.21Å; F54-L58 PolarHBondContact O-N 2.77Å; D55-L58 PolarHBondContact O-N 3.17Å; K56-L58 VanDerWaalsContact C-N 3.31Å; K56-L58 PolarHBondContact O-N 3.4Å; L58-L61 PolarHBondContact O-N 3.08Å; L58-K62 WeakPolarHBondContact O-CB 3.37Å; L58-K62 PolarHBondContact O-N 3.29Å
59A97.8Very high95.5Very high55 Ų55105.2 Ų105.246%0.45554%0.539SS..Hα-helixtrans-62.9-42.9176.400000112.2D55 K56 K62 T63D55-A59 WeakPolarHBondContact O-CB 3.42Å; D55-A59 PolarHBondContact O-N 2.9Å; K56-A59 PolarHBondContact O-N 2.99Å; A59-K62 PolarHBondContact O-N 3.42Å; A59-T63 PolarHBondContact O-N 3.42Å; A59-T63 PolarHBondContact O-OG1 3.36Å
60E97.5Very high95.5Very high103 Ų103101.6 Ų101.648%0.48152%0.523SS..Hα-helixtrans-63.2-42.8174.9-73.4177.4-169.300111.8K56 T63 R64K56-E60 WeakPolarHBondContact CE-OE1 3.34Å; K56-E60 WeakPolarHBondContact O-CG 3.39Å; K56-E60 PolarHBondContact O-N 3.43Å; E60-T63 PolarHBondContact O-N 3.03Å; E60-R64 WeakPolarHBondContact O-CG 3.46Å; E60-R64 PolarHBondContact O-N 3.07Å
61L97.8Very high95.7Very high92 Ų9299.7 Ų99.748%0.48252%0.517SS..Hα-helixtrans-62.9-46.3176.4-178.461.3000111.6T57 L58 T63 R64 V65T57-L61 WeakPolarHBondContact O-CB 3.37Å; T57-L61 PolarHBondContact O-N 2.97Å; L58-L61 PolarHBondContact O-N 3.08Å; L61-T63 VanDerWaalsContact C-N 3.33Å; L61-T63 PolarHBondContact O-N 3.44Å; L61-R64 WeakPolarHBondContact O-CB 3.5Å; L61-R64 PolarHBondContact O-N 2.91Å; L61-R64 VanDerWaalsContact O-N 3.15Å; L61-V65 HydrophobicContact CD1-CG2 4.36Å; L61-V65 WeakPolarHBondContact O-CG2 3.1Å; L61-V65 PolarHBondContact O-N 3.15Å
62K97.7Very high95.8Very high134 Ų134103.5 Ų103.558%0.58353%0.526SS*.Hα-helixtrans-56.2-48.4176.6-176.3178.8177.4-177.50111.2L58 A59 R64 V65 E66L58-K62 WeakPolarHBondContact O-CB 3.37Å; L58-K62 PolarHBondContact O-N 3.29Å; A59-K62 PolarHBondContact O-N 3.42Å; K62-R64 VanDerWaalsContact C-N 3.31Å; K62-R64 PolarHBondContact O-N 2.97Å; K62-V65 PolarHBondContact O-N 3Å; K62-E66 WeakPolarHBondContact CE-OE1 3.39Å; K62-E66 WeakPolarHBondContact O-CG 3.31Å; K62-E66 PolarHBondContact O-N 3.27Å
63T97.6Very high95.9Very high90 Ų90107.9 Ų107.955%0.55253%0.53SS*.Hα-helixtrans-58.8-42.2177.1-56.50000111.9A59 E60 L61 K67A59-T63 PolarHBondContact O-N 3.42Å; A59-T63 PolarHBondContact O-OG1 3.36Å; E60-T63 PolarHBondContact O-N 3.03Å; L61-T63 VanDerWaalsContact C-N 3.33Å; L61-T63 PolarHBondContact O-N 3.44Å; T63-K67 WeakPolarHBondContact O-CB 3.36Å; T63-K67 PolarHBondContact O-N 3.49Å
64R97.4Very high96Very high167 Ų167109 Ų10963%0.6353%0.53SS*.Hα-helixtrans-65.7-42.2177.3-75171.158.8-173.7-2.6112.4E60 L61 K62 K67 I68E60-R64 WeakPolarHBondContact O-CG 3.46Å; E60-R64 PolarHBondContact O-N 3.07Å; L61-R64 WeakPolarHBondContact O-CB 3.5Å; L61-R64 PolarHBondContact O-N 2.91Å; L61-R64 VanDerWaalsContact O-N 3.15Å; K62-R64 VanDerWaalsContact C-N 3.31Å; K62-R64 PolarHBondContact O-N 2.97Å; R64-K67 PolarHBondContact O-N 2.88Å; R64-I68 VanDerWaalsContact O-CG1 3.31Å; R64-I68 WeakPolarHBondContact O-CG1 3.34Å; R64-I68 PolarHBondContact O-N 3.42Å
65V96.5Very high96.1Very high84 Ų84109.7 Ų109.751%0.50953%0.532SS..Hα-helixtrans-61.9-47.4177.2170.10000110.5L61 K62 K67 I68 E69L61-V65 HydrophobicContact CD1-CG2 4.36Å; L61-V65 WeakPolarHBondContact O-CG2 3.1Å; L61-V65 PolarHBondContact O-N 3.15Å; K62-V65 PolarHBondContact O-N 3Å; V65-K67 VanDerWaalsContact C-N 3.31Å; V65-K67 PolarHBondContact O-N 3.26Å; V65-I68 PolarHBondContact O-N 3.03Å; V65-E69 PolarHBondContact O-N 2.99Å
66E95.4Very high96.2Very high113 Ų113107.7 Ų107.753%0.52853%0.53SS..Hα-helixtrans-58.5-41.8176.5-73.1173.3-171.500112.1K62 E69 C70K62-E66 WeakPolarHBondContact CE-OE1 3.39Å; K62-E66 WeakPolarHBondContact O-CG 3.31Å; K62-E66 PolarHBondContact O-N 3.27Å; E66-E69 PolarHBondContact O-N 3.21Å; E66-C70 WeakPolarHBondContact O-CB 3.46Å; E66-C70 PolarHBondContact O-N 3.4Å
