A0A077ZDX2_TRITR Loading...

Calcineurin subunit B type 1

AlphaFold DB , UniProt , Accession A0A077ZDX2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 169 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
1M35.9Very low37.4Very low256 Ų256156 Ų156100%1.26181%0.812SS**  0115.40-91.5-86.2-169.700107.4
2G37Very low39Very low76 Ų76147.3 Ų147.378%0.78477%0.766SS**  trans14361.1-179.300000113.9L4G2-L4 PolarHBondContact O-N 3.27Å
3R32.5Very low40.8Very low211 Ų211146.8 Ų146.880%0.79677%0.773SS**  trans-77.5104.7159.3-84.2-174.4-125.9-164.22.8107Y5R3-Y5 HydrophobicContact CB-CD2 4.29Å; R3-Y5 HydrophobicContact CB-CE2 4.26Å; R3-Y5 HydrophobicContact CG-CE2 4.35Å
4L36.1Very low42.9Very low164 Ų164138.4 Ų138.486%0.85973%0.728SS**  trans-107.497.6158.7-87.3159.1000106.5G2 Q6G2-L4 PolarHBondContact O-N 3.27Å; L4-Q6 PolarHBondContact O-N 3.38Å
5Y33.2Very low45.5Very low191 Ų191136.1 Ų136.175%0.74972%0.717SS**  trans-6288.5166.1-80.9-99.6000107.8R3 S7R3-Y5 HydrophobicContact CB-CD2 4.29Å; R3-Y5 HydrophobicContact CB-CE2 4.26Å; R3-Y5 HydrophobicContact CG-CE2 4.35Å; Y5-S7 PolarHBondContact O-N 2.6Å
6Q32.4Very low48Very low167 Ų167132.8 Ų132.878%0.7870%0.704SS**  trans-70.296.1153-71.7-175.8-3.100105.4L4 K8L4-Q6 PolarHBondContact O-N 3.38Å; Q6-K8 PolarHBondContact O-N 2.93Å
7S34.9Very low50.3Low97 Ų97130.9 Ų130.968%0.67869%0.69SS**  trans-55.295.3158-177.40000106.1Y5 C9Y5-S7 PolarHBondContact O-N 2.6Å; S7-C9 PolarHBondContact O-N 3.02Å
8K33.2Very low52.3Low189 Ų189126 Ų12682%0.82266%0.663SS**  trans-64.977.9158.9-89.4176.9172.1176.80105.3Q6 A10Q6-K8 PolarHBondContact O-N 2.93Å; K8-A10 VanDerWaalsContact C-N 3.27Å; K8-A10 PolarHBondContact O-N 3.04Å
9C41.5Very low54.3Low101 Ų101122.9 Ų122.968%0.68265%0.646SS**  trans-51.2109.2150-74.90000103.9S7 Q11S7-C9 PolarHBondContact O-N 3.02Å; C9-Q11 PolarHBondContact O-N 3.12Å
10A45.4Very low56.2Low79 Ų79121.8 Ų121.865%0.65364%0.635SS**  trans-48.2107.1179.700000106.9K8 I12K8-A10 VanDerWaalsContact C-N 3.27Å; K8-A10 PolarHBondContact O-N 3.04Å; A10-I12 PolarHBondContact O-N 3.22Å
11Q49.7Very low57.8Low185 Ų185118.5 Ų118.586%0.86462%0.615SS**  trans-63.1102.8167.1-83.7-177.3-24.200104C9 V13C9-Q11 PolarHBondContact O-N 3.12Å; Q11-V13 PolarHBondContact O-N 3.07Å
12I56.3Low60.5Low52 Ų52106.5 Ų106.527%0.26756%0.556SS.*  trans-61112175.5-62.5-179.3000104.7A10 I14 S79A10-I12 PolarHBondContact O-N 3.22Å; I12-I14 HydrophobicContact CG2-CG1 4.25Å; I12-I14 PolarHBondContact O-N 3.44Å; I12-S79 VanDerWaalsContact CD1-O 3.24Å; I12-S79 WeakPolarHBondContact CD1-O 3.02Å
13V62.7Low63.2Low140 Ų140104.7 Ų104.785%0.84853%0.533SS*.  trans-73.898.1177.7-179.10000106.5Q11Q11-V13 PolarHBondContact O-N 3.07Å
14I69.9Low66.2Low30 Ų30101.4 Ų101.415%0.15452%0.521CS..  trans-82.9130.8173.9-51.9178.3000107.5I12 E18 I19 I75I12-I14 HydrophobicContact CG2-CG1 4.25Å; I12-I14 PolarHBondContact O-N 3.44Å; I14-E18 HydrophobicContact CG2-CB 3.74Å; I14-E18 HydrophobicContact CG2-CG 3.43Å; I14-E18 VanDerWaalsContact CG2-CG 3.43Å; I14-E18 WeakPolarHBondContact CG2-OE2 3.35Å; I14-I19 HydrophobicContact CB-CD1 4.31Å; I14-I19 HydrophobicContact CB-CG1 4.02Å; I14-I19 HydrophobicContact CG2-CD1 4.35Å; I14-I19 HydrophobicContact CG2-CG1 3.56Å; I14-I75 HydrophobicContact CD1-CG2 3.25Å
15D81.8Confident68.9Low104 Ų10498.9 Ų98.956%0.55650%0.5SS*.  trans-74153.6176.3-177.432.2000111.5E17 E18 I19D15-E17 PolarHBondContact O-N 2.94Å; D15-E18 WeakPolarHBondContact O-CB 3.47Å; D15-E18 PolarHBondContact O-N 2.97Å; D15-I19 PolarHBondContact O-N 2.84Å
16T86.2Confident71.9Confident82 Ų8290.4 Ų90.450%0.50347%0.467SS..Hα-helixtrans-54.5-38.5-177.9-60.50000112.4I19 K20T16-I19 PolarHBondContact O-N 2.93Å; T16-K20 HydrophobicContact CG2-CD 4.42Å; T16-K20 WeakPolarHBondContact O-CG 3.42Å; T16-K20 PolarHBondContact O-N 3.3Å
17E87.2Confident75Confident102 Ų10290.5 Ų90.548%0.47747%0.465SS..Hα-helixtrans-71.2-33.9179.4-68.3-53.4122.100113D15 K20 R21D15-E17 PolarHBondContact O-N 2.94Å; E17-K20 PolarHBondContact O-N 3.03Å; E17-K20 IonicContact OE1-NZ 2.73Å; E17-K20 PolarHBondContact OE1-NZ 3.31Å; E17-R21 WeakPolarHBondContact O-CB 3.24Å; E17-R21 PolarHBondContact O-N 2.89Å
18E85.5Confident77.9Confident42 Ų4293.9 Ų93.920%0.19647%0.467CS..Hα-helixtrans-68-44173.3172.6162.2-135.100111.1I14 D15 K20 R21 L22I14-E18 HydrophobicContact CG2-CB 3.74Å; I14-E18 HydrophobicContact CG2-CG 3.43Å; I14-E18 VanDerWaalsContact CG2-CG 3.43Å; I14-E18 WeakPolarHBondContact CG2-OE2 3.35Å; D15-E18 WeakPolarHBondContact O-CB 3.47Å; D15-E18 PolarHBondContact O-N 2.97Å; E18-K20 VanDerWaalsContact C-N 3.33Å; E18-K20 PolarHBondContact O-N 3.02Å; E18-R21 VanDerWaalsContact CG-NH2 3.28Å; E18-R21 WeakPolarHBondContact O-CB 3.31Å; E18-R21 PolarHBondContact O-N 2.99Å; E18-R21 VanDerWaalsContact O-N 3.14Å; E18-R21 IonicContact OE1-NH2 3.21Å; E18-R21 PolarHBondContact OE1-NH2 3.3Å; E18-L22 HydrophobicContact CG-CD1 3.96Å; E18-L22 HydrophobicContact CG-CG 4.41Å; E18-L22 WeakPolarHBondContact O-CG 3.49Å; E18-L22 PolarHBondContact O-N 2.69Å
19I90.2Very high81Confident68 Ų6886 Ų8635%0.34943%0.434SS..Hα-helixtrans-57.5-46.9174.1-65.2171.6000110.5I14 D15 T16 R21 L22 A23I14-I19 HydrophobicContact CB-CD1 4.31Å; I14-I19 HydrophobicContact CB-CG1 4.02Å; I14-I19 HydrophobicContact CG2-CD1 4.35Å; I14-I19 HydrophobicContact CG2-CG1 3.56Å; D15-I19 PolarHBondContact O-N 2.84Å; T16-I19 PolarHBondContact O-N 2.93Å; I19-R21 VanDerWaalsContact C-N 3.32Å; I19-R21 PolarHBondContact O-N 2.97Å; I19-L22 PolarHBondContact O-N 3.17Å; I19-A23 WeakPolarHBondContact O-CB 3.43Å; I19-A23 PolarHBondContact O-N 3.42Å
20K92Very high83.6Confident99 Ų9982.3 Ų82.343%0.4341%0.407SS..Hα-helixtrans-61-39.7177-73.5173.3-173.8166.30112.3T16 E17 E18 R24T16-K20 HydrophobicContact CG2-CD 4.42Å; T16-K20 WeakPolarHBondContact O-CG 3.42Å; T16-K20 PolarHBondContact O-N 3.3Å; E17-K20 PolarHBondContact O-N 3.03Å; E17-K20 IonicContact OE1-NZ 2.73Å; E17-K20 PolarHBondContact OE1-NZ 3.31Å; E18-K20 VanDerWaalsContact C-N 3.33Å; E18-K20 PolarHBondContact O-N 3.02Å; K20-R24 WeakPolarHBondContact O-CG 3.16Å; K20-R24 PolarHBondContact O-N 3.36Å; K20-R24 VanDerWaalsContact O-N 3.14Å; K20-R24 PolarHBondContact O-NH1 2.84Å
21R90.6Very high86.1Confident54 Ų5484.3 Ų84.320%0.20441%0.406CS..Hα-helixtrans-64.7-45.8176.8-179.8-179.162.7-118.90.4111.2E17 E18 I19 R24 R25 P169E17-R21 WeakPolarHBondContact O-CB 3.24Å; E17-R21 PolarHBondContact O-N 2.89Å; E18-R21 VanDerWaalsContact CG-NH2 3.28Å; E18-R21 WeakPolarHBondContact O-CB 3.31Å; E18-R21 PolarHBondContact O-N 2.99Å; E18-R21 VanDerWaalsContact O-N 3.14Å; E18-R21 IonicContact OE1-NH2 3.21Å; E18-R21 PolarHBondContact OE1-NH2 3.3Å; I19-R21 VanDerWaalsContact C-N 3.32Å; I19-R21 PolarHBondContact O-N 2.97Å; R21-R24 PolarHBondContact O-N 2.97Å; R21-R25 PolarHBondContact O-N 3.2Å; R21-R25 VanDerWaalsContact O-N 3.14Å; R21-P169 PolarHBondContact NE-OXT 3.38Å
22L91.8Very high88.4Confident4 Ų481 Ų812%0.02140%0.395CS..Hα-helixtrans-67.2-39178.7-67174.7000111.6E18 I19 R24 R25 F26 F74 I75 I78E18-L22 HydrophobicContact CG-CD1 3.96Å; E18-L22 HydrophobicContact CG-CG 4.41Å; E18-L22 WeakPolarHBondContact O-CG 3.49Å; E18-L22 PolarHBondContact O-N 2.69Å; I19-L22 PolarHBondContact O-N 3.17Å; L22-R24 VanDerWaalsContact C-N 3.31Å; L22-R24 PolarHBondContact O-N 3.42Å; L22-R25 WeakPolarHBondContact O-CB 3.45Å; L22-R25 PolarHBondContact O-N 3.3Å; L22-F26 WeakPolarHBondContact O-CB 3.24Å; L22-F26 PolarHBondContact O-N 2.87Å; L22-F74 HydrophobicContact CB-CE1 4.27Å; L22-F74 HydrophobicContact CD2-CE1 4.21Å; L22-I75 HydrophobicContact CB-CD1 3.34Å; L22-I75 HydrophobicContact CD1-CD1 3.49Å; L22-I75 VanDerWaalsContact CD1-CD1 3.49Å; L22-I75 HydrophobicContact CG-CD1 4.04Å; L22-I78 HydrophobicContact CD1-CG2 4.18Å; L22-I78 HydrophobicContact CD2-CG2 3.87Å
23A94.8Very high90.3Very high37 Ų3781.3 Ų81.331%0.30641%0.411SS..Hα-helixtrans-58-41.2172.600000112.5I19 R25 K27 F71I19-A23 WeakPolarHBondContact O-CB 3.43Å; I19-A23 PolarHBondContact O-N 3.42Å; A23-R25 VanDerWaalsContact C-N 3.33Å; A23-R25 PolarHBondContact O-N 2.79Å; A23-K27 WeakPolarHBondContact O-CB 3.44Å; A23-K27 PolarHBondContact O-N 2.82Å; A23-F71 VanDerWaalsContact CA-CE2 3.5Å; A23-F71 HydrophobicContact CB-CE2 3.99Å; A23-F71 HydrophobicContact CB-CZ 3.68Å
24R95.3Very high92Very high143 Ų14377.7 Ų77.754%0.5439%0.391SS..Hα-helixtrans-67-32.4174.7-72.1-172.4-60.6-90.35.7112.9K20 R21 L22 K28K20-R24 WeakPolarHBondContact O-CG 3.16Å; K20-R24 PolarHBondContact O-N 3.36Å; K20-R24 VanDerWaalsContact O-N 3.14Å; K20-R24 PolarHBondContact O-NH1 2.84Å; R21-R24 PolarHBondContact O-N 2.97Å; L22-R24 VanDerWaalsContact C-N 3.31Å; L22-R24 PolarHBondContact O-N 3.42Å; R24-K28 VanDerWaalsContact O-CG 3.28Å; R24-K28 WeakPolarHBondContact O-CG 3.48Å; R24-K28 PolarHBondContact O-N 3.12Å
25R93.1Very high93.3Very high111 Ų11178 Ų7842%0.41940%0.402SS..Hα-helixtrans-72.6-47.2175.8-73.9-177.5175.61560.9110.5R21 L22 A23 K27 K28 L29R21-R25 PolarHBondContact O-N 3.2Å; R21-R25 VanDerWaalsContact O-N 3.14Å; L22-R25 WeakPolarHBondContact O-CB 3.45Å; L22-R25 PolarHBondContact O-N 3.3Å; A23-R25 VanDerWaalsContact C-N 3.33Å; A23-R25 PolarHBondContact O-N 2.79Å; R25-K27 PolarHBondContact O-N 3.11Å; R25-K28 WeakPolarHBondContact O-CB 3.37Å; R25-K28 PolarHBondContact O-N 3.31Å; R25-L29 PolarHBondContact O-N 3.23Å; R25-L29 VanDerWaalsContact O-N 3.15Å
26F96.3Very high94.1Very high13 Ų1373.6 Ų73.66%0.05738%0.38CS..Hα-helixtrans-54.1-53.6176.3-172.9-84.4000111.2L22 K28 L29 D30 G35 L37 F71 F74L22-F26 WeakPolarHBondContact O-CB 3.24Å; L22-F26 PolarHBondContact O-N 2.87Å; F26-K28 PolarHBondContact O-N 2.81Å; F26-L29 PolarHBondContact O-N 3.34Å; F26-D30 HydrophobicContact CD1-CB 4.34Å; F26-D30 HydrophobicContact CE1-CB 4.14Å; F26-D30 WeakPolarHBondContact O-CB 3.46Å; F26-D30 PolarHBondContact O-N 2.87Å; F26-G35 VanDerWaalsContact CZ-O 3.31Å; F26-G35 WeakPolarHBondContact CZ-O 3.36Å; F26-L37 HydrophobicContact CD2-CD1 3.71Å; F26-L37 HydrophobicContact CD2-CD2 4.47Å; F26-L37 HydrophobicContact CD2-CG 3.95Å; F26-L37 HydrophobicContact CE2-CD1 3.74Å; F26-L37 HydrophobicContact CE2-CD2 4.26Å; F26-L37 HydrophobicContact CE2-CG 3.53Å; F26-L37 HydrophobicContact CZ-CD2 4.33Å; F26-L37 HydrophobicContact CZ-CG 3.93Å; F26-F71 HydrophobicContact CB-CD2 3.77Å; F26-F71 HydrophobicContact CB-CE2 3.99Å; F26-F71 HydrophobicContact CD1-CB 4.42Å; F26-F71 HydrophobicContact CD1-CD2 4.04Å; F26-F71 HydrophobicContact CD2-CB 4.34Å; F26-F71 AromaticContact CD2-CD2 3.74Å; F26-F71 HydrophobicContact CD2-CD2 3.74Å; F26-F71 HydrophobicContact CE1-CB 4.2Å; F26-F71 HydrophobicContact CE2-CB 4.08Å; F26-F71 HydrophobicContact CE2-CD2 4.32Å; F26-F71 HydrophobicContact CG-CB 4.49Å; F26-F71 AromaticContact CG-CD2 3.56Å; F26-F71 HydrophobicContact CG-CD2 3.56Å; F26-F71 HydrophobicContact CG-CE2 4.3Å; F26-F71 HydrophobicContact CG-CG 4.46Å; F26-F71 HydrophobicContact CZ-CB 4.02Å; F26-F74 HydrophobicContact CB-CD1 4.35Å; F26-F74 HydrophobicContact CB-CE1 4.4Å; F26-F74 HydrophobicContact CD2-CB 3.82Å; F26-F74 AromaticContact CD2-CD1 3.91Å; F26-F74 HydrophobicContact CD2-CD1 3.91Å; F26-F74 HydrophobicContact CD2-CD2 4.32Å; F26-F74 AromaticContact CD2-CG 3.76Å; F26-F74 HydrophobicContact CD2-CG 3.76Å; F26-F74 HydrophobicContact CE2-CB 3.99Å; F26-F74 HydrophobicContact CE2-CG 4.37Å
27K97.3Very high94.7Very high169 Ų16969.7 Ų69.774%0.73536%0.356SS*.Hα-helixtrans-60-22178.2-174.4173.1-177.6178.40114.5A23 R25A23-K27 WeakPolarHBondContact O-CB 3.44Å; A23-K27 PolarHBondContact O-N 2.82Å; R25-K27 PolarHBondContact O-N 3.11Å
28K96.4Very high95.2Very high168 Ų16865.7 Ų65.773%0.7334%0.34SS*.Hα-helixtrans-83.7-26175.6-76.6178178.4-1670112.5R24 R25 F26R24-K28 VanDerWaalsContact O-CG 3.28Å; R24-K28 WeakPolarHBondContact O-CG 3.48Å; R24-K28 PolarHBondContact O-N 3.12Å; R25-K28 WeakPolarHBondContact O-CB 3.37Å; R25-K28 PolarHBondContact O-N 3.31Å; F26-K28 PolarHBondContact O-N 2.81Å
29L96.4Very high95.6Very high22 Ų2265.3 Ų65.312%0.11534%0.34CS..Hα-helixtrans-87.2-34.3178.4-72.2169.6000111.7R25 F26 L31 L37 E41 L45R25-L29 PolarHBondContact O-N 3.23Å; R25-L29 VanDerWaalsContact O-N 3.15Å; F26-L29 PolarHBondContact O-N 3.34Å; L29-L31 VanDerWaalsContact C-N 3.29Å; L29-L31 WeakPolarHBondContact O-CG 3.35Å; L29-L31 PolarHBondContact O-N 3.15Å; L29-L37 VanDerWaalsContact C-CD2 3.5Å; L29-L37 HydrophobicContact CB-CD1 4.14Å; L29-L37 HydrophobicContact CB-CD2 3.57Å; L29-L37 HydrophobicContact CD1-CD1 4.2Å; L29-E41 WeakPolarHBondContact O-CB 3.4Å; L29-E41 WeakPolarHBondContact O-CG 3.43Å; L29-L45 HydrophobicContact CD1-CD1 4.45Å; L29-L45 HydrophobicContact CD2-CD1 3.75Å; L29-L45 HydrophobicContact CD2-CD2 3.76Å; L29-L45 HydrophobicContact CD2-CG 3.63Å
