A0A5K4F2S6_SCHMA Loading...

J domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F2S6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 292 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
1M34.5Very low40.3Very low222 Ų222144.1 Ų144.1100%1.09479%0.789SS**  089.80-176.6178179.800108.7L3M1-L3 HydrophobicContact CE-CD1 4.48Å
2L36.8Very low41.1Very low160 Ų160144.2 Ų144.284%0.83878%0.78SS**  trans-137.496.3160.7-87.1172.4000106.2F4L2-F4 PolarHBondContact O-N 3.28Å
3L36.2Very low42Very low153 Ų153138.2 Ų138.280%0.80176%0.755SS**  trans-72.7101.5177.7-75.9156.7000108.4M1 R5M1-L3 HydrophobicContact CE-CD1 4.48Å; L3-R5 PolarHBondContact O-N 3.12Å; L3-R5 VanDerWaalsContact O-N 3.12Å
4F40.4Very low42.8Very low182 Ų182133.1 Ų133.180%0.79873%0.731SS**  trans-7993164-81.2-78000109L2 T6L2-F4 PolarHBondContact O-N 3.28Å; F4-T6 PolarHBondContact O-N 3.43Å
5R28.4Very low43.5Very low225 Ų225127.9 Ų127.985%0.84971%0.708SS**  trans-82.195.7165.2-173-179.2179.1-173.70.6107.6L3L3-R5 PolarHBondContact O-N 3.12Å; L3-R5 VanDerWaalsContact O-N 3.12Å
6T41.6Very low44.6Very low128 Ų128126.6 Ų126.679%0.78570%0.698SS**  trans-117.677.2166.6580000109.3F4F4-T6 PolarHBondContact O-N 3.43Å
7S37.7Very low45.3Very low101 Ų101125 Ų12571%0.70669%0.687SS**  trans-89.3110.8162.750.90000107.9
8G40.5Very low45.4Very low72 Ų72123.4 Ų123.474%0.74268%0.678SS**SBendtrans15026.1162.500000120.8
9T45.5Very low46Very low120 Ų120123.1 Ų123.174%0.73667%0.674SS**  trans-144.631.3168.656.80000114
10S49.7Very low46.1Very low86 Ų86126.2 Ų126.260%0.60168%0.675SS**Hα-helixtrans-74.1-31.7-180-173.70000113.8T14S10-T14 PolarHBondContact O-N 3.44Å; S10-T14 PolarHBondContact O-OG1 3.49Å
11N51.6Low46.1Very low136 Ų136128.3 Ų128.373%0.72767%0.674SS**Hα-helixtrans-83.6-22.4-169.1-68.7-9.4000114.5T14N11-T14 PolarHBondContact O-OG1 3.11Å
12Q50.4Low46.4Very low145 Ų145123.5 Ų123.568%0.67865%0.648SS**Hα-helixtrans-83.4-30.8173.4-70.9-166.2-5.100112.2T14 S15 I16Q12-T14 VanDerWaalsContact C-N 3.34Å; Q12-T14 PolarHBondContact O-N 2.95Å; Q12-S15 PolarHBondContact O-N 3.13Å; Q12-S15 PolarHBondContact O-OG 3.43Å; Q12-I16 WeakPolarHBondContact O-CD1 3.45Å; Q12-I16 VanDerWaalsContact O-CG1 3.3Å; Q12-I16 WeakPolarHBondContact O-CG1 3.3Å; Q12-I16 PolarHBondContact O-N 3.44Å; Q12-I16 VanDerWaalsContact O-N 3.13Å
13S52.3Low46.9Very low66 Ų66122.5 Ų122.546%0.46264%0.637SS.*Hα-helixtrans-66.9-36.9176.4-169.40000111.8L17S13-L17 WeakPolarHBondContact O-CB 3.43Å; S13-L17 WeakPolarHBondContact O-CD1 3.42Å; S13-L17 VanDerWaalsContact O-CG 3.23Å; S13-L17 WeakPolarHBondContact O-CG 3.36Å; S13-L17 PolarHBondContact O-N 3.49Å; S13-L17 VanDerWaalsContact O-N 3.11Å
14T53.7Low47.6Very low68 Ų68117.1 Ų117.142%0.41761%0.613SS.*Hα-helixtrans-71.3-35.8177.652.90000112.3S10 N11 Q12 N18S10-T14 PolarHBondContact O-N 3.44Å; S10-T14 PolarHBondContact O-OG1 3.49Å; N11-T14 PolarHBondContact O-OG1 3.11Å; Q12-T14 VanDerWaalsContact C-N 3.34Å; Q12-T14 PolarHBondContact O-N 2.95Å; T14-N18 WeakPolarHBondContact O-CB 3.42Å; T14-N18 VanDerWaalsContact O-CG 3.24Å; T14-N18 PolarHBondContact O-N 3.16Å; T14-N18 PolarHBondContact O-ND2 2.82Å
15S53.9Low48.4Very low55 Ų55113.3 Ų113.339%0.38560%0.6SS.*Hα-helixtrans-68.2-42.6176.666.10000112.1Q12 N18 I19Q12-S15 PolarHBondContact O-N 3.13Å; Q12-S15 PolarHBondContact O-OG 3.43Å; S15-N18 PolarHBondContact O-N 2.92Å; S15-I19 WeakPolarHBondContact O-CD1 3.42Å; S15-I19 VanDerWaalsContact O-CG1 3.23Å; S15-I19 WeakPolarHBondContact O-CG1 3.23Å; S15-I19 PolarHBondContact O-N 3.32Å
16I61Low49.8Very low107 Ų107109.5 Ų109.555%0.54959%0.589SS.*Hα-helixtrans-62.4-45.8175.7-65.3165000110.7Q12 N18 I19 W20Q12-I16 WeakPolarHBondContact O-CD1 3.45Å; Q12-I16 VanDerWaalsContact O-CG1 3.3Å; Q12-I16 WeakPolarHBondContact O-CG1 3.3Å; Q12-I16 PolarHBondContact O-N 3.44Å; Q12-I16 VanDerWaalsContact O-N 3.13Å; I16-N18 VanDerWaalsContact C-N 3.33Å; I16-N18 PolarHBondContact O-N 2.94Å; I16-I19 PolarHBondContact O-N 3.32Å; I16-W20 WeakPolarHBondContact O-CB 3.48Å; I16-W20 PolarHBondContact O-N 3.29Å
17L55.6Low51Low99 Ų99107.4 Ų107.452%0.51857%0.573SS.*Hα-helixtrans-62.9-38.3177.6-74.2168.2000112.3S13 W20 R21S13-L17 WeakPolarHBondContact O-CB 3.43Å; S13-L17 WeakPolarHBondContact O-CD1 3.42Å; S13-L17 VanDerWaalsContact O-CG 3.23Å; S13-L17 WeakPolarHBondContact O-CG 3.36Å; S13-L17 PolarHBondContact O-N 3.49Å; S13-L17 VanDerWaalsContact O-N 3.11Å; L17-W20 PolarHBondContact O-N 3.47Å; L17-R21 WeakPolarHBondContact O-CB 3.23Å; L17-R21 WeakPolarHBondContact O-CG 3.41Å; L17-R21 PolarHBondContact O-N 3.36Å
18N48.3Very low52.7Low96 Ų96106.2 Ų106.251%0.51356%0.561SS.*Hα-helixtrans-69.9-39.1176.8-76-22.3000112.3T14 S15 I16 W20 R21 H22T14-N18 WeakPolarHBondContact O-CB 3.42Å; T14-N18 VanDerWaalsContact O-CG 3.24Å; T14-N18 PolarHBondContact O-N 3.16Å; T14-N18 PolarHBondContact O-ND2 2.82Å; S15-N18 PolarHBondContact O-N 2.92Å; I16-N18 VanDerWaalsContact C-N 3.33Å; I16-N18 PolarHBondContact O-N 2.94Å; N18-W20 VanDerWaalsContact C-N 3.34Å; N18-R21 PolarHBondContact O-N 2.85Å; N18-H22 WeakPolarHBondContact O-CB 3.34Å; N18-H22 PolarHBondContact O-N 2.97Å
19I56.3Low54.6Low118 Ų118107.6 Ų107.661%0.60555%0.548SS*.Hα-helixtrans-62.5-44.7173.6-67.5161.1000109.8S15 I16 H22 F23S15-I19 WeakPolarHBondContact O-CD1 3.42Å; S15-I19 VanDerWaalsContact O-CG1 3.23Å; S15-I19 WeakPolarHBondContact O-CG1 3.23Å; S15-I19 PolarHBondContact O-N 3.32Å; I16-I19 PolarHBondContact O-N 3.32Å; I19-H22 PolarHBondContact O-N 2.98Å; I19-F23 VanDerWaalsContact O-CB 3.29Å; I19-F23 WeakPolarHBondContact O-CB 3.4Å; I19-F23 PolarHBondContact O-N 3.25Å
20W47.5Very low56.4Low184 Ų184103.9 Ų103.970%0.69753%0.53SS*.Hα-helixtrans-64.4-45.2178.3-145.376.3000111.3I16 L17 N18 H22 F23 S24I16-W20 WeakPolarHBondContact O-CB 3.48Å; I16-W20 PolarHBondContact O-N 3.29Å; L17-W20 PolarHBondContact O-N 3.47Å; N18-W20 VanDerWaalsContact C-N 3.34Å; W20-H22 PolarHBondContact O-N 3.46Å; W20-F23 PolarHBondContact O-N 2.86Å; W20-S24 WeakPolarHBondContact O-CB 3.38Å; W20-S24 PolarHBondContact O-N 3.47Å; W20-S24 PolarHBondContact O-OG 2.85Å
21R46.9Very low58Low172 Ų172100.4 Ų100.465%0.64951%0.506SS*.Hα-helixtrans-59.8-45173.2-78.2-176.5174-155.9-1.6112.4L17 N18 F23 S24 I25L17-R21 WeakPolarHBondContact O-CB 3.23Å; L17-R21 WeakPolarHBondContact O-CG 3.41Å; L17-R21 PolarHBondContact O-N 3.36Å; N18-R21 PolarHBondContact O-N 2.85Å; R21-F23 VanDerWaalsContact C-N 3.33Å; R21-F23 PolarHBondContact O-N 3.5Å; R21-S24 PolarHBondContact O-N 3.48Å; R21-I25 WeakPolarHBondContact O-CB 3.38Å; R21-I25 WeakPolarHBondContact O-CD1 3.23Å; R21-I25 WeakPolarHBondContact O-CG1 3.35Å; R21-I25 PolarHBondContact O-N 3.25Å
22H39.7Very low59.6Low121 Ų12198.1 Ų98.156%0.5649%0.493SS*.Hα-helixtrans-65.2-37.4177.6-115.3-69.4000112.1N18 I19 W20 K26N18-H22 WeakPolarHBondContact O-CB 3.34Å; N18-H22 PolarHBondContact O-N 2.97Å; I19-H22 PolarHBondContact O-N 2.98Å; W20-H22 PolarHBondContact O-N 3.46Å; H22-K26 WeakPolarHBondContact O-CB 3.38Å; H22-K26 VanDerWaalsContact O-CG 3.24Å; H22-K26 WeakPolarHBondContact O-CG 3.17Å; H22-K26 PolarHBondContact O-N 3.41Å
23F48.6Very low61.4Low138 Ų13896.4 Ų96.461%0.60548%0.483SS*.Hα-helixtrans-67.2-46176-170.9-99.4000111I19 W20 R21 I25 K26 L27I19-F23 VanDerWaalsContact O-CB 3.29Å; I19-F23 WeakPolarHBondContact O-CB 3.4Å; I19-F23 PolarHBondContact O-N 3.25Å; W20-F23 PolarHBondContact O-N 2.86Å; R21-F23 VanDerWaalsContact C-N 3.33Å; R21-F23 PolarHBondContact O-N 3.5Å; F23-I25 PolarHBondContact O-N 3.09Å; F23-K26 PolarHBondContact O-N 2.99Å; F23-L27 WeakPolarHBondContact O-CB 3.28Å; F23-L27 PolarHBondContact O-N 2.98Å
24S50.7Low63Low40 Ų4093.4 Ų93.428%0.2846%0.463SS..Hα-helixtrans-61.5-43174.7-58.80000112.2W20 R21 L27 T28W20-S24 WeakPolarHBondContact O-CB 3.38Å; W20-S24 PolarHBondContact O-N 3.47Å; W20-S24 PolarHBondContact O-OG 2.85Å; R21-S24 PolarHBondContact O-N 3.48Å; S24-L27 PolarHBondContact O-N 3.27Å; S24-T28 VanDerWaalsContact O-CG2 3.23Å; S24-T28 WeakPolarHBondContact O-CG2 3.36Å; S24-T28 PolarHBondContact O-N 2.94Å; S24-T28 PolarHBondContact O-OG1 3.37Å
25I56.9Low64.6Low103 Ų10390.5 Ų90.553%0.52844%0.444SS..Hα-helixtrans-68.7-39.2178.1-66.5162.7000111.6R21 F23 L27 T28 H29R21-I25 WeakPolarHBondContact O-CB 3.38Å; R21-I25 WeakPolarHBondContact O-CD1 3.23Å; R21-I25 WeakPolarHBondContact O-CG1 3.35Å; R21-I25 PolarHBondContact O-N 3.25Å; F23-I25 PolarHBondContact O-N 3.09Å; I25-L27 VanDerWaalsContact C-N 3.31Å; I25-T28 WeakPolarHBondContact CA-OG1 3.29Å; I25-T28 PolarHBondContact O-N 2.89Å; I25-T28 PolarHBondContact O-OG1 2.73Å; I25-H29 WeakPolarHBondContact O-CB 3.49Å; I25-H29 PolarHBondContact O-N 3.37Å
26K57.9Low66.3Low144 Ų14494.5 Ų94.563%0.62646%0.457SS*.Hα-helixtrans-63.6-41.8174.8-78.5179.4179.6-173.90110.8H22 F23 H29 A30H22-K26 WeakPolarHBondContact O-CB 3.38Å; H22-K26 VanDerWaalsContact O-CG 3.24Å; H22-K26 WeakPolarHBondContact O-CG 3.17Å; H22-K26 PolarHBondContact O-N 3.41Å; F23-K26 PolarHBondContact O-N 2.99Å; K26-H29 PolarHBondContact O-N 3.36Å; K26-A30 VanDerWaalsContact O-CB 3.32Å; K26-A30 WeakPolarHBondContact O-CB 3.49Å; K26-A30 PolarHBondContact O-N 3.43Å
27L66Low67.5Low84 Ų8494.4 Ų94.444%0.4446%0.457SS..Hα-helixtrans-63.3-41.3175.8-170.866000111.1F23 S24 I25 A31F23-L27 WeakPolarHBondContact O-CB 3.28Å; F23-L27 PolarHBondContact O-N 2.98Å; S24-L27 PolarHBondContact O-N 3.27Å; I25-L27 VanDerWaalsContact C-N 3.31Å; L27-A31 WeakPolarHBondContact O-CB 3.25Å; L27-A31 PolarHBondContact O-N 2.87Å
28T73.9Confident68.9Low76 Ų7689.9 Ų89.947%0.46643%0.433SS..Hα-helixtrans-69-38.6177.260.90000112.4S24 I25 A31 I32S24-T28 VanDerWaalsContact O-CG2 3.23Å; S24-T28 WeakPolarHBondContact O-CG2 3.36Å; S24-T28 PolarHBondContact O-N 2.94Å; S24-T28 PolarHBondContact O-OG1 3.37Å; I25-T28 WeakPolarHBondContact CA-OG1 3.29Å; I25-T28 PolarHBondContact O-N 2.89Å; I25-T28 PolarHBondContact O-OG1 2.73Å; T28-A31 WeakPolarHBondContact O-CB 3.34Å; T28-A31 PolarHBondContact O-N 3.1Å; T28-I32 WeakPolarHBondContact O-CB 3.5Å; T28-I32 WeakPolarHBondContact O-CD1 3.43Å; T28-I32 WeakPolarHBondContact O-CG1 3.32Å; T28-I32 PolarHBondContact O-N 3.34Å
29H81.2Confident70.7Confident101 Ų10191.5 Ų91.547%0.46844%0.442SS..Hα-helixtrans-72.4-40.4179-176.8-104.9000112.5I25 K26 A31 I32 K33I25-H29 WeakPolarHBondContact O-CB 3.49Å; I25-H29 PolarHBondContact O-N 3.37Å; K26-H29 PolarHBondContact O-N 3.36Å; H29-A31 VanDerWaalsContact C-N 3.3Å; H29-I32 PolarHBondContact O-N 3.29Å; H29-K33 WeakPolarHBondContact CE1-CE 3.38Å; H29-K33 PolarHBondContact CE1-NZ 3.37Å; H29-K33 WeakPolarHBondContact O-CG 3.34Å; H29-K33 PolarHBondContact O-N 3.33Å
30A83.2Confident71.9Confident42 Ų4287.1 Ų87.135%0.34742%0.419SS..Hα-helixtrans-63.2-39.8172.200000111.1K26 K33 A34K26-A30 VanDerWaalsContact O-CB 3.32Å; K26-A30 WeakPolarHBondContact O-CB 3.49Å; K26-A30 PolarHBondContact O-N 3.43Å; A30-K33 PolarHBondContact O-N 3.12Å; A30-A34 WeakPolarHBondContact O-CB 3.27Å; A30-A34 PolarHBondContact O-N 3.14Å
31A82.5Confident73.5Confident13 Ų1381.9 Ų81.911%0.10741%0.411CS..Hα-helixtrans-59.4-51.4172.800000112.3L27 T28 H29 K33 A34 F35 I106L27-A31 WeakPolarHBondContact O-CB 3.25Å; L27-A31 PolarHBondContact O-N 2.87Å; T28-A31 WeakPolarHBondContact O-CB 3.34Å; T28-A31 PolarHBondContact O-N 3.1Å; H29-A31 VanDerWaalsContact C-N 3.3Å; A31-K33 VanDerWaalsContact C-N 3.29Å; A31-K33 PolarHBondContact O-N 3.38Å; A31-A34 WeakPolarHBondContact O-CB 3.24Å; A31-A34 PolarHBondContact O-N 2.6Å; A31-F35 HydrophobicContact CB-CE2 4.45Å; A31-F35 WeakPolarHBondContact O-CD2 3.47Å; A31-F35 PolarHBondContact O-N 2.85Å; A31-I106 HydrophobicContact CB-CD1 3.23Å
32I85.7Confident74.9Confident89 Ų8977.6 Ų77.646%0.45640%0.404SS..Hα-helixtrans-57.9-45179.7-70.7161.4000110.2T28 H29 A34 F35 E36T28-I32 WeakPolarHBondContact O-CB 3.5Å; T28-I32 WeakPolarHBondContact O-CD1 3.43Å; T28-I32 WeakPolarHBondContact O-CG1 3.32Å; T28-I32 PolarHBondContact O-N 3.34Å; H29-I32 PolarHBondContact O-N 3.29Å; I32-A34 VanDerWaalsContact C-N 3.32Å; I32-A34 PolarHBondContact O-N 2.92Å; I32-F35 PolarHBondContact O-N 3.42Å; I32-E36 WeakPolarHBondContact O-CB 3.11Å; I32-E36 PolarHBondContact O-N 2.91Å
33K87.6Confident76.4Confident108 Ų10876.6 Ų76.647%0.4741%0.411SS..Hα-helixtrans-60.6-39.4175-76.8-179.9164.9-175.50113H29 A30 A31 E36 L37H29-K33 WeakPolarHBondContact CE1-CE 3.38Å; H29-K33 PolarHBondContact CE1-NZ 3.37Å; H29-K33 WeakPolarHBondContact O-CG 3.34Å; H29-K33 PolarHBondContact O-N 3.33Å; A30-K33 PolarHBondContact O-N 3.12Å; A31-K33 VanDerWaalsContact C-N 3.29Å; A31-K33 PolarHBondContact O-N 3.38Å; K33-E36 PolarHBondContact O-N 2.93Å; K33-L37 WeakPolarHBondContact O-CB 3.4Å; K33-L37 VanDerWaalsContact O-CG 3.3Å; K33-L37 WeakPolarHBondContact O-CG 3.4Å; K33-L37 PolarHBondContact O-N 2.93Å
34A86.5Confident77.8Confident4 Ų470.4 Ų70.43%0.03338%0.384CS..Hα-helixtrans-65.4-42.5177.800000112A30 A31 I32 L37 L38 A99 L102A30-A34 WeakPolarHBondContact O-CB 3.27Å; A30-A34 PolarHBondContact O-N 3.14Å; A31-A34 WeakPolarHBondContact O-CB 3.24Å; A31-A34 PolarHBondContact O-N 2.6Å; I32-A34 VanDerWaalsContact C-N 3.32Å; I32-A34 PolarHBondContact O-N 2.92Å; A34-L37 PolarHBondContact O-N 2.94Å; A34-L38 WeakPolarHBondContact O-CG 3.47Å; A34-L38 PolarHBondContact O-N 3.48Å; A34-A99 HydrophobicContact CB-CB 4.07Å; A34-L102 HydrophobicContact CB-CB 4.2Å
35F86.7Confident79.4Confident6 Ų672.1 Ų72.13%0.02639%0.393CS..Hα-helixtrans-67.3-37.8175.1-72-67.9000112.3A31 I32 L38 D39 I40 T42 A103 I106A31-F35 HydrophobicContact CB-CE2 4.45Å; A31-F35 WeakPolarHBondContact O-CD2 3.47Å; A31-F35 PolarHBondContact O-N 2.85Å; I32-F35 PolarHBondContact O-N 3.42Å; F35-L38 PolarHBondContact O-N 2.9Å; F35-D39 PolarHBondContact O-N 3.33Å; F35-I40 HydrophobicContact CD1-CD1 3.66Å; F35-I40 HydrophobicContact CD1-CG1 3.89Å; F35-I40 HydrophobicContact CE1-CD1 4.1Å; F35-I40 PolarHBondContact O-N 2.96Å; F35-I40 VanDerWaalsContact O-N 3.14Å; F35-T42 HydrophobicContact CB-CG2 4.38Å; F35-T42 HydrophobicContact CD2-CG2 4.13Å; F35-T42 HydrophobicContact CG-CG2 4.37Å; F35-A103 HydrophobicContact CD1-CB 4.19Å; F35-A103 HydrophobicContact CE1-CB 3.84Å; F35-A103 HydrophobicContact CZ-CB 4.16Å; F35-I106 HydrophobicContact CE2-CB 4.47Å; F35-I106 HydrophobicContact CE2-CD1 4.1Å; F35-I106 HydrophobicContact CE2-CG2 4.17Å; F35-I106 HydrophobicContact CZ-CB 4.27Å; F35-I106 HydrophobicContact CZ-CG2 4.12Å
36E89.6Confident80.8Confident139 Ų13968.5 Ų68.565%0.6538%0.376SS*.Hα-helixtrans-63.1-44.9174.2-173.4178.9-172.900111.8I32 K33 L38 D39I32-E36 WeakPolarHBondContact O-CB 3.11Å; I32-E36 PolarHBondContact O-N 2.91Å; K33-E36 PolarHBondContact O-N 2.93Å; E36-L38 PolarHBondContact O-N 3.37Å; E36-D39 PolarHBondContact O-N 3.38Å; E36-D39 VanDerWaalsContact O-N 3.12Å
