A0A075EYB0_CYNSE Loading...

Growth arrest and DNA damage-inducible protein GADD45 gamma

Involved in the regulation of growth and apoptosis. Mediates activation of stress-responsive MTK1/MEKK4 MAPKKK.

AlphaFold DB , UniProt , Accession A0A075EYB0, Species CYNSE (Cynoglossus semilaevis, Tongue sole), Gene n/a, Length 159 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
1M45.3Very low51Low206 Ų206127.9 Ų127.9100%1.01563%0.626SS**  0124.30-67.1-161-66.200107.5E5M1-E5 WeakPolarHBondContact CA-OE2 3.43Å
2T54.9Low51.9Low81 Ų81125.3 Ų125.350%0.49762%0.623SS.*  trans-85.6155.2-17953.90000109.7E4 E5T2-E4 PolarHBondContact O-N 2.93Å; T2-E5 PolarHBondContact N-OE2 2.83Å; T2-E5 PolarHBondContact O-N 3.02Å
3L50.2Low52.8Low145 Ų145122.1 Ų122.176%0.75962%0.615SS**Hα-helixtrans-55.7-19.5-179.7-86.7151.4000114.1H7L3-H7 PolarHBondContact O-ND1 3.2Å; L3-H7 VanDerWaalsContact O-ND1 3.09Å
4E55.6Low53.8Low149 Ų149120.4 Ų120.470%0.69660%0.604SS**Hα-helixtrans-77.1-24.1177.9-63.3173.8120.400113.3T2T2-E4 PolarHBondContact O-N 2.93Å
5E49.4Very low55.2Low96 Ų96118.9 Ų118.945%0.44960%0.599SS.*Hα-helixtrans-78.5-34.2178.9-70.7175.413700111.9M1 T2 R8 Q9M1-E5 WeakPolarHBondContact CA-OE2 3.43Å; T2-E5 PolarHBondContact N-OE2 2.83Å; T2-E5 PolarHBondContact O-N 3.02Å; E5-R8 PolarHBondContact O-N 3.43Å; E5-Q9 PolarHBondContact O-N 3.34Å
6V51.3Low56.6Low79 Ų79116.3 Ų116.348%0.47959%0.594SS.*Hα-helixtrans-69.6-44.4179.81800000111.7R8 Q9 D10V6-R8 VanDerWaalsContact C-N 3.26Å; V6-R8 PolarHBondContact O-N 3.25Å; V6-Q9 PolarHBondContact O-N 3.07Å; V6-D10 PolarHBondContact O-N 3.15Å
7H47.8Very low58.4Low120 Ų120115.6 Ų115.656%0.55659%0.593SS**Hα-helixtrans-64.3-28.8178.2-79.984.7000113.4L3 N11L3-H7 PolarHBondContact O-ND1 3.2Å; L3-H7 VanDerWaalsContact O-ND1 3.09Å; H7-N11 WeakPolarHBondContact O-CB 3.4Å; H7-N11 PolarHBondContact O-N 3.07Å; H7-N11 PolarHBondContact O-ND2 3.32Å
8R49.3Very low59.9Low196 Ų196115.1 Ų115.174%0.7458%0.582SS**Hα-helixtrans-73.5-32.5179.4-125.2-178179.292.31.8112.2E5 V6 T12E5-R8 PolarHBondContact O-N 3.43Å; V6-R8 VanDerWaalsContact C-N 3.26Å; V6-R8 PolarHBondContact O-N 3.25Å; R8-T12 PolarHBondContact O-N 2.82Å; R8-T12 PolarHBondContact O-OG1 3.31Å
9Q46Very low61.4Low137 Ų137110.9 Ų110.964%0.6456%0.563SS**Hα-helixtrans-78.6-42.9-179.3-114.6149.7-18.400111.9E5 V6 T12 T13E5-Q9 PolarHBondContact O-N 3.34Å; V6-Q9 PolarHBondContact O-N 3.07Å; Q9-T12 PolarHBondContact O-N 2.75Å; Q9-T13 PolarHBondContact O-N 2.9Å; Q9-T13 PolarHBondContact O-OG1 3.26Å
10D52.9Low62.9Low98 Ų98109.4 Ų109.452%0.52455%0.553SS.*Hα-helixtrans-61.5-46.2174.9-80.5-29.9000111.8V6 T12 T13 E14V6-D10 PolarHBondContact O-N 3.15Å; D10-T12 VanDerWaalsContact C-N 3.27Å; D10-T12 PolarHBondContact O-N 3.42Å; D10-T13 PolarHBondContact O-N 3.23Å; D10-E14 WeakPolarHBondContact O-CG 3.11Å; D10-E14 PolarHBondContact O-N 2.92Å
11N57.9Low64.4Low100 Ų100106.7 Ų106.754%0.53555%0.545SS..Hα-helixtrans-63.1-30.6179.4-73.7-2.6000113.6H7 N15H7-N11 WeakPolarHBondContact O-CB 3.4Å; H7-N11 PolarHBondContact O-N 3.07Å; H7-N11 PolarHBondContact O-ND2 3.32Å; N11-N15 VanDerWaalsContact O-CB 3.25Å; N11-N15 WeakPolarHBondContact O-CB 3.48Å; N11-N15 PolarHBondContact O-N 2.98Å; N11-N15 VanDerWaalsContact O-N 3.16Å
12T62.1Low66.8Low96 Ų9697.1 Ų97.159%0.58950%0.499SS*.Hα-helixtrans-76.2-39.4-179-53.90000111R8 Q9 D10 S16R8-T12 PolarHBondContact O-N 2.82Å; R8-T12 PolarHBondContact O-OG1 3.31Å; Q9-T12 PolarHBondContact O-N 2.75Å; D10-T12 VanDerWaalsContact C-N 3.27Å; D10-T12 PolarHBondContact O-N 3.42Å; T12-S16 PolarHBondContact O-N 2.95Å; T12-S16 VanDerWaalsContact O-N 3.14Å
13T64.2Low68.8Low84 Ų8493.3 Ų93.352%0.51548%0.475SS..Hα-helixtrans-70.2-44.8176.7-58.80000111.3Q9 D10 N15 S16 D17Q9-T13 PolarHBondContact O-N 2.9Å; Q9-T13 PolarHBondContact O-OG1 3.26Å; D10-T13 PolarHBondContact O-N 3.23Å; T13-N15 VanDerWaalsContact C-N 3.33Å; T13-N15 PolarHBondContact O-N 2.82Å; T13-S16 WeakPolarHBondContact O-CB 3.11Å; T13-S16 PolarHBondContact O-N 3.46Å; T13-D17 PolarHBondContact O-N 3.42Å
14E66.6Low71Confident99 Ų9990.6 Ų90.646%0.46346%0.459SS..Hα-helixtrans-60.8-40.8176-72.9-171153.800112.4D10 S16 D17 R18D10-E14 WeakPolarHBondContact O-CG 3.11Å; D10-E14 PolarHBondContact O-N 2.92Å; E14-S16 VanDerWaalsContact C-N 3.34Å; E14-D17 PolarHBondContact O-N 3.15Å; E14-R18 WeakPolarHBondContact O-CG 3.29Å; E14-R18 PolarHBondContact O-N 3.43Å; E14-R18 IonicContact OE2-NH2 3.15Å
15N74.3Confident72.9Confident98 Ų9883.6 Ų83.652%0.52443%0.426SS..Hα-helixtrans-66.2-37.8177.5-16643.9000112N11 T13 R18 V19N11-N15 VanDerWaalsContact O-CB 3.25Å; N11-N15 WeakPolarHBondContact O-CB 3.48Å; N11-N15 PolarHBondContact O-N 2.98Å; N11-N15 VanDerWaalsContact O-N 3.16Å; T13-N15 VanDerWaalsContact C-N 3.33Å; T13-N15 PolarHBondContact O-N 2.82Å; N15-R18 PolarHBondContact O-N 3.28Å; N15-V19 VanDerWaalsContact O-CG2 3.28Å; N15-V19 WeakPolarHBondContact O-CG2 3.34Å; N15-V19 PolarHBondContact O-N 2.98Å
16S78.8Confident75.2Confident76 Ų7679 Ų7953%0.53140%0.404SS..Hα-helixtrans-63.7-44.2175.6-172.10000112T12 T13 E14 R18 V19 Q20T12-S16 PolarHBondContact O-N 2.95Å; T12-S16 VanDerWaalsContact O-N 3.14Å; T13-S16 WeakPolarHBondContact O-CB 3.11Å; T13-S16 PolarHBondContact O-N 3.46Å; E14-S16 VanDerWaalsContact C-N 3.34Å; S16-R18 VanDerWaalsContact C-N 3.33Å; S16-R18 PolarHBondContact O-N 2.97Å; S16-V19 PolarHBondContact O-N 3.36Å; S16-Q20 WeakPolarHBondContact O-CB 3.42Å; S16-Q20 PolarHBondContact O-N 2.85Å
17D85.6Confident77.3Confident106 Ų10677.1 Ų77.157%0.56739%0.391SS*.Hα-helixtrans-66.4-36.9179.4-69.7-22.4000111.5T13 E14 Q20 S21T13-D17 PolarHBondContact O-N 3.42Å; E14-D17 PolarHBondContact O-N 3.15Å; D17-Q20 PolarHBondContact O-N 3.4Å; D17-S21 WeakPolarHBondContact O-CB 3.42Å; D17-S21 PolarHBondContact O-N 2.98Å
18R86.7Confident79.6Confident106 Ų10676.6 Ų76.640%0.439%0.388SS..Hα-helixtrans-64.6-48.7174.9-72.5174.3-159.8-155.711.1112.5E14 N15 S16 Q20 S21 A22 E143E14-R18 WeakPolarHBondContact O-CG 3.29Å; E14-R18 PolarHBondContact O-N 3.43Å; E14-R18 IonicContact OE2-NH2 3.15Å; N15-R18 PolarHBondContact O-N 3.28Å; S16-R18 VanDerWaalsContact C-N 3.33Å; S16-R18 PolarHBondContact O-N 2.97Å; R18-Q20 VanDerWaalsContact C-N 3.27Å; R18-Q20 PolarHBondContact O-N 3.07Å; R18-S21 PolarHBondContact O-N 3.38Å; R18-A22 WeakPolarHBondContact O-CB 3.27Å; R18-A22 PolarHBondContact O-N 2.98Å; R18-E143 IonicContact CZ-OE2 2.66Å; R18-E143 IonicContact NH1-OE1 3.67Å; R18-E143 IonicContact NH1-OE2 3.86Å; R18-E143 PolarHBondContact NH1-OE2 3.18Å
19V88.6Confident81.8Confident36 Ų3667.2 Ų67.222%0.21835%0.353CS..Hα-helixtrans-61.8-39.5178.6172.70000110.7N15 S16 A22 G23 F140N15-V19 VanDerWaalsContact O-CG2 3.28Å; N15-V19 WeakPolarHBondContact O-CG2 3.34Å; N15-V19 PolarHBondContact O-N 2.98Å; S16-V19 PolarHBondContact O-N 3.36Å; V19-A22 PolarHBondContact O-N 3.44Å; V19-G23 PolarHBondContact O-N 2.65Å; V19-F140 HydrophobicContact CG2-CE2 4.11Å; V19-F140 HydrophobicContact CG2-CZ 4.39Å
20Q91.3Very high84.2Confident79 Ų7960.8 Ų60.837%0.36932%0.323SS..Hα-helixtrans-63.2-47.2174.7179.461.131.300111.8S16 D17 R18 A22 G23 E24S16-Q20 WeakPolarHBondContact O-CB 3.42Å; S16-Q20 PolarHBondContact O-N 2.85Å; D17-Q20 PolarHBondContact O-N 3.4Å; R18-Q20 VanDerWaalsContact C-N 3.27Å; R18-Q20 PolarHBondContact O-N 3.07Å; Q20-A22 VanDerWaalsContact C-N 3.31Å; Q20-A22 PolarHBondContact O-N 3.46Å; Q20-G23 PolarHBondContact O-N 3.45Å; Q20-G23 VanDerWaalsContact O-N 3.11Å; Q20-E24 PolarHBondContact NE2-OE1 3.27Å; Q20-E24 PolarHBondContact O-N 2.94Å
21S93.9Very high86.1Confident54 Ų5458.3 Ų58.338%0.37831%0.311SS..Hα-helixtrans-62.6-37.5177.3-171.30000112.5D17 R18 G23 E24 A25D17-S21 WeakPolarHBondContact O-CB 3.42Å; D17-S21 PolarHBondContact O-N 2.98Å; R18-S21 PolarHBondContact O-N 3.38Å; S21-G23 VanDerWaalsContact C-N 3.34Å; S21-E24 PolarHBondContact O-N 3.38Å; S21-A25 WeakPolarHBondContact O-CB 3.22Å; S21-A25 PolarHBondContact O-N 2.95Å
22A96.1Very high87.8Confident5 Ų554.5 Ų54.54%0.04129%0.294CS..Hα-helixtrans-65.1-37.2173.300000111.8R18 V19 Q20 A25 L26 L137 F140 I154R18-A22 WeakPolarHBondContact O-CB 3.27Å; R18-A22 PolarHBondContact O-N 2.98Å; V19-A22 PolarHBondContact O-N 3.44Å; Q20-A22 VanDerWaalsContact C-N 3.31Å; Q20-A22 PolarHBondContact O-N 3.46Å; A22-A25 PolarHBondContact O-N 2.66Å; A22-L26 WeakPolarHBondContact O-CB 3.46Å; A22-L26 PolarHBondContact O-N 2.98Å; A22-L137 HydrophobicContact CB-CD2 4.39Å; A22-L137 WeakPolarHBondContact O-CD2 3.5Å; A22-F140 HydrophobicContact CB-CB 4.31Å; A22-F140 HydrophobicContact CB-CD1 4.03Å; A22-F140 HydrophobicContact CB-CD2 3.72Å; A22-F140 HydrophobicContact CB-CE1 4.26Å; A22-F140 HydrophobicContact CB-CE2 3.97Å; A22-F140 HydrophobicContact CB-CG 3.74Å; A22-F140 HydrophobicContact CB-CZ 4.23Å; A22-I154 HydrophobicContact CB-CD1 3.93Å; A22-I154 HydrophobicContact CB-CG1 4.27Å
23G96.2Very high89.3Confident0 Ų050 Ų500%027%0.266CS..Hα-helixtrans-61.1-44.617300000113.3V19 Q20 S21 L26 E27 I154 T155 P157V19-G23 PolarHBondContact O-N 2.65Å; Q20-G23 PolarHBondContact O-N 3.45Å; Q20-G23 VanDerWaalsContact O-N 3.11Å; S21-G23 VanDerWaalsContact C-N 3.34Å; G23-L26 PolarHBondContact O-N 3.19Å; G23-E27 PolarHBondContact O-N 2.86Å; G23-E27 VanDerWaalsContact O-N 3.07Å; G23-I154 VanDerWaalsContact CA-CG2 3.43Å; G23-T155 WeakPolarHBondContact CA-O 3.2Å; G23-P157 VanDerWaalsContact C-CD 3.5Å; G23-P157 WeakPolarHBondContact O-CD 3.48Å
24E95.8Very high90.6Very high89 Ų8949.5 Ų49.542%0.41626%0.256SS..Hα-helixtrans-64.7-45.4175.8-70.8167.8-164.600111.5Q20 S21 L26 E27 E28 P157Q20-E24 PolarHBondContact NE2-OE1 3.27Å; Q20-E24 PolarHBondContact O-N 2.94Å; S21-E24 PolarHBondContact O-N 3.38Å; E24-L26 VanDerWaalsContact C-N 3.31Å; E24-L26 PolarHBondContact O-N 3.41Å; E24-E27 PolarHBondContact O-N 3.44Å; E24-E28 WeakPolarHBondContact O-CG 3.35Å; E24-E28 PolarHBondContact O-N 2.96Å; E24-P157 HydrophobicContact CG-CB 4.13Å; E24-P157 HydrophobicContact CG-CG 3.92Å
25A97Very high91.7Very high1 Ų152.9 Ų52.91%0.00827%0.27CS..Hα-helixtrans-61-39.8175.100000111.8S21 A22 E28 L29 A133 K136 L137S21-A25 WeakPolarHBondContact O-CB 3.22Å; S21-A25 PolarHBondContact O-N 2.95Å; A22-A25 PolarHBondContact O-N 2.66Å; A25-E28 PolarHBondContact O-N 3.05Å; A25-L29 VanDerWaalsContact O-CB 3.3Å; A25-L29 WeakPolarHBondContact O-CB 3.3Å; A25-L29 PolarHBondContact O-N 3.4Å; A25-A133 HydrophobicContact CB-CB 4.13Å; A25-A133 WeakPolarHBondContact O-CB 3.33Å; A25-K136 HydrophobicContact CB-CB 4.16Å; A25-K136 HydrophobicContact CB-CD 4.14Å; A25-L137 HydrophobicContact CB-CD1 4.5Å; A25-L137 HydrophobicContact CB-CD2 4.37Å; A25-L137 HydrophobicContact CB-CG 4.07Å
