A0A087XJD2_POEFO Loading...

Serine/threonine-protein phosphatase

AlphaFold DB (A0A3B3V2T1), UniProt , Accession A0A087XJD2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 309 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M59.1Low87.5Confident164 Ų16492.2 Ų92.281%0.80845%0.452SS*.  0130.20-162.3-175.9-53.200106.5T5 F6M1-T5 HydrophobicContact CG-CG2 4.11Å; M1-T5 HydrophobicContact SD-CG2 4.38Å; M1-F6 HydrophobicContact SD-CB 3.89Å; M1-F6 HydrophobicContact SD-CD2 4.07Å; M1-F6 HydrophobicContact SD-CG 4.48Å
2D82.9Confident88.4Confident111 Ų11193.3 Ų93.359%0.59446%0.455SS*.  trans-66.3145.9176.1-174.913.3000109.9K4 T5 F6D2-K4 VanDerWaalsContact C-N 3.28Å; D2-K4 PolarHBondContact O-N 3.31Å; D2-T5 WeakPolarHBondContact O-CB 3.33Å; D2-T5 PolarHBondContact O-N 3.04Å; D2-F6 PolarHBondContact O-N 3.05Å
3E81.3Confident89.2Confident148 Ų14886.6 Ų86.669%0.69242%0.422SS*.Hα-helixtrans-58.3-40.9-172.2-171.9172.3-16500111.4T5 F6 T7E3-T5 VanDerWaalsContact C-N 3.3Å; E3-T5 PolarHBondContact O-N 3.23Å; E3-F6 PolarHBondContact O-N 2.94Å; E3-T7 PolarHBondContact O-N 3.33Å; E3-T7 PolarHBondContact O-OG1 3.48Å
4K82.6Confident89.9Confident170 Ų17081.6 Ų81.674%0.73940%0.398SS*.Hα-helixtrans-60.7-37176.4-70.5-178.4177.7177.30113.3D2 K8D2-K4 VanDerWaalsContact C-N 3.28Å; D2-K4 PolarHBondContact O-N 3.31Å; K4-K8 PolarHBondContact O-N 3.34Å
5T88.4Confident90.4Very high80 Ų8084.6 Ų84.649%0.49141%0.411SS..Hα-helixtrans-70.2-42.5179.4-56.50000110.5M1 D2 E3 K8 E9M1-T5 HydrophobicContact CG-CG2 4.11Å; M1-T5 HydrophobicContact SD-CG2 4.38Å; D2-T5 WeakPolarHBondContact O-CB 3.33Å; D2-T5 PolarHBondContact O-N 3.04Å; E3-T5 VanDerWaalsContact C-N 3.3Å; E3-T5 PolarHBondContact O-N 3.23Å; T5-K8 PolarHBondContact O-N 3.49Å; T5-E9 PolarHBondContact O-N 3.25Å; T5-E9 VanDerWaalsContact O-N 3.07Å
6F90.9Very high90.9Very high29 Ų2983.3 Ų83.313%0.12740%0.404CS..Hα-helixtrans-66-39.7177.3-177.1-110.7000112M1 D2 E3 K8 E9 L10 W13 T30 K34 V105M1-F6 HydrophobicContact SD-CB 3.89Å; M1-F6 HydrophobicContact SD-CD2 4.07Å; M1-F6 HydrophobicContact SD-CG 4.48Å; D2-F6 PolarHBondContact O-N 3.05Å; E3-F6 PolarHBondContact O-N 2.94Å; F6-K8 VanDerWaalsContact C-N 3.35Å; F6-K8 PolarHBondContact O-N 3.44Å; F6-E9 PolarHBondContact O-N 3.47Å; F6-L10 HydrophobicContact CE1-CD2 4.32Å; F6-L10 WeakPolarHBondContact O-CB 3.4Å; F6-L10 PolarHBondContact O-N 3.07Å; F6-W13 HydrophobicContact CE2-CH2 4.41Å; F6-T30 HydrophobicContact CE2-CG2 4.26Å; F6-K34 HydrophobicContact CE1-CD 4.11Å; F6-K34 HydrophobicContact CE1-CG 4.16Å; F6-K34 HydrophobicContact CE2-CG 4.46Å; F6-K34 HydrophobicContact CZ-CB 4.31Å; F6-K34 HydrophobicContact CZ-CD 4.14Å; F6-K34 HydrophobicContact CZ-CG 3.72Å; F6-V105 HydrophobicContact CE1-CG1 4.13Å; F6-V105 HydrophobicContact CZ-CG1 4.39Å
7T92.2Very high91.4Very high46 Ų4678.4 Ų78.428%0.28238%0.38SS..Hα-helixtrans-58.5-46.1174.8-54.90000111.9E3 E9 L10 D11E3-T7 PolarHBondContact O-N 3.33Å; E3-T7 PolarHBondContact O-OG1 3.48Å; T7-E9 VanDerWaalsContact C-N 3.35Å; T7-E9 PolarHBondContact O-N 2.69Å; T7-L10 PolarHBondContact O-N 2.98Å; T7-D11 PolarHBondContact O-N 3.3Å
8K94.1Very high91.7Very high140 Ų14078.3 Ų78.361%0.60938%0.382SS*.Hα-helixtrans-64.2-39.4179-175.4179.5178.1-178.20112.3K4 T5 F6 L10 D11 Q12K4-K8 PolarHBondContact O-N 3.34Å; T5-K8 PolarHBondContact O-N 3.49Å; F6-K8 VanDerWaalsContact C-N 3.35Å; F6-K8 PolarHBondContact O-N 3.44Å; K8-L10 VanDerWaalsContact C-N 3.35Å; K8-D11 PolarHBondContact O-N 3.29Å; K8-Q12 WeakPolarHBondContact O-CG 3.44Å; K8-Q12 PolarHBondContact O-N 3.37Å
9E95.9Very high92Very high60 Ų6080 Ų8028%0.2839%0.389SS..Hα-helixtrans-63.7-42.1175178172.8-148.400111.3T5 F6 T7 D11 Q12 W13T5-E9 PolarHBondContact O-N 3.25Å; T5-E9 VanDerWaalsContact O-N 3.07Å; F6-E9 PolarHBondContact O-N 3.47Å; T7-E9 VanDerWaalsContact C-N 3.35Å; T7-E9 PolarHBondContact O-N 2.69Å; E9-D11 PolarHBondContact O-N 2.86Å; E9-Q12 WeakPolarHBondContact O-CB 3.48Å; E9-Q12 PolarHBondContact O-N 3.24Å; E9-W13 HydrophobicContact CG-CD2 4.46Å; E9-W13 HydrophobicContact CG-CZ2 3.73Å; E9-W13 VanDerWaalsContact CG-NE1 3.29Å; E9-W13 PolarHBondContact O-N 3.44Å; E9-W13 WeakPolarHBondContact OE1-CZ2 3.45Å
10L97.1Very high92.3Very high3 Ų377.5 Ų77.52%0.01638%0.379CS..Hα-helixtrans-66.6-36.3178.7-167.260.5000112.6F6 T7 K8 Q12 W13 I14 L31 A102 V105 R106F6-L10 HydrophobicContact CE1-CD2 4.32Å; F6-L10 WeakPolarHBondContact O-CB 3.4Å; F6-L10 PolarHBondContact O-N 3.07Å; T7-L10 PolarHBondContact O-N 2.98Å; K8-L10 VanDerWaalsContact C-N 3.35Å; L10-Q12 VanDerWaalsContact C-N 3.29Å; L10-Q12 PolarHBondContact O-N 3Å; L10-W13 HydrophobicContact CD1-CD2 4.44Å; L10-W13 HydrophobicContact CD1-CE3 3.66Å; L10-W13 HydrophobicContact CD1-CZ3 4.2Å; L10-W13 PolarHBondContact O-N 3.18Å; L10-I14 HydrophobicContact CG-CD1 4.49Å; L10-I14 WeakPolarHBondContact O-CG1 3.46Å; L10-I14 PolarHBondContact O-N 3.38Å; L10-L31 HydrophobicContact CD1-CD1 3.89Å; L10-A102 HydrophobicContact CD1-CB 4.33Å; L10-V105 HydrophobicContact CD2-CB 4Å; L10-V105 HydrophobicContact CD2-CG1 3.62Å; L10-R106 HydrophobicContact CD2-CB 3.54Å; L10-R106 HydrophobicContact CD2-CG 4.27Å; L10-R106 HydrophobicContact CG-CB 4.03Å
11D98Very high92.6Very high63 Ų6379.1 Ų79.134%0.33738%0.384SS..Hα-helixtrans-59.6-40.9172.3-70.8-28.9000111.2T7 K8 E9 I14 E15 R106T7-D11 PolarHBondContact O-N 3.3Å; K8-D11 PolarHBondContact O-N 3.29Å; E9-D11 PolarHBondContact O-N 2.86Å; D11-I14 PolarHBondContact O-N 3.44Å; D11-E15 PolarHBondContact O-N 2.75Å; D11-R106 IonicContact OD1-CZ 3.44Å; D11-R106 IonicContact OD1-NE 2.69Å; D11-R106 PolarHBondContact OD1-NE 3.49Å; D11-R106 IonicContact OD1-NH2 3.33Å; D11-R106 PolarHBondContact OD1-NH2 2.63Å; D11-R106 IonicContact OD2-NE 3.78Å; D11-R106 IonicContact OD2-NH2 3.56Å
12Q98.3Very high94.5Very high105 Ų10574 Ų7449%0.49136%0.358SS..Hα-helixtrans-68.1-37.5175.9-67.6174.9-15.800112.4K8 E9 L10 I14 E15 Q16K8-Q12 WeakPolarHBondContact O-CG 3.44Å; K8-Q12 PolarHBondContact O-N 3.37Å; E9-Q12 WeakPolarHBondContact O-CB 3.48Å; E9-Q12 PolarHBondContact O-N 3.24Å; L10-Q12 VanDerWaalsContact C-N 3.29Å; L10-Q12 PolarHBondContact O-N 3Å; Q12-I14 VanDerWaalsContact C-N 3.33Å; Q12-E15 PolarHBondContact O-N 3.19Å; Q12-Q16 WeakPolarHBondContact O-CB 3.23Å; Q12-Q16 PolarHBondContact O-N 3.09Å
13W98.7Very high95.3Very high7 Ų768.8 Ų68.83%0.02733%0.331CS..Hα-helixtrans-63.4-41.6175.1-66.44.3000111.1F6 E9 L10 Q16 L17 L23 Q27 T30 L31F6-W13 HydrophobicContact CE2-CH2 4.41Å; E9-W13 HydrophobicContact CG-CD2 4.46Å; E9-W13 HydrophobicContact CG-CZ2 3.73Å; E9-W13 VanDerWaalsContact CG-NE1 3.29Å; E9-W13 PolarHBondContact O-N 3.44Å; E9-W13 WeakPolarHBondContact OE1-CZ2 3.45Å; L10-W13 HydrophobicContact CD1-CD2 4.44Å; L10-W13 HydrophobicContact CD1-CE3 3.66Å; L10-W13 HydrophobicContact CD1-CZ3 4.2Å; L10-W13 PolarHBondContact O-N 3.18Å; W13-Q16 PolarHBondContact O-N 3.23Å; W13-L17 WeakPolarHBondContact O-CB 3.3Å; W13-L17 WeakPolarHBondContact O-CD1 3.43Å; W13-L17 WeakPolarHBondContact O-CG 3.42Å; W13-L17 PolarHBondContact O-N 2.93Å; W13-L23 HydrophobicContact CB-CD1 4.11Å; W13-L23 HydrophobicContact CB-CD2 3.84Å; W13-L23 HydrophobicContact CD2-CD1 3.99Å; W13-L23 HydrophobicContact CE3-CD1 3.83Å; W13-L23 HydrophobicContact CG-CD1 4.13Å; W13-L23 HydrophobicContact CG-CD2 3.95Å; W13-Q27 HydrophobicContact CH2-CB 4.16Å; W13-Q27 HydrophobicContact CH2-CG 4.33Å; W13-Q27 HydrophobicContact CZ2-CB 3.98Å; W13-Q27 HydrophobicContact CZ2-CG 3.68Å; W13-T30 HydrophobicContact CH2-CG2 4.11Å; W13-L31 HydrophobicContact CE3-CD1 4.37Å; W13-L31 HydrophobicContact CZ3-CB 3.99Å; W13-L31 HydrophobicContact CZ3-CD1 4.27Å
14I98.7Very high96.1Very high16 Ų1664.6 Ų64.68%0.08232%0.318CS..Hα-helixtrans-63.7-43.6175.6-69.4163.9000110.6L10 D11 Q12 L17 N18 L99 A102 L103 R106 F107L10-I14 HydrophobicContact CG-CD1 4.49Å; L10-I14 WeakPolarHBondContact O-CG1 3.46Å; L10-I14 PolarHBondContact O-N 3.38Å; D11-I14 PolarHBondContact O-N 3.44Å; Q12-I14 VanDerWaalsContact C-N 3.33Å; I14-L17 PolarHBondContact O-N 3Å; I14-N18 WeakPolarHBondContact CG2-ND2 3.44Å; I14-N18 PolarHBondContact O-N 2.81Å; I14-N18 PolarHBondContact O-ND2 3.24Å; I14-L99 HydrophobicContact CG2-CD1 4.2Å; I14-A102 HydrophobicContact CD1-CB 4.5Å; I14-A102 HydrophobicContact CG1-CB 3.81Å; I14-L103 HydrophobicContact CD1-CD2 4.21Å; I14-L103 HydrophobicContact CG2-CD2 4.29Å; I14-R106 HydrophobicContact CD1-CB 3.68Å; I14-R106 HydrophobicContact CD1-CG 3.74Å; I14-F107 HydrophobicContact CD1-CE2 4.37Å
15E98.4Very high96.9Very high127 Ų12759.1 Ų59.159%0.59330%0.295SS*.Hα-helixtrans-58.9-48.2175.4-174175.6-166.200111.7D11 Q12 L17 N18 E19D11-E15 PolarHBondContact O-N 2.75Å; Q12-E15 PolarHBondContact O-N 3.19Å; E15-L17 VanDerWaalsContact C-N 3.33Å; E15-L17 PolarHBondContact O-N 2.89Å; E15-N18 PolarHBondContact O-N 2.93Å; E15-E19 PolarHBondContact O-N 3.19Å