37L86.2Confident82.1Confident106 Ų10668.7 Ų68.756%0.55538%0.38SS*.Hα-helixtrans-64-25.7177.6-76.3171.8000113.8K33 A34 L56 A99K33-L37 WeakPolarHBondContact O-CB 3.4Å; K33-L37 VanDerWaalsContact O-CG 3.3Å; K33-L37 WeakPolarHBondContact O-CG 3.4Å; K33-L37 PolarHBondContact O-N 2.93Å; A34-L37 PolarHBondContact O-N 2.94Å; L37-L56 WeakPolarHBondContact O-CD1 3.16Å; L37-A99 HydrophobicContact CB-CB 4.16Å; L37-A99 HydrophobicContact CD1-CB 4.01Å
38L86.2Confident83.1Confident3 Ų369.2 Ų69.22%0.01638%0.38CS..THydrogen-bonded Turntrans-92.1-2.1178.2-70.9170000113.1A34 F35 E36 I40 L56 L96 A103A34-L38 WeakPolarHBondContact O-CG 3.47Å; A34-L38 PolarHBondContact O-N 3.48Å; F35-L38 PolarHBondContact O-N 2.9Å; E36-L38 PolarHBondContact O-N 3.37Å; L38-I40 VanDerWaalsContact C-N 3.26Å; L38-I40 HydrophobicContact CB-CD1 3.9Å; L38-I40 HydrophobicContact CB-CG1 3.6Å; L38-I40 HydrophobicContact CD1-CD1 3.94Å; L38-I40 HydrophobicContact CD1-CG1 4.5Å; L38-I40 PolarHBondContact O-N 3.27Å; L38-L56 HydrophobicContact CD2-CD1 4.19Å; L38-L96 HydrophobicContact CD2-CD2 4.48Å; L38-A103 HydrophobicContact CD1-CB 3.69Å
39D85Confident83.8Confident131 Ų13165.6 Ų65.670%0.70136%0.358SS*.THydrogen-bonded Turntrans54.536.4-173.7-66.1-39.2000113.7F35 E36F35-D39 PolarHBondContact O-N 3.33Å; E36-D39 PolarHBondContact O-N 3.38Å; E36-D39 VanDerWaalsContact O-N 3.12Å
40I81.7Confident84.2Confident25 Ų2567 Ų6713%0.12836%0.359CS..  trans-122.2156.8-178.651.4166.5000112.2F35 L38 E48 C49 A52F35-I40 HydrophobicContact CD1-CD1 3.66Å; F35-I40 HydrophobicContact CD1-CG1 3.89Å; F35-I40 HydrophobicContact CE1-CD1 4.1Å; F35-I40 PolarHBondContact O-N 2.96Å; F35-I40 VanDerWaalsContact O-N 3.14Å; L38-I40 VanDerWaalsContact C-N 3.26Å; L38-I40 HydrophobicContact CB-CD1 3.9Å; L38-I40 HydrophobicContact CB-CG1 3.6Å; L38-I40 HydrophobicContact CD1-CD1 3.94Å; L38-I40 HydrophobicContact CD1-CG1 4.5Å; L38-I40 PolarHBondContact O-N 3.27Å; I40-E48 HydrophobicContact CG2-CG 4.48Å; I40-C49 HydrophobicContact CD1-CB 4.23Å; I40-C49 WeakPolarHBondContact CD1-SG 3.2Å; I40-A52 HydrophobicContact CG2-CB 3.65Å
41S82Confident84.5Confident74 Ų7471.6 Ų71.652%0.51737%0.371SS..  trans-70.7151175.3-1750000111.8S43 S44S41-S43 PolarHBondContact O-N 3.19Å; S41-S43 VanDerWaalsContact O-N 3.1Å; S41-S44 VanDerWaalsContact O-CB 3.25Å; S41-S44 WeakPolarHBondContact O-CB 3.41Å; S41-S44 PolarHBondContact O-N 3.49Å; S41-S44 VanDerWaalsContact O-N 3.14Å
42T74.5Confident84.8Confident83 Ų8371.8 Ų71.851%0.50937%0.372SS..THydrogen-bonded Turntrans-64.9-13.1-178.354.10000114.5F35F35-T42 HydrophobicContact CB-CG2 4.38Å; F35-T42 HydrophobicContact CD2-CG2 4.13Å; F35-T42 HydrophobicContact CG-CG2 4.37Å
43S72.1Confident85.1Confident99 Ų9969 Ų6969%0.69236%0.356SS*.THydrogen-bonded Turntrans-108.721.8177.868.50000113.3S41S41-S43 PolarHBondContact O-N 3.19Å; S41-S43 VanDerWaalsContact O-N 3.1Å
44S76.8Confident85.2Confident8 Ų866.7 Ų66.76%0.05635%0.349CS..  trans-66.6153.6-175.2-174.20000113S41 E48 C107S41-S44 VanDerWaalsContact O-CB 3.25Å; S41-S44 WeakPolarHBondContact O-CB 3.41Å; S41-S44 PolarHBondContact O-N 3.49Å; S41-S44 VanDerWaalsContact O-N 3.14Å; S44-E48 WeakPolarHBondContact CB-OE2 3.08Å; S44-E48 VanDerWaalsContact OG-CB 3.24Å; S44-E48 WeakPolarHBondContact OG-CB 3.39Å; S44-E48 WeakPolarHBondContact OG-CG 3.24Å; S44-E48 PolarHBondContact OG-OE2 3.12Å; S44-C107 PolarHBondContact O-SG 2.99Å
45T85.6Confident85.3Confident76 Ų7669.7 Ų69.747%0.46636%0.364SS..  trans-77152.8175.560.10000111.1E47 E48 C49T45-E47 PolarHBondContact O-N 2.97Å; T45-E47 VanDerWaalsContact O-N 3.13Å; T45-E48 PolarHBondContact O-N 3.24Å; T45-E48 WeakPolarHBondContact OG1-CB 3.41Å; T45-E48 PolarHBondContact OG1-N 3.06Å; T45-C49 PolarHBondContact O-N 3.4Å; T45-C49 PolarHBondContact O-SG 2.87Å
46P85.5Confident85.4Confident27 Ų2770.6 Ų70.618%0.17537%0.369CS..Hα-helixtrans-55.4-32.9177.3-24.432.8000113.5R50 Y104 C107 L108P46-R50 PolarHBondContact O-N 3.36Å; P46-R50 VanDerWaalsContact O-N 3.12Å; P46-Y104 HydrophobicContact CB-CD2 4.12Å; P46-Y104 HydrophobicContact CB-CE2 3.64Å; P46-C107 HydrophobicContact CG-CB 4.1Å; P46-L108 HydrophobicContact CG-CD2 4.33Å
47E85.2Confident85.4Confident148 Ų14864.8 Ų64.869%0.69235%0.345SS*.Hα-helixtrans-70.5-37.5177.7-61.8-170.1170.400113.1T45 R50 K51T45-E47 PolarHBondContact O-N 2.97Å; T45-E47 VanDerWaalsContact O-N 3.13Å; E47-R50 WeakPolarHBondContact O-CB 3.36Å; E47-R50 PolarHBondContact O-N 3.06Å; E47-K51 WeakPolarHBondContact O-CB 3.43Å; E47-K51 PolarHBondContact O-N 3.44Å
48E88.4Confident85.4Confident95 Ų9567 Ų6744%0.44435%0.346SS..Hα-helixtrans-70.3-40.9177.2-179.1179.6-155.900110.8I40 S44 T45 R50 K51 A52I40-E48 HydrophobicContact CG2-CG 4.48Å; S44-E48 WeakPolarHBondContact CB-OE2 3.08Å; S44-E48 VanDerWaalsContact OG-CB 3.24Å; S44-E48 WeakPolarHBondContact OG-CB 3.39Å; S44-E48 WeakPolarHBondContact OG-CG 3.24Å; S44-E48 PolarHBondContact OG-OE2 3.12Å; T45-E48 PolarHBondContact O-N 3.24Å; T45-E48 WeakPolarHBondContact OG1-CB 3.41Å; T45-E48 PolarHBondContact OG1-N 3.06Å; E48-R50 VanDerWaalsContact C-N 3.3Å; E48-R50 PolarHBondContact O-N 3.04Å; E48-K51 PolarHBondContact O-N 3.02Å; E48-K51 VanDerWaalsContact O-N 3.16Å; E48-A52 WeakPolarHBondContact O-CB 3.44Å; E48-A52 PolarHBondContact O-N 3.13Å
49C87.5Confident85.3Confident0 Ų074.6 Ų74.60%037%0.374CS..Hα-helixtrans-54.7-46.4169.7-650000111.6I40 T45 K51 A52 Y53 Y100I40-C49 HydrophobicContact CD1-CB 4.23Å; I40-C49 WeakPolarHBondContact CD1-SG 3.2Å; T45-C49 PolarHBondContact O-N 3.4Å; T45-C49 PolarHBondContact O-SG 2.87Å; C49-K51 PolarHBondContact O-N 3.3Å; C49-A52 PolarHBondContact O-N 3.42Å; C49-Y53 WeakPolarHBondContact O-CB 3.48Å; C49-Y53 PolarHBondContact O-N 3.14Å; C49-Y100 HydrophobicContact CB-CE2 4.46Å
50R89.4Confident85.2Confident132 Ų13269.7 Ų69.750%0.49835%0.348SS..Hα-helixtrans-63.1-42177.5-171.8-170.768.783.9-0.4112P46 E47 E48 L54 Y100P46-R50 PolarHBondContact O-N 3.36Å; P46-R50 VanDerWaalsContact O-N 3.12Å; E47-R50 WeakPolarHBondContact O-CB 3.36Å; E47-R50 PolarHBondContact O-N 3.06Å; E48-R50 VanDerWaalsContact C-N 3.3Å; E48-R50 PolarHBondContact O-N 3.04Å; R50-L54 WeakPolarHBondContact O-CG 3.33Å; R50-L54 PolarHBondContact O-N 3.46Å; R50-L54 VanDerWaalsContact O-N 3.1Å; R50-Y100 HydrophobicContact CB-CE2 4.4Å
51K89.1Confident85.2Confident138 Ų13873.6 Ų73.660%0.637%0.366SS*.Hα-helixtrans-66.7-42.1178.8-171.9-179.5178.1-175.90111.6E47 E48 C49 L54 N55E47-K51 WeakPolarHBondContact O-CB 3.43Å; E47-K51 PolarHBondContact O-N 3.44Å; E48-K51 PolarHBondContact O-N 3.02Å; E48-K51 VanDerWaalsContact O-N 3.16Å; C49-K51 PolarHBondContact O-N 3.3Å; K51-L54 PolarHBondContact O-N 3.34Å; K51-N55 VanDerWaalsContact O-CG 3.26Å; K51-N55 PolarHBondContact O-N 2.9Å; K51-N55 VanDerWaalsContact O-N 3.1Å; K51-N55 PolarHBondContact O-ND2 3.44Å
52A88.8Confident84.8Confident16 Ų1672 Ų7213%0.13235%0.353CS..Hα-helixtrans-62.2-47.517600000111.5I40 E48 C49 L54 N55 L56I40-A52 HydrophobicContact CG2-CB 3.65Å; E48-A52 WeakPolarHBondContact O-CB 3.44Å; E48-A52 PolarHBondContact O-N 3.13Å; C49-A52 PolarHBondContact O-N 3.42Å; A52-L54 PolarHBondContact O-N 3.16Å; A52-N55 PolarHBondContact O-N 2.87Å; A52-N55 VanDerWaalsContact O-N 3.17Å; A52-L56 PolarHBondContact O-N 2.94Å
53Y92.1Very high84.6Confident31 Ų3169.7 Ų69.712%0.12235%0.346CS..Hα-helixtrans-52.2-52.5174.4173.9-98.9000112.2C49 N55 L56 A57 F93 L96 H97 Y100C49-Y53 WeakPolarHBondContact O-CB 3.48Å; C49-Y53 PolarHBondContact O-N 3.14Å; Y53-N55 VanDerWaalsContact C-N 3.31Å; Y53-N55 PolarHBondContact O-N 3.37Å; Y53-L56 PolarHBondContact O-N 3.25Å; Y53-A57 VanDerWaalsContact O-CB 3.28Å; Y53-A57 WeakPolarHBondContact O-CB 3.21Å; Y53-A57 PolarHBondContact O-N 2.93Å; Y53-F93 WeakPolarHBondContact OH-CZ 3.33Å; Y53-L96 HydrophobicContact CD2-CD2 3.04Å; Y53-L96 HydrophobicContact CE2-CD2 3.12Å; Y53-L96 HydrophobicContact CG-CD2 4.12Å; Y53-H97 HydrophobicContact CE2-CB 4.42Å; Y53-Y100 VanDerWaalsContact CD2-CB 3.49Å; Y53-Y100 HydrophobicContact CD2-CD1 4.17Å; Y53-Y100 HydrophobicContact CD2-CD2 4.05Å; Y53-Y100 AromaticContact CD2-CG 3.62Å; Y53-Y100 HydrophobicContact CD2-CG 3.62Å; Y53-Y100 HydrophobicContact CE2-CD1 4.42Å; Y53-Y100 HydrophobicContact CE2-CG 4.25Å; Y53-Y100 HydrophobicContact CG-CD1 4.4Å; Y53-Y100 AromaticContact CG-CD2 3.9Å; Y53-Y100 HydrophobicContact CG-CD2 3.9Å; Y53-Y100 HydrophobicContact CG-CE2 4.39Å; Y53-Y100 AromaticContact CG-CG 3.9Å; Y53-Y100 HydrophobicContact CG-CG 3.9Å
54L89.9Confident84.5Confident60 Ų6068.2 Ų68.231%0.31433%0.333SS..Hα-helixtrans-63.3-36.2-179.2-71.9175.4000112.7R50 K51 A52 R58R50-L54 WeakPolarHBondContact O-CG 3.33Å; R50-L54 PolarHBondContact O-N 3.46Å; R50-L54 VanDerWaalsContact O-N 3.1Å; K51-L54 PolarHBondContact O-N 3.34Å; A52-L54 PolarHBondContact O-N 3.16Å; L54-R58 WeakPolarHBondContact O-CB 3.44Å; L54-R58 VanDerWaalsContact O-CG 3.25Å; L54-R58 WeakPolarHBondContact O-CG 3.16Å; L54-R58 PolarHBondContact O-N 3.44Å; L54-R58 VanDerWaalsContact O-N 3.13Å
55N88.7Confident83.8Confident66 Ų6672.1 Ų72.135%0.35335%0.349SS..Hα-helixtrans-68.1-41.5178-72.7-21.9000112K51 A52 Y53 R58 R59K51-N55 VanDerWaalsContact O-CG 3.26Å; K51-N55 PolarHBondContact O-N 2.9Å; K51-N55 VanDerWaalsContact O-N 3.1Å; K51-N55 PolarHBondContact O-ND2 3.44Å; A52-N55 PolarHBondContact O-N 2.87Å; A52-N55 VanDerWaalsContact O-N 3.17Å; Y53-N55 VanDerWaalsContact C-N 3.31Å; Y53-N55 PolarHBondContact O-N 3.37Å; N55-R58 PolarHBondContact OD1-NH1 3.37Å; N55-R59 WeakPolarHBondContact O-CG 3.3Å; N55-R59 PolarHBondContact O-N 2.87Å
56L88.2Confident82.5Confident25 Ų2573.3 Ų73.313%0.13135%0.352CS..Hα-helixtrans-72.3-41.5177.3-68173.1000112L37 L38 A52 Y53 R58 R59 I60 L96L37-L56 WeakPolarHBondContact O-CD1 3.16Å; L38-L56 HydrophobicContact CD2-CD1 4.19Å; A52-L56 PolarHBondContact O-N 2.94Å; Y53-L56 PolarHBondContact O-N 3.25Å; L56-R58 VanDerWaalsContact C-N 3.29Å; L56-R58 PolarHBondContact O-N 3.21Å; L56-R59 WeakPolarHBondContact O-CB 3.45Å; L56-R59 PolarHBondContact O-N 3.49Å; L56-I60 PolarHBondContact O-N 2.95Å; L56-I60 VanDerWaalsContact O-N 3.11Å; L56-L96 HydrophobicContact CB-CD1 3.56Å; L56-L96 HydrophobicContact CB-CG 4.44Å
57A89.9Confident81.2Confident18 Ų1879.6 Ų79.615%0.14938%0.379CS..Hα-helixtrans-58.7-40.8176.400000112.1Y53 R59 I60 H61 F93Y53-A57 VanDerWaalsContact O-CB 3.28Å; Y53-A57 WeakPolarHBondContact O-CB 3.21Å; Y53-A57 PolarHBondContact O-N 2.93Å; A57-R59 VanDerWaalsContact C-N 3.3Å; A57-R59 PolarHBondContact O-N 2.93Å; A57-I60 PolarHBondContact O-N 3.43Å; A57-H61 PolarHBondContact O-N 3.47Å; A57-F93 HydrophobicContact CB-CE2 4.19Å
58R86.4Confident79.6Confident151 Ų15179.7 Ų79.757%0.5738%0.384SS*.Hα-helixtrans-61.2-36173.9-75.8174.1-169.6146.1-0.4112.7L54 N55 L56 V64L54-R58 WeakPolarHBondContact O-CB 3.44Å; L54-R58 VanDerWaalsContact O-CG 3.25Å; L54-R58 WeakPolarHBondContact O-CG 3.16Å; L54-R58 PolarHBondContact O-N 3.44Å; L54-R58 VanDerWaalsContact O-N 3.13Å; N55-R58 PolarHBondContact OD1-NH1 3.37Å; L56-R58 VanDerWaalsContact C-N 3.29Å; L56-R58 PolarHBondContact O-N 3.21Å; R58-V64 VanDerWaalsContact O-CG2 3.26Å; R58-V64 WeakPolarHBondContact O-CG2 3.49Å
59R83.9Confident77.9Confident163 Ų16379.8 Ų79.862%0.61539%0.391SS*.Hα-helixtrans-70.3-34.1177.8-70.6173.8175.4155.3-1.6112.8N55 L56 A57 K65N55-R59 WeakPolarHBondContact O-CG 3.3Å; N55-R59 PolarHBondContact O-N 2.87Å; L56-R59 WeakPolarHBondContact O-CB 3.45Å; L56-R59 PolarHBondContact O-N 3.49Å; A57-R59 VanDerWaalsContact C-N 3.3Å; A57-R59 PolarHBondContact O-N 2.93Å; R59-K65 WeakPolarHBondContact O-CE 3.46Å
60I84.5Confident75.9Confident28 Ų2886.9 Ų86.914%0.14443%0.429CS..Hα-helixtrans-79.4-26.7-179.8-63175.5000111.3L56 A57 T89 E92 L96L56-I60 PolarHBondContact O-N 2.95Å; L56-I60 VanDerWaalsContact O-N 3.11Å; A57-I60 PolarHBondContact O-N 3.43Å; I60-T89 HydrophobicContact CG2-CG2 4.47Å; I60-E92 HydrophobicContact CD1-CB 4.21Å; I60-E92 HydrophobicContact CG2-CB 4.14Å; I60-L96 HydrophobicContact CD1-CD1 3.42Å; I60-L96 VanDerWaalsContact CD1-CD1 3.42Å
61H81.5Confident74Confident108 Ų10886 Ų8650%0.544%0.438SS..  trans-53.7128.9-176-173-94000112.4A57 G63 V64A57-H61 PolarHBondContact O-N 3.47Å; H61-G63 PolarHBondContact CE1-N 3.38Å; H61-G63 WeakPolarHBondContact ND1-CA 3.4Å; H61-G63 PolarHBondContact ND1-N 3.38Å; H61-G63 PolarHBondContact O-N 3.5Å; H61-G63 VanDerWaalsContact O-N 3.16Å; H61-V64 PolarHBondContact O-N 3.41Å
62P73.4Confident72.1Confident40 Ų4085.8 Ų85.826%0.2645%0.449SS..Hα-helixtrans-60.1-32.1-175.523.4-34.2000112.5V64 K65 N66P62-V64 VanDerWaalsContact C-N 3.26Å; P62-V64 PolarHBondContact O-N 2.96Å; P62-K65 PolarHBondContact O-N 3.28Å; P62-N66 PolarHBondContact O-N 3.48Å; P62-N66 PolarHBondContact O-OD1 2.93Å
63G70.4Confident70.2Confident35 Ų3592 Ų9236%0.36148%0.48SS..Hα-helixtrans-62.9-26.7177.600000114.7H61H61-G63 PolarHBondContact CE1-N 3.38Å; H61-G63 WeakPolarHBondContact ND1-CA 3.4Å; H61-G63 PolarHBondContact ND1-N 3.38Å; H61-G63 PolarHBondContact O-N 3.5Å; H61-G63 VanDerWaalsContact O-N 3.16Å
64V70.4Confident68.2Low67 Ų6796.6 Ų96.641%0.40651%0.506SS..Hα-helixtrans-84-35.6177.4179.50000110.9R58 H61 P62 N66R58-V64 VanDerWaalsContact O-CG2 3.26Å; R58-V64 WeakPolarHBondContact O-CG2 3.49Å; H61-V64 PolarHBondContact O-N 3.41Å; P62-V64 VanDerWaalsContact C-N 3.26Å; P62-V64 PolarHBondContact O-N 2.96Å; V64-N66 VanDerWaalsContact C-N 3.35Å
65K61.8Low66.4Low90 Ų90100.3 Ų100.339%0.39153%0.527SS..Hα-helixtrans-70.6-31.5177-67.4-178.3-178.8172.30112.2R59 P62 E67 L68 E92R59-K65 WeakPolarHBondContact O-CE 3.46Å; P62-K65 PolarHBondContact O-N 3.28Å; K65-E67 VanDerWaalsContact C-N 3.3Å; K65-E67 PolarHBondContact O-N 3.1Å; K65-L68 PolarHBondContact O-N 2.96Å; K65-L68 VanDerWaalsContact O-N 3.14Å; K65-E92 IonicContact NZ-OE2 3.93Å
66N58.4Low64.8Low101 Ų101104.7 Ų104.754%0.5455%0.55SS.*Hα-helixtrans-65.5-29.3178.1-71.54.6000113.1P62 V64 L68 T69P62-N66 PolarHBondContact O-N 3.48Å; P62-N66 PolarHBondContact O-OD1 2.93Å; V64-N66 VanDerWaalsContact C-N 3.35Å; N66-L68 PolarHBondContact O-N 3.39Å; N66-T69 PolarHBondContact O-N 3.01Å; N66-T69 PolarHBondContact O-OG1 3.42Å
67E57.1Low63.3Low160 Ų160107.4 Ų107.475%0.74857%0.571SS**THydrogen-bonded Turntrans-67.3-22.4174.7-70.1-174.3175.100112.7K65K65-E67 VanDerWaalsContact C-N 3.3Å; K65-E67 PolarHBondContact O-N 3.1Å
68L51.9Low61.6Low150 Ų150109.1 Ų109.179%0.78558%0.578SS**THydrogen-bonded Turntrans-84.3-14175.3-89118.2000113.5K65 N66K65-L68 PolarHBondContact O-N 2.96Å; K65-L68 VanDerWaalsContact O-N 3.14Å; N66-L68 PolarHBondContact O-N 3.39Å