26L97.2Very high92.4Very high0 Ų052.1 Ų52.10%026%0.263CS..Hα-helixtrans-63.4-43.6176.9-174.459.2000111.9A22 G23 E24 L29 L30 F59 V61 V93 V95 L137 I154 L156A22-L26 WeakPolarHBondContact O-CB 3.46Å; A22-L26 PolarHBondContact O-N 2.98Å; G23-L26 PolarHBondContact O-N 3.19Å; E24-L26 VanDerWaalsContact C-N 3.31Å; E24-L26 PolarHBondContact O-N 3.41Å; L26-L29 PolarHBondContact O-N 2.84Å; L26-L30 HydrophobicContact CD1-CD1 4.22Å; L26-L30 HydrophobicContact CD1-CG 4.18Å; L26-L30 HydrophobicContact CG-CD1 4.1Å; L26-L30 HydrophobicContact CG-CG 4.46Å; L26-L30 WeakPolarHBondContact O-CB 3.28Å; L26-L30 VanDerWaalsContact O-CG 3.23Å; L26-L30 WeakPolarHBondContact O-CG 3.45Å; L26-L30 PolarHBondContact O-N 3.22Å; L26-F59 HydrophobicContact CD1-CE1 4.04Å; L26-V61 HydrophobicContact CD1-CG2 3.86Å; L26-V93 HydrophobicContact CD2-CG2 4.38Å; L26-V95 HydrophobicContact CD2-CG2 3.63Å; L26-L137 HydrophobicContact CB-CD1 4.44Å; L26-L137 HydrophobicContact CB-CD2 4.14Å; L26-L137 HydrophobicContact CD1-CD1 4.17Å; L26-I154 HydrophobicContact CB-CG2 4.44Å; L26-I154 HydrophobicContact CD2-CB 4.28Å; L26-I154 HydrophobicContact CD2-CD1 4.32Å; L26-I154 HydrophobicContact CD2-CG2 3.92Å; L26-L156 HydrophobicContact CB-CD2 4.24Å; L26-L156 HydrophobicContact CD2-CD2 3.86Å; L26-L156 HydrophobicContact CG-CD2 4.04Å
27E95.9Very high93Very high40 Ų4055.4 Ų55.419%0.18728%0.275CS..Hα-helixtrans-61.5-47.6174.3176.9167.8-179.700111.7G23 E24 L29 L30 V31 R100 L104 P157G23-E27 PolarHBondContact O-N 2.86Å; G23-E27 VanDerWaalsContact O-N 3.07Å; E24-E27 PolarHBondContact O-N 3.44Å; E27-L29 VanDerWaalsContact C-N 3.35Å; E27-L29 PolarHBondContact O-N 2.91Å; E27-L30 PolarHBondContact O-N 3.3Å; E27-V31 HydrophobicContact CG-CG2 4.4Å; E27-V31 WeakPolarHBondContact O-CB 3.48Å; E27-V31 VanDerWaalsContact O-CG2 3.28Å; E27-V31 WeakPolarHBondContact O-CG2 3.44Å; E27-V31 PolarHBondContact O-N 2.88Å; E27-R100 IonicContact OE2-CZ 2.75Å; E27-R100 IonicContact OE2-NH2 2.73Å; E27-R100 PolarHBondContact OE2-NH2 3.26Å; E27-L104 HydrophobicContact CB-CD1 4.36Å; E27-L104 HydrophobicContact CG-CD1 4.15Å; E27-L104 HydrophobicContact CG-CD2 3.79Å; E27-P157 WeakPolarHBondContact OE2-CG 3.29Å
28E95.5Very high93.3Very high108 Ų10852.3 Ų52.351%0.50526%0.255SS..Hα-helixtrans-56.3-48.5176.8-73.9178.2174.400111.5E24 A25 V31 A32 A133E24-E28 WeakPolarHBondContact O-CG 3.35Å; E24-E28 PolarHBondContact O-N 2.96Å; A25-E28 PolarHBondContact O-N 3.05Å; E28-V31 PolarHBondContact O-N 3.48Å; E28-A32 VanDerWaalsContact O-CB 3.29Å; E28-A32 WeakPolarHBondContact O-CB 3.09Å; E28-A32 PolarHBondContact O-N 2.98Å; E28-A133 HydrophobicContact CB-CB 4.14Å
29L96.2Very high93.6Very high0 Ų048.6 Ų48.60%024%0.243CC..Hα-helixtrans-60.2-50.6179.7-177.569.7000111.1A25 L26 E27 V31 A32 A33 F59 V121 W129 D131 A133 L134 L137A25-L29 VanDerWaalsContact O-CB 3.3Å; A25-L29 WeakPolarHBondContact O-CB 3.3Å; A25-L29 PolarHBondContact O-N 3.4Å; L26-L29 PolarHBondContact O-N 2.84Å; E27-L29 VanDerWaalsContact C-N 3.35Å; E27-L29 PolarHBondContact O-N 2.91Å; L29-V31 VanDerWaalsContact C-N 3.34Å; L29-V31 PolarHBondContact O-N 2.91Å; L29-A32 PolarHBondContact O-N 2.77Å; L29-A33 WeakPolarHBondContact O-CB 3.35Å; L29-A33 PolarHBondContact O-N 3.41Å; L29-F59 HydrophobicContact CD2-CB 4.38Å; L29-F59 HydrophobicContact CD2-CD1 4.25Å; L29-F59 HydrophobicContact CD2-CG 4.31Å; L29-V121 HydrophobicContact CD1-CG1 4.44Å; L29-V121 HydrophobicContact CD2-CG2 4.02Å; L29-V121 HydrophobicContact CG-CG2 4.28Å; L29-W129 HydrophobicContact CD1-CH2 3.51Å; L29-W129 HydrophobicContact CD1-CZ2 4.46Å; L29-W129 HydrophobicContact CD1-CZ3 3.58Å; L29-W129 HydrophobicContact CG-CH2 4.38Å; L29-W129 HydrophobicContact CG-CZ3 4.48Å; L29-D131 HydrophobicContact CD1-CB 4.01Å; L29-A133 HydrophobicContact CB-CB 4.03Å; L29-L134 HydrophobicContact CD1-CB 3.92Å; L29-L134 HydrophobicContact CD2-CD1 4.09Å; L29-L137 HydrophobicContact CB-CD1 4.11Å; L29-L137 HydrophobicContact CD2-CD1 3.5Å; L29-L137 HydrophobicContact CG-CD1 4.4Å
30L95Very high93.9Very high1 Ų148 Ų481%0.00524%0.24CC..Hα-helixtrans-63.1-41.5-178.3-68.9176000111.3L26 E27 K34 L39 L101 L104 I119 V121L26-L30 HydrophobicContact CD1-CD1 4.22Å; L26-L30 HydrophobicContact CD1-CG 4.18Å; L26-L30 HydrophobicContact CG-CD1 4.1Å; L26-L30 HydrophobicContact CG-CG 4.46Å; L26-L30 WeakPolarHBondContact O-CB 3.28Å; L26-L30 VanDerWaalsContact O-CG 3.23Å; L26-L30 WeakPolarHBondContact O-CG 3.45Å; L26-L30 PolarHBondContact O-N 3.22Å; E27-L30 PolarHBondContact O-N 3.3Å; L30-K34 WeakPolarHBondContact O-CB 3.39Å; L30-K34 PolarHBondContact O-N 2.93Å; L30-L39 HydrophobicContact CD2-CD2 3.94Å; L30-L39 WeakPolarHBondContact O-CD1 3.38Å; L30-L101 HydrophobicContact CD1-CD1 3.49Å; L30-L101 VanDerWaalsContact CD1-CD1 3.49Å; L30-L104 HydrophobicContact CD1-CD1 4.44Å; L30-I119 HydrophobicContact CD2-CG2 3.98Å; L30-V121 HydrophobicContact CD2-CG2 4.35Å
31V93.8Very high94Very high46 Ų4645 Ų4528%0.27923%0.227SC..Hα-helixtrans-65.3-41.7177.1170.70000111.5E27 E28 L29 K35 L104E27-V31 HydrophobicContact CG-CG2 4.4Å; E27-V31 WeakPolarHBondContact O-CB 3.48Å; E27-V31 VanDerWaalsContact O-CG2 3.28Å; E27-V31 WeakPolarHBondContact O-CG2 3.44Å; E27-V31 PolarHBondContact O-N 2.88Å; E28-V31 PolarHBondContact O-N 3.48Å; L29-V31 VanDerWaalsContact C-N 3.34Å; L29-V31 PolarHBondContact O-N 2.91Å; V31-K35 HydrophobicContact CG1-CD 4.43Å; V31-K35 WeakPolarHBondContact O-CG 3.45Å; V31-K35 PolarHBondContact O-N 3.38Å; V31-L104 HydrophobicContact CG2-CD2 4.13Å
32A93.4Very high94Very high21 Ų2142.7 Ų42.717%0.17421%0.212CC..Hα-helixtrans-71.1-41-179.700000112.1E28 L29 K35 Q36 W129E28-A32 VanDerWaalsContact O-CB 3.29Å; E28-A32 WeakPolarHBondContact O-CB 3.09Å; E28-A32 PolarHBondContact O-N 2.98Å; L29-A32 PolarHBondContact O-N 2.77Å; A32-K35 PolarHBondContact O-N 3.39Å; A32-Q36 PolarHBondContact O-N 3Å; A32-W129 HydrophobicContact CB-CH2 3.95Å; A32-W129 HydrophobicContact CB-CZ2 3.58Å
33A93.1Very high94Very high0 Ų043 Ų430%021%0.213CC..Hα-helixtrans-62.7-43.717600000110.9L29 K35 Q36 D37 Y38 L39 V121 W129L29-A33 WeakPolarHBondContact O-CB 3.35Å; L29-A33 PolarHBondContact O-N 3.41Å; A33-K35 VanDerWaalsContact C-N 3.35Å; A33-K35 PolarHBondContact O-N 2.84Å; A33-Q36 CarbonylContact O-C 3.58Å; A33-Q36 PolarHBondContact O-N 3.41Å; A33-Q36 VanDerWaalsContact O-N 3.15Å; A33-D37 PolarHBondContact O-N 3.05Å; A33-D37 VanDerWaalsContact O-N 3.07Å; A33-Y38 PolarHBondContact O-N 3.31Å; A33-L39 HydrophobicContact CB-CD1 4.43Å; A33-L39 HydrophobicContact CB-CD2 3.47Å; A33-L39 VanDerWaalsContact CB-CD2 3.47Å; A33-L39 HydrophobicContact CB-CG 3.63Å; A33-V121 HydrophobicContact CB-CG1 4.22Å; A33-V121 HydrophobicContact CB-CG2 4.46Å; A33-W129 VanDerWaalsContact CA-CH2 3.47Å; A33-W129 HydrophobicContact CB-CH2 3.56Å; A33-W129 HydrophobicContact CB-CZ3 3.55Å; A33-W129 VanDerWaalsContact N-CH2 3.26Å
34K91.5Very high93.8Very high74 Ų7450.7 Ų50.732%0.32224%0.243SC..Hα-helixtrans-58.1-45.8176.5-174-177.6-179.3-176.70112.1L30 Q36 D37 L39 L104 R106L30-K34 WeakPolarHBondContact O-CB 3.39Å; L30-K34 PolarHBondContact O-N 2.93Å; K34-Q36 PolarHBondContact O-N 3.22Å; K34-D37 PolarHBondContact O-N 2.85Å; K34-L39 HydrophobicContact CB-CD1 3.67Å; K34-L39 HydrophobicContact CB-CG 4.41Å; K34-L39 HydrophobicContact CG-CD1 4.36Å; K34-L104 WeakPolarHBondContact CD-O 3.42Å; K34-L104 PolarHBondContact NZ-O 3.29Å; K34-R106 WeakPolarHBondContact CE-O 3.26Å; K34-R106 PolarHBondContact NZ-O 2.61Å
35K90.3Very high93.8Very high170 Ų17051.2 Ų51.274%0.73925%0.246SC*.Hα-helixtrans-62.1-27.2179.2-75.2171-177.4173.30113.1V31 A32 A33V31-K35 HydrophobicContact CG1-CD 4.43Å; V31-K35 WeakPolarHBondContact O-CG 3.45Å; V31-K35 PolarHBondContact O-N 3.38Å; A32-K35 PolarHBondContact O-N 3.39Å; A33-K35 VanDerWaalsContact C-N 3.35Å; A33-K35 PolarHBondContact O-N 2.84Å
36Q88.9Confident93.7Very high83 Ų8351.1 Ų51.139%0.38825%0.245SC..THydrogen-bonded Turntrans-100.84.8-178.7-67.5-179.169.300113.3A32 A33 K34 Y38A32-Q36 PolarHBondContact O-N 3Å; A33-Q36 CarbonylContact O-C 3.58Å; A33-Q36 PolarHBondContact O-N 3.41Å; A33-Q36 VanDerWaalsContact O-N 3.15Å; K34-Q36 PolarHBondContact O-N 3.22Å; Q36-Y38 VanDerWaalsContact C-N 3.28Å; Q36-Y38 HydrophobicContact CB-CD2 3.74Å; Q36-Y38 HydrophobicContact CB-CE2 3.85Å; Q36-Y38 HydrophobicContact CB-CG 4.13Å; Q36-Y38 WeakPolarHBondContact O-CD1 3.36Å; Q36-Y38 PolarHBondContact O-N 3.46Å
37D90.3Very high93.6Very high145 Ų14552.6 Ų52.678%0.77526%0.257SS*.THydrogen-bonded Turntrans59.236.3-176.9-156.839.9000113.6A33 K34A33-D37 PolarHBondContact O-N 3.05Å; A33-D37 VanDerWaalsContact O-N 3.07Å; K34-D37 PolarHBondContact O-N 2.85Å
38Y93.1Very high93.6Very high40 Ų4058 Ų5816%0.15728%0.28CS..  trans-102.215.9178.2-66.3-18.6000113.2A33 Q36 V121 T122 P124 W129A33-Y38 PolarHBondContact O-N 3.31Å; Q36-Y38 VanDerWaalsContact C-N 3.28Å; Q36-Y38 HydrophobicContact CB-CD2 3.74Å; Q36-Y38 HydrophobicContact CB-CE2 3.85Å; Q36-Y38 HydrophobicContact CB-CG 4.13Å; Q36-Y38 WeakPolarHBondContact O-CD1 3.36Å; Q36-Y38 PolarHBondContact O-N 3.46Å; Y38-V121 WeakPolarHBondContact O-CA 3.44Å; Y38-T122 WeakPolarHBondContact CB-O 3.36Å; Y38-T122 PolarHBondContact O-N 3.41Å; Y38-T122 PolarHBondContact O-OG1 2.91Å; Y38-P124 HydrophobicContact CD1-CG 4.29Å; Y38-P124 HydrophobicContact CE1-CG 3.67Å; Y38-W129 HydrophobicContact CD2-CB 4.05Å; Y38-W129 AromaticContact CD2-CD2 3.79Å; Y38-W129 HydrophobicContact CD2-CD2 3.79Å; Y38-W129 AromaticContact CD2-CE3 3.84Å; Y38-W129 HydrophobicContact CD2-CE3 3.84Å; Y38-W129 AromaticContact CD2-CG 3.89Å; Y38-W129 HydrophobicContact CD2-CG 3.89Å; Y38-W129 HydrophobicContact CE2-CB 3.78Å; Y38-W129 HydrophobicContact CE2-CD2 4.2Å; Y38-W129 AromaticContact CE2-CG 3.81Å; Y38-W129 HydrophobicContact CE2-CG 3.81Å
39L93.4Very high93.6Very high28 Ų2854.4 Ų54.415%0.14727%0.265CS..EExtended strand (participates in β ladder)trans-105.6129.8176.4-71.7-173.8000111.8L30 A33 K34 V105 I119 L120 V121L30-L39 HydrophobicContact CD2-CD2 3.94Å; L30-L39 WeakPolarHBondContact O-CD1 3.38Å; A33-L39 HydrophobicContact CB-CD1 4.43Å; A33-L39 HydrophobicContact CB-CD2 3.47Å; A33-L39 VanDerWaalsContact CB-CD2 3.47Å; A33-L39 HydrophobicContact CB-CG 3.63Å; K34-L39 HydrophobicContact CB-CD1 3.67Å; K34-L39 HydrophobicContact CB-CG 4.41Å; K34-L39 HydrophobicContact CG-CD1 4.36Å; L39-V105 HydrophobicContact CD1-CG1 4.13Å; L39-I119 HydrophobicContact CD2-CG2 3.78Å; L39-L120 WeakPolarHBondContact CA-O 3.28Å; L39-V121 HydrophobicContact CD2-CG2 3.76Å
40T94.3Very high93.5Very high25 Ų2554.7 Ų54.715%0.15327%0.267CS..EExtended strand (participates in β ladder)trans-106.5127161.4-57.60000108E45 V49 I119 L120T40-E45 HydrophobicContact CG2-CB 3.53Å; T40-V49 HydrophobicContact CG2-CG2 3.99Å; T40-I119 CarbonylContact O-C 3.52Å; T40-I119 VanDerWaalsContact O-CA 3.22Å; T40-I119 WeakPolarHBondContact O-CA 3.14Å; T40-L120 PolarHBondContact N-O 3.45Å; T40-L120 PolarHBondContact O-N 3.39Å