16Q98.5Very high97.4Very high63 Ų6357.5 Ų57.529%0.29429%0.294SS..Hα-helixtrans-57.8-44.2175175.1179.5-32.700112.1Q12 W13 E19 K21 Q22Q12-Q16 WeakPolarHBondContact O-CB 3.23Å; Q12-Q16 PolarHBondContact O-N 3.09Å; W13-Q16 PolarHBondContact O-N 3.23Å; Q16-E19 WeakPolarHBondContact O-CB 3.42Å; Q16-E19 PolarHBondContact O-N 3.28Å; Q16-E19 VanDerWaalsContact O-N 3.16Å; Q16-K21 HydrophobicContact CG-CB 3.76Å; Q16-K21 PolarHBondContact O-N 3.46Å; Q16-Q22 PolarHBondContact NE2-O 3.46Å
17L98.6Very high97.7Very high0 Ų058.1 Ų58.10%030%0.297CS..Hα-helixtrans-66.6-36.4179.9-74.4161.8000112W13 I14 E15 E19 C20 L23 F62 T98 L99 A102W13-L17 WeakPolarHBondContact O-CB 3.3Å; W13-L17 WeakPolarHBondContact O-CD1 3.43Å; W13-L17 WeakPolarHBondContact O-CG 3.42Å; W13-L17 PolarHBondContact O-N 2.93Å; I14-L17 PolarHBondContact O-N 3Å; E15-L17 VanDerWaalsContact C-N 3.33Å; E15-L17 PolarHBondContact O-N 2.89Å; L17-E19 PolarHBondContact O-N 2.93Å; L17-C20 WeakPolarHBondContact O-CA 3.48Å; L17-C20 PolarHBondContact O-N 3.41Å; L17-L23 HydrophobicContact CD1-CD1 4.17Å; L17-L23 HydrophobicContact CD1-CD2 4.36Å; L17-L23 HydrophobicContact CD1-CG 4.16Å; L17-L23 HydrophobicContact CD2-CG 4.22Å; L17-L23 HydrophobicContact CG-CD2 4.21Å; L17-L23 HydrophobicContact CG-CG 4.23Å; L17-F62 WeakPolarHBondContact O-CZ 3.38Å; L17-T98 HydrophobicContact CD1-CG2 3.75Å; L17-T98 HydrophobicContact CD2-CG2 3.76Å; L17-T98 HydrophobicContact CG-CG2 4.39Å; L17-L99 HydrophobicContact CB-CB 4.24Å; L17-L99 HydrophobicContact CB-CD1 3.92Å; L17-L99 HydrophobicContact CD1-CB 4.48Å; L17-A102 HydrophobicContact CD1-CB 4.01Å
18N97.7Very high98Very high77 Ų7756 Ų5641%0.41228%0.284SS..Hα-helixtrans-61.9-25.2173.7-78.9-64.2000112.8I14 E15 C20I14-N18 WeakPolarHBondContact CG2-ND2 3.44Å; I14-N18 PolarHBondContact O-N 2.81Å; I14-N18 PolarHBondContact O-ND2 3.24Å; E15-N18 PolarHBondContact O-N 2.93Å; N18-C20 PolarHBondContact O-N 3.4Å
19E97.6Very high98.3Very high111 Ų11154.2 Ų54.252%0.51928%0.276SS..THydrogen-bonded Turntrans-80.69.1170.3-59.7-174.9168.400113.5E15 Q16 L17 K21E15-E19 PolarHBondContact O-N 3.19Å; Q16-E19 WeakPolarHBondContact O-CB 3.42Å; Q16-E19 PolarHBondContact O-N 3.28Å; Q16-E19 VanDerWaalsContact O-N 3.16Å; L17-E19 PolarHBondContact O-N 2.93Å; E19-K21 VanDerWaalsContact C-N 3.29Å; E19-K21 HydrophobicContact CB-CD 4.22Å; E19-K21 HydrophobicContact CB-CG 4.35Å; E19-K21 PolarHBondContact O-N 3.34Å; E19-K21 WeakPolarHBondContact OE2-CE 3.37Å; E19-K21 IonicContact OE2-NZ 2.66Å; E19-K21 PolarHBondContact OE2-NZ 3.35Å
20C97.9Very high98.4Very high29 Ų2954.3 Ų54.320%0.19628%0.281CS..THydrogen-bonded Turntrans58.837.6-175.4-1640000112.8L17 N18 F62L17-C20 WeakPolarHBondContact O-CA 3.48Å; L17-C20 PolarHBondContact O-N 3.41Å; N18-C20 PolarHBondContact O-N 3.4Å; C20-F62 HydrophobicContact CB-CD1 3.82Å; C20-F62 HydrophobicContact CB-CE1 3.56Å; C20-F62 HydrophobicContact CB-CZ 4.26Å; C20-F62 VanDerWaalsContact SG-CD1 3.55Å
21K98.4Very high98.5Very high112 Ų11254.2 Ų54.249%0.48728%0.281SS..  trans-109.3118.2175.9-66.2171.7-177165.80109.9Q16 E19Q16-K21 HydrophobicContact CG-CB 3.76Å; Q16-K21 PolarHBondContact O-N 3.46Å; E19-K21 VanDerWaalsContact C-N 3.29Å; E19-K21 HydrophobicContact CB-CD 4.22Å; E19-K21 HydrophobicContact CB-CG 4.35Å; E19-K21 PolarHBondContact O-N 3.34Å; E19-K21 WeakPolarHBondContact OE2-CE 3.37Å; E19-K21 IonicContact OE2-NZ 2.66Å; E19-K21 PolarHBondContact OE2-NZ 3.35Å
22Q98.4Very high98.5Very high56 Ų5651.2 Ų51.226%0.26227%0.265SS..PPolyproline II helixtrans-56.514917669.3-175.974.100112.1Q16 V94 E95 K136 Y137Q16-Q22 PolarHBondContact NE2-O 3.46Å; Q22-V94 HydrophobicContact CB-CG1 4.03Å; Q22-E95 HydrophobicContact CB-CG 4.49Å; Q22-K136 PolarHBondContact NE2-O 3.16Å; Q22-K136 VanDerWaalsContact OE1-CB 3.31Å; Q22-K136 VanDerWaalsContact OE1-CG 3.29Å; Q22-Y137 VanDerWaalsContact NE2-CE1 3.3Å
23L98.8Very high98.5Very high2 Ų250.4 Ų50.41%0.0126%0.261CS..PPolyproline II helixtrans-73.6166.1167.9-60.5-175.2000110.7W13 L17 Q27 V28 L31 T98 Y137W13-L23 HydrophobicContact CB-CD1 4.11Å; W13-L23 HydrophobicContact CB-CD2 3.84Å; W13-L23 HydrophobicContact CD2-CD1 3.99Å; W13-L23 HydrophobicContact CE3-CD1 3.83Å; W13-L23 HydrophobicContact CG-CD1 4.13Å; W13-L23 HydrophobicContact CG-CD2 3.95Å; L17-L23 HydrophobicContact CD1-CD1 4.17Å; L17-L23 HydrophobicContact CD1-CD2 4.36Å; L17-L23 HydrophobicContact CD1-CG 4.16Å; L17-L23 HydrophobicContact CD2-CG 4.22Å; L17-L23 HydrophobicContact CG-CD2 4.21Å; L17-L23 HydrophobicContact CG-CG 4.23Å; L23-Q27 HydrophobicContact CB-CB 3.92Å; L23-Q27 HydrophobicContact CD1-CB 4.22Å; L23-V28 HydrophobicContact CB-CG2 4.05Å; L23-L31 HydrophobicContact CD1-CD2 4.21Å; L23-T98 HydrophobicContact CB-CG2 4.4Å; L23-T98 HydrophobicContact CD1-CG2 3.61Å; L23-T98 HydrophobicContact CG-CG2 3.83Å; L23-Y137 VanDerWaalsContact O-CE1 3.23Å; L23-Y137 WeakPolarHBondContact O-CE1 3.36Å; L23-Y137 PolarHBondContact O-OH 2.85Å; L23-Y137 VanDerWaalsContact O-OH 3.13Å
24S98.8Very high98.5Very high61 Ų6153 Ų5343%0.42727%0.273SS..PPolyproline II helixtrans-73.5159.117066.70000111.9G26 Q27 V28S24-G26 VanDerWaalsContact C-N 3.26Å; S24-G26 PolarHBondContact O-N 3.16Å; S24-Q27 WeakPolarHBondContact O-CB 3.39Å; S24-Q27 PolarHBondContact O-N 3.16Å; S24-Q27 VanDerWaalsContact O-N 3.08Å; S24-Q27 VanDerWaalsContact OG-CG 3.3Å; S24-Q27 WeakPolarHBondContact OG-CG 3.42Å; S24-Q27 PolarHBondContact OG-N 2.66Å; S24-Q27 PolarHBondContact OG-OE1 3.17Å; S24-V28 WeakPolarHBondContact O-CG2 3.44Å; S24-V28 PolarHBondContact O-N 3.4Å
25E98.8Very high98.5Very high55 Ų5552.3 Ų52.326%0.25727%0.269SS..Hα-helixtrans-52.9-42.4177.6179.5-177.5144.200112.6V28 K29 Y137 N139 N141 V142 Y145E25-V28 PolarHBondContact O-N 2.79Å; E25-K29 PolarHBondContact O-N 2.79Å; E25-Y137 HydrophobicContact CB-CD1 4.3Å; E25-N139 PolarHBondContact OE2-ND2 2.84Å; E25-N139 PolarHBondContact OE2-OD1 3.25Å; E25-N141 HydrophobicContact CG-CB 4.32Å; E25-N141 WeakPolarHBondContact OE1-CB 3.39Å; E25-N141 PolarHBondContact OE1-ND2 3.35Å; E25-V142 HydrophobicContact CB-CG2 4.11Å; E25-V142 HydrophobicContact CG-CG2 3.96Å; E25-Y145 HydrophobicContact CG-CE2 3.98Å
26G98.7Very high98.6Very high45 Ų4547.6 Ų47.646%0.46425%0.246SC..Hα-helixtrans-64.4-40.9178.200000113S24 K29 T30S24-G26 VanDerWaalsContact C-N 3.26Å; S24-G26 PolarHBondContact O-N 3.16Å; G26-K29 PolarHBondContact O-N 2.93Å; G26-T30 PolarHBondContact O-N 3.36Å; G26-T30 VanDerWaalsContact O-N 3.08Å; G26-T30 PolarHBondContact O-OG1 2.95Å
27Q98.8Very high98.6Very high43 Ų4349 Ų4920%0.20125%0.253CS..Hα-helixtrans-66.6-43.1175.9-71.2167.3-57.300111.2W13 L23 S24 K29 T30 L31W13-Q27 HydrophobicContact CH2-CB 4.16Å; W13-Q27 HydrophobicContact CH2-CG 4.33Å; W13-Q27 HydrophobicContact CZ2-CB 3.98Å; W13-Q27 HydrophobicContact CZ2-CG 3.68Å; L23-Q27 HydrophobicContact CB-CB 3.92Å; L23-Q27 HydrophobicContact CD1-CB 4.22Å; S24-Q27 WeakPolarHBondContact O-CB 3.39Å; S24-Q27 PolarHBondContact O-N 3.16Å; S24-Q27 VanDerWaalsContact O-N 3.08Å; S24-Q27 VanDerWaalsContact OG-CG 3.3Å; S24-Q27 WeakPolarHBondContact OG-CG 3.42Å; S24-Q27 PolarHBondContact OG-N 2.66Å; S24-Q27 PolarHBondContact OG-OE1 3.17Å; Q27-K29 VanDerWaalsContact C-N 3.33Å; Q27-K29 PolarHBondContact O-N 3.32Å; Q27-T30 PolarHBondContact O-N 2.72Å; Q27-L31 VanDerWaalsContact O-CB 3.28Å; Q27-L31 WeakPolarHBondContact O-CB 3.43Å; Q27-L31 PolarHBondContact O-N 3.07Å
28V98.9Very high98.6Very high0 Ų049.7 Ų49.70%026%0.256CS..Hα-helixtrans-59.2-45.6175.4172.90000110.8L23 S24 E25 T30 L31 C32 V142 Y145 F146L23-V28 HydrophobicContact CB-CG2 4.05Å; S24-V28 WeakPolarHBondContact O-CG2 3.44Å; S24-V28 PolarHBondContact O-N 3.4Å; E25-V28 PolarHBondContact O-N 2.79Å; V28-T30 PolarHBondContact O-N 2.83Å; V28-L31 WeakPolarHBondContact O-CB 3.4Å; V28-L31 PolarHBondContact O-N 3.02Å; V28-C32 PolarHBondContact O-N 3.26Å; V28-C32 PolarHBondContact O-SG 2.9Å; V28-C32 VanDerWaalsContact O-SG 3.39Å; V28-V142 HydrophobicContact CB-CG2 4.43Å; V28-V142 HydrophobicContact CG1-CG1 4.07Å; V28-V142 HydrophobicContact CG1-CG2 4.4Å; V28-Y145 HydrophobicContact CG1-CD2 4.45Å; V28-F146 HydrophobicContact CG1-CD2 4.15Å; V28-F146 HydrophobicContact CG1-CE1 4.45Å; V28-F146 HydrophobicContact CG1-CE2 3.51Å; V28-F146 HydrophobicContact CG1-CZ 3.67Å; V28-F146 HydrophobicContact CG2-CE2 4.48Å