30D97.9Very high95.9Very high24 Ų2468.9 Ų68.913%0.12836%0.355CS..  trans-70.585.6172.1178.89.5000108.5F26 G33 S34 G35 L37 E41F26-D30 HydrophobicContact CD1-CB 4.34Å; F26-D30 HydrophobicContact CE1-CB 4.14Å; F26-D30 WeakPolarHBondContact O-CB 3.46Å; F26-D30 PolarHBondContact O-N 2.87Å; D30-G33 WeakPolarHBondContact OD1-CA 3.47Å; D30-G33 PolarHBondContact OD1-N 3.44Å; D30-S34 PolarHBondContact OD1-N 2.75Å; D30-G35 WeakPolarHBondContact OD2-CA 3.41Å; D30-G35 PolarHBondContact OD2-N 3.37Å; D30-L37 HydrophobicContact CB-CD2 3.82Å; D30-L37 VanDerWaalsContact N-CD2 3.26Å; D30-E41 WeakPolarHBondContact CA-OE1 3.41Å
31L97.1Very high96.2Very high121 Ų12164.5 Ų64.563%0.63434%0.336SS*.SBendtrans-77.6-30.7-172.4-66.6-178.7000111.4L29 E41L29-L31 VanDerWaalsContact C-N 3.29Å; L29-L31 WeakPolarHBondContact O-CG 3.35Å; L29-L31 PolarHBondContact O-N 3.15Å; L31-E41 HydrophobicContact CB-CG 4.27Å; L31-E41 HydrophobicContact CD1-CG 4.38Å; L31-E41 HydrophobicContact CG-CG 4.23Å; L31-E41 PolarHBondContact N-OE1 3.02Å
32D97.2Very high96.5Very high117 Ų11762.7 Ų62.763%0.62633%0.33SS*.SBendtrans-94.4-12.6179.376.4-2.2000113.8S34 E41D32-S34 WeakPolarHBondContact OD1-CB 3.3Å; D32-S34 PolarHBondContact OD1-N 2.98Å; D32-S34 PolarHBondContact OD1-OG 3.1Å; D32-E41 PolarHBondContact N-OE1 3.41Å
33G97.1Very high96.7Very high58 Ų5865.6 Ų65.660%0.59834%0.344SS*.  trans77.321178.600000113.4D30 G35D30-G33 WeakPolarHBondContact OD1-CA 3.47Å; D30-G33 PolarHBondContact OD1-N 3.44Å; G33-G35 PolarHBondContact O-N 2.72Å
34S97.7Very high96.7Very high63 Ų6366.2 Ų66.244%0.44135%0.346SS..SBendtrans-63.8-25.9177.660.80000112.6D30 D32 A36D30-S34 PolarHBondContact OD1-N 2.75Å; D32-S34 WeakPolarHBondContact OD1-CB 3.3Å; D32-S34 PolarHBondContact OD1-N 2.98Å; D32-S34 PolarHBondContact OD1-OG 3.1Å; S34-A36 VanDerWaalsContact C-N 3.35Å; S34-A36 PolarHBondContact OG-N 3.43Å; S34-A36 PolarHBondContact OG-O 3.24Å; S34-A36 VanDerWaalsContact OG-O 3.06Å
35G97.7Very high96.6Very high37 Ų3762.2 Ų62.238%0.38134%0.335SS..SBendtrans866.8-172.600000114F26 D30 G33F26-G35 VanDerWaalsContact CZ-O 3.31Å; F26-G35 WeakPolarHBondContact CZ-O 3.36Å; D30-G35 WeakPolarHBondContact OD2-CA 3.41Å; D30-G35 PolarHBondContact OD2-N 3.37Å; G33-G35 PolarHBondContact O-N 2.72Å
36A98.4Very high96.7Very high11 Ų1161.2 Ų61.29%0.09134%0.343CS..EExtended strand (participates in β ladder)trans-131162.3171.600000109.5S34 E68 V69S34-A36 VanDerWaalsContact C-N 3.35Å; S34-A36 PolarHBondContact OG-N 3.43Å; S34-A36 PolarHBondContact OG-O 3.24Å; S34-A36 VanDerWaalsContact OG-O 3.06Å; A36-E68 HydrophobicContact CB-CB 3.76Å; A36-E68 WeakPolarHBondContact CB-OE2 3.34Å; A36-V69 CarbonylContact C-O 3.47Å
37L98.3Very high96.5Very high0 Ų067.8 Ų67.80%037%0.374CS..EExtended strand (participates in β ladder)trans-109.7115.7177-61.5178.7000110F26 L29 D30 E41 F42 E68 V69 F74F26-L37 HydrophobicContact CD2-CD1 3.71Å; F26-L37 HydrophobicContact CD2-CD2 4.47Å; F26-L37 HydrophobicContact CD2-CG 3.95Å; F26-L37 HydrophobicContact CE2-CD1 3.74Å; F26-L37 HydrophobicContact CE2-CD2 4.26Å; F26-L37 HydrophobicContact CE2-CG 3.53Å; F26-L37 HydrophobicContact CZ-CD2 4.33Å; F26-L37 HydrophobicContact CZ-CG 3.93Å; L29-L37 VanDerWaalsContact C-CD2 3.5Å; L29-L37 HydrophobicContact CB-CD1 4.14Å; L29-L37 HydrophobicContact CB-CD2 3.57Å; L29-L37 HydrophobicContact CD1-CD1 4.2Å; D30-L37 HydrophobicContact CB-CD2 3.82Å; D30-L37 VanDerWaalsContact N-CD2 3.26Å; L37-E41 WeakPolarHBondContact CA-OE2 3.4Å; L37-F42 HydrophobicContact CB-CD2 4.04Å; L37-F42 HydrophobicContact CB-CE2 3.48Å; L37-F42 VanDerWaalsContact CB-CE2 3.48Å; L37-F42 HydrophobicContact CB-CZ 4.03Å; L37-F42 HydrophobicContact CD1-CE1 4.27Å; L37-F42 HydrophobicContact CD1-CE2 4.1Å; L37-F42 HydrophobicContact CD1-CZ 3.76Å; L37-F42 HydrophobicContact CG-CE2 4.44Å; L37-E68 WeakPolarHBondContact O-CA 3.41Å; L37-V69 HydrophobicContact CB-CB 4.39Å; L37-V69 PolarHBondContact N-O 3.03Å; L37-V69 PolarHBondContact O-N 3.37Å; L37-F74 HydrophobicContact CD1-CD2 3.89Å; L37-F74 HydrophobicContact CD1-CE2 4.16Å
38S97.5Very high96.3Very high19 Ų1961.9 Ų61.913%0.13335%0.35CS..  trans-73.5163.8170.561.40000112E40 E41 F42S38-E40 PolarHBondContact O-N 2.95Å; S38-E41 PolarHBondContact N-OE2 2.74Å; S38-E41 PolarHBondContact O-N 3.45Å; S38-E41 VanDerWaalsContact OG-CD 3.32Å; S38-E41 VanDerWaalsContact OG-CG 3.26Å; S38-E41 WeakPolarHBondContact OG-CG 3.43Å; S38-E41 PolarHBondContact OG-N 3.1Å; S38-E41 PolarHBondContact OG-OE2 2.94Å; S38-F42 WeakPolarHBondContact O-CD2 3.4Å; S38-F42 PolarHBondContact O-N 2.77Å; S38-F42 VanDerWaalsContact O-N 3.13Å
39V95.9Very high96.2Very high33 Ų3358.4 Ų58.420%0.234%0.336CS..Hα-helixtrans-58.3-41.3173.51770000110.7E41 F42 M43 I58V39-E41 VanDerWaalsContact C-N 3.3Å; V39-E41 PolarHBondContact O-N 2.81Å; V39-F42 PolarHBondContact O-N 3.36Å; V39-M43 HydrophobicContact CG1-CG 4.17Å; V39-M43 WeakPolarHBondContact O-CB 3.48Å; V39-M43 WeakPolarHBondContact O-CG 3.21Å; V39-M43 PolarHBondContact O-N 3.2Å; V39-I58 HydrophobicContact CB-CD1 4.4Å; V39-I58 HydrophobicContact CG1-CD1 4.29Å; V39-I58 HydrophobicContact CG2-CD1 4.13Å; V39-I58 HydrophobicContact CG2-CG2 4.36Å
40E96.3Very high96Very high143 Ų14365.6 Ų65.667%0.66837%0.37SS*.Hα-helixtrans-59.8-39.6178.3-70.471.2-160.700112.1S38 M43 S44S38-E40 PolarHBondContact O-N 2.95Å; E40-M43 CarbonylContact O-C 3.59Å; E40-M43 PolarHBondContact O-N 2.96Å; E40-S44 PolarHBondContact O-N 2.9Å
41E97.8Very high95.9Very high8 Ų868 Ų684%0.03738%0.382CS..Hα-helixtrans-69.9-39.3177.3-75.9167.613800112.4L29 D30 L31 D32 L37 S38 V39 M43 S44L29-E41 WeakPolarHBondContact O-CB 3.4Å; L29-E41 WeakPolarHBondContact O-CG 3.43Å; D30-E41 WeakPolarHBondContact CA-OE1 3.41Å; L31-E41 HydrophobicContact CB-CG 4.27Å; L31-E41 HydrophobicContact CD1-CG 4.38Å; L31-E41 HydrophobicContact CG-CG 4.23Å; L31-E41 PolarHBondContact N-OE1 3.02Å; D32-E41 PolarHBondContact N-OE1 3.41Å; L37-E41 WeakPolarHBondContact CA-OE2 3.4Å; S38-E41 PolarHBondContact N-OE2 2.74Å; S38-E41 PolarHBondContact O-N 3.45Å; S38-E41 VanDerWaalsContact OG-CD 3.32Å; S38-E41 VanDerWaalsContact OG-CG 3.26Å; S38-E41 WeakPolarHBondContact OG-CG 3.43Å; S38-E41 PolarHBondContact OG-N 3.1Å; S38-E41 PolarHBondContact OG-OE2 2.94Å; V39-E41 VanDerWaalsContact C-N 3.3Å; V39-E41 PolarHBondContact O-N 2.81Å; E41-M43 VanDerWaalsContact C-N 3.31Å; E41-M43 PolarHBondContact O-N 3.16Å; E41-S44 VanDerWaalsContact O-CB 3.28Å; E41-S44 WeakPolarHBondContact O-CB 3.48Å; E41-S44 PolarHBondContact O-N 3.11Å; E41-S44 PolarHBondContact O-OG 2.82Å
42F95.8Very high95.8Very high16 Ų1665.3 Ų65.37%0.0737%0.372CS..Hα-helixtrans-60.8-42.5168.6-81.6-76.3000111.5L37 S38 V39 S44 L45 L48 I58 V69 F74L37-F42 HydrophobicContact CB-CD2 4.04Å; L37-F42 HydrophobicContact CB-CE2 3.48Å; L37-F42 VanDerWaalsContact CB-CE2 3.48Å; L37-F42 HydrophobicContact CB-CZ 4.03Å; L37-F42 HydrophobicContact CD1-CE1 4.27Å; L37-F42 HydrophobicContact CD1-CE2 4.1Å; L37-F42 HydrophobicContact CD1-CZ 3.76Å; L37-F42 HydrophobicContact CG-CE2 4.44Å; S38-F42 WeakPolarHBondContact O-CD2 3.4Å; S38-F42 PolarHBondContact O-N 2.77Å; S38-F42 VanDerWaalsContact O-N 3.13Å; V39-F42 PolarHBondContact O-N 3.36Å; F42-S44 PolarHBondContact O-N 3.29Å; F42-L45 WeakPolarHBondContact O-CB 3.15Å; F42-L45 PolarHBondContact O-N 3.02Å; F42-L45 VanDerWaalsContact O-N 3.17Å; F42-L48 HydrophobicContact CD1-CD1 4.3Å; F42-I58 HydrophobicContact CB-CD1 3.76Å; F42-I58 HydrophobicContact CD2-CD1 3.59Å; F42-I58 HydrophobicContact CD2-CG1 3.73Å; F42-I58 HydrophobicContact CE2-CD1 4.34Å; F42-I58 HydrophobicContact CE2-CG1 3.99Å; F42-I58 HydrophobicContact CG-CD1 3.76Å; F42-I58 HydrophobicContact CG-CG1 4.01Å; F42-V69 HydrophobicContact CE2-CB 4Å; F42-V69 HydrophobicContact CE2-CG2 3.86Å; F42-V69 HydrophobicContact CZ-CB 4.22Å; F42-V69 HydrophobicContact CZ-CG1 4.49Å; F42-V69 HydrophobicContact CZ-CG2 4.21Å; F42-F74 HydrophobicContact CZ-CD2 4.44Å
43M95.7Very high95.8Very high65 Ų6561.5 Ų61.532%0.3235%0.352SS..Hα-helixtrans-74.2-6.8179.9-65.1-62.5-7800113.6V39 E40 E41 L45 Q49 V54V39-M43 HydrophobicContact CG1-CG 4.17Å; V39-M43 WeakPolarHBondContact O-CB 3.48Å; V39-M43 WeakPolarHBondContact O-CG 3.21Å; V39-M43 PolarHBondContact O-N 3.2Å; E40-M43 CarbonylContact O-C 3.59Å; E40-M43 PolarHBondContact O-N 2.96Å; E41-M43 VanDerWaalsContact C-N 3.31Å; E41-M43 PolarHBondContact O-N 3.16Å; M43-L45 PolarHBondContact O-N 3.5Å; M43-Q49 WeakPolarHBondContact CE-O 3.48Å; M43-Q49 WeakPolarHBondContact O-CG 3.39Å; M43-Q49 PolarHBondContact O-NE2 3.14Å; M43-V54 HydrophobicContact SD-CB 4.34Å; M43-V54 HydrophobicContact SD-CG1 3.91Å
44S95Very high95.7Very high50 Ų5059.1 Ų59.135%0.3533%0.326SS..THydrogen-bonded Turntrans-66.7-21.4167.680.90000112.4E40 E41 F42 P46E40-S44 PolarHBondContact O-N 2.9Å; E41-S44 VanDerWaalsContact O-CB 3.28Å; E41-S44 WeakPolarHBondContact O-CB 3.48Å; E41-S44 PolarHBondContact O-N 3.11Å; E41-S44 PolarHBondContact O-OG 2.82Å; F42-S44 PolarHBondContact O-N 3.29Å; S44-P46 VanDerWaalsContact O-CD 3.31Å; S44-P46 WeakPolarHBondContact O-CD 3.33Å
45L94.4Very high95.6Very high59 Ų5960.1 Ų60.131%0.30932%0.323SS..SBendtrans-77.6114.4174.8-67.5177.2000110.9L29 F42 M43 E47 L48 Q49L29-L45 HydrophobicContact CD1-CD1 4.45Å; L29-L45 HydrophobicContact CD2-CD1 3.75Å; L29-L45 HydrophobicContact CD2-CD2 3.76Å; L29-L45 HydrophobicContact CD2-CG 3.63Å; F42-L45 WeakPolarHBondContact O-CB 3.15Å; F42-L45 PolarHBondContact O-N 3.02Å; F42-L45 VanDerWaalsContact O-N 3.17Å; M43-L45 PolarHBondContact O-N 3.5Å; L45-E47 PolarHBondContact O-N 3.12Å; L45-E47 VanDerWaalsContact O-N 3.11Å; L45-L48 HydrophobicContact CB-CB 4.26Å; L45-L48 HydrophobicContact CB-CD1 4.18Å; L45-L48 HydrophobicContact CB-CG 3.98Å; L45-L48 HydrophobicContact CD1-CD1 3.76Å; L45-L48 HydrophobicContact CD1-CG 4.23Å; L45-L48 PolarHBondContact O-N 2.8Å; L45-Q49 PolarHBondContact O-N 3.43Å
46P94.3Very high95.6Very high89 Ų8958.9 Ų58.958%0.57831%0.307SS*.THydrogen-bonded Turntrans-56.3-31.7-179.2-2636000113.7S44 L48 Q49S44-P46 VanDerWaalsContact O-CD 3.31Å; S44-P46 WeakPolarHBondContact O-CD 3.33Å; P46-L48 PolarHBondContact O-N 3.47Å; P46-Q49 PolarHBondContact O-N 3.08Å
47E92.5Very high95.5Very high151 Ų15160.5 Ų60.571%0.70632%0.316SS*.THydrogen-bonded Turntrans-68.5-20.2179.4-56.982.417900113.1L45L45-E47 PolarHBondContact O-N 3.12Å; L45-E47 VanDerWaalsContact O-N 3.11Å
48L94.3Very high95.5Very high45 Ų4560.7 Ų60.724%0.23632%0.317CS..THydrogen-bonded Turntrans-97.9-24.3-179.8-61.6-169.4000113F42 L45 P46 Q50 N51 V54F42-L48 HydrophobicContact CD1-CD1 4.3Å; L45-L48 HydrophobicContact CB-CB 4.26Å; L45-L48 HydrophobicContact CB-CD1 4.18Å; L45-L48 HydrophobicContact CB-CG 3.98Å; L45-L48 HydrophobicContact CD1-CD1 3.76Å; L45-L48 HydrophobicContact CD1-CG 4.23Å; L45-L48 PolarHBondContact O-N 2.8Å; P46-L48 PolarHBondContact O-N 3.47Å; L48-Q50 PolarHBondContact O-N 3.3Å; L48-N51 PolarHBondContact O-N 3.4Å; L48-V54 HydrophobicContact CB-CG2 3.87Å; L48-V54 HydrophobicContact CD2-CG2 4.29Å; L48-V54 HydrophobicContact CG-CG2 4.49Å; L48-V54 WeakPolarHBondContact O-CG2 3.49Å
49Q93.1Very high95.4Very high95 Ų9561.8 Ų61.844%0.44432%0.321SS..THydrogen-bonded Turntrans-54-30.7-170.7-75.6179.2-5.100115.7M43 L45 P46M43-Q49 WeakPolarHBondContact CE-O 3.48Å; M43-Q49 WeakPolarHBondContact O-CG 3.39Å; M43-Q49 PolarHBondContact O-NE2 3.14Å; L45-Q49 PolarHBondContact O-N 3.43Å; P46-Q49 PolarHBondContact O-N 3.08Å
50Q92.8Very high95.5Very high174 Ų17460.9 Ų60.981%0.81332%0.315SS*.THydrogen-bonded Turntrans-104.52.2-177.6-59.6-57.2-47.100113.2L48 P52L48-Q50 PolarHBondContact O-N 3.3Å; Q50-P52 WeakPolarHBondContact O-CD 3.37Å
51N94.9Very high95.5Very high73 Ų7354.5 Ų54.539%0.3929%0.285SS..  trans-87.8113.8-178.2-179.8-12.6000110L48 L53 V54L48-N51 PolarHBondContact O-N 3.4Å; N51-L53 PolarHBondContact O-N 3.4Å; N51-L53 VanDerWaalsContact O-N 3.1Å; N51-L53 PolarHBondContact OD1-N 2.89Å; N51-V54 HydrophobicContact CB-CG2 3.73Å; N51-V54 WeakPolarHBondContact O-CG2 3.22Å; N51-V54 PolarHBondContact O-N 3.16Å
52P95.7Very high95.5Very high66 Ų6654.6 Ų54.643%0.42929%0.286SS..THydrogen-bonded Turntrans-69.1-10.1-175.129.5-36.1000113.9Q50 M117 M118Q50-P52 WeakPolarHBondContact O-CD 3.37Å; P52-M117 HydrophobicContact CB-CB 4.25Å; P52-M117 VanDerWaalsContact CB-O 3.25Å; P52-M117 WeakPolarHBondContact CB-O 3.49Å; P52-M118 HydrophobicContact CG-CG 4.42Å