41V94.4Very high93.5Very high14 Ų1460.8 Ų60.89%0.08530%0.299CS..EExtended strand (participates in β ladder)trans-121.6127.4-178-175.80000108.7V105 K114 P116 I119V41-V105 HydrophobicContact CG1-CG2 4.08Å; V41-V105 HydrophobicContact CG2-CB 4.03Å; V41-V105 HydrophobicContact CG2-CG1 4.47Å; V41-V105 HydrophobicContact CG2-CG2 4.2Å; V41-K114 HydrophobicContact CB-CD 4.15Å; V41-K114 HydrophobicContact CG1-CB 3.98Å; V41-K114 HydrophobicContact CG1-CD 4.41Å; V41-P116 HydrophobicContact CG1-CB 4.22Å; V41-I119 HydrophobicContact CG1-CG1 4.26Å; V41-I119 HydrophobicContact CG2-CG1 4.34Å; V41-I119 HydrophobicContact CG2-CG2 4.48Å
42G93.7Very high93.5Very high6 Ų664.1 Ų64.16%0.06232%0.319CS..SBendtrans118.1145.7-178.600000111.9E45 S46 C118G42-E45 WeakPolarHBondContact CA-OE2 3.36Å; G42-S46 WeakPolarHBondContact O-CB 3.48Å; G42-S46 PolarHBondContact O-N 3.43Å; G42-S46 PolarHBondContact O-OG 3.39Å; G42-C118 PolarHBondContact N-O 3.42Å
43V94.6Very high93.5Very high12 Ų1266.2 Ų66.27%0.07333%0.328CS..Hα-helixtrans-62.6-46-178.7168.30000111.6A47 L74 H77 F78 I81 H117 C118V43-A47 WeakPolarHBondContact O-CB 3.44Å; V43-A47 PolarHBondContact O-N 3.4Å; V43-L74 HydrophobicContact CG2-CD1 3.96Å; V43-H77 HydrophobicContact CG1-CB 3.52Å; V43-F78 HydrophobicContact CG2-CE1 4.16Å; V43-I81 HydrophobicContact CG1-CD1 4.02Å; V43-H117 HydrophobicContact CG2-CB 3.7Å; V43-C118 HydrophobicContact CB-CB 4.49Å; V43-C118 HydrophobicContact CG2-CB 3.89Å
44Y93.5Very high93.5Very high162 Ų16267.9 Ų67.964%0.63534%0.339SS*.Hα-helixtrans-72.4-41.3-176.2-66.9-77.5000112S46 A47 K48 H77Y44-S46 VanDerWaalsContact C-N 3.34Å; Y44-A47 PolarHBondContact O-N 3.06Å; Y44-K48 WeakPolarHBondContact O-CB 3.37Å; Y44-K48 PolarHBondContact O-N 3.07Å; Y44-H77 AromaticContact CE1-CE1 3.97Å; Y44-H77 AromaticContact CZ-NE2 3.96Å
45E94.1Very high93.5Very high99 Ų9971.2 Ų71.246%0.46336%0.36SS..Hα-helixtrans-62.8-44.2176.8-67.267.8-154.200110.3T40 G42 K48 V49T40-E45 HydrophobicContact CG2-CB 3.53Å; G42-E45 WeakPolarHBondContact CA-OE2 3.36Å; E45-K48 WeakPolarHBondContact O-CB 3.4Å; E45-K48 PolarHBondContact O-N 2.86Å; E45-V49 PolarHBondContact O-N 3.11Å
46S95.6Very high93.6Very high0 Ų063.7 Ų63.70%033%0.329CS..Hα-helixtrans-61.7-48176.3-61.70000111.4G42 Y44 K48 V49 M50 C118 L120G42-S46 WeakPolarHBondContact O-CB 3.48Å; G42-S46 PolarHBondContact O-N 3.43Å; G42-S46 PolarHBondContact O-OG 3.39Å; Y44-S46 VanDerWaalsContact C-N 3.34Å; S46-K48 VanDerWaalsContact C-N 3.25Å; S46-K48 PolarHBondContact O-N 3.42Å; S46-V49 PolarHBondContact O-N 3.01Å; S46-M50 WeakPolarHBondContact O-CG 3.34Å; S46-M50 PolarHBondContact O-N 2.73Å; S46-C118 WeakPolarHBondContact CB-SG 3.49Å; S46-C118 PolarHBondContact OG-SG 3.22Å; S46-C118 VanDerWaalsContact OG-SG 3.4Å; S46-L120 WeakPolarHBondContact O-CD1 3.23Å
47A95.3Very high93.9Very high30 Ų3060.3 Ų60.325%0.24831%0.314CS..Hα-helixtrans-60.4-35175.400000112.3V43 Y44 N51V43-A47 WeakPolarHBondContact O-CB 3.44Å; V43-A47 PolarHBondContact O-N 3.4Å; Y44-A47 PolarHBondContact O-N 3.06Å; A47-N51 WeakPolarHBondContact O-CB 3.43Å; A47-N51 PolarHBondContact O-N 2.75Å; A47-N51 PolarHBondContact O-ND2 3.07Å
48K95.3Very high94.1Very high153 Ų15354.6 Ų54.667%0.66529%0.287SS*.Hα-helixtrans-66-44.1175.9-175.3-179178.2-175.50111.7Y44 E45 S46 N51 V52Y44-K48 WeakPolarHBondContact O-CB 3.37Å; Y44-K48 PolarHBondContact O-N 3.07Å; E45-K48 WeakPolarHBondContact O-CB 3.4Å; E45-K48 PolarHBondContact O-N 2.86Å; S46-K48 VanDerWaalsContact C-N 3.25Å; S46-K48 PolarHBondContact O-N 3.42Å; K48-N51 PolarHBondContact O-N 2.97Å; K48-V52 VanDerWaalsContact O-CG2 3.31Å; K48-V52 WeakPolarHBondContact O-CG2 3.38Å; K48-V52 PolarHBondContact O-N 3.36Å
49V95.4Very high94.3Very high34 Ų3452.7 Ų52.721%0.20628%0.279CS..Hα-helixtrans-61.2-49.5176.1171.60000110.4T40 E45 S46 N51 V52 D53 V57 L120 T122T40-V49 HydrophobicContact CG2-CG2 3.99Å; E45-V49 PolarHBondContact O-N 3.11Å; S46-V49 PolarHBondContact O-N 3.01Å; V49-N51 VanDerWaalsContact C-N 3.25Å; V49-N51 PolarHBondContact O-N 3.16Å; V49-V52 PolarHBondContact O-N 3.41Å; V49-D53 PolarHBondContact O-N 2.83Å; V49-V57 HydrophobicContact CG1-CG2 3.97Å; V49-L120 HydrophobicContact CB-CD1 4.19Å; V49-L120 HydrophobicContact CG1-CD1 4.3Å; V49-T122 HydrophobicContact CG1-CG2 4.04Å
50M95.1Very high94.5Very high6 Ų651.3 Ų51.33%0.0327%0.272CS..Hα-helixtrans-56.1-37.3177.2-73.7-176.9-175.900113.4S46 P54 V57 I81 F84 L120S46-M50 WeakPolarHBondContact O-CG 3.34Å; S46-M50 PolarHBondContact O-N 2.73Å; M50-P54 WeakPolarHBondContact O-CD 3.39Å; M50-V57 HydrophobicContact CG-CG2 4.44Å; M50-I81 HydrophobicContact CE-CG2 3.82Å; M50-I81 HydrophobicContact SD-CG2 4.34Å; M50-F84 HydrophobicContact CB-CD1 3.88Å; M50-F84 HydrophobicContact CB-CE1 3.51Å; M50-F84 HydrophobicContact CB-CE2 4.34Å; M50-F84 HydrophobicContact CB-CG 4.44Å; M50-F84 HydrophobicContact CB-CZ 3.76Å; M50-F84 HydrophobicContact CE-CD1 4.41Å; M50-F84 HydrophobicContact CG-CD1 3.74Å; M50-F84 HydrophobicContact CG-CE1 3.65Å; M50-F84 HydrophobicContact CG-CZ 4.41Å; M50-F84 VanDerWaalsContact O-CZ 3.24Å; M50-F84 WeakPolarHBondContact O-CZ 3.32Å; M50-F84 HydrophobicContact SD-CB 4.21Å; M50-F84 HydrophobicContact SD-CD1 3.37Å; M50-F84 WeakPolarHBondContact SD-CD1 3.46Å; M50-F84 HydrophobicContact SD-CE1 3.96Å; M50-F84 HydrophobicContact SD-CG 3.89Å; M50-L120 HydrophobicContact CE-CD1 3.77Å; M50-L120 HydrophobicContact CE-CD2 3.37Å; M50-L120 HydrophobicContact CE-CG 4.19Å; M50-L120 HydrophobicContact CG-CD1 3.97Å
51N94.3Very high94.7Very high129 Ų12950.1 Ų50.169%0.6927%0.265SS*.Hα-helixtrans-73.7-25.1177.4-81.9-58000113.9A47 K48 V49A47-N51 WeakPolarHBondContact O-CB 3.43Å; A47-N51 PolarHBondContact O-N 2.75Å; A47-N51 PolarHBondContact O-ND2 3.07Å; K48-N51 PolarHBondContact O-N 2.97Å; V49-N51 VanDerWaalsContact C-N 3.25Å; V49-N51 PolarHBondContact O-N 3.16Å
52V94.9Very high94.8Very high115 Ų11549.5 Ų49.570%0.69726%0.261SS*.Hα-helixtrans-95.3-47-175172.60000111.5K48 V49K48-V52 VanDerWaalsContact O-CG2 3.31Å; K48-V52 WeakPolarHBondContact O-CG2 3.38Å; K48-V52 PolarHBondContact O-N 3.36Å; V49-V52 PolarHBondContact O-N 3.41Å
53D92.8Very high94.9Very high65 Ų6549.2 Ų49.235%0.34826%0.258SS..  trans-149.876.5-173.9-171.33.8000110.9V49 D55 S56V49-D53 PolarHBondContact O-N 2.83Å; D53-D55 VanDerWaalsContact C-N 3.27Å; D53-D55 PolarHBondContact O-N 3.5Å; D53-S56 PolarHBondContact O-N 2.91Å; D53-S56 PolarHBondContact O-OG 3.5Å; D53-S56 PolarHBondContact OD1-N 3.03Å; D53-S56 WeakPolarHBondContact OD2-CB 3.43Å
54P92.6Very high94.8Very high35 Ų3550 Ų5023%0.22726%0.262CS..G310 helixtrans-64.5-30.9179.323.4-31000113.8M50 S56 V57 F84M50-P54 WeakPolarHBondContact O-CD 3.39Å; P54-S56 PolarHBondContact O-N 3.45Å; P54-V57 WeakPolarHBondContact O-CB 3.48Å; P54-V57 PolarHBondContact O-N 3.04Å; P54-F84 HydrophobicContact CB-CE1 3.78Å; P54-F84 HydrophobicContact CB-CZ 3.65Å; P54-F84 HydrophobicContact CG-CZ 4.34Å
55D91.4Very high94.5Very high144 Ų14443.9 Ų43.977%0.7724%0.241SC*.G310 helixtrans-65.3-20.5179.9-64-29000112D53 V57D53-D55 VanDerWaalsContact C-N 3.27Å; D53-D55 PolarHBondContact O-N 3.5Å; D55-V57 VanDerWaalsContact C-N 3.31Å
56S92.8Very high94.1Very high13 Ų1347.1 Ų47.19%0.09126%0.256CS..G310 helixtrans-77.3-13.6173.875.90000113.9D53 P54 T122 S123D53-S56 PolarHBondContact O-N 2.91Å; D53-S56 PolarHBondContact O-OG 3.5Å; D53-S56 PolarHBondContact OD1-N 3.03Å; D53-S56 WeakPolarHBondContact OD2-CB 3.43Å; P54-S56 PolarHBondContact O-N 3.45Å; S56-T122 CarbonylContact O-C 3.05Å; S56-T122 WeakPolarHBondContact O-CA 3.21Å; S56-T122 WeakPolarHBondContact O-CB 3.36Å; S56-S123 PolarHBondContact O-N 2.9Å
57V95.1Very high93.6Very high12 Ų1253.7 Ų53.77%0.07329%0.287CS..EExtended strand (participates in β ladder)trans-86.1119.6-174.3-175.20000109.8V49 M50 P54 D55 I90 L120V49-V57 HydrophobicContact CG1-CG2 3.97Å; M50-V57 HydrophobicContact CG-CG2 4.44Å; P54-V57 WeakPolarHBondContact O-CB 3.48Å; P54-V57 PolarHBondContact O-N 3.04Å; D55-V57 VanDerWaalsContact C-N 3.31Å; V57-I90 HydrophobicContact CB-CD1 3.8Å; V57-I90 HydrophobicContact CB-CG1 4.4Å; V57-I90 HydrophobicContact CG1-CD1 3.89Å; V57-I90 HydrophobicContact CG1-CG1 4.38Å; V57-I90 HydrophobicContact CG1-CG2 3.85Å; V57-L120 HydrophobicContact CG1-CB 4.36Å; V57-L120 HydrophobicContact CG1-CD1 4.3Å; V57-L120 HydrophobicContact CG1-CD2 4.11Å; V57-L120 HydrophobicContact CG1-CG 4.48Å; V57-L120 HydrophobicContact CG2-CD1 4.15Å
58A94.9Very high93.1Very high24 Ų2455.4 Ų55.420%0.19829%0.287CS..EExtended strand (participates in β ladder)trans-99.5-30.7-177.900000113.1V121 L134A58-V121 PolarHBondContact N-O 2.63Å; A58-L134 HydrophobicContact CB-CD1 4.48Å; A58-L134 HydrophobicContact CB-CD2 3.96Å
59F97.1Very high92.5Very high0 Ų054.3 Ų54.30%029%0.285CS..EExtended strand (participates in β ladder)trans-157.2147-177.6-156.3-100.5000111.6L26 L29 V61 N91 V93 L120 V121 L134 L137L26-F59 HydrophobicContact CD1-CE1 4.04Å; L29-F59 HydrophobicContact CD2-CB 4.38Å; L29-F59 HydrophobicContact CD2-CD1 4.25Å; L29-F59 HydrophobicContact CD2-CG 4.31Å; F59-V61 HydrophobicContact CD1-CG2 4.12Å; F59-V61 HydrophobicContact CE1-CG2 4.15Å; F59-N91 HydrophobicContact CD2-CB 3.63Å; F59-N91 HydrophobicContact CE2-CB 3.57Å; F59-V93 HydrophobicContact CE1-CG1 4.13Å; F59-V93 HydrophobicContact CE1-CG2 3.65Å; F59-V93 HydrophobicContact CZ-CB 4.45Å; F59-V93 HydrophobicContact CZ-CG1 3.59Å; F59-V93 HydrophobicContact CZ-CG2 4.01Å; F59-L120 WeakPolarHBondContact O-CA 3.38Å; F59-V121 HydrophobicContact CB-CB 3.99Å; F59-V121 HydrophobicContact CB-CG2 4.3Å; F59-V121 PolarHBondContact N-O 2.78Å; F59-V121 PolarHBondContact O-N 2.9Å; F59-L134 HydrophobicContact CB-CD1 3.77Å; F59-L134 HydrophobicContact CD2-CD1 3.88Å; F59-L134 HydrophobicContact CG-CD1 4.11Å; F59-L137 HydrophobicContact CD2-CB 4.42Å; F59-L137 HydrophobicContact CE1-CD1 4.28Å; F59-L137 HydrophobicContact CE2-CB 3.61Å; F59-L137 HydrophobicContact CE2-CD1 4.48Å; F59-L137 HydrophobicContact CZ-CB 3.76Å; F59-L137 HydrophobicContact CZ-CD1 4.13Å; F59-L137 HydrophobicContact CZ-CD2 4.16Å; F59-L137 HydrophobicContact CZ-CG 4.25Å
60C98.1Very high92.2Very high0 Ų058.4 Ų58.40%031%0.314CS..EExtended strand (participates in β ladder)trans-125.3134.9178.5-179.50000111.6I90 N91 V92 V93 L120C60-I90 HydrophobicContact CB-CG2 4.15Å; C60-N91 PolarHBondContact N-O 3.25Å; C60-V92 HydrophobicContact CB-CB 4.1Å; C60-V92 HydrophobicContact CB-CG2 4.04Å; C60-V92 VanDerWaalsContact O-CA 3.29Å; C60-V92 WeakPolarHBondContact O-CA 3.38Å; C60-V93 PolarHBondContact O-N 3.42Å; C60-L120 HydrophobicContact CB-CD2 3.73Å
61V98.1Very high92.1Very high0 Ų061.5 Ų61.50%033%0.33CS..EExtended strand (participates in β ladder)trans-117.8131.4172.6-174.40000108.5L26 F59 V93 V95 L101 C118 I119L26-V61 HydrophobicContact CD1-CG2 3.86Å; F59-V61 HydrophobicContact CD1-CG2 4.12Å; F59-V61 HydrophobicContact CE1-CG2 4.15Å; V61-V93 HydrophobicContact CG1-CG2 4.35Å; V61-V93 HydrophobicContact CG2-CG2 4.17Å; V61-V95 HydrophobicContact CG1-CB 4.29Å; V61-V95 HydrophobicContact CG1-CG2 3.73Å; V61-L101 HydrophobicContact CG1-CD2 4.31Å; V61-C118 CarbonylContact O-C 3.42Å; V61-C118 VanDerWaalsContact O-CA 3.29Å; V61-C118 WeakPolarHBondContact O-CA 3.39Å; V61-I119 HydrophobicContact CB-CB 4.21Å; V61-I119 PolarHBondContact N-O 2.97Å; V61-I119 PolarHBondContact O-N 2.77Å