29K98.8Very high98.6Very high103 Ų10346 Ų4645%0.44824%0.237SC..Hα-helixtrans-55.9-52.3175.9-172.3-177.7-179.9177.60111.4E25 G26 Q27 L31 C32 E33 Y145E25-K29 PolarHBondContact O-N 2.79Å; G26-K29 PolarHBondContact O-N 2.93Å; Q27-K29 VanDerWaalsContact C-N 3.33Å; Q27-K29 PolarHBondContact O-N 3.32Å; K29-L31 VanDerWaalsContact C-N 3.3Å; K29-L31 PolarHBondContact O-N 2.96Å; K29-C32 PolarHBondContact O-N 3.21Å; K29-E33 WeakPolarHBondContact O-CG 3.46Å; K29-E33 PolarHBondContact O-N 2.97Å; K29-E33 VanDerWaalsContact O-N 3.08Å; K29-Y145 HydrophobicContact CB-CD2 3.8Å; K29-Y145 HydrophobicContact CB-CE2 3.58Å; K29-Y145 HydrophobicContact CB-CG 4.46Å; K29-Y145 HydrophobicContact CD-CE1 4.37Å; K29-Y145 HydrophobicContact CD-CE2 4.18Å; K29-Y145 HydrophobicContact CG-CD2 4.25Å; K29-Y145 HydrophobicContact CG-CE1 4.2Å; K29-Y145 HydrophobicContact CG-CE2 3.91Å
30T98.6Very high98.7Very high63 Ų6344.2 Ų44.239%0.38723%0.234SC..Hα-helixtrans-60.5-40.9178.8-64.50000111.9F6 W13 G26 Q27 V28 E33 K34F6-T30 HydrophobicContact CE2-CG2 4.26Å; W13-T30 HydrophobicContact CH2-CG2 4.11Å; G26-T30 PolarHBondContact O-N 3.36Å; G26-T30 VanDerWaalsContact O-N 3.08Å; G26-T30 PolarHBondContact O-OG1 2.95Å; Q27-T30 PolarHBondContact O-N 2.72Å; V28-T30 PolarHBondContact O-N 2.83Å; T30-E33 PolarHBondContact O-N 2.84Å; T30-K34 WeakPolarHBondContact O-CG 3.36Å; T30-K34 PolarHBondContact O-N 2.95Å; T30-K34 VanDerWaalsContact O-N 3.1Å
31L98.8Very high98.7Very high0 Ų051.1 Ų51.10%026%0.26CS..Hα-helixtrans-61.5-49.5178.2-177.764.2000111.5L10 W13 L23 Q27 V28 K29 E33 K34 A35 T98 V101 A102 V105L10-L31 HydrophobicContact CD1-CD1 3.89Å; W13-L31 HydrophobicContact CE3-CD1 4.37Å; W13-L31 HydrophobicContact CZ3-CB 3.99Å; W13-L31 HydrophobicContact CZ3-CD1 4.27Å; L23-L31 HydrophobicContact CD1-CD2 4.21Å; Q27-L31 VanDerWaalsContact O-CB 3.28Å; Q27-L31 WeakPolarHBondContact O-CB 3.43Å; Q27-L31 PolarHBondContact O-N 3.07Å; V28-L31 WeakPolarHBondContact O-CB 3.4Å; V28-L31 PolarHBondContact O-N 3.02Å; K29-L31 VanDerWaalsContact C-N 3.3Å; K29-L31 PolarHBondContact O-N 2.96Å; L31-E33 PolarHBondContact O-N 2.83Å; L31-K34 PolarHBondContact O-N 2.82Å; L31-A35 WeakPolarHBondContact O-CB 3.45Å; L31-A35 PolarHBondContact O-N 2.96Å; L31-T98 HydrophobicContact CD2-CG2 3.75Å; L31-V101 HydrophobicContact CD1-CG1 4.38Å; L31-V101 HydrophobicContact CD2-CB 4.42Å; L31-V101 HydrophobicContact CD2-CG1 4.13Å; L31-V101 HydrophobicContact CG-CG1 3.91Å; L31-A102 HydrophobicContact CD1-CB 4.25Å; L31-A102 HydrophobicContact CD2-CB 4.21Å; L31-V105 HydrophobicContact CD1-CB 4.16Å; L31-V105 HydrophobicContact CD1-CG2 3.85Å
32C98.9Very high98.7Very high1 Ų146.9 Ų46.91%0.00724%0.242CC..Hα-helixtrans-62.6-42.2179.6-70.20000112.1V28 K29 K34 A35 K36 L149V28-C32 PolarHBondContact O-N 3.26Å; V28-C32 PolarHBondContact O-SG 2.9Å; V28-C32 VanDerWaalsContact O-SG 3.39Å; K29-C32 PolarHBondContact O-N 3.21Å; C32-K34 VanDerWaalsContact C-N 3.32Å; C32-K34 PolarHBondContact O-N 2.98Å; C32-A35 PolarHBondContact O-N 3.13Å; C32-K36 WeakPolarHBondContact O-CG 3.46Å; C32-K36 PolarHBondContact O-N 3.06Å; C32-L149 HydrophobicContact CB-CB 4.32Å; C32-L149 HydrophobicContact CB-CD2 4.3Å
33E98.8Very high98.7Very high88 Ų8846.4 Ų46.441%0.41125%0.245SC..Hα-helixtrans-63-40.4177.5-68-56.8121.800111.7K29 T30 L31 A35 K36 E37K29-E33 WeakPolarHBondContact O-CG 3.46Å; K29-E33 PolarHBondContact O-N 2.97Å; K29-E33 VanDerWaalsContact O-N 3.08Å; T30-E33 PolarHBondContact O-N 2.84Å; L31-E33 PolarHBondContact O-N 2.83Å; E33-A35 VanDerWaalsContact C-N 3.34Å; E33-A35 PolarHBondContact O-N 3.27Å; E33-K36 PolarHBondContact O-N 2.78Å; E33-K36 IonicContact OE1-NZ 3.74Å; E33-K36 PolarHBondContact OE1-NZ 2.92Å; E33-E37 WeakPolarHBondContact O-CG 3.48Å; E33-E37 PolarHBondContact O-N 2.91Å; E33-E37 VanDerWaalsContact O-N 3.16Å
34K98.6Very high98.7Very high62 Ų6246.7 Ų46.727%0.2725%0.247SC..Hα-helixtrans-66.1-36.2174.2-72.6-77.2161.3-129.80112.6F6 T30 L31 C32 E37 I38 V105F6-K34 HydrophobicContact CE1-CD 4.11Å; F6-K34 HydrophobicContact CE1-CG 4.16Å; F6-K34 HydrophobicContact CE2-CG 4.46Å; F6-K34 HydrophobicContact CZ-CB 4.31Å; F6-K34 HydrophobicContact CZ-CD 4.14Å; F6-K34 HydrophobicContact CZ-CG 3.72Å; T30-K34 WeakPolarHBondContact O-CG 3.36Å; T30-K34 PolarHBondContact O-N 2.95Å; T30-K34 VanDerWaalsContact O-N 3.1Å; L31-K34 PolarHBondContact O-N 2.82Å; C32-K34 VanDerWaalsContact C-N 3.32Å; C32-K34 PolarHBondContact O-N 2.98Å; K34-E37 IonicContact NZ-OE1 2.76Å; K34-E37 PolarHBondContact NZ-OE1 2.8Å; K34-E37 IonicContact NZ-OE2 3.67Å; K34-E37 PolarHBondContact NZ-OE2 3.31Å; K34-I38 WeakPolarHBondContact O-CD1 3.39Å; K34-I38 WeakPolarHBondContact O-CG1 3.14Å; K34-I38 PolarHBondContact O-N 2.92Å; K34-V105 HydrophobicContact CB-CG1 3.98Å; K34-V105 HydrophobicContact CB-CG2 4.43Å
35A98.8Very high98.7Very high0 Ų043.8 Ų43.80%023%0.226CC..Hα-helixtrans-67.4-41.5174.800000111.8L31 C32 E33 E37 I38 L39 V101 V105 L149L31-A35 WeakPolarHBondContact O-CB 3.45Å; L31-A35 PolarHBondContact O-N 2.96Å; C32-A35 PolarHBondContact O-N 3.13Å; E33-A35 VanDerWaalsContact C-N 3.34Å; E33-A35 PolarHBondContact O-N 3.27Å; A35-E37 VanDerWaalsContact C-N 3.34Å; A35-E37 PolarHBondContact O-N 2.74Å; A35-I38 WeakPolarHBondContact O-CB 3.33Å; A35-I38 PolarHBondContact O-N 3.47Å; A35-L39 WeakPolarHBondContact O-CB 3.44Å; A35-L39 WeakPolarHBondContact O-CG 3.27Å; A35-L39 PolarHBondContact O-N 2.99Å; A35-V101 HydrophobicContact CB-CG1 3.64Å; A35-V105 HydrophobicContact CB-CG2 3.71Å; A35-L149 HydrophobicContact CB-CD1 3.56Å; A35-L149 HydrophobicContact CB-CD2 4.07Å; A35-L149 HydrophobicContact CB-CG 4.49Å
36K98.8Very high98.7Very high28 Ų2843 Ų4312%0.12222%0.222CC..Hα-helixtrans-59-42.2174.7-70.2174.4-172.9167.30112.4C32 E33 I38 L39 T40 D148 L149 Y152C32-K36 WeakPolarHBondContact O-CG 3.46Å; C32-K36 PolarHBondContact O-N 3.06Å; E33-K36 PolarHBondContact O-N 2.78Å; E33-K36 IonicContact OE1-NZ 3.74Å; E33-K36 PolarHBondContact OE1-NZ 2.92Å; K36-I38 PolarHBondContact O-N 3.34Å; K36-L39 PolarHBondContact O-N 2.99Å; K36-T40 VanDerWaalsContact O-CB 3.3Å; K36-T40 WeakPolarHBondContact O-CB 3.24Å; K36-T40 WeakPolarHBondContact O-CG2 3.46Å; K36-T40 PolarHBondContact O-N 3.43Å; K36-D148 WeakPolarHBondContact CE-O 3Å; K36-L149 HydrophobicContact CG-CD1 3.78Å; K36-Y152 HydrophobicContact CB-CD1 4.36Å; K36-Y152 HydrophobicContact CB-CE1 4.38Å; K36-Y152 HydrophobicContact CB-CG 4.46Å; K36-Y152 HydrophobicContact CD-CD2 4.3Å; K36-Y152 HydrophobicContact CD-CE2 3.96Å; K36-Y152 HydrophobicContact CG-CD1 4.47Å; K36-Y152 HydrophobicContact CG-CD2 3.84Å; K36-Y152 HydrophobicContact CG-CE2 3.97Å; K36-Y152 HydrophobicContact CG-CG 4.12Å
37E98.4Very high98.7Very high94 Ų9444.9 Ų44.944%0.43922%0.219SC..Hα-helixtrans-57.4-29.1175.4-72172.3-162.300113.1E33 K34 A35 K41E33-E37 WeakPolarHBondContact O-CG 3.48Å; E33-E37 PolarHBondContact O-N 2.91Å; E33-E37 VanDerWaalsContact O-N 3.16Å; K34-E37 IonicContact NZ-OE1 2.76Å; K34-E37 PolarHBondContact NZ-OE1 2.8Å; K34-E37 IonicContact NZ-OE2 3.67Å; K34-E37 PolarHBondContact NZ-OE2 3.31Å; A35-E37 VanDerWaalsContact C-N 3.34Å; A35-E37 PolarHBondContact O-N 2.74Å; E37-K41 WeakPolarHBondContact O-CE 3.47Å
38I98.6Very high98.7Very high13 Ų1343.7 Ų43.77%0.06722%0.215CC..Hα-helixtrans-86.5-57179.3-63160.5000109.6K34 A35 K36 T40 K41 V105 R108K34-I38 WeakPolarHBondContact O-CD1 3.39Å; K34-I38 WeakPolarHBondContact O-CG1 3.14Å; K34-I38 PolarHBondContact O-N 2.92Å; A35-I38 WeakPolarHBondContact O-CB 3.33Å; A35-I38 PolarHBondContact O-N 3.47Å; K36-I38 PolarHBondContact O-N 3.34Å; I38-T40 VanDerWaalsContact C-N 3.25Å; I38-T40 PolarHBondContact O-N 2.83Å; I38-K41 WeakPolarHBondContact O-CB 3.49Å; I38-K41 PolarHBondContact O-N 2.92Å; I38-V105 HydrophobicContact CD1-CB 4.23Å; I38-V105 HydrophobicContact CD1-CG1 4.18Å; I38-V105 HydrophobicContact CD1-CG2 4.13Å; I38-R108 HydrophobicContact CD1-CG 3.96Å; I38-R108 HydrophobicContact CG1-CG 4.45Å; I38-R108 HydrophobicContact CG2-CG 4.24Å
39L98.7Very high98.7Very high0 Ų053.6 Ų53.60%025%0.252CS..Hα-helixtrans-64.5-26.9-173.1-65.6173.6000112.9A35 K36 K41 E42 K104 L149 L153 R185A35-L39 WeakPolarHBondContact O-CB 3.44Å; A35-L39 WeakPolarHBondContact O-CG 3.27Å; A35-L39 PolarHBondContact O-N 2.99Å; K36-L39 PolarHBondContact O-N 2.99Å; L39-K41 PolarHBondContact O-N 3.23Å; L39-E42 WeakPolarHBondContact CD2-OE2 3.22Å; L39-E42 WeakPolarHBondContact O-CB 3.19Å; L39-E42 PolarHBondContact O-N 2.97Å; L39-E42 VanDerWaalsContact O-N 3.08Å; L39-K104 HydrophobicContact CD2-CG 4.44Å; L39-L149 HydrophobicContact CD1-CD1 3.69Å; L39-L149 HydrophobicContact CD1-CG 4.47Å; L39-L153 HydrophobicContact CD1-CD2 3.92Å; L39-R185 PolarHBondContact O-NH2 3.38Å
40T98.5Very high98.6Very high74 Ų7449.8 Ų49.845%0.45424%0.239SC..THydrogen-bonded Turntrans-62.7-23.1174.2-157.40000113.1K36 I38K36-T40 VanDerWaalsContact O-CB 3.3Å; K36-T40 WeakPolarHBondContact O-CB 3.24Å; K36-T40 WeakPolarHBondContact O-CG2 3.46Å; K36-T40 PolarHBondContact O-N 3.43Å; I38-T40 VanDerWaalsContact C-N 3.25Å; I38-T40 PolarHBondContact O-N 2.83Å