53L96.3Very high95.5Very high36 Ų3657.5 Ų57.519%0.18831%0.305CS..THydrogen-bonded Turntrans-100.22.7-178.2-59.2179.7000113.4N51 Q55 R56 V57 I97 V114 M118N51-L53 PolarHBondContact O-N 3.4Å; N51-L53 VanDerWaalsContact O-N 3.1Å; N51-L53 PolarHBondContact OD1-N 2.89Å; L53-Q55 VanDerWaalsContact C-N 3.34Å; L53-Q55 PolarHBondContact O-N 2.89Å; L53-R56 HydrophobicContact CD2-CG 4.46Å; L53-R56 WeakPolarHBondContact O-CB 3.24Å; L53-R56 PolarHBondContact O-N 3.47Å; L53-R56 VanDerWaalsContact O-N 3.11Å; L53-V57 PolarHBondContact O-N 3.37Å; L53-I97 HydrophobicContact CD1-CG2 4.4Å; L53-I97 HydrophobicContact CD2-CG2 4.19Å; L53-V114 HydrophobicContact CD2-CG1 4.07Å; L53-M118 HydrophobicContact CD1-CG 4.34Å; L53-M118 HydrophobicContact CD1-SD 4.07Å; L53-M118 HydrophobicContact CD2-CG 4.03Å; L53-M118 HydrophobicContact CG-CG 4.26Å
54V96.2Very high95.6Very high9 Ų959.1 Ų59.16%0.05532%0.315CS..Hα-helixtrans-58.7-46.1-177.9170.60000111.5M43 L48 N51 R56 V57 I58M43-V54 HydrophobicContact SD-CB 4.34Å; M43-V54 HydrophobicContact SD-CG1 3.91Å; L48-V54 HydrophobicContact CB-CG2 3.87Å; L48-V54 HydrophobicContact CD2-CG2 4.29Å; L48-V54 HydrophobicContact CG-CG2 4.49Å; L48-V54 WeakPolarHBondContact O-CG2 3.49Å; N51-V54 HydrophobicContact CB-CG2 3.73Å; N51-V54 WeakPolarHBondContact O-CG2 3.22Å; N51-V54 PolarHBondContact O-N 3.16Å; V54-R56 VanDerWaalsContact C-N 3.27Å; V54-R56 PolarHBondContact O-N 3.27Å; V54-V57 WeakPolarHBondContact O-CB 3.49Å; V54-V57 PolarHBondContact O-N 3.32Å; V54-V57 VanDerWaalsContact O-N 3.08Å; V54-I58 HydrophobicContact CG1-CD1 3.74Å; V54-I58 HydrophobicContact CG1-CG1 4.34Å; V54-I58 WeakPolarHBondContact O-CG1 3.45Å; V54-I58 PolarHBondContact O-N 3.28Å
55Q95.8Very high95.6Very high83 Ų8359.2 Ų59.239%0.38832%0.323SS..Hα-helixtrans-57.8-43.2176.8-170.661.351.600111.3L53 V57 I58 D59L53-Q55 VanDerWaalsContact C-N 3.34Å; L53-Q55 PolarHBondContact O-N 2.89Å; Q55-V57 VanDerWaalsContact C-N 3.3Å; Q55-V57 PolarHBondContact O-N 3.29Å; Q55-I58 PolarHBondContact O-N 2.72Å; Q55-I58 VanDerWaalsContact O-N 3.16Å; Q55-D59 PolarHBondContact NE2-OD1 3.49Å; Q55-D59 WeakPolarHBondContact O-CB 3.16Å; Q55-D59 PolarHBondContact O-N 2.8Å
56R97.1Very high95.7Very high12 Ų1260.6 Ų60.65%0.04533%0.331CS..Hα-helixtrans-61.4-38.3177.4-59.4-54.4-55.4142.35.1112.3L53 V54 D59 I60 K96 I97 M100 M117L53-R56 HydrophobicContact CD2-CG 4.46Å; L53-R56 WeakPolarHBondContact O-CB 3.24Å; L53-R56 PolarHBondContact O-N 3.47Å; L53-R56 VanDerWaalsContact O-N 3.11Å; V54-R56 VanDerWaalsContact C-N 3.27Å; V54-R56 PolarHBondContact O-N 3.27Å; R56-D59 IonicContact CZ-OD2 3.83Å; R56-D59 IonicContact NH1-OD2 3.77Å; R56-D59 PolarHBondContact NH1-OD2 3.2Å; R56-I60 WeakPolarHBondContact O-CD1 3.21Å; R56-I60 WeakPolarHBondContact O-CG1 3.32Å; R56-I60 PolarHBondContact O-N 2.95Å; R56-K96 PolarHBondContact NH2-O 3.08Å; R56-I97 HydrophobicContact CB-CD1 4Å; R56-I97 HydrophobicContact CB-CG2 4.26Å; R56-I97 PolarHBondContact NE-O 3.33Å; R56-I97 PolarHBondContact NH2-O 3.4Å; R56-M100 VanDerWaalsContact NH2-CA 3.3Å; R56-M117 HydrophobicContact CG-SD 4.06Å
57V96.5Very high95.7Very high45 Ų4558.4 Ų58.427%0.27333%0.325SS..Hα-helixtrans-66.9-42.7175.7172.30000111.2L53 V54 Q55 I60 F61 F93 I97L53-V57 PolarHBondContact O-N 3.37Å; V54-V57 WeakPolarHBondContact O-CB 3.49Å; V54-V57 PolarHBondContact O-N 3.32Å; V54-V57 VanDerWaalsContact O-N 3.08Å; Q55-V57 VanDerWaalsContact C-N 3.3Å; Q55-V57 PolarHBondContact O-N 3.29Å; V57-I60 PolarHBondContact O-N 3.45Å; V57-F61 HydrophobicContact CG1-CD1 4.39Å; V57-F61 HydrophobicContact CG1-CE1 4.08Å; V57-F61 HydrophobicContact CG1-CZ 4.16Å; V57-F61 WeakPolarHBondContact O-CD1 3.25Å; V57-F61 PolarHBondContact O-N 3.14Å; V57-F61 VanDerWaalsContact O-N 3.09Å; V57-F93 HydrophobicContact CG1-CZ 4.19Å; V57-F93 HydrophobicContact CG2-CE1 4.43Å; V57-F93 HydrophobicContact CG2-CZ 4.22Å; V57-I97 HydrophobicContact CG2-CD1 3.85Å
58I97Very high96Very high3 Ų355 Ų552%0.01531%0.309CS..Hα-helixtrans-61.5-48.9176.3-66.8168.9000109.9V39 F42 V54 Q55 I60 F61 D62 V69V39-I58 HydrophobicContact CB-CD1 4.4Å; V39-I58 HydrophobicContact CG1-CD1 4.29Å; V39-I58 HydrophobicContact CG2-CD1 4.13Å; V39-I58 HydrophobicContact CG2-CG2 4.36Å; F42-I58 HydrophobicContact CB-CD1 3.76Å; F42-I58 HydrophobicContact CD2-CD1 3.59Å; F42-I58 HydrophobicContact CD2-CG1 3.73Å; F42-I58 HydrophobicContact CE2-CD1 4.34Å; F42-I58 HydrophobicContact CE2-CG1 3.99Å; F42-I58 HydrophobicContact CG-CD1 3.76Å; F42-I58 HydrophobicContact CG-CG1 4.01Å; V54-I58 HydrophobicContact CG1-CD1 3.74Å; V54-I58 HydrophobicContact CG1-CG1 4.34Å; V54-I58 WeakPolarHBondContact O-CG1 3.45Å; V54-I58 PolarHBondContact O-N 3.28Å; Q55-I58 PolarHBondContact O-N 2.72Å; Q55-I58 VanDerWaalsContact O-N 3.16Å; I58-I60 PolarHBondContact O-N 3.26Å; I58-I60 VanDerWaalsContact O-N 3.09Å; I58-F61 WeakPolarHBondContact O-CA 3.35Å; I58-F61 PolarHBondContact O-N 3.36Å; I58-D62 PolarHBondContact O-N 3.19Å; I58-V69 HydrophobicContact CG2-CG2 3.96Å
59D97.1Very high96.2Very high43 Ų4352.9 Ų52.923%0.2330%0.298CS..Hα-helixtrans-59.1-25177.4-59.2-18.5000112.4Q55 R56 R102Q55-D59 PolarHBondContact NE2-OD1 3.49Å; Q55-D59 WeakPolarHBondContact O-CB 3.16Å; Q55-D59 PolarHBondContact O-N 2.8Å; R56-D59 IonicContact CZ-OD2 3.83Å; R56-D59 IonicContact NH1-OD2 3.77Å; R56-D59 PolarHBondContact NH1-OD2 3.2Å; D59-R102 PolarHBondContact O-NH2 3.03Å
60I97Very high96.4Very high14 Ų1450.7 Ų50.77%0.07229%0.289CS..Hα-helixtrans-82.6-32.1175.3-66.7163.8000111.5R56 V57 I58 F93 K96 I97R56-I60 WeakPolarHBondContact O-CD1 3.21Å; R56-I60 WeakPolarHBondContact O-CG1 3.32Å; R56-I60 PolarHBondContact O-N 2.95Å; V57-I60 PolarHBondContact O-N 3.45Å; I58-I60 PolarHBondContact O-N 3.26Å; I58-I60 VanDerWaalsContact O-N 3.09Å; I60-F93 HydrophobicContact CB-CE2 4.08Å; I60-F93 HydrophobicContact CB-CZ 4.42Å; I60-F93 HydrophobicContact CD1-CE1 4.28Å; I60-F93 HydrophobicContact CD1-CE2 4.16Å; I60-F93 HydrophobicContact CD1-CZ 3.92Å; I60-F93 HydrophobicContact CG2-CD2 3.84Å; I60-F93 HydrophobicContact CG2-CE2 3.44Å; I60-F93 VanDerWaalsContact CG2-CE2 3.44Å; I60-F93 HydrophobicContact CG2-CZ 4.22Å; I60-K96 HydrophobicContact CD1-CB 3.7Å; I60-K96 HydrophobicContact CG1-CB 3.87Å; I60-K96 HydrophobicContact CG2-CB 4.44Å; I60-K96 HydrophobicContact CG2-CD 3.95Å; I60-I97 HydrophobicContact CD1-CD1 3.46Å; I60-I97 VanDerWaalsContact CD1-CD1 3.46Å; I60-I97 HydrophobicContact CD1-CG1 3.89Å
61F96.9Very high96.6Very high9 Ų945.8 Ų45.84%0.03927%0.266CS..Hα-helixtrans-75.8-40.9178.8-78.420000111V57 I58 T63 V69 E73 I78 F81 F93V57-F61 HydrophobicContact CG1-CD1 4.39Å; V57-F61 HydrophobicContact CG1-CE1 4.08Å; V57-F61 HydrophobicContact CG1-CZ 4.16Å; V57-F61 WeakPolarHBondContact O-CD1 3.25Å; V57-F61 PolarHBondContact O-N 3.14Å; V57-F61 VanDerWaalsContact O-N 3.09Å; I58-F61 WeakPolarHBondContact O-CA 3.35Å; I58-F61 PolarHBondContact O-N 3.36Å; F61-T63 WeakPolarHBondContact O-CG2 3.44Å; F61-T63 PolarHBondContact O-N 3.19Å; F61-V69 HydrophobicContact CB-CG1 3.87Å; F61-V69 HydrophobicContact CB-CG2 3.77Å; F61-V69 HydrophobicContact CD2-CG1 4.28Å; F61-E73 WeakPolarHBondContact O-CB 3.44Å; F61-I78 HydrophobicContact CE2-CD1 3.86Å; F61-I78 HydrophobicContact CE2-CG1 4.1Å; F61-I78 HydrophobicContact CZ-CD1 3.95Å; F61-I78 HydrophobicContact CZ-CG1 4.35Å; F61-F81 HydrophobicContact CE1-CE2 4.15Å; F61-F81 HydrophobicContact CZ-CE2 4.12Å; F61-F93 HydrophobicContact CD1-CE2 4.16Å; F61-F93 AromaticContact CE1-CE2 3.68Å; F61-F93 HydrophobicContact CE1-CE2 3.68Å; F61-F93 HydrophobicContact CE1-CZ 4.13Å
62D97.5Very high96.6Very high10 Ų1048.8 Ų48.85%0.05328%0.275CS..  trans-68.187.5173.4176.611.1000110.1I58 G65 N66 G67 V69 R102I58-D62 PolarHBondContact O-N 3.19Å; D62-G65 VanDerWaalsContact OD1-CA 3.23Å; D62-G65 WeakPolarHBondContact OD1-CA 3.37Å; D62-G65 PolarHBondContact OD1-N 2.76Å; D62-G65 VanDerWaalsContact OD2-C 3.31Å; D62-G65 VanDerWaalsContact OD2-CA 3.3Å; D62-G65 WeakPolarHBondContact OD2-CA 3.47Å; D62-N66 PolarHBondContact OD1-N 2.81Å; D62-N66 VanDerWaalsContact OD1-N 3.14Å; D62-N66 PolarHBondContact OD2-N 3.04Å; D62-G67 WeakPolarHBondContact OD2-CA 3.44Å; D62-G67 PolarHBondContact OD2-N 3.39Å; D62-V69 HydrophobicContact CB-CG2 4.35Å; D62-R102 PolarHBondContact O-NH2 3.12Å
63T96.1Very high96.7Very high76 Ų7645.8 Ų45.847%0.46626%0.255SS..SBendtrans-80.8-25.9-174.258.60000112.9F61 E73F61-T63 WeakPolarHBondContact O-CG2 3.44Å; F61-T63 PolarHBondContact O-N 3.19Å; T63-E73 WeakPolarHBondContact CA-OE1 3.46Å; T63-E73 PolarHBondContact N-OE1 3.48Å; T63-E73 PolarHBondContact OG1-OE1 3.28Å
64D96.4Very high96.7Very high100 Ų10044.7 Ų44.754%0.53525%0.249SC..SBendtrans-91.1-13.2177.27711000113.8N66 E73D64-N66 WeakPolarHBondContact OD1-CB 3.46Å; D64-N66 PolarHBondContact OD1-N 2.95Å; D64-N66 PolarHBondContact OD1-ND2 3.27Å; D64-N66 PolarHBondContact OD2-ND2 3.22Å; D64-N66 VanDerWaalsContact OD2-ND2 3.1Å; D64-E73 PolarHBondContact N-OE1 3.44Å; D64-E73 VanDerWaalsContact N-OE1 3.13Å
65G95.3Very high96.5Very high51 Ų5145.2 Ų45.253%0.52625%0.251SS..  trans78.824.4174.600000113.5D62 G67D62-G65 VanDerWaalsContact OD1-CA 3.23Å; D62-G65 WeakPolarHBondContact OD1-CA 3.37Å; D62-G65 PolarHBondContact OD1-N 2.76Å; D62-G65 VanDerWaalsContact OD2-C 3.31Å; D62-G65 VanDerWaalsContact OD2-CA 3.3Å; D62-G65 WeakPolarHBondContact OD2-CA 3.47Å; G65-G67 VanDerWaalsContact C-N 3.3Å
66N96.4Very high96.3Very high88 Ų8845.4 Ų45.447%0.47125%0.252SS..SBendtrans-81-7.9-177.973.932.8000113.7D62 D64 E68D62-N66 PolarHBondContact OD1-N 2.81Å; D62-N66 VanDerWaalsContact OD1-N 3.14Å; D62-N66 PolarHBondContact OD2-N 3.04Å; D64-N66 WeakPolarHBondContact OD1-CB 3.46Å; D64-N66 PolarHBondContact OD1-N 2.95Å; D64-N66 PolarHBondContact OD1-ND2 3.27Å; D64-N66 PolarHBondContact OD2-ND2 3.22Å; D64-N66 VanDerWaalsContact OD2-ND2 3.1Å; N66-E68 WeakPolarHBondContact OD1-CA 3.34Å; N66-E68 PolarHBondContact OD1-N 2.89Å; N66-E68 PolarHBondContact OD1-O 3.45Å; N66-E68 VanDerWaalsContact OD1-O 3.08Å
67G95.6Very high96.1Very high44 Ų4444.9 Ų44.945%0.45425%0.251SS..SBendtrans94.7-3.4179.400000114.8D62 G65D62-G67 WeakPolarHBondContact OD2-CA 3.44Å; D62-G67 PolarHBondContact OD2-N 3.39Å; G65-G67 VanDerWaalsContact C-N 3.3Å
68E97.7Very high95.8Very high79 Ų7944.6 Ų44.637%0.36925%0.247SC..SBendtrans-129.8160.6179.1-57.8-179.1157.600110A36 L37 N66A36-E68 HydrophobicContact CB-CB 3.76Å; A36-E68 WeakPolarHBondContact CB-OE2 3.34Å; L37-E68 WeakPolarHBondContact O-CA 3.41Å; N66-E68 WeakPolarHBondContact OD1-CA 3.34Å; N66-E68 PolarHBondContact OD1-N 2.89Å; N66-E68 PolarHBondContact OD1-O 3.45Å; N66-E68 VanDerWaalsContact OD1-O 3.08Å
69V98.3Very high95.4Very high0 Ų045 Ų450%025%0.251CS..EExtended strand (participates in β ladder)trans-109.1108.6178.2179.10000109.7A36 L37 F42 I58 F61 D62 E73 F74A36-V69 CarbonylContact C-O 3.47Å; L37-V69 HydrophobicContact CB-CB 4.39Å; L37-V69 PolarHBondContact N-O 3.03Å; L37-V69 PolarHBondContact O-N 3.37Å; F42-V69 HydrophobicContact CE2-CB 4Å; F42-V69 HydrophobicContact CE2-CG2 3.86Å; F42-V69 HydrophobicContact CZ-CB 4.22Å; F42-V69 HydrophobicContact CZ-CG1 4.49Å; F42-V69 HydrophobicContact CZ-CG2 4.21Å; I58-V69 HydrophobicContact CG2-CG2 3.96Å; F61-V69 HydrophobicContact CB-CG1 3.87Å; F61-V69 HydrophobicContact CB-CG2 3.77Å; F61-V69 HydrophobicContact CD2-CG1 4.28Å; D62-V69 HydrophobicContact CB-CG2 4.35Å; V69-E73 HydrophobicContact CG1-CB 3.84Å; V69-F74 HydrophobicContact CG1-CB 3.94Å
70D98.2Very high95Very high50 Ų5044.6 Ų44.627%0.26725%0.247SC..EExtended strand (participates in β ladder)trans-71.6170.2176.984.326000112.3K72 E73 F74D70-K72 VanDerWaalsContact C-N 3.3Å; D70-K72 PolarHBondContact O-N 2.94Å; D70-K72 VanDerWaalsContact OD1-CA 3.29Å; D70-K72 WeakPolarHBondContact OD1-CA 2.98Å; D70-K72 VanDerWaalsContact OD1-CB 3.26Å; D70-K72 WeakPolarHBondContact OD1-CB 2.9Å; D70-K72 PolarHBondContact OD1-N 3.13Å; D70-E73 PolarHBondContact N-OE2 3.03Å; D70-E73 PolarHBondContact O-N 2.93Å; D70-E73 WeakPolarHBondContact OD1-CG 3.22Å; D70-E73 PolarHBondContact OD1-N 2.79Å; D70-F74 WeakPolarHBondContact O-CB 3.37Å; D70-F74 PolarHBondContact O-N 3.49Å
71F96.5Very high94.6Very high71 Ų7145.2 Ų45.231%0.31125%0.25SC..Hα-helixtrans-61.1-37-179.1-177.6-119.2000113.6A23 F26 I75A23-F71 VanDerWaalsContact CA-CE2 3.5Å; A23-F71 HydrophobicContact CB-CE2 3.99Å; A23-F71 HydrophobicContact CB-CZ 3.68Å; F26-F71 HydrophobicContact CB-CD2 3.77Å; F26-F71 HydrophobicContact CB-CE2 3.99Å; F26-F71 HydrophobicContact CD1-CB 4.42Å; F26-F71 HydrophobicContact CD1-CD2 4.04Å; F26-F71 HydrophobicContact CD2-CB 4.34Å; F26-F71 AromaticContact CD2-CD2 3.74Å; F26-F71 HydrophobicContact CD2-CD2 3.74Å; F26-F71 HydrophobicContact CE1-CB 4.2Å; F26-F71 HydrophobicContact CE2-CB 4.08Å; F26-F71 HydrophobicContact CE2-CD2 4.32Å; F26-F71 HydrophobicContact CG-CB 4.49Å; F26-F71 AromaticContact CG-CD2 3.56Å; F26-F71 HydrophobicContact CG-CD2 3.56Å; F26-F71 HydrophobicContact CG-CE2 4.3Å; F26-F71 HydrophobicContact CG-CG 4.46Å; F26-F71 HydrophobicContact CZ-CB 4.02Å; F71-I75 HydrophobicContact CD1-CG1 4.45Å; F71-I75 HydrophobicContact CD2-CG1 4.14Å; F71-I75 HydrophobicContact CE1-CG1 4.03Å; F71-I75 HydrophobicContact CE2-CD1 3.71Å; F71-I75 HydrophobicContact CE2-CG1 3.67Å; F71-I75 HydrophobicContact CZ-CD1 3.67Å; F71-I75 HydrophobicContact CZ-CG1 3.62Å; F71-I75 WeakPolarHBondContact O-CB 3.08Å; F71-I75 WeakPolarHBondContact O-CG1 3.34Å; F71-I75 PolarHBondContact O-N 3.35Å