62L97.2Very high92.1Very high1 Ų161.5 Ų61.51%0.00533%0.329CS..EExtended strand (participates in β ladder)trans-114.8130171.9-64.5172.5000109.2F78 I81 Q82 V92 V93 R94 V95 H117 C118L62-F78 HydrophobicContact CD2-CD1 3.86Å; L62-F78 HydrophobicContact CD2-CE1 4Å; L62-F78 HydrophobicContact CD2-CG 4.41Å; L62-I81 HydrophobicContact CD2-CB 4.49Å; L62-I81 HydrophobicContact CD2-CD1 4.48Å; L62-I81 HydrophobicContact CD2-CG2 3.97Å; L62-Q82 HydrophobicContact CD1-CG 3.43Å; L62-Q82 VanDerWaalsContact CD1-CG 3.43Å; L62-Q82 VanDerWaalsContact CD1-NE2 3.27Å; L62-V92 HydrophobicContact CD1-CG2 3.85Å; L62-V92 HydrophobicContact CG-CG2 4.12Å; L62-V93 PolarHBondContact N-O 3.23Å; L62-R94 CarbonylContact O-C 3.53Å; L62-R94 VanDerWaalsContact O-CA 3.28Å; L62-R94 WeakPolarHBondContact O-CA 3.46Å; L62-V95 PolarHBondContact O-N 3.41Å; L62-H117 WeakPolarHBondContact CA-O 3.11Å; L62-C118 HydrophobicContact CD2-CB 3.96Å
63A94.9Very high92Very high0 Ų058.7 Ų58.70%032%0.317CS..EExtended strand (participates in β ladder)trans-129.6129.9-176.700000112.8F78 V95 M98 L101 P116 H117A63-F78 WeakPolarHBondContact O-CZ 3.18Å; A63-V95 VanDerWaalsContact CA-O 3.22Å; A63-V95 WeakPolarHBondContact CA-O 3.39Å; A63-V95 HydrophobicContact CB-CB 4.44Å; A63-M98 HydrophobicContact CB-CG 3.93Å; A63-L101 HydrophobicContact CB-CD2 3.3Å; A63-P116 WeakPolarHBondContact CB-O 3.31Å; A63-H117 PolarHBondContact N-O 3.45Å; A63-H117 WeakPolarHBondContact O-CA 3.34Å; A63-H117 PolarHBondContact O-ND1 2.68Å
64T91.7Very high92.1Very high27 Ų2756.2 Ų56.217%0.16630%0.304CS..  trans-149130.8177-177.60000109.2F78 V95T64-F78 HydrophobicContact CG2-CE2 3.88Å; T64-V95 PolarHBondContact N-O 3.28Å
65D88.4Confident92.1Very high35 Ų3557.1 Ų57.119%0.18731%0.306CS..  trans-89.5168.5167.3-68.9-0.3000109.5E67 Y68 M98D65-E67 HydrophobicContact CB-CG 4.39Å; D65-E67 PolarHBondContact O-N 2.86Å; D65-E67 VanDerWaalsContact O-N 3.12Å; D65-Y68 HydrophobicContact CB-CD2 4.45Å; D65-Y68 PolarHBondContact O-N 3.24Å; D65-M98 HydrophobicContact CB-CG 4.5Å; D65-M98 HydrophobicContact CB-SD 4.16Å; D65-M98 PolarHBondContact N-SD 3.48Å; D65-M98 VanDerWaalsContact N-SD 3.42Å; D65-M98 WeakPolarHBondContact OD1-CB 3.42Å; D65-M98 WeakPolarHBondContact OD1-CG 3.31Å; D65-M98 PolarHBondContact OD1-N 2.81Å; D65-M98 WeakPolarHBondContact OD2-CB 3.24Å
66E85.3Confident92.4Very high166 Ų16654.8 Ų54.878%0.77629%0.292SS*.G310 helixtrans-55-30.4-179.8-64.8-179.4179.300112.7Y68 E69E66-Y68 PolarHBondContact O-N 3Å; E66-E69 PolarHBondContact O-N 3.35Å
67E84.5Confident92.5Very high139 Ų13956.5 Ų56.565%0.6530%0.298SS*.G310 helixtrans-66-24.2-179.471.5-179.9170.400113.6D65D65-E67 HydrophobicContact CB-CG 4.39Å; D65-E67 PolarHBondContact O-N 2.86Å; D65-E67 VanDerWaalsContact O-N 3.12Å
68Y85.2Confident92.5Very high65 Ų6556 Ų5626%0.25530%0.295SS..G310 helixtrans-102.71.5-178.7-57.8-79.7000113.7D65 E66 C70 D71 L74 Q75 M98 H117D65-Y68 HydrophobicContact CB-CD2 4.45Å; D65-Y68 PolarHBondContact O-N 3.24Å; E66-Y68 PolarHBondContact O-N 3Å; Y68-C70 PolarHBondContact O-N 3.19Å; Y68-D71 WeakPolarHBondContact O-CB 3.45Å; Y68-D71 PolarHBondContact O-N 3.23Å; Y68-L74 HydrophobicContact CD1-CD2 4.42Å; Y68-L74 HydrophobicContact CG-CD2 4.23Å; Y68-Q75 PolarHBondContact O-NE2 2.64Å; Y68-M98 HydrophobicContact CD2-CE 4.38Å; Y68-M98 HydrophobicContact CD2-SD 3.78Å; Y68-M98 HydrophobicContact CE2-CE 3.93Å; Y68-M98 HydrophobicContact CE2-SD 3.8Å; Y68-H117 AromaticContact CD1-CE1 3.86Å; Y68-H117 AromaticContact CD1-NE2 3.95Å; Y68-H117 AromaticContact CD2-CE1 3.54Å; Y68-H117 AromaticContact CE1-NE2 3.89Å; Y68-H117 AromaticContact CE2-CE1 3.74Å; Y68-H117 AromaticContact CG-CE1 3.62Å
69E82.4Confident92.6Very high131 Ų13159 Ų5961%0.61231%0.312SS*.THydrogen-bonded Turntrans-62.1-30.8177.6-70.9-173.2160.600112.3E66E66-E69 PolarHBondContact O-N 3.35Å
70C88.9Confident92.6Very high120 Ų12064.3 Ų64.381%0.81134%0.339SS*.THydrogen-bonded Turntrans-85.4-4.3177-64.10000113.9Y68 I72Y68-C70 PolarHBondContact O-N 3.19Å; C70-I72 PolarHBondContact O-N 2.99Å; C70-I72 VanDerWaalsContact O-N 3.08Å
71D93.3Very high92.6Very high70 Ų7064.6 Ų64.637%0.37434%0.341SS..  trans-78.694.8177.4-171-28.6000110.4Y68 A73 L74 Q75Y68-D71 WeakPolarHBondContact O-CB 3.45Å; Y68-D71 PolarHBondContact O-N 3.23Å; D71-A73 PolarHBondContact O-N 3.19Å; D71-A73 WeakPolarHBondContact OD1-CA 3.42Å; D71-A73 WeakPolarHBondContact OD1-CB 3.4Å; D71-A73 PolarHBondContact OD1-N 3.02Å; D71-L74 HydrophobicContact CB-CB 3.9Å; D71-L74 PolarHBondContact O-N 3.3Å; D71-L74 PolarHBondContact OD1-N 3.19Å; D71-Q75 WeakPolarHBondContact O-CG 3.41Å; D71-Q75 PolarHBondContact O-N 2.87Å
72I94.4Very high92.5Very high129 Ų12965.7 Ų65.766%0.66235%0.346SS*.Hα-helixtrans-57.7-37.7-179.7-59.1175.5000111.5C70 Q75 I76C70-I72 PolarHBondContact O-N 2.99Å; C70-I72 VanDerWaalsContact O-N 3.08Å; I72-Q75 PolarHBondContact O-N 3.4Å; I72-I76 HydrophobicContact CG2-CD1 3.89Å; I72-I76 HydrophobicContact CG2-CG1 4.39Å; I72-I76 VanDerWaalsContact O-CG1 3.23Å; I72-I76 WeakPolarHBondContact O-CG1 3.49Å; I72-I76 PolarHBondContact O-N 3.01Å
73A93.8Very high92.5Very high56 Ų5667.6 Ų67.646%0.46336%0.362SS..Hα-helixtrans-66.7-44.6-178.600000110.3D71 I76 H77D71-A73 PolarHBondContact O-N 3.19Å; D71-A73 WeakPolarHBondContact OD1-CA 3.42Å; D71-A73 WeakPolarHBondContact OD1-CB 3.4Å; D71-A73 PolarHBondContact OD1-N 3.02Å; A73-I76 PolarHBondContact O-N 3.34Å; A73-H77 PolarHBondContact O-CD2 2.89Å; A73-H77 PolarHBondContact O-N 2.76Å
74L93.3Very high92.7Very high13 Ų1370 Ų707%0.06837%0.372CS..Hα-helixtrans-62.5-44.2175.8-173.865.1000112V43 Y68 D71 I76 H77 F78 H117V43-L74 HydrophobicContact CG2-CD1 3.96Å; Y68-L74 HydrophobicContact CD1-CD2 4.42Å; Y68-L74 HydrophobicContact CG-CD2 4.23Å; D71-L74 HydrophobicContact CB-CB 3.9Å; D71-L74 PolarHBondContact O-N 3.3Å; D71-L74 PolarHBondContact OD1-N 3.19Å; L74-I76 VanDerWaalsContact C-N 3.3Å; L74-I76 PolarHBondContact O-N 2.84Å; L74-H77 WeakPolarHBondContact O-CB 3.48Å; L74-H77 PolarHBondContact O-N 2.9Å; L74-H77 VanDerWaalsContact O-N 3.1Å; L74-F78 HydrophobicContact CD1-CD1 4.21Å; L74-F78 HydrophobicContact CD1-CE1 3.65Å; L74-F78 HydrophobicContact CD1-CZ 4Å; L74-F78 HydrophobicContact CD2-CE2 4.5Å; L74-F78 HydrophobicContact CD2-CZ 4.15Å; L74-F78 HydrophobicContact CG-CD1 4.44Å; L74-F78 HydrophobicContact CG-CE1 4.04Å; L74-F78 HydrophobicContact CG-CE2 4.38Å; L74-F78 HydrophobicContact CG-CZ 4Å; L74-F78 PolarHBondContact O-N 3.06Å; L74-H117 HydrophobicContact CD1-CB 4Å
75Q93.9Very high92.9Very high55 Ų5568.7 Ų68.726%0.25736%0.364SS..Hα-helixtrans-63.5-35.6178.1-63-49.8-43.100112.4Y68 D71 I72 F78 T79Y68-Q75 PolarHBondContact O-NE2 2.64Å; D71-Q75 WeakPolarHBondContact O-CG 3.41Å; D71-Q75 PolarHBondContact O-N 2.87Å; I72-Q75 PolarHBondContact O-N 3.4Å; Q75-F78 PolarHBondContact O-N 2.82Å; Q75-T79 PolarHBondContact O-N 2.89Å; Q75-T79 PolarHBondContact O-OG1 3.34Å
76I96.2Very high93.3Very high94 Ų9471.3 Ų71.348%0.48237%0.374SS..Hα-helixtrans-62-47.9171.6-71.2166.8000109.9I72 A73 L74 F78 T79 L80I72-I76 HydrophobicContact CG2-CD1 3.89Å; I72-I76 HydrophobicContact CG2-CG1 4.39Å; I72-I76 VanDerWaalsContact O-CG1 3.23Å; I72-I76 WeakPolarHBondContact O-CG1 3.49Å; I72-I76 PolarHBondContact O-N 3.01Å; A73-I76 PolarHBondContact O-N 3.34Å; L74-I76 VanDerWaalsContact C-N 3.3Å; L74-I76 PolarHBondContact O-N 2.84Å; I76-F78 VanDerWaalsContact C-N 3.33Å; I76-F78 PolarHBondContact O-N 2.97Å; I76-T79 WeakPolarHBondContact O-CB 3.46Å; I76-T79 PolarHBondContact O-N 3.37Å; I76-L80 HydrophobicContact CG2-CD1 4Å; I76-L80 HydrophobicContact CG2-CG 4.42Å; I76-L80 WeakPolarHBondContact O-CG 3.16Å; I76-L80 PolarHBondContact O-N 2.89Å
77H96Very high93.8Very high49 Ų4971 Ų7123%0.22737%0.373CS..Hα-helixtrans-59.8-41.9178.2-76.6-62.6000112.8V43 Y44 A73 L74 T79 L80 I81V43-H77 HydrophobicContact CG1-CB 3.52Å; Y44-H77 AromaticContact CE1-CE1 3.97Å; Y44-H77 AromaticContact CZ-NE2 3.96Å; A73-H77 PolarHBondContact O-CD2 2.89Å; A73-H77 PolarHBondContact O-N 2.76Å; L74-H77 WeakPolarHBondContact O-CB 3.48Å; L74-H77 PolarHBondContact O-N 2.9Å; L74-H77 VanDerWaalsContact O-N 3.1Å; H77-T79 VanDerWaalsContact C-N 3.34Å; H77-T79 PolarHBondContact O-N 2.83Å; H77-L80 PolarHBondContact O-N 3.45Å; H77-I81 WeakPolarHBondContact O-CB 3.22Å; H77-I81 VanDerWaalsContact O-CG1 3.32Å; H77-I81 WeakPolarHBondContact O-CG1 3.42Å; H77-I81 PolarHBondContact O-N 2.92Å
78F95.9Very high94.3Very high1 Ų167.4 Ų67.40%0.00436%0.358CS..Hα-helixtrans-62.6-42175.9-75.84000112.4V43 L62 A63 T64 L74 Q75 I76 L80 I81 Q82 H117V43-F78 HydrophobicContact CG2-CE1 4.16Å; L62-F78 HydrophobicContact CD2-CD1 3.86Å; L62-F78 HydrophobicContact CD2-CE1 4Å; L62-F78 HydrophobicContact CD2-CG 4.41Å; A63-F78 WeakPolarHBondContact O-CZ 3.18Å; T64-F78 HydrophobicContact CG2-CE2 3.88Å; L74-F78 HydrophobicContact CD1-CD1 4.21Å; L74-F78 HydrophobicContact CD1-CE1 3.65Å; L74-F78 HydrophobicContact CD1-CZ 4Å; L74-F78 HydrophobicContact CD2-CE2 4.5Å; L74-F78 HydrophobicContact CD2-CZ 4.15Å; L74-F78 HydrophobicContact CG-CD1 4.44Å; L74-F78 HydrophobicContact CG-CE1 4.04Å; L74-F78 HydrophobicContact CG-CE2 4.38Å; L74-F78 HydrophobicContact CG-CZ 4Å; L74-F78 PolarHBondContact O-N 3.06Å; Q75-F78 PolarHBondContact O-N 2.82Å; I76-F78 VanDerWaalsContact C-N 3.33Å; I76-F78 PolarHBondContact O-N 2.97Å; F78-L80 VanDerWaalsContact C-N 3.32Å; F78-L80 PolarHBondContact O-N 3.17Å; F78-I81 PolarHBondContact O-N 3.13Å; F78-Q82 WeakPolarHBondContact O-CB 3.41Å; F78-Q82 WeakPolarHBondContact O-CG 3.29Å; F78-Q82 PolarHBondContact O-N 3.42Å; F78-H117 HydrophobicContact CE1-CB 4Å; F78-H117 VanDerWaalsContact CE1-O 3.26Å; F78-H117 WeakPolarHBondContact CE1-O 3.33Å; F78-H117 HydrophobicContact CZ-CB 4.02Å; F78-H117 VanDerWaalsContact CZ-O 3.31Å; F78-H117 WeakPolarHBondContact CZ-O 3.42Å
79T96.6Very high94.8Very high89 Ų8970.7 Ų70.755%0.54638%0.38SS..Hα-helixtrans-60.6-44.5176.5-56.80000111Q75 I76 H77 A83Q75-T79 PolarHBondContact O-N 2.89Å; Q75-T79 PolarHBondContact O-OG1 3.34Å; I76-T79 WeakPolarHBondContact O-CB 3.46Å; I76-T79 PolarHBondContact O-N 3.37Å; H77-T79 VanDerWaalsContact C-N 3.34Å; H77-T79 PolarHBondContact O-N 2.83Å; T79-A83 WeakPolarHBondContact O-CB 3.29Å; T79-A83 PolarHBondContact O-N 3.33Å
80L97.4Very high95.4Very high110 Ų11065 Ų6558%0.57635%0.353SS*.Hα-helixtrans-64.9-45.2178.3-67.3172.6000112.1I76 H77 F78 A83 F84I76-L80 HydrophobicContact CG2-CD1 4Å; I76-L80 HydrophobicContact CG2-CG 4.42Å; I76-L80 WeakPolarHBondContact O-CG 3.16Å; I76-L80 PolarHBondContact O-N 2.89Å; H77-L80 PolarHBondContact O-N 3.45Å; F78-L80 VanDerWaalsContact C-N 3.32Å; F78-L80 PolarHBondContact O-N 3.17Å; L80-A83 PolarHBondContact O-N 2.93Å; L80-F84 WeakPolarHBondContact O-CB 3.4Å; L80-F84 PolarHBondContact O-N 2.81Å