41K98.5Very high98.6Very high174 Ų17449.2 Ų49.276%0.75724%0.236SC*.THydrogen-bonded Turntrans-88.6-10178.1-57177-174.8172.60112.7E37 I38 L39E37-K41 WeakPolarHBondContact O-CE 3.47Å; I38-K41 WeakPolarHBondContact O-CB 3.49Å; I38-K41 PolarHBondContact O-N 2.92Å; L39-K41 PolarHBondContact O-N 3.23Å
42E98.7Very high98.6Very high23 Ų2349.4 Ų49.411%0.10724%0.237CC..SBendtrans-84.8147.2179.7-68.7-174.5-175.800110.7L39 K104 P154 R185L39-E42 WeakPolarHBondContact CD2-OE2 3.22Å; L39-E42 WeakPolarHBondContact O-CB 3.19Å; L39-E42 PolarHBondContact O-N 2.97Å; L39-E42 VanDerWaalsContact O-N 3.08Å; E42-K104 WeakPolarHBondContact OE1-CE 3.4Å; E42-K104 IonicContact OE1-NZ 3.84Å; E42-K104 PolarHBondContact OE1-NZ 3.16Å; E42-K104 IonicContact OE2-NZ 3.21Å; E42-P154 HydrophobicContact CB-CG 3.86Å; E42-P154 WeakPolarHBondContact OE2-CG 3.38Å; E42-R185 PolarHBondContact O-NH1 2.78Å; E42-R185 VanDerWaalsContact O-NH1 3.09Å; E42-R185 PolarHBondContact O-NH2 2.91Å
43S98.7Very high98.6Very high46 Ų4649.6 Ų49.632%0.32224%0.238SC..  trans-81.6157.3-177.61680000110.6V45 Q46 P154S43-V45 WeakPolarHBondContact CB-O 3.39Å; S43-V45 PolarHBondContact O-N 2.95Å; S43-V45 PolarHBondContact OG-N 3.02Å; S43-V45 VanDerWaalsContact OG-N 3.09Å; S43-V45 PolarHBondContact OG-O 3.25Å; S43-Q46 VanDerWaalsContact N-OE1 3.14Å; S43-P154 WeakPolarHBondContact O-CB 3.48Å
44N98.9Very high98.6Very high8 Ų845.4 Ų45.44%0.04322%0.219CC..SBendtrans-62.3-28.9168.9-65.6-10.5000112.2T156 I180 L183 R185N44-T156 PolarHBondContact O-N 2.91Å; N44-T156 VanDerWaalsContact O-O 3.07Å; N44-T156 PolarHBondContact O-OG1 3.17Å; N44-I180 HydrophobicContact CB-CG2 4.16Å; N44-I180 WeakPolarHBondContact CB-O 3.4Å; N44-I180 PolarHBondContact ND2-O 2.84Å; N44-L183 PolarHBondContact ND2-O 3.17Å; N44-R185 WeakPolarHBondContact OD1-CD 3.28Å; N44-R185 VanDerWaalsContact OD1-CG 3.27Å; N44-R185 WeakPolarHBondContact OD1-CG 3.2Å; N44-R185 PolarHBondContact OD1-NH1 2.77Å
45V98.9Very high98.6Very high0 Ų042.5 Ų42.50%021%0.206CC..EExtended strand (participates in β ladder)trans-109.889168.3-173.80000106.2S43 E47 T156 L158 I180 R181S43-V45 WeakPolarHBondContact CB-O 3.39Å; S43-V45 PolarHBondContact O-N 2.95Å; S43-V45 PolarHBondContact OG-N 3.02Å; S43-V45 VanDerWaalsContact OG-N 3.09Å; S43-V45 PolarHBondContact OG-O 3.25Å; V45-E47 PolarHBondContact O-N 3.43Å; V45-T156 WeakPolarHBondContact CA-OG1 3.34Å; V45-L158 HydrophobicContact CG1-CB 3.86Å; V45-I180 HydrophobicContact CG2-CB 3.64Å; V45-I180 HydrophobicContact CG2-CG2 3.65Å; V45-R181 HydrophobicContact CB-CG 4.03Å; V45-R181 HydrophobicContact CG2-CG 3.7Å
46Q98.8Very high98.6Very high37 Ų3742.5 Ų42.517%0.17321%0.206CC..EExtended strand (participates in β ladder)trans-77.8117-175.1-179.652.746.100110.4S43 V48 T112 P154 T156 A157 L158S43-Q46 VanDerWaalsContact N-OE1 3.14Å; Q46-V48 HydrophobicContact CG-CG2 4.43Å; Q46-V48 PolarHBondContact O-N 3.05Å; Q46-T112 HydrophobicContact CG-CG2 4.12Å; Q46-P154 HydrophobicContact CB-CB 4.13Å; Q46-P154 HydrophobicContact CB-CG 4.34Å; Q46-T156 PolarHBondContact N-O 2.97Å; Q46-A157 HydrophobicContact CB-CB 4.45Å; Q46-A157 CarbonylContact O-C 3.57Å; Q46-A157 WeakPolarHBondContact O-CA 3.45Å; Q46-A157 WeakPolarHBondContact O-CB 3.4Å; Q46-L158 PolarHBondContact O-N 3.45Å
47E98.6Very high98.6Very high86 Ų8641.2 Ų41.240%0.40220%0.2SC..EExtended strand (participates in β ladder)trans-68.7132.5175.4-60.2-66.6156.100109.9V45 R181V45-E47 PolarHBondContact O-N 3.43Å; E47-R181 IonicContact OE1-NH2 3.74Å; E47-R181 PolarHBondContact OE1-NH2 2.82Å
48V98.6Very high98.6Very high17 Ų1736.8 Ų36.810%0.10318%0.18CC..EExtended strand (participates in β ladder)trans-132.5140.8178.8178.60000108.4Q46 V52 L81 T112 A157 L158 V159 D160Q46-V48 HydrophobicContact CG-CG2 4.43Å; Q46-V48 PolarHBondContact O-N 3.05Å; V48-V52 HydrophobicContact CG1-CB 4.41Å; V48-V52 HydrophobicContact CG1-CG1 4.37Å; V48-V52 HydrophobicContact CG1-CG2 4.17Å; V48-L81 HydrophobicContact CB-CD1 4.48Å; V48-L81 HydrophobicContact CG1-CD1 4.45Å; V48-L81 HydrophobicContact CG2-CD1 4.21Å; V48-T112 HydrophobicContact CG2-CG2 4.1Å; V48-T112 WeakPolarHBondContact CG2-OG1 3.43Å; V48-A157 HydrophobicContact CG2-CB 4.12Å; V48-L158 PolarHBondContact N-O 2.9Å; V48-V159 HydrophobicContact CB-CG2 4.24Å; V48-V159 HydrophobicContact CG1-CG2 4.44Å; V48-V159 CarbonylContact O-C 3.58Å; V48-V159 VanDerWaalsContact O-CA 3.28Å; V48-V159 WeakPolarHBondContact O-CA 3.37Å; V48-D160 PolarHBondContact O-N 2.84Å
49R97.9Very high98.6Very high208 Ų20836.3 Ų36.379%0.78518%0.177SC*.PPolyproline II helixtrans-100.2148.1177.8-66.3-175.5-177.9172.91.4111.4D160R49-D160 WeakPolarHBondContact CA-OD1 3.24Å
50C96.8Very high98.6Very high24 Ų2436.3 Ų36.316%0.16218%0.177CC..SBendtrans-72.8159.6165.281.30000110.9D160 D279 D280 L282C50-D160 WeakPolarHBondContact CB-OD2 3.43Å; C50-D160 PolarHBondContact N-OD1 2.95Å; C50-D160 PolarHBondContact SG-OD2 3.2Å; C50-D279 WeakPolarHBondContact CB-O 3.34Å; C50-D279 PolarHBondContact SG-O 2.9Å; C50-D280 VanDerWaalsContact SG-CA 3.58Å; C50-D280 PolarHBondContact SG-O 3.08Å; C50-D280 VanDerWaalsContact SG-O 3.36Å; C50-L282 HydrophobicContact CB-CD2 4.35Å
51P98.4Very high98.6Very high50 Ų5033 Ų3333%0.32516%0.156SC..SBendcis-74147.5-6.531.3-33.5000111.4N79 L278 D280P51-N79 WeakPolarHBondContact O-CB 3.48Å; P51-N79 PolarHBondContact O-ND2 3.46Å; P51-L278 CarbonylContact C-O 3.05Å; P51-L278 WeakPolarHBondContact CA-O 3.49Å; P51-L278 WeakPolarHBondContact CB-O 3.47Å; P51-D280 WeakPolarHBondContact CD-OD1 3.3Å
52V98.8Very high98.6Very high4 Ų424.8 Ų24.82%0.02412%0.121CC..EExtended strand (participates in β ladder)trans-153.9143.2179.766.60000111.8V48 V54 N79 L81 V159 L278V48-V52 HydrophobicContact CG1-CB 4.41Å; V48-V52 HydrophobicContact CG1-CG1 4.37Å; V48-V52 HydrophobicContact CG1-CG2 4.17Å; V52-V54 HydrophobicContact CG1-CG2 4.43Å; V52-N79 HydrophobicContact CB-CB 4.38Å; V52-N79 HydrophobicContact CG2-CB 4.24Å; V52-L81 HydrophobicContact CG2-CB 3.9Å; V52-V159 HydrophobicContact CG1-CG1 3.78Å; V52-V159 HydrophobicContact CG1-CG2 4.31Å; V52-L278 HydrophobicContact CG1-CB 4.23Å; V52-L278 HydrophobicContact CG1-CD1 3.94Å; V52-L278 PolarHBondContact N-O 2.52Å; V52-L278 WeakPolarHBondContact O-CB 3.36Å; V52-L278 PolarHBondContact O-N 3.35Å
53T98.9Very high98.6Very high6 Ų627.3 Ų27.34%0.03713%0.132CC..EExtended strand (participates in β ladder)trans-99.1117.2173.4-56.90000109.9T78 N79 Y80 L81 I275 M276 E277T53-T78 WeakPolarHBondContact OG1-CG2 3.24Å; T53-N79 PolarHBondContact N-O 3.08Å; T53-Y80 HydrophobicContact CG2-CD1 4.05Å; T53-Y80 HydrophobicContact CG2-CE1 3.59Å; T53-Y80 CarbonylContact O-C 3.47Å; T53-Y80 WeakPolarHBondContact O-CA 3.38Å; T53-L81 PolarHBondContact O-N 3.23Å; T53-I275 HydrophobicContact CG2-CB 3.97Å; T53-I275 HydrophobicContact CG2-CD1 3.83Å; T53-I275 HydrophobicContact CG2-CG1 4.15Å; T53-M276 CarbonylContact C-O 3.49Å; T53-M276 WeakPolarHBondContact CA-O 3.26Å; T53-E277 HydrophobicContact CG2-CG 4.13Å
54V98.9Very high98.5Very high0 Ų025.1 Ų25.10%012%0.117CC..EExtended strand (participates in β ladder)trans-92.1127.6-178.7-179.60000110.1V52 L81 M83 I259 M276 L278V52-V54 HydrophobicContact CG1-CG2 4.43Å; V54-L81 CarbonylContact C-O 3.55Å; V54-L81 WeakPolarHBondContact CA-O 3.46Å; V54-L81 HydrophobicContact CG1-CD2 4.33Å; V54-L81 HydrophobicContact CG2-CB 4.39Å; V54-M83 HydrophobicContact CG1-CE 3.69Å; V54-M83 HydrophobicContact CG1-CG 4.27Å; V54-M83 HydrophobicContact CG1-SD 3.85Å; V54-I259 HydrophobicContact CB-CD1 4.44Å; V54-I259 HydrophobicContact CG1-CD1 3.98Å; V54-M276 HydrophobicContact CB-CB 4.3Å; V54-M276 HydrophobicContact CB-CE 3.88Å; V54-M276 HydrophobicContact CG1-CE 4.19Å; V54-M276 HydrophobicContact CG2-CE 3.81Å; V54-M276 PolarHBondContact N-O 3.22Å; V54-M276 PolarHBondContact O-N 2.73Å; V54-L278 HydrophobicContact CG2-CD1 4.01Å
55C98.9Very high98.5Very high0 Ų024.9 Ų24.90%012%0.116CC..EExtended strand (participates in β ladder)trans-122.3141.8-176.8-55.10000110.5L68 Y80 L81 F82 M83 I275C55-L68 HydrophobicContact CB-CD1 4.29Å; C55-Y80 VanDerWaalsContact SG-CD1 3.58Å; C55-L81 PolarHBondContact N-O 2.92Å; C55-F82 HydrophobicContact CB-CD1 3.37Å; C55-F82 HydrophobicContact CB-CE1 3.53Å; C55-F82 HydrophobicContact CB-CG 3.9Å; C55-F82 HydrophobicContact CB-CZ 4.18Å; C55-M83 WeakPolarHBondContact O-CG 3.18Å; C55-M83 PolarHBondContact O-N 3.35Å; C55-I275 HydrophobicContact CB-CG2 4.35Å
56G98.8Very high98.5Very high0 Ų026.4 Ų26.40%012%0.124CC..  trans-91.9-146.617100000112.4I259 S261G56-I259 WeakPolarHBondContact CA-O 3.36Å; G56-S261 PolarHBondContact N-OG 2.85Å