72K95.8Very high94Very high135 Ų13545.8 Ų45.859%0.58726%0.255SS*.Hα-helixtrans-68-43.4179.1172.6-169.6167.5-158.50110.2D70 I75 Q76D70-K72 VanDerWaalsContact C-N 3.3Å; D70-K72 PolarHBondContact O-N 2.94Å; D70-K72 VanDerWaalsContact OD1-CA 3.29Å; D70-K72 WeakPolarHBondContact OD1-CA 2.98Å; D70-K72 VanDerWaalsContact OD1-CB 3.26Å; D70-K72 WeakPolarHBondContact OD1-CB 2.9Å; D70-K72 PolarHBondContact OD1-N 3.13Å; K72-I75 PolarHBondContact O-N 3.23Å; K72-Q76 WeakPolarHBondContact O-CB 3.44Å; K72-Q76 VanDerWaalsContact O-CG 3.27Å; K72-Q76 WeakPolarHBondContact O-CG 3.46Å; K72-Q76 PolarHBondContact O-N 2.71Å
73E96.9Very high93.2Very high3 Ų349.4 Ų49.41%0.01428%0.277CS..Hα-helixtrans-63.1-45.2176.1-73.1-178.9141.300112F61 T63 D64 V69 D70 I75 Q76 G77F61-E73 WeakPolarHBondContact O-CB 3.44Å; T63-E73 WeakPolarHBondContact CA-OE1 3.46Å; T63-E73 PolarHBondContact N-OE1 3.48Å; T63-E73 PolarHBondContact OG1-OE1 3.28Å; D64-E73 PolarHBondContact N-OE1 3.44Å; D64-E73 VanDerWaalsContact N-OE1 3.13Å; V69-E73 HydrophobicContact CG1-CB 3.84Å; D70-E73 PolarHBondContact N-OE2 3.03Å; D70-E73 PolarHBondContact O-N 2.93Å; D70-E73 WeakPolarHBondContact OD1-CG 3.22Å; D70-E73 PolarHBondContact OD1-N 2.79Å; E73-I75 VanDerWaalsContact C-N 3.33Å; E73-I75 PolarHBondContact O-N 3.33Å; E73-Q76 PolarHBondContact O-N 3.04Å; E73-G77 PolarHBondContact O-N 2.95Å
74F95.5Very high92.5Very high13 Ų1355.3 Ų55.36%0.05730%0.296CS..Hα-helixtrans-56.2-47.5173.4-178.8-100.3000111.6L22 F26 L37 F42 V69 D70 G77 I78L22-F74 HydrophobicContact CB-CE1 4.27Å; L22-F74 HydrophobicContact CD2-CE1 4.21Å; F26-F74 HydrophobicContact CB-CD1 4.35Å; F26-F74 HydrophobicContact CB-CE1 4.4Å; F26-F74 HydrophobicContact CD2-CB 3.82Å; F26-F74 AromaticContact CD2-CD1 3.91Å; F26-F74 HydrophobicContact CD2-CD1 3.91Å; F26-F74 HydrophobicContact CD2-CD2 4.32Å; F26-F74 AromaticContact CD2-CG 3.76Å; F26-F74 HydrophobicContact CD2-CG 3.76Å; F26-F74 HydrophobicContact CE2-CB 3.99Å; F26-F74 HydrophobicContact CE2-CG 4.37Å; L37-F74 HydrophobicContact CD1-CD2 3.89Å; L37-F74 HydrophobicContact CD1-CE2 4.16Å; F42-F74 HydrophobicContact CZ-CD2 4.44Å; V69-F74 HydrophobicContact CG1-CB 3.94Å; D70-F74 WeakPolarHBondContact O-CB 3.37Å; D70-F74 PolarHBondContact O-N 3.49Å; F74-G77 PolarHBondContact O-N 3.25Å; F74-I78 HydrophobicContact CD1-CG1 4.44Å; F74-I78 HydrophobicContact CD2-CG1 4.36Å; F74-I78 HydrophobicContact CE1-CG1 4.16Å; F74-I78 HydrophobicContact CE2-CD1 4.38Å; F74-I78 HydrophobicContact CE2-CG1 4.07Å; F74-I78 HydrophobicContact CZ-CD1 4.44Å; F74-I78 HydrophobicContact CZ-CG1 3.97Å; F74-I78 WeakPolarHBondContact O-CB 3.47Å; F74-I78 VanDerWaalsContact O-CG1 3.25Å; F74-I78 WeakPolarHBondContact O-CG1 3.5Å; F74-I78 PolarHBondContact O-N 2.91Å
75I93Very high91.7Very high21 Ų2151.1 Ų51.111%0.10828%0.277CS..Hα-helixtrans-63.6-46.1177.9-68.9-65.6000111.1I14 L22 F71 K72 E73 S79I14-I75 HydrophobicContact CD1-CG2 3.25Å; L22-I75 HydrophobicContact CB-CD1 3.34Å; L22-I75 HydrophobicContact CD1-CD1 3.49Å; L22-I75 VanDerWaalsContact CD1-CD1 3.49Å; L22-I75 HydrophobicContact CG-CD1 4.04Å; F71-I75 HydrophobicContact CD1-CG1 4.45Å; F71-I75 HydrophobicContact CD2-CG1 4.14Å; F71-I75 HydrophobicContact CE1-CG1 4.03Å; F71-I75 HydrophobicContact CE2-CD1 3.71Å; F71-I75 HydrophobicContact CE2-CG1 3.67Å; F71-I75 HydrophobicContact CZ-CD1 3.67Å; F71-I75 HydrophobicContact CZ-CG1 3.62Å; F71-I75 WeakPolarHBondContact O-CB 3.08Å; F71-I75 WeakPolarHBondContact O-CG1 3.34Å; F71-I75 PolarHBondContact O-N 3.35Å; K72-I75 PolarHBondContact O-N 3.23Å; E73-I75 VanDerWaalsContact C-N 3.33Å; E73-I75 PolarHBondContact O-N 3.33Å; I75-S79 WeakPolarHBondContact O-CB 3.47Å; I75-S79 PolarHBondContact O-N 2.98Å; I75-S79 PolarHBondContact O-OG 3.1Å
76Q91.2Very high91.4Very high86 Ų8651.5 Ų51.540%0.40228%0.275SS..Hα-helixtrans-62.1-44.2178.1-73.9-1800.200111.8K72 E73 S79K72-Q76 WeakPolarHBondContact O-CB 3.44Å; K72-Q76 VanDerWaalsContact O-CG 3.27Å; K72-Q76 WeakPolarHBondContact O-CG 3.46Å; K72-Q76 PolarHBondContact O-N 2.71Å; E73-Q76 PolarHBondContact O-N 3.04Å; Q76-S79 PolarHBondContact O-OG 3.49Å
77G92.7Very high91.1Very high2 Ų251.5 Ų51.52%0.02127%0.27CS..Hα-helixtrans-57.4-57.7175.400000112.3E73 F74 S79 Q80E73-G77 PolarHBondContact O-N 2.95Å; F74-G77 PolarHBondContact O-N 3.25Å; G77-S79 VanDerWaalsContact C-N 3.31Å; G77-S79 PolarHBondContact O-N 3.3Å; G77-Q80 WeakPolarHBondContact O-CB 3.48Å; G77-Q80 PolarHBondContact O-N 3.35Å
78I91.2Very high90.9Very high39 Ų3955.8 Ų55.820%0.228%0.279CS..Hα-helixtrans-63.8-36-177.5-63.2-65.2000112.1L22 F61 F74 Q80 F81L22-I78 HydrophobicContact CD1-CG2 4.18Å; L22-I78 HydrophobicContact CD2-CG2 3.87Å; F61-I78 HydrophobicContact CE2-CD1 3.86Å; F61-I78 HydrophobicContact CE2-CG1 4.1Å; F61-I78 HydrophobicContact CZ-CD1 3.95Å; F61-I78 HydrophobicContact CZ-CG1 4.35Å; F74-I78 HydrophobicContact CD1-CG1 4.44Å; F74-I78 HydrophobicContact CD2-CG1 4.36Å; F74-I78 HydrophobicContact CE1-CG1 4.16Å; F74-I78 HydrophobicContact CE2-CD1 4.38Å; F74-I78 HydrophobicContact CE2-CG1 4.07Å; F74-I78 HydrophobicContact CZ-CD1 4.44Å; F74-I78 HydrophobicContact CZ-CG1 3.97Å; F74-I78 WeakPolarHBondContact O-CB 3.47Å; F74-I78 VanDerWaalsContact O-CG1 3.25Å; F74-I78 WeakPolarHBondContact O-CG1 3.5Å; F74-I78 PolarHBondContact O-N 2.91Å; I78-Q80 PolarHBondContact O-N 3.33Å; I78-Q80 VanDerWaalsContact O-N 3.12Å; I78-F81 PolarHBondContact O-N 2.95Å
79S88.9Confident90.6Very high12 Ų1254 Ų548%0.08427%0.273CS..Hα-helixtrans-59.4-26.8-178.675.20000113.8I12 I75 Q76 G77 F81 S82I12-S79 VanDerWaalsContact CD1-O 3.24Å; I12-S79 WeakPolarHBondContact CD1-O 3.02Å; I75-S79 WeakPolarHBondContact O-CB 3.47Å; I75-S79 PolarHBondContact O-N 2.98Å; I75-S79 PolarHBondContact O-OG 3.1Å; Q76-S79 PolarHBondContact O-OG 3.49Å; G77-S79 VanDerWaalsContact C-N 3.31Å; G77-S79 PolarHBondContact O-N 3.3Å; S79-F81 PolarHBondContact O-N 3.11Å; S79-S82 VanDerWaalsContact O-CB 3.26Å; S79-S82 WeakPolarHBondContact O-CB 3.38Å; S79-S82 PolarHBondContact O-N 2.98Å; S79-S82 VanDerWaalsContact O-N 3.07Å
80Q89Confident90.3Very high34 Ų3454.3 Ų54.316%0.15927%0.274CS..THydrogen-bonded Turntrans-62.3-25.7178-66.6177.570.100112.8G77 I78 T89G77-Q80 WeakPolarHBondContact O-CB 3.48Å; G77-Q80 PolarHBondContact O-N 3.35Å; I78-Q80 PolarHBondContact O-N 3.33Å; I78-Q80 VanDerWaalsContact O-N 3.12Å; Q80-T89 HydrophobicContact CB-CG2 3.92Å; Q80-T89 HydrophobicContact CG-CG2 3.86Å
81F88.1Confident90.1Very high27 Ų2752.4 Ų52.412%0.11826%0.264CS..THydrogen-bonded Turntrans-93.58.2179.2-53.3-80.8000113.4F61 I78 S79 F93 M165 V166 V167F61-F81 HydrophobicContact CE1-CE2 4.15Å; F61-F81 HydrophobicContact CZ-CE2 4.12Å; I78-F81 PolarHBondContact O-N 2.95Å; S79-F81 PolarHBondContact O-N 3.11Å; F81-F93 AromaticContact CE1-CD1 3.89Å; F81-F93 HydrophobicContact CE1-CD1 3.89Å; F81-F93 HydrophobicContact CE1-CE1 4.11Å; F81-F93 HydrophobicContact CE1-CG 4.18Å; F81-F93 HydrophobicContact CE2-CD2 4.3Å; F81-F93 HydrophobicContact CE2-CE2 4.09Å; F81-F93 HydrophobicContact CE2-CZ 4.23Å; F81-F93 AromaticContact CZ-CD1 3.6Å; F81-F93 HydrophobicContact CZ-CD1 3.6Å; F81-F93 AromaticContact CZ-CD2 3.82Å; F81-F93 HydrophobicContact CZ-CD2 3.82Å; F81-F93 AromaticContact CZ-CE1 3.49Å; F81-F93 HydrophobicContact CZ-CE1 3.49Å; F81-F93 VanDerWaalsContact CZ-CE1 3.49Å; F81-F93 AromaticContact CZ-CE2 3.72Å; F81-F93 HydrophobicContact CZ-CE2 3.72Å; F81-F93 AromaticContact CZ-CG 3.77Å; F81-F93 HydrophobicContact CZ-CG 3.77Å; F81-F93 AromaticContact CZ-CZ 3.56Å; F81-F93 HydrophobicContact CZ-CZ 3.56Å; F81-M165 HydrophobicContact CD1-CB 4.03Å; F81-M165 HydrophobicContact CD1-CE 4.43Å; F81-M165 WeakPolarHBondContact CD1-O 3.37Å; F81-M165 HydrophobicContact CE1-CB 4.31Å; F81-M165 HydrophobicContact CE1-CE 3.68Å; F81-V166 WeakPolarHBondContact O-CA 3.09Å; F81-V167 HydrophobicContact CB-CB 4.18Å; F81-V167 HydrophobicContact CB-CG2 3.73Å; F81-V167 HydrophobicContact CG-CG2 4.37Å; F81-V167 PolarHBondContact O-N 2.94Å
82S84.9Confident90.1Very high21 Ų2154.5 Ų54.515%0.14727%0.273CS..  trans-55.6144.6174.6-178.10000110.9S79 K84 G85 K90S79-S82 VanDerWaalsContact O-CB 3.26Å; S79-S82 WeakPolarHBondContact O-CB 3.38Å; S79-S82 PolarHBondContact O-N 2.98Å; S79-S82 VanDerWaalsContact O-N 3.07Å; S82-K84 PolarHBondContact O-N 3.3Å; S82-K84 PolarHBondContact OG-N 3.17Å; S82-G85 WeakPolarHBondContact O-CA 3.48Å; S82-G85 PolarHBondContact O-N 3.37Å; S82-K90 PolarHBondContact O-NZ 3.05Å
83V80.5Confident90Very high85 Ų8548.5 Ų48.552%0.51525%0.247SC..THydrogen-bonded Turntrans-52.3-36170.5-176.80000110.8G85 V166V83-G85 VanDerWaalsContact C-N 3.31Å; V83-G85 PolarHBondContact O-N 2.86Å; V83-V166 HydrophobicContact CB-CG1 4.13Å; V83-V166 HydrophobicContact CG2-CG1 3.54Å
84K79.9Confident90Very high200 Ų20049.1 Ų49.187%0.8725%0.253SS*.THydrogen-bonded Turntrans-81.9-5.2178.2-62-179.3-177.7174.80113.9S82S82-K84 PolarHBondContact O-N 3.3Å; S82-K84 PolarHBondContact OG-N 3.17Å
85G80.1Confident90Very high13 Ų1348.8 Ų48.813%0.13425%0.251CS..SBendtrans-70.2137.2-177.300000112.2S82 V83 K90S82-G85 WeakPolarHBondContact O-CA 3.48Å; S82-G85 PolarHBondContact O-N 3.37Å; V83-G85 VanDerWaalsContact C-N 3.31Å; V83-G85 PolarHBondContact O-N 2.86Å; G85-K90 PolarHBondContact O-NZ 2.97Å
86A88.8Confident90.3Very high58 Ų5851.3 Ų51.348%0.47926%0.261SS..  trans-62.7146.9-179.600000112.2Q88 T89 K90A86-Q88 PolarHBondContact O-N 3.07Å; A86-T89 WeakPolarHBondContact O-CB 3.48Å; A86-T89 PolarHBondContact O-N 3.09Å; A86-T89 VanDerWaalsContact O-N 3.09Å; A86-K90 PolarHBondContact O-N 2.86Å
87K90.3Very high90.6Very high88 Ų8848 Ų4838%0.38325%0.246SC..Hα-helixtrans-49.2-46.7172.8172.7172.4-179.31730111.8T89 K90 L91 G157 H162K87-T89 VanDerWaalsContact C-N 3.32Å; K87-T89 PolarHBondContact O-N 3.39Å; K87-K90 PolarHBondContact O-N 3.45Å; K87-K90 VanDerWaalsContact O-N 3.14Å; K87-L91 HydrophobicContact CG-CD1 3.96Å; K87-L91 HydrophobicContact CG-CG 4.25Å; K87-L91 WeakPolarHBondContact O-CG 3.28Å; K87-L91 PolarHBondContact O-N 3.08Å; K87-G157 WeakPolarHBondContact CE-O 3.41Å; K87-G157 PolarHBondContact NZ-O 3.47Å; K87-H162 HydrophobicContact CG-CB 4.07Å
88Q91.6Very high90.8Very high135 Ų13550.4 Ų50.463%0.63126%0.255SS*.Hα-helixtrans-61.7-36.7-178.6-166.9-179.741.500112.9A86 K90 L91 K92 F149A86-Q88 PolarHBondContact O-N 3.07Å; Q88-K90 VanDerWaalsContact C-N 3.32Å; Q88-K90 PolarHBondContact O-N 2.94Å; Q88-L91 PolarHBondContact O-N 3.19Å; Q88-K92 VanDerWaalsContact O-CB 3.28Å; Q88-K92 WeakPolarHBondContact O-CB 3.37Å; Q88-K92 PolarHBondContact O-N 3.19Å; Q88-F149 HydrophobicContact CG-CE1 4.13Å; Q88-F149 HydrophobicContact CG-CZ 4.13Å
89T92Very high91.2Very high40 Ų4049.1 Ų49.125%0.24525%0.248CC..Hα-helixtrans-61-43.5175.4-56.90000111Q80 A86 K87 K92 F93Q80-T89 HydrophobicContact CB-CG2 3.92Å; Q80-T89 HydrophobicContact CG-CG2 3.86Å; A86-T89 WeakPolarHBondContact O-CB 3.48Å; A86-T89 PolarHBondContact O-N 3.09Å; A86-T89 VanDerWaalsContact O-N 3.09Å; K87-T89 VanDerWaalsContact C-N 3.32Å; K87-T89 PolarHBondContact O-N 3.39Å; T89-K92 PolarHBondContact O-N 3.13Å; T89-F93 PolarHBondContact O-N 2.79Å
90K92.2Very high91.6Very high7 Ų751 Ų513%0.0326%0.256CS..Hα-helixtrans-70-42179.4-60.2-175.8173.6106.80112S82 G85 A86 K87 Q88 K92 F93 A94 H162 M165S82-K90 PolarHBondContact O-NZ 3.05Å; G85-K90 PolarHBondContact O-NZ 2.97Å; A86-K90 PolarHBondContact O-N 2.86Å; K87-K90 PolarHBondContact O-N 3.45Å; K87-K90 VanDerWaalsContact O-N 3.14Å; Q88-K90 VanDerWaalsContact C-N 3.32Å; Q88-K90 PolarHBondContact O-N 2.94Å; K90-K92 VanDerWaalsContact C-N 3.3Å; K90-K92 PolarHBondContact O-N 2.92Å; K90-F93 WeakPolarHBondContact O-CB 3.23Å; K90-F93 PolarHBondContact O-N 3.21Å; K90-A94 PolarHBondContact O-N 3.44Å; K90-H162 HydrophobicContact CB-CB 3.98Å; K90-H162 HydrophobicContact CD-CB 4.14Å; K90-H162 WeakPolarHBondContact CD-O 3.18Å; K90-M165 HydrophobicContact CB-CB 4.37Å; K90-M165 HydrophobicContact CB-SD 4.29Å; K90-M165 HydrophobicContact CD-CB 4.13Å; K90-M165 VanDerWaalsContact CE-O 3.22Å; K90-M165 WeakPolarHBondContact CE-O 3.38Å; K90-M165 WeakPolarHBondContact O-CE 3.08Å