67K96.4Very high96.3Very high148 Ų148104.8 Ų104.864%0.64352%0.524SS*.Hα-helixtrans-64.5-41.1176.5-172.9171.2-176.8174.70112.7T63 R64 V65 N71T63-K67 WeakPolarHBondContact O-CB 3.36Å; T63-K67 PolarHBondContact O-N 3.49Å; R64-K67 PolarHBondContact O-N 2.88Å; V65-K67 VanDerWaalsContact C-N 3.31Å; V65-K67 PolarHBondContact O-N 3.26Å; K67-N71 PolarHBondContact O-N 3.33Å; K67-N71 PolarHBondContact O-ND2 2.95Å
68I95.1Very high96.3Very high109 Ų109105.4 Ų105.456%0.55952%0.523SS*.Hα-helixtrans-65.3-44.7177.1-70.6165.9000110.5R64 V65 C70 N71 K72R64-I68 VanDerWaalsContact O-CG1 3.31Å; R64-I68 WeakPolarHBondContact O-CG1 3.34Å; R64-I68 PolarHBondContact O-N 3.42Å; V65-I68 PolarHBondContact O-N 3.03Å; I68-C70 VanDerWaalsContact C-N 3.32Å; I68-C70 PolarHBondContact O-N 3.36Å; I68-N71 WeakPolarHBondContact O-CB 3.02Å; I68-N71 PolarHBondContact O-N 3.19Å; I68-K72 PolarHBondContact O-N 3.4Å
69E92.5Very high96.4Very high93 Ų93104.1 Ų104.144%0.43552%0.52SS..Hα-helixtrans-63.9-40.4179.2-172.554.6-14300111.3V65 E66 N71 K72 R73V65-E69 PolarHBondContact O-N 2.99Å; E66-E69 PolarHBondContact O-N 3.21Å; E69-N71 PolarHBondContact O-N 3.34Å; E69-K72 PolarHBondContact O-N 2.95Å; E69-R73 PolarHBondContact O-N 3.05Å
70C92.8Very high96.4Very high36 Ų36106.1 Ų106.124%0.24352%0.52CS..Hα-helixtrans-58.3-47.1171.6-169.80000112.1E66 I68 K72 R73 H74E66-C70 WeakPolarHBondContact O-CB 3.46Å; E66-C70 PolarHBondContact O-N 3.4Å; I68-C70 VanDerWaalsContact C-N 3.32Å; I68-C70 PolarHBondContact O-N 3.36Å; C70-K72 VanDerWaalsContact C-N 3.31Å; C70-K72 PolarHBondContact O-N 3.03Å; C70-R73 PolarHBondContact O-N 3.34Å; C70-H74 VanDerWaalsContact O-CG 3.31Å; C70-H74 PolarHBondContact O-N 2.98Å; C70-H74 PolarHBondContact SG-CE1 3.36Å; C70-H74 PolarHBondContact SG-NE2 3.3Å; C70-H74 VanDerWaalsContact SG-NE2 3.45Å
71N94.9Very high96.5Very high84 Ų84105.5 Ų105.545%0.44952%0.52SS..Hα-helixtrans-59.4-39.3176.5-80.1-30.2000112.9K67 I68 E69 H74 K75K67-N71 PolarHBondContact O-N 3.33Å; K67-N71 PolarHBondContact O-ND2 2.95Å; I68-N71 WeakPolarHBondContact O-CB 3.02Å; I68-N71 PolarHBondContact O-N 3.19Å; E69-N71 PolarHBondContact O-N 3.34Å; N71-H74 PolarHBondContact O-N 3.43Å; N71-K75 WeakPolarHBondContact O-CG 3.43Å; N71-K75 PolarHBondContact O-N 3.26Å
72K95.3Very high96.5Very high142 Ų142106.5 Ų106.562%0.61752%0.522SS*.Hα-helixtrans-64-47176.2-172.7-177.4176.3-172.50111.2I68 E69 C70 H74 K75 A76I68-K72 PolarHBondContact O-N 3.4Å; E69-K72 PolarHBondContact O-N 2.95Å; C70-K72 VanDerWaalsContact C-N 3.31Å; C70-K72 PolarHBondContact O-N 3.03Å; K72-H74 PolarHBondContact O-N 3.48Å; K72-K75 PolarHBondContact O-N 3.22Å; K72-A76 PolarHBondContact O-N 3.07Å; K72-A76 VanDerWaalsContact O-N 3.07Å
73R95.1Very high96.6Very high149 Ų149102.1 Ų102.156%0.56251%0.511SS*.Hα-helixtrans-59.2-45.3174.9-70.9-170.3-66.8144-1.8111.9E69 C70 K75 A76 V77E69-R73 PolarHBondContact O-N 3.05Å; C70-R73 PolarHBondContact O-N 3.34Å; R73-K75 PolarHBondContact O-N 3.47Å; R73-A76 PolarHBondContact O-N 3.45Å; R73-V77 WeakPolarHBondContact O-CG2 3.44Å; R73-V77 PolarHBondContact O-N 3.49Å
74H96.8Very high96.6Very high115 Ų115102.7 Ų102.753%0.53251%0.506SS..Hα-helixtrans-62.3-42.2178.1-69.9176.6000112.6C70 N71 K72 A76 V77 L78C70-H74 VanDerWaalsContact O-CG 3.31Å; C70-H74 PolarHBondContact O-N 2.98Å; C70-H74 PolarHBondContact SG-CE1 3.36Å; C70-H74 PolarHBondContact SG-NE2 3.3Å; C70-H74 VanDerWaalsContact SG-NE2 3.45Å; N71-H74 PolarHBondContact O-N 3.43Å; K72-H74 PolarHBondContact O-N 3.48Å; H74-A76 VanDerWaalsContact C-N 3.35Å; H74-A76 PolarHBondContact O-N 2.88Å; H74-V77 PolarHBondContact O-N 3.45Å; H74-L78 WeakPolarHBondContact O-CB 3.42Å; H74-L78 PolarHBondContact O-N 3.39Å
75K96.8Very high96.7Very high151 Ų151100 Ų10066%0.65750%0.503SS*.Hα-helixtrans-60.5-43.4174.4-77.8-176.9177.9-176.60111.8N71 K72 R73 L78 T79N71-K75 WeakPolarHBondContact O-CG 3.43Å; N71-K75 PolarHBondContact O-N 3.26Å; K72-K75 PolarHBondContact O-N 3.22Å; R73-K75 PolarHBondContact O-N 3.47Å; K75-L78 PolarHBondContact O-N 2.98Å; K75-T79 PolarHBondContact O-N 3.35Å; K75-T79 PolarHBondContact O-OG1 3.17Å; K75-T79 VanDerWaalsContact O-OG1 3.13Å