57D98.9Very high98.5Very high1 Ų126.7 Ų26.71%0.00513%0.125CC..  trans-59.8143.1-175.1-51.142.2000112.5H59 D85 H167 A240 H241 F260 S261 A262D57-H59 IonicContact OD2-CD2 3.65Å; D57-H59 IonicContact OD2-NE2 2.69Å; D57-D85 HydrophobicContact CB-CB 4.11Å; D57-H167 IonicContact OD1-CE1 2.94Å; D57-H167 IonicContact OD2-CE1 3.68Å; D57-A240 VanDerWaalsContact OD1-CB 3.28Å; D57-A240 WeakPolarHBondContact OD1-CB 3.5Å; D57-H241 PolarHBondContact OD1-N 2.96Å; D57-H241 WeakPolarHBondContact OD2-CA 3.26Å; D57-F260 HydrophobicContact CB-CD2 3.93Å; D57-F260 HydrophobicContact CB-CE2 3.6Å; D57-F260 HydrophobicContact CB-CZ 4.07Å; D57-F260 VanDerWaalsContact CG-CE2 3.4Å; D57-F260 WeakPolarHBondContact OD2-CE2 3.2Å; D57-S261 CarbonylContact O-C 3.53Å; D57-S261 VanDerWaalsContact O-CA 3.25Å; D57-S261 WeakPolarHBondContact O-CA 3.2Å; D57-S261 VanDerWaalsContact O-CB 3.31Å; D57-S261 WeakPolarHBondContact O-CB 3.42Å; D57-S261 PolarHBondContact O-N 2.74Å; D57-A262 PolarHBondContact O-N 3.07Å
58V98.8Very high98.5Very high2 Ų222.6 Ų22.61%0.01211%0.106CC..  trans-122.5-36.4178.9-1760000112.3G60 Q61 L65 F82 D85 T96V58-G60 PolarHBondContact O-N 2.84Å; V58-Q61 WeakPolarHBondContact O-CB 3.49Å; V58-Q61 PolarHBondContact O-N 3.29Å; V58-Q61 VanDerWaalsContact O-N 3.12Å; V58-L65 HydrophobicContact CG1-CB 3.96Å; V58-L65 HydrophobicContact CG1-CD1 4.41Å; V58-F82 HydrophobicContact CG2-CD1 4.05Å; V58-F82 HydrophobicContact CG2-CE1 4.1Å; V58-D85 PolarHBondContact N-O 2.73Å; V58-T96 HydrophobicContact CB-CG2 4.35Å; V58-T96 HydrophobicContact CG1-CG2 3.61Å
59H98.6Very high98.5Very high3 Ų322.5 Ų22.51%0.01410%0.104CC..THydrogen-bonded Turntrans47.252.6171.7-76-60.7000115.4D57 Q61 D85 V87 D88 R89 G90 H118 Y265D57-H59 IonicContact OD2-CD2 3.65Å; D57-H59 IonicContact OD2-NE2 2.69Å; H59-Q61 PolarHBondContact O-N 3.44Å; H59-D85 IonicContact CE1-OD2 2.74Å; H59-D85 PolarHBondContact CE1-OD2 3.46Å; H59-D85 PolarHBondContact N-O 3.01Å; H59-D85 IonicContact NE2-OD2 3.31Å; H59-V87 PolarHBondContact ND1-O 3.13Å; H59-D88 CarbonylContact C-O 3.57Å; H59-D88 WeakPolarHBondContact CA-O 3.35Å; H59-D88 WeakPolarHBondContact CB-O 3.22Å; H59-R89 HydrophobicContact CB-CB 4.25Å; H59-R89 HydrophobicContact CB-CG 4.41Å; H59-G90 VanDerWaalsContact O-CA 3.23Å; H59-G90 WeakPolarHBondContact O-CA 3.31Å; H59-G90 PolarHBondContact O-N 2.76Å; H59-H118 AromaticContact CE1-CD2 3.52Å; H59-H118 AromaticContact CE1-CG 3.76Å; H59-H118 AromaticContact CE1-NE2 3.73Å; H59-Y265 HydrophobicContact CB-CD2 4.47Å; H59-Y265 HydrophobicContact CB-CE2 3.71Å; H59-Y265 AromaticContact CD2-CE2 3.12Å; H59-Y265 WeakPolarHBondContact CD2-CE2 3.19Å; H59-Y265 AromaticContact CD2-CZ 3.48Å; H59-Y265 VanDerWaalsContact CD2-CZ 3.48Å; H59-Y265 PolarHBondContact CD2-OH 3.39Å; H59-Y265 VanDerWaalsContact CD2-OH 3.23Å; H59-Y265 PolarHBondContact CE1-OH 3.29Å; H59-Y265 AromaticContact CG-CE2 3.57Å; H59-Y265 AromaticContact NE2-CE2 3.79Å; H59-Y265 AromaticContact NE2-CZ 3.62Å; H59-Y265 PolarHBondContact NE2-OH 3.11Å
60G98.3Very high98.5Very high0 Ų019.1 Ų19.10%010%0.095CC..THydrogen-bonded Turntrans60.614.7175.500000115V58 F62 Y86 Y92V58-G60 PolarHBondContact O-N 2.84Å; G60-F62 PolarHBondContact O-N 3.36Å; G60-Y86 PolarHBondContact N-O 3.39Å; G60-Y92 CarbonylContact O-C 3.53Å; G60-Y92 WeakPolarHBondContact O-CB 3.22Å; G60-Y92 PolarHBondContact O-N 2.97Å
61Q98.6Very high98.5Very high3 Ų320.7 Ų20.71%0.01410%0.101CC..  trans-82.763.9175-57.8-158.2158.500110.5V58 H59 H63 D64 L65 P263 Y267V58-Q61 WeakPolarHBondContact O-CB 3.49Å; V58-Q61 PolarHBondContact O-N 3.29Å; V58-Q61 VanDerWaalsContact O-N 3.12Å; H59-Q61 PolarHBondContact O-N 3.44Å; Q61-H63 VanDerWaalsContact C-N 3.31Å; Q61-H63 PolarHBondContact O-N 2.74Å; Q61-H63 VanDerWaalsContact O-N 3.16Å; Q61-D64 HydrophobicContact CB-CB 4.03Å; Q61-D64 WeakPolarHBondContact CB-OD2 3.39Å; Q61-D64 PolarHBondContact NE2-OD2 2.87Å; Q61-D64 VanDerWaalsContact NE2-OD2 3.14Å; Q61-D64 WeakPolarHBondContact O-CA 3.39Å; Q61-D64 WeakPolarHBondContact O-CB 3.04Å; Q61-D64 PolarHBondContact O-N 2.81Å; Q61-L65 PolarHBondContact O-N 3.43Å; Q61-P263 PolarHBondContact NE2-O 2.94Å; Q61-Y267 HydrophobicContact CG-CE1 3.84Å
62F98.6Very high98.4Very high3 Ų318.5 Ų18.51%0.0139%0.088CC..Hα-helixtrans-51.5-43.3-170.9-178.6-89.7000114.4L17 C20 G60 D64 L65 M66 Y92 E95 L99L17-F62 WeakPolarHBondContact O-CZ 3.38Å; C20-F62 HydrophobicContact CB-CD1 3.82Å; C20-F62 HydrophobicContact CB-CE1 3.56Å; C20-F62 HydrophobicContact CB-CZ 4.26Å; C20-F62 VanDerWaalsContact SG-CD1 3.55Å; G60-F62 PolarHBondContact O-N 3.36Å; F62-D64 VanDerWaalsContact C-N 3.26Å; F62-D64 PolarHBondContact O-N 2.88Å; F62-L65 WeakPolarHBondContact O-CB 3.43Å; F62-L65 PolarHBondContact O-N 3.49Å; F62-M66 HydrophobicContact CD1-CG 4.15Å; F62-M66 HydrophobicContact CE1-CE 4.27Å; F62-M66 HydrophobicContact CE1-CG 3.65Å; F62-M66 HydrophobicContact CE1-SD 4.06Å; F62-M66 HydrophobicContact CE2-CE 4.04Å; F62-M66 HydrophobicContact CZ-CE 3.78Å; F62-M66 HydrophobicContact CZ-CG 4.09Å; F62-M66 HydrophobicContact CZ-SD 3.91Å; F62-M66 WeakPolarHBondContact O-CG 3.38Å; F62-M66 PolarHBondContact O-N 3.16Å; F62-Y92 VanDerWaalsContact CB-CB 3.49Å; F62-Y92 HydrophobicContact CB-CD2 4.44Å; F62-Y92 HydrophobicContact CB-CG 4.12Å; F62-E95 HydrophobicContact CD2-CB 3.68Å; F62-E95 HydrophobicContact CE2-CB 3.95Å; F62-E95 HydrophobicContact CG-CB 4.32Å; F62-L99 HydrophobicContact CE2-CB 4.48Å; F62-L99 HydrophobicContact CE2-CD2 3.83Å; F62-L99 HydrophobicContact CZ-CD2 4.24Å
63H98.1Very high98.4Very high75 Ų7519.5 Ų19.535%0.34710%0.098SC..Hα-helixtrans-66.5-31.2179.5-62.6-54.5000112.8Q61 M66 E67 Y92 A292Q61-H63 VanDerWaalsContact C-N 3.31Å; Q61-H63 PolarHBondContact O-N 2.74Å; Q61-H63 VanDerWaalsContact O-N 3.16Å; H63-M66 WeakPolarHBondContact O-CB 3.45Å; H63-M66 PolarHBondContact O-N 3.48Å; H63-E67 PolarHBondContact O-N 3.2Å; H63-E67 VanDerWaalsContact O-N 3.16Å; H63-Y92 AromaticContact NE2-CE2 3.96Å; H63-A292 HydrophobicContact CB-CB 4.29Å; H63-A292 WeakPolarHBondContact O-CB 3.38Å
64D98.3Very high98.3Very high1 Ų126.1 Ų26.11%0.00513%0.127CC..Hα-helixtrans-77.5-31.4176.4-56.2-53.2000110.7Q61 F62 M66 E67 L68 P263 P291 A292 R294Q61-D64 HydrophobicContact CB-CB 4.03Å; Q61-D64 WeakPolarHBondContact CB-OD2 3.39Å; Q61-D64 PolarHBondContact NE2-OD2 2.87Å; Q61-D64 VanDerWaalsContact NE2-OD2 3.14Å; Q61-D64 WeakPolarHBondContact O-CA 3.39Å; Q61-D64 WeakPolarHBondContact O-CB 3.04Å; Q61-D64 PolarHBondContact O-N 2.81Å; F62-D64 VanDerWaalsContact C-N 3.26Å; F62-D64 PolarHBondContact O-N 2.88Å; D64-M66 VanDerWaalsContact C-N 3.31Å; D64-M66 PolarHBondContact O-N 2.89Å; D64-E67 WeakPolarHBondContact O-CB 3.37Å; D64-E67 PolarHBondContact O-N 2.89Å; D64-E67 VanDerWaalsContact O-N 3.16Å; D64-L68 PolarHBondContact O-N 2.99Å; D64-P263 HydrophobicContact CB-CG 3.75Å; D64-P291 WeakPolarHBondContact OD1-CA 3.34Å; D64-A292 PolarHBondContact OD1-N 3.06Å; D64-R294 IonicContact OD2-NH2 3.55Å; D64-R294 PolarHBondContact OD2-NH2 2.93Å; D64-R294 VanDerWaalsContact OD2-NH2 3.08Å
65L98.6Very high98.1Very high2 Ų227 Ų271%0.0113%0.133CC..Hα-helixtrans-61.4-38165.7176.564.9000111.9V58 Q61 F62 E67 L68 F69 F82 T96 L99 L100V58-L65 HydrophobicContact CG1-CB 3.96Å; V58-L65 HydrophobicContact CG1-CD1 4.41Å; Q61-L65 PolarHBondContact O-N 3.43Å; F62-L65 WeakPolarHBondContact O-CB 3.43Å; F62-L65 PolarHBondContact O-N 3.49Å; L65-E67 VanDerWaalsContact C-N 3.27Å; L65-E67 PolarHBondContact O-N 3.44Å; L65-L68 HydrophobicContact CD1-CD1 4.46Å; L65-L68 WeakPolarHBondContact O-CB 3.35Å; L65-L68 PolarHBondContact O-N 2.83Å; L65-F69 HydrophobicContact CD1-CD2 4.35Å; L65-F69 HydrophobicContact CD1-CE2 3.74Å; L65-F69 HydrophobicContact CD1-CZ 3.85Å; L65-F69 HydrophobicContact CD2-CE2 4.08Å; L65-F69 HydrophobicContact CG-CD2 4.2Å; L65-F69 HydrophobicContact CG-CE2 3.68Å; L65-F69 HydrophobicContact CG-CZ 4.28Å; L65-F69 WeakPolarHBondContact O-CD2 3.32Å; L65-F69 PolarHBondContact O-N 3.28Å; L65-F69 VanDerWaalsContact O-N 3.13Å; L65-F82 HydrophobicContact CD1-CE1 3.86Å; L65-F82 HydrophobicContact CD1-CZ 3.98Å; L65-T96 HydrophobicContact CD2-CG2 4.04Å; L65-L99 HydrophobicContact CD2-CD2 4.38Å; L65-L100 HydrophobicContact CD1-CD2 4.46Å; L65-L100 HydrophobicContact CD2-CD2 4.26Å; L65-L100 HydrophobicContact CD2-CG 4.3Å
66M98.4Very high98Very high33 Ų3329 Ų2916%0.16315%0.146CC..Hα-helixtrans-66.1-33.2174.6-65.5-59.597.700111.8F62 H63 D64 F69 K70 L99F62-M66 HydrophobicContact CD1-CG 4.15Å; F62-M66 HydrophobicContact CE1-CE 4.27Å; F62-M66 HydrophobicContact CE1-CG 3.65Å; F62-M66 HydrophobicContact CE1-SD 4.06Å; F62-M66 HydrophobicContact CE2-CE 4.04Å; F62-M66 HydrophobicContact CZ-CE 3.78Å; F62-M66 HydrophobicContact CZ-CG 4.09Å; F62-M66 HydrophobicContact CZ-SD 3.91Å; F62-M66 WeakPolarHBondContact O-CG 3.38Å; F62-M66 PolarHBondContact O-N 3.16Å; H63-M66 WeakPolarHBondContact O-CB 3.45Å; H63-M66 PolarHBondContact O-N 3.48Å; D64-M66 VanDerWaalsContact C-N 3.31Å; D64-M66 PolarHBondContact O-N 2.89Å; M66-F69 HydrophobicContact CE-CD2 3.67Å; M66-F69 HydrophobicContact CE-CE2 3.85Å; M66-K70 WeakPolarHBondContact O-CG 3.39Å; M66-K70 PolarHBondContact O-N 3.26Å; M66-L99 HydrophobicContact CE-CD2 3.37Å