69T53.2Low60.3Low97 Ų97107.3 Ų107.360%0.59558%0.579SS**  trans-109.145.7179.462.40000111.2N66 T71N66-T69 PolarHBondContact O-N 3.01Å; N66-T69 PolarHBondContact O-OG1 3.42Å; T69-T71 PolarHBondContact O-N 3.17Å; T69-T71 VanDerWaalsContact O-N 3.15Å
70D45.8Very low59.3Low149 Ų149104.6 Ų104.680%0.79758%0.577SS**  trans-81.556163-104.1-2.5000109.9
71T49.5Very low58.5Low113 Ų113106.7 Ų106.769%0.69359%0.588SS**  trans-150.3131.1162.2530000110.7T69T69-T71 PolarHBondContact O-N 3.17Å; T69-T71 VanDerWaalsContact O-N 3.15Å
72T47.9Very low57.8Low133 Ų133105.7 Ų105.782%0.81659%0.586SS**  trans80.785.9167.958.50000118.1D74T72-D74 PolarHBondContact O-N 3.12Å
73D48.9Very low57.8Low146 Ų146108.1 Ų108.178%0.78160%0.597SS**  trans-10105.2135.3-58.9-43.9000115.8
74D49.9Very low58.2Low128 Ų128110.1 Ų110.168%0.68460%0.599SS**  trans-165.286.8153-93.8-25.7000110.8T72 N76 N78T72-D74 PolarHBondContact O-N 3.12Å; D74-N76 PolarHBondContact O-N 3.26Å; D74-N78 VanDerWaalsContact O-CG 3.3Å; D74-N78 PolarHBondContact O-ND2 3.1Å; D74-N78 PolarHBondContact O-OD1 3.3Å
75N53.8Low58.6Low139 Ų139112.9 Ų112.974%0.74361%0.606SS**THydrogen-bonded Turntrans-75.1-0.6-163-78.3-46.4000117.6
76N54Low59.4Low158 Ų158112.3 Ų112.385%0.84561%0.605SS**THydrogen-bonded Turntrans-111-21.8-171.2-110.7-14.4000116D74D74-N76 PolarHBondContact O-N 3.26Å
77S55.9Low60.4Low81 Ų81113.1 Ų113.157%0.56660%0.604SS**THydrogen-bonded Turntrans-87.4-13.3174.7-1630000112.9N79S77-N79 VanDerWaalsContact C-N 3.31Å; S77-N79 PolarHBondContact O-N 3.41Å
78N54.4Low61.7Low54 Ų54113.4 Ų113.429%0.28960%0.598SS.*Hα-helixtrans-65-26.7-170.1-68.5-17.2000114D74 N80 I81 N82D74-N78 VanDerWaalsContact O-CG 3.3Å; D74-N78 PolarHBondContact O-ND2 3.1Å; D74-N78 PolarHBondContact O-OD1 3.3Å; N78-N80 PolarHBondContact O-N 3.06Å; N78-I81 PolarHBondContact O-N 3.45Å; N78-N82 WeakPolarHBondContact O-CB 3.4Å; N78-N82 PolarHBondContact O-N 3.44Å; N78-N82 PolarHBondContact O-ND2 3.24Å; N78-N82 PolarHBondContact O-OD1 3.5Å
79N60.6Low63.2Low114 Ų114107 Ų10761%0.6157%0.565SS**Hα-helixtrans-65.4-42.4-173.7-73.8-23.5000113.5S77 N83S77-N79 VanDerWaalsContact C-N 3.31Å; S77-N79 PolarHBondContact O-N 3.41Å; N79-N83 PolarHBondContact O-N 2.89Å; N79-N83 PolarHBondContact O-ND2 3.36Å
80N62.8Low64.7Low105 Ų105106.2 Ų106.256%0.56156%0.557SS**Hα-helixtrans-75.3-41.2-180-161.732.8000111.3N78 N82 N83 D84N78-N80 PolarHBondContact O-N 3.06Å; N80-N82 PolarHBondContact O-N 2.84Å; N80-N83 PolarHBondContact O-N 3.21Å; N80-D84 PolarHBondContact O-N 2.94Å
81I66.4Low66.8Low73 Ų73103.1 Ų103.137%0.37454%0.543SS..Hα-helixtrans-60.1-46.3176.6-67.2172.4000110.6N78 N83 D84 F85N78-I81 PolarHBondContact O-N 3.45Å; I81-N83 VanDerWaalsContact C-N 3.34Å; I81-N83 PolarHBondContact O-N 3.44Å; I81-D84 PolarHBondContact O-N 3.17Å; I81-F85 HydrophobicContact CB-CE2 4.48Å; I81-F85 HydrophobicContact CG2-CD2 3.44Å; I81-F85 VanDerWaalsContact CG2-CD2 3.44Å; I81-F85 HydrophobicContact CG2-CE2 3.07Å; I81-F85 HydrophobicContact CG2-CZ 4.11Å; I81-F85 WeakPolarHBondContact O-CB 3.49Å; I81-F85 WeakPolarHBondContact O-CD2 3.31Å; I81-F85 WeakPolarHBondContact O-CG 3.47Å; I81-F85 PolarHBondContact O-N 3.46Å
82N68.1Low68.6Low86 Ų86100.2 Ų100.246%0.4652%0.522SS..Hα-helixtrans-62.7-39176.3-70.7-20.5000112.2N78 N80 Q86N78-N82 WeakPolarHBondContact O-CB 3.4Å; N78-N82 PolarHBondContact O-N 3.44Å; N78-N82 PolarHBondContact O-ND2 3.24Å; N78-N82 PolarHBondContact O-OD1 3.5Å; N80-N82 PolarHBondContact O-N 2.84Å; N82-Q86 VanDerWaalsContact O-CB 3.28Å; N82-Q86 WeakPolarHBondContact O-CB 3.13Å; N82-Q86 PolarHBondContact O-N 3.38Å
83N73.2Confident70.7Confident91 Ų9198.2 Ų98.249%0.48750%0.502SS..Hα-helixtrans-65.2-42.1177.1-73.8-31.5000111.8N79 N80 I81 Q86 K87N79-N83 PolarHBondContact O-N 2.89Å; N79-N83 PolarHBondContact O-ND2 3.36Å; N80-N83 PolarHBondContact O-N 3.21Å; I81-N83 VanDerWaalsContact C-N 3.34Å; I81-N83 PolarHBondContact O-N 3.44Å; N83-Q86 PolarHBondContact O-N 2.94Å; N83-K87 VanDerWaalsContact O-CG 3.25Å; N83-K87 WeakPolarHBondContact O-CG 3.21Å; N83-K87 PolarHBondContact O-N 2.91Å
84D78.3Confident72.6Confident78 Ų7897.7 Ų97.742%0.41750%0.495SS..Hα-helixtrans-73.2-35.5179.3-70.7-18.8000112N80 I81 K87 R88N80-D84 PolarHBondContact O-N 2.94Å; I81-D84 PolarHBondContact O-N 3.17Å; D84-K87 PolarHBondContact O-N 3.47Å; D84-K87 IonicContact OD1-NZ 3.84Å; D84-K87 PolarHBondContact OD1-NZ 2.85Å; D84-R88 WeakPolarHBondContact O-CB 3.41Å; D84-R88 PolarHBondContact O-N 3.3Å
85F78.3Confident74.5Confident125 Ų12596.8 Ų96.855%0.54849%0.486SS..Hα-helixtrans-60.9-45.5168.5-76.3-54.7000111.9I81 R88 T89I81-F85 HydrophobicContact CB-CE2 4.48Å; I81-F85 HydrophobicContact CG2-CD2 3.44Å; I81-F85 VanDerWaalsContact CG2-CD2 3.44Å; I81-F85 HydrophobicContact CG2-CE2 3.07Å; I81-F85 HydrophobicContact CG2-CZ 4.11Å; I81-F85 WeakPolarHBondContact O-CB 3.49Å; I81-F85 WeakPolarHBondContact O-CD2 3.31Å; I81-F85 WeakPolarHBondContact O-CG 3.47Å; I81-F85 PolarHBondContact O-N 3.46Å; F85-R88 PolarHBondContact O-N 3.01Å; F85-T89 WeakPolarHBondContact O-CG2 3.34Å; F85-T89 PolarHBondContact O-N 3.36Å; F85-T89 PolarHBondContact O-OG1 3.43Å
86Q78.3Confident76.2Confident78 Ų7891 Ų9136%0.36446%0.455SS..Hα-helixtrans-63-45178.3-172.462.241.400111.4N82 N83 R88 T89 D90N82-Q86 VanDerWaalsContact O-CB 3.28Å; N82-Q86 WeakPolarHBondContact O-CB 3.13Å; N82-Q86 PolarHBondContact O-N 3.38Å; N83-Q86 PolarHBondContact O-N 2.94Å; Q86-R88 VanDerWaalsContact C-N 3.26Å; Q86-R88 PolarHBondContact O-N 3.44Å; Q86-T89 WeakPolarHBondContact CA-OG1 3.28Å; Q86-T89 PolarHBondContact O-N 3.13Å; Q86-T89 PolarHBondContact O-OG1 2.84Å; Q86-D90 PolarHBondContact NE2-OD1 3.32Å; Q86-D90 WeakPolarHBondContact O-CB 3.25Å; Q86-D90 PolarHBondContact O-N 2.86Å; Q86-D90 VanDerWaalsContact O-OD2 3.14Å
87K80.6Confident78Confident118 Ų11887 Ų8751%0.51343%0.431SS..Hα-helixtrans-58.6-40.4174.8-71.2168.1-164.21600111.6N83 D84 D90 V91N83-K87 VanDerWaalsContact O-CG 3.25Å; N83-K87 WeakPolarHBondContact O-CG 3.21Å; N83-K87 PolarHBondContact O-N 2.91Å; D84-K87 PolarHBondContact O-N 3.47Å; D84-K87 IonicContact OD1-NZ 3.84Å; D84-K87 PolarHBondContact OD1-NZ 2.85Å; K87-D90 PolarHBondContact O-N 2.93Å; K87-V91 WeakPolarHBondContact O-CG2 3.5Å; K87-V91 PolarHBondContact O-N 3.28Å; K87-V91 VanDerWaalsContact O-N 3.11Å
88R83.5Confident79.6Confident165 Ų16588.8 Ų88.862%0.62343%0.431SS*.Hα-helixtrans-67-44.6178.4-176.1175.31751684.6111.8D84 F85 Q86 D90 V91 E92D84-R88 WeakPolarHBondContact O-CB 3.41Å; D84-R88 PolarHBondContact O-N 3.3Å; F85-R88 PolarHBondContact O-N 3.01Å; Q86-R88 VanDerWaalsContact C-N 3.26Å; Q86-R88 PolarHBondContact O-N 3.44Å; R88-D90 VanDerWaalsContact C-N 3.31Å; R88-D90 PolarHBondContact O-N 2.91Å; R88-V91 PolarHBondContact O-N 3.2Å; R88-E92 IonicContact NE-OE1 2.74Å; R88-E92 PolarHBondContact NE-OE1 3.27Å; R88-E92 WeakPolarHBondContact O-CG 3.46Å; R88-E92 PolarHBondContact O-N 2.72Å
89T83.9Confident81.3Confident16 Ų1686.4 Ų86.410%0.09842%0.419CS..Hα-helixtrans-66.4-34176.554.80000112I60 F85 Q86 E92 F93I60-T89 HydrophobicContact CG2-CG2 4.47Å; F85-T89 WeakPolarHBondContact O-CG2 3.34Å; F85-T89 PolarHBondContact O-N 3.36Å; F85-T89 PolarHBondContact O-OG1 3.43Å; Q86-T89 WeakPolarHBondContact CA-OG1 3.28Å; Q86-T89 PolarHBondContact O-N 3.13Å; Q86-T89 PolarHBondContact O-OG1 2.84Å; T89-E92 PolarHBondContact O-N 2.81Å; T89-F93 VanDerWaalsContact O-CB 3.27Å; T89-F93 WeakPolarHBondContact O-CB 3.19Å; T89-F93 PolarHBondContact O-N 3.49Å
90D85.4Confident82.7Confident81 Ų8182.2 Ų82.243%0.43340%0.395SS..Hα-helixtrans-63.3-43.4175.2-66.2-23.6000111.2Q86 K87 R88 F93 H94Q86-D90 PolarHBondContact NE2-OD1 3.32Å; Q86-D90 WeakPolarHBondContact O-CB 3.25Å; Q86-D90 PolarHBondContact O-N 2.86Å; Q86-D90 VanDerWaalsContact O-OD2 3.14Å; K87-D90 PolarHBondContact O-N 2.93Å; R88-D90 VanDerWaalsContact C-N 3.31Å; R88-D90 PolarHBondContact O-N 2.91Å; D90-F93 PolarHBondContact O-N 2.88Å; D90-H94 WeakPolarHBondContact O-CB 3.37Å; D90-H94 PolarHBondContact O-N 2.87Å
91V88.6Confident83.9Confident83 Ų8379.2 Ų79.250%0.50338%0.38SS..Hα-helixtrans-66-45.5176.1173.60000111.4K87 R88 F93 H94 Q95K87-V91 WeakPolarHBondContact O-CG2 3.5Å; K87-V91 PolarHBondContact O-N 3.28Å; K87-V91 VanDerWaalsContact O-N 3.11Å; R88-V91 PolarHBondContact O-N 3.2Å; V91-F93 VanDerWaalsContact C-N 3.3Å; V91-F93 PolarHBondContact O-N 3.13Å; V91-H94 PolarHBondContact O-N 2.69Å; V91-Q95 WeakPolarHBondContact O-CG 3.5Å; V91-Q95 PolarHBondContact O-N 3.21Å
92E88.1Confident84.9Confident52 Ų5278.3 Ų78.324%0.24338%0.375CS..Hα-helixtrans-59.7-42176.5-72.1173.2-170.100111.2I60 K65 R88 T89 Q95 L96I60-E92 HydrophobicContact CD1-CB 4.21Å; I60-E92 HydrophobicContact CG2-CB 4.14Å; K65-E92 IonicContact NZ-OE2 3.93Å; R88-E92 IonicContact NE-OE1 2.74Å; R88-E92 PolarHBondContact NE-OE1 3.27Å; R88-E92 WeakPolarHBondContact O-CG 3.46Å; R88-E92 PolarHBondContact O-N 2.72Å; T89-E92 PolarHBondContact O-N 2.81Å; E92-Q95 PolarHBondContact O-N 3.42Å; E92-L96 WeakPolarHBondContact O-CB 3.2Å; E92-L96 PolarHBondContact O-N 3.34Å
93F91Very high85.8Confident92 Ų9274.2 Ų74.240%0.40435%0.354SS..Hα-helixtrans-65.8-39.9176.5-175-93.9000112.2Y53 A57 T89 D90 V91 L96 H97Y53-F93 WeakPolarHBondContact OH-CZ 3.33Å; A57-F93 HydrophobicContact CB-CE2 4.19Å; T89-F93 VanDerWaalsContact O-CB 3.27Å; T89-F93 WeakPolarHBondContact O-CB 3.19Å; T89-F93 PolarHBondContact O-N 3.49Å; D90-F93 PolarHBondContact O-N 2.88Å; V91-F93 VanDerWaalsContact C-N 3.3Å; V91-F93 PolarHBondContact O-N 3.13Å; F93-L96 PolarHBondContact O-N 3.17Å; F93-H97 WeakPolarHBondContact O-CB 3.33Å; F93-H97 PolarHBondContact O-N 3.08Å
94H89.4Confident86.4Confident134 Ų13472.9 Ų72.962%0.6234%0.342SS*.Hα-helixtrans-63.2-45177.5-140.378.3000111.6D90 V91 H97 E98D90-H94 WeakPolarHBondContact O-CB 3.37Å; D90-H94 PolarHBondContact O-N 2.87Å; V91-H94 PolarHBondContact O-N 2.69Å; H94-H97 PolarHBondContact O-N 3.3Å; H94-E98 PolarHBondContact O-N 3.35Å
95Q89.8Confident86.7Confident110 Ų11073.9 Ų73.951%0.51434%0.344SS..Hα-helixtrans-62.4-43176.9-71.4174.8-1.600112V91 E92 H97 E98 A99V91-Q95 WeakPolarHBondContact O-CG 3.5Å; V91-Q95 PolarHBondContact O-N 3.21Å; E92-Q95 PolarHBondContact O-N 3.42Å; Q95-H97 VanDerWaalsContact C-N 3.34Å; Q95-E98 PolarHBondContact O-N 3.27Å; Q95-A99 PolarHBondContact O-N 2.84Å
96L90.4Very high86.9Confident16 Ų1669.5 Ų69.58%0.08433%0.326CS..Hα-helixtrans-63.1-42.4176.7-168.9168.9000110.7L38 Y53 L56 I60 E92 F93 A99 Y100L38-L96 HydrophobicContact CD2-CD2 4.48Å; Y53-L96 HydrophobicContact CD2-CD2 3.04Å; Y53-L96 HydrophobicContact CE2-CD2 3.12Å; Y53-L96 HydrophobicContact CG-CD2 4.12Å; L56-L96 HydrophobicContact CB-CD1 3.56Å; L56-L96 HydrophobicContact CB-CG 4.44Å; I60-L96 HydrophobicContact CD1-CD1 3.42Å; I60-L96 VanDerWaalsContact CD1-CD1 3.42Å; E92-L96 WeakPolarHBondContact O-CB 3.2Å; E92-L96 PolarHBondContact O-N 3.34Å; F93-L96 PolarHBondContact O-N 3.17Å; L96-A99 PolarHBondContact O-N 3.41Å; L96-Y100 PolarHBondContact O-N 3.02Å
97H91.4Very high87.1Confident75 Ų7565.9 Ų65.935%0.34731%0.31SS..Hα-helixtrans-65.5-42.9177.7-172.668.3000112.6Y53 F93 H94 Q95 A99 Y100 T101Y53-H97 HydrophobicContact CE2-CB 4.42Å; F93-H97 WeakPolarHBondContact O-CB 3.33Å; F93-H97 PolarHBondContact O-N 3.08Å; H94-H97 PolarHBondContact O-N 3.3Å; Q95-H97 VanDerWaalsContact C-N 3.34Å; H97-A99 VanDerWaalsContact C-N 3.32Å; H97-A99 PolarHBondContact O-N 3.22Å; H97-Y100 PolarHBondContact O-N 3.44Å; H97-T101 WeakPolarHBondContact O-CG2 3.47Å; H97-T101 PolarHBondContact O-N 3.47Å; H97-T101 PolarHBondContact O-OG1 3.01Å
98E89.8Confident87Confident119 Ų11962.6 Ų62.656%0.55630%0.297SS*.Hα-helixtrans-60.6-41174.5-173.1-176.9177.900111.9H94 Q95 T101 L102H94-E98 PolarHBondContact O-N 3.35Å; Q95-E98 PolarHBondContact O-N 3.27Å; E98-T101 PolarHBondContact O-OG1 3.22Å; E98-L102 WeakPolarHBondContact O-CG 3.48Å; E98-L102 PolarHBondContact O-N 2.94Å
99A89.5Confident86.7Confident4 Ų461 Ų613%0.03330%0.295CS..Hα-helixtrans-62.9-42.9173.500000111.9A34 L37 Q95 L96 H97 L102 A103A34-A99 HydrophobicContact CB-CB 4.07Å; L37-A99 HydrophobicContact CB-CB 4.16Å; L37-A99 HydrophobicContact CD1-CB 4.01Å; Q95-A99 PolarHBondContact O-N 2.84Å; L96-A99 PolarHBondContact O-N 3.41Å; H97-A99 VanDerWaalsContact C-N 3.32Å; H97-A99 PolarHBondContact O-N 3.22Å; A99-L102 PolarHBondContact O-N 3.43Å; A99-A103 WeakPolarHBondContact O-CB 3.22Å; A99-A103 PolarHBondContact O-N 2.87Å
100Y90Very high86.2Confident26 Ų2666 Ų6610%0.10232%0.321CS..Hα-helixtrans-62.7-45.7177.5169.9-103.4000113.3C49 R50 Y53 L96 H97 L102 A103 Y104C49-Y100 HydrophobicContact CB-CE2 4.46Å; R50-Y100 HydrophobicContact CB-CE2 4.4Å; Y53-Y100 VanDerWaalsContact CD2-CB 3.49Å; Y53-Y100 HydrophobicContact CD2-CD1 4.17Å; Y53-Y100 HydrophobicContact CD2-CD2 4.05Å; Y53-Y100 AromaticContact CD2-CG 3.62Å; Y53-Y100 HydrophobicContact CD2-CG 3.62Å; Y53-Y100 HydrophobicContact CE2-CD1 4.42Å; Y53-Y100 HydrophobicContact CE2-CG 4.25Å; Y53-Y100 HydrophobicContact CG-CD1 4.4Å; Y53-Y100 AromaticContact CG-CD2 3.9Å; Y53-Y100 HydrophobicContact CG-CD2 3.9Å; Y53-Y100 HydrophobicContact CG-CE2 4.39Å; Y53-Y100 AromaticContact CG-CG 3.9Å; Y53-Y100 HydrophobicContact CG-CG 3.9Å; L96-Y100 PolarHBondContact O-N 3.02Å; H97-Y100 PolarHBondContact O-N 3.44Å; Y100-L102 VanDerWaalsContact C-N 3.34Å; Y100-L102 PolarHBondContact O-N 3.46Å; Y100-A103 PolarHBondContact O-N 3.28Å; Y100-Y104 HydrophobicContact CE2-CD2 4.27Å; Y100-Y104 WeakPolarHBondContact O-CB 3.45Å; Y100-Y104 PolarHBondContact O-N 3.4Å
101T88.6Confident85.3Confident42 Ų4267 Ų6726%0.25833%0.327SS..Hα-helixtrans-61.4-45179.153.60000110.9H97 E98 Y104 E105H97-T101 WeakPolarHBondContact O-CG2 3.47Å; H97-T101 PolarHBondContact O-N 3.47Å; H97-T101 PolarHBondContact O-OG1 3.01Å; E98-T101 PolarHBondContact O-OG1 3.22Å; T101-Y104 PolarHBondContact O-N 3.01Å; T101-E105 WeakPolarHBondContact O-CB 3.2Å; T101-E105 WeakPolarHBondContact O-CG 3.4Å; T101-E105 PolarHBondContact O-N 3.41Å
102L87.5Confident83.8Confident53 Ų5369.6 Ų69.628%0.27733%0.333SS..Hα-helixtrans-62.4-46.8176.4-69.3175.8000112.6A34 E98 A99 Y100 E105 I106A34-L102 HydrophobicContact CB-CB 4.2Å; E98-L102 WeakPolarHBondContact O-CG 3.48Å; E98-L102 PolarHBondContact O-N 2.94Å; A99-L102 PolarHBondContact O-N 3.43Å; Y100-L102 VanDerWaalsContact C-N 3.34Å; Y100-L102 PolarHBondContact O-N 3.46Å; L102-E105 PolarHBondContact O-N 2.96Å; L102-I106 WeakPolarHBondContact O-CD1 3.43Å; L102-I106 VanDerWaalsContact O-CG1 3.27Å; L102-I106 WeakPolarHBondContact O-CG1 3.44Å; L102-I106 PolarHBondContact O-N 2.85Å