76A97.3Very high96.8Very high61 Ų6198.8 Ų98.850%0.50450%0.502SS..Hα-helixtrans-61.1-46.5177.900000112.1K72 R73 H74 L78 T79 E80K72-A76 PolarHBondContact O-N 3.07Å; K72-A76 VanDerWaalsContact O-N 3.07Å; R73-A76 PolarHBondContact O-N 3.45Å; H74-A76 VanDerWaalsContact C-N 3.35Å; H74-A76 PolarHBondContact O-N 2.88Å; A76-L78 VanDerWaalsContact C-N 3.34Å; A76-L78 PolarHBondContact O-N 3.04Å; A76-T79 PolarHBondContact O-N 3.01Å; A76-E80 PolarHBondContact O-N 3.31Å
77V97.8Very high96.9Very high77 Ų77100.1 Ų100.147%0.46750%0.502SS..Hα-helixtrans-60.8-43.5176.11730000111.1R73 H74 T79 E80 L81R73-V77 WeakPolarHBondContact O-CG2 3.44Å; R73-V77 PolarHBondContact O-N 3.49Å; H74-V77 PolarHBondContact O-N 3.45Å; V77-T79 PolarHBondContact O-N 3.36Å; V77-E80 PolarHBondContact O-N 3.14Å; V77-L81 HydrophobicContact CG1-CD1 3.99Å; V77-L81 HydrophobicContact CG1-CG 4.33Å; V77-L81 WeakPolarHBondContact O-CG 3.48Å; V77-L81 PolarHBondContact O-N 3.29Å
78L98.1Very high97Very high98 Ų9898.2 Ų98.251%0.51350%0.498SS..Hα-helixtrans-59.4-46.7177.9-172.175.9000111.5H74 K75 A76 E80 L81 Q82H74-L78 WeakPolarHBondContact O-CB 3.42Å; H74-L78 PolarHBondContact O-N 3.39Å; K75-L78 PolarHBondContact O-N 2.98Å; A76-L78 VanDerWaalsContact C-N 3.34Å; A76-L78 PolarHBondContact O-N 3.04Å; L78-E80 VanDerWaalsContact C-N 3.34Å; L78-E80 PolarHBondContact O-N 2.77Å; L78-L81 PolarHBondContact O-N 3.48Å; L78-Q82 WeakPolarHBondContact O-CB 3.29Å; L78-Q82 VanDerWaalsContact O-CG 3.32Å; L78-Q82 WeakPolarHBondContact O-CG 3.29Å; L78-Q82 PolarHBondContact O-N 3.25Å
79T98.3Very high97.2Very high86 Ų8697.4 Ų97.453%0.52850%0.499SS..Hα-helixtrans-61.7-41.5177-59.60000111.6K75 A76 V77 Q82 A83K75-T79 PolarHBondContact O-N 3.35Å; K75-T79 PolarHBondContact O-OG1 3.17Å; K75-T79 VanDerWaalsContact O-OG1 3.13Å; A76-T79 PolarHBondContact O-N 3.01Å; V77-T79 PolarHBondContact O-N 3.36Å; T79-Q82 PolarHBondContact O-N 3.45Å; T79-A83 WeakPolarHBondContact O-CB 3.46Å; T79-A83 PolarHBondContact O-N 2.99Å
80E98.4Very high97.4Very high97 Ų97101.2 Ų101.245%0.45351%0.513SS..Hα-helixtrans-63.9-44.1177.2-168.9-171.1157.700111.9A76 V77 L78 A83 K84A76-E80 PolarHBondContact O-N 3.31Å; V77-E80 PolarHBondContact O-N 3.14Å; L78-E80 VanDerWaalsContact C-N 3.34Å; L78-E80 PolarHBondContact O-N 2.77Å; E80-A83 PolarHBondContact O-N 3.46Å; E80-K84 WeakPolarHBondContact O-CG 3.42Å; E80-K84 PolarHBondContact O-N 3.46Å; E80-K84 WeakPolarHBondContact OE1-CE 3.35Å; E80-K84 IonicContact OE1-NZ 3.68Å; E80-K84 PolarHBondContact OE1-NZ 3.24Å
81L98.7Very high97.7Very high90 Ų90107.5 Ų107.547%0.47153%0.532SS..Hα-helixtrans-61.8-45.4176.4-72.1174.9000111.3V77 L78 A83 K84 I85V77-L81 HydrophobicContact CG1-CD1 3.99Å; V77-L81 HydrophobicContact CG1-CG 4.33Å; V77-L81 WeakPolarHBondContact O-CG 3.48Å; V77-L81 PolarHBondContact O-N 3.29Å; L78-L81 PolarHBondContact O-N 3.48Å; L81-A83 VanDerWaalsContact C-N 3.32Å; L81-A83 PolarHBondContact O-N 3.24Å; L81-K84 PolarHBondContact O-N 3.48Å; L81-K84 VanDerWaalsContact O-N 3.15Å; L81-I85 WeakPolarHBondContact O-CG1 3.36Å; L81-I85 PolarHBondContact O-N 3.32Å
82Q98.6Very high97.8Very high112 Ų112110.6 Ų110.652%0.52354%0.542SS..Hα-helixtrans-57.8-44174.3-74.6174.4-18.100111.6L78 T79 K84 I85 A86L78-Q82 WeakPolarHBondContact O-CB 3.29Å; L78-Q82 VanDerWaalsContact O-CG 3.32Å; L78-Q82 WeakPolarHBondContact O-CG 3.29Å; L78-Q82 PolarHBondContact O-N 3.25Å; T79-Q82 PolarHBondContact O-N 3.45Å; Q82-K84 VanDerWaalsContact C-N 3.35Å; Q82-K84 PolarHBondContact O-N 2.96Å; Q82-I85 PolarHBondContact O-N 3.36Å; Q82-A86 WeakPolarHBondContact O-CB 3.3Å; Q82-A86 PolarHBondContact O-N 3.34Å