81I97.3Very high95.8Very high6 Ų660.1 Ų60.13%0.03132%0.319CS..Hα-helixtrans-64.3-42.9178.7-71.2167.4000110.8V43 M50 L62 H77 F78 F84 C85 C118V43-I81 HydrophobicContact CG1-CD1 4.02Å; M50-I81 HydrophobicContact CE-CG2 3.82Å; M50-I81 HydrophobicContact SD-CG2 4.34Å; L62-I81 HydrophobicContact CD2-CB 4.49Å; L62-I81 HydrophobicContact CD2-CD1 4.48Å; L62-I81 HydrophobicContact CD2-CG2 3.97Å; H77-I81 WeakPolarHBondContact O-CB 3.22Å; H77-I81 VanDerWaalsContact O-CG1 3.32Å; H77-I81 WeakPolarHBondContact O-CG1 3.42Å; H77-I81 PolarHBondContact O-N 2.92Å; F78-I81 PolarHBondContact O-N 3.13Å; I81-F84 WeakPolarHBondContact O-CB 3.5Å; I81-F84 PolarHBondContact O-N 3.32Å; I81-C85 PolarHBondContact O-N 3.06Å; I81-C85 PolarHBondContact O-SG 3.48Å; I81-C85 VanDerWaalsContact O-SG 3.32Å; I81-C118 HydrophobicContact CD1-CB 4.24Å
82Q96.9Very high96.1Very high23 Ų2357 Ų5711%0.10730%0.303CS..Hα-helixtrans-61.4-48.6177-75.9174.1-11.600111.8L62 F78 F84 C85 F86 V151L62-Q82 HydrophobicContact CD1-CG 3.43Å; L62-Q82 VanDerWaalsContact CD1-CG 3.43Å; L62-Q82 VanDerWaalsContact CD1-NE2 3.27Å; F78-Q82 WeakPolarHBondContact O-CB 3.41Å; F78-Q82 WeakPolarHBondContact O-CG 3.29Å; F78-Q82 PolarHBondContact O-N 3.42Å; Q82-F84 VanDerWaalsContact C-N 3.25Å; Q82-F84 PolarHBondContact O-N 2.81Å; Q82-C85 PolarHBondContact O-N 3.5Å; Q82-C85 VanDerWaalsContact O-N 3.16Å; Q82-F86 HydrophobicContact CB-CD2 4.39Å; Q82-F86 HydrophobicContact CB-CE2 4.04Å; Q82-F86 WeakPolarHBondContact O-CD2 3.19Å; Q82-F86 WeakPolarHBondContact O-CG 3.48Å; Q82-F86 PolarHBondContact O-N 3.43Å; Q82-V151 HydrophobicContact CG-CG2 4.39Å
83A97.1Very high96.2Very high42 Ų4250.8 Ų50.835%0.34727%0.271SS..Hα-helixtrans-55.2-45176.300000111.1T79 L80 F86 E87T79-A83 WeakPolarHBondContact O-CB 3.29Å; T79-A83 PolarHBondContact O-N 3.33Å; L80-A83 PolarHBondContact O-N 2.93Å; A83-F86 PolarHBondContact O-N 3Å; A83-E87 WeakPolarHBondContact O-CG 3.38Å; A83-E87 PolarHBondContact O-N 3.16Å
84F97.3Very high96.3Very high49 Ų4951.5 Ų51.522%0.21526%0.262CS..Hα-helixtrans-60.1-47.8175.9-168.8-85.4000112.7M50 P54 L80 I81 Q82 F86 E87 N88 I90M50-F84 HydrophobicContact CB-CD1 3.88Å; M50-F84 HydrophobicContact CB-CE1 3.51Å; M50-F84 HydrophobicContact CB-CE2 4.34Å; M50-F84 HydrophobicContact CB-CG 4.44Å; M50-F84 HydrophobicContact CB-CZ 3.76Å; M50-F84 HydrophobicContact CE-CD1 4.41Å; M50-F84 HydrophobicContact CG-CD1 3.74Å; M50-F84 HydrophobicContact CG-CE1 3.65Å; M50-F84 HydrophobicContact CG-CZ 4.41Å; M50-F84 VanDerWaalsContact O-CZ 3.24Å; M50-F84 WeakPolarHBondContact O-CZ 3.32Å; M50-F84 HydrophobicContact SD-CB 4.21Å; M50-F84 HydrophobicContact SD-CD1 3.37Å; M50-F84 WeakPolarHBondContact SD-CD1 3.46Å; M50-F84 HydrophobicContact SD-CE1 3.96Å; M50-F84 HydrophobicContact SD-CG 3.89Å; P54-F84 HydrophobicContact CB-CE1 3.78Å; P54-F84 HydrophobicContact CB-CZ 3.65Å; P54-F84 HydrophobicContact CG-CZ 4.34Å; L80-F84 WeakPolarHBondContact O-CB 3.4Å; L80-F84 PolarHBondContact O-N 2.81Å; I81-F84 WeakPolarHBondContact O-CB 3.5Å; I81-F84 PolarHBondContact O-N 3.32Å; Q82-F84 VanDerWaalsContact C-N 3.25Å; Q82-F84 PolarHBondContact O-N 2.81Å; F84-F86 VanDerWaalsContact C-N 3.3Å; F84-F86 PolarHBondContact O-N 3.04Å; F84-E87 PolarHBondContact O-N 3.29Å; F84-N88 HydrophobicContact CE1-CB 4.48Å; F84-N88 WeakPolarHBondContact CE1-ND2 3.35Å; F84-N88 WeakPolarHBondContact CZ-ND2 3.28Å; F84-N88 PolarHBondContact O-N 3.39Å; F84-N88 VanDerWaalsContact O-N 3.15Å; F84-N88 PolarHBondContact O-ND2 3.25Å; F84-I90 HydrophobicContact CD1-CD1 4.36Å; F84-I90 HydrophobicContact CE1-CD1 4.27Å
85C97.5Very high96.4Very high0 Ų051 Ų510%026%0.259CS..Hα-helixtrans-59.1-42.7178-71.40000111.5I81 Q82 N88 D89 I90 V92I81-C85 PolarHBondContact O-N 3.06Å; I81-C85 PolarHBondContact O-SG 3.48Å; I81-C85 VanDerWaalsContact O-SG 3.32Å; Q82-C85 PolarHBondContact O-N 3.5Å; Q82-C85 VanDerWaalsContact O-N 3.16Å; C85-N88 CarbonylContact O-C 3.54Å; C85-N88 PolarHBondContact O-N 3.42Å; C85-D89 PolarHBondContact O-N 2.96Å; C85-D89 VanDerWaalsContact O-N 3.09Å; C85-I90 HydrophobicContact CB-CB 3.96Å; C85-I90 HydrophobicContact CB-CG2 4.35Å; C85-I90 PolarHBondContact O-N 3.01Å; C85-V92 HydrophobicContact CB-CB 4.18Å; C85-V92 HydrophobicContact CB-CG1 4.17Å
86F95.9Very high96.1Very high91 Ų9152.4 Ų52.440%0.39928%0.275SS..Hα-helixtrans-64.9-41.3177.8-69.6-53.9000113.3Q82 A83 F84 N88 D89 V92 W150 V151Q82-F86 HydrophobicContact CB-CD2 4.39Å; Q82-F86 HydrophobicContact CB-CE2 4.04Å; Q82-F86 WeakPolarHBondContact O-CD2 3.19Å; Q82-F86 WeakPolarHBondContact O-CG 3.48Å; Q82-F86 PolarHBondContact O-N 3.43Å; A83-F86 PolarHBondContact O-N 3Å; F84-F86 VanDerWaalsContact C-N 3.3Å; F84-F86 PolarHBondContact O-N 3.04Å; F86-N88 PolarHBondContact O-N 3.47Å; F86-D89 PolarHBondContact O-N 3.31Å; F86-V92 HydrophobicContact CE1-CG1 4.38Å; F86-V92 HydrophobicContact CZ-CG1 4.38Å; F86-W150 HydrophobicContact CE1-CB 3.97Å; F86-W150 HydrophobicContact CE1-CE3 4.34Å; F86-W150 WeakPolarHBondContact CE1-O 3.47Å; F86-W150 HydrophobicContact CZ-CB 3.76Å; F86-V151 HydrophobicContact CE2-CG2 4.09Å; F86-V151 HydrophobicContact CZ-CG2 3.51Å
87E95.9Very high95.8Very high158 Ų15850.9 Ų50.974%0.73827%0.268SS*.Hα-helixtrans-66.3-27.5179.1-73.2175.7-177.800112.8A83 F84A83-E87 WeakPolarHBondContact O-CG 3.38Å; A83-E87 PolarHBondContact O-N 3.16Å; F84-E87 PolarHBondContact O-N 3.29Å
88N95.3Very high95.5Very high65 Ų6549.2 Ų49.235%0.34826%0.26SS..THydrogen-bonded Turntrans-107.112.3-177.2-64.2-86.5000113.7F84 C85 F86 I90F84-N88 HydrophobicContact CE1-CB 4.48Å; F84-N88 WeakPolarHBondContact CE1-ND2 3.35Å; F84-N88 WeakPolarHBondContact CZ-ND2 3.28Å; F84-N88 PolarHBondContact O-N 3.39Å; F84-N88 VanDerWaalsContact O-N 3.15Å; F84-N88 PolarHBondContact O-ND2 3.25Å; C85-N88 CarbonylContact O-C 3.54Å; C85-N88 PolarHBondContact O-N 3.42Å; F86-N88 PolarHBondContact O-N 3.47Å; N88-I90 HydrophobicContact CB-CD1 3.9Å; N88-I90 HydrophobicContact CB-CG1 4.1Å; N88-I90 PolarHBondContact O-N 3.02Å
89D94.9Very high95.1Very high133 Ų13356.3 Ų56.371%0.71129%0.294SS*.THydrogen-bonded Turntrans5533.9-178.7-160.537.7000114.1C85 F86C85-D89 PolarHBondContact O-N 2.96Å; C85-D89 VanDerWaalsContact O-N 3.09Å; F86-D89 PolarHBondContact O-N 3.31Å
90I96.4Very high94.8Very high11 Ų1153.4 Ų53.46%0.05627%0.273CS..  trans-87123175.8-60.1163.6000108.4V57 C60 F84 C85 N88 V92V57-I90 HydrophobicContact CB-CD1 3.8Å; V57-I90 HydrophobicContact CB-CG1 4.4Å; V57-I90 HydrophobicContact CG1-CD1 3.89Å; V57-I90 HydrophobicContact CG1-CG1 4.38Å; V57-I90 HydrophobicContact CG1-CG2 3.85Å; C60-I90 HydrophobicContact CB-CG2 4.15Å; F84-I90 HydrophobicContact CD1-CD1 4.36Å; F84-I90 HydrophobicContact CE1-CD1 4.27Å; C85-I90 HydrophobicContact CB-CB 3.96Å; C85-I90 HydrophobicContact CB-CG2 4.35Å; C85-I90 PolarHBondContact O-N 3.01Å; N88-I90 HydrophobicContact CB-CD1 3.9Å; N88-I90 HydrophobicContact CB-CG1 4.1Å; N88-I90 PolarHBondContact O-N 3.02Å; I90-V92 PolarHBondContact O-N 3.18Å
91N97.4Very high94.6Very high18 Ų1848.2 Ų48.210%0.09625%0.245CC..EExtended strand (participates in β ladder)trans-63.9128.2173.5-71.9-47.3000110.6F59 C60 S138 C141 R145F59-N91 HydrophobicContact CD2-CB 3.63Å; F59-N91 HydrophobicContact CE2-CB 3.57Å; C60-N91 PolarHBondContact N-O 3.25Å; N91-S138 WeakPolarHBondContact ND2-CB 3.43Å; N91-S138 PolarHBondContact ND2-OG 3.46Å; N91-C141 HydrophobicContact CB-CB 4.23Å; N91-C141 WeakPolarHBondContact OD1-CB 3.44Å; N91-R145 PolarHBondContact OD1-NH1 3.14Å; N91-R145 PolarHBondContact OD1-NH2 3.2Å
92V97.8Very high94.3Very high4 Ų449.1 Ų49.12%0.02425%0.254CS..EExtended strand (participates in β ladder)trans-128.8136.7-178.7590000111.4C60 L62 C85 F86 I90 V151C60-V92 HydrophobicContact CB-CB 4.1Å; C60-V92 HydrophobicContact CB-CG2 4.04Å; C60-V92 VanDerWaalsContact O-CA 3.29Å; C60-V92 WeakPolarHBondContact O-CA 3.38Å; L62-V92 HydrophobicContact CD1-CG2 3.85Å; L62-V92 HydrophobicContact CG-CG2 4.12Å; C85-V92 HydrophobicContact CB-CB 4.18Å; C85-V92 HydrophobicContact CB-CG1 4.17Å; F86-V92 HydrophobicContact CE1-CG1 4.38Å; F86-V92 HydrophobicContact CZ-CG1 4.38Å; I90-V92 PolarHBondContact O-N 3.18Å; V92-V151 HydrophobicContact CG1-CG1 4.24Å; V92-V151 HydrophobicContact CG1-CG2 4.24Å; V92-V151 HydrophobicContact CG2-CG1 4.2Å
93V97.8Very high93.9Very high0 Ų052.3 Ų52.30%027%0.272CS..EExtended strand (participates in β ladder)trans-130.6157.5178.4-57.80000111.7L26 F59 C60 V61 L62 P152 I154L26-V93 HydrophobicContact CD2-CG2 4.38Å; F59-V93 HydrophobicContact CE1-CG1 4.13Å; F59-V93 HydrophobicContact CE1-CG2 3.65Å; F59-V93 HydrophobicContact CZ-CB 4.45Å; F59-V93 HydrophobicContact CZ-CG1 3.59Å; F59-V93 HydrophobicContact CZ-CG2 4.01Å; C60-V93 PolarHBondContact O-N 3.42Å; V61-V93 HydrophobicContact CG1-CG2 4.35Å; V61-V93 HydrophobicContact CG2-CG2 4.17Å; L62-V93 PolarHBondContact N-O 3.23Å; V93-P152 WeakPolarHBondContact CA-O 3.48Å; V93-P152 WeakPolarHBondContact CB-O 3.4Å; V93-P152 HydrophobicContact CG1-CG 4.21Å; V93-I154 HydrophobicContact CB-CD1 4.08Å; V93-I154 HydrophobicContact CB-CG1 4.4Å; V93-I154 HydrophobicContact CG1-CD1 3.86Å; V93-I154 HydrophobicContact CG1-CG1 4.48Å; V93-I154 HydrophobicContact CG2-CD1 4.16Å
94R96.6Very high93.5Very high71 Ų7151.2 Ų51.227%0.26826%0.26SS..EExtended strand (participates in β ladder)trans-102.4142.2172.1-77.7171.8-171-86.810.1111.5L62 V151 P152 S153 I154L62-R94 CarbonylContact O-C 3.53Å; L62-R94 VanDerWaalsContact O-CA 3.28Å; L62-R94 WeakPolarHBondContact O-CA 3.46Å; R94-V151 HydrophobicContact CG-CG1 3.72Å; R94-P152 PolarHBondContact N-O 3.26Å; R94-S153 CarbonylContact O-C 3.55Å; R94-S153 WeakPolarHBondContact O-CA 3.23Å; R94-I154 PolarHBondContact O-N 3.31Å
95V95.1Very high93.1Very high2 Ų249.4 Ų49.41%0.01225%0.253CS..EExtended strand (participates in β ladder)trans-131134.3173.31760000109.2L26 V61 L62 A63 T64 L156L26-V95 HydrophobicContact CD2-CG2 3.63Å; V61-V95 HydrophobicContact CG1-CB 4.29Å; V61-V95 HydrophobicContact CG1-CG2 3.73Å; L62-V95 PolarHBondContact O-N 3.41Å; A63-V95 VanDerWaalsContact CA-O 3.22Å; A63-V95 WeakPolarHBondContact CA-O 3.39Å; A63-V95 HydrophobicContact CB-CB 4.44Å; T64-V95 PolarHBondContact N-O 3.28Å; V95-L156 HydrophobicContact CG1-CD1 3.96Å; V95-L156 HydrophobicContact CG1-CG 4.09Å
96S87.4Confident92.4Very high84 Ų8456 Ų5659%0.58728%0.278SS*.SBendtrans-103.9-0.2-175.8-430000114.3
97D89.2Confident90.9Very high63 Ų6355 Ų5534%0.33729%0.286SS..  trans-109.478179.4-173.9-14.6000108.7Q99 R100 L101D97-Q99 VanDerWaalsContact C-N 3.33Å; D97-Q99 PolarHBondContact O-N 3.35Å; D97-R100 HydrophobicContact CB-CB 4.37Å; D97-R100 PolarHBondContact O-N 3.05Å; D97-R100 WeakPolarHBondContact OD1-CB 3.47Å; D97-R100 PolarHBondContact OD1-N 3.09Å; D97-R100 WeakPolarHBondContact OD2-CB 3.37Å; D97-L101 WeakPolarHBondContact O-CB 3.41Å; D97-L101 PolarHBondContact O-N 3.4Å