91L94.1Very high92Very high10 Ų1054.3 Ų54.35%0.05228%0.276CS..Hα-helixtrans-62.1-39.5173.6-67.6-178.9000111.7K87 Q88 F93 A94 F95 F149 V156K87-L91 HydrophobicContact CG-CD1 3.96Å; K87-L91 HydrophobicContact CG-CG 4.25Å; K87-L91 WeakPolarHBondContact O-CG 3.28Å; K87-L91 PolarHBondContact O-N 3.08Å; Q88-L91 PolarHBondContact O-N 3.19Å; L91-F93 VanDerWaalsContact C-N 3.34Å; L91-A94 PolarHBondContact O-N 3.3Å; L91-F95 WeakPolarHBondContact O-CB 3.41Å; L91-F95 PolarHBondContact O-N 3.41Å; L91-F149 HydrophobicContact CB-CE2 4.3Å; L91-F149 HydrophobicContact CB-CZ 4.31Å; L91-V156 HydrophobicContact CD2-CG2 3.85Å
92K95.1Very high92.4Very high116 Ų11659.5 Ų59.550%0.50429%0.294SS..Hα-helixtrans-66.1-37.2175.6-168.9167.3-1711710112.1Q88 T89 K90 F95 K96 F149Q88-K92 VanDerWaalsContact O-CB 3.28Å; Q88-K92 WeakPolarHBondContact O-CB 3.37Å; Q88-K92 PolarHBondContact O-N 3.19Å; T89-K92 PolarHBondContact O-N 3.13Å; K90-K92 VanDerWaalsContact C-N 3.3Å; K90-K92 PolarHBondContact O-N 2.92Å; K92-F95 PolarHBondContact O-N 2.96Å; K92-K96 WeakPolarHBondContact O-CG 3.36Å; K92-K96 PolarHBondContact O-N 3.01Å; K92-K96 VanDerWaalsContact O-N 3.08Å; K92-F149 HydrophobicContact CB-CE2 3.98Å; K92-F149 HydrophobicContact CB-CZ 3.96Å; K92-F149 HydrophobicContact CG-CE2 4.43Å
93F95Very high93Very high9 Ų962.1 Ų62.14%0.03931%0.307CS..Hα-helixtrans-61.4-48.1171.3-174.2-81.3000111.2V57 I60 F61 F81 T89 K90 L91 F95 K96 I97 M165V57-F93 HydrophobicContact CG1-CZ 4.19Å; V57-F93 HydrophobicContact CG2-CE1 4.43Å; V57-F93 HydrophobicContact CG2-CZ 4.22Å; I60-F93 HydrophobicContact CB-CE2 4.08Å; I60-F93 HydrophobicContact CB-CZ 4.42Å; I60-F93 HydrophobicContact CD1-CE1 4.28Å; I60-F93 HydrophobicContact CD1-CE2 4.16Å; I60-F93 HydrophobicContact CD1-CZ 3.92Å; I60-F93 HydrophobicContact CG2-CD2 3.84Å; I60-F93 HydrophobicContact CG2-CE2 3.44Å; I60-F93 VanDerWaalsContact CG2-CE2 3.44Å; I60-F93 HydrophobicContact CG2-CZ 4.22Å; F61-F93 HydrophobicContact CD1-CE2 4.16Å; F61-F93 AromaticContact CE1-CE2 3.68Å; F61-F93 HydrophobicContact CE1-CE2 3.68Å; F61-F93 HydrophobicContact CE1-CZ 4.13Å; F81-F93 AromaticContact CE1-CD1 3.89Å; F81-F93 HydrophobicContact CE1-CD1 3.89Å; F81-F93 HydrophobicContact CE1-CE1 4.11Å; F81-F93 HydrophobicContact CE1-CG 4.18Å; F81-F93 HydrophobicContact CE2-CD2 4.3Å; F81-F93 HydrophobicContact CE2-CE2 4.09Å; F81-F93 HydrophobicContact CE2-CZ 4.23Å; F81-F93 AromaticContact CZ-CD1 3.6Å; F81-F93 HydrophobicContact CZ-CD1 3.6Å; F81-F93 AromaticContact CZ-CD2 3.82Å; F81-F93 HydrophobicContact CZ-CD2 3.82Å; F81-F93 AromaticContact CZ-CE1 3.49Å; F81-F93 HydrophobicContact CZ-CE1 3.49Å; F81-F93 VanDerWaalsContact CZ-CE1 3.49Å; F81-F93 AromaticContact CZ-CE2 3.72Å; F81-F93 HydrophobicContact CZ-CE2 3.72Å; F81-F93 AromaticContact CZ-CG 3.77Å; F81-F93 HydrophobicContact CZ-CG 3.77Å; F81-F93 AromaticContact CZ-CZ 3.56Å; F81-F93 HydrophobicContact CZ-CZ 3.56Å; T89-F93 PolarHBondContact O-N 2.79Å; K90-F93 WeakPolarHBondContact O-CB 3.23Å; K90-F93 PolarHBondContact O-N 3.21Å; L91-F93 VanDerWaalsContact C-N 3.34Å; F93-F95 VanDerWaalsContact C-N 3.29Å; F93-F95 PolarHBondContact O-N 2.75Å; F93-K96 PolarHBondContact O-N 3.34Å; F93-I97 HydrophobicContact CE1-CD1 3.92Å; F93-I97 HydrophobicContact CE1-CG1 4.15Å; F93-I97 HydrophobicContact CZ-CD1 4.38Å; F93-I97 PolarHBondContact O-N 3.11Å; F93-M165 HydrophobicContact CB-CE 4.04Å; F93-M165 HydrophobicContact CD1-CE 3.52Å; F93-M165 HydrophobicContact CE1-CE 4.46Å; F93-M165 HydrophobicContact CG-CE 4.14Å
94A95.2Very high93.8Very high15 Ų1559.6 Ų59.612%0.12430%0.298CS..Hα-helixtrans-60.3-39.4178.100000112.2K90 L91 I97 Y98 F152 M165K90-A94 PolarHBondContact O-N 3.44Å; L91-A94 PolarHBondContact O-N 3.3Å; A94-I97 WeakPolarHBondContact O-CB 3.49Å; A94-I97 PolarHBondContact O-N 3.35Å; A94-Y98 WeakPolarHBondContact O-CD2 3.35Å; A94-F152 HydrophobicContact CB-CE1 4.38Å; A94-F152 HydrophobicContact CB-CZ 4.15Å; A94-M165 HydrophobicContact CB-CE 4.17Å; A94-M165 HydrophobicContact CB-SD 4.14Å
95F97.2Very high94.7Very high6 Ų653.9 Ų53.93%0.02627%0.271CS..Hα-helixtrans-59.9-46.2174.6-178-94.4000112.3L91 K92 F93 I97 Y98 D99 G104 I106 F149 F152L91-F95 WeakPolarHBondContact O-CB 3.41Å; L91-F95 PolarHBondContact O-N 3.41Å; K92-F95 PolarHBondContact O-N 2.96Å; F93-F95 VanDerWaalsContact C-N 3.29Å; F93-F95 PolarHBondContact O-N 2.75Å; F95-I97 PolarHBondContact O-N 3.42Å; F95-I97 VanDerWaalsContact O-N 3.13Å; F95-Y98 WeakPolarHBondContact O-CA 3.45Å; F95-Y98 WeakPolarHBondContact O-CB 3.37Å; F95-Y98 PolarHBondContact O-N 3.05Å; F95-D99 HydrophobicContact CD1-CB 3.97Å; F95-D99 HydrophobicContact CE1-CB 3.65Å; F95-D99 HydrophobicContact CZ-CB 4.39Å; F95-D99 PolarHBondContact O-N 3.07Å; F95-G104 VanDerWaalsContact CZ-O 3.28Å; F95-G104 WeakPolarHBondContact CZ-O 3.34Å; F95-I106 HydrophobicContact CD2-CD1 3.56Å; F95-I106 HydrophobicContact CD2-CG1 4.01Å; F95-I106 HydrophobicContact CE2-CD1 3.48Å; F95-I106 VanDerWaalsContact CE2-CD1 3.48Å; F95-I106 HydrophobicContact CE2-CG1 3.54Å; F95-I106 HydrophobicContact CG-CD1 4.42Å; F95-I106 HydrophobicContact CZ-CD1 4.27Å; F95-I106 HydrophobicContact CZ-CG1 3.83Å; F95-F149 HydrophobicContact CB-CD2 3.82Å; F95-F149 HydrophobicContact CB-CE2 4.1Å; F95-F149 HydrophobicContact CD1-CD2 4.25Å; F95-F149 HydrophobicContact CD2-CB 4.42Å; F95-F149 AromaticContact CD2-CD2 3.92Å; F95-F149 HydrophobicContact CD2-CD2 3.92Å; F95-F149 HydrophobicContact CE1-CB 4.48Å; F95-F149 HydrophobicContact CE2-CB 4.23Å; F95-F149 AromaticContact CG-CD2 3.73Å; F95-F149 HydrophobicContact CG-CD2 3.73Å; F95-F149 HydrophobicContact CG-CE2 4.49Å; F95-F149 HydrophobicContact CZ-CB 4.25Å; F95-F152 HydrophobicContact CB-CD1 4.1Å; F95-F152 HydrophobicContact CB-CE1 4.06Å; F95-F152 HydrophobicContact CD2-CB 3.64Å; F95-F152 AromaticContact CD2-CD1 3.92Å; F95-F152 HydrophobicContact CD2-CD1 3.92Å; F95-F152 HydrophobicContact CD2-CD2 4.02Å; F95-F152 AromaticContact CD2-CG 3.61Å; F95-F152 HydrophobicContact CD2-CG 3.61Å; F95-F152 HydrophobicContact CE2-CB 3.95Å; F95-F152 HydrophobicContact CE2-CG 4.36Å
96K97.8Very high95.6Very high74 Ų7453.4 Ų53.432%0.32227%0.266SS..Hα-helixtrans-62.8-17.9178.4-73.3179.1171-165.60114.8R56 I60 K92 F93 Y98R56-K96 PolarHBondContact NH2-O 3.08Å; I60-K96 HydrophobicContact CD1-CB 3.7Å; I60-K96 HydrophobicContact CG1-CB 3.87Å; I60-K96 HydrophobicContact CG2-CB 4.44Å; I60-K96 HydrophobicContact CG2-CD 3.95Å; K92-K96 WeakPolarHBondContact O-CG 3.36Å; K92-K96 PolarHBondContact O-N 3.01Å; K92-K96 VanDerWaalsContact O-N 3.08Å; F93-K96 PolarHBondContact O-N 3.34Å; K96-Y98 PolarHBondContact O-N 2.76Å
97I97.6Very high96Very high16 Ų1652.6 Ų52.68%0.08226%0.256CS..Hα-helixtrans-62.2-37.8171.9-65.7-72.2000109.7L53 R56 V57 I60 F93 A94 F95 V114L53-I97 HydrophobicContact CD1-CG2 4.4Å; L53-I97 HydrophobicContact CD2-CG2 4.19Å; R56-I97 HydrophobicContact CB-CD1 4Å; R56-I97 HydrophobicContact CB-CG2 4.26Å; R56-I97 PolarHBondContact NE-O 3.33Å; R56-I97 PolarHBondContact NH2-O 3.4Å; V57-I97 HydrophobicContact CG2-CD1 3.85Å; I60-I97 HydrophobicContact CD1-CD1 3.46Å; I60-I97 VanDerWaalsContact CD1-CD1 3.46Å; I60-I97 HydrophobicContact CD1-CG1 3.89Å; F93-I97 HydrophobicContact CE1-CD1 3.92Å; F93-I97 HydrophobicContact CE1-CG1 4.15Å; F93-I97 HydrophobicContact CZ-CD1 4.38Å; F93-I97 PolarHBondContact O-N 3.11Å; A94-I97 WeakPolarHBondContact O-CB 3.49Å; A94-I97 PolarHBondContact O-N 3.35Å; F95-I97 PolarHBondContact O-N 3.42Å; F95-I97 VanDerWaalsContact O-N 3.13Å; I97-V114 HydrophobicContact CG2-CG1 4.06Å; I97-V114 WeakPolarHBondContact O-CG2 3.48Å
98Y98.1Very high96.4Very high53 Ų5350.6 Ų50.621%0.20825%0.25CS..Hα-helixtrans-86.5-47.2178.9-63.7-86.7000113.1A94 F95 K96 M100 I106 E110 L111 V114 M118 F152A94-Y98 WeakPolarHBondContact O-CD2 3.35Å; F95-Y98 WeakPolarHBondContact O-CA 3.45Å; F95-Y98 WeakPolarHBondContact O-CB 3.37Å; F95-Y98 PolarHBondContact O-N 3.05Å; K96-Y98 PolarHBondContact O-N 2.76Å; Y98-M100 WeakPolarHBondContact O-CG 3.4Å; Y98-M100 PolarHBondContact O-N 3.21Å; Y98-I106 HydrophobicContact CD2-CD1 4.34Å; Y98-I106 HydrophobicContact CG-CD1 4.06Å; Y98-E110 WeakPolarHBondContact O-CB 3.49Å; Y98-L111 HydrophobicContact CD1-CD1 3.84Å; Y98-L111 HydrophobicContact CE1-CD1 3.8Å; Y98-V114 HydrophobicContact CD1-CB 3.76Å; Y98-V114 HydrophobicContact CD1-CG1 3.6Å; Y98-V114 HydrophobicContact CD1-CG2 4.33Å; Y98-V114 HydrophobicContact CE1-CB 4.02Å; Y98-V114 HydrophobicContact CE1-CG1 3.5Å; Y98-V114 VanDerWaalsContact CE1-CG1 3.5Å; Y98-V114 HydrophobicContact CG-CG1 4.32Å; Y98-M118 HydrophobicContact CE1-CE 4.48Å; Y98-F152 HydrophobicContact CD2-CE2 4.41Å; Y98-F152 HydrophobicContact CE2-CE2 4.45Å
99D98.4Very high96.8Very high12 Ų1246 Ų466%0.06424%0.239CC..  trans-67.293.8177.2172.115.1000110.2F95 R102 D103 G104 Y105F95-D99 HydrophobicContact CD1-CB 3.97Å; F95-D99 HydrophobicContact CE1-CB 3.65Å; F95-D99 HydrophobicContact CZ-CB 4.39Å; F95-D99 PolarHBondContact O-N 3.07Å; D99-R102 WeakPolarHBondContact OD1-CA 3.28Å; D99-R102 PolarHBondContact OD1-N 3.39Å; D99-D103 PolarHBondContact OD1-N 3.17Å; D99-D103 VanDerWaalsContact OD1-N 3.13Å; D99-G104 WeakPolarHBondContact OD2-CA 3.26Å; D99-G104 PolarHBondContact OD2-N 3.03Å; D99-Y105 WeakPolarHBondContact CB-O 3.28Å
100M97.5Very high97.1Very high51 Ų5144.7 Ų44.725%0.25123%0.23SC..SBendtrans-86.4-38.6-170.2-54.8-167.941.600112.7R56 Y98 R102 E110 E113 V114 M117R56-M100 VanDerWaalsContact NH2-CA 3.3Å; Y98-M100 WeakPolarHBondContact O-CG 3.4Å; Y98-M100 PolarHBondContact O-N 3.21Å; M100-R102 VanDerWaalsContact C-N 3.3Å; M100-E110 WeakPolarHBondContact CA-OE1 3.35Å; M100-E110 HydrophobicContact CB-CG 4.07Å; M100-E110 HydrophobicContact CG-CB 4.31Å; M100-E110 HydrophobicContact CG-CG 4Å; M100-E110 PolarHBondContact N-OE1 3.3Å; M100-E113 VanDerWaalsContact CE-OE2 3.31Å; M100-E113 WeakPolarHBondContact CE-OE2 3.48Å; M100-E113 HydrophobicContact SD-CB 4.03Å; M100-V114 HydrophobicContact CG-CG2 4.45Å; M100-V114 HydrophobicContact SD-CG2 4.02Å; M100-M117 HydrophobicContact CE-CE 4.44Å
101D97.1Very high97.4Very high105 Ų10544.9 Ų44.956%0.56123%0.231SC*.SBendtrans-84.9-6.2177.572.98.7000113.5D103 E110D101-D103 VanDerWaalsContact C-N 3.3Å; D101-D103 WeakPolarHBondContact OD1-CB 3.49Å; D101-D103 PolarHBondContact OD1-N 2.78Å; D101-E110 PolarHBondContact N-OE1 3.09Å; D101-E110 VanDerWaalsContact N-OE1 3.07Å
102R96.5Very high97.6Very high136 Ų13646.2 Ų46.251%0.51324%0.237SC..  trans6826.4177.1-48.1175.1179.3179.40.4112.5D59 D62 D99 M100 G104D59-R102 PolarHBondContact O-NH2 3.03Å; D62-R102 PolarHBondContact O-NH2 3.12Å; D99-R102 WeakPolarHBondContact OD1-CA 3.28Å; D99-R102 PolarHBondContact OD1-N 3.39Å; M100-R102 VanDerWaalsContact C-N 3.3Å; R102-G104 PolarHBondContact O-N 3.39Å
103D97.7Very high97.7Very high75 Ų7545.4 Ų45.440%0.40123%0.234SC..SBendtrans-76.7-9176.988.5-16.2000113.3D99 D101 Y105 K146D99-D103 PolarHBondContact OD1-N 3.17Å; D99-D103 VanDerWaalsContact OD1-N 3.13Å; D101-D103 VanDerWaalsContact C-N 3.3Å; D101-D103 WeakPolarHBondContact OD1-CB 3.49Å; D101-D103 PolarHBondContact OD1-N 2.78Å; D103-Y105 WeakPolarHBondContact O-CD2 3.33Å; D103-Y105 WeakPolarHBondContact OD1-CA 3.04Å; D103-Y105 WeakPolarHBondContact OD1-CB 3.35Å; D103-Y105 WeakPolarHBondContact OD1-CD2 3.43Å; D103-Y105 PolarHBondContact OD1-N 2.97Å; D103-K146 IonicContact OD2-NZ 3.63Å
104G97.9Very high97.9Very high32 Ų3245 Ų4533%0.3323%0.233SC..SBendtrans91.110.5179.300000114.4F95 D99 R102F95-G104 VanDerWaalsContact CZ-O 3.28Å; F95-G104 WeakPolarHBondContact CZ-O 3.34Å; D99-G104 WeakPolarHBondContact OD2-CA 3.26Å; D99-G104 PolarHBondContact OD2-N 3.03Å; R102-G104 PolarHBondContact O-N 3.39Å
105Y98.5Very high98Very high80 Ų8045.8 Ų45.831%0.31424%0.235SC..EExtended strand (participates in β ladder)trans-127.8163.2176.7-58.7-93.6000110.5D99 D103 K146 I147D99-Y105 WeakPolarHBondContact CB-O 3.28Å; D103-Y105 WeakPolarHBondContact O-CD2 3.33Å; D103-Y105 WeakPolarHBondContact OD1-CA 3.04Å; D103-Y105 WeakPolarHBondContact OD1-CB 3.35Å; D103-Y105 WeakPolarHBondContact OD1-CD2 3.43Å; D103-Y105 PolarHBondContact OD1-N 2.97Å; Y105-K146 HydrophobicContact CD1-CD 3.68Å; Y105-K146 HydrophobicContact CD1-CG 3.82Å; Y105-K146 HydrophobicContact CD2-CD 4.2Å; Y105-K146 HydrophobicContact CE1-CD 4.43Å; Y105-K146 VanDerWaalsContact CE2-NZ 3.28Å; Y105-K146 HydrophobicContact CG-CD 3.54Å; Y105-K146 VanDerWaalsContact CG-CE 3.42Å; Y105-K146 HydrophobicContact CG-CG 4.1Å; Y105-K146 VanDerWaalsContact CG-NZ 3.32Å; Y105-I147 CarbonylContact C-O 3.53Å; Y105-I147 WeakPolarHBondContact CA-O 3.23Å