83A98.6Very high97.9Very high43 Ų43105 Ų10536%0.35552%0.524SS..Hα-helixtrans-66.2-34.3176.700000112.9T79 E80 L81 R87T79-A83 WeakPolarHBondContact O-CB 3.46Å; T79-A83 PolarHBondContact O-N 2.99Å; E80-A83 PolarHBondContact O-N 3.46Å; L81-A83 VanDerWaalsContact C-N 3.32Å; L81-A83 PolarHBondContact O-N 3.24Å; A83-R87 WeakPolarHBondContact O-CB 3.06Å; A83-R87 VanDerWaalsContact O-CG 3.3Å; A83-R87 WeakPolarHBondContact O-CG 3.35Å; A83-R87 PolarHBondContact O-N 3.32Å; A83-R87 VanDerWaalsContact O-N 3.12Å; A83-R87 PolarHBondContact O-NE 2.94Å; A83-R87 VanDerWaalsContact O-NE 3.12Å
84K98.6Very high97.9Very high102 Ų102100.3 Ų100.344%0.44352%0.518SS..Hα-helixtrans-68.4-44.3173.9-76177.9-177.5167.60111.4E80 L81 Q82 R87 L88E80-K84 WeakPolarHBondContact O-CG 3.42Å; E80-K84 PolarHBondContact O-N 3.46Å; E80-K84 WeakPolarHBondContact OE1-CE 3.35Å; E80-K84 IonicContact OE1-NZ 3.68Å; E80-K84 PolarHBondContact OE1-NZ 3.24Å; L81-K84 PolarHBondContact O-N 3.48Å; L81-K84 VanDerWaalsContact O-N 3.15Å; Q82-K84 VanDerWaalsContact C-N 3.35Å; Q82-K84 PolarHBondContact O-N 2.96Å; K84-R87 PolarHBondContact O-N 2.94Å; K84-L88 WeakPolarHBondContact O-CB 3.49Å; K84-L88 PolarHBondContact O-N 3.05Å
85I98.6Very high97.9Very high110 Ų11097.7 Ų97.756%0.56452%0.516SS*.Hα-helixtrans-58.7-51.9175-68.2166000109.8L81 Q82 R87 L88 T89L81-I85 WeakPolarHBondContact O-CG1 3.36Å; L81-I85 PolarHBondContact O-N 3.32Å; Q82-I85 PolarHBondContact O-N 3.36Å; I85-R87 VanDerWaalsContact C-N 3.31Å; I85-R87 PolarHBondContact O-N 2.92Å; I85-L88 CarbonylContact O-C 3.6Å; I85-L88 WeakPolarHBondContact O-CA 3.45Å; I85-L88 WeakPolarHBondContact O-CB 3.45Å; I85-L88 PolarHBondContact O-N 3.12Å; I85-T89 PolarHBondContact O-N 3.13Å; I85-T89 PolarHBondContact O-OG1 2.99Å; I85-T89 VanDerWaalsContact O-OG1 3.06Å
86A98.6Very high97.8Very high59 Ų5995.3 Ų95.349%0.48851%0.505SS..Hα-helixtrans-57.2-42.8179.500000112.7Q82 L88 T89 K90Q82-A86 WeakPolarHBondContact O-CB 3.3Å; Q82-A86 PolarHBondContact O-N 3.34Å; A86-L88 VanDerWaalsContact C-N 3.34Å; A86-L88 PolarHBondContact O-N 3.3Å; A86-T89 PolarHBondContact O-N 3.48Å; A86-K90 WeakPolarHBondContact O-CB 3.43Å; A86-K90 PolarHBondContact O-N 2.66Å
87R98.4Very high97.6Very high140 Ų14096.1 Ų96.153%0.52850%0.501SS..Hα-helixtrans-64.8-36.2175.3-77.6-178-77.1-170.3-2.9112.8A83 K84 I85 R91A83-R87 WeakPolarHBondContact O-CB 3.06Å; A83-R87 VanDerWaalsContact O-CG 3.3Å; A83-R87 WeakPolarHBondContact O-CG 3.35Å; A83-R87 PolarHBondContact O-N 3.32Å; A83-R87 VanDerWaalsContact O-N 3.12Å; A83-R87 PolarHBondContact O-NE 2.94Å; A83-R87 VanDerWaalsContact O-NE 3.12Å; K84-R87 PolarHBondContact O-N 2.94Å; I85-R87 VanDerWaalsContact C-N 3.31Å; I85-R87 PolarHBondContact O-N 2.92Å; R87-R91 WeakPolarHBondContact O-CG 3.35Å; R87-R91 PolarHBondContact O-N 3.39Å; R87-R91 PolarHBondContact O-NE 3.46Å
88L98.4Very high97.4Very high108 Ų10897.1 Ų97.157%0.56550%0.504SS*.Hα-helixtrans-70.4-46.5176.1-170.665.8000110.8K84 I85 A86 K90 R91 F92K84-L88 WeakPolarHBondContact O-CB 3.49Å; K84-L88 PolarHBondContact O-N 3.05Å; I85-L88 CarbonylContact O-C 3.6Å; I85-L88 WeakPolarHBondContact O-CA 3.45Å; I85-L88 WeakPolarHBondContact O-CB 3.45Å; I85-L88 PolarHBondContact O-N 3.12Å; A86-L88 VanDerWaalsContact C-N 3.34Å; A86-L88 PolarHBondContact O-N 3.3Å; L88-K90 VanDerWaalsContact C-N 3.3Å; L88-K90 PolarHBondContact O-N 3.12Å; L88-R91 PolarHBondContact O-N 3.26Å; L88-R91 VanDerWaalsContact O-N 3.17Å; L88-F92 WeakPolarHBondContact O-CB 3.32Å; L88-F92 PolarHBondContact O-N 3.15Å
89T98.3Very high97.1Very high93 Ų9398.2 Ų98.257%0.57151%0.51SS*.Hα-helixtrans-56.4-43.7175.4-570000111.5I85 A86 F92 G93I85-T89 PolarHBondContact O-N 3.13Å; I85-T89 PolarHBondContact O-OG1 2.99Å; I85-T89 VanDerWaalsContact O-OG1 3.06Å; A86-T89 PolarHBondContact O-N 3.48Å; T89-F92 PolarHBondContact O-N 2.89Å; T89-G93 PolarHBondContact O-N 2.92Å