98M89.8Confident89.1Confident13 Ų1354 Ų546%0.06429%0.286CS..Hα-helixtrans-64.8-36.7-177.7-76.4-17760.300112.7A63 D65 Y68 R100 L101 A102 P116 H117A63-M98 HydrophobicContact CB-CG 3.93Å; D65-M98 HydrophobicContact CB-CG 4.5Å; D65-M98 HydrophobicContact CB-SD 4.16Å; D65-M98 PolarHBondContact N-SD 3.48Å; D65-M98 VanDerWaalsContact N-SD 3.42Å; D65-M98 WeakPolarHBondContact OD1-CB 3.42Å; D65-M98 WeakPolarHBondContact OD1-CG 3.31Å; D65-M98 PolarHBondContact OD1-N 2.81Å; D65-M98 WeakPolarHBondContact OD2-CB 3.24Å; Y68-M98 HydrophobicContact CD2-CE 4.38Å; Y68-M98 HydrophobicContact CD2-SD 3.78Å; Y68-M98 HydrophobicContact CE2-CE 3.93Å; Y68-M98 HydrophobicContact CE2-SD 3.8Å; M98-R100 VanDerWaalsContact C-N 3.32Å; M98-R100 PolarHBondContact O-N 3.37Å; M98-L101 PolarHBondContact O-N 3.29Å; M98-A102 WeakPolarHBondContact O-CB 3.32Å; M98-A102 PolarHBondContact O-N 3.36Å; M98-P116 HydrophobicContact CE-CG 4.33Å; M98-H117 WeakPolarHBondContact CE-CE1 3.34Å; M98-H117 VanDerWaalsContact CE-ND1 3.33Å; M98-H117 WeakPolarHBondContact CE-ND1 3.37Å; M98-H117 PolarHBondContact SD-CE1 3.3Å
99Q88.5Confident87.2Confident151 Ų15160.6 Ų60.671%0.70631%0.314SS*.Hα-helixtrans-58.9-48180-70.3-171.3-8.200110.8D97 A102 D103D97-Q99 VanDerWaalsContact C-N 3.33Å; D97-Q99 PolarHBondContact O-N 3.35Å; Q99-A102 WeakPolarHBondContact O-CB 3.45Å; Q99-A102 PolarHBondContact O-N 3.31Å; Q99-D103 PolarHBondContact O-N 3.32Å
100R90.3Very high85.3Confident28 Ų2861 Ų6111%0.10632%0.322CS..Hα-helixtrans-70.5-38.2178.6-177.1165.9162.5-144.4-6.9113E27 D97 M98 A102 D103 L104 L156 P157E27-R100 IonicContact OE2-CZ 2.75Å; E27-R100 IonicContact OE2-NH2 2.73Å; E27-R100 PolarHBondContact OE2-NH2 3.26Å; D97-R100 HydrophobicContact CB-CB 4.37Å; D97-R100 PolarHBondContact O-N 3.05Å; D97-R100 WeakPolarHBondContact OD1-CB 3.47Å; D97-R100 PolarHBondContact OD1-N 3.09Å; D97-R100 WeakPolarHBondContact OD2-CB 3.37Å; M98-R100 VanDerWaalsContact C-N 3.32Å; M98-R100 PolarHBondContact O-N 3.37Å; R100-A102 PolarHBondContact O-N 3.35Å; R100-D103 WeakPolarHBondContact O-CB 3.37Å; R100-D103 PolarHBondContact O-N 3.15Å; R100-D103 VanDerWaalsContact O-N 3.16Å; R100-L104 PolarHBondContact O-N 2.84Å; R100-L156 HydrophobicContact CB-CD1 4.46Å; R100-L156 HydrophobicContact CG-CD1 4.2Å; R100-L156 PolarHBondContact NH1-O 3.08Å; R100-P157 VanDerWaalsContact CZ-C 3.47Å; R100-P157 PolarHBondContact NH1-O 3.05Å; R100-P157 VanDerWaalsContact NH2-CG 3.26Å; R100-P157 PolarHBondContact NH2-O 3.26Å
101L92.1Very high83.3Confident0 Ų063 Ų630%035%0.345CS..Hα-helixtrans-59.1-42.5175.1-172.763.6000110.6L30 V61 A63 D97 M98 D103 L104 V105 P116 I119 L156L30-L101 HydrophobicContact CD1-CD1 3.49Å; L30-L101 VanDerWaalsContact CD1-CD1 3.49Å; V61-L101 HydrophobicContact CG1-CD2 4.31Å; A63-L101 HydrophobicContact CB-CD2 3.3Å; D97-L101 WeakPolarHBondContact O-CB 3.41Å; D97-L101 PolarHBondContact O-N 3.4Å; M98-L101 PolarHBondContact O-N 3.29Å; L101-D103 PolarHBondContact O-N 2.91Å; L101-L104 PolarHBondContact O-N 3Å; L101-V105 WeakPolarHBondContact O-CG2 3.47Å; L101-V105 PolarHBondContact O-N 3.4Å; L101-P116 HydrophobicContact CD2-CB 4.23Å; L101-P116 HydrophobicContact CG-CB 4.25Å; L101-I119 HydrophobicContact CD1-CD1 3.58Å; L101-I119 HydrophobicContact CD2-CD1 3.64Å; L101-I119 HydrophobicContact CG-CD1 3.56Å; L101-L156 HydrophobicContact CB-CD1 4.33Å; L101-L156 HydrophobicContact CD1-CD1 4.32Å
102A90.5Very high81.4Confident25 Ų2570.5 Ų70.521%0.20738%0.38CS..Hα-helixtrans-58-45.2173.800000111.7M98 Q99 R100 L104 V105 R106 P116M98-A102 WeakPolarHBondContact O-CB 3.32Å; M98-A102 PolarHBondContact O-N 3.36Å; Q99-A102 WeakPolarHBondContact O-CB 3.45Å; Q99-A102 PolarHBondContact O-N 3.31Å; R100-A102 PolarHBondContact O-N 3.35Å; A102-L104 VanDerWaalsContact C-N 3.31Å; A102-L104 PolarHBondContact O-N 2.93Å; A102-V105 PolarHBondContact O-N 3.3Å; A102-R106 VanDerWaalsContact O-CB 3.32Å; A102-R106 WeakPolarHBondContact O-CB 3.32Å; A102-R106 PolarHBondContact O-N 2.9Å; A102-P116 HydrophobicContact CB-CG 3.98Å
103D89.4Confident79.5Confident91 Ų9176.2 Ų76.249%0.48742%0.417SS..Hα-helixtrans-61.4-37.9177.4-75-24.5000112.8Q99 R100 L101 R106Q99-D103 PolarHBondContact O-N 3.32Å; R100-D103 WeakPolarHBondContact O-CB 3.37Å; R100-D103 PolarHBondContact O-N 3.15Å; R100-D103 VanDerWaalsContact O-N 3.16Å; L101-D103 PolarHBondContact O-N 2.91Å; D103-R106 IonicContact OD1-CZ 3.67Å; D103-R106 IonicContact OD1-NH1 2.81Å; D103-R106 PolarHBondContact OD1-NH1 3.16Å; D103-R106 IonicContact OD1-NH2 3.77Å; D103-R106 PolarHBondContact OD1-NH2 2.89Å
104L89.6Confident78.1Confident19 Ų1982.7 Ų82.710%0.09945%0.445CS..Hα-helixtrans-66-46.1176-70.7174.4000111.4E27 L30 V31 K34 R100 L101 A102 L156E27-L104 HydrophobicContact CB-CD1 4.36Å; E27-L104 HydrophobicContact CG-CD1 4.15Å; E27-L104 HydrophobicContact CG-CD2 3.79Å; L30-L104 HydrophobicContact CD1-CD1 4.44Å; V31-L104 HydrophobicContact CG2-CD2 4.13Å; K34-L104 WeakPolarHBondContact CD-O 3.42Å; K34-L104 PolarHBondContact NZ-O 3.29Å; R100-L104 PolarHBondContact O-N 2.84Å; L101-L104 PolarHBondContact O-N 3Å; A102-L104 VanDerWaalsContact C-N 3.31Å; A102-L104 PolarHBondContact O-N 2.93Å; L104-L156 HydrophobicContact CD1-CD1 4Å; L104-L156 HydrophobicContact CD1-CD2 4.28Å
105V88.1Confident77.4Confident11 Ų1184.1 Ų84.17%0.06746%0.458CS..Hα-helixtrans-88.3-13-173.3-56.60000115.1L39 V41 L101 A102 A107 P116 I119L39-V105 HydrophobicContact CD1-CG1 4.13Å; V41-V105 HydrophobicContact CG1-CG2 4.08Å; V41-V105 HydrophobicContact CG2-CB 4.03Å; V41-V105 HydrophobicContact CG2-CG1 4.47Å; V41-V105 HydrophobicContact CG2-CG2 4.2Å; L101-V105 WeakPolarHBondContact O-CG2 3.47Å; L101-V105 PolarHBondContact O-N 3.4Å; A102-V105 PolarHBondContact O-N 3.3Å; V105-A107 PolarHBondContact O-N 3.21Å; V105-A107 VanDerWaalsContact O-N 3.07Å; V105-P116 HydrophobicContact CG2-CB 4.12Å; V105-I119 HydrophobicContact CG1-CD1 3.64Å; V105-I119 HydrophobicContact CG1-CG1 4.42Å
106R82.3Confident77.1Confident139 Ų13984.3 Ų84.353%0.52546%0.459SS..  trans-52.3113.3-178.4-174.3-179.4-65123.56.7112.2K34 A102 D103 D108K34-R106 WeakPolarHBondContact CE-O 3.26Å; K34-R106 PolarHBondContact NZ-O 2.61Å; A102-R106 VanDerWaalsContact O-CB 3.32Å; A102-R106 WeakPolarHBondContact O-CB 3.32Å; A102-R106 PolarHBondContact O-N 2.9Å; D103-R106 IonicContact OD1-CZ 3.67Å; D103-R106 IonicContact OD1-NH1 2.81Å; D103-R106 PolarHBondContact OD1-NH1 3.16Å; D103-R106 IonicContact OD1-NH2 3.77Å; D103-R106 PolarHBondContact OD1-NH2 2.89Å; R106-D108 PolarHBondContact O-N 3.06Å
107A64Low77.5Confident68 Ų6881 Ų8156%0.56243%0.434SS*.  trans-88.3102.7177.200000110.3V105V105-A107 PolarHBondContact O-N 3.21Å; V105-A107 VanDerWaalsContact O-N 3.07Å
108D58.5Low77.8Confident139 Ų13978 Ų7874%0.74342%0.418SS*.SBendtrans47161.1178.4-66.8-15.8000117R106 T110R106-D108 PolarHBondContact O-N 3.06Å; D108-T110 PolarHBondContact O-N 3.28Å
109E54.8Low78.2Confident202 Ų20277.4 Ų77.494%0.94442%0.415SS*.THydrogen-bonded Turntrans-69-0.5-166.4-59.3-161.2107.900115.5
110T55.3Low78.6Confident142 Ų14270.2 Ų70.287%0.87138%0.382SS*.THydrogen-bonded Turntrans-112.9-2.2-170.841.60000115.2D108D108-T110 PolarHBondContact O-N 3.28Å
111G55Low78.8Confident52 Ų5268.9 Ų68.954%0.53638%0.377SS..SBendtrans-82.9147.217900000113.4
112E56.5Low78.9Confident177 Ų17769.9 Ų69.983%0.82738%0.383SS*.  trans-56.8143.9165.9-67.3-177.7135.900109.9K114E112-K114 PolarHBondContact O-N 3.12Å
113P59.1Low78.8Confident124 Ų12469.7 Ų69.781%0.80538%0.38SS*.  trans-59.2113.4175.523.7-30.5000108.7
114K68.3Low78.2Confident136 Ų13667.4 Ų67.459%0.59137%0.37SS*.  trans-84.1125.6171.6-65.8-173.3179.4-177.90107.9V41 E112 P116V41-K114 HydrophobicContact CB-CD 4.15Å; V41-K114 HydrophobicContact CG1-CB 3.98Å; V41-K114 HydrophobicContact CG1-CD 4.41Å; E112-K114 PolarHBondContact O-N 3.12Å; K114-P116 WeakPolarHBondContact O-CD 3.41Å
115D80.9Confident77.2Confident100 Ų10071.5 Ų71.554%0.53540%0.4SS..  trans-68.7110174.3-61.8-44.9000109.3H117D115-H117 PolarHBondContact O-N 3.12Å
116P89.6Confident76.2Confident6 Ų675.8 Ų75.84%0.03944%0.437CS..THydrogen-bonded Turntrans-82.135.4-170.938-38.6000111.9V41 A63 M98 L101 A102 V105 K114 C118 I119V41-P116 HydrophobicContact CG1-CB 4.22Å; A63-P116 WeakPolarHBondContact CB-O 3.31Å; M98-P116 HydrophobicContact CE-CG 4.33Å; L101-P116 HydrophobicContact CD2-CB 4.23Å; L101-P116 HydrophobicContact CG-CB 4.25Å; A102-P116 HydrophobicContact CB-CG 3.98Å; V105-P116 HydrophobicContact CG2-CB 4.12Å; K114-P116 WeakPolarHBondContact O-CD 3.41Å; P116-C118 PolarHBondContact O-N 2.95Å; P116-I119 HydrophobicContact CB-CD1 4.31Å
117H95.2Very high75.7Confident15 Ų1574.1 Ų74.17%0.06944%0.438CS..THydrogen-bonded Turntrans-64.6-26.6-178.3-74.2-55.7000113.5V43 L62 A63 Y68 L74 F78 M98 D115V43-H117 HydrophobicContact CG2-CB 3.7Å; L62-H117 WeakPolarHBondContact CA-O 3.11Å; A63-H117 PolarHBondContact N-O 3.45Å; A63-H117 WeakPolarHBondContact O-CA 3.34Å; A63-H117 PolarHBondContact O-ND1 2.68Å; Y68-H117 AromaticContact CD1-CE1 3.86Å; Y68-H117 AromaticContact CD1-NE2 3.95Å; Y68-H117 AromaticContact CD2-CE1 3.54Å; Y68-H117 AromaticContact CE1-NE2 3.89Å; Y68-H117 AromaticContact CE2-CE1 3.74Å; Y68-H117 AromaticContact CG-CE1 3.62Å; L74-H117 HydrophobicContact CD1-CB 4Å; F78-H117 HydrophobicContact CE1-CB 4Å; F78-H117 VanDerWaalsContact CE1-O 3.26Å; F78-H117 WeakPolarHBondContact CE1-O 3.33Å; F78-H117 HydrophobicContact CZ-CB 4.02Å; F78-H117 VanDerWaalsContact CZ-O 3.31Å; F78-H117 WeakPolarHBondContact CZ-O 3.42Å; M98-H117 WeakPolarHBondContact CE-CE1 3.34Å; M98-H117 VanDerWaalsContact CE-ND1 3.33Å; M98-H117 WeakPolarHBondContact CE-ND1 3.37Å; M98-H117 PolarHBondContact SD-CE1 3.3Å; D115-H117 PolarHBondContact O-N 3.12Å
118C96.5Very high76.3Confident0 Ų074.6 Ų74.60%044%0.436CS..EExtended strand (participates in β ladder)trans-139.9134.8170.6-174.70000109.2G42 V43 S46 V61 L62 I81 P116G42-C118 PolarHBondContact N-O 3.42Å; V43-C118 HydrophobicContact CB-CB 4.49Å; V43-C118 HydrophobicContact CG2-CB 3.89Å; S46-C118 WeakPolarHBondContact CB-SG 3.49Å; S46-C118 PolarHBondContact OG-SG 3.22Å; S46-C118 VanDerWaalsContact OG-SG 3.4Å; V61-C118 CarbonylContact O-C 3.42Å; V61-C118 VanDerWaalsContact O-CA 3.29Å; V61-C118 WeakPolarHBondContact O-CA 3.39Å; L62-C118 HydrophobicContact CD2-CB 3.96Å; I81-C118 HydrophobicContact CD1-CB 4.24Å; P116-C118 PolarHBondContact O-N 2.95Å
119I97.2Very high77.3Confident1 Ų169.1 Ų69.11%0.00540%0.404CS..EExtended strand (participates in β ladder)trans-130.1130.6173.4-58.5157.7000108.3L30 L39 T40 V41 V61 L101 V105 P116L30-I119 HydrophobicContact CD2-CG2 3.98Å; L39-I119 HydrophobicContact CD2-CG2 3.78Å; T40-I119 CarbonylContact O-C 3.52Å; T40-I119 VanDerWaalsContact O-CA 3.22Å; T40-I119 WeakPolarHBondContact O-CA 3.14Å; V41-I119 HydrophobicContact CG1-CG1 4.26Å; V41-I119 HydrophobicContact CG2-CG1 4.34Å; V41-I119 HydrophobicContact CG2-CG2 4.48Å; V61-I119 HydrophobicContact CB-CB 4.21Å; V61-I119 PolarHBondContact N-O 2.97Å; V61-I119 PolarHBondContact O-N 2.77Å; L101-I119 HydrophobicContact CD1-CD1 3.58Å; L101-I119 HydrophobicContact CD2-CD1 3.64Å; L101-I119 HydrophobicContact CG-CD1 3.56Å; V105-I119 HydrophobicContact CG1-CD1 3.64Å; V105-I119 HydrophobicContact CG1-CG1 4.42Å; P116-I119 HydrophobicContact CB-CD1 4.31Å