106I98.5Very high98.1Very high4 Ų447.7 Ų47.72%0.02124%0.243CC..EExtended strand (participates in β ladder)trans-109.5104.8167-58.7166.2000106.5F95 Y98 L111 K146 I147 F152F95-I106 HydrophobicContact CD2-CD1 3.56Å; F95-I106 HydrophobicContact CD2-CG1 4.01Å; F95-I106 HydrophobicContact CE2-CD1 3.48Å; F95-I106 VanDerWaalsContact CE2-CD1 3.48Å; F95-I106 HydrophobicContact CE2-CG1 3.54Å; F95-I106 HydrophobicContact CG-CD1 4.42Å; F95-I106 HydrophobicContact CZ-CD1 4.27Å; F95-I106 HydrophobicContact CZ-CG1 3.83Å; Y98-I106 HydrophobicContact CD2-CD1 4.34Å; Y98-I106 HydrophobicContact CG-CD1 4.06Å; I106-L111 HydrophobicContact CG2-CB 3.85Å; I106-K146 WeakPolarHBondContact O-CA 3.33Å; I106-K146 WeakPolarHBondContact O-CB 3.18Å; I106-I147 HydrophobicContact CB-CB 4.24Å; I106-I147 PolarHBondContact N-O 2.87Å; I106-I147 PolarHBondContact O-N 3.46Å; I106-F152 HydrophobicContact CD1-CD2 3.88Å; I106-F152 HydrophobicContact CD1-CE2 4.35Å
107S98.6Very high98Very high40 Ų4047.7 Ų47.728%0.2825%0.245SC..  trans-71.3163.4173.169.20000111.8G109 E110 L111S107-G109 PolarHBondContact O-N 2.95Å; S107-E110 VanDerWaalsContact CB-OE2 3.28Å; S107-E110 WeakPolarHBondContact CB-OE2 3.47Å; S107-E110 PolarHBondContact N-OE2 3.34Å; S107-E110 PolarHBondContact O-N 3.09Å; S107-E110 WeakPolarHBondContact OG-CB 3.44Å; S107-E110 VanDerWaalsContact OG-CD 3.29Å; S107-E110 VanDerWaalsContact OG-CG 3.23Å; S107-E110 WeakPolarHBondContact OG-CG 3.19Å; S107-E110 PolarHBondContact OG-N 2.91Å; S107-E110 PolarHBondContact OG-OE2 2.95Å; S107-L111 PolarHBondContact O-N 3.18Å
108N98.3Very high98Very high47 Ų4750.6 Ų50.625%0.25126%0.259SS..Hα-helixtrans-54.3-43172.9-176.5-72.6000111.9F112 Q129 V132 D133 I136N108-F112 WeakPolarHBondContact O-CB 3.43Å; N108-F112 PolarHBondContact O-N 3.46Å; N108-Q129 PolarHBondContact OD1-NE2 2.77Å; N108-V132 HydrophobicContact CB-CG1 4.36Å; N108-V132 VanDerWaalsContact O-CG1 3.24Å; N108-V132 WeakPolarHBondContact O-CG1 3.28Å; N108-D133 PolarHBondContact ND2-OD1 3.36Å; N108-I136 HydrophobicContact CB-CG1 4.44Å
109G98.5Very high97.9Very high38 Ų3850 Ų5039%0.39226%0.261SS..Hα-helixtrans-64.5-46.9-18000000112.6S107 L111 F112 E113S107-G109 PolarHBondContact O-N 2.95Å; G109-L111 PolarHBondContact O-N 3.2Å; G109-F112 WeakPolarHBondContact O-CB 3.31Å; G109-F112 PolarHBondContact O-N 2.64Å; G109-F112 VanDerWaalsContact O-N 3.16Å; G109-E113 WeakPolarHBondContact O-CG 3.4Å; G109-E113 PolarHBondContact O-N 3.16Å
110E98.7Very high97.7Very high12 Ų1250.8 Ų50.86%0.05627%0.272CS..Hα-helixtrans-64.5-42.2179.3-72.7167.8131.900112.6Y98 M100 D101 S107 F112 E113 V114Y98-E110 WeakPolarHBondContact O-CB 3.49Å; M100-E110 WeakPolarHBondContact CA-OE1 3.35Å; M100-E110 HydrophobicContact CB-CG 4.07Å; M100-E110 HydrophobicContact CG-CB 4.31Å; M100-E110 HydrophobicContact CG-CG 4Å; M100-E110 PolarHBondContact N-OE1 3.3Å; D101-E110 PolarHBondContact N-OE1 3.09Å; D101-E110 VanDerWaalsContact N-OE1 3.07Å; S107-E110 VanDerWaalsContact CB-OE2 3.28Å; S107-E110 WeakPolarHBondContact CB-OE2 3.47Å; S107-E110 PolarHBondContact N-OE2 3.34Å; S107-E110 PolarHBondContact O-N 3.09Å; S107-E110 WeakPolarHBondContact OG-CB 3.44Å; S107-E110 VanDerWaalsContact OG-CD 3.29Å; S107-E110 VanDerWaalsContact OG-CG 3.23Å; S107-E110 WeakPolarHBondContact OG-CG 3.19Å; S107-E110 PolarHBondContact OG-N 2.91Å; S107-E110 PolarHBondContact OG-OE2 2.95Å; E110-F112 VanDerWaalsContact C-N 3.28Å; E110-F112 PolarHBondContact O-N 2.95Å; E110-E113 PolarHBondContact O-N 2.81Å; E110-V114 PolarHBondContact O-N 2.85Å
111L98.4Very high97.5Very high12 Ų1255.5 Ų55.56%0.06330%0.298CS..Hα-helixtrans-59.7-42.7173.7-177.258.6000110.8Y98 I106 S107 G109 L115 V132 T135 I136Y98-L111 HydrophobicContact CD1-CD1 3.84Å; Y98-L111 HydrophobicContact CE1-CD1 3.8Å; I106-L111 HydrophobicContact CG2-CB 3.85Å; S107-L111 PolarHBondContact O-N 3.18Å; G109-L111 PolarHBondContact O-N 3.2Å; L111-L115 HydrophobicContact CD1-CD1 3.89Å; L111-L115 HydrophobicContact CD1-CG 4.01Å; L111-L115 HydrophobicContact CG-CD1 3.96Å; L111-L115 HydrophobicContact CG-CG 4.44Å; L111-L115 VanDerWaalsContact O-CB 3.32Å; L111-L115 WeakPolarHBondContact O-CB 3.16Å; L111-L115 WeakPolarHBondContact O-CG 3.2Å; L111-L115 PolarHBondContact O-N 3.25Å; L111-L115 VanDerWaalsContact O-N 3.08Å; L111-V132 HydrophobicContact CB-CG1 4.23Å; L111-V132 HydrophobicContact CD2-CG1 4.14Å; L111-V132 HydrophobicContact CG-CG1 4.29Å; L111-V132 HydrophobicContact CG-CG2 4.32Å; L111-T135 HydrophobicContact CD2-CG2 3.83Å; L111-I136 HydrophobicContact CD2-CD1 4.05Å; L111-I136 HydrophobicContact CD2-CG1 4.26Å
112F98.6Very high97.5Very high38 Ų3857.4 Ų57.417%0.16731%0.308CS..Hα-helixtrans-60.1-49175.2178.5-83.4000111.8N108 G109 E110 L115 K116 N125 L128 Q129 V132N108-F112 WeakPolarHBondContact O-CB 3.43Å; N108-F112 PolarHBondContact O-N 3.46Å; G109-F112 WeakPolarHBondContact O-CB 3.31Å; G109-F112 PolarHBondContact O-N 2.64Å; G109-F112 VanDerWaalsContact O-N 3.16Å; E110-F112 VanDerWaalsContact C-N 3.28Å; E110-F112 PolarHBondContact O-N 2.95Å; F112-L115 PolarHBondContact O-N 2.94Å; F112-K116 HydrophobicContact CD1-CB 4.46Å; F112-K116 HydrophobicContact CE1-CB 4.2Å; F112-K116 HydrophobicContact CE1-CG 4.39Å; F112-K116 WeakPolarHBondContact O-CB 3.43Å; F112-K116 PolarHBondContact O-N 3.26Å; F112-N125 HydrophobicContact CE2-CB 4.45Å; F112-N125 HydrophobicContact CZ-CB 4.1Å; F112-L128 HydrophobicContact CD2-CB 4.43Å; F112-L128 HydrophobicContact CD2-CD2 3.95Å; F112-L128 HydrophobicContact CD2-CG 3.85Å; F112-L128 HydrophobicContact CE1-CD2 4.45Å; F112-L128 HydrophobicContact CE2-CB 3.97Å; F112-L128 HydrophobicContact CE2-CD2 3.7Å; F112-L128 HydrophobicContact CE2-CG 3.79Å; F112-L128 HydrophobicContact CG-CD2 4.43Å; F112-L128 HydrophobicContact CZ-CD2 3.96Å; F112-Q129 HydrophobicContact CE2-CB 4.44Å; F112-V132 HydrophobicContact CB-CG1 4.43Å; F112-V132 HydrophobicContact CB-CG2 3.92Å; F112-V132 HydrophobicContact CD2-CG2 4.22Å
113E98.4Very high97.5Very high98 Ų9853.2 Ų53.246%0.45830%0.296SS..Hα-helixtrans-60.6-50-176.5-74.2-171.4179.400111.7M100 G109 E110 L115 K116 M117M100-E113 VanDerWaalsContact CE-OE2 3.31Å; M100-E113 WeakPolarHBondContact CE-OE2 3.48Å; M100-E113 HydrophobicContact SD-CB 4.03Å; G109-E113 WeakPolarHBondContact O-CG 3.4Å; G109-E113 PolarHBondContact O-N 3.16Å; E110-E113 PolarHBondContact O-N 2.81Å; E113-L115 PolarHBondContact O-N 3.13Å; E113-K116 WeakPolarHBondContact O-CB 3.38Å; E113-K116 PolarHBondContact O-N 3.48Å; E113-K116 VanDerWaalsContact O-N 3.12Å; E113-M117 WeakPolarHBondContact O-CG 3.31Å; E113-M117 PolarHBondContact O-N 2.82Å
114V98.3Very high97.4Very high0 Ų056.8 Ų56.80%031%0.308CS..Hα-helixtrans-67.4-38.9-178.51740000111.8L53 I97 Y98 M100 E110 K116 M117 M118L53-V114 HydrophobicContact CD2-CG1 4.07Å; I97-V114 HydrophobicContact CG2-CG1 4.06Å; I97-V114 WeakPolarHBondContact O-CG2 3.48Å; Y98-V114 HydrophobicContact CD1-CB 3.76Å; Y98-V114 HydrophobicContact CD1-CG1 3.6Å; Y98-V114 HydrophobicContact CD1-CG2 4.33Å; Y98-V114 HydrophobicContact CE1-CB 4.02Å; Y98-V114 HydrophobicContact CE1-CG1 3.5Å; Y98-V114 VanDerWaalsContact CE1-CG1 3.5Å; Y98-V114 HydrophobicContact CG-CG1 4.32Å; M100-V114 HydrophobicContact CG-CG2 4.45Å; M100-V114 HydrophobicContact SD-CG2 4.02Å; E110-V114 PolarHBondContact O-N 2.85Å; V114-K116 VanDerWaalsContact C-N 3.33Å; V114-K116 PolarHBondContact O-N 3.26Å; V114-M117 PolarHBondContact O-N 2.62Å; V114-M118 HydrophobicContact CG1-CE 3.95Å; V114-M118 PolarHBondContact O-N 3.27Å
115L98Very high97.5Very high32 Ų3259.6 Ų59.617%0.16832%0.316CS..Hα-helixtrans-66.7-35.1172.5-66.9178.9000112L111 F112 E113 M117 M118 V119 L128 V132L111-L115 HydrophobicContact CD1-CD1 3.89Å; L111-L115 HydrophobicContact CD1-CG 4.01Å; L111-L115 HydrophobicContact CG-CD1 3.96Å; L111-L115 HydrophobicContact CG-CG 4.44Å; L111-L115 VanDerWaalsContact O-CB 3.32Å; L111-L115 WeakPolarHBondContact O-CB 3.16Å; L111-L115 WeakPolarHBondContact O-CG 3.2Å; L111-L115 PolarHBondContact O-N 3.25Å; L111-L115 VanDerWaalsContact O-N 3.08Å; F112-L115 PolarHBondContact O-N 2.94Å; E113-L115 PolarHBondContact O-N 3.13Å; L115-M117 VanDerWaalsContact C-N 3.34Å; L115-M118 HydrophobicContact CD2-CE 3.76Å; L115-M118 PolarHBondContact O-N 2.89Å; L115-V119 WeakPolarHBondContact O-CB 3.48Å; L115-V119 WeakPolarHBondContact O-CG2 3.44Å; L115-V119 PolarHBondContact O-N 3.38Å; L115-L128 HydrophobicContact CB-CD1 3.76Å; L115-L128 HydrophobicContact CD1-CD1 4.23Å; L115-V132 HydrophobicContact CD1-CG2 4.02Å
116K98.1Very high97.4Very high47 Ų4760.3 Ų60.320%0.20433%0.329CS..Hα-helixtrans-65-39176.7-177.460.1-179.5177.70111.4F112 E113 V114 M118 G120 N121 N125 L128F112-K116 HydrophobicContact CD1-CB 4.46Å; F112-K116 HydrophobicContact CE1-CB 4.2Å; F112-K116 HydrophobicContact CE1-CG 4.39Å; F112-K116 WeakPolarHBondContact O-CB 3.43Å; F112-K116 PolarHBondContact O-N 3.26Å; E113-K116 WeakPolarHBondContact O-CB 3.38Å; E113-K116 PolarHBondContact O-N 3.48Å; E113-K116 VanDerWaalsContact O-N 3.12Å; V114-K116 VanDerWaalsContact C-N 3.33Å; V114-K116 PolarHBondContact O-N 3.26Å; K116-M118 VanDerWaalsContact C-N 3.32Å; K116-M118 PolarHBondContact O-N 3.37Å; K116-G120 WeakPolarHBondContact CE-O 3.21Å; K116-G120 PolarHBondContact NZ-O 2.81Å; K116-G120 WeakPolarHBondContact O-CA 3.24Å; K116-G120 PolarHBondContact O-N 2.8Å; K116-N121 PolarHBondContact NZ-OD1 3.01Å; K116-N125 PolarHBondContact NZ-OD1 3.2Å; K116-L128 HydrophobicContact CB-CD2 3.65Å; K116-L128 HydrophobicContact CD-CD2 3.86Å; K116-L128 HydrophobicContact CG-CD2 4.32Å
117M97.3Very high97.4Very high73 Ų7364.2 Ų64.236%0.3635%0.346SS..Hα-helixtrans-58.3-44.1173.4-66.5173-171.300111.4P52 R56 M100 E113 V114 L115P52-M117 HydrophobicContact CB-CB 4.25Å; P52-M117 VanDerWaalsContact CB-O 3.25Å; P52-M117 WeakPolarHBondContact CB-O 3.49Å; R56-M117 HydrophobicContact CG-SD 4.06Å; M100-M117 HydrophobicContact CE-CE 4.44Å; E113-M117 WeakPolarHBondContact O-CG 3.31Å; E113-M117 PolarHBondContact O-N 2.82Å; V114-M117 PolarHBondContact O-N 2.62Å; L115-M117 VanDerWaalsContact C-N 3.34Å
118M96.4Very high97.4Very high78 Ų7862.4 Ų62.438%0.38433%0.334SS..Hα-helixtrans-75.9-42.2-178.2-70.5-173.5-81.300114P52 L53 Y98 V114 L115 K116P52-M118 HydrophobicContact CG-CG 4.42Å; L53-M118 HydrophobicContact CD1-CG 4.34Å; L53-M118 HydrophobicContact CD1-SD 4.07Å; L53-M118 HydrophobicContact CD2-CG 4.03Å; L53-M118 HydrophobicContact CG-CG 4.26Å; Y98-M118 HydrophobicContact CE1-CE 4.48Å; V114-M118 HydrophobicContact CG1-CE 3.95Å; V114-M118 PolarHBondContact O-N 3.27Å; L115-M118 HydrophobicContact CD2-CE 3.76Å; L115-M118 PolarHBondContact O-N 2.89Å; K116-M118 VanDerWaalsContact C-N 3.32Å; K116-M118 PolarHBondContact O-N 3.37Å
119V95.8Very high97.4Very high39 Ų3963 Ų6324%0.23634%0.335CS..Hα-helixtrans-83.1-25.7-175.2176.40000111.7L115 N121 N122 L123L115-V119 WeakPolarHBondContact O-CB 3.48Å; L115-V119 WeakPolarHBondContact O-CG2 3.44Å; L115-V119 PolarHBondContact O-N 3.38Å; V119-N121 PolarHBondContact O-N 2.79Å; V119-N122 HydrophobicContact CG1-CB 3.91Å; V119-N122 WeakPolarHBondContact O-CB 3.21Å; V119-N122 PolarHBondContact O-N 3.04Å; V119-N122 PolarHBondContact O-ND2 2.91Å; V119-L123 HydrophobicContact CG1-CB 3.86Å; V119-L123 HydrophobicContact CG1-CD1 3.9Å; V119-L123 HydrophobicContact CG1-CG 3.66Å
120G93.8Very high97.4Very high30 Ų3066.9 Ų66.931%0.30934%0.343SS..THydrogen-bonded Turntrans58.3-126.8-175.300000111.5K116K116-G120 WeakPolarHBondContact CE-O 3.21Å; K116-G120 PolarHBondContact NZ-O 2.81Å; K116-G120 WeakPolarHBondContact O-CA 3.24Å; K116-G120 PolarHBondContact O-N 2.8Å
121N94.5Very high97.4Very high149 Ų14969.9 Ų69.980%0.79736%0.359SS*.THydrogen-bonded Turntrans-97.49.6-178.9-67.4-32.7000114K116 V119 L123K116-N121 PolarHBondContact NZ-OD1 3.01Å; V119-N121 PolarHBondContact O-N 2.79Å; N121-L123 PolarHBondContact O-N 2.99Å
122N96.5Very high97.4Very high145 Ų14569.3 Ų69.378%0.77536%0.356SS*.SBendtrans-67.7-20.6176.7-67.3-61.3000112.9V119V119-N122 HydrophobicContact CG1-CB 3.91Å; V119-N122 WeakPolarHBondContact O-CB 3.21Å; V119-N122 PolarHBondContact O-N 3.04Å; V119-N122 PolarHBondContact O-ND2 2.91Å
123L95.8Very high97.4Very high48 Ų4871 Ų7125%0.25137%0.367SS..SBendtrans-124.2143.2172.3-66.3-179.7000110.9V119 N121 Q127 I131V119-L123 HydrophobicContact CG1-CB 3.86Å; V119-L123 HydrophobicContact CG1-CD1 3.9Å; V119-L123 HydrophobicContact CG1-CG 3.66Å; N121-L123 PolarHBondContact O-N 2.99Å; L123-Q127 HydrophobicContact CB-CB 4.46Å; L123-Q127 HydrophobicContact CD2-CB 4.43Å; L123-I131 HydrophobicContact CD1-CD1 3.64Å
124K97.6Very high97.4Very high150 Ų15072.4 Ų72.465%0.65237%0.371SS*.  trans-66.4148.8166.4-63.3-179.7-177.8179.10109.3T126 Q127 L128K124-T126 PolarHBondContact O-N 2.86Å; K124-T126 VanDerWaalsContact O-N 3.11Å; K124-Q127 HydrophobicContact CB-CG 4.3Å; K124-Q127 VanDerWaalsContact N-OE1 3.09Å; K124-Q127 WeakPolarHBondContact O-CB 3.44Å; K124-Q127 PolarHBondContact O-N 3.02Å; K124-L128 PolarHBondContact O-N 2.73Å
125N98.1Very high97.3Very high92 Ų9274.5 Ų74.549%0.49238%0.384SS..Hα-helixtrans-54.9-35178.5-67.75.2000112.2F112 K116 L128 Q129F112-N125 HydrophobicContact CE2-CB 4.45Å; F112-N125 HydrophobicContact CZ-CB 4.1Å; K116-N125 PolarHBondContact NZ-OD1 3.2Å; N125-L128 PolarHBondContact O-N 2.99Å; N125-Q129 VanDerWaalsContact O-CB 3.3Å; N125-Q129 WeakPolarHBondContact O-CB 3.41Å; N125-Q129 PolarHBondContact O-N 3Å