90K98.1Very high96.8Very high172 Ų17299.9 Ų99.975%0.74851%0.509SS*.Hα-helixtrans-61.8-46.7176-174.1176.6-179.1178.40112.2A86 L88 G93 A94A86-K90 WeakPolarHBondContact O-CB 3.43Å; A86-K90 PolarHBondContact O-N 2.66Å; L88-K90 VanDerWaalsContact C-N 3.3Å; L88-K90 PolarHBondContact O-N 3.12Å; K90-G93 PolarHBondContact O-N 2.94Å; K90-A94 PolarHBondContact O-N 3.4Å
91R97.5Very high96.3Very high168 Ų168101.9 Ų101.963%0.63452%0.517SS*.Hα-helixtrans-66.2-38.4178.3-76.3-174.8-73.9165.8-3.3112.3R87 L88 A94 A95R87-R91 WeakPolarHBondContact O-CG 3.35Å; R87-R91 PolarHBondContact O-N 3.39Å; R87-R91 PolarHBondContact O-NE 3.46Å; L88-R91 PolarHBondContact O-N 3.26Å; L88-R91 VanDerWaalsContact O-N 3.17Å; R91-A94 PolarHBondContact O-N 3.41Å; R91-A95 WeakPolarHBondContact O-CB 3.45Å; R91-A95 PolarHBondContact O-N 2.88Å
92F97.8Very high95.5Very high150 Ų150107.4 Ų107.466%0.65853%0.531SS*.Hα-helixtrans-65.7-41.9176.4-172.8-97.3000111.5L88 T89 A95 K96L88-F92 WeakPolarHBondContact O-CB 3.32Å; L88-F92 PolarHBondContact O-N 3.15Å; T89-F92 PolarHBondContact O-N 2.89Å; F92-A95 PolarHBondContact O-N 3.33Å; F92-K96 WeakPolarHBondContact O-CB 3.43Å; F92-K96 PolarHBondContact O-N 3.35Å
93G96.5Very high94.7Very high24 Ų24110.1 Ų110.125%0.24754%0.544CS..Hα-helixtrans-57.4-51.7172.500000112T89 K90 A95 K96 D97T89-G93 PolarHBondContact O-N 2.92Å; K90-G93 PolarHBondContact O-N 2.94Å; G93-A95 PolarHBondContact O-N 3.29Å; G93-K96 WeakPolarHBondContact O-CB 3.46Å; G93-K96 PolarHBondContact O-N 2.94Å; G93-D97 PolarHBondContact O-N 3.49Å
94A95.9Very high93.5Very high51 Ų51116.1 Ų116.142%0.42157%0.565SS.*Hα-helixtrans-59-46.6177.500000112.5K90 R91 K96 D97 D98K90-A94 PolarHBondContact O-N 3.4Å; R91-A94 PolarHBondContact O-N 3.41Å; A94-K96 VanDerWaalsContact C-N 3.29Å; A94-K96 PolarHBondContact O-N 3.44Å; A94-D97 PolarHBondContact O-N 2.91Å; A94-D98 WeakPolarHBondContact O-CB 3.48Å; A94-D98 PolarHBondContact O-N 3.35Å
95A96.1Very high91.8Very high59 Ų59114.2 Ų114.249%0.48856%0.564SS.*Hα-helixtrans-61.7-36.8177.700000112.5R91 F92 G93 L99R91-A95 WeakPolarHBondContact O-CB 3.45Å; R91-A95 PolarHBondContact O-N 2.88Å; F92-A95 PolarHBondContact O-N 3.33Å; G93-A95 PolarHBondContact O-N 3.29Å; A95-L99 WeakPolarHBondContact O-CB 3.45Å; A95-L99 PolarHBondContact O-N 3.01Å
96K95.4Very high90.1Very high102 Ų102113.5 Ų113.544%0.44357%0.567SS.*Hα-helixtrans-67.3-41.2175.7-171.1-167.570.1172.90111.7F92 G93 A94 L99 K100F92-K96 WeakPolarHBondContact O-CB 3.43Å; F92-K96 PolarHBondContact O-N 3.35Å; G93-K96 WeakPolarHBondContact O-CB 3.46Å; G93-K96 PolarHBondContact O-N 2.94Å; A94-K96 VanDerWaalsContact C-N 3.29Å; A94-K96 PolarHBondContact O-N 3.44Å; K96-L99 PolarHBondContact O-N 2.94Å; K96-K100 PolarHBondContact O-N 3.06Å
97D93.8Very high88.4Confident78 Ų78116.8 Ų116.842%0.41758%0.583SS.*Hα-helixtrans-70.7-38178.6-65.9-23.9000111.7G93 A94 L99 K100 K101G93-D97 PolarHBondContact O-N 3.49Å; A94-D97 PolarHBondContact O-N 2.91Å; D97-L99 VanDerWaalsContact C-N 3.34Å; D97-K100 PolarHBondContact O-N 2.82Å; D97-K101 WeakPolarHBondContact O-CG 3.37Å; D97-K101 PolarHBondContact O-N 3.45Å
98D92.6Very high86.7Confident98 Ų98116.8 Ų116.852%0.52459%0.594SS.*Hα-helixtrans-63.1-39.7173-75.9-9.3000111.9A94 K100 K101 R102A94-D98 WeakPolarHBondContact O-CB 3.48Å; A94-D98 PolarHBondContact O-N 3.35Å; D98-K100 VanDerWaalsContact C-N 3.33Å; D98-K100 PolarHBondContact O-N 3.46Å; D98-K101 PolarHBondContact O-N 3.36Å; D98-R102 WeakPolarHBondContact O-CB 3.49Å; D98-R102 PolarHBondContact O-N 3.18Å
99L92.6Very high84.6Confident121 Ų121116.7 Ų116.763%0.63460%0.6SS**Hα-helixtrans-60.5-42.5174.8-179.263.8000111.7A95 K96 D97 R102 Q103A95-L99 WeakPolarHBondContact O-CB 3.45Å; A95-L99 PolarHBondContact O-N 3.01Å; K96-L99 PolarHBondContact O-N 2.94Å; D97-L99 VanDerWaalsContact C-N 3.34Å; L99-R102 PolarHBondContact O-N 2.93Å; L99-Q103 PolarHBondContact O-N 2.81Å; L99-Q103 VanDerWaalsContact O-N 3.12Å