67E98.3Very high97.9Very high42 Ų4235.8 Ų35.820%0.19618%0.182CC..Hα-helixtrans-67.9-43.1172.9-163.762.5-162.100111.4H63 D64 L65 F69 K70 I71 F289 A292H63-E67 PolarHBondContact O-N 3.2Å; H63-E67 VanDerWaalsContact O-N 3.16Å; D64-E67 WeakPolarHBondContact O-CB 3.37Å; D64-E67 PolarHBondContact O-N 2.89Å; D64-E67 VanDerWaalsContact O-N 3.16Å; L65-E67 VanDerWaalsContact C-N 3.27Å; L65-E67 PolarHBondContact O-N 3.44Å; E67-F69 VanDerWaalsContact C-N 3.28Å; E67-F69 PolarHBondContact O-N 3.45Å; E67-K70 WeakPolarHBondContact O-CA 3.26Å; E67-K70 WeakPolarHBondContact O-CB 3.46Å; E67-K70 PolarHBondContact O-N 2.93Å; E67-K70 WeakPolarHBondContact OE2-CD 3.44Å; E67-K70 IonicContact OE2-NZ 2.72Å; E67-K70 PolarHBondContact OE2-NZ 3.44Å; E67-I71 HydrophobicContact CG-CD1 4.17Å; E67-I71 WeakPolarHBondContact O-CG1 3.29Å; E67-I71 PolarHBondContact O-N 3.14Å; E67-I71 VanDerWaalsContact O-N 3.09Å; E67-F289 HydrophobicContact CG-CD2 4.3Å; E67-A292 HydrophobicContact CB-CB 4.17Å
68L98.6Very high97.9Very high1 Ų137.4 Ų37.41%0.00519%0.192CC..Hα-helixtrans-51.8-45.5173.1-176.2160.3000111.8C55 D64 L65 K70 I71 G72 Y80 F82 I275 F289C55-L68 HydrophobicContact CB-CD1 4.29Å; D64-L68 PolarHBondContact O-N 2.99Å; L65-L68 HydrophobicContact CD1-CD1 4.46Å; L65-L68 WeakPolarHBondContact O-CB 3.35Å; L65-L68 PolarHBondContact O-N 2.83Å; L68-K70 VanDerWaalsContact C-N 3.34Å; L68-K70 PolarHBondContact O-N 3.02Å; L68-I71 PolarHBondContact O-N 3.44Å; L68-G72 PolarHBondContact O-N 3.36Å; L68-Y80 HydrophobicContact CD2-CE1 3.68Å; L68-F82 HydrophobicContact CD1-CE1 4.21Å; L68-F82 HydrophobicContact CD2-CZ 4.19Å; L68-I275 HydrophobicContact CD1-CG2 3.65Å; L68-I275 HydrophobicContact CD2-CG2 4.32Å; L68-I275 HydrophobicContact CG-CG2 3.71Å; L68-F289 HydrophobicContact CB-CE2 4.45Å; L68-F289 HydrophobicContact CB-CZ 3.97Å; L68-F289 HydrophobicContact CD1-CZ 4.27Å; L68-F289 HydrophobicContact CG-CZ 4.34Å
69F98.4Very high97.9Very high14 Ų1438.7 Ų38.76%0.06120%0.199CC..Hα-helixtrans-71.7-21.3176.4-67.5-47.2000114.6L65 M66 E67 I71 G73 Y80 F82 L99 L100 L103L65-F69 HydrophobicContact CD1-CD2 4.35Å; L65-F69 HydrophobicContact CD1-CE2 3.74Å; L65-F69 HydrophobicContact CD1-CZ 3.85Å; L65-F69 HydrophobicContact CD2-CE2 4.08Å; L65-F69 HydrophobicContact CG-CD2 4.2Å; L65-F69 HydrophobicContact CG-CE2 3.68Å; L65-F69 HydrophobicContact CG-CZ 4.28Å; L65-F69 WeakPolarHBondContact O-CD2 3.32Å; L65-F69 PolarHBondContact O-N 3.28Å; L65-F69 VanDerWaalsContact O-N 3.13Å; M66-F69 HydrophobicContact CE-CD2 3.67Å; M66-F69 HydrophobicContact CE-CE2 3.85Å; E67-F69 VanDerWaalsContact C-N 3.28Å; E67-F69 PolarHBondContact O-N 3.45Å; F69-I71 VanDerWaalsContact C-N 3.31Å; F69-G73 CarbonylContact O-C 3.45Å; F69-G73 VanDerWaalsContact O-CA 3.23Å; F69-G73 WeakPolarHBondContact O-CA 3.36Å; F69-G73 PolarHBondContact O-N 3.48Å; F69-G73 VanDerWaalsContact O-O 3.07Å; F69-Y80 HydrophobicContact CD1-CE1 4.47Å; F69-Y80 AromaticContact CD1-CE2 3.85Å; F69-Y80 HydrophobicContact CD1-CE2 3.85Å; F69-Y80 AromaticContact CD1-CZ 3.78Å; F69-Y80 HydrophobicContact CE1-CD2 4.2Å; F69-Y80 HydrophobicContact CE1-CE1 4.42Å; F69-Y80 AromaticContact CE1-CE2 3.9Å; F69-Y80 HydrophobicContact CE1-CE2 3.9Å; F69-F82 HydrophobicContact CE1-CE2 4.45Å; F69-F82 HydrophobicContact CE1-CZ 4.06Å; F69-F82 HydrophobicContact CZ-CZ 4.12Å; F69-L99 HydrophobicContact CE2-CD2 4.32Å; F69-L100 HydrophobicContact CZ-CD2 4.2Å; F69-L103 HydrophobicContact CE2-CD1 4.48Å; F69-L103 HydrophobicContact CZ-CD1 4.03Å
70K97.6Very high97.9Very high138 Ų13838.6 Ų38.660%0.620%0.198SC*.Hα-helixtrans-73-30.6169.9-68.3175.8-155.1156.40111.5M66 E67 L68M66-K70 WeakPolarHBondContact O-CG 3.39Å; M66-K70 PolarHBondContact O-N 3.26Å; E67-K70 WeakPolarHBondContact O-CA 3.26Å; E67-K70 WeakPolarHBondContact O-CB 3.46Å; E67-K70 PolarHBondContact O-N 2.93Å; E67-K70 WeakPolarHBondContact OE2-CD 3.44Å; E67-K70 IonicContact OE2-NZ 2.72Å; E67-K70 PolarHBondContact OE2-NZ 3.44Å; L68-K70 VanDerWaalsContact C-N 3.34Å; L68-K70 PolarHBondContact O-N 3.02Å
71I97.3Very high97.9Very high57 Ų5738.6 Ų38.629%0.29220%0.198SC..Hα-helixtrans-86.3-53.6-174.8-64.4177.2000111.1E67 L68 F69 G73 I275 L287 F289E67-I71 HydrophobicContact CG-CD1 4.17Å; E67-I71 WeakPolarHBondContact O-CG1 3.29Å; E67-I71 PolarHBondContact O-N 3.14Å; E67-I71 VanDerWaalsContact O-N 3.09Å; L68-I71 PolarHBondContact O-N 3.44Å; F69-I71 VanDerWaalsContact C-N 3.31Å; I71-G73 VanDerWaalsContact C-N 3.33Å; I71-I275 HydrophobicContact CG2-CD1 4.17Å; I71-L287 HydrophobicContact CG2-CB 3.85Å; I71-L287 HydrophobicContact CG2-CD1 3.81Å; I71-L287 HydrophobicContact CG2-CG 4.47Å; I71-F289 HydrophobicContact CD1-CB 3.12Å; I71-F289 HydrophobicContact CD1-CD1 4.15Å; I71-F289 HydrophobicContact CD1-CD2 4.25Å; I71-F289 HydrophobicContact CD1-CG 3.63Å
72G97.6Very high98Very high4 Ų438.4 Ų38.44%0.04120%0.198CC..SBendtrans-83-6.6178.300000114.5L68 T78 Y80L68-G72 PolarHBondContact O-N 3.36Å; G72-T78 WeakPolarHBondContact O-CB 3.36Å; G72-T78 VanDerWaalsContact O-CG2 3.3Å; G72-T78 WeakPolarHBondContact O-CG2 3.46Å; G72-T78 PolarHBondContact O-OG1 3.39Å; G72-Y80 WeakPolarHBondContact CA-OH 3.09Å; G72-Y80 PolarHBondContact O-OH 2.92Å
73G97.9Very high98Very high24 Ų2438.3 Ų38.325%0.24720%0.197CC..  trans91.6167.5-175.100000113.8F69 I71 Y80F69-G73 CarbonylContact O-C 3.45Å; F69-G73 VanDerWaalsContact O-CA 3.23Å; F69-G73 WeakPolarHBondContact O-CA 3.36Å; F69-G73 PolarHBondContact O-N 3.48Å; F69-G73 VanDerWaalsContact O-O 3.07Å; I71-G73 VanDerWaalsContact C-N 3.33Å; G73-Y80 WeakPolarHBondContact O-CE2 3.36Å; G73-Y80 PolarHBondContact O-OH 3Å
74K96.2Very high98Very high146 Ų14634.7 Ų34.764%0.63518%0.18SC*.  trans-90.3142.6-175.6-66.9-176.1178.5-176.70111D77 T78K74-D77 WeakPolarHBondContact O-CA 3.35Å; K74-D77 WeakPolarHBondContact O-CB 3.43Å; K74-D77 PolarHBondContact O-N 2.56Å; K74-T78 PolarHBondContact O-N 2.93Å
75S94.6Very high98Very high18 Ų1834.8 Ų34.813%0.12618%0.181CC..THydrogen-bonded Turntrans-70.3138.9163-166.70000109.4
76P97.6Very high98.1Very high43 Ų4334.9 Ų34.928%0.27918%0.181SC..THydrogen-bonded Turncis-92.76.69.737.9-37.3000115.8F107 R110P76-F107 HydrophobicContact CB-CB 4.39Å; P76-F107 HydrophobicContact CB-CD1 3.66Å; P76-F107 HydrophobicContact CB-CD2 4.2Å; P76-F107 HydrophobicContact CB-CE1 3.84Å; P76-F107 HydrophobicContact CB-CE2 4.37Å; P76-F107 HydrophobicContact CB-CG 3.85Å; P76-F107 HydrophobicContact CB-CZ 4.21Å; P76-F107 HydrophobicContact CG-CD1 4.01Å; P76-F107 HydrophobicContact CG-CE1 3.63Å; P76-F107 HydrophobicContact CG-CE2 4.34Å; P76-F107 HydrophobicContact CG-CG 4.5Å; P76-F107 HydrophobicContact CG-CZ 3.83Å; P76-R110 HydrophobicContact CB-CB 4.41Å; P76-R110 HydrophobicContact CB-CG 3.89Å
77D97.6Very high98.1Very high142 Ų14233.3 Ų33.376%0.75917%0.173SC*.THydrogen-bonded Turntrans-68.9-37.5-177.2-58.3-38.6000111.4K74K74-D77 WeakPolarHBondContact O-CA 3.35Å; K74-D77 WeakPolarHBondContact O-CB 3.43Å; K74-D77 PolarHBondContact O-N 2.56Å
78T98.1Very high98.1Very high34 Ų3431.3 Ų31.321%0.20916%0.164CC..SBendtrans-105137.3169.9-52.90000110.9T53 G72 K74 Y80T53-T78 WeakPolarHBondContact OG1-CG2 3.24Å; G72-T78 WeakPolarHBondContact O-CB 3.36Å; G72-T78 VanDerWaalsContact O-CG2 3.3Å; G72-T78 WeakPolarHBondContact O-CG2 3.46Å; G72-T78 PolarHBondContact O-OG1 3.39Å; K74-T78 PolarHBondContact O-N 2.93Å; T78-Y80 HydrophobicContact CG2-CD2 4.42Å; T78-Y80 HydrophobicContact CG2-CE2 3.97Å
79N98.8Very high97.9Very high29 Ų2934.6 Ų34.616%0.15518%0.176CC..  trans-82.8141.5172.3-56.6-42.6000110.5P51 V52 T53 R110P51-N79 WeakPolarHBondContact O-CB 3.48Å; P51-N79 PolarHBondContact O-ND2 3.46Å; V52-N79 HydrophobicContact CB-CB 4.38Å; V52-N79 HydrophobicContact CG2-CB 4.24Å; T53-N79 PolarHBondContact N-O 3.08Å; N79-R110 CarbonylContact C-O 3.12Å; N79-R110 VanDerWaalsContact CA-O 3.24Å; N79-R110 WeakPolarHBondContact CA-O 3.46Å; N79-R110 WeakPolarHBondContact OD1-CD 3.4Å; N79-R110 PolarHBondContact OD1-NH1 3.49Å
80Y98.9Very high97.8Very high1 Ų134.3 Ų34.30%0.00418%0.177CC..EExtended strand (participates in β ladder)trans-127.1146.7-176.4-82.4-79.9000113.5T53 C55 L68 F69 G72 G73 T78 F82 R110 I111 T112T53-Y80 HydrophobicContact CG2-CD1 4.05Å; T53-Y80 HydrophobicContact CG2-CE1 3.59Å; T53-Y80 CarbonylContact O-C 3.47Å; T53-Y80 WeakPolarHBondContact O-CA 3.38Å; C55-Y80 VanDerWaalsContact SG-CD1 3.58Å; L68-Y80 HydrophobicContact CD2-CE1 3.68Å; F69-Y80 HydrophobicContact CD1-CE1 4.47Å; F69-Y80 AromaticContact CD1-CE2 3.85Å; F69-Y80 HydrophobicContact CD1-CE2 3.85Å; F69-Y80 AromaticContact CD1-CZ 3.78Å; F69-Y80 HydrophobicContact CE1-CD2 4.2Å; F69-Y80 HydrophobicContact CE1-CE1 4.42Å; F69-Y80 AromaticContact CE1-CE2 3.9Å; F69-Y80 HydrophobicContact CE1-CE2 3.9Å; G72-Y80 WeakPolarHBondContact CA-OH 3.09Å; G72-Y80 PolarHBondContact O-OH 2.92Å; G73-Y80 WeakPolarHBondContact O-CE2 3.36Å; G73-Y80 PolarHBondContact O-OH 3Å; T78-Y80 HydrophobicContact CG2-CD2 4.42Å; T78-Y80 HydrophobicContact CG2-CE2 3.97Å; Y80-F82 AromaticContact CD1-CE2 3.87Å; Y80-F82 HydrophobicContact CD1-CE2 3.87Å; Y80-F82 HydrophobicContact CD1-CZ 4.13Å; Y80-F82 AromaticContact CG-CE2 3.93Å; Y80-F82 HydrophobicContact CG-CE2 3.93Å; Y80-R110 PolarHBondContact N-O 3.18Å; Y80-I111 CarbonylContact O-C 3.57Å; Y80-I111 VanDerWaalsContact O-CA 3.29Å; Y80-I111 WeakPolarHBondContact O-CA 3.49Å; Y80-T112 PolarHBondContact O-N 3.44Å