103A86.6Confident82Confident0 Ų077.1 Ų77.10%037%0.368CS..Hα-helixtrans-62.8-43.8178.800000111.6F35 L38 A99 Y100 I106 C107F35-A103 HydrophobicContact CD1-CB 4.19Å; F35-A103 HydrophobicContact CE1-CB 3.84Å; F35-A103 HydrophobicContact CZ-CB 4.16Å; L38-A103 HydrophobicContact CD1-CB 3.69Å; A99-A103 WeakPolarHBondContact O-CB 3.22Å; A99-A103 PolarHBondContact O-N 2.87Å; Y100-A103 PolarHBondContact O-N 3.28Å; A103-I106 PolarHBondContact O-N 2.86Å; A103-C107 PolarHBondContact O-N 3.42Å; A103-C107 PolarHBondContact O-SG 3.11Å
104Y86.5Confident79.9Confident63 Ų6377.4 Ų77.425%0.24738%0.381CS..Hα-helixtrans-64.3-43.2179.9-169.2-100.8000112P46 Y100 T101 I106 C107 L108P46-Y104 HydrophobicContact CB-CD2 4.12Å; P46-Y104 HydrophobicContact CB-CE2 3.64Å; Y100-Y104 HydrophobicContact CE2-CD2 4.27Å; Y100-Y104 WeakPolarHBondContact O-CB 3.45Å; Y100-Y104 PolarHBondContact O-N 3.4Å; T101-Y104 PolarHBondContact O-N 3.01Å; Y104-I106 VanDerWaalsContact C-N 3.3Å; Y104-I106 PolarHBondContact O-N 3.33Å; Y104-C107 PolarHBondContact O-N 3.04Å; Y104-L108 HydrophobicContact CD1-CD1 3.62Å; Y104-L108 HydrophobicContact CD1-CG 4.21Å; Y104-L108 HydrophobicContact CE1-CD1 3.25Å; Y104-L108 HydrophobicContact CE1-CG 3.96Å; Y104-L108 WeakPolarHBondContact O-CB 3.27Å; Y104-L108 WeakPolarHBondContact O-CG 3.38Å; Y104-L108 PolarHBondContact O-N 3.35Å
105E83.8Confident77.9Confident99 Ų9974.1 Ų74.146%0.46338%0.384SS..Hα-helixtrans-59.1-40174.5-77.9-175.7-168.700112.6T101 L102 L108 K109T101-E105 WeakPolarHBondContact O-CB 3.2Å; T101-E105 WeakPolarHBondContact O-CG 3.4Å; T101-E105 PolarHBondContact O-N 3.41Å; L102-E105 PolarHBondContact O-N 2.96Å; E105-L108 PolarHBondContact O-N 3.27Å; E105-K109 WeakPolarHBondContact O-CB 3.41Å; E105-K109 VanDerWaalsContact O-CG 3.28Å; E105-K109 WeakPolarHBondContact O-CG 3.26Å; E105-K109 PolarHBondContact O-N 3.43Å; E105-K109 IonicContact OE2-NZ 3.92Å
106I82.9Confident75.9Confident33 Ų3375.5 Ų75.517%0.16940%0.395CS..Hα-helixtrans-69.8-46.3179.1-66.2163.8000110.7A31 F35 L102 A103 Y104 L108 K109 N110A31-I106 HydrophobicContact CB-CD1 3.23Å; F35-I106 HydrophobicContact CE2-CB 4.47Å; F35-I106 HydrophobicContact CE2-CD1 4.1Å; F35-I106 HydrophobicContact CE2-CG2 4.17Å; F35-I106 HydrophobicContact CZ-CB 4.27Å; F35-I106 HydrophobicContact CZ-CG2 4.12Å; L102-I106 WeakPolarHBondContact O-CD1 3.43Å; L102-I106 VanDerWaalsContact O-CG1 3.27Å; L102-I106 WeakPolarHBondContact O-CG1 3.44Å; L102-I106 PolarHBondContact O-N 2.85Å; A103-I106 PolarHBondContact O-N 2.86Å; Y104-I106 VanDerWaalsContact C-N 3.3Å; Y104-I106 PolarHBondContact O-N 3.33Å; I106-L108 PolarHBondContact O-N 3.31Å; I106-K109 PolarHBondContact O-N 3.35Å; I106-N110 PolarHBondContact O-N 3.34Å; I106-N110 VanDerWaalsContact O-N 3.09Å; I106-N110 PolarHBondContact O-ND2 2.9Å
107C81.9Confident74Confident2 Ų282.1 Ų82.11%0.01443%0.43CS..Hα-helixtrans-57.6-40.2175.5-68.60000111.1S44 P46 A103 Y104 N111S44-C107 PolarHBondContact O-SG 2.99Å; P46-C107 HydrophobicContact CG-CB 4.1Å; A103-C107 PolarHBondContact O-N 3.42Å; A103-C107 PolarHBondContact O-SG 3.11Å; Y104-C107 PolarHBondContact O-N 3.04Å; C107-N111 PolarHBondContact O-N 2.87Å; C107-N111 PolarHBondContact O-ND2 3.23Å
108L77.9Confident71.9Confident49 Ų4987.5 Ų87.526%0.25745%0.449SS..Hα-helixtrans-69.3-43.7177.1-76.5178.8000113.2P46 Y104 E105 I106 N110 N111 H112 L119P46-L108 HydrophobicContact CG-CD2 4.33Å; Y104-L108 HydrophobicContact CD1-CD1 3.62Å; Y104-L108 HydrophobicContact CD1-CG 4.21Å; Y104-L108 HydrophobicContact CE1-CD1 3.25Å; Y104-L108 HydrophobicContact CE1-CG 3.96Å; Y104-L108 WeakPolarHBondContact O-CB 3.27Å; Y104-L108 WeakPolarHBondContact O-CG 3.38Å; Y104-L108 PolarHBondContact O-N 3.35Å; E105-L108 PolarHBondContact O-N 3.27Å; I106-L108 PolarHBondContact O-N 3.31Å; L108-N110 PolarHBondContact O-N 2.8Å; L108-N111 PolarHBondContact O-N 3.43Å; L108-H112 PolarHBondContact O-N 2.99Å; L108-L119 HydrophobicContact CD1-CD2 4.28Å
109K79Confident70.1Confident132 Ų13285.9 Ų85.957%0.57444%0.443SS*.Hα-helixtrans-58-34.2176.2-76.5169.8-174.7165.40112.2E105 I106 N111E105-K109 WeakPolarHBondContact O-CB 3.41Å; E105-K109 VanDerWaalsContact O-CG 3.28Å; E105-K109 WeakPolarHBondContact O-CG 3.26Å; E105-K109 PolarHBondContact O-N 3.43Å; E105-K109 IonicContact OE2-NZ 3.92Å; I106-K109 PolarHBondContact O-N 3.35Å; K109-N111 VanDerWaalsContact C-N 3.34Å
110N72.6Confident68.1Low121 Ų12193 Ų9365%0.64748%0.476SS*.Hα-helixtrans-72.5-24.9175.1-67.3-24.4000113.3I106 L108I106-N110 PolarHBondContact O-N 3.34Å; I106-N110 VanDerWaalsContact O-N 3.09Å; I106-N110 PolarHBondContact O-ND2 2.9Å; L108-N110 PolarHBondContact O-N 2.8Å
111N66Low66.3Low103 Ų10397.5 Ų97.555%0.55150%0.498SS*.Hα-helixtrans-96.3-24.5-176-76-63.4000114C107 L108 K109C107-N111 PolarHBondContact O-N 2.87Å; C107-N111 PolarHBondContact O-ND2 3.23Å; L108-N111 PolarHBondContact O-N 3.43Å; K109-N111 VanDerWaalsContact C-N 3.34Å
112H57.6Low64.6Low137 Ų137101.4 Ų101.463%0.63451%0.513SS*.  trans-138.2109.2-176-90.3-93.2000112.6L108 S114L108-H112 PolarHBondContact O-N 2.99Å; H112-S114 PolarHBondContact O-N 2.92Å
113E50.8Low62.9Low209 Ų209102.9 Ų102.998%0.97752%0.521SS*.SBendtrans-77.510.8160.8-73.7-167.2156.900112.9
114S46.4Very low61.2Low98 Ų98107 Ų10769%0.68554%0.543SS*.SBendtrans-143.8113.1-173.2-178.90000113.5H112H112-S114 PolarHBondContact O-N 2.92Å
115G46.2Very low59.6Low65 Ų65107.5 Ų107.567%0.6755%0.55SS*.  trans114.182.9156.300000116.3D117G115-D117 VanDerWaalsContact C-N 3.33Å; G115-D117 PolarHBondContact O-N 3.49Å
116N48.9Very low58.1Low139 Ų139107.5 Ų107.574%0.74355%0.553SS**THydrogen-bonded Turntrans-75.21.6-176.4-94.4-41000116.8
117D49.6Very low56.7Low155 Ų155111.5 Ų111.583%0.82957%0.573SS**THydrogen-bonded Turntrans-104.1-5-165.8-77.2-14.4000116.6G115G115-D117 VanDerWaalsContact C-N 3.33Å; G115-D117 PolarHBondContact O-N 3.49Å
118Y49Very low55.1Low189 Ų189117.2 Ų117.274%0.74160%0.6SS**SBendtrans-89.3-0.6177-89.8-87.9000114.3
119L51.5Low54Low84 Ų84122.6 Ų122.644%0.4462%0.624SS.*Hα-helixtrans-76.3-39-163.3-63.6180000115.3L108L108-L119 HydrophobicContact CD1-CD2 4.28Å
120H47.5Very low52.4Low154 Ų154123.5 Ų123.571%0.71363%0.628SS**Hα-helixtrans-79.8-21.6-179.9-81.4-55.7000112.9N124H120-N124 WeakPolarHBondContact O-CB 3.41Å; H120-N124 PolarHBondContact O-N 2.67Å; H120-N124 PolarHBondContact O-ND2 2.82Å
121E51.7Low51.2Low121 Ų121127.8 Ų127.857%0.56564%0.635SS**Hα-helixtrans-80.3-40.9-173.7-163.2138.1-166.200111.4N124 N125E121-N124 PolarHBondContact O-N 2.93Å; E121-N125 VanDerWaalsContact CG-ND2 3.31Å; E121-N125 WeakPolarHBondContact CG-ND2 3.33Å; E121-N125 WeakPolarHBondContact O-CB 3.26Å; E121-N125 PolarHBondContact O-N 2.74Å; E121-N125 PolarHBondContact O-ND2 3.34Å; E121-N125 PolarHBondContact O-OD1 3.48Å
122Q53.2Low50.6Low123 Ų123130.6 Ų130.658%0.57564%0.644SS**Hα-helixtrans-68-42.9178.8-118.5157.7-700113.1N124 N125 D126Q122-N124 PolarHBondContact O-N 2.7Å; Q122-N125 PolarHBondContact O-N 3.02Å; Q122-D126 PolarHBondContact O-N 2.85Å
123L51.5Low50.4Low85 Ų85133 Ų13345%0.44565%0.653SS.*Hα-helixtrans-66-37.8175.6-75.4171.5000112.7I127L123-I127 WeakPolarHBondContact O-CG1 3.49Å
124N51Low50.4Low86 Ų86125.5 Ų125.546%0.4663%0.627SS.*Hα-helixtrans-74.6-34.4177.4-77.1-35.3000112.6H120 E121 Q122 I127 Q128H120-N124 WeakPolarHBondContact O-CB 3.41Å; H120-N124 PolarHBondContact O-N 2.67Å; H120-N124 PolarHBondContact O-ND2 2.82Å; E121-N124 PolarHBondContact O-N 2.93Å; Q122-N124 PolarHBondContact O-N 2.7Å; N124-I127 PolarHBondContact O-N 3.44Å; N124-Q128 WeakPolarHBondContact O-CG 3.28Å; N124-Q128 PolarHBondContact O-N 3.48Å
125N53.6Low50.7Low74 Ų74124.1 Ų124.140%0.39662%0.616SS.*Hα-helixtrans-68.3-36.7-179.8-72.1-18000111.7E121 Q122 I127 Q128 E129E121-N125 VanDerWaalsContact CG-ND2 3.31Å; E121-N125 WeakPolarHBondContact CG-ND2 3.33Å; E121-N125 WeakPolarHBondContact O-CB 3.26Å; E121-N125 PolarHBondContact O-N 2.74Å; E121-N125 PolarHBondContact O-ND2 3.34Å; E121-N125 PolarHBondContact O-OD1 3.48Å; Q122-N125 PolarHBondContact O-N 3.02Å; N125-I127 VanDerWaalsContact C-N 3.32Å; N125-I127 PolarHBondContact O-N 3.11Å; N125-Q128 WeakPolarHBondContact O-CB 3.42Å; N125-Q128 PolarHBondContact O-N 3.27Å; N125-Q128 VanDerWaalsContact O-N 3.08Å; N125-E129 PolarHBondContact O-N 3.47Å
126D51.3Low51.4Low99 Ų99129.9 Ų129.953%0.52963%0.625SS.*Hα-helixtrans-68.9-30176.8-69.8-6.1000112.3Q122 Q128Q122-D126 PolarHBondContact O-N 2.85Å; D126-Q128 VanDerWaalsContact C-N 3.3Å
127I53.6Low51.8Low116 Ų116128.8 Ų128.860%0.59562%0.615SS**Hα-helixtrans-69.4-31.3171.7-63.3168.3000110.8L123 N124 N125L123-I127 WeakPolarHBondContact O-CG1 3.49Å; N124-I127 PolarHBondContact O-N 3.44Å; N125-I127 VanDerWaalsContact C-N 3.32Å; N125-I127 PolarHBondContact O-N 3.11Å
128Q49Very low52Low122 Ų122128.9 Ų128.957%0.5760%0.604SS**Hα-helixtrans-77.7-19.2178.9-69.6-174.128.800114.2N124 N125 D126 F130 R131N124-Q128 WeakPolarHBondContact O-CG 3.28Å; N124-Q128 PolarHBondContact O-N 3.48Å; N125-Q128 WeakPolarHBondContact O-CB 3.42Å; N125-Q128 PolarHBondContact O-N 3.27Å; N125-Q128 VanDerWaalsContact O-N 3.08Å; D126-Q128 VanDerWaalsContact C-N 3.3Å; Q128-F130 PolarHBondContact O-N 2.9Å; Q128-R131 PolarHBondContact O-N 3.24Å
129E53.6Low52.2Low162 Ų162128.7 Ų128.776%0.75760%0.602SS**Hα-helixtrans-64.1-30.6176-170.1172.8-167.500111.6N125 R131N125-E129 PolarHBondContact O-N 3.47Å; E129-R131 PolarHBondContact O-N 3.04Å
130F46.3Very low52.4Low152 Ų152128.8 Ų128.867%0.66760%0.599SS**SBendtrans-76.272.6165-60.9-76.8000109.7Q128 H132Q128-F130 PolarHBondContact O-N 2.9Å; F130-H132 PolarHBondContact O-N 3.16Å
131R46.4Very low52.6Low210 Ų210126.5 Ų126.579%0.79259%0.592SS**  trans-55.396.4155.3-76.3-169.1-172.9-174.43.8106.1Q128 E129 K133Q128-R131 PolarHBondContact O-N 3.24Å; E129-R131 PolarHBondContact O-N 3.04Å; R131-K133 PolarHBondContact O-N 3.05Å
132H53.1Low52.9Low162 Ų162124.1 Ų124.175%0.7558%0.583SS**  trans-58.792.2167.6-60.3-55.9000106.1F130 A134F130-H132 PolarHBondContact O-N 3.16Å; H132-A134 HydrophobicContact CB-CB 4.49Å; H132-A134 PolarHBondContact O-N 3.35Å
133K54.5Low52.8Low189 Ų189120.3 Ų120.382%0.82257%0.566SS**  trans-71.563.7156-64.8-175.8-174179.70105R131 P135R131-K133 PolarHBondContact O-N 3.05Å; K133-P135 VanDerWaalsContact O-N 3.14Å
134A51.5Low52.6Low51 Ų51118.5 Ų118.542%0.42157%0.568SS.*  trans-53.4125.9-17700000106.2H132 Q136H132-A134 HydrophobicContact CB-CB 4.49Å; H132-A134 PolarHBondContact O-N 3.35Å; A134-Q136 PolarHBondContact O-N 2.86Å
135P51.5Low52.5Low69 Ų69122 Ų12245%0.44858%0.575SS.*  trans-49.1138.8-175.8-29.934.6000110.6K133 H137 R138K133-P135 VanDerWaalsContact O-N 3.14Å; P135-H137 WeakPolarHBondContact CB-CE1 3.3Å; P135-H137 VanDerWaalsContact CB-ND1 3.34Å; P135-H137 WeakPolarHBondContact CB-ND1 3.4Å; P135-H137 PolarHBondContact O-N 3.46Å; P135-R138 PolarHBondContact O-N 2.91Å
136Q60.4Low52.2Low186 Ų186127.3 Ų127.387%0.86960%0.597SS**THydrogen-bonded Turntrans-51.1-19.3-174.9-64.6178-1.100113.4A134A134-Q136 PolarHBondContact O-N 2.86Å
137H57.7Low52Low115 Ų115125 Ų12553%0.53258%0.583SS.*THydrogen-bonded Turntrans-75-19.2178.263-117.5000116P135 R139 F140P135-H137 WeakPolarHBondContact CB-CE1 3.3Å; P135-H137 VanDerWaalsContact CB-ND1 3.34Å; P135-H137 WeakPolarHBondContact CB-ND1 3.4Å; P135-H137 PolarHBondContact O-N 3.46Å; H137-R139 PolarHBondContact O-N 3.41Å; H137-F140 WeakPolarHBondContact O-CB 3.23Å; H137-F140 PolarHBondContact O-N 2.87Å
138R54.5Low51.4Low157 Ų157127.8 Ų127.859%0.59259%0.593SS**Hα-helixtrans-60.6-36.8175.7-98.9-171-173.4-153.52.6112.2P135 F140 L141 D142P135-R138 PolarHBondContact O-N 2.91Å; R138-F140 PolarHBondContact O-N 2.88Å; R138-L141 PolarHBondContact O-N 3.42Å; R138-D142 PolarHBondContact O-N 2.92Å
139R52.5Low51.1Low185 Ų185130.6 Ų130.670%0.69861%0.606SS**Hα-helixtrans-62.8-23.3176-70.6-174.9170.3178.5-2.5113.8H137 L143H137-R139 PolarHBondContact O-N 3.41Å; R139-L143 WeakPolarHBondContact O-CD1 3.35Å
140F56.1Low50.5Low86 Ų86128.4 Ų128.438%0.37760%0.599SS.*Hα-helixtrans-76.1-29.1174-94.4-83.1000112.4H137 R138 H165 R166H137-F140 WeakPolarHBondContact O-CB 3.23Å; H137-F140 PolarHBondContact O-N 2.87Å; R138-F140 PolarHBondContact O-N 2.88Å; F140-H165 AromaticContact CD1-CD2 3.96Å; F140-H165 PolarHBondContact O-NE2 3.46Å; F140-R166 HydrophobicContact CE1-CB 4.2Å; F140-R166 HydrophobicContact CE1-CG 4.42Å; F140-R166 HydrophobicContact CZ-CG 4.28Å
141L52.8Low50.6Low107 Ų107130.2 Ų130.256%0.5662%0.616SS**Hα-helixtrans-88.5-40.5-177.6-62.9175.3000112.5R138 L143 G144R138-L141 PolarHBondContact O-N 3.42Å; L141-L143 VanDerWaalsContact C-N 3.31Å; L141-L143 PolarHBondContact O-N 3.43Å; L141-G144 PolarHBondContact O-N 2.88Å
142D56.2Low50.7Low71 Ų71122.9 Ų122.938%0.3861%0.605SS.*Hα-helixtrans-70.6-24.7-172.9-66.7-29.2000113.8R138 G144 R145 H146R138-D142 PolarHBondContact O-N 2.92Å; D142-G144 PolarHBondContact O-N 2.91Å; D142-R145 PolarHBondContact O-N 3.32Å; D142-R145 IonicContact OD1-NE 3.97Å; D142-R145 IonicContact OD1-NH2 3.59Å; D142-R145 PolarHBondContact OD1-NH2 3.38Å; D142-H146 PolarHBondContact O-N 2.99Å
143L51.7Low50.3Low43 Ų43117.8 Ų117.823%0.22558%0.583CS.*THydrogen-bonded Turntrans-62.7-29.6174.5-71.3170.6000112.5R139 L141 R145 V169R139-L143 WeakPolarHBondContact O-CD1 3.35Å; L141-L143 VanDerWaalsContact C-N 3.31Å; L141-L143 PolarHBondContact O-N 3.43Å; L143-R145 VanDerWaalsContact C-N 3.32Å; L143-V169 HydrophobicContact CD1-CB 3.98Å; L143-V169 HydrophobicContact CD1-CG1 3.28Å; L143-V169 HydrophobicContact CD1-CG2 3.62Å
144G47.3Very low49.9Very low47 Ų47116.6 Ų116.649%0.48558%0.58SS.*THydrogen-bonded Turntrans-76.4-18.4174.500000113.7L141 D142L141-G144 PolarHBondContact O-N 2.88Å; D142-G144 PolarHBondContact O-N 2.91Å
145R50Low49.6Very low159 Ų159121.5 Ų121.560%0.659%0.594SS**THydrogen-bonded Turntrans-94.5-28.6-171.7-130.4-166.2-52-102.3-0.3113.8D142 L143D142-R145 PolarHBondContact O-N 3.32Å; D142-R145 IonicContact OD1-NE 3.97Å; D142-R145 IonicContact OD1-NH2 3.59Å; D142-R145 PolarHBondContact OD1-NH2 3.38Å; L143-R145 VanDerWaalsContact C-N 3.32Å
146H46Very low49.3Very low186 Ų186120 Ų12086%0.86159%0.585SS**SBendtrans-89.2-8.4-178.2-131.843.4000113.8D142D142-H146 PolarHBondContact O-N 2.99Å
147E47.1Very low48.8Very low51 Ų51115.5 Ų115.524%0.23857%0.57CS.*  trans-109.838.4-178.4-63.4-174.6177.700112H149 L150 Q172 K176E147-H149 PolarHBondContact O-N 3.16Å; E147-L150 PolarHBondContact O-N 3.07Å; E147-Q172 PolarHBondContact OE1-NE2 2.96Å; E147-Q172 PolarHBondContact OE1-OE1 3.12Å; E147-Q172 PolarHBondContact OE2-NE2 2.85Å; E147-K176 IonicContact OE1-NZ 3.24Å; E147-K176 PolarHBondContact OE1-NZ 3.05Å