100K91.4Very high82.7Confident120 Ų120118.3 Ų118.352%0.52261%0.611SS.*Hα-helixtrans-63.1-47.9175.8-72.2-178.9175.5-171.20111.8K96 D97 D98 R102 Q103 E104K96-K100 PolarHBondContact O-N 3.06Å; D97-K100 PolarHBondContact O-N 2.82Å; D98-K100 VanDerWaalsContact C-N 3.33Å; D98-K100 PolarHBondContact O-N 3.46Å; K100-R102 VanDerWaalsContact C-N 3.29Å; K100-R102 PolarHBondContact O-N 3.42Å; K100-Q103 PolarHBondContact O-N 3.06Å; K100-Q103 VanDerWaalsContact O-N 3.13Å; K100-E104 WeakPolarHBondContact O-CB 3.34Å; K100-E104 PolarHBondContact O-N 3.41Å
101K88.3Confident80.8Confident139 Ų139118 Ų11860%0.60462%0.616SS**Hα-helixtrans-59-39.6178-71.6175.5-178.1173.70112.4D97 D98 Q103 E104 S105D97-K101 WeakPolarHBondContact O-CG 3.37Å; D97-K101 PolarHBondContact O-N 3.45Å; D98-K101 PolarHBondContact O-N 3.36Å; K101-Q103 VanDerWaalsContact C-N 3.32Å; K101-E104 PolarHBondContact O-N 3.43Å; K101-S105 PolarHBondContact O-N 2.9Å; K101-S105 PolarHBondContact O-OG 3.44Å
102R82.1Confident78.8Confident207 Ų207114.8 Ų114.878%0.78162%0.62SS**Hα-helixtrans-72-25.8179.2-152.3-178.7-165.7-84.91.1113.1D98 L99 K100 S105D98-R102 WeakPolarHBondContact O-CB 3.49Å; D98-R102 PolarHBondContact O-N 3.18Å; L99-R102 PolarHBondContact O-N 2.93Å; K100-R102 VanDerWaalsContact C-N 3.29Å; K100-R102 PolarHBondContact O-N 3.42Å; R102-S105 PolarHBondContact O-OG 3.17Å
103Q81.8Confident77.1Confident169 Ų169114 Ų11479%0.7963%0.63SS**Hα-helixtrans-79-32.1173.5-17117938.800111.9L99 K100 K101L99-Q103 PolarHBondContact O-N 2.81Å; L99-Q103 VanDerWaalsContact O-N 3.12Å; K100-Q103 PolarHBondContact O-N 3.06Å; K100-Q103 VanDerWaalsContact O-N 3.13Å; K101-Q103 VanDerWaalsContact C-N 3.32Å
104E72.1Confident74.6Confident168 Ų168116.1 Ų116.179%0.78565%0.651SS**Hα-helixtrans-86.9-23.3-177.5-158.9169.1-161.300113.1K100 K101K100-E104 WeakPolarHBondContact O-CB 3.34Å; K100-E104 PolarHBondContact O-N 3.41Å; K101-E104 PolarHBondContact O-N 3.43Å
105S63.7Low72.1Confident62 Ų62123.2 Ų123.243%0.43467%0.673SS.*SBendtrans-71.1123.8169.657.70000110.7K101 R102K101-S105 PolarHBondContact O-N 2.9Å; K101-S105 PolarHBondContact O-OG 3.44Å; R102-S105 PolarHBondContact O-OG 3.17Å
106P63.2Low69.8Low96 Ų96126.6 Ų126.662%0.62369%0.69SS**  trans-60.8156.917326.5-32.5000110N108P106-N108 PolarHBondContact O-N 3.36Å
107P61.9Low67.1Low128 Ų128126.7 Ų126.783%0.83171%0.709SS**  trans-61.8101.4175.225.8-31000108.1
108N62.2Low64.7Low140 Ų140129.5 Ų129.575%0.74972%0.724SS**PPolyproline II helixtrans-56.8130.1168-82.4-13.7000107.2P106P106-N108 PolarHBondContact O-N 3.36Å
109P56.3Low62.4Low106 Ų106130.9 Ų130.969%0.68873%0.732SS**PPolyproline II helixtrans-60149.6179.424-31.3000109.8I111P109-I111 PolarHBondContact O-N 2.88Å
110P57.3Low60Low126 Ų126131.9 Ų131.982%0.81874%0.743SS**PPolyproline II helixtrans-57.9127.618022.9-31.2000109.8S112P110-S112 PolarHBondContact O-N 3.11Å; P110-S112 VanDerWaalsContact O-N 3.11Å
111I59.1Low57.9Low166 Ų166133.2 Ų133.285%0.85176%0.756SS**  trans-63.4114.5169.9-65165000106.5P109P109-I111 PolarHBondContact O-N 2.88Å
112S55.3Low55.7Low101 Ų101131.7 Ų131.771%0.70676%0.763SS**  trans-58134.9178.4-164.90000110.5P110 G114P110-S112 PolarHBondContact O-N 3.11Å; P110-S112 VanDerWaalsContact O-N 3.11Å; S112-G114 PolarHBondContact O-N 3.22Å
113P60.4Low54.1Low134 Ų134128 Ų12887%0.8776%0.758SS**  trans-71.188.8177.6-12.327.7000110.5
114G45.6Very low52.7Low68 Ų68127.3 Ų127.370%0.70176%0.76SS**  trans-107.198.8179.600000112.9S112S112-G114 PolarHBondContact O-N 3.22Å
115K43.2Very low52.1Low200 Ų200126.3 Ų126.387%0.8776%0.761SS**  trans79.4130.5162.5-85.8179.3173176.60120.3
116P48.1Very low51.1Low130 Ų130131.2 Ų131.284%0.84478%0.779SS**  trans-81.6128.6156.734.1-26.2000108.8
117A37.6Very low50.6Low103 Ų103132.9 Ų132.985%0.85179%0.787SS**  trans-114.9120.7161.600000107.2
118N43.7Very low49.7Very low137 Ų137137.1 Ų137.173%0.73379%0.788SS**  trans-69154.7-175-13225.5000111.9