81L98.9Very high97.7Very high0 Ų034.5 Ų34.50%018%0.175CC..EExtended strand (participates in β ladder)trans-129.8110.8167.6-174.7170.6000108V48 V52 T53 V54 C55 M83 T112 L114 A157 V159 C165V48-L81 HydrophobicContact CB-CD1 4.48Å; V48-L81 HydrophobicContact CG1-CD1 4.45Å; V48-L81 HydrophobicContact CG2-CD1 4.21Å; V52-L81 HydrophobicContact CG2-CB 3.9Å; T53-L81 PolarHBondContact O-N 3.23Å; V54-L81 CarbonylContact C-O 3.55Å; V54-L81 WeakPolarHBondContact CA-O 3.46Å; V54-L81 HydrophobicContact CG1-CD2 4.33Å; V54-L81 HydrophobicContact CG2-CB 4.39Å; C55-L81 PolarHBondContact N-O 2.92Å; L81-M83 HydrophobicContact CD2-CG 3.68Å; L81-T112 WeakPolarHBondContact CA-O 3.28Å; L81-T112 HydrophobicContact CG-CG2 4.38Å; L81-L114 HydrophobicContact CD2-CD1 4.06Å; L81-L114 HydrophobicContact CD2-CG 4.4Å; L81-A157 HydrophobicContact CD1-CB 3.75Å; L81-A157 HydrophobicContact CG-CB 4.4Å; L81-V159 HydrophobicContact CD1-CG2 3.7Å; L81-C165 HydrophobicContact CD1-CB 4.08Å; L81-C165 HydrophobicContact CD2-CB 4.05Å
82F98.9Very high97.7Very high0 Ų035.6 Ų35.60%018%0.176CC..EExtended strand (participates in β ladder)trans-98.9134.5173.4-68.7-101000110.9C55 V58 L65 L68 F69 Y80 Y86 L100 I111 T112 I113 L114C55-F82 HydrophobicContact CB-CD1 3.37Å; C55-F82 HydrophobicContact CB-CE1 3.53Å; C55-F82 HydrophobicContact CB-CG 3.9Å; C55-F82 HydrophobicContact CB-CZ 4.18Å; V58-F82 HydrophobicContact CG2-CD1 4.05Å; V58-F82 HydrophobicContact CG2-CE1 4.1Å; L65-F82 HydrophobicContact CD1-CE1 3.86Å; L65-F82 HydrophobicContact CD1-CZ 3.98Å; L68-F82 HydrophobicContact CD1-CE1 4.21Å; L68-F82 HydrophobicContact CD2-CZ 4.19Å; F69-F82 HydrophobicContact CE1-CE2 4.45Å; F69-F82 HydrophobicContact CE1-CZ 4.06Å; F69-F82 HydrophobicContact CZ-CZ 4.12Å; Y80-F82 AromaticContact CD1-CE2 3.87Å; Y80-F82 HydrophobicContact CD1-CE2 3.87Å; Y80-F82 HydrophobicContact CD1-CZ 4.13Å; Y80-F82 AromaticContact CG-CE2 3.93Å; Y80-F82 HydrophobicContact CG-CE2 3.93Å; F82-Y86 HydrophobicContact CB-CE1 3.65Å; F82-Y86 HydrophobicContact CG-CE1 4.34Å; F82-Y86 PolarHBondContact O-OH 3.44Å; F82-L100 HydrophobicContact CD2-CD2 4.22Å; F82-L100 HydrophobicContact CE1-CD2 4.26Å; F82-L100 HydrophobicContact CE2-CD2 3.83Å; F82-L100 HydrophobicContact CZ-CD2 3.87Å; F82-I111 HydrophobicContact CD2-CD1 4Å; F82-I111 HydrophobicContact CD2-CG1 4.18Å; F82-I111 HydrophobicContact CE2-CD1 3.86Å; F82-I111 HydrophobicContact CE2-CG1 4.36Å; F82-T112 PolarHBondContact N-O 3.28Å; F82-I113 HydrophobicContact CB-CG2 4.45Å; F82-L114 WeakPolarHBondContact O-CB 3.28Å; F82-L114 PolarHBondContact O-N 3.1Å
83M98.9Very high97.8Very high0 Ų035.4 Ų35.40%017%0.174CC..  trans-89.7-0.1-171.6-66.5-174.3-71.200114.9V54 C55 L81 L114 C165 H167 R239 A240 I259V54-M83 HydrophobicContact CG1-CE 3.69Å; V54-M83 HydrophobicContact CG1-CG 4.27Å; V54-M83 HydrophobicContact CG1-SD 3.85Å; C55-M83 WeakPolarHBondContact O-CG 3.18Å; C55-M83 PolarHBondContact O-N 3.35Å; L81-M83 HydrophobicContact CD2-CG 3.68Å; M83-L114 HydrophobicContact CG-CD1 4.44Å; M83-C165 HydrophobicContact SD-CB 4.26Å; M83-H167 WeakPolarHBondContact O-CA 3.31Å; M83-H167 WeakPolarHBondContact O-CB 3.43Å; M83-H167 PolarHBondContact O-ND1 2.88Å; M83-R239 WeakPolarHBondContact CE-O 3.3Å; M83-A240 HydrophobicContact CB-CB 3.83Å; M83-A240 HydrophobicContact CE-CB 4.03Å; M83-I259 HydrophobicContact CE-CB 3.95Å; M83-I259 HydrophobicContact CE-CD1 4.07Å; M83-I259 HydrophobicContact CE-CG1 4.44Å
84G98.8Very high97.8Very high0 Ų034.2 Ų34.20%016%0.162CC..SBendtrans125.1-170.5177.900000113.1
85D98.8Very high98Very high2 Ų227.7 Ų27.71%0.01113%0.134CC..  trans54.758.6176.8-76.711000112.5D57 V58 H59 G116 N117 H118 E119 H167D57-D85 HydrophobicContact CB-CB 4.11Å; V58-D85 PolarHBondContact N-O 2.73Å; H59-D85 IonicContact CE1-OD2 2.74Å; H59-D85 PolarHBondContact CE1-OD2 3.46Å; H59-D85 PolarHBondContact N-O 3.01Å; H59-D85 IonicContact NE2-OD2 3.31Å; D85-G116 WeakPolarHBondContact OD1-CA 3.47Å; D85-N117 PolarHBondContact OD1-N 2.98Å; D85-N117 PolarHBondContact OD1-OD1 2.67Å; D85-N117 PolarHBondContact OD2-OD1 3Å; D85-H118 WeakPolarHBondContact OD1-CB 3.5Å; D85-H118 IonicContact OD1-CD2 3.49Å; D85-H118 IonicContact OD1-CG 2.94Å; D85-H118 PolarHBondContact OD1-N 2.93Å; D85-H118 IonicContact OD2-CD2 3.62Å; D85-H118 PolarHBondContact OD2-CD2 2.9Å; D85-H118 VanDerWaalsContact OD2-CD2 3.28Å; D85-E119 PolarHBondContact N-OE2 3.12Å; D85-H167 IonicContact OD1-CD2 3.18Å; D85-H167 IonicContact OD1-CE1 2.75Å; D85-H167 IonicContact OD1-NE2 2.63Å; D85-H167 PolarHBondContact OD1-NE2 2.91Å; D85-H167 VanDerWaalsContact OD1-NE2 3.14Å; D85-H167 IonicContact OD2-CE1 2.81Å; D85-H167 PolarHBondContact OD2-CE1 2.84Å; D85-H167 IonicContact OD2-NE2 3.57Å; D85-H167 PolarHBondContact OD2-NE2 3.19Å
86Y98.9Very high98.2Very high4 Ų426.8 Ų26.82%0.01613%0.128CC..  trans-79.8-31.3177.6-48.4-59.9000112.2G60 F82 T96 L100 I113 L114 E119 L153G60-Y86 PolarHBondContact N-O 3.39Å; F82-Y86 HydrophobicContact CB-CE1 3.65Å; F82-Y86 HydrophobicContact CG-CE1 4.34Å; F82-Y86 PolarHBondContact O-OH 3.44Å; Y86-T96 WeakPolarHBondContact O-CG2 3.26Å; Y86-L100 HydrophobicContact CD1-CD1 3.29Å; Y86-L100 HydrophobicContact CE1-CD1 3.76Å; Y86-L100 HydrophobicContact CG-CD1 4.05Å; Y86-I113 HydrophobicContact CE1-CG2 4.42Å; Y86-I113 HydrophobicContact CE2-CB 4.49Å; Y86-I113 VanDerWaalsContact OH-C 3.31Å; Y86-I113 VanDerWaalsContact OH-CA 3.28Å; Y86-I113 WeakPolarHBondContact OH-CA 3.49Å; Y86-I113 WeakPolarHBondContact OH-CB 3.4Å; Y86-L114 VanDerWaalsContact CE2-O 3.24Å; Y86-L114 WeakPolarHBondContact CE2-O 3.47Å; Y86-L114 VanDerWaalsContact CZ-O 3.29Å; Y86-L114 PolarHBondContact OH-N 3.36Å; Y86-L114 PolarHBondContact OH-O 3.42Å; Y86-E119 VanDerWaalsContact CD2-CD 3.48Å; Y86-E119 HydrophobicContact CD2-CG 3.87Å; Y86-E119 VanDerWaalsContact CD2-OE1 3.27Å; Y86-E119 WeakPolarHBondContact CD2-OE1 3.46Å; Y86-E119 HydrophobicContact CE2-CG 4.25Å; Y86-E119 PolarHBondContact N-OE1 3.39Å; Y86-L153 HydrophobicContact CE2-CD1 4.26Å
87V98.8Very high98.2Very high0 Ų024.9 Ų24.90%012%0.115CC..SBendtrans-111.8178.1-169.5-58.80000112.4H59 V97 H118 T124 F129 F150H59-V87 PolarHBondContact ND1-O 3.13Å; V87-V97 HydrophobicContact CG1-CB 3.78Å; V87-V97 HydrophobicContact CG1-CG1 4Å; V87-V97 HydrophobicContact CG1-CG2 4.14Å; V87-H118 HydrophobicContact CG2-CB 4.35Å; V87-T124 HydrophobicContact CG2-CG2 3.81Å; V87-F129 HydrophobicContact CB-CB 4.05Å; V87-F129 HydrophobicContact CB-CD1 4.3Å; V87-F129 HydrophobicContact CB-CD2 3.99Å; V87-F129 HydrophobicContact CB-CE2 4.48Å; V87-F129 HydrophobicContact CB-CG 3.86Å; V87-F129 HydrophobicContact CG1-CD1 4.29Å; V87-F129 HydrophobicContact CG1-CD2 3.91Å; V87-F129 HydrophobicContact CG1-CE1 4.29Å; V87-F129 HydrophobicContact CG1-CE2 3.9Å; V87-F129 HydrophobicContact CG1-CG 4.09Å; V87-F129 HydrophobicContact CG1-CZ 4.09Å; V87-F129 HydrophobicContact CG2-CB 4.27Å; V87-F129 HydrophobicContact CG2-CD1 4.3Å; V87-F129 HydrophobicContact CG2-CG 4.23Å; V87-F150 HydrophobicContact CG1-CZ 4.13Å; V87-F150 HydrophobicContact CG2-CE2 4.48Å; V87-F150 HydrophobicContact CG2-CZ 4.49Å
88D98.4Very high98.3Very high0 Ų018.1 Ų18.10%08%0.079CC..SBendtrans66.7165.9-177.2-66.4-39.1000114.6H59 G90 S93 H118 Y127 G128 F129H59-D88 CarbonylContact C-O 3.57Å; H59-D88 WeakPolarHBondContact CA-O 3.35Å; H59-D88 WeakPolarHBondContact CB-O 3.22Å; D88-G90 PolarHBondContact O-N 3.19Å; D88-S93 PolarHBondContact N-OG 3Å; D88-S93 VanDerWaalsContact N-OG 3.08Å; D88-H118 WeakPolarHBondContact CB-ND1 3.48Å; D88-H118 IonicContact OD2-CE1 2.84Å; D88-H118 IonicContact OD2-CG 2.82Å; D88-H118 IonicContact OD2-ND1 3.51Å; D88-H118 PolarHBondContact OD2-ND1 2.85Å; D88-Y127 WeakPolarHBondContact CB-O 3.47Å; D88-G128 PolarHBondContact OD1-N 2.77Å; D88-G128 VanDerWaalsContact OD1-N 3.15Å; D88-F129 WeakPolarHBondContact OD1-CB 3.35Å; D88-F129 PolarHBondContact OD1-N 2.83Å
89R95.6Very high98.4Very high70 Ų7016.5 Ų16.526%0.2647%0.069SC..SBendtrans66.5-53178.7-45.2-65.1-171.5165.1-1.6115.6H59 Y127 Y265H59-R89 HydrophobicContact CB-CB 4.25Å; H59-R89 HydrophobicContact CB-CG 4.41Å; R89-Y127 PolarHBondContact N-O 3.05Å; R89-Y127 VanDerWaalsContact N-O 3.09Å; R89-Y265 HydrophobicContact CB-CE2 4.29Å; R89-Y265 HydrophobicContact CG-CE2 4.11Å; R89-Y265 WeakPolarHBondContact CG-OH 3.13Å