126T98.1Very high97.3Very high95 Ų9573.5 Ų73.558%0.58338%0.378SS*.Hα-helixtrans-67.3-36.5176.152.50000113.6K124 Q130K124-T126 PolarHBondContact O-N 2.86Å; K124-T126 VanDerWaalsContact O-N 3.11Å; T126-Q130 VanDerWaalsContact O-CG 3.31Å; T126-Q130 WeakPolarHBondContact O-CG 3.5Å; T126-Q130 PolarHBondContact O-N 3.46Å; T126-Q130 VanDerWaalsContact O-N 3.12Å
127Q98.3Very high97.3Very high85 Ų8577.7 Ų77.740%0.39740%0.402SS..Hα-helixtrans-71.5-40.7176-65.4172.4-69.300110.6L123 K124 Q130 I131L123-Q127 HydrophobicContact CB-CB 4.46Å; L123-Q127 HydrophobicContact CD2-CB 4.43Å; K124-Q127 HydrophobicContact CB-CG 4.3Å; K124-Q127 VanDerWaalsContact N-OE1 3.09Å; K124-Q127 WeakPolarHBondContact O-CB 3.44Å; K124-Q127 PolarHBondContact O-N 3.02Å; Q127-Q130 PolarHBondContact O-N 3.05Å; Q127-I131 WeakPolarHBondContact O-CG1 3.32Å; Q127-I131 PolarHBondContact O-N 2.82Å
128L98.4Very high97.3Very high3 Ų381.4 Ų81.42%0.01642%0.417CS..Hα-helixtrans-63-45.7175.4-177.558.8000111.1F112 L115 K116 K124 N125 Q130 I131 V132F112-L128 HydrophobicContact CD2-CB 4.43Å; F112-L128 HydrophobicContact CD2-CD2 3.95Å; F112-L128 HydrophobicContact CD2-CG 3.85Å; F112-L128 HydrophobicContact CE1-CD2 4.45Å; F112-L128 HydrophobicContact CE2-CB 3.97Å; F112-L128 HydrophobicContact CE2-CD2 3.7Å; F112-L128 HydrophobicContact CE2-CG 3.79Å; F112-L128 HydrophobicContact CG-CD2 4.43Å; F112-L128 HydrophobicContact CZ-CD2 3.96Å; L115-L128 HydrophobicContact CB-CD1 3.76Å; L115-L128 HydrophobicContact CD1-CD1 4.23Å; K116-L128 HydrophobicContact CB-CD2 3.65Å; K116-L128 HydrophobicContact CD-CD2 3.86Å; K116-L128 HydrophobicContact CG-CD2 4.32Å; K124-L128 PolarHBondContact O-N 2.73Å; N125-L128 PolarHBondContact O-N 2.99Å; L128-Q130 VanDerWaalsContact C-N 3.31Å; L128-Q130 PolarHBondContact O-N 3.49Å; L128-I131 WeakPolarHBondContact O-CB 3.49Å; L128-I131 PolarHBondContact O-N 3.29Å; L128-V132 WeakPolarHBondContact O-CG2 3.25Å; L128-V132 PolarHBondContact O-N 3.14Å
129Q98.6Very high97.3Very high60 Ų6080.7 Ų80.728%0.2841%0.413SS..Hα-helixtrans-58.2-42.2176.2-169.763.153.300111.8N108 F112 N125 I131 V132 D133N108-Q129 PolarHBondContact OD1-NE2 2.77Å; F112-Q129 HydrophobicContact CE2-CB 4.44Å; N125-Q129 VanDerWaalsContact O-CB 3.3Å; N125-Q129 WeakPolarHBondContact O-CB 3.41Å; N125-Q129 PolarHBondContact O-N 3Å; Q129-I131 VanDerWaalsContact C-N 3.26Å; Q129-I131 PolarHBondContact O-N 3.4Å; Q129-V132 WeakPolarHBondContact O-CB 3.47Å; Q129-V132 PolarHBondContact O-N 3.23Å; Q129-D133 PolarHBondContact NE2-OD1 3.04Å; Q129-D133 WeakPolarHBondContact O-CB 3.42Å; Q129-D133 PolarHBondContact O-N 3.39Å
130Q98.4Very high97.3Very high118 Ų11880 Ų8055%0.55141%0.407SS*.Hα-helixtrans-62.1-31.9175.6-75.4175.1-5.700113.5T126 Q127 L128 K134T126-Q130 VanDerWaalsContact O-CG 3.31Å; T126-Q130 WeakPolarHBondContact O-CG 3.5Å; T126-Q130 PolarHBondContact O-N 3.46Å; T126-Q130 VanDerWaalsContact O-N 3.12Å; Q127-Q130 PolarHBondContact O-N 3.05Å; L128-Q130 VanDerWaalsContact C-N 3.31Å; L128-Q130 PolarHBondContact O-N 3.49Å; Q130-K134 WeakPolarHBondContact O-CB 3.27Å; Q130-K134 VanDerWaalsContact O-CG 3.24Å; Q130-K134 WeakPolarHBondContact O-CG 3.45Å; Q130-K134 PolarHBondContact O-N 3.4Å
131I98.1Very high97.5Very high76 Ų7685.4 Ų85.439%0.3942%0.423SS..Hα-helixtrans-71.4-45.5174.8-68.8162.2000109.6L123 Q127 L128 Q129 K134 T135L123-I131 HydrophobicContact CD1-CD1 3.64Å; Q127-I131 WeakPolarHBondContact O-CG1 3.32Å; Q127-I131 PolarHBondContact O-N 2.82Å; L128-I131 WeakPolarHBondContact O-CB 3.49Å; L128-I131 PolarHBondContact O-N 3.29Å; Q129-I131 VanDerWaalsContact C-N 3.26Å; Q129-I131 PolarHBondContact O-N 3.4Å; I131-K134 PolarHBondContact O-N 2.88Å; I131-T135 WeakPolarHBondContact O-CB 3.47Å; I131-T135 PolarHBondContact O-N 2.94Å; I131-T135 PolarHBondContact O-OG1 2.75Å
132V98.4Very high97.6Very high0 Ų083.7 Ų83.70%041%0.413CS..Hα-helixtrans-58.2-53.7177.5172.80000110.4N108 L111 F112 L115 L128 Q129 K134 T135 I136N108-V132 HydrophobicContact CB-CG1 4.36Å; N108-V132 VanDerWaalsContact O-CG1 3.24Å; N108-V132 WeakPolarHBondContact O-CG1 3.28Å; L111-V132 HydrophobicContact CB-CG1 4.23Å; L111-V132 HydrophobicContact CD2-CG1 4.14Å; L111-V132 HydrophobicContact CG-CG1 4.29Å; L111-V132 HydrophobicContact CG-CG2 4.32Å; F112-V132 HydrophobicContact CB-CG1 4.43Å; F112-V132 HydrophobicContact CB-CG2 3.92Å; F112-V132 HydrophobicContact CD2-CG2 4.22Å; L115-V132 HydrophobicContact CD1-CG2 4.02Å; L128-V132 WeakPolarHBondContact O-CG2 3.25Å; L128-V132 PolarHBondContact O-N 3.14Å; Q129-V132 WeakPolarHBondContact O-CB 3.47Å; Q129-V132 PolarHBondContact O-N 3.23Å; V132-K134 VanDerWaalsContact C-N 3.3Å; V132-K134 PolarHBondContact O-N 2.9Å; V132-T135 WeakPolarHBondContact O-CB 3.33Å; V132-T135 PolarHBondContact O-N 2.77Å; V132-I136 WeakPolarHBondContact O-CG1 3.48Å; V132-I136 PolarHBondContact O-N 3.34Å
133D98.4Very high97.6Very high74 Ų7479.7 Ų79.740%0.39641%0.406SS..Hα-helixtrans-58.1-42.7-178.6-64.8-18000111.9N108 Q129 L137N108-D133 PolarHBondContact ND2-OD1 3.36Å; Q129-D133 PolarHBondContact NE2-OD1 3.04Å; Q129-D133 WeakPolarHBondContact O-CB 3.42Å; Q129-D133 PolarHBondContact O-N 3.39Å; D133-L137 VanDerWaalsContact O-CB 3.24Å; D133-L137 WeakPolarHBondContact O-CB 3.37Å; D133-L137 PolarHBondContact O-N 3.14Å
134K98.1Very high97.7Very high127 Ų12780.7 Ų80.755%0.55241%0.412SS*.Hα-helixtrans-65.4-43.5175.4-75.5176.7-178179.40111.5Q130 I131 V132 L137 F138Q130-K134 WeakPolarHBondContact O-CB 3.27Å; Q130-K134 VanDerWaalsContact O-CG 3.24Å; Q130-K134 WeakPolarHBondContact O-CG 3.45Å; Q130-K134 PolarHBondContact O-N 3.4Å; I131-K134 PolarHBondContact O-N 2.88Å; V132-K134 VanDerWaalsContact C-N 3.3Å; V132-K134 PolarHBondContact O-N 2.9Å; K134-L137 PolarHBondContact O-N 2.85Å; K134-F138 HydrophobicContact CB-CD2 4.24Å; K134-F138 HydrophobicContact CB-CE2 4.23Å; K134-F138 WeakPolarHBondContact O-CB 3.16Å; K134-F138 WeakPolarHBondContact O-CD2 3.46Å; K134-F138 PolarHBondContact O-N 3.36Å
135T97.6Very high97.7Very high43 Ų4375.5 Ų75.526%0.26440%0.401SS..Hα-helixtrans-60.9-47.6-178.4-57.20000110.7L111 I131 V132 F138 H139L111-T135 HydrophobicContact CD2-CG2 3.83Å; I131-T135 WeakPolarHBondContact O-CB 3.47Å; I131-T135 PolarHBondContact O-N 2.94Å; I131-T135 PolarHBondContact O-OG1 2.75Å; V132-T135 WeakPolarHBondContact O-CB 3.33Å; V132-T135 PolarHBondContact O-N 2.77Å; T135-F138 PolarHBondContact O-N 3.14Å; T135-H139 WeakPolarHBondContact O-CB 3.33Å; T135-H139 PolarHBondContact O-CD2 2.93Å; T135-H139 VanDerWaalsContact O-CD2 3.3Å; T135-H139 PolarHBondContact O-N 3.05Å
136I97.9Very high97.7Very high11 Ų1173.4 Ų73.46%0.05639%0.387CS..Hα-helixtrans-59.7-54.3174.5-61.5-65.8000109.5N108 L111 V132 F138 H139 D140 I147N108-I136 HydrophobicContact CB-CG1 4.44Å; L111-I136 HydrophobicContact CD2-CD1 4.05Å; L111-I136 HydrophobicContact CD2-CG1 4.26Å; V132-I136 WeakPolarHBondContact O-CG1 3.48Å; V132-I136 PolarHBondContact O-N 3.34Å; I136-F138 PolarHBondContact O-N 2.82Å; I136-H139 PolarHBondContact O-N 2.84Å; I136-D140 HydrophobicContact CG2-CB 4.13Å; I136-D140 WeakPolarHBondContact O-CB 3.34Å; I136-D140 PolarHBondContact O-N 3.32Å; I136-I147 HydrophobicContact CD1-CD1 3.73Å; I136-I147 HydrophobicContact CD1-CG1 3.8Å
137L97.1Very high97.7Very high135 Ų13569.4 Ų69.471%0.70736%0.362SS*.Hα-helixtrans-54.9-33.2-178-179.265.4000114.3D133 K134D133-L137 VanDerWaalsContact O-CB 3.24Å; D133-L137 WeakPolarHBondContact O-CB 3.37Å; D133-L137 PolarHBondContact O-N 3.14Å; K134-L137 PolarHBondContact O-N 2.85Å
138F96.8Very high97.7Very high152 Ų15266.4 Ų66.467%0.66735%0.351SS*.Hα-helixtrans-85.3-21.1-179.1-79.4-63.6000114.3K134 T135 I136K134-F138 HydrophobicContact CB-CD2 4.24Å; K134-F138 HydrophobicContact CB-CE2 4.23Å; K134-F138 WeakPolarHBondContact O-CB 3.16Å; K134-F138 WeakPolarHBondContact O-CD2 3.46Å; K134-F138 PolarHBondContact O-N 3.36Å; T135-F138 PolarHBondContact O-N 3.14Å; I136-F138 PolarHBondContact O-N 2.82Å
139H96.4Very high97.7Very high63 Ų6368.4 Ų68.429%0.29236%0.359SS..Hα-helixtrans-121-17.4-169.3-63.6-47.3000114.5T135 I136 K141 I147 E151 V155T135-H139 WeakPolarHBondContact O-CB 3.33Å; T135-H139 PolarHBondContact O-CD2 2.93Å; T135-H139 VanDerWaalsContact O-CD2 3.3Å; T135-H139 PolarHBondContact O-N 3.05Å; I136-H139 PolarHBondContact O-N 2.84Å; H139-K141 PolarHBondContact O-N 3.14Å; H139-I147 HydrophobicContact CB-CD1 4.18Å; H139-I147 HydrophobicContact CB-CG1 4.49Å; H139-E151 WeakPolarHBondContact O-CB 3.46Å; H139-E151 WeakPolarHBondContact O-CG 3.44Å; H139-V155 HydrophobicContact CB-CG2 3.93Å; H139-V155 VanDerWaalsContact CG-CG2 3.45Å; H139-V155 VanDerWaalsContact ND1-CG2 3.35Å; H139-V155 WeakPolarHBondContact ND1-CG2 3.41Å
140D97.3Very high97.6Very high24 Ų2472.5 Ų72.513%0.12838%0.379CS..  trans-72.598.6163.6173.810.6000108.9I136 G143 D144 G145I136-D140 HydrophobicContact CG2-CB 4.13Å; I136-D140 WeakPolarHBondContact O-CB 3.34Å; I136-D140 PolarHBondContact O-N 3.32Å; D140-G143 WeakPolarHBondContact OD1-CA 3.45Å; D140-G143 PolarHBondContact OD1-N 3.05Å; D140-G143 WeakPolarHBondContact OD2-CA 3.42Å; D140-D144 PolarHBondContact OD1-N 3.08Å; D140-D144 PolarHBondContact OD2-N 3.29Å; D140-G145 VanDerWaalsContact OD2-CA 3.22Å; D140-G145 WeakPolarHBondContact OD2-CA 3.34Å; D140-G145 PolarHBondContact OD2-N 2.85Å
141K96.6Very high97.6Very high144 Ų14467.3 Ų67.363%0.62635%0.354SS*.SBendtrans-87.6-28.4-174.4-68.1-179.9-178.8178.70112.3H139 E151 D154H139-K141 PolarHBondContact O-N 3.14Å; K141-E151 HydrophobicContact CB-CG 4.42Å; K141-E151 HydrophobicContact CD-CG 4.45Å; K141-E151 HydrophobicContact CG-CG 4.39Å; K141-E151 PolarHBondContact N-OE1 2.94Å; K141-D154 IonicContact NZ-OD2 2.6Å; K141-D154 PolarHBondContact NZ-OD2 2.74Å
142D97.3Very high97.6Very high112 Ų11264.7 Ų64.760%0.59934%0.34SS*.SBendtrans-92.2-13.117973.812.1000113.4D144 E151D142-D144 WeakPolarHBondContact OD1-CB 3.46Å; D142-D144 PolarHBondContact OD1-N 3.47Å; D142-E151 PolarHBondContact N-OE1 3.26Å
143G96.6Very high97.4Very high61 Ų6166.1 Ų66.163%0.62935%0.35SS*.  trans8323.4171.100000113.8D140 G145D140-G143 WeakPolarHBondContact OD1-CA 3.45Å; D140-G143 PolarHBondContact OD1-N 3.05Å; D140-G143 WeakPolarHBondContact OD2-CA 3.42Å; G143-G145 VanDerWaalsContact C-N 3.28Å
144D97.8Very high97.2Very high69 Ų6967.1 Ų67.137%0.36936%0.355SS..SBendtrans-82.5-3.9-179.183.4-11000114.1D140 D142 K146D140-D144 PolarHBondContact OD1-N 3.08Å; D140-D144 PolarHBondContact OD2-N 3.29Å; D142-D144 WeakPolarHBondContact OD1-CB 3.46Å; D142-D144 PolarHBondContact OD1-N 3.47Å; D144-K146 VanDerWaalsContact CG-CG 3.44Å; D144-K146 WeakPolarHBondContact OD1-CG 3.39Å; D144-K146 PolarHBondContact OD1-N 3.05Å; D144-K146 WeakPolarHBondContact OD2-CE 3.46Å; D144-K146 WeakPolarHBondContact OD2-CG 3.3Å
145G97.4Very high96.8Very high41 Ų4163.2 Ų63.242%0.42334%0.342SS..SBendtrans88.68.7175.900000114.7D140 G143D140-G145 VanDerWaalsContact OD2-CA 3.22Å; D140-G145 WeakPolarHBondContact OD2-CA 3.34Å; D140-G145 PolarHBondContact OD2-N 2.85Å; G143-G145 VanDerWaalsContact C-N 3.28Å
146K98.3Very high96.5Very high49 Ų4961.9 Ų61.921%0.21333%0.334CS..SBendtrans-142172.1-179.151.8-172.7-171.7164.70110.1D103 Y105 I106 D144D103-K146 IonicContact OD2-NZ 3.63Å; Y105-K146 HydrophobicContact CD1-CD 3.68Å; Y105-K146 HydrophobicContact CD1-CG 3.82Å; Y105-K146 HydrophobicContact CD2-CD 4.2Å; Y105-K146 HydrophobicContact CE1-CD 4.43Å; Y105-K146 VanDerWaalsContact CE2-NZ 3.28Å; Y105-K146 HydrophobicContact CG-CD 3.54Å; Y105-K146 VanDerWaalsContact CG-CE 3.42Å; Y105-K146 HydrophobicContact CG-CG 4.1Å; Y105-K146 VanDerWaalsContact CG-NZ 3.32Å; I106-K146 WeakPolarHBondContact O-CA 3.33Å; I106-K146 WeakPolarHBondContact O-CB 3.18Å; D144-K146 VanDerWaalsContact CG-CG 3.44Å; D144-K146 WeakPolarHBondContact OD1-CG 3.39Å; D144-K146 PolarHBondContact OD1-N 3.05Å; D144-K146 WeakPolarHBondContact OD2-CE 3.46Å; D144-K146 WeakPolarHBondContact OD2-CG 3.3Å
147I98.4Very high95.8Very high11 Ų1162.2 Ų62.26%0.05634%0.339CS..EExtended strand (participates in β ladder)trans-109115.8179.1-67.6170.3000108.7Y105 I106 I136 H139 E151 F152Y105-I147 CarbonylContact C-O 3.53Å; Y105-I147 WeakPolarHBondContact CA-O 3.23Å; I106-I147 HydrophobicContact CB-CB 4.24Å; I106-I147 PolarHBondContact N-O 2.87Å; I106-I147 PolarHBondContact O-N 3.46Å; I136-I147 HydrophobicContact CD1-CD1 3.73Å; I136-I147 HydrophobicContact CD1-CG1 3.8Å; H139-I147 HydrophobicContact CB-CD1 4.18Å; H139-I147 HydrophobicContact CB-CG1 4.49Å; I147-E151 HydrophobicContact CG2-CB 4Å; I147-F152 HydrophobicContact CG2-CB 3.97Å