119D44.6Very low49.3Very low127 Ų127141.9 Ų141.968%0.67980%0.795SS**  trans63.6104.9149.3-51.8-32.7000119.6
120T42Very low49.2Very low143 Ų143143.3 Ų143.388%0.87780%0.797SS**  -143.4109.3129.2-47.70000109.9S122T120-S122 PolarHBondContact O-N 2.97Å
121N47.5Very low49.2Very low147 Ų147142.4 Ų142.479%0.78680%0.8SS**  trans-51.4116.4165.7177.433.9000110.9
122S41.4Very low49.7Very low107 Ų107135.9 Ų135.975%0.74877%0.774SS**  trans-136.7104.9159.5-167.80000109.1T120 N124T120-S122 PolarHBondContact O-N 2.97Å; S122-N124 PolarHBondContact O-N 3.35Å
123N48.9Very low50.6Low129 Ų129136.1 Ų136.169%0.6977%0.772SS**  trans-79.6105.7-176.9-154.814.6000108.1
124N51.8Low51.2Low155 Ų155135 Ų13583%0.82976%0.762SS**  trans-138.2111.1162.4-92.3-25.2000109S122 M126S122-N124 PolarHBondContact O-N 3.35Å; N124-M126 PolarHBondContact O-N 3.46Å
125N59.5Low52.5Low148 Ų148140.4 Ų140.479%0.79176%0.761SS**  trans-54.6115.8177-69.6-28.2000111.5
126M43.3Very low54Low165 Ų165136.3 Ų136.381%0.81375%0.745SS**  trans-151.6101.2145.5-153.965.9-174.600110N124 Y128N124-M126 PolarHBondContact O-N 3.46Å; M126-Y128 PolarHBondContact O-N 3.02Å
127T52.9Low55.5Low131 Ų131135.8 Ų135.880%0.80474%0.735SS**  trans-6698.5172.3-540000109.5
128Y43.8Very low57.3Low217 Ų217136.5 Ų136.585%0.85172%0.724SS**  trans-128.769.2156.3-113.5-88.6000108.8M126 N130M126-Y128 PolarHBondContact O-N 3.02Å; Y128-N130 PolarHBondContact O-N 3.46Å
129R52.8Low58.7Low239 Ų239133.4 Ų133.490%0.90271%0.705SS**  trans-97.280.1176.2-162.5-174.8-164.2174.45.5109.6
130N54.1Low60Low137 Ų137131.4 Ų131.473%0.73370%0.701SS**  trans-16979.2144.4-145.6-22.5000112Y128Y128-N130 PolarHBondContact O-N 3.46Å
131A58.3Low61.1Low106 Ų106132.6 Ų132.688%0.87669%0.694SS**  trans-102.371.4162.300000108.1
132G67.9Low61.9Low30 Ų30133.8 Ų133.831%0.30969%0.687SS.*  trans-59.1137.3168.700000109.6
133T76Confident62.7Low106 Ų106134.9 Ų134.965%0.6569%0.685SS**  trans-56.4154.1172.335.10000109.8R135 Q136 L137T133-R135 CarbonylContact O-C 3.59Å; T133-R135 PolarHBondContact O-N 3.2Å; T133-Q136 WeakPolarHBondContact O-CA 3.49Å; T133-Q136 WeakPolarHBondContact O-CB 3.4Å; T133-Q136 PolarHBondContact O-N 3.35Å; T133-L137 PolarHBondContact O-N 2.81Å
134V71.5Confident63.2Low110 Ų110135.1 Ų135.167%0.66769%0.69SS**Hα-helixtrans-47.6-35.4-178.5175.90000112.4Q136 L137 L138V134-Q136 PolarHBondContact O-N 3.19Å; V134-L137 PolarHBondContact O-N 3.2Å; V134-L138 HydrophobicContact CG1-CD1 3.92Å; V134-L138 HydrophobicContact CG1-CG 4.38Å; V134-L138 WeakPolarHBondContact O-CG 3.43Å; V134-L138 PolarHBondContact O-N 2.89Å
135R74.4Confident63.1Low181 Ų181132.6 Ų132.668%0.68369%0.685SS**Hα-helixtrans-56.6-46.3173.5-176.8179.3-108.5-100.79.8112.9T133 L137 L138 E139T133-R135 CarbonylContact O-C 3.59Å; T133-R135 PolarHBondContact O-N 3.2Å; R135-L137 VanDerWaalsContact C-N 3.34Å; R135-L137 PolarHBondContact O-N 3.24Å; R135-L138 PolarHBondContact O-N 2.98Å; R135-E139 VanDerWaalsContact CG-OE1 3.29Å; R135-E139 WeakPolarHBondContact CG-OE1 3.48Å; R135-E139 IonicContact NH1-OE1 2.66Å; R135-E139 PolarHBondContact NH1-OE1 3.37Å; R135-E139 WeakPolarHBondContact O-CB 3.46Å; R135-E139 VanDerWaalsContact O-CG 3.29Å; R135-E139 WeakPolarHBondContact O-CG 3.46Å; R135-E139 PolarHBondContact O-N 3.33Å
136Q74.6Confident63Low114 Ų114134.7 Ų134.753%0.53369%0.69SS.*Hα-helixtrans-66.7-34.9-180-162.8171.511.300112.2T133 V134 S140T133-Q136 WeakPolarHBondContact O-CA 3.49Å; T133-Q136 WeakPolarHBondContact O-CB 3.4Å; T133-Q136 PolarHBondContact O-N 3.35Å; V134-Q136 PolarHBondContact O-N 3.19Å; Q136-S140 PolarHBondContact O-N 2.94Å; Q136-S140 VanDerWaalsContact O-N 3.14Å
137L78Confident63.7Low120 Ų120130 Ų13063%0.62868%0.684SS**Hα-helixtrans-69.7-41.2176.1-17266.1000112.1T133 V134 R135 S140 K141T133-L137 PolarHBondContact O-N 2.81Å; V134-L137 PolarHBondContact O-N 3.2Å; R135-L137 VanDerWaalsContact C-N 3.34Å; R135-L137 PolarHBondContact O-N 3.24Å; L137-S140 PolarHBondContact O-N 3.03Å; L137-K141 PolarHBondContact O-N 3.13Å