148Q41.9Very low48.4Very low174 Ų174115.9 Ų115.981%0.81358%0.576SS**THydrogen-bonded Turntrans-64.816.1171.3-68.9-169.2-36.900114.2
149H41.7Very low48.3Very low180 Ų180112.3 Ų112.383%0.83358%0.575SS**THydrogen-bonded Turntrans-123.613.5179.5-136-66.2000114.2E147E147-H149 PolarHBondContact O-N 3.16Å
150L40.6Very low48.3Very low117 Ų117106.7 Ų106.761%0.61358%0.575SS**  trans-121.6103.6168-67.1174.5000109.5E147 G152E147-L150 PolarHBondContact O-N 3.07Å; L150-G152 PolarHBondContact O-N 3.11Å
151D49.6Very low48.7Very low190 Ų190109.6 Ų109.6100%1.01658%0.584SS**THydrogen-bonded Turntrans-54.96.6-178.5-90.7-26.2000116.4
152G47.8Very low49.4Very low55 Ų55111.1 Ų111.157%0.56759%0.592SS**THydrogen-bonded Turntrans-105.1-9.3-175.600000116.4L150L150-G152 PolarHBondContact O-N 3.11Å
153L43.7Very low50.4Low55 Ų55113.6 Ų113.629%0.28861%0.605SS.*  trans-118.27.4-159.2-108.1102.1000118.8Q155 Y168L153-Q155 PolarHBondContact O-N 2.97Å; L153-Y168 HydrophobicContact CD1-CE1 4.49Å; L153-Y168 HydrophobicContact CD1-CE2 3.98Å; L153-Y168 VanDerWaalsContact CD1-OH 3.23Å; L153-Y168 WeakPolarHBondContact CD1-OH 3.34Å; L153-Y168 HydrophobicContact CD2-CD1 3.77Å; L153-Y168 HydrophobicContact CD2-CD2 4.48Å; L153-Y168 HydrophobicContact CD2-CE1 3.11Å; L153-Y168 HydrophobicContact CD2-CE2 3.94Å; L153-Y168 HydrophobicContact CD2-CG 4.4Å; L153-Y168 WeakPolarHBondContact CD2-OH 3.34Å; L153-Y168 HydrophobicContact CG-CE1 4.36Å; L153-Y168 HydrophobicContact CG-CE2 4.5Å
154Q47.3Very low51.6Low164 Ų164115.8 Ų115.877%0.76661%0.614SS**THydrogen-bonded Turntrans-71.6-9.8169.7-164.4142.625.600113.1
155Q44.5Very low52.7Low154 Ų154114.7 Ų114.772%0.7260%0.596SS**Hα-helixtrans-81.8-27.4-172.1-150165.236.600114.1L153 S159L153-Q155 PolarHBondContact O-N 2.97Å; Q155-S159 PolarHBondContact O-N 2.83Å
156C45.5Very low53.9Low38 Ų38114.6 Ų114.626%0.25760%0.596SS.*Hα-helixtrans-80.7-29.5-174.8-460000113.3N158C156-N158 VanDerWaalsContact C-N 3.34Å
157V49.9Very low55.5Low91 Ų91113 Ų11355%0.55259%0.587SS**Hα-helixtrans-75.1-29-177.1-160.90000111
158N49.3Very low57.1Low124 Ų124113.8 Ų113.866%0.66359%0.588SS**Hα-helixtrans-94.4-22.9-175.1-66-14.1000114.3C156C156-N158 VanDerWaalsContact C-N 3.34Å
159S52.7Low58.9Low81 Ų81105.7 Ų105.757%0.56655%0.55SS**SBendtrans-96.120.7-172.9-73.70000116Q155 R161Q155-S159 PolarHBondContact O-N 2.83Å; S159-R161 PolarHBondContact O-N 2.79Å
160G52.8Low60.7Low68 Ų68102.8 Ų102.870%0.70154%0.537SS*.SBendtrans67.87.817100000115.5L162G160-L162 VanDerWaalsContact C-N 3.28Å; G160-L162 PolarHBondContact O-N 2.88Å; G160-L162 VanDerWaalsContact O-N 3.1Å
161R63.6Low62.9Low146 Ų146100 Ų10055%0.55153%0.528SS*.  trans-88.858.4178.9-60.8-166.2-177.3-177.24.9111.9S159 N163 E164 H165S159-R161 PolarHBondContact O-N 2.79Å; R161-N163 PolarHBondContact O-N 2.83Å; R161-N163 VanDerWaalsContact O-N 3.09Å; R161-E164 HydrophobicContact CB-CB 4.09Å; R161-E164 HydrophobicContact CB-CG 4.09Å; R161-E164 VanDerWaalsContact CD-OE1 3.28Å; R161-E164 WeakPolarHBondContact CD-OE1 3.33Å; R161-E164 WeakPolarHBondContact CD-OE2 3.38Å; R161-E164 IonicContact CZ-OE1 3.68Å; R161-E164 IonicContact NE-OE1 3.87Å; R161-E164 IonicContact NE-OE2 3.97Å; R161-E164 IonicContact NH1-OE1 2.79Å; R161-E164 PolarHBondContact NH1-OE1 2.93Å; R161-E164 IonicContact NH1-OE2 3.37Å; R161-E164 PolarHBondContact NH1-OE2 3.49Å; R161-E164 PolarHBondContact O-N 3.25Å; R161-H165 PolarHBondContact O-N 3.32Å; R161-H165 VanDerWaalsContact O-N 3.15Å
162L69Low64.5Low139 Ų13992.1 Ų92.173%0.72848%0.484SS*.Hα-helixtrans-52.6-34.2-180-68.7175000113.2G160 H165 R166G160-L162 VanDerWaalsContact C-N 3.28Å; G160-L162 PolarHBondContact O-N 2.88Å; G160-L162 VanDerWaalsContact O-N 3.1Å; L162-H165 PolarHBondContact O-N 3.41Å; L162-R166 WeakPolarHBondContact O-CB 3.49Å; L162-R166 PolarHBondContact O-N 3.21Å
163N75.6Confident66.2Low123 Ų12395.3 Ų95.366%0.65848%0.479SS*.Hα-helixtrans-67-36.6177-76.3-19.8000113.1R161 K167R161-N163 PolarHBondContact O-N 2.83Å; R161-N163 VanDerWaalsContact O-N 3.09Å; N163-K167 WeakPolarHBondContact O-CG 3.26Å; N163-K167 PolarHBondContact O-N 3.15Å; N163-K167 VanDerWaalsContact O-N 3.16Å
164E76.6Confident68.1Low90 Ų9097.2 Ų97.242%0.42149%0.493SS..Hα-helixtrans-71.2-42.4176.3-67.2-177.7177.200110.6R161 R166 K167 Y168R161-E164 HydrophobicContact CB-CB 4.09Å; R161-E164 HydrophobicContact CB-CG 4.09Å; R161-E164 VanDerWaalsContact CD-OE1 3.28Å; R161-E164 WeakPolarHBondContact CD-OE1 3.33Å; R161-E164 WeakPolarHBondContact CD-OE2 3.38Å; R161-E164 IonicContact CZ-OE1 3.68Å; R161-E164 IonicContact NE-OE1 3.87Å; R161-E164 IonicContact NE-OE2 3.97Å; R161-E164 IonicContact NH1-OE1 2.79Å; R161-E164 PolarHBondContact NH1-OE1 2.93Å; R161-E164 IonicContact NH1-OE2 3.37Å; R161-E164 PolarHBondContact NH1-OE2 3.49Å; R161-E164 PolarHBondContact O-N 3.25Å; E164-R166 VanDerWaalsContact C-N 3.31Å; E164-R166 PolarHBondContact O-N 2.99Å; E164-K167 PolarHBondContact O-N 3.01Å; E164-K167 VanDerWaalsContact O-N 3.16Å; E164-Y168 WeakPolarHBondContact O-CB 3.27Å; E164-Y168 PolarHBondContact O-N 3.28Å
165H71.5Confident70.1Confident24 Ų2493.7 Ų93.711%0.11148%0.483CS..Hα-helixtrans-58.2-43.6174-172.560.4000111.6F140 R161 L162 K167 Y168 V169F140-H165 AromaticContact CD1-CD2 3.96Å; F140-H165 PolarHBondContact O-NE2 3.46Å; R161-H165 PolarHBondContact O-N 3.32Å; R161-H165 VanDerWaalsContact O-N 3.15Å; L162-H165 PolarHBondContact O-N 3.41Å; H165-K167 PolarHBondContact O-N 2.86Å; H165-Y168 PolarHBondContact O-N 3.27Å; H165-V169 WeakPolarHBondContact O-CB 3.45Å; H165-V169 VanDerWaalsContact O-CG2 3.32Å; H165-V169 WeakPolarHBondContact O-CG2 3.37Å; H165-V169 PolarHBondContact O-N 3.32Å
166R75.5Confident72.1Confident156 Ų15691.2 Ų91.259%0.58947%0.469SS*.Hα-helixtrans-58.8-46.2175-180178.9175.41790.5112.3F140 L162 E164 Q170F140-R166 HydrophobicContact CE1-CB 4.2Å; F140-R166 HydrophobicContact CE1-CG 4.42Å; F140-R166 HydrophobicContact CZ-CG 4.28Å; L162-R166 WeakPolarHBondContact O-CB 3.49Å; L162-R166 PolarHBondContact O-N 3.21Å; E164-R166 VanDerWaalsContact C-N 3.31Å; E164-R166 PolarHBondContact O-N 2.99Å; R166-Q170 WeakPolarHBondContact O-CB 3.45Å; R166-Q170 PolarHBondContact O-N 3.39Å
167K79.7Confident74Confident154 Ų15492.5 Ų92.567%0.6748%0.483SS*.Hα-helixtrans-63-42.7177.8-72.9177-179.6-178.10111.4N163 E164 H165 Q170 S171N163-K167 WeakPolarHBondContact O-CG 3.26Å; N163-K167 PolarHBondContact O-N 3.15Å; N163-K167 VanDerWaalsContact O-N 3.16Å; E164-K167 PolarHBondContact O-N 3.01Å; E164-K167 VanDerWaalsContact O-N 3.16Å; H165-K167 PolarHBondContact O-N 2.86Å; K167-Q170 PolarHBondContact O-N 3.14Å; K167-S171 PolarHBondContact O-N 3.4Å
168Y80.5Confident75.9Confident66 Ų6694.2 Ų94.226%0.25949%0.488SS..Hα-helixtrans-63.2-48.8177.6178.8-94.9000112.5L153 E164 H165 Q170 S171 Q172L153-Y168 HydrophobicContact CD1-CE1 4.49Å; L153-Y168 HydrophobicContact CD1-CE2 3.98Å; L153-Y168 VanDerWaalsContact CD1-OH 3.23Å; L153-Y168 WeakPolarHBondContact CD1-OH 3.34Å; L153-Y168 HydrophobicContact CD2-CD1 3.77Å; L153-Y168 HydrophobicContact CD2-CD2 4.48Å; L153-Y168 HydrophobicContact CD2-CE1 3.11Å; L153-Y168 HydrophobicContact CD2-CE2 3.94Å; L153-Y168 HydrophobicContact CD2-CG 4.4Å; L153-Y168 WeakPolarHBondContact CD2-OH 3.34Å; L153-Y168 HydrophobicContact CG-CE1 4.36Å; L153-Y168 HydrophobicContact CG-CE2 4.5Å; E164-Y168 WeakPolarHBondContact O-CB 3.27Å; E164-Y168 PolarHBondContact O-N 3.28Å; H165-Y168 PolarHBondContact O-N 3.27Å; Y168-Q170 PolarHBondContact O-N 3.21Å; Y168-S171 PolarHBondContact O-N 2.93Å; Y168-S171 PolarHBondContact O-OG 2.84Å; Y168-Q172 HydrophobicContact CD1-CG 4.24Å; Y168-Q172 VanDerWaalsContact CE1-CD 3.44Å; Y168-Q172 HydrophobicContact CE1-CG 3.7Å; Y168-Q172 HydrophobicContact CE2-CG 4.41Å; Y168-Q172 PolarHBondContact O-N 3.16Å; Y168-Q172 PolarHBondContact OH-NE2 3.03Å
169V79.4Confident77.9Confident4 Ų493.8 Ų93.82%0.02448%0.482CS..Hα-helixtrans-59-39.8175.9163.40000110.9L143 H165 R173L143-V169 HydrophobicContact CD1-CB 3.98Å; L143-V169 HydrophobicContact CD1-CG1 3.28Å; L143-V169 HydrophobicContact CD1-CG2 3.62Å; H165-V169 WeakPolarHBondContact O-CB 3.45Å; H165-V169 VanDerWaalsContact O-CG2 3.32Å; H165-V169 WeakPolarHBondContact O-CG2 3.37Å; H165-V169 PolarHBondContact O-N 3.32Å; V169-R173 VanDerWaalsContact O-CG 3.26Å; V169-R173 WeakPolarHBondContact O-CG 3.45Å; V169-R173 PolarHBondContact O-N 3.42Å; V169-R173 VanDerWaalsContact O-N 3.1Å
170Q80.4Confident79.7Confident119 Ų11991.7 Ų91.756%0.55647%0.474SS*.Hα-helixtrans-67.5-42.9177-172.2169.7-400112.1R166 K167 Y168 R173 V174R166-Q170 WeakPolarHBondContact O-CB 3.45Å; R166-Q170 PolarHBondContact O-N 3.39Å; K167-Q170 PolarHBondContact O-N 3.14Å; Y168-Q170 PolarHBondContact O-N 3.21Å; Q170-R173 PolarHBondContact O-N 3.36Å; Q170-V174 WeakPolarHBondContact O-CG2 3.45Å; Q170-V174 PolarHBondContact O-N 3.17Å
171S85.4Confident81.3Confident60 Ų6091.3 Ų91.342%0.4246%0.464SS..Hα-helixtrans-65-41.9177.1680000111.9K167 Y168 R173 V174 V175K167-S171 PolarHBondContact O-N 3.4Å; Y168-S171 PolarHBondContact O-N 2.93Å; Y168-S171 PolarHBondContact O-OG 2.84Å; S171-R173 VanDerWaalsContact C-N 3.34Å; S171-R173 PolarHBondContact O-N 2.88Å; S171-V174 WeakPolarHBondContact O-CB 3.5Å; S171-V174 PolarHBondContact O-N 3.21Å; S171-V175 WeakPolarHBondContact O-CG2 3.48Å; S171-V175 PolarHBondContact O-N 3.03Å
172Q84.4Confident82.6Confident23 Ų2386.7 Ų86.711%0.10746%0.457CS..Hα-helixtrans-59.5-41.8173.8-79.9-155.4-4.800113E147 Y168 V174 V175 K176E147-Q172 PolarHBondContact OE1-NE2 2.96Å; E147-Q172 PolarHBondContact OE1-OE1 3.12Å; E147-Q172 PolarHBondContact OE2-NE2 2.85Å; Y168-Q172 HydrophobicContact CD1-CG 4.24Å; Y168-Q172 VanDerWaalsContact CE1-CD 3.44Å; Y168-Q172 HydrophobicContact CE1-CG 3.7Å; Y168-Q172 HydrophobicContact CE2-CG 4.41Å; Y168-Q172 PolarHBondContact O-N 3.16Å; Y168-Q172 PolarHBondContact OH-NE2 3.03Å; Q172-V174 VanDerWaalsContact C-N 3.27Å; Q172-V174 PolarHBondContact O-N 3.44Å; Q172-V175 PolarHBondContact O-N 3.31Å; Q172-K176 WeakPolarHBondContact O-CB 3.27Å; Q172-K176 WeakPolarHBondContact O-CG 3.32Å; Q172-K176 PolarHBondContact O-N 3.48Å
173R81.9Confident83.7Confident123 Ų12384.3 Ų84.346%0.46445%0.445SS..Hα-helixtrans-60.6-40.2177.5-75.7172.4-173.5-172.25.4111.4V169 Q170 S171 A177V169-R173 VanDerWaalsContact O-CG 3.26Å; V169-R173 WeakPolarHBondContact O-CG 3.45Å; V169-R173 PolarHBondContact O-N 3.42Å; V169-R173 VanDerWaalsContact O-N 3.1Å; Q170-R173 PolarHBondContact O-N 3.36Å; S171-R173 VanDerWaalsContact C-N 3.34Å; S171-R173 PolarHBondContact O-N 2.88Å; R173-A177 VanDerWaalsContact O-CB 3.27Å; R173-A177 WeakPolarHBondContact O-CB 3.36Å; R173-A177 PolarHBondContact O-N 2.79Å
174V84.9Confident84.2Confident95 Ų9582.6 Ų82.658%0.57644%0.441SS*.Hα-helixtrans-63.9-45.6175.9175.30000110.5Q170 S171 Q172 A177 L178Q170-V174 WeakPolarHBondContact O-CG2 3.45Å; Q170-V174 PolarHBondContact O-N 3.17Å; S171-V174 WeakPolarHBondContact O-CB 3.5Å; S171-V174 PolarHBondContact O-N 3.21Å; Q172-V174 VanDerWaalsContact C-N 3.27Å; Q172-V174 PolarHBondContact O-N 3.44Å; V174-A177 PolarHBondContact O-N 2.91Å; V174-L178 WeakPolarHBondContact O-CB 3.41Å; V174-L178 PolarHBondContact O-N 2.97Å
175V88.9Confident84.9Confident90 Ų9087.3 Ų87.355%0.54546%0.455SS..Hα-helixtrans-61.5-48.2177.6173.70000111.6S171 Q172 A177 L178 Q179S171-V175 WeakPolarHBondContact O-CG2 3.48Å; S171-V175 PolarHBondContact O-N 3.03Å; Q172-V175 PolarHBondContact O-N 3.31Å; V175-A177 VanDerWaalsContact C-N 3.34Å; V175-A177 PolarHBondContact O-N 3.15Å; V175-L178 WeakPolarHBondContact O-CB 3.28Å; V175-L178 PolarHBondContact O-N 3.26Å; V175-Q179 PolarHBondContact O-N 2.98Å
176K86.5Confident85.7Confident101 Ų10189.6 Ų89.644%0.43947%0.471SS..Hα-helixtrans-62.6-39.5178.2-73.6174.9178.5163.20111.9E147 Q172 G180E147-K176 IonicContact OE1-NZ 3.24Å; E147-K176 PolarHBondContact OE1-NZ 3.05Å; Q172-K176 WeakPolarHBondContact O-CB 3.27Å; Q172-K176 WeakPolarHBondContact O-CG 3.32Å; Q172-K176 PolarHBondContact O-N 3.48Å; K176-G180 PolarHBondContact O-N 3.08Å
177A84.8Confident86.3Confident66 Ų6689.7 Ų89.755%0.54548%0.476SS..Hα-helixtrans-66.3-40.8175.200000112.2R173 V174 V175 G180 A181R173-A177 VanDerWaalsContact O-CB 3.27Å; R173-A177 WeakPolarHBondContact O-CB 3.36Å; R173-A177 PolarHBondContact O-N 2.79Å; V174-A177 PolarHBondContact O-N 2.91Å; V175-A177 VanDerWaalsContact C-N 3.34Å; V175-A177 PolarHBondContact O-N 3.15Å; A177-G180 PolarHBondContact O-N 3.11Å; A177-A181 WeakPolarHBondContact O-CB 3.42Å; A177-A181 PolarHBondContact O-N 3.35Å
178L90.6Very high86.7Confident126 Ų12690 Ų9066%0.6648%0.477SS*.Hα-helixtrans-62.9-44.9176.1-176.866.7000111.3V174 V175 A181 A182V174-L178 WeakPolarHBondContact O-CB 3.41Å; V174-L178 PolarHBondContact O-N 2.97Å; V175-L178 WeakPolarHBondContact O-CB 3.28Å; V175-L178 PolarHBondContact O-N 3.26Å; L178-A181 PolarHBondContact O-N 3.49Å; L178-A182 PolarHBondContact O-N 3.2Å
179Q91.7Very high86.8Confident115 Ų11591.8 Ų91.854%0.53749%0.49SS..Hα-helixtrans-60.7-48.9175.1-174.9177.4-2.500111.1V175 A181 A182 D183V175-Q179 PolarHBondContact O-N 2.98Å; Q179-A181 VanDerWaalsContact C-N 3.28Å; Q179-A181 PolarHBondContact O-N 2.92Å; Q179-A182 WeakPolarHBondContact O-CB 3.47Å; Q179-A182 PolarHBondContact O-N 3.49Å; Q179-A182 VanDerWaalsContact O-N 3.09Å; Q179-D183 PolarHBondContact O-N 3.35Å
180G89.1Confident87Confident38 Ų3896.9 Ų96.939%0.39252%0.515SS..Hα-helixtrans-61.8-32.8177.300000113.8K176 A177 C184K176-G180 PolarHBondContact O-N 3.08Å; A177-G180 PolarHBondContact O-N 3.11Å; G180-C184 WeakPolarHBondContact O-CB 3.43Å; G180-C184 PolarHBondContact O-N 3.32Å
181A86.8Confident87Confident59 Ų5997.4 Ų97.449%0.48852%0.516SS..Hα-helixtrans-70.1-40.4173.200000112.1A177 L178 Q179 C184 R185A177-A181 WeakPolarHBondContact O-CB 3.42Å; A177-A181 PolarHBondContact O-N 3.35Å; L178-A181 PolarHBondContact O-N 3.49Å; Q179-A181 VanDerWaalsContact C-N 3.28Å; Q179-A181 PolarHBondContact O-N 2.92Å; A181-C184 PolarHBondContact O-N 2.94Å; A181-R185 PolarHBondContact O-N 3.25Å
182A91.1Very high86.7Confident49 Ų4998.3 Ų98.341%0.40552%0.522SS..Hα-helixtrans-63.5-45.7173.800000111.2L178 Q179 C184 R185 V186L178-A182 PolarHBondContact O-N 3.2Å; Q179-A182 WeakPolarHBondContact O-CB 3.47Å; Q179-A182 PolarHBondContact O-N 3.49Å; Q179-A182 VanDerWaalsContact O-N 3.09Å; A182-C184 VanDerWaalsContact C-N 3.32Å; A182-C184 PolarHBondContact O-N 3.34Å; A182-R185 CarbonylContact O-C 3.59Å; A182-R185 WeakPolarHBondContact O-CA 3.23Å; A182-R185 WeakPolarHBondContact O-CB 3.05Å; A182-R185 PolarHBondContact O-N 3.19Å; A182-V186 WeakPolarHBondContact O-CG2 3.42Å; A182-V186 PolarHBondContact O-N 3.21Å