120L96.6Very high78.6Confident0 Ų068.1 Ų68.10%040%0.397CS..EExtended strand (participates in β ladder)trans-107.5137.4168.8-54.2-178.6000110.5L39 T40 S46 V49 M50 V57 F59 C60L39-L120 WeakPolarHBondContact CA-O 3.28Å; T40-L120 PolarHBondContact N-O 3.45Å; T40-L120 PolarHBondContact O-N 3.39Å; S46-L120 WeakPolarHBondContact O-CD1 3.23Å; V49-L120 HydrophobicContact CB-CD1 4.19Å; V49-L120 HydrophobicContact CG1-CD1 4.3Å; M50-L120 HydrophobicContact CE-CD1 3.77Å; M50-L120 HydrophobicContact CE-CD2 3.37Å; M50-L120 HydrophobicContact CE-CG 4.19Å; M50-L120 HydrophobicContact CG-CD1 3.97Å; V57-L120 HydrophobicContact CG1-CB 4.36Å; V57-L120 HydrophobicContact CG1-CD1 4.3Å; V57-L120 HydrophobicContact CG1-CD2 4.11Å; V57-L120 HydrophobicContact CG1-CG 4.48Å; V57-L120 HydrophobicContact CG2-CD1 4.15Å; F59-L120 WeakPolarHBondContact O-CA 3.38Å; C60-L120 HydrophobicContact CB-CD2 3.73Å
121V95.9Very high80.2Confident0 Ų062.5 Ų62.50%036%0.362CS..EExtended strand (participates in β ladder)trans-98.9120.6164.6178.30000107.1L29 L30 A33 Y38 L39 A58 F59 W129L29-V121 HydrophobicContact CD1-CG1 4.44Å; L29-V121 HydrophobicContact CD2-CG2 4.02Å; L29-V121 HydrophobicContact CG-CG2 4.28Å; L30-V121 HydrophobicContact CD2-CG2 4.35Å; A33-V121 HydrophobicContact CB-CG1 4.22Å; A33-V121 HydrophobicContact CB-CG2 4.46Å; Y38-V121 WeakPolarHBondContact O-CA 3.44Å; L39-V121 HydrophobicContact CD2-CG2 3.76Å; A58-V121 PolarHBondContact N-O 2.63Å; F59-V121 HydrophobicContact CB-CB 3.99Å; F59-V121 HydrophobicContact CB-CG2 4.3Å; F59-V121 PolarHBondContact N-O 2.78Å; F59-V121 PolarHBondContact O-N 2.9Å; V121-W129 HydrophobicContact CG1-CE3 3.96Å; V121-W129 HydrophobicContact CG1-CZ3 3.48Å; V121-W129 VanDerWaalsContact CG1-CZ3 3.48Å
122T94Very high82Confident20 Ų2064.2 Ų64.212%0.12336%0.364CS..EExtended strand (participates in β ladder)trans-102.4149.7177.156.60000111.7Y38 V49 S56Y38-T122 WeakPolarHBondContact CB-O 3.36Å; Y38-T122 PolarHBondContact O-N 3.41Å; Y38-T122 PolarHBondContact O-OG1 2.91Å; V49-T122 HydrophobicContact CG1-CG2 4.04Å; S56-T122 CarbonylContact O-C 3.05Å; S56-T122 WeakPolarHBondContact O-CA 3.21Å; S56-T122 WeakPolarHBondContact O-CB 3.36Å
123S88.6Confident83.8Confident22 Ų2255.9 Ų55.915%0.15433%0.325CS..  trans-129.3101.3175.2-175.50000107S56 S125 P128 W129S56-S123 PolarHBondContact O-N 2.9Å; S123-S125 PolarHBondContact O-N 3.38Å; S123-P128 WeakPolarHBondContact OG-CA 3.22Å; S123-W129 PolarHBondContact OG-N 3.43Å
124P75.8Confident85.5Confident43 Ų4350.9 Ų50.928%0.27929%0.291SS..  trans-59131.2-176.9-22.932.4000111.1Y38 A126 N127Y38-P124 HydrophobicContact CD1-CG 4.29Å; Y38-P124 HydrophobicContact CE1-CG 3.67Å; P124-A126 PolarHBondContact O-N 2.95Å; P124-N127 CarbonylContact O-C 3.56Å; P124-N127 PolarHBondContact O-N 3.5Å
125S69Low86.8Confident105 Ų10549.7 Ų49.773%0.73429%0.291SS*.THydrogen-bonded Turntrans-56.3-29-179.256.60000113.8S123S123-S125 PolarHBondContact O-N 3.38Å
126A67.8Low87.5Confident100 Ų10049.9 Ų49.983%0.82629%0.287SS*.THydrogen-bonded Turntrans-73.9-24177.200000114.1P124P124-A126 PolarHBondContact O-N 2.95Å
127N70.9Confident87.8Confident104 Ų10449.6 Ų49.656%0.55629%0.285SS*.SBendtrans-148.182.4176.9-176.742.8000108.9P124 W129P124-N127 CarbonylContact O-C 3.56Å; P124-N127 PolarHBondContact O-N 3.5Å; N127-W129 PolarHBondContact O-N 3.09Å
128P77.3Confident87.9Confident78 Ų7850.4 Ų50.451%0.50629%0.293SS..  trans-57.8115.6-177.1-22.131.6000109.4S123 K130S123-P128 WeakPolarHBondContact OG-CA 3.22Å; P128-K130 PolarHBondContact O-N 3.42Å
129W79.9Confident87.8Confident24 Ų2454.8 Ų54.89%0.09132%0.316CS..  trans-68.4119.8176.3-176.736.2000108.8L29 A32 A33 Y38 V121 S123 N127 D131L29-W129 HydrophobicContact CD1-CH2 3.51Å; L29-W129 HydrophobicContact CD1-CZ2 4.46Å; L29-W129 HydrophobicContact CD1-CZ3 3.58Å; L29-W129 HydrophobicContact CG-CH2 4.38Å; L29-W129 HydrophobicContact CG-CZ3 4.48Å; A32-W129 HydrophobicContact CB-CH2 3.95Å; A32-W129 HydrophobicContact CB-CZ2 3.58Å; A33-W129 VanDerWaalsContact CA-CH2 3.47Å; A33-W129 HydrophobicContact CB-CH2 3.56Å; A33-W129 HydrophobicContact CB-CZ3 3.55Å; A33-W129 VanDerWaalsContact N-CH2 3.26Å; Y38-W129 HydrophobicContact CD2-CB 4.05Å; Y38-W129 AromaticContact CD2-CD2 3.79Å; Y38-W129 HydrophobicContact CD2-CD2 3.79Å; Y38-W129 AromaticContact CD2-CE3 3.84Å; Y38-W129 HydrophobicContact CD2-CE3 3.84Å; Y38-W129 AromaticContact CD2-CG 3.89Å; Y38-W129 HydrophobicContact CD2-CG 3.89Å; Y38-W129 HydrophobicContact CE2-CB 3.78Å; Y38-W129 HydrophobicContact CE2-CD2 4.2Å; Y38-W129 AromaticContact CE2-CG 3.81Å; Y38-W129 HydrophobicContact CE2-CG 3.81Å; V121-W129 HydrophobicContact CG1-CE3 3.96Å; V121-W129 HydrophobicContact CG1-CZ3 3.48Å; V121-W129 VanDerWaalsContact CG1-CZ3 3.48Å; S123-W129 PolarHBondContact OG-N 3.43Å; N127-W129 PolarHBondContact O-N 3.09Å; W129-D131 HydrophobicContact CD2-CB 4.21Å; W129-D131 HydrophobicContact CH2-CB 3.98Å; W129-D131 HydrophobicContact CZ2-CB 3.55Å; W129-D131 WeakPolarHBondContact CZ2-OD2 3.19Å; W129-D131 HydrophobicContact CZ3-CB 4.46Å
130K81.2Confident87.8Confident182 Ų18255.6 Ų55.679%0.79132%0.319SS*.  trans-106.790.6178.1-68.7-173.2178.4-173.60109P128P128-K130 PolarHBondContact O-N 3.42Å
131D88.6Confident87.9Confident23 Ų2355.7 Ų55.712%0.12332%0.32CS..  trans-102.4123.7173-161.7-70.1000110.1L29 W129 A133 L134 D135L29-D131 HydrophobicContact CD1-CB 4.01Å; W129-D131 HydrophobicContact CD2-CB 4.21Å; W129-D131 HydrophobicContact CH2-CB 3.98Å; W129-D131 HydrophobicContact CZ2-CB 3.55Å; W129-D131 WeakPolarHBondContact CZ2-OD2 3.19Å; W129-D131 HydrophobicContact CZ3-CB 4.46Å; D131-A133 PolarHBondContact O-N 3.31Å; D131-A133 VanDerWaalsContact O-N 3.15Å; D131-A133 WeakPolarHBondContact OD1-CA 3.33Å; D131-A133 WeakPolarHBondContact OD1-CB 3.34Å; D131-A133 PolarHBondContact OD1-N 3.44Å; D131-L134 HydrophobicContact CB-CB 4.34Å; D131-L134 VanDerWaalsContact O-CB 3.27Å; D131-L134 WeakPolarHBondContact O-CB 3.13Å; D131-L134 PolarHBondContact O-N 2.73Å; D131-D135 PolarHBondContact O-N 3.29Å
132P93.1Very high87.9Confident89 Ų8961.4 Ų61.458%0.57835%0.347SS*.Hα-helixtrans-58.2-26177.6-24.133.7000114L134 D135 K136P132-L134 VanDerWaalsContact C-N 3.32Å; P132-D135 PolarHBondContact O-N 3.47Å; P132-K136 WeakPolarHBondContact O-CG 3.37Å; P132-K136 PolarHBondContact O-N 3.34Å
133A95.4Very high87.9Confident1 Ų163.6 Ų63.61%0.00836%0.356CS..Hα-helixtrans-69.1-33175.800000111.7A25 E28 L29 D131 K136 L137A25-A133 HydrophobicContact CB-CB 4.13Å; A25-A133 WeakPolarHBondContact O-CB 3.33Å; E28-A133 HydrophobicContact CB-CB 4.14Å; L29-A133 HydrophobicContact CB-CB 4.03Å; D131-A133 PolarHBondContact O-N 3.31Å; D131-A133 VanDerWaalsContact O-N 3.15Å; D131-A133 WeakPolarHBondContact OD1-CA 3.33Å; D131-A133 WeakPolarHBondContact OD1-CB 3.34Å; D131-A133 PolarHBondContact OD1-N 3.44Å; A133-K136 PolarHBondContact O-N 3.02Å; A133-L137 WeakPolarHBondContact O-CB 3.5Å; A133-L137 WeakPolarHBondContact O-CD1 3.41Å; A133-L137 VanDerWaalsContact O-CG 3.29Å; A133-L137 WeakPolarHBondContact O-CG 3.25Å; A133-L137 PolarHBondContact O-N 3.32Å
134L94.3Very high88.2Confident20 Ų2063.1 Ų63.111%0.10535%0.352CS..Hα-helixtrans-64.1-40.9174-175.763.6000111.4L29 A58 F59 D131 P132 L137 S138L29-L134 HydrophobicContact CD1-CB 3.92Å; L29-L134 HydrophobicContact CD2-CD1 4.09Å; A58-L134 HydrophobicContact CB-CD1 4.48Å; A58-L134 HydrophobicContact CB-CD2 3.96Å; F59-L134 HydrophobicContact CB-CD1 3.77Å; F59-L134 HydrophobicContact CD2-CD1 3.88Å; F59-L134 HydrophobicContact CG-CD1 4.11Å; D131-L134 HydrophobicContact CB-CB 4.34Å; D131-L134 VanDerWaalsContact O-CB 3.27Å; D131-L134 WeakPolarHBondContact O-CB 3.13Å; D131-L134 PolarHBondContact O-N 2.73Å; P132-L134 VanDerWaalsContact C-N 3.32Å; L134-L137 PolarHBondContact O-N 3.25Å; L134-S138 WeakPolarHBondContact O-CB 3.42Å; L134-S138 PolarHBondContact O-N 3.03Å; L134-S138 PolarHBondContact O-OG 2.99Å
135D94.4Very high89.1Confident110 Ų11064.4 Ų64.459%0.58835%0.351SS*.Hα-helixtrans-63.9-43.8176.7-67.1-34.7000111.2D131 P132 L137 S138 L139D131-D135 PolarHBondContact O-N 3.29Å; P132-D135 PolarHBondContact O-N 3.47Å; D135-L137 PolarHBondContact O-N 3.49Å; D135-S138 PolarHBondContact O-N 2.87Å; D135-L139 PolarHBondContact O-N 3Å
136K96.1Very high90.3Very high104 Ų10463.7 Ų63.745%0.45235%0.346SS..Hα-helixtrans-60.4-44.5175.7-71.4176.3-175.1173.20112.2A25 P132 A133 S138 L139 F140A25-K136 HydrophobicContact CB-CB 4.16Å; A25-K136 HydrophobicContact CB-CD 4.14Å; P132-K136 WeakPolarHBondContact O-CG 3.37Å; P132-K136 PolarHBondContact O-N 3.34Å; A133-K136 PolarHBondContact O-N 3.02Å; K136-S138 VanDerWaalsContact C-N 3.34Å; K136-L139 PolarHBondContact O-N 3.29Å; K136-F140 PolarHBondContact O-N 3.45Å
137L96.9Very high91.6Very high0 Ų063.8 Ų63.80%034%0.336CS..Hα-helixtrans-68.1-35.9178.5-72.5163.1000111.9A22 A25 L26 L29 F59 A133 L134 D135 F140 C141 I154A22-L137 HydrophobicContact CB-CD2 4.39Å; A22-L137 WeakPolarHBondContact O-CD2 3.5Å; A25-L137 HydrophobicContact CB-CD1 4.5Å; A25-L137 HydrophobicContact CB-CD2 4.37Å; A25-L137 HydrophobicContact CB-CG 4.07Å; L26-L137 HydrophobicContact CB-CD1 4.44Å; L26-L137 HydrophobicContact CB-CD2 4.14Å; L26-L137 HydrophobicContact CD1-CD1 4.17Å; L29-L137 HydrophobicContact CB-CD1 4.11Å; L29-L137 HydrophobicContact CD2-CD1 3.5Å; L29-L137 HydrophobicContact CG-CD1 4.4Å; F59-L137 HydrophobicContact CD2-CB 4.42Å; F59-L137 HydrophobicContact CE1-CD1 4.28Å; F59-L137 HydrophobicContact CE2-CB 3.61Å; F59-L137 HydrophobicContact CE2-CD1 4.48Å; F59-L137 HydrophobicContact CZ-CB 3.76Å; F59-L137 HydrophobicContact CZ-CD1 4.13Å; F59-L137 HydrophobicContact CZ-CD2 4.16Å; F59-L137 HydrophobicContact CZ-CG 4.25Å; A133-L137 WeakPolarHBondContact O-CB 3.5Å; A133-L137 WeakPolarHBondContact O-CD1 3.41Å; A133-L137 VanDerWaalsContact O-CG 3.29Å; A133-L137 WeakPolarHBondContact O-CG 3.25Å; A133-L137 PolarHBondContact O-N 3.32Å; L134-L137 PolarHBondContact O-N 3.25Å; D135-L137 PolarHBondContact O-N 3.49Å; L137-F140 WeakPolarHBondContact O-CB 2.96Å; L137-F140 PolarHBondContact O-N 3.09Å; L137-C141 PolarHBondContact O-N 3.46Å; L137-C141 PolarHBondContact O-SG 3.38Å; L137-C141 VanDerWaalsContact O-SG 3.33Å; L137-I154 HydrophobicContact CD2-CD1 3.7Å
138S95.9Very high92.6Very high33 Ų3368 Ų6823%0.23135%0.346CS..Hα-helixtrans-63.8-43.8175.2-60.40000111.2N91 L134 D135 K136 C141 E142N91-S138 WeakPolarHBondContact ND2-CB 3.43Å; N91-S138 PolarHBondContact ND2-OG 3.46Å; L134-S138 WeakPolarHBondContact O-CB 3.42Å; L134-S138 PolarHBondContact O-N 3.03Å; L134-S138 PolarHBondContact O-OG 2.99Å; D135-S138 PolarHBondContact O-N 2.87Å; K136-S138 VanDerWaalsContact C-N 3.34Å; S138-C141 PolarHBondContact O-N 3.39Å; S138-E142 PolarHBondContact O-N 2.91Å