138L75.4Confident63.8Low118 Ų118129.5 Ų129.562%0.61868%0.683SS**Hα-helixtrans-66.3-39.8176.1-70.3169.6000111.4V134 R135 S140 K141V134-L138 HydrophobicContact CG1-CD1 3.92Å; V134-L138 HydrophobicContact CG1-CG 4.38Å; V134-L138 WeakPolarHBondContact O-CG 3.43Å; V134-L138 PolarHBondContact O-N 2.89Å; R135-L138 PolarHBondContact O-N 2.98Å; L138-S140 VanDerWaalsContact C-N 3.29Å; L138-S140 PolarHBondContact O-N 3Å; L138-K141 PolarHBondContact O-N 3.27Å
139E73.2Confident64.3Low71 Ų71124.9 Ų124.933%0.33268%0.679SS.*Hα-helixtrans-70.2-22.7177.7-70.6-179.3-158.800113.3R135 R142R135-E139 VanDerWaalsContact CG-OE1 3.29Å; R135-E139 WeakPolarHBondContact CG-OE1 3.48Å; R135-E139 IonicContact NH1-OE1 2.66Å; R135-E139 PolarHBondContact NH1-OE1 3.37Å; R135-E139 WeakPolarHBondContact O-CB 3.46Å; R135-E139 VanDerWaalsContact O-CG 3.29Å; R135-E139 WeakPolarHBondContact O-CG 3.46Å; R135-E139 PolarHBondContact O-N 3.33Å; E139-R142 WeakPolarHBondContact O-CG 3.34Å; E139-R142 PolarHBondContact O-NE 3.45Å; E139-R142 IonicContact OE2-NH2 3.25Å; E139-R142 PolarHBondContact OE2-NH2 2.97Å
140S72.8Confident64.2Low85 Ų85119.7 Ų119.759%0.59468%0.677SS**Hα-helixtrans-78.7-24.8174.8-165.60000113.5Q136 L137 L138Q136-S140 PolarHBondContact O-N 2.94Å; Q136-S140 VanDerWaalsContact O-N 3.14Å; L137-S140 PolarHBondContact O-N 3.03Å; L138-S140 VanDerWaalsContact C-N 3.29Å; L138-S140 PolarHBondContact O-N 3Å
141K64.9Low63.9Low169 Ų169118.4 Ų118.474%0.73568%0.679SS**Hα-helixtrans-78.6-20.7-179.5-77.3-78.8-175.6179.60113.8L137 L138L137-K141 PolarHBondContact O-N 3.13Å; L138-K141 PolarHBondContact O-N 3.27Å
142R65.5Low63.4Low171 Ų171122.6 Ų122.665%0.64568%0.677SS**THydrogen-bonded Turntrans-81.3-8.3179.155.7168.8179.4159.3-4.1114.7E139E139-R142 WeakPolarHBondContact O-CG 3.34Å; E139-R142 PolarHBondContact O-NE 3.45Å; E139-R142 IonicContact OE2-NH2 3.25Å; E139-R142 PolarHBondContact OE2-NH2 2.97Å
143N57.7Low62.5Low131 Ų131130.6 Ų130.670%0.70171%0.707SS**THydrogen-bonded Turntrans-96.511.3-177.4-78.9-19.5000114.6S145N143-S145 PolarHBondContact O-N 3.19Å
144V58.6Low61.1Low133 Ų133131.5 Ų131.581%0.80671%0.712SS**  trans-90.682.4168.5-177.70000108
145S50.4Low60.4Low102 Ų102132.4 Ų132.471%0.71372%0.72SS**  trans-78.1134.2168.9174.80000109.7N143N143-S145 PolarHBondContact O-N 3.19Å
146E56.1Low59Low193 Ų193130.4 Ų130.490%0.90273%0.728SS**  trans9.5114.7159.1-87.5169.1130.500118.8
147G59.7Low57.8Low66 Ų66135.7 Ų135.768%0.6876%0.76SS**  trans-149.1140.7156.600000109.6
148P55.1Low56.8Low120 Ų120136.5 Ų136.578%0.77977%0.767SS**PPolyproline II helixtrans-70.6154.5-171.929.4-33000111.9
149P53Low55.8Low120 Ų120137.5 Ų137.578%0.77977%0.774SS**PPolyproline II helixtrans-68.6137.6-17427.7-33.5000111.5S151P149-S151 PolarHBondContact O-N 3.12Å
150P50.9Low54.8Low130 Ų130141.2 Ų141.284%0.84480%0.799SS**PPolyproline II helixtrans-73.2127173.828.2-30.8000110.6
151S48.7Very low53.8Low111 Ų111144.5 Ų144.578%0.77681%0.811SS**PPolyproline II helixtrans-70.9147.4175.452.90000113.1P149P149-S151 PolarHBondContact O-N 3.12Å
152F47.2Very low53.1Low194 Ų194142.9 Ų142.985%0.85182%0.816SS**  trans-29146.9172.1-64.8-92.9000118.1
153Q48.3Very low52.3Low198 Ų198141.1 Ų141.193%0.92583%0.827SS**  trans-155.4122.7139.3-106.2169.451.400111.2
154T47.4Very low51.9Low125 Ų125141.8 Ų141.877%0.76784%0.836SS**PPolyproline II helixtrans-90131.6166.337.60000109.4
155P55.6Low51.4Low129 Ų129142.5 Ų142.584%0.83884%0.838SS**PPolyproline II helixtrans-86.2128.5169.211.75.2000110.3
156V46.2Very low51.4Low138 Ų138145.8 Ų145.884%0.83685%0.849SS**PPolyproline II helixtrans-94.2120164.5-179.90000107
157N49.1Very low51Low226 Ų226141.5 Ų141.5100%1.20984%0.844SS**  164.30127.7-154.4-10.1000108.5

Retrieved 157 of 157 residues in 608.8 ms (Link to these results)