183D92.2Very high86.4Confident90 Ų90102.7 Ų102.748%0.48155%0.55SS..Hα-helixtrans-60.1-41.8176.3-66.9-18.8000111.3Q179 R185 V186 K187Q179-D183 PolarHBondContact O-N 3.35Å; D183-R185 VanDerWaalsContact C-N 3.32Å; D183-R185 PolarHBondContact O-N 3.06Å; D183-V186 PolarHBondContact O-N 3.3Å; D183-K187 VanDerWaalsContact O-CB 3.29Å; D183-K187 WeakPolarHBondContact O-CB 3.25Å; D183-K187 PolarHBondContact O-N 2.98Å
184C87Confident85.5Confident86 Ų86102.9 Ų102.958%0.58156%0.56SS**Hα-helixtrans-62.2-40.6174.5-173.90000111.6G180 A181 A182 K187 K188G180-C184 WeakPolarHBondContact O-CB 3.43Å; G180-C184 PolarHBondContact O-N 3.32Å; A181-C184 PolarHBondContact O-N 2.94Å; A182-C184 VanDerWaalsContact C-N 3.32Å; A182-C184 PolarHBondContact O-N 3.34Å; C184-K187 PolarHBondContact O-N 2.78Å; C184-K188 WeakPolarHBondContact O-CB 3.34Å; C184-K188 PolarHBondContact O-N 2.99Å
185R89.8Confident84.2Confident189 Ų189106.2 Ų106.271%0.71356%0.564SS**Hα-helixtrans-65.6-44.4176.3-174163.9118139.7-1.6111.7A181 A182 D183 K188 L189A181-R185 PolarHBondContact O-N 3.25Å; A182-R185 CarbonylContact O-C 3.59Å; A182-R185 WeakPolarHBondContact O-CA 3.23Å; A182-R185 WeakPolarHBondContact O-CB 3.05Å; A182-R185 PolarHBondContact O-N 3.19Å; D183-R185 VanDerWaalsContact C-N 3.32Å; D183-R185 PolarHBondContact O-N 3.06Å; R185-K188 PolarHBondContact O-N 3.19Å; R185-L189 WeakPolarHBondContact O-CG 3.11Å; R185-L189 PolarHBondContact O-N 2.99Å
186V89.1Confident82Confident72 Ų72108.9 Ų108.944%0.43658%0.575SS.*Hα-helixtrans-60.9-47.4174.4172.60000110.6A182 D183 K188 L189 M190A182-V186 WeakPolarHBondContact O-CG2 3.42Å; A182-V186 PolarHBondContact O-N 3.21Å; D183-V186 PolarHBondContact O-N 3.3Å; V186-K188 VanDerWaalsContact C-N 3.3Å; V186-K188 PolarHBondContact O-N 3.05Å; V186-L189 PolarHBondContact O-N 3.44Å; V186-L189 VanDerWaalsContact O-N 3.14Å; V186-M190 HydrophobicContact CG1-CE 3.9Å; V186-M190 HydrophobicContact CG1-CG 4.22Å; V186-M190 HydrophobicContact CG1-SD 3.91Å; V186-M190 WeakPolarHBondContact O-CB 3.08Å; V186-M190 WeakPolarHBondContact O-CG 3.46Å; V186-M190 PolarHBondContact O-N 3.48Å
187K88.5Confident80Confident159 Ų159111.7 Ų111.769%0.69160%0.595SS**Hα-helixtrans-60.6-37.8177.8-170.7172.2-167.9170.70112.5D183 C184 K191D183-K187 VanDerWaalsContact O-CB 3.29Å; D183-K187 WeakPolarHBondContact O-CB 3.25Å; D183-K187 PolarHBondContact O-N 2.98Å; C184-K187 PolarHBondContact O-N 2.78Å; K187-K191 VanDerWaalsContact O-CB 3.27Å; K187-K191 WeakPolarHBondContact O-CB 3.5Å; K187-K191 PolarHBondContact O-N 3.5Å
188K86.8Confident77.8Confident161 Ų161115.5 Ų115.570%0.761%0.606SS**Hα-helixtrans-66.5-40.5175.8-162.9175.5-167.1177.80111.8C184 R185 V186 K191 S192C184-K188 WeakPolarHBondContact O-CB 3.34Å; C184-K188 PolarHBondContact O-N 2.99Å; R185-K188 PolarHBondContact O-N 3.19Å; V186-K188 VanDerWaalsContact C-N 3.3Å; V186-K188 PolarHBondContact O-N 3.05Å; K188-K191 PolarHBondContact O-N 3.33Å; K188-S192 PolarHBondContact O-N 3.17Å; K188-S192 VanDerWaalsContact O-N 3.11Å; K188-S192 PolarHBondContact O-OG 2.71Å
189L83.7Confident75.1Confident102 Ų102117.3 Ų117.353%0.53462%0.616SS.*Hα-helixtrans-68-46.6175.4-70.8171.4000111.9R185 V186 K191 S192 V193R185-L189 WeakPolarHBondContact O-CG 3.11Å; R185-L189 PolarHBondContact O-N 2.99Å; V186-L189 PolarHBondContact O-N 3.44Å; V186-L189 VanDerWaalsContact O-N 3.14Å; L189-K191 VanDerWaalsContact C-N 3.26Å; L189-K191 PolarHBondContact O-N 2.94Å; L189-S192 WeakPolarHBondContact CA-OG 3.27Å; L189-S192 PolarHBondContact O-N 3.36Å; L189-S192 VanDerWaalsContact O-N 3.08Å; L189-S192 PolarHBondContact O-OG 2.81Å; L189-V193 WeakPolarHBondContact O-CG2 3.35Å; L189-V193 PolarHBondContact O-N 3.04Å
190M82.9Confident72.7Confident112 Ų112117.1 Ų117.155%0.55263%0.628SS**Hα-helixtrans-59.5-38.9174.8-73.3-178.8163.300111.6V186 S192 V193 N194V186-M190 HydrophobicContact CG1-CE 3.9Å; V186-M190 HydrophobicContact CG1-CG 4.22Å; V186-M190 HydrophobicContact CG1-SD 3.91Å; V186-M190 WeakPolarHBondContact O-CB 3.08Å; V186-M190 WeakPolarHBondContact O-CG 3.46Å; V186-M190 PolarHBondContact O-N 3.48Å; M190-S192 VanDerWaalsContact C-N 3.34Å; M190-S192 PolarHBondContact O-N 3.36Å; M190-V193 PolarHBondContact O-N 3.14Å; M190-N194 WeakPolarHBondContact O-CB 3.03Å; M190-N194 PolarHBondContact O-N 2.82Å; M190-N194 PolarHBondContact O-ND2 3.22Å
191K79.8Confident70.2Confident130 Ų130124 Ų12457%0.56565%0.65SS**Hα-helixtrans-64.6-37.3175.2-172.6171.7-177.4179.50111.9K187 K188 L189 Y195K187-K191 VanDerWaalsContact O-CB 3.27Å; K187-K191 WeakPolarHBondContact O-CB 3.5Å; K187-K191 PolarHBondContact O-N 3.5Å; K188-K191 PolarHBondContact O-N 3.33Å; L189-K191 VanDerWaalsContact C-N 3.26Å; L189-K191 PolarHBondContact O-N 2.94Å; K191-Y195 HydrophobicContact CD-CE2 4.43Å; K191-Y195 VanDerWaalsContact CE-OH 3.23Å; K191-Y195 WeakPolarHBondContact CE-OH 3.29Å; K191-Y195 HydrophobicContact CG-CD2 4.47Å; K191-Y195 HydrophobicContact CG-CE2 3.81Å; K191-Y195 WeakPolarHBondContact O-CD2 3.41Å
192S79.4Confident67.9Low78 Ų78132.6 Ų132.655%0.54567%0.669SS.*Hα-helixtrans-72.3-26.8174.4500000113.9K188 L189 M190K188-S192 PolarHBondContact O-N 3.17Å; K188-S192 VanDerWaalsContact O-N 3.11Å; K188-S192 PolarHBondContact O-OG 2.71Å; L189-S192 WeakPolarHBondContact CA-OG 3.27Å; L189-S192 PolarHBondContact O-N 3.36Å; L189-S192 VanDerWaalsContact O-N 3.08Å; L189-S192 PolarHBondContact O-OG 2.81Å; M190-S192 VanDerWaalsContact C-N 3.34Å; M190-S192 PolarHBondContact O-N 3.36Å
193V78.2Confident65.3Low115 Ų115136.9 Ų136.970%0.69769%0.685SS**Hα-helixtrans-80.6-32.7178.2175.30000111.9L189 M190L189-V193 WeakPolarHBondContact O-CG2 3.35Å; L189-V193 PolarHBondContact O-N 3.04Å; M190-V193 PolarHBondContact O-N 3.14Å
194N63.3Low62.8Low127 Ų127138.3 Ų138.368%0.67970%0.701SS**SBendtrans-94.521.6-177.7-65.4-41000114.3M190 D196M190-N194 WeakPolarHBondContact O-CB 3.03Å; M190-N194 PolarHBondContact O-N 2.82Å; M190-N194 PolarHBondContact O-ND2 3.22Å; N194-D196 PolarHBondContact O-N 3.45Å
195Y57.4Low60.5Low165 Ų165141.7 Ų141.765%0.64771%0.714SS**  trans-86.799163-89.1-75.3000108.1K191K191-Y195 HydrophobicContact CD-CE2 4.43Å; K191-Y195 VanDerWaalsContact CE-OH 3.23Å; K191-Y195 WeakPolarHBondContact CE-OH 3.29Å; K191-Y195 HydrophobicContact CG-CD2 4.47Å; K191-Y195 HydrophobicContact CG-CE2 3.81Å; K191-Y195 WeakPolarHBondContact O-CD2 3.41Å
196D44.2Very low58Low147 Ų147141 Ų14179%0.78672%0.716SS**  trans-56.4131.1160.3-85-41.4000109.2N194 N198N194-D196 PolarHBondContact O-N 3.45Å; D196-N198 PolarHBondContact O-N 3.01Å
197D43.3Very low55.6Low159 Ų159145.7 Ų145.785%0.8574%0.738SS**SBendtrans-48.291170.9-87.8-45.3000111.5
198N38.1Very low53.2Low147 Ų147144.2 Ų144.279%0.78674%0.736SS**  trans-155.556.5160.1-74.9-60.2000110D196D196-N198 PolarHBondContact O-N 3.01Å
199D34.6Very low50.8Low164 Ų164141.9 Ų141.988%0.87774%0.737SS**  trans-162.478.7144.6-123.5-8.5000108.5Q201D199-Q201 PolarHBondContact O-N 3.46Å
200S40.4Very low48.6Very low111 Ų111146.2 Ų146.278%0.77675%0.752SS**  trans-58131.3161.82.90000108.1
201Q37.9Very low46.3Very low183 Ų183152.3 Ų152.386%0.85577%0.769SS**  trans89.180164.6-156.3169.3-14.700116.9D199D199-Q201 PolarHBondContact O-N 3.46Å
202R37.2Very low44.4Very low238 Ų238153.7 Ų153.790%0.89878%0.782SS**SBendtrans-156.195.6135.9-108.4168.2-164.7-159.74.3112
203D36.7Very low42.5Very low139 Ų139155.1 Ų155.174%0.74379%0.791SS**  trans5288.6143.5-56-31000118.2N205D203-N205 VanDerWaalsContact C-N 3.29Å; D203-N205 PolarHBondContact O-N 3.06Å
204C40.9Very low41.1Very low121 Ų121156 Ų15682%0.81880%0.797SS**SBendtrans-56.686150.350.30000110.6
205N38.9Very low40.1Very low156 Ų156154.5 Ų154.583%0.83480%0.796SS**  trans-171.425.8155-91.6-18.9000115.4D203D203-N205 VanDerWaalsContact C-N 3.29Å; D203-N205 PolarHBondContact O-N 3.06Å
206K35.7Very low39.3Very low174 Ų174155.8 Ų155.876%0.75781%0.805SS**  trans-115.270.1164.1-83.6179.8179.1175.20111.3I208K206-I208 PolarHBondContact O-N 3.36Å
207L38.9Very low39.1Very low172 Ų172157.7 Ų157.790%0.90181%0.806SS**  trans-76.616.5157.5-79.9163.2000112.4P209L207-P209 WeakPolarHBondContact O-CD 3.33Å
208I37.7Very low38.9Very low128 Ų128157 Ų15766%0.65680%0.803SS**SBendtrans-78.6114.9161.8-56.7175.8000105.5K206 K210K206-I208 PolarHBondContact O-N 3.36Å; I208-K210 PolarHBondContact O-N 2.84Å
209P37.9Very low39Very low112 Ų112156.3 Ų156.373%0.72780%0.804SS**  trans-57.2109.7175.922.6-30.3000107.5L207 R211L207-P209 WeakPolarHBondContact O-CD 3.33Å; P209-R211 PolarHBondContact O-N 3.4Å
210K37.8Very low39.1Very low193 Ų193154.5 Ų154.584%0.83979%0.794SS**  trans-52.1108.2166.9-83.8-179.6175.9175.20105.5I208 L212I208-K210 PolarHBondContact O-N 2.84Å; K210-L212 PolarHBondContact O-N 3.43Å; K210-L212 VanDerWaalsContact O-N 3.16Å
211R34.7Very low39.4Very low239 Ų239155.6 Ų155.690%0.90279%0.79SS**  trans-46.2126.1173.1-75.4-176.9176168.7-0.9106.7P209 S213P209-R211 PolarHBondContact O-N 3.4Å; R211-S213 PolarHBondContact O-N 2.99Å
212L39.6Very low40Very low160 Ų160155 Ų15584%0.83879%0.793SS**  trans-27.7104.1-177.7-65.2154.6000110.7K210 V214K210-L212 PolarHBondContact O-N 3.43Å; K210-L212 VanDerWaalsContact O-N 3.16Å; L212-V214 VanDerWaalsContact C-N 3.33Å; L212-V214 PolarHBondContact O-N 2.82Å
213S39.9Very low40.7Very low107 Ų107146.8 Ų146.875%0.74877%0.769SS**  trans-59.3105.5164530000105.7R211 S215R211-S213 PolarHBondContact O-N 2.99Å; S213-S215 PolarHBondContact O-N 3.3Å
214V48Very low41.5Very low134 Ų134144.4 Ų144.481%0.81276%0.761SS**  trans-59.7102.8177.2176.50000106.2L212 K216L212-V214 VanDerWaalsContact C-N 3.33Å; L212-V214 PolarHBondContact O-N 2.82Å; V214-K216 VanDerWaalsContact C-N 3.34Å; V214-K216 PolarHBondContact O-N 3.28Å
215S42.5Very low42.3Very low96 Ų96144.3 Ų144.367%0.67176%0.757SS**  trans-60.2103.3171-74.10000107.9S213 K217S213-S215 PolarHBondContact O-N 3.3Å; S215-K217 PolarHBondContact O-N 2.93Å; S215-K217 VanDerWaalsContact O-N 3.16Å
216K40.7Very low43.4Very low192 Ų192144 Ų14484%0.83575%0.745SS**  trans-4.7101.5149-86.7160.9162.9143.70112.4V214V214-K216 VanDerWaalsContact C-N 3.34Å; V214-K216 PolarHBondContact O-N 3.28Å
217K39.7Very low45Very low186 Ų186139.5 Ų139.581%0.80973%0.732SS**  trans-121.397.1157.1-59.6-173.6-174.6-178.90105.9S215 T219S215-K217 PolarHBondContact O-N 2.93Å; S215-K217 VanDerWaalsContact O-N 3.16Å; K217-T219 PolarHBondContact O-N 3.41Å
218N39.2Very low47Very low146 Ų146136.9 Ų136.978%0.78172%0.719SS**  trans-894.5161.3-52.2-10.3000113.2
219T39.4Very low49.2Very low131 Ų131137.8 Ų137.880%0.80472%0.715SS**  trans-114.7105.4146.950.80000105.4K217 I221K217-T219 PolarHBondContact O-N 3.41Å; T219-I221 PolarHBondContact O-N 2.94Å
220D37Very low51.7Low127 Ų127136.3 Ų136.368%0.67970%0.7SS**  trans-50.7120.5169.8-51.6-61.3000109.5
221I47.5Very low54.1Low133 Ų133130.4 Ų130.468%0.68268%0.683SS**SBendtrans170.583.1137.549.6164.2000108.2T219 T223T219-I221 PolarHBondContact O-N 2.94Å; I221-T223 VanDerWaalsContact C-N 3.25Å; I221-T223 WeakPolarHBondContact O-CB 3.4Å; I221-T223 WeakPolarHBondContact O-CG2 3.42Å; I221-T223 PolarHBondContact O-N 3.09Å; I221-T223 PolarHBondContact O-OG1 2.74Å
222N49.8Very low56.7Low171 Ų171126.8 Ų126.891%0.91467%0.669SS**SBendtrans35.634.8153.7-63.9-34.3000120
223T52.9Low59.2Low66 Ų66120.7 Ų120.741%0.40564%0.639SS.*  trans-134.312.7-177.853.10000116.8I221 V225 Y226 V227I221-T223 VanDerWaalsContact C-N 3.25Å; I221-T223 WeakPolarHBondContact O-CB 3.4Å; I221-T223 WeakPolarHBondContact O-CG2 3.42Å; I221-T223 PolarHBondContact O-N 3.09Å; I221-T223 PolarHBondContact O-OG1 2.74Å; T223-V225 PolarHBondContact O-N 3.03Å; T223-Y226 PolarHBondContact O-N 3.36Å; T223-Y226 VanDerWaalsContact O-N 3.17Å; T223-V227 VanDerWaalsContact O-CG2 3.22Å; T223-V227 WeakPolarHBondContact O-CG2 3.34Å; T223-V227 PolarHBondContact O-N 3.26Å; T223-V227 VanDerWaalsContact O-N 3.13Å
224P53Low61.8Low88 Ų88117.6 Ų117.657%0.57162%0.62SS**Hα-helixtrans-62.6-35176.326.7-32.2000111.7D228P224-D228 WeakPolarHBondContact O-CB 3.41Å; P224-D228 PolarHBondContact O-N 3.3Å
225V57Low64Low120 Ų120115.8 Ų115.873%0.72760%0.602SS**Hα-helixtrans-68.3-36177.8-175.80000111.6T223 Y229T223-V225 PolarHBondContact O-N 3.03Å; V225-Y229 WeakPolarHBondContact O-CB 3.4Å; V225-Y229 PolarHBondContact O-N 3.33Å
226Y61.5Low66.4Low150 Ų150113.8 Ų113.859%0.58858%0.582SS**Hα-helixtrans-74-42.1-177.4-172.6-110.6000112.3T223 Y229 I230T223-Y226 PolarHBondContact O-N 3.36Å; T223-Y226 VanDerWaalsContact O-N 3.17Å; Y226-Y229 PolarHBondContact O-N 2.97Å; Y226-I230 HydrophobicContact CD1-CD1 3.55Å; Y226-I230 HydrophobicContact CD1-CG1 4.42Å; Y226-I230 HydrophobicContact CE1-CD1 3.16Å; Y226-I230 HydrophobicContact CE1-CG1 4.13Å; Y226-I230 HydrophobicContact CE2-CD1 4.3Å; Y226-I230 HydrophobicContact CE2-CG1 4.45Å; Y226-I230 HydrophobicContact CG-CD1 4.28Å; Y226-I230 WeakPolarHBondContact O-CG1 3.38Å; Y226-I230 PolarHBondContact O-N 3.27Å
227V71Confident69Low79 Ų79110.1 Ų110.148%0.47957%0.568SS.*Hα-helixtrans-68.5-39.5179.4-165.70000110.2T223 I230 S231T223-V227 VanDerWaalsContact O-CG2 3.22Å; T223-V227 WeakPolarHBondContact O-CG2 3.34Å; T223-V227 PolarHBondContact O-N 3.26Å; T223-V227 VanDerWaalsContact O-N 3.13Å; V227-I230 PolarHBondContact O-N 3.46Å; V227-S231 WeakPolarHBondContact O-CB 3.41Å; V227-S231 PolarHBondContact O-N 2.99Å; V227-S231 PolarHBondContact O-OG 3.38Å
228D80.2Confident71.6Confident116 Ų116105 Ų10562%0.6255%0.549SS*.Hα-helixtrans-66.1-40.6173.7-78.8-8.8000111.4P224 S231 R232P224-D228 WeakPolarHBondContact O-CB 3.41Å; P224-D228 PolarHBondContact O-N 3.3Å; D228-S231 PolarHBondContact O-N 3.19Å; D228-R232 VanDerWaalsContact O-CB 3.23Å; D228-R232 WeakPolarHBondContact O-CB 3.33Å; D228-R232 PolarHBondContact O-N 3.14Å
229Y85.1Confident74.2Confident147 Ų147102.2 Ų102.258%0.57653%0.531SS*.Hα-helixtrans-63.7-44.3175.6178.9-98000112.2V225 Y226 S231 R232 T233V225-Y229 WeakPolarHBondContact O-CB 3.4Å; V225-Y229 PolarHBondContact O-N 3.33Å; Y226-Y229 PolarHBondContact O-N 2.97Å; Y229-S231 VanDerWaalsContact C-N 3.35Å; Y229-R232 PolarHBondContact O-N 3.23Å; Y229-T233 WeakPolarHBondContact CE1-OG1 3.47Å; Y229-T233 WeakPolarHBondContact O-CB 3.27Å; Y229-T233 PolarHBondContact O-N 2.94Å; Y229-T233 PolarHBondContact O-OG1 2.9Å