148S98.4Very high95.2Very high21 Ų2159.1 Ų59.115%0.14734%0.34CS..EExtended strand (participates in β ladder)trans-71164.6170.368.50000112E150 E151 F152S148-E150 PolarHBondContact O-N 3.15Å; S148-E151 WeakPolarHBondContact CB-OE2 3.49Å; S148-E151 PolarHBondContact N-OE2 3.21Å; S148-E151 PolarHBondContact O-N 2.73Å; S148-E151 VanDerWaalsContact OG-CD 3.29Å; S148-E151 WeakPolarHBondContact OG-CG 3.42Å; S148-E151 PolarHBondContact OG-N 3.41Å; S148-E151 PolarHBondContact OG-OE2 2.91Å; S148-F152 WeakPolarHBondContact O-CB 3.41Å; S148-F152 PolarHBondContact O-N 3.4Å
149F97.9Very high94.7Very high45 Ų4557.6 Ų57.620%0.19734%0.337CS..Hα-helixtrans-60.5-31.9174.7-180-115.5000113.4Q88 L91 K92 F95 C153Q88-F149 HydrophobicContact CG-CE1 4.13Å; Q88-F149 HydrophobicContact CG-CZ 4.13Å; L91-F149 HydrophobicContact CB-CE2 4.3Å; L91-F149 HydrophobicContact CB-CZ 4.31Å; K92-F149 HydrophobicContact CB-CE2 3.98Å; K92-F149 HydrophobicContact CB-CZ 3.96Å; K92-F149 HydrophobicContact CG-CE2 4.43Å; F95-F149 HydrophobicContact CB-CD2 3.82Å; F95-F149 HydrophobicContact CB-CE2 4.1Å; F95-F149 HydrophobicContact CD1-CD2 4.25Å; F95-F149 HydrophobicContact CD2-CB 4.42Å; F95-F149 AromaticContact CD2-CD2 3.92Å; F95-F149 HydrophobicContact CD2-CD2 3.92Å; F95-F149 HydrophobicContact CE1-CB 4.48Å; F95-F149 HydrophobicContact CE2-CB 4.23Å; F95-F149 AromaticContact CG-CD2 3.73Å; F95-F149 HydrophobicContact CG-CD2 3.73Å; F95-F149 HydrophobicContact CG-CE2 4.49Å; F95-F149 HydrophobicContact CZ-CB 4.25Å; F149-C153 WeakPolarHBondContact CZ-SG 3.26Å; F149-C153 WeakPolarHBondContact O-CB 3.36Å; F149-C153 PolarHBondContact O-N 2.89Å; F149-C153 PolarHBondContact O-SG 2.78Å
150E97.5Very high94.2Very high147 Ų14758.3 Ų58.369%0.68734%0.343SS*.Hα-helixtrans-67.2-49177.4-177.1168.9-176.500110.8S148 F152 C153 D154S148-E150 PolarHBondContact O-N 3.15Å; E150-F152 VanDerWaalsContact C-N 3.34Å; E150-F152 PolarHBondContact O-N 2.8Å; E150-C153 WeakPolarHBondContact O-CB 3.28Å; E150-C153 PolarHBondContact O-N 2.8Å; E150-C153 VanDerWaalsContact O-N 3.1Å; E150-D154 PolarHBondContact O-N 3.31Å
151E97.7Very high93.7Very high9 Ų959.9 Ų59.94%0.04235%0.351CS..Hα-helixtrans-62.6-41.3176.7-71.1159.7147.500112H139 K141 D142 I147 S148 C153 D154 V155H139-E151 WeakPolarHBondContact O-CB 3.46Å; H139-E151 WeakPolarHBondContact O-CG 3.44Å; K141-E151 HydrophobicContact CB-CG 4.42Å; K141-E151 HydrophobicContact CD-CG 4.45Å; K141-E151 HydrophobicContact CG-CG 4.39Å; K141-E151 PolarHBondContact N-OE1 2.94Å; D142-E151 PolarHBondContact N-OE1 3.26Å; I147-E151 HydrophobicContact CG2-CB 4Å; S148-E151 WeakPolarHBondContact CB-OE2 3.49Å; S148-E151 PolarHBondContact N-OE2 3.21Å; S148-E151 PolarHBondContact O-N 2.73Å; S148-E151 VanDerWaalsContact OG-CD 3.29Å; S148-E151 WeakPolarHBondContact OG-CG 3.42Å; S148-E151 PolarHBondContact OG-N 3.41Å; S148-E151 PolarHBondContact OG-OE2 2.91Å; E151-C153 VanDerWaalsContact C-N 3.31Å; E151-C153 PolarHBondContact O-N 3.3Å; E151-D154 WeakPolarHBondContact O-CB 3.36Å; E151-D154 PolarHBondContact O-N 2.73Å; E151-D154 VanDerWaalsContact O-N 3.15Å; E151-V155 WeakPolarHBondContact O-CG2 3.26Å; E151-V155 PolarHBondContact O-N 3.13Å; E151-V155 VanDerWaalsContact O-N 3.16Å
152F96.8Very high93Very high21 Ų2154.6 Ų54.69%0.09233%0.328CS..Hα-helixtrans-56.8-46.6172.3178.5-95.8000111.4A94 F95 Y98 I106 I147 S148 E150 D154 V155 V156A94-F152 HydrophobicContact CB-CE1 4.38Å; A94-F152 HydrophobicContact CB-CZ 4.15Å; F95-F152 HydrophobicContact CB-CD1 4.1Å; F95-F152 HydrophobicContact CB-CE1 4.06Å; F95-F152 HydrophobicContact CD2-CB 3.64Å; F95-F152 AromaticContact CD2-CD1 3.92Å; F95-F152 HydrophobicContact CD2-CD1 3.92Å; F95-F152 HydrophobicContact CD2-CD2 4.02Å; F95-F152 AromaticContact CD2-CG 3.61Å; F95-F152 HydrophobicContact CD2-CG 3.61Å; F95-F152 HydrophobicContact CE2-CB 3.95Å; F95-F152 HydrophobicContact CE2-CG 4.36Å; Y98-F152 HydrophobicContact CD2-CE2 4.41Å; Y98-F152 HydrophobicContact CE2-CE2 4.45Å; I106-F152 HydrophobicContact CD1-CD2 3.88Å; I106-F152 HydrophobicContact CD1-CE2 4.35Å; I147-F152 HydrophobicContact CG2-CB 3.97Å; S148-F152 WeakPolarHBondContact O-CB 3.41Å; S148-F152 PolarHBondContact O-N 3.4Å; E150-F152 VanDerWaalsContact C-N 3.34Å; E150-F152 PolarHBondContact O-N 2.8Å; F152-D154 VanDerWaalsContact C-N 3.27Å; F152-D154 PolarHBondContact O-N 2.75Å; F152-V155 PolarHBondContact O-N 3.49Å; F152-V155 VanDerWaalsContact O-N 3.1Å; F152-V156 HydrophobicContact CD1-CG2 3.66Å; F152-V156 HydrophobicContact CD2-CG1 4.49Å; F152-V156 HydrophobicContact CE1-CB 4.48Å; F152-V156 HydrophobicContact CE1-CG1 4.44Å; F152-V156 HydrophobicContact CE1-CG2 3.3Å; F152-V156 HydrophobicContact CE2-CG1 4.04Å; F152-V156 HydrophobicContact CE2-CG2 4.37Å; F152-V156 HydrophobicContact CG-CG2 4.34Å; F152-V156 HydrophobicContact CZ-CB 4.47Å; F152-V156 HydrophobicContact CZ-CG1 4.01Å; F152-V156 HydrophobicContact CZ-CG2 3.7Å; F152-V156 WeakPolarHBondContact O-CG2 3.29Å; F152-V156 PolarHBondContact O-N 2.97Å
153C95.5Very high92.5Very high30 Ų3054.9 Ų54.920%0.20333%0.326CS..Hα-helixtrans-62.3-34.2177.8-73.50000112.7F149 E150 E151 V155 G157F149-C153 WeakPolarHBondContact CZ-SG 3.26Å; F149-C153 WeakPolarHBondContact O-CB 3.36Å; F149-C153 PolarHBondContact O-N 2.89Å; F149-C153 PolarHBondContact O-SG 2.78Å; E150-C153 WeakPolarHBondContact O-CB 3.28Å; E150-C153 PolarHBondContact O-N 2.8Å; E150-C153 VanDerWaalsContact O-N 3.1Å; E151-C153 VanDerWaalsContact C-N 3.31Å; E151-C153 PolarHBondContact O-N 3.3Å; C153-V155 VanDerWaalsContact C-N 3.27Å; C153-V155 PolarHBondContact O-N 3Å; C153-G157 WeakPolarHBondContact O-CA 3.46Å; C153-G157 PolarHBondContact O-N 2.82Å
154D94.2Very high92.2Very high94 Ų9460.7 Ų60.750%0.50333%0.334SS..Hα-helixtrans-65.4-32.5175-73.2-23.4000112.3K141 E150 E151 F152K141-D154 IonicContact NZ-OD2 2.6Å; K141-D154 PolarHBondContact NZ-OD2 2.74Å; E150-D154 PolarHBondContact O-N 3.31Å; E151-D154 WeakPolarHBondContact O-CB 3.36Å; E151-D154 PolarHBondContact O-N 2.73Å; E151-D154 VanDerWaalsContact O-N 3.15Å; F152-D154 VanDerWaalsContact C-N 3.27Å; F152-D154 PolarHBondContact O-N 2.75Å
155V90.1Very high91.7Very high46 Ų4659 Ų5928%0.27932%0.324SS..Hα-helixtrans-77-53.3177179.90000111.5H139 E151 F152 C153H139-V155 HydrophobicContact CB-CG2 3.93Å; H139-V155 VanDerWaalsContact CG-CG2 3.45Å; H139-V155 VanDerWaalsContact ND1-CG2 3.35Å; H139-V155 WeakPolarHBondContact ND1-CG2 3.41Å; E151-V155 WeakPolarHBondContact O-CG2 3.26Å; E151-V155 PolarHBondContact O-N 3.13Å; E151-V155 VanDerWaalsContact O-N 3.16Å; F152-V155 PolarHBondContact O-N 3.49Å; F152-V155 VanDerWaalsContact O-N 3.1Å; C153-V155 VanDerWaalsContact C-N 3.27Å; C153-V155 PolarHBondContact O-N 3Å
156V90.7Very high91.2Very high15 Ų1559.1 Ų59.19%0.09132%0.317CS..Hα-helixtrans-96.5-12.8-168.5-56.70000114L91 F152 G158 M159 I161L91-V156 HydrophobicContact CD2-CG2 3.85Å; F152-V156 HydrophobicContact CD1-CG2 3.66Å; F152-V156 HydrophobicContact CD2-CG1 4.49Å; F152-V156 HydrophobicContact CE1-CB 4.48Å; F152-V156 HydrophobicContact CE1-CG1 4.44Å; F152-V156 HydrophobicContact CE1-CG2 3.3Å; F152-V156 HydrophobicContact CE2-CG1 4.04Å; F152-V156 HydrophobicContact CE2-CG2 4.37Å; F152-V156 HydrophobicContact CG-CG2 4.34Å; F152-V156 HydrophobicContact CZ-CB 4.47Å; F152-V156 HydrophobicContact CZ-CG1 4.01Å; F152-V156 HydrophobicContact CZ-CG2 3.7Å; F152-V156 WeakPolarHBondContact O-CG2 3.29Å; F152-V156 PolarHBondContact O-N 2.97Å; V156-G158 PolarHBondContact O-N 3.1Å; V156-G158 VanDerWaalsContact O-N 3.12Å; V156-M159 PolarHBondContact O-N 2.87Å; V156-I161 HydrophobicContact CB-CD1 3.89Å; V156-I161 HydrophobicContact CG1-CD1 4.17Å
157G83.7Confident90.2Very high17 Ų1760.1 Ų60.118%0.17533%0.326CS..THydrogen-bonded Turntrans-61.2-25.6-172.700000113.8K87 C153K87-G157 WeakPolarHBondContact CE-O 3.41Å; K87-G157 PolarHBondContact NZ-O 3.47Å; C153-G157 WeakPolarHBondContact O-CA 3.46Å; C153-G157 PolarHBondContact O-N 2.82Å
158G84.3Confident88.5Confident71 Ų7165.6 Ų65.673%0.73236%0.356SS*.THydrogen-bonded Turntrans-90.8-3176.700000115.6V156V156-G158 PolarHBondContact O-N 3.1Å; V156-G158 VanDerWaalsContact O-N 3.12Å
159M86.6Confident86.4Confident120 Ų12069.5 Ų69.559%0.59138%0.381SS*.THydrogen-bonded Turntrans-93.25.7-174.1-63.4-176.6-177.100114.1V156 I161V156-M159 PolarHBondContact O-N 2.87Å; M159-I161 HydrophobicContact CB-CD1 4.13Å; M159-I161 HydrophobicContact CB-CG1 3.82Å; M159-I161 PolarHBondContact O-N 3Å; M159-I161 HydrophobicContact SD-CD1 4.32Å
160D86.3Confident85.8Confident78 Ų7870.8 Ų70.842%0.41739%0.39SS..THydrogen-bonded Turntrans50.623.5-177.6-61-37.9000115.6H162 E163D160-H162 PolarHBondContact O-N 3.26Å; D160-H162 VanDerWaalsContact O-N 3.11Å; D160-H162 IonicContact OD1-CE1 2.76Å; D160-E163 HydrophobicContact CB-CG 4.18Å; D160-E163 WeakPolarHBondContact O-CB 3.31Å; D160-E163 PolarHBondContact O-N 3.05Å
161I85.1Confident85.2Confident57 Ų5766.7 Ų66.729%0.29237%0.374SS..Hα-helixtrans-53.8-38.6-179.7-63.3177.6000111.5V156 M159 E163 K164 M165V156-I161 HydrophobicContact CB-CD1 3.89Å; V156-I161 HydrophobicContact CG1-CD1 4.17Å; M159-I161 HydrophobicContact CB-CD1 4.13Å; M159-I161 HydrophobicContact CB-CG1 3.82Å; M159-I161 PolarHBondContact O-N 3Å; M159-I161 HydrophobicContact SD-CD1 4.32Å; I161-E163 PolarHBondContact O-N 2.92Å; I161-E163 VanDerWaalsContact O-N 3.14Å; I161-K164 WeakPolarHBondContact O-CB 3.44Å; I161-K164 PolarHBondContact O-N 2.83Å; I161-M165 HydrophobicContact CG2-CG 4.39Å; I161-M165 HydrophobicContact CG2-SD 3.88Å; I161-M165 PolarHBondContact O-N 3.06Å
162H83.5Confident84.5Confident32 Ų3269.9 Ų69.915%0.14839%0.393CS..Hα-helixtrans-57.3-26.1177.372.2-65.4000114.3K87 K90 D160 M165K87-H162 HydrophobicContact CG-CB 4.07Å; K90-H162 HydrophobicContact CB-CB 3.98Å; K90-H162 HydrophobicContact CD-CB 4.14Å; K90-H162 WeakPolarHBondContact CD-O 3.18Å; D160-H162 PolarHBondContact O-N 3.26Å; D160-H162 VanDerWaalsContact O-N 3.11Å; D160-H162 IonicContact OD1-CE1 2.76Å; H162-M165 PolarHBondContact O-N 2.88Å
163E86.6Confident83.8Confident119 Ų11972.8 Ų72.856%0.55641%0.411SS*.Hα-helixtrans-75.7-27.6176.1-57.1-171.3163.300112D160 I161 M165D160-E163 HydrophobicContact CB-CG 4.18Å; D160-E163 WeakPolarHBondContact O-CB 3.31Å; D160-E163 PolarHBondContact O-N 3.05Å; I161-E163 PolarHBondContact O-N 2.92Å; I161-E163 VanDerWaalsContact O-N 3.14Å; E163-M165 VanDerWaalsContact C-N 3.31Å
164K89.2Confident83Confident183 Ų18375.5 Ų75.580%0.79642%0.424SS*.Hα-helixtrans-79.3-16.9174.9-56.7-57.2-177.7-172.10112.7I161 V166I161-K164 WeakPolarHBondContact O-CB 3.44Å; I161-K164 PolarHBondContact O-N 2.83Å; K164-V166 VanDerWaalsContact C-N 3.28Å; K164-V166 PolarHBondContact O-N 3.02Å
165M87.6Confident82.3Confident32 Ų3274.3 Ų74.316%0.15842%0.418CS..SBendtrans-95.137.7178.5-63.3175.375.300111.6F81 K90 F93 A94 I161 H162 E163F81-M165 HydrophobicContact CD1-CB 4.03Å; F81-M165 HydrophobicContact CD1-CE 4.43Å; F81-M165 WeakPolarHBondContact CD1-O 3.37Å; F81-M165 HydrophobicContact CE1-CB 4.31Å; F81-M165 HydrophobicContact CE1-CE 3.68Å; K90-M165 HydrophobicContact CB-CB 4.37Å; K90-M165 HydrophobicContact CB-SD 4.29Å; K90-M165 HydrophobicContact CD-CB 4.13Å; K90-M165 VanDerWaalsContact CE-O 3.22Å; K90-M165 WeakPolarHBondContact CE-O 3.38Å; K90-M165 WeakPolarHBondContact O-CE 3.08Å; F93-M165 HydrophobicContact CB-CE 4.04Å; F93-M165 HydrophobicContact CD1-CE 3.52Å; F93-M165 HydrophobicContact CE1-CE 4.46Å; F93-M165 HydrophobicContact CG-CE 4.14Å; A94-M165 HydrophobicContact CB-CE 4.17Å; A94-M165 HydrophobicContact CB-SD 4.14Å; I161-M165 HydrophobicContact CG2-CG 4.39Å; I161-M165 HydrophobicContact CG2-SD 3.88Å; I161-M165 PolarHBondContact O-N 3.06Å; H162-M165 PolarHBondContact O-N 2.88Å; E163-M165 VanDerWaalsContact C-N 3.31Å
166V85.9Confident81.7Confident45 Ų4576.3 Ų76.327%0.27343%0.428SS..  trans-110.9121.1176.31780000108.7F81 V83 K164F81-V166 WeakPolarHBondContact O-CA 3.09Å; V83-V166 HydrophobicContact CB-CG1 4.13Å; V83-V166 HydrophobicContact CG2-CG1 3.54Å; K164-V166 VanDerWaalsContact C-N 3.28Å; K164-V166 PolarHBondContact O-N 3.02Å
167V78.2Confident81Confident69 Ų6981 Ų8142%0.41845%0.454SS..  trans-90.5112.6169.1176.90000107.2F81F81-V167 HydrophobicContact CB-CB 4.18Å; F81-V167 HydrophobicContact CB-CG2 3.73Å; F81-V167 HydrophobicContact CG-CG2 4.37Å; F81-V167 PolarHBondContact O-N 2.94Å
168N63.9Low80.8Confident127 Ų12786.3 Ų86.368%0.67948%0.477SS*.  trans-67.2131.9169.5-76.7-26.7000108.9
169P52.8Low80.5Confident103 Ų10387.7 Ų87.767%0.66945%0.454SS*.  trans-49.90178.7-29.635.2000115.3R21R21-P169 PolarHBondContact NE-OXT 3.38Å

Retrieved 169 of 169 residues in 194.9 ms (Link to these results)

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