139L95.9Very high93.5Very high92 Ų9267.7 Ų67.748%0.48234%0.34SS..Hα-helixtrans-62-44.9173.2-179.963.2000111.5D135 K136 C141 E142 E143D135-L139 PolarHBondContact O-N 3Å; K136-L139 PolarHBondContact O-N 3.29Å; L139-C141 VanDerWaalsContact C-N 3.34Å; L139-C141 PolarHBondContact O-N 3.48Å; L139-E142 PolarHBondContact O-N 3.34Å; L139-E142 VanDerWaalsContact O-N 3.17Å; L139-E143 HydrophobicContact CD1-CG 4.33Å; L139-E143 HydrophobicContact CG-CG 4.49Å; L139-E143 WeakPolarHBondContact O-CG 3.46Å; L139-E143 PolarHBondContact O-N 3.07Å
140F97Very high94.1Very high18 Ų1873.3 Ų73.38%0.07936%0.361CS..Hα-helixtrans-56.4-47.4175.7173.4-100.9000111.7V19 A22 K136 L137 E142 E143 S144 P152 I154V19-F140 HydrophobicContact CG2-CE2 4.11Å; V19-F140 HydrophobicContact CG2-CZ 4.39Å; A22-F140 HydrophobicContact CB-CB 4.31Å; A22-F140 HydrophobicContact CB-CD1 4.03Å; A22-F140 HydrophobicContact CB-CD2 3.72Å; A22-F140 HydrophobicContact CB-CE1 4.26Å; A22-F140 HydrophobicContact CB-CE2 3.97Å; A22-F140 HydrophobicContact CB-CG 3.74Å; A22-F140 HydrophobicContact CB-CZ 4.23Å; K136-F140 PolarHBondContact O-N 3.45Å; L137-F140 WeakPolarHBondContact O-CB 2.96Å; L137-F140 PolarHBondContact O-N 3.09Å; F140-E142 PolarHBondContact O-N 3.06Å; F140-E143 PolarHBondContact O-N 3.12Å; F140-S144 PolarHBondContact O-N 3.01Å; F140-S144 PolarHBondContact O-OG 2.91Å; F140-S144 VanDerWaalsContact O-OG 3.13Å; F140-P152 HydrophobicContact CD1-CG 4.24Å; F140-P152 HydrophobicContact CE1-CB 3.67Å; F140-P152 HydrophobicContact CE1-CG 3.7Å; F140-P152 HydrophobicContact CZ-CB 4Å; F140-P152 HydrophobicContact CZ-CG 4.49Å; F140-I154 HydrophobicContact CD1-CD1 3.99Å; F140-I154 HydrophobicContact CD1-CG1 4.33Å; F140-I154 HydrophobicContact CE1-CD1 3.73Å; F140-I154 HydrophobicContact CE1-CG1 3.57Å; F140-I154 HydrophobicContact CZ-CG1 4.02Å
141C97.1Very high94.8Very high2 Ų265.6 Ų65.61%0.01433%0.329CS..Hα-helixtrans-63.6-38.3176.6-68.80000112.7N91 L137 S138 L139 S144 R145N91-C141 HydrophobicContact CB-CB 4.23Å; N91-C141 WeakPolarHBondContact OD1-CB 3.44Å; L137-C141 PolarHBondContact O-N 3.46Å; L137-C141 PolarHBondContact O-SG 3.38Å; L137-C141 VanDerWaalsContact O-SG 3.33Å; S138-C141 PolarHBondContact O-N 3.39Å; L139-C141 VanDerWaalsContact C-N 3.34Å; L139-C141 PolarHBondContact O-N 3.48Å; C141-S144 PolarHBondContact O-N 3.28Å; C141-R145 WeakPolarHBondContact O-CG 3.21Å; C141-R145 PolarHBondContact O-N 3.19Å
142E95.9Very high95.1Very high120 Ų12064.6 Ų64.656%0.56132%0.324SS*.Hα-helixtrans-63.9-44.8175.5-173.6178-167.500112.1S138 L139 F140 R145 S146S138-E142 PolarHBondContact O-N 2.91Å; L139-E142 PolarHBondContact O-N 3.34Å; L139-E142 VanDerWaalsContact O-N 3.17Å; F140-E142 PolarHBondContact O-N 3.06Å; E142-R145 PolarHBondContact O-N 3.1Å; E142-S146 PolarHBondContact O-N 2.82Å; E142-S146 VanDerWaalsContact O-N 3.12Å
143E94.8Very high95.2Very high66 Ų6663.4 Ų63.431%0.30832%0.318SS..Hα-helixtrans-62-44.1175.2-70.6-172.917000111.4R18 L139 F140 R145 S146R18-E143 IonicContact CZ-OE2 2.66Å; R18-E143 IonicContact NH1-OE1 3.67Å; R18-E143 IonicContact NH1-OE2 3.86Å; R18-E143 PolarHBondContact NH1-OE2 3.18Å; L139-E143 HydrophobicContact CD1-CG 4.33Å; L139-E143 HydrophobicContact CG-CG 4.49Å; L139-E143 WeakPolarHBondContact O-CG 3.46Å; L139-E143 PolarHBondContact O-N 3.07Å; F140-E143 PolarHBondContact O-N 3.12Å; E143-R145 PolarHBondContact O-N 3.04Å; E143-S146 WeakPolarHBondContact O-CB 3.16Å; E143-S146 PolarHBondContact O-N 2.96Å; E143-S146 VanDerWaalsContact O-N 3.12Å; E143-S146 PolarHBondContact O-OG 3.43Å
144S95.6Very high95.2Very high11 Ų1163.4 Ų63.48%0.07732%0.318CS..Hα-helixtrans-60.1-42.5174.9-66.90000112.3F140 C141 S146 V147 Y148 D149 P152F140-S144 PolarHBondContact O-N 3.01Å; F140-S144 PolarHBondContact O-OG 2.91Å; F140-S144 VanDerWaalsContact O-OG 3.13Å; C141-S144 PolarHBondContact O-N 3.28Å; S144-S146 PolarHBondContact O-N 3.31Å; S144-V147 CarbonylContact O-C 3.52Å; S144-V147 WeakPolarHBondContact O-CG2 3.33Å; S144-V147 PolarHBondContact O-N 2.97Å; S144-Y148 PolarHBondContact O-N 3Å; S144-D149 CarbonylContact C-O 3.21Å; S144-D149 WeakPolarHBondContact CB-O 3.35Å; S144-D149 PolarHBondContact O-N 3Å; S144-P152 WeakPolarHBondContact OG-CB 3.47Å
145R95Very high95.1Very high71 Ų7166.9 Ų66.927%0.26834%0.34SS..Hα-helixtrans-60.3-34.3175.1-76.5-174-66.6-100.94112.3N91 C141 E142 E143 V147 Y148 D149 W150N91-R145 PolarHBondContact OD1-NH1 3.14Å; N91-R145 PolarHBondContact OD1-NH2 3.2Å; C141-R145 WeakPolarHBondContact O-CG 3.21Å; C141-R145 PolarHBondContact O-N 3.19Å; E142-R145 PolarHBondContact O-N 3.1Å; E143-R145 PolarHBondContact O-N 3.04Å; R145-V147 PolarHBondContact O-N 3Å; R145-Y148 PolarHBondContact O-N 3.21Å; R145-D149 PolarHBondContact N-O 3.4Å; R145-W150 HydrophobicContact CG-CE3 3.88Å; R145-W150 HydrophobicContact CG-CZ3 4.08Å
146S93.9Very high95Very high89 Ų8961.8 Ų61.862%0.62231%0.313SS*.Hα-helixtrans-63.4-22.3177.883.50000113.5E142 E143 S144E142-S146 PolarHBondContact O-N 2.82Å; E142-S146 VanDerWaalsContact O-N 3.12Å; E143-S146 WeakPolarHBondContact O-CB 3.16Å; E143-S146 PolarHBondContact O-N 2.96Å; E143-S146 VanDerWaalsContact O-N 3.12Å; E143-S146 PolarHBondContact O-OG 3.43Å; S144-S146 PolarHBondContact O-N 3.31Å
147V94.1Very high94.6Very high103 Ų10357.6 Ų57.662%0.62430%0.296SS*.THydrogen-bonded Turntrans-107.219.7176-62.10000113.1S144 R145 D149S144-V147 CarbonylContact O-C 3.52Å; S144-V147 WeakPolarHBondContact O-CG2 3.33Å; S144-V147 PolarHBondContact O-N 2.97Å; R145-V147 PolarHBondContact O-N 3Å; V147-D149 HydrophobicContact CG2-CB 4.36Å; V147-D149 PolarHBondContact O-N 2.92Å
148Y93.3Very high93.8Very high191 Ų19167.2 Ų67.275%0.74934%0.338SS*.THydrogen-bonded Turntrans64.419.9179.6-48.1-80.4000115S144 R145S144-Y148 PolarHBondContact O-N 3Å; R145-Y148 PolarHBondContact O-N 3.21Å
149D94.8Very high92.3Very high72 Ų7279.2 Ų79.239%0.38538%0.378SS..  trans-94.195.1170.6-174.211.9000109.8S144 R145 V147 P152S144-D149 CarbonylContact C-O 3.21Å; S144-D149 WeakPolarHBondContact CB-O 3.35Å; S144-D149 PolarHBondContact O-N 3Å; R145-D149 PolarHBondContact N-O 3.4Å; V147-D149 HydrophobicContact CG2-CB 4.36Å; V147-D149 PolarHBondContact O-N 2.92Å; D149-P152 WeakPolarHBondContact OD2-CA 3.39Å; D149-P152 WeakPolarHBondContact OD2-CB 3.35Å
150W92.3Very high92.1Very high142 Ų14278.6 Ų78.654%0.53837%0.373SS..SBendtrans-81.5-24.2-171.1-6596.6000114.2F86 R145F86-W150 HydrophobicContact CE1-CB 3.97Å; F86-W150 HydrophobicContact CE1-CE3 4.34Å; F86-W150 WeakPolarHBondContact CE1-O 3.47Å; F86-W150 HydrophobicContact CZ-CB 3.76Å; R145-W150 HydrophobicContact CG-CE3 3.88Å; R145-W150 HydrophobicContact CG-CZ3 4.08Å
151V95.8Very high91.9Very high20 Ų2081.8 Ų81.812%0.12139%0.389CS..SBendtrans-133.376176.9-167.30000107.9Q82 F86 V92 R94Q82-V151 HydrophobicContact CG-CG2 4.39Å; F86-V151 HydrophobicContact CE2-CG2 4.09Å; F86-V151 HydrophobicContact CZ-CG2 3.51Å; V92-V151 HydrophobicContact CG1-CG1 4.24Å; V92-V151 HydrophobicContact CG1-CG2 4.24Å; V92-V151 HydrophobicContact CG2-CG1 4.2Å; R94-V151 HydrophobicContact CG-CG1 3.72Å
152P96Very high91.6Very high2 Ų286.2 Ų86.21%0.01341%0.409CS..  trans-65.4145.5-172.627.1-34.9000111.5V93 R94 F140 S144 D149V93-P152 WeakPolarHBondContact CA-O 3.48Å; V93-P152 WeakPolarHBondContact CB-O 3.4Å; V93-P152 HydrophobicContact CG1-CG 4.21Å; R94-P152 PolarHBondContact N-O 3.26Å; F140-P152 HydrophobicContact CD1-CG 4.24Å; F140-P152 HydrophobicContact CE1-CB 3.67Å; F140-P152 HydrophobicContact CE1-CG 3.7Å; F140-P152 HydrophobicContact CZ-CB 4Å; F140-P152 HydrophobicContact CZ-CG 4.49Å; S144-P152 WeakPolarHBondContact OG-CB 3.47Å; D149-P152 WeakPolarHBondContact OD2-CA 3.39Å; D149-P152 WeakPolarHBondContact OD2-CB 3.35Å
153S94.8Very high91.3Very high65 Ų6584.2 Ų84.246%0.45540%0.401SS..EExtended strand (participates in β ladder)trans-89.3134.7176.5-65.40000110.9R94R94-S153 CarbonylContact O-C 3.55Å; R94-S153 WeakPolarHBondContact O-CA 3.23Å
154I95.2Very high91.1Very high1 Ų185.4 Ų85.41%0.00541%0.406CS..EExtended strand (participates in β ladder)trans-116134.7175.9-67.6179.7000109A22 G23 L26 V93 R94 L137 F140A22-I154 HydrophobicContact CB-CD1 3.93Å; A22-I154 HydrophobicContact CB-CG1 4.27Å; G23-I154 VanDerWaalsContact CA-CG2 3.43Å; L26-I154 HydrophobicContact CB-CG2 4.44Å; L26-I154 HydrophobicContact CD2-CB 4.28Å; L26-I154 HydrophobicContact CD2-CD1 4.32Å; L26-I154 HydrophobicContact CD2-CG2 3.92Å; V93-I154 HydrophobicContact CB-CD1 4.08Å; V93-I154 HydrophobicContact CB-CG1 4.4Å; V93-I154 HydrophobicContact CG1-CD1 3.86Å; V93-I154 HydrophobicContact CG1-CG1 4.48Å; V93-I154 HydrophobicContact CG2-CD1 4.16Å; R94-I154 PolarHBondContact O-N 3.31Å; L137-I154 HydrophobicContact CD2-CD1 3.7Å; F140-I154 HydrophobicContact CD1-CD1 3.99Å; F140-I154 HydrophobicContact CD1-CG1 4.33Å; F140-I154 HydrophobicContact CE1-CD1 3.73Å; F140-I154 HydrophobicContact CE1-CG1 3.57Å; F140-I154 HydrophobicContact CZ-CG1 4.02Å
155T92.6Very high90.8Very high92 Ų9290.3 Ų90.356%0.56443%0.428SS*.PPolyproline II helixtrans-98123168.1-53.10000108.4G23G23-T155 WeakPolarHBondContact CA-O 3.2Å
156L92Very high90.5Very high3 Ų391.7 Ų91.72%0.01644%0.44CS..PPolyproline II helixtrans-66.7149.3174.5-63.6169.6000109.1L26 V95 R100 L101 L104L26-L156 HydrophobicContact CB-CD2 4.24Å; L26-L156 HydrophobicContact CD2-CD2 3.86Å; L26-L156 HydrophobicContact CG-CD2 4.04Å; V95-L156 HydrophobicContact CG1-CD1 3.96Å; V95-L156 HydrophobicContact CG1-CG 4.09Å; R100-L156 HydrophobicContact CB-CD1 4.46Å; R100-L156 HydrophobicContact CG-CD1 4.2Å; R100-L156 PolarHBondContact NH1-O 3.08Å; L101-L156 HydrophobicContact CB-CD1 4.33Å; L101-L156 HydrophobicContact CD1-CD1 4.32Å; L104-L156 HydrophobicContact CD1-CD1 4Å; L104-L156 HydrophobicContact CD1-CD2 4.28Å
157P88.8Confident90.3Very high17 Ų1791.9 Ų91.911%0.1143%0.426CS..PPolyproline II helixtrans-73.8120.2-178.726.4-35.4000116.5G23 E24 E27 R100 R159G23-P157 VanDerWaalsContact C-CD 3.5Å; G23-P157 WeakPolarHBondContact O-CD 3.48Å; E24-P157 HydrophobicContact CG-CB 4.13Å; E24-P157 HydrophobicContact CG-CG 3.92Å; E27-P157 WeakPolarHBondContact OE2-CG 3.29Å; R100-P157 VanDerWaalsContact CZ-C 3.47Å; R100-P157 PolarHBondContact NH1-O 3.05Å; R100-P157 VanDerWaalsContact NH2-CG 3.26Å; R100-P157 PolarHBondContact NH2-O 3.26Å; P157-R159 PolarHBondContact O-N 3.35Å
158K79.7Confident89.9Confident201 Ų20191 Ų9187%0.87441%0.409SS*.PPolyproline II helixtrans-54.9136.9-176.1-62.5-180-178.4178.50112.9
159R64.2Low89.6Confident286 Ų28681.9 Ų81.9100%1.07938%0.378SS*.  trans-78.60173.3-101.1-174.2173.5-173.1-1.4112.6P157P157-R159 PolarHBondContact O-N 3.35Å

Retrieved 159 of 159 residues in 36.2 ms (Link to these results)

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