230I88.7Confident76.8Confident81 Ų81103 Ų10342%0.41552%0.519SS..Hα-helixtrans-60.6-48.1174.5-69.4164.8000109.8Y226 V227 R232 T233 A234Y226-I230 HydrophobicContact CD1-CD1 3.55Å; Y226-I230 HydrophobicContact CD1-CG1 4.42Å; Y226-I230 HydrophobicContact CE1-CD1 3.16Å; Y226-I230 HydrophobicContact CE1-CG1 4.13Å; Y226-I230 HydrophobicContact CE2-CD1 4.3Å; Y226-I230 HydrophobicContact CE2-CG1 4.45Å; Y226-I230 HydrophobicContact CG-CD1 4.28Å; Y226-I230 WeakPolarHBondContact O-CG1 3.38Å; Y226-I230 PolarHBondContact O-N 3.27Å; V227-I230 PolarHBondContact O-N 3.46Å; I230-R232 VanDerWaalsContact C-N 3.34Å; I230-R232 PolarHBondContact O-N 2.96Å; I230-T233 PolarHBondContact O-N 2.9Å; I230-A234 VanDerWaalsContact O-CB 3.27Å; I230-A234 WeakPolarHBondContact O-CB 3.49Å; I230-A234 PolarHBondContact O-N 3.22Å
231S89.4Confident79.5Confident69 Ų6997.5 Ų97.548%0.48349%0.492SS..Hα-helixtrans-61-44.4-179-57.70000111.2V227 D228 Y229 A234 E235V227-S231 WeakPolarHBondContact O-CB 3.41Å; V227-S231 PolarHBondContact O-N 2.99Å; V227-S231 PolarHBondContact O-OG 3.38Å; D228-S231 PolarHBondContact O-N 3.19Å; Y229-S231 VanDerWaalsContact C-N 3.35Å; S231-A234 PolarHBondContact O-N 3.36Å; S231-E235 VanDerWaalsContact O-CB 3.3Å; S231-E235 WeakPolarHBondContact O-CB 3.41Å; S231-E235 PolarHBondContact O-N 3.43Å
232R88Confident81.6Confident164 Ų16495.8 Ų95.862%0.61948%0.482SS*.Hα-helixtrans-65.3-44.4176.5-177.7179.7167.6-153.3-9.6111.7D228 Y229 I230 A234 E235 E236D228-R232 VanDerWaalsContact O-CB 3.23Å; D228-R232 WeakPolarHBondContact O-CB 3.33Å; D228-R232 PolarHBondContact O-N 3.14Å; Y229-R232 PolarHBondContact O-N 3.23Å; I230-R232 VanDerWaalsContact C-N 3.34Å; I230-R232 PolarHBondContact O-N 2.96Å; R232-A234 VanDerWaalsContact C-N 3.34Å; R232-E235 PolarHBondContact O-N 3.14Å; R232-E236 HydrophobicContact CG-CG 4.48Å; R232-E236 IonicContact CZ-OE1 3.22Å; R232-E236 VanDerWaalsContact CZ-OE1 3.22Å; R232-E236 IonicContact NE-OE1 2.86Å; R232-E236 PolarHBondContact NE-OE1 3.35Å; R232-E236 IonicContact NH2-OE1 2.84Å; R232-E236 PolarHBondContact NH2-OE1 3.44Å; R232-E236 WeakPolarHBondContact O-CB 3.2Å; R232-E236 WeakPolarHBondContact O-CG 3.41Å; R232-E236 PolarHBondContact O-N 3.24Å
233T93.4Very high83.7Confident32 Ų3294.5 Ų94.520%0.19648%0.475CS..Hα-helixtrans-64.4-41.2179.2-59.60000111Y229 I230 Q237Y229-T233 WeakPolarHBondContact CE1-OG1 3.47Å; Y229-T233 WeakPolarHBondContact O-CB 3.27Å; Y229-T233 PolarHBondContact O-N 2.94Å; Y229-T233 PolarHBondContact O-OG1 2.9Å; I230-T233 PolarHBondContact O-N 2.9Å; T233-Q237 WeakPolarHBondContact O-CG 3.37Å; T233-Q237 PolarHBondContact O-N 2.86Å
234A94.5Very high85.6Confident42 Ų4298.4 Ų98.435%0.34749%0.489SS..Hα-helixtrans-64.3-45.6174.900000111.5I230 S231 R232 Q237 I238I230-A234 VanDerWaalsContact O-CB 3.27Å; I230-A234 WeakPolarHBondContact O-CB 3.49Å; I230-A234 PolarHBondContact O-N 3.22Å; S231-A234 PolarHBondContact O-N 3.36Å; R232-A234 VanDerWaalsContact C-N 3.34Å; A234-Q237 PolarHBondContact O-N 3.41Å; A234-I238 WeakPolarHBondContact O-CD1 3.47Å; A234-I238 VanDerWaalsContact O-CG1 3.26Å; A234-I238 WeakPolarHBondContact O-CG1 3.26Å; A234-I238 PolarHBondContact O-N 3.2Å
235E92.8Very high87.4Confident96 Ų9695.3 Ų95.345%0.44947%0.472SS..Hα-helixtrans-61-45.2176.1-17667.7-141.900111.6S231 R232 Q237 I238 Q239S231-E235 VanDerWaalsContact O-CB 3.3Å; S231-E235 WeakPolarHBondContact O-CB 3.41Å; S231-E235 PolarHBondContact O-N 3.43Å; R232-E235 PolarHBondContact O-N 3.14Å; E235-Q237 VanDerWaalsContact C-N 3.32Å; E235-Q237 PolarHBondContact O-N 2.95Å; E235-I238 PolarHBondContact O-N 2.88Å; E235-Q239 WeakPolarHBondContact O-CB 3.21Å; E235-Q239 VanDerWaalsContact O-CG 3.28Å; E235-Q239 WeakPolarHBondContact O-CG 3.12Å; E235-Q239 PolarHBondContact O-N 3.02Å; E235-Q239 PolarHBondContact OE1-NE2 3.4Å
236E94.8Very high89Confident54 Ų5495.3 Ų95.325%0.25246%0.464SS..Hα-helixtrans-61.3-39.1175.3-75.5-179.1-168.100112R232 R240R232-E236 HydrophobicContact CG-CG 4.48Å; R232-E236 IonicContact CZ-OE1 3.22Å; R232-E236 VanDerWaalsContact CZ-OE1 3.22Å; R232-E236 IonicContact NE-OE1 2.86Å; R232-E236 PolarHBondContact NE-OE1 3.35Å; R232-E236 IonicContact NH2-OE1 2.84Å; R232-E236 PolarHBondContact NH2-OE1 3.44Å; R232-E236 WeakPolarHBondContact O-CB 3.2Å; R232-E236 WeakPolarHBondContact O-CG 3.41Å; R232-E236 PolarHBondContact O-N 3.24Å; E236-R240 WeakPolarHBondContact O-CB 3.42Å; E236-R240 VanDerWaalsContact O-CG 3.26Å; E236-R240 WeakPolarHBondContact O-CG 3.49Å; E236-R240 PolarHBondContact O-N 3.1Å; E236-R240 IonicContact OE2-CZ 3.92Å; E236-R240 IonicContact OE2-NH2 2.93Å; E236-R240 PolarHBondContact OE2-NH2 3.32Å
237Q94.7Very high90.3Very high115 Ų11592.3 Ų92.354%0.53746%0.455SS..Hα-helixtrans-66.9-45.3175.2-76-179.248.900112.1T233 A234 E235 Q239 R240 A241T233-Q237 WeakPolarHBondContact O-CG 3.37Å; T233-Q237 PolarHBondContact O-N 2.86Å; A234-Q237 PolarHBondContact O-N 3.41Å; E235-Q237 VanDerWaalsContact C-N 3.32Å; E235-Q237 PolarHBondContact O-N 2.95Å; Q237-Q239 VanDerWaalsContact C-N 3.31Å; Q237-Q239 PolarHBondContact O-N 3.2Å; Q237-R240 PolarHBondContact O-N 2.9Å; Q237-A241 WeakPolarHBondContact O-CB 3.45Å; Q237-A241 PolarHBondContact O-N 2.74Å
238I93Very high91Very high78 Ų7894.5 Ų94.540%0.446%0.463SS..Hα-helixtrans-60.5-43.4176.8-68.6162.1000110A234 E235 A241 M242 F247A234-I238 WeakPolarHBondContact O-CD1 3.47Å; A234-I238 VanDerWaalsContact O-CG1 3.26Å; A234-I238 WeakPolarHBondContact O-CG1 3.26Å; A234-I238 PolarHBondContact O-N 3.2Å; E235-I238 PolarHBondContact O-N 2.88Å; I238-A241 PolarHBondContact O-N 2.73Å; I238-M242 HydrophobicContact CG2-CE 4.06Å; I238-M242 HydrophobicContact CG2-CG 4.43Å; I238-M242 HydrophobicContact CG2-SD 4.36Å; I238-M242 WeakPolarHBondContact O-CB 3.43Å; I238-M242 VanDerWaalsContact O-CG 3.32Å; I238-M242 WeakPolarHBondContact O-CG 3.38Å; I238-M242 PolarHBondContact O-N 3.47Å; I238-F247 HydrophobicContact CG2-CE2 4.45Å; I238-F247 HydrophobicContact CG2-CZ 4.46Å
239Q94.4Very high91.3Very high88 Ų8895.9 Ų95.941%0.41147%0.471SS..Hα-helixtrans-64.4-42.3176.8-73.1175.615.100112.7E235 Q237 M242 N243E235-Q239 WeakPolarHBondContact O-CB 3.21Å; E235-Q239 VanDerWaalsContact O-CG 3.28Å; E235-Q239 WeakPolarHBondContact O-CG 3.12Å; E235-Q239 PolarHBondContact O-N 3.02Å; E235-Q239 PolarHBondContact OE1-NE2 3.4Å; Q237-Q239 VanDerWaalsContact C-N 3.31Å; Q237-Q239 PolarHBondContact O-N 3.2Å; Q239-M242 HydrophobicContact CB-CE 4.44Å; Q239-M242 HydrophobicContact CG-CE 3.94Å; Q239-M242 PolarHBondContact O-N 3.32Å; Q239-N243 WeakPolarHBondContact O-CB 3.32Å; Q239-N243 PolarHBondContact O-N 3.03Å; Q239-N243 PolarHBondContact O-ND2 3.47Å
240R95Very high91.4Very high147 Ų14793.2 Ų93.256%0.55547%0.466SS*.Hα-helixtrans-60.9-45.4173.7-73.3175.5-160.71249.6111.4E236 Q237 N243 H244E236-R240 WeakPolarHBondContact O-CB 3.42Å; E236-R240 VanDerWaalsContact O-CG 3.26Å; E236-R240 WeakPolarHBondContact O-CG 3.49Å; E236-R240 PolarHBondContact O-N 3.1Å; E236-R240 IonicContact OE2-CZ 3.92Å; E236-R240 IonicContact OE2-NH2 2.93Å; E236-R240 PolarHBondContact OE2-NH2 3.32Å; Q237-R240 PolarHBondContact O-N 2.9Å; R240-N243 PolarHBondContact O-N 3.31Å; R240-H244 WeakPolarHBondContact O-CB 3.42Å; R240-H244 PolarHBondContact O-N 3.46Å
241A93.2Very high91.3Very high12 Ų1295.4 Ų95.410%0.09949%0.489CS..Hα-helixtrans-65-37.6177.600000112.6Q237 I238 H244 G245 E246 F247Q237-A241 WeakPolarHBondContact O-CB 3.45Å; Q237-A241 PolarHBondContact O-N 2.74Å; I238-A241 PolarHBondContact O-N 2.73Å; A241-H244 PolarHBondContact O-N 2.64Å; A241-G245 PolarHBondContact O-N 2.95Å; A241-G245 VanDerWaalsContact O-N 3.11Å; A241-E246 HydrophobicContact CB-CB 4.29Å; A241-E246 HydrophobicContact CB-CG 4.46Å; A241-E246 VanDerWaalsContact CB-OE2 3.27Å; A241-E246 WeakPolarHBondContact CB-OE2 3.48Å; A241-E246 PolarHBondContact O-N 3.12Å; A241-F247 HydrophobicContact CB-CD2 4.27Å; A241-F247 HydrophobicContact CB-CE2 3.49Å; A241-F247 VanDerWaalsContact CB-CE2 3.49Å; A241-F247 HydrophobicContact CB-CZ 4.13Å
242M91.3Very high91.1Very high96 Ų9694.1 Ų94.147%0.47349%0.486SS..Hα-helixtrans-64-46.3171.7-75-170.5-57.800112.3I238 Q239 H244 G245 F247I238-M242 HydrophobicContact CG2-CE 4.06Å; I238-M242 HydrophobicContact CG2-CG 4.43Å; I238-M242 HydrophobicContact CG2-SD 4.36Å; I238-M242 WeakPolarHBondContact O-CB 3.43Å; I238-M242 VanDerWaalsContact O-CG 3.32Å; I238-M242 WeakPolarHBondContact O-CG 3.38Å; I238-M242 PolarHBondContact O-N 3.47Å; Q239-M242 HydrophobicContact CB-CE 4.44Å; Q239-M242 HydrophobicContact CG-CE 3.94Å; Q239-M242 PolarHBondContact O-N 3.32Å; M242-H244 VanDerWaalsContact C-N 3.28Å; M242-H244 PolarHBondContact O-N 3.48Å; M242-G245 WeakPolarHBondContact O-CA 3.48Å; M242-G245 PolarHBondContact O-N 3.34Å; M242-F247 HydrophobicContact CB-CD2 4.22Å; M242-F247 HydrophobicContact CB-CE2 4.49Å; M242-F247 HydrophobicContact CG-CD2 3.47Å; M242-F247 VanDerWaalsContact CG-CD2 3.47Å; M242-F247 HydrophobicContact CG-CE2 3.66Å; M242-F247 HydrophobicContact CG-CG 4.46Å
243N93.2Very high90.9Very high145 Ų14592.3 Ų92.378%0.77549%0.485SS*.Hα-helixtrans-63.6-35.6177.6-69.5-16.2000112.1Q239 R240 G245Q239-N243 WeakPolarHBondContact O-CB 3.32Å; Q239-N243 PolarHBondContact O-N 3.03Å; Q239-N243 PolarHBondContact O-ND2 3.47Å; R240-N243 PolarHBondContact O-N 3.31Å; N243-G245 PolarHBondContact O-N 2.86Å
244H93.1Very high90.6Very high148 Ų14894.7 Ų94.769%0.68552%0.516SS*.THydrogen-bonded Turntrans-75.4-9.3174.9-163.9-97.6000112.7R240 A241 M242 E246R240-H244 WeakPolarHBondContact O-CB 3.42Å; R240-H244 PolarHBondContact O-N 3.46Å; A241-H244 PolarHBondContact O-N 2.64Å; M242-H244 VanDerWaalsContact C-N 3.28Å; M242-H244 PolarHBondContact O-N 3.48Å; H244-E246 VanDerWaalsContact C-N 3.34Å; H244-E246 HydrophobicContact CB-CG 4.24Å; H244-E246 IonicContact ND1-OE1 3.69Å
245G91Very high90.2Very high22 Ų22102.1 Ų102.123%0.22754%0.535CS..THydrogen-bonded Turntrans75.918.3178.300000114.4A241 M242 N243 F247 N248A241-G245 PolarHBondContact O-N 2.95Å; A241-G245 VanDerWaalsContact O-N 3.11Å; M242-G245 WeakPolarHBondContact O-CA 3.48Å; M242-G245 PolarHBondContact O-N 3.34Å; N243-G245 PolarHBondContact O-N 2.86Å; G245-F247 PolarHBondContact O-N 3.4Å; G245-F247 VanDerWaalsContact O-N 3.12Å; G245-N248 WeakPolarHBondContact CA-ND2 3.5Å; G245-N248 WeakPolarHBondContact O-CB 3.41Å; G245-N248 PolarHBondContact O-N 2.68Å
246E90.4Very high89.9Confident121 Ų121103.5 Ų103.557%0.56555%0.552SS**THydrogen-bonded Turntrans-61.3-22.3179.6-64.4-175.6172.100112.6A241 H244A241-E246 HydrophobicContact CB-CB 4.29Å; A241-E246 HydrophobicContact CB-CG 4.46Å; A241-E246 VanDerWaalsContact CB-OE2 3.27Å; A241-E246 WeakPolarHBondContact CB-OE2 3.48Å; A241-E246 PolarHBondContact O-N 3.12Å; H244-E246 VanDerWaalsContact C-N 3.34Å; H244-E246 HydrophobicContact CB-CG 4.24Å; H244-E246 IonicContact ND1-OE1 3.69Å
247F90.2Very high89.3Confident87 Ų87104.5 Ų104.538%0.38256%0.559SS.*THydrogen-bonded Turntrans-89.8-4.5177.8-62.3-77.7000114.6I238 A241 M242 G245 N249 L250I238-F247 HydrophobicContact CG2-CE2 4.45Å; I238-F247 HydrophobicContact CG2-CZ 4.46Å; A241-F247 HydrophobicContact CB-CD2 4.27Å; A241-F247 HydrophobicContact CB-CE2 3.49Å; A241-F247 VanDerWaalsContact CB-CE2 3.49Å; A241-F247 HydrophobicContact CB-CZ 4.13Å; M242-F247 HydrophobicContact CB-CD2 4.22Å; M242-F247 HydrophobicContact CB-CE2 4.49Å; M242-F247 HydrophobicContact CG-CD2 3.47Å; M242-F247 VanDerWaalsContact CG-CD2 3.47Å; M242-F247 HydrophobicContact CG-CE2 3.66Å; M242-F247 HydrophobicContact CG-CG 4.46Å; G245-F247 PolarHBondContact O-N 3.4Å; G245-F247 VanDerWaalsContact O-N 3.12Å; F247-N249 VanDerWaalsContact C-N 3.31Å; F247-N249 PolarHBondContact O-N 3.18Å; F247-L250 HydrophobicContact CD1-CD1 4.26Å; F247-L250 HydrophobicContact CD1-CD2 4.23Å
248N85Confident88.7Confident124 Ų124102.2 Ų102.266%0.66355%0.55SS**THydrogen-bonded Turntrans-80.1-9-174-68.6-22.2000114.2G245 Q253G245-N248 WeakPolarHBondContact CA-ND2 3.5Å; G245-N248 WeakPolarHBondContact O-CB 3.41Å; G245-N248 PolarHBondContact O-N 2.68Å; N248-Q253 PolarHBondContact O-OE1 3.12Å
249N85.9Confident87.8Confident145 Ų145105 Ų10578%0.77556%0.557SS**THydrogen-bonded Turntrans-147.557.3179.7-172.327.1000111.2F247F247-N249 VanDerWaalsContact C-N 3.31Å; F247-N249 PolarHBondContact O-N 3.18Å
250L87.4Confident86.8Confident91 Ų91107.3 Ų107.348%0.47657%0.572SS.*  trans-68.7144.5178-64.8175.7000110.7F247 G252 Q253F247-L250 HydrophobicContact CD1-CD1 4.26Å; F247-L250 HydrophobicContact CD1-CD2 4.23Å; L250-G252 PolarHBondContact O-N 3.13Å; L250-Q253 WeakPolarHBondContact O-CB 3.45Å; L250-Q253 PolarHBondContact O-N 3.14Å
251S85.8Confident86Confident128 Ų128108 Ų10890%0.89558%0.579SS**THydrogen-bonded Turntrans-60125.6174.156.80000110.1
252G85.2Confident85.1Confident42 Ų42111 Ų11143%0.43359%0.593SS.*THydrogen-bonded Turntrans87.73.4-177.900000115.4L250 G254 R255L250-G252 PolarHBondContact O-N 3.13Å; G252-G254 PolarHBondContact O-N 3.42Å; G252-R255 WeakPolarHBondContact O-CB 3.44Å; G252-R255 PolarHBondContact O-N 2.86Å
253Q85.3Confident83.8Confident125 Ų125108.4 Ų108.458%0.58458%0.584SS**THydrogen-bonded Turntrans-55127.8170.9-173.6172.9-2.600110.7N248 L250 R255N248-Q253 PolarHBondContact O-OE1 3.12Å; L250-Q253 WeakPolarHBondContact O-CB 3.45Å; L250-Q253 PolarHBondContact O-N 3.14Å; Q253-R255 PolarHBondContact O-N 3.1Å
254G86.4Confident82.8Confident83 Ų83108.2 Ų108.286%0.85658%0.578SS**THydrogen-bonded Turntrans76.7-6-177.600000115.6G252G252-G254 PolarHBondContact O-N 3.42Å
255R87.2Confident81.7Confident198 Ų198104.3 Ų104.375%0.74756%0.564SS**SBendtrans-74.4142.7172-65.4-169.1-179.9-139-1.1110G252 Q253 I257G252-R255 WeakPolarHBondContact O-CB 3.44Å; G252-R255 PolarHBondContact O-N 2.86Å; Q253-R255 PolarHBondContact O-N 3.1Å; R255-I257 PolarHBondContact O-N 2.76Å
256P86Confident80.4Confident124 Ų124111 Ų11181%0.80559%0.587SS**PPolyproline II helixtrans-53.4139.2171.1-25.134.1000111.3D258P256-D258 PolarHBondContact O-N 3.19Å
257I81Confident79.4Confident75 Ų75107.1 Ų107.139%0.38558%0.58SS.*PPolyproline II helixtrans-65.7128.8177.5-62.7172.2000108.7R255 Y259 N262 V265 F266R255-I257 PolarHBondContact O-N 2.76Å; I257-Y259 WeakPolarHBondContact O-CD2 3.32Å; I257-Y259 PolarHBondContact O-N 2.9Å; I257-Y259 VanDerWaalsContact O-N 3.12Å; I257-N262 HydrophobicContact CG2-CB 4.32Å; I257-V265 HydrophobicContact CD1-CG1 4.18Å; I257-F266 HydrophobicContact CD1-CE2 4.4Å
258D81.8Confident78.9Confident68 Ų68107 Ų10736%0.36458%0.583SS.*  trans-74.2100.3170.6-174.8-11.7000109.1P256 D260 K261 N262P256-D258 PolarHBondContact O-N 3.19Å; D258-D260 PolarHBondContact O-N 3.3Å; D258-D260 PolarHBondContact OD1-N 3.45Å; D258-D260 VanDerWaalsContact OD1-N 3.12Å; D258-K261 PolarHBondContact O-N 2.88Å; D258-K261 WeakPolarHBondContact OD2-CD 3.41Å; D258-K261 WeakPolarHBondContact OD2-CE 3.42Å; D258-K261 WeakPolarHBondContact OD2-CG 3.23Å; D258-K261 IonicContact OD2-NZ 2.88Å; D258-N262 PolarHBondContact O-N 3.16Å; D258-N262 VanDerWaalsContact O-N 3.14Å; D258-N262 PolarHBondContact O-ND2 3.16Å
259Y74.5Confident78.5Confident137 Ų137104 Ų10454%0.53757%0.572SS.*THydrogen-bonded Turntrans-66.6-22.7-177.5-63.2-72.8000113.1I257 N262 F266 K272I257-Y259 WeakPolarHBondContact O-CD2 3.32Å; I257-Y259 PolarHBondContact O-N 2.9Å; I257-Y259 VanDerWaalsContact O-N 3.12Å; Y259-N262 CarbonylContact O-C 3.56Å; Y259-F266 HydrophobicContact CD1-CD2 4.41Å; Y259-F266 AromaticContact CE1-CD2 3.76Å; Y259-F266 HydrophobicContact CE1-CD2 3.76Å; Y259-F266 AromaticContact CE1-CE2 3.78Å; Y259-F266 HydrophobicContact CE1-CE2 3.78Å; Y259-K272 PolarHBondContact O-NZ 3.27Å
260D74.7Confident78.3Confident136 Ų136100.9 Ų100.973%0.72756%0.558SS**THydrogen-bonded Turntrans-72.6-41.7179.7-72.5-26.8000111.1D258 K272D258-D260 PolarHBondContact O-N 3.3Å; D258-D260 PolarHBondContact OD1-N 3.45Å; D258-D260 VanDerWaalsContact OD1-N 3.12Å; D260-K272 IonicContact OD1-NZ 3.19Å
261K77.3Confident78.1Confident161 Ų161100.8 Ų100.870%0.756%0.558SS**THydrogen-bonded Turntrans-75.7-28.1175.9-64.3179.7-171.11710113.4D258 P263D258-K261 PolarHBondContact O-N 2.88Å; D258-K261 WeakPolarHBondContact OD2-CD 3.41Å; D258-K261 WeakPolarHBondContact OD2-CE 3.42Å; D258-K261 WeakPolarHBondContact OD2-CG 3.23Å; D258-K261 IonicContact OD2-NZ 2.88Å; K261-P263 WeakPolarHBondContact O-CD 3.42Å
262N73.4Confident77.6Confident76 Ų7697.6 Ų97.641%0.40653%0.528SS..  trans-119.467.5-174.4-55-76.4000112I257 D258 Y259 H264 V265I257-N262 HydrophobicContact CG2-CB 4.32Å; D258-N262 PolarHBondContact O-N 3.16Å; D258-N262 VanDerWaalsContact O-N 3.14Å; D258-N262 PolarHBondContact O-ND2 3.16Å; Y259-N262 CarbonylContact O-C 3.56Å; N262-H264 PolarHBondContact O-N 3.38Å; N262-H264 VanDerWaalsContact O-N 3.14Å; N262-V265 HydrophobicContact CB-CG2 3.54Å; N262-V265 PolarHBondContact O-N 3.47Å
263P65.9Low77.5Confident41 Ų41105.1 Ų105.127%0.26654%0.544SS..THydrogen-bonded Turntrans-65.2-20-175.827.1-35.3000113.4K261 K272K261-P263 WeakPolarHBondContact O-CD 3.42Å; P263-K272 HydrophobicContact CB-CD 3.59Å
264H71.2Confident77.5Confident140 Ų140103 Ų10365%0.64854%0.536SS*.THydrogen-bonded Turntrans-85.8-7.4-173.1-55.3-62.4000114.9N262 F266N262-H264 PolarHBondContact O-N 3.38Å; N262-H264 VanDerWaalsContact O-N 3.14Å; H264-F266 PolarHBondContact O-N 2.97Å
265V69.9Low77.3Confident67 Ų67103.7 Ų103.741%0.40652%0.52SS..SBendtrans-70.2-30.7-166.2-1790000112.7I257 N262I257-V265 HydrophobicContact CD1-CG1 4.18Å; N262-V265 HydrophobicContact CB-CG2 3.54Å; N262-V265 PolarHBondContact O-N 3.47Å
266F64Low77.1Confident161 Ų16199.7 Ų99.771%0.70651%0.51SS*.SBendtrans-1359.5-176.3-63-68.3000115.2I257 Y259 H264I257-F266 HydrophobicContact CD1-CE2 4.4Å; Y259-F266 HydrophobicContact CD1-CD2 4.41Å; Y259-F266 AromaticContact CE1-CD2 3.76Å; Y259-F266 HydrophobicContact CE1-CD2 3.76Å; Y259-F266 AromaticContact CE1-CE2 3.78Å; Y259-F266 HydrophobicContact CE1-CE2 3.78Å; H264-F266 PolarHBondContact O-N 2.97Å
267G69.2Low77.1Confident40 Ų4098.8 Ų98.841%0.41250%0.498SS..SBendtrans-169.2164.7-17800000114.2S269G267-S269 PolarHBondContact O-N 3.15Å
268D78.8Confident77.4Confident84 Ų8498.4 Ų98.445%0.44950%0.495SS..  trans-60.7135.4169.3-174.7-5.8000108.8T270 D271 K272D268-T270 PolarHBondContact O-N 2.94Å; D268-T270 VanDerWaalsContact O-N 3.1Å; D268-T270 PolarHBondContact OD1-N 3.45Å; D268-T270 PolarHBondContact OD1-OG1 3.37Å; D268-T270 PolarHBondContact OD2-OG1 2.9Å; D268-D271 HydrophobicContact CB-CB 4.42Å; D268-D271 PolarHBondContact O-N 3.09Å; D268-D271 VanDerWaalsContact O-N 3.14Å; D268-K272 PolarHBondContact O-N 3.5Å; D268-K272 VanDerWaalsContact O-N 3.13Å
269S77.8Confident77.5Confident61 Ų6198.3 Ų98.343%0.42750%0.504SS..Hα-helixtrans-47.9-32.6168.262.10000113.1G267 R273G267-S269 PolarHBondContact O-N 3.15Å; S269-R273 WeakPolarHBondContact O-CB 3.47Å; S269-R273 PolarHBondContact O-N 3.34Å
270T81.2Confident77.9Confident80 Ų8097.5 Ų97.549%0.49151%0.509SS..Hα-helixtrans-71.4-46.7179.171.30000111.9D268 K272 R273 L274D268-T270 PolarHBondContact O-N 2.94Å; D268-T270 VanDerWaalsContact O-N 3.1Å; D268-T270 PolarHBondContact OD1-N 3.45Å; D268-T270 PolarHBondContact OD1-OG1 3.37Å; D268-T270 PolarHBondContact OD2-OG1 2.9Å; T270-K272 VanDerWaalsContact C-N 3.35Å; T270-K272 PolarHBondContact O-N 3.19Å; T270-R273 PolarHBondContact O-N 3.49Å; T270-L274 WeakPolarHBondContact O-CB 3.28Å; T270-L274 PolarHBondContact O-N 2.89Å
271D82.4Confident78.7Confident90 Ų9098.4 Ų98.448%0.48151%0.508SS..Hα-helixtrans-61.5-42.5177.7-81.1-11.5000111.5D268 R273 L274 N275D268-D271 HydrophobicContact CB-CB 4.42Å; D268-D271 PolarHBondContact O-N 3.09Å; D268-D271 VanDerWaalsContact O-N 3.14Å; D271-R273 PolarHBondContact O-N 3.21Å; D271-L274 PolarHBondContact O-N 3.1Å; D271-N275 WeakPolarHBondContact O-CB 3.39Å; D271-N275 VanDerWaalsContact O-CG 3.24Å; D271-N275 PolarHBondContact O-N 3.02Å; D271-N275 PolarHBondContact O-ND2 2.92Å
272K77Confident79.1Confident61 Ų6193.6 Ų93.627%0.26551%0.505SS..Hα-helixtrans-61.6-45.7175.7-171.2-176.8178.3-1710111.3Y259 D260 P263 D268 T270 L274 N275 Q276Y259-K272 PolarHBondContact O-NZ 3.27Å; D260-K272 IonicContact OD1-NZ 3.19Å; P263-K272 HydrophobicContact CB-CD 3.59Å; D268-K272 PolarHBondContact O-N 3.5Å; D268-K272 VanDerWaalsContact O-N 3.13Å; T270-K272 VanDerWaalsContact C-N 3.35Å; T270-K272 PolarHBondContact O-N 3.19Å; K272-L274 VanDerWaalsContact C-N 3.32Å; K272-L274 PolarHBondContact O-N 2.88Å; K272-N275 PolarHBondContact O-N 3.45Å; K272-Q276 WeakPolarHBondContact O-CB 3.35Å; K272-Q276 PolarHBondContact O-N 3.41Å
273R82.9Confident79.8Confident199 Ų19996 Ų9675%0.75151%0.511SS*.Hα-helixtrans-63.1-39.4178.7-176.7173.7179.51430.3111.8S269 T270 D271 Q276 L277S269-R273 WeakPolarHBondContact O-CB 3.47Å; S269-R273 PolarHBondContact O-N 3.34Å; T270-R273 PolarHBondContact O-N 3.49Å; D271-R273 PolarHBondContact O-N 3.21Å; R273-Q276 PolarHBondContact O-N 3.46Å; R273-L277 WeakPolarHBondContact O-CB 3.43Å; R273-L277 PolarHBondContact O-N 3.38Å
274L85.1Confident80.4Confident80 Ų8098.2 Ų98.242%0.41952%0.521SS..Hα-helixtrans-63.2-48.3175.3179.962.3000111.2T270 D271 K272 Q276 L277 M278T270-L274 WeakPolarHBondContact O-CB 3.28Å; T270-L274 PolarHBondContact O-N 2.89Å; D271-L274 PolarHBondContact O-N 3.1Å; K272-L274 VanDerWaalsContact C-N 3.32Å; K272-L274 PolarHBondContact O-N 2.88Å; L274-Q276 VanDerWaalsContact C-N 3.3Å; L274-Q276 PolarHBondContact O-N 3.32Å; L274-L277 WeakPolarHBondContact O-CB 2.95Å; L274-L277 PolarHBondContact O-N 2.79Å; L274-M278 HydrophobicContact CD1-CE 3.84Å; L274-M278 HydrophobicContact CD2-CE 4.14Å; L274-M278 HydrophobicContact CG-CE 3.89Å; L274-M278 HydrophobicContact CG-SD 4.29Å; L274-M278 WeakPolarHBondContact O-CB 3.38Å; L274-M278 WeakPolarHBondContact O-CG 3.48Å; L274-M278 PolarHBondContact O-N 3.37Å
275N81.2Confident80.7Confident99 Ų9994.1 Ų94.153%0.52951%0.507SS..Hα-helixtrans-61.7-39.7177.6-71.5-20.1000111.7D271 K272 M278 A279D271-N275 WeakPolarHBondContact O-CB 3.39Å; D271-N275 VanDerWaalsContact O-CG 3.24Å; D271-N275 PolarHBondContact O-N 3.02Å; D271-N275 PolarHBondContact O-ND2 2.92Å; K272-N275 PolarHBondContact O-N 3.45Å; N275-M278 PolarHBondContact O-N 2.88Å; N275-A279 WeakPolarHBondContact O-CB 3.45Å; N275-A279 PolarHBondContact O-N 3.46Å
276Q82.6Confident81.1Confident114 Ų11498.6 Ų98.653%0.53352%0.521SS..Hα-helixtrans-64.7-42.3175.1-170.6176.38.400111.7K272 R273 L274 A279 N280K272-Q276 WeakPolarHBondContact O-CB 3.35Å; K272-Q276 PolarHBondContact O-N 3.41Å; R273-Q276 PolarHBondContact O-N 3.46Å; L274-Q276 VanDerWaalsContact C-N 3.3Å; L274-Q276 PolarHBondContact O-N 3.32Å; Q276-A279 PolarHBondContact O-N 3.45Å; Q276-N280 WeakPolarHBondContact O-CB 3.3Å; Q276-N280 PolarHBondContact O-N 3.24Å; Q276-N280 PolarHBondContact O-OD1 3.35Å
277L86.8Confident81.8Confident104 Ų10499 Ų9955%0.54552%0.518SS..Hα-helixtrans-61.8-47.8174.6-171.180.6000110.8R273 L274 A279 N280 Q281R273-L277 WeakPolarHBondContact O-CB 3.43Å; R273-L277 PolarHBondContact O-N 3.38Å; L274-L277 WeakPolarHBondContact O-CB 2.95Å; L274-L277 PolarHBondContact O-N 2.79Å; L277-A279 PolarHBondContact O-N 3.4Å; L277-N280 PolarHBondContact O-N 2.93Å; L277-Q281 VanDerWaalsContact O-CG 3.3Å; L277-Q281 WeakPolarHBondContact O-CG 3.4Å; L277-Q281 PolarHBondContact O-N 2.98Å
278M87.4Confident82.2Confident68 Ų6899 Ų9934%0.33551%0.509SS..Hα-helixtrans-57.9-47.1177.4-76.8-179.6176.100111.4L274 N275 N280 Q281 G282 F283L274-M278 HydrophobicContact CD1-CE 3.84Å; L274-M278 HydrophobicContact CD2-CE 4.14Å; L274-M278 HydrophobicContact CG-CE 3.89Å; L274-M278 HydrophobicContact CG-SD 4.29Å; L274-M278 WeakPolarHBondContact O-CB 3.38Å; L274-M278 WeakPolarHBondContact O-CG 3.48Å; L274-M278 PolarHBondContact O-N 3.37Å; N275-M278 PolarHBondContact O-N 2.88Å; M278-N280 PolarHBondContact O-N 2.97Å; M278-Q281 PolarHBondContact O-N 3.21Å; M278-G282 PolarHBondContact O-N 2.88Å; M278-F283 HydrophobicContact CB-CB 3.98Å; M278-F283 HydrophobicContact CB-CD1 4.16Å; M278-F283 HydrophobicContact CB-CG 4.4Å; M278-F283 HydrophobicContact CG-CB 4.46Å; M278-F283 HydrophobicContact CG-CD1 4.19Å; M278-F283 HydrophobicContact CG-CG 4.48Å; M278-F283 VanDerWaalsContact O-CB 3.23Å; M278-F283 WeakPolarHBondContact O-CB 3.23Å; M278-F283 PolarHBondContact O-N 3.47Å; M278-F283 HydrophobicContact SD-CD1 4.01Å; M278-F283 HydrophobicContact SD-CE1 4.25Å
279A83.2Confident82.4Confident66 Ų6699.7 Ų99.755%0.54551%0.513SS..Hα-helixtrans-61-43.9176.400000112.2N275 Q276 L277 Q281 G282N275-A279 WeakPolarHBondContact O-CB 3.45Å; N275-A279 PolarHBondContact O-N 3.46Å; Q276-A279 PolarHBondContact O-N 3.45Å; L277-A279 PolarHBondContact O-N 3.4Å; A279-Q281 VanDerWaalsContact C-N 3.27Å; A279-Q281 PolarHBondContact O-N 2.85Å; A279-G282 PolarHBondContact O-N 3.48Å
280N84.6Confident82.7Confident120 Ų120102.7 Ų102.764%0.64252%0.523SS*.Hα-helixtrans-62.9-32.2176.8-71.4-7.7000112.8Q276 L277 M278 G282Q276-N280 WeakPolarHBondContact O-CB 3.3Å; Q276-N280 PolarHBondContact O-N 3.24Å; Q276-N280 PolarHBondContact O-OD1 3.35Å; L277-N280 PolarHBondContact O-N 2.93Å; M278-N280 PolarHBondContact O-N 2.97Å; N280-G282 PolarHBondContact O-N 3.26Å
281Q90.5Very high82.5Confident154 Ų154105.6 Ų105.672%0.7254%0.536SS*.THydrogen-bonded Turntrans-80.9-0174.7-62-57.3-52.500113L277 M278 A279 F283L277-Q281 VanDerWaalsContact O-CG 3.3Å; L277-Q281 WeakPolarHBondContact O-CG 3.4Å; L277-Q281 PolarHBondContact O-N 2.98Å; M278-Q281 PolarHBondContact O-N 3.21Å; A279-Q281 VanDerWaalsContact C-N 3.27Å; A279-Q281 PolarHBondContact O-N 2.85Å; Q281-F283 VanDerWaalsContact C-N 3.32Å
282G86.1Confident81.4Confident60 Ų60112 Ų11262%0.61956%0.56SS**THydrogen-bonded Turntrans74.220-17700000114M278 A279 N280 L284M278-G282 PolarHBondContact O-N 2.88Å; A279-G282 PolarHBondContact O-N 3.48Å; N280-G282 PolarHBondContact O-N 3.26Å; G282-L284 PolarHBondContact O-N 2.91Å
283F87.2Confident81.6Confident126 Ų126114.6 Ų114.655%0.55357%0.574SS**PPolyproline II helixtrans-72.9119.9179.2-173.4-96.5000110.8M278 Q281M278-F283 HydrophobicContact CB-CB 3.98Å; M278-F283 HydrophobicContact CB-CD1 4.16Å; M278-F283 HydrophobicContact CB-CG 4.4Å; M278-F283 HydrophobicContact CG-CB 4.46Å; M278-F283 HydrophobicContact CG-CD1 4.19Å; M278-F283 HydrophobicContact CG-CG 4.48Å; M278-F283 VanDerWaalsContact O-CB 3.23Å; M278-F283 WeakPolarHBondContact O-CB 3.23Å; M278-F283 PolarHBondContact O-N 3.47Å; M278-F283 HydrophobicContact SD-CD1 4.01Å; M278-F283 HydrophobicContact SD-CE1 4.25Å; Q281-F283 VanDerWaalsContact C-N 3.32Å
284L79.4Confident81.6Confident89 Ų89110.2 Ų110.247%0.46657%0.565SS.*PPolyproline II helixtrans-88.7128.7176.5-73.5159.1000110G282 V288 L289G282-L284 PolarHBondContact O-N 2.91Å; L284-V288 HydrophobicContact CD2-CG1 4.05Å; L284-L289 HydrophobicContact CB-CD2 4.33Å; L284-L289 HydrophobicContact CB-CG 4.44Å; L284-L289 HydrophobicContact CD1-CD2 4.43Å
285P76.4Confident81.4Confident54 Ų54111.8 Ų111.835%0.35157%0.573SS.*PPolyproline II helixtrans-64.7146.6177.124.8-30.5000110.9W287 V288P285-W287 HydrophobicContact CG-CZ2 3.94Å; P285-W287 PolarHBondContact O-N 3.44Å; P285-V288 HydrophobicContact CG-CG2 3.86Å; P285-V288 WeakPolarHBondContact O-CB 3.43Å; P285-V288 PolarHBondContact O-N 3.04Å
286K78.9Confident81.4Confident160 Ų160112.6 Ų112.670%0.69658%0.576SS**Hα-helixtrans-52.7-35.3-169.1-165.8178.6-178.3-177.40114.1V288 L289 L290K286-V288 VanDerWaalsContact C-N 3.32Å; K286-V288 PolarHBondContact O-N 3.36Å; K286-L289 WeakPolarHBondContact O-CB 3.37Å; K286-L289 PolarHBondContact O-N 3.42Å; K286-L290 WeakPolarHBondContact O-CG 3.42Å; K286-L290 PolarHBondContact O-N 3.46Å
287W78.8Confident81.3Confident170 Ų170112.5 Ų112.564%0.64458%0.578SS**Hα-helixtrans-68.4-27.6179.260.3-97.6000113.5P285 L289 L290 N291P285-W287 HydrophobicContact CG-CZ2 3.94Å; P285-W287 PolarHBondContact O-N 3.44Å; W287-L289 VanDerWaalsContact C-N 3.33Å; W287-L290 PolarHBondContact O-N 3.06Å; W287-N291 PolarHBondContact O-N 3.18Å
288V78.7Confident80.9Confident39 Ų39113.1 Ų113.124%0.23658%0.581CS.*Hα-helixtrans-70.1-36172.41800000110.3L284 P285 K286L284-V288 HydrophobicContact CD2-CG1 4.05Å; P285-V288 HydrophobicContact CG-CG2 3.86Å; P285-V288 WeakPolarHBondContact O-CB 3.43Å; P285-V288 PolarHBondContact O-N 3.04Å; K286-V288 VanDerWaalsContact C-N 3.32Å; K286-V288 PolarHBondContact O-N 3.36Å
289L83.2Confident80.5Confident99 Ų99116.3 Ų116.352%0.51860%0.598SS.*Hα-helixtrans-69.7-32.5176.2-62.4172.1000112.4L284 K286 W287 N291L284-L289 HydrophobicContact CB-CD2 4.33Å; L284-L289 HydrophobicContact CB-CG 4.44Å; L284-L289 HydrophobicContact CD1-CD2 4.43Å; K286-L289 WeakPolarHBondContact O-CB 3.37Å; K286-L289 PolarHBondContact O-N 3.42Å; W287-L289 VanDerWaalsContact C-N 3.33Å; L289-N291 VanDerWaalsContact C-N 3.32Å
290L83.5Confident80.2Confident125 Ų125120.2 Ų120.265%0.65460%0.602SS**Hα-helixtrans-74.3-20.6179.6-69.3172.2000113.6K286 W287K286-L290 WeakPolarHBondContact O-CG 3.42Å; K286-L290 PolarHBondContact O-N 3.46Å; W287-L290 PolarHBondContact O-N 3.06Å
291N77.6Confident79.9Confident140 Ų140120.2 Ų120.275%0.74960%0.599SS**THydrogen-bonded Turntrans-95.64179.7-69.80.2000113.4W287 L289W287-N291 PolarHBondContact O-N 3.18Å; L289-N291 VanDerWaalsContact C-N 3.32Å
292K58.5Low78.9Confident226 Ų226117.1 Ų117.198%0.98359%0.588SS**  trans-1020170.6-84.6-170171.6-169.20109.9

Retrieved 292 of 292 residues in 71.4 ms (Link to these results)