90G95.2Very high98.4Very high8 Ų815.2 Ų15.28%0.0826%0.062CC..SBendtrans-76.7168.5177.900000113.1H59 D88 Y267H59-G90 VanDerWaalsContact O-CA 3.23Å; H59-G90 WeakPolarHBondContact O-CA 3.31Å; H59-G90 PolarHBondContact O-N 2.76Å; D88-G90 PolarHBondContact O-N 3.19Å; G90-Y267 VanDerWaalsContact CA-OH 3.25Å; G90-Y267 WeakPolarHBondContact CA-OH 3.25Å
91Y95.9Very high98.4Very high143 Ų14315.3 Ų15.356%0.5616%0.063SC*.SBendtrans-86.8-8.8-177.5-60.9-56.3000114.8K136 Y267Y91-K136 PolarHBondContact O-NZ 3.33Å; Y91-Y267 HydrophobicContact CD2-CD2 4.19Å; Y91-Y267 AromaticContact CD2-CE2 3.32Å; Y91-Y267 HydrophobicContact CD2-CE2 3.32Å; Y91-Y267 AromaticContact CD2-CZ 3.84Å; Y91-Y267 AromaticContact CE2-CD2 3.6Å; Y91-Y267 HydrophobicContact CE2-CD2 3.6Å; Y91-Y267 AromaticContact CE2-CE2 3.19Å; Y91-Y267 HydrophobicContact CE2-CE2 3.19Å; Y91-Y267 HydrophobicContact CG-CE2 4.13Å; Y91-Y267 AromaticContact CZ-CE2 3.9Å; Y91-Y267 PolarHBondContact N-OH 3.48Å; Y91-Y267 VanDerWaalsContact N-OH 3.14Å
92Y98.4Very high98.4Very high79 Ų7915.3 Ų15.331%0.316%0.063SC..  trans-130.738.2-169.6-55.1-81.9000112G60 F62 H63 V94 E95 T96G60-Y92 CarbonylContact O-C 3.53Å; G60-Y92 WeakPolarHBondContact O-CB 3.22Å; G60-Y92 PolarHBondContact O-N 2.97Å; F62-Y92 VanDerWaalsContact CB-CB 3.49Å; F62-Y92 HydrophobicContact CB-CD2 4.44Å; F62-Y92 HydrophobicContact CB-CG 4.12Å; H63-Y92 AromaticContact NE2-CE2 3.96Å; Y92-V94 VanDerWaalsContact C-N 3.26Å; Y92-V94 PolarHBondContact O-N 2.83Å; Y92-E95 VanDerWaalsContact CA-OE2 3.27Å; Y92-E95 WeakPolarHBondContact CA-OE2 3.23Å; Y92-E95 WeakPolarHBondContact CB-OE2 3.22Å; Y92-E95 PolarHBondContact O-N 3.14Å; Y92-T96 VanDerWaalsContact O-CB 3.26Å; Y92-T96 WeakPolarHBondContact O-CB 3.31Å; Y92-T96 PolarHBondContact O-N 2.87Å; Y92-T96 PolarHBondContact O-OG1 3.12Å
93S98.8Very high98.3Very high0 Ų015.8 Ų15.80%07%0.065CC..Hα-helixtrans-59.5-39.7176.2-530000111.2D88 T96 V97 E132D88-S93 PolarHBondContact N-OG 3Å; D88-S93 VanDerWaalsContact N-OG 3.08Å; S93-T96 PolarHBondContact O-N 3.02Å; S93-V97 VanDerWaalsContact O-CG1 3.28Å; S93-V97 WeakPolarHBondContact O-CG1 3.45Å; S93-V97 PolarHBondContact O-N 3.18Å; S93-E132 WeakPolarHBondContact CA-OE2 3.24Å; S93-E132 WeakPolarHBondContact CB-OE2 3.49Å; S93-E132 VanDerWaalsContact N-CD 3.34Å; S93-E132 PolarHBondContact N-OE1 2.79Å; S93-E132 PolarHBondContact N-OE2 3.04Å; S93-E132 PolarHBondContact OG-OE2 2.99Å
94V98.8Very high98.3Very high0 Ų015.9 Ų15.90%07%0.066CC..Hα-helixtrans-58.7-54.2177.9168.50000110.7Q22 Y92 T96 T98 F129 E132 K136 Y137Q22-V94 HydrophobicContact CB-CG1 4.03Å; Y92-V94 VanDerWaalsContact C-N 3.26Å; Y92-V94 PolarHBondContact O-N 2.83Å; V94-T96 VanDerWaalsContact C-N 3.32Å; V94-T96 PolarHBondContact O-N 2.94Å; V94-T98 WeakPolarHBondContact O-CB 3.41Å; V94-T98 PolarHBondContact O-N 2.62Å; V94-T98 PolarHBondContact O-OG1 2.79Å; V94-F129 HydrophobicContact CG2-CD2 4.49Å; V94-F129 HydrophobicContact CG2-CE2 3.92Å; V94-E132 WeakPolarHBondContact CB-OE1 3.43Å; V94-E132 HydrophobicContact CG2-CG 4.06Å; V94-E132 WeakPolarHBondContact CG2-OE1 3.24Å; V94-E132 PolarHBondContact N-OE1 2.93Å; V94-K136 HydrophobicContact CB-CD 3.97Å; V94-K136 HydrophobicContact CG1-CD 4.27Å; V94-K136 HydrophobicContact CG2-CD 3.96Å; V94-Y137 HydrophobicContact CG1-CE2 3.69Å; V94-Y137 VanDerWaalsContact CG1-OH 3.24Å; V94-Y137 WeakPolarHBondContact CG1-OH 3.26Å; V94-Y137 HydrophobicContact CG2-CE2 4.16Å
95E98.9Very high98.3Very high8 Ų816.2 Ų16.24%0.0377%0.068CC..Hα-helixtrans-65.7-39.2-178.9-63.579.5-176.700111.1Q22 F62 Y92 L99 K136Q22-E95 HydrophobicContact CB-CG 4.49Å; F62-E95 HydrophobicContact CD2-CB 3.68Å; F62-E95 HydrophobicContact CE2-CB 3.95Å; F62-E95 HydrophobicContact CG-CB 4.32Å; Y92-E95 VanDerWaalsContact CA-OE2 3.27Å; Y92-E95 WeakPolarHBondContact CA-OE2 3.23Å; Y92-E95 WeakPolarHBondContact CB-OE2 3.22Å; Y92-E95 PolarHBondContact O-N 3.14Å; E95-L99 VanDerWaalsContact O-CB 3.26Å; E95-L99 WeakPolarHBondContact O-CB 3.45Å; E95-L99 PolarHBondContact O-N 2.7Å; E95-K136 WeakPolarHBondContact OE1-CE 3.33Å; E95-K136 IonicContact OE1-NZ 3.08Å; E95-K136 PolarHBondContact OE1-NZ 3.27Å; E95-K136 IonicContact OE2-NZ 3.43Å; E95-K136 PolarHBondContact OE2-NZ 3.08Å
96T98.9Very high98.3Very high0 Ų019.5 Ų19.50%08%0.08CC..Hα-helixtrans-59.7-57.5179.5-600000111.3V58 L65 Y86 Y92 S93 V94 T98 L99 L100V58-T96 HydrophobicContact CB-CG2 4.35Å; V58-T96 HydrophobicContact CG1-CG2 3.61Å; L65-T96 HydrophobicContact CD2-CG2 4.04Å; Y86-T96 WeakPolarHBondContact O-CG2 3.26Å; Y92-T96 VanDerWaalsContact O-CB 3.26Å; Y92-T96 WeakPolarHBondContact O-CB 3.31Å; Y92-T96 PolarHBondContact O-N 2.87Å; Y92-T96 PolarHBondContact O-OG1 3.12Å; S93-T96 PolarHBondContact O-N 3.02Å; V94-T96 VanDerWaalsContact C-N 3.32Å; V94-T96 PolarHBondContact O-N 2.94Å; T96-T98 PolarHBondContact O-N 3.41Å; T96-L99 PolarHBondContact O-N 2.8Å; T96-L100 HydrophobicContact CG2-CD1 4.44Å; T96-L100 WeakPolarHBondContact O-CG 3.27Å; T96-L100 PolarHBondContact O-N 3.41Å; T96-L100 VanDerWaalsContact O-N 3.14Å
97V98.9Very high98.3Very high2 Ų221 Ų211%0.0129%0.087CC..Hα-helixtrans-68.5-36.5-178.474.90000111.7V87 S93 L99 L100 V101 F129 F146 F150V87-V97 HydrophobicContact CG1-CB 3.78Å; V87-V97 HydrophobicContact CG1-CG1 4Å; V87-V97 HydrophobicContact CG1-CG2 4.14Å; S93-V97 VanDerWaalsContact O-CG1 3.28Å; S93-V97 WeakPolarHBondContact O-CG1 3.45Å; S93-V97 PolarHBondContact O-N 3.18Å; V97-L99 VanDerWaalsContact C-N 3.34Å; V97-L99 PolarHBondContact O-N 3.18Å; V97-L100 PolarHBondContact O-N 2.86Å; V97-V101 HydrophobicContact CG2-CG2 4.33Å; V97-V101 WeakPolarHBondContact O-CB 3.45Å; V97-V101 VanDerWaalsContact O-CG2 3.25Å; V97-V101 WeakPolarHBondContact O-CG2 3.44Å; V97-V101 PolarHBondContact O-N 3.46Å; V97-F129 HydrophobicContact CG1-CE2 4.18Å; V97-F129 HydrophobicContact CG1-CZ 4.08Å; V97-F146 HydrophobicContact CG1-CD1 3.99Å; V97-F146 HydrophobicContact CG1-CD2 4.33Å; V97-F146 HydrophobicContact CG1-CE1 3.79Å; V97-F146 HydrophobicContact CG1-CE2 4.11Å; V97-F146 HydrophobicContact CG1-CG 4.28Å; V97-F146 HydrophobicContact CG1-CZ 3.86Å; V97-F146 HydrophobicContact CG2-CD1 4.26Å; V97-F146 HydrophobicContact CG2-CE1 4.36Å; V97-F150 HydrophobicContact CG2-CE1 3.83Å; V97-F150 HydrophobicContact CG2-CZ 4.17Å
98T98.9Very high98.2Very high0 Ų026.2 Ų26.20%011%0.106CC..Hα-helixtrans-63.7-41177.6-52.30000111L17 L23 L31 V94 T96 A102 F146L17-T98 HydrophobicContact CD1-CG2 3.75Å; L17-T98 HydrophobicContact CD2-CG2 3.76Å; L17-T98 HydrophobicContact CG-CG2 4.39Å; L23-T98 HydrophobicContact CB-CG2 4.4Å; L23-T98 HydrophobicContact CD1-CG2 3.61Å; L23-T98 HydrophobicContact CG-CG2 3.83Å; L31-T98 HydrophobicContact CD2-CG2 3.75Å; V94-T98 WeakPolarHBondContact O-CB 3.41Å; V94-T98 PolarHBondContact O-N 2.62Å; V94-T98 PolarHBondContact O-OG1 2.79Å; T96-T98 PolarHBondContact O-N 3.41Å; T98-A102 VanDerWaalsContact O-CB 3.24Å; T98-A102 WeakPolarHBondContact O-CB 3.4Å; T98-A102 PolarHBondContact O-N 3.14Å; T98-F146 HydrophobicContact CG2-CZ 4.47Å; T98-F146 VanDerWaalsContact OG1-CZ 3.28Å; T98-F146 WeakPolarHBondContact OG1-CZ 3.46Å
99L98.9Very high98.1Very high1 Ų134.5 Ų34.51%0.00515%0.145CC..Hα-helixtrans-65.1-48.4177.6178.660.5000112I14 L17 F62 L65 M66 F69 E95 T96 V97 V101 A102 L103I14-L99 HydrophobicContact CG2-CD1 4.2Å; L17-L99 HydrophobicContact CB-CB 4.24Å; L17-L99 HydrophobicContact CB-CD1 3.92Å; L17-L99 HydrophobicContact CD1-CB 4.48Å; F62-L99 HydrophobicContact CE2-CB 4.48Å; F62-L99 HydrophobicContact CE2-CD2 3.83Å; F62-L99 HydrophobicContact CZ-CD2 4.24Å; L65-L99 HydrophobicContact CD2-CD2 4.38Å; M66-L99 HydrophobicContact CE-CD2 3.37Å; F69-L99 HydrophobicContact CE2-CD2 4.32Å; E95-L99 VanDerWaalsContact O-CB 3.26Å; E95-L99 WeakPolarHBondContact O-CB 3.45Å; E95-L99 PolarHBondContact O-N 2.7Å; T96-L99 PolarHBondContact O-N 2.8Å; V97-L99 VanDerWaalsContact C-N 3.34Å; V97-L99 PolarHBondContact O-N 3.18Å; L99-V101 VanDerWaalsContact C-N 3.34Å; L99-V101 PolarHBondContact O-N 3.21Å; L99-A102 PolarHBondContact O-N 3.34Å; L99-L103 HydrophobicContact CD1-CD1 4.29Å; L99-L103 HydrophobicContact CD1-CG 4.25Å; L99-L103 HydrophobicContact CG-CD1 4.19Å; L99-L103 WeakPolarHBondContact O-CG 3.12Å; L99-L103 PolarHBondContact O-N 3.15Å
100L98.9Very high98.2Very high1 Ų136.5 Ų36.51%0.00515%0.153CC..Hα-helixtrans-63-40.8-179.6-66.7175.2000111.9L65 F69 F82 Y86 T96 V97 L103 K104 I111 I113L65-L100 HydrophobicContact CD1-CD2 4.46Å; L65-L100 HydrophobicContact CD2-CD2 4.26Å; L65-L100 HydrophobicContact CD2-CG 4.3Å; F69-L100 HydrophobicContact CZ-CD2 4.2Å; F82-L100 HydrophobicContact CD2-CD2 4.22Å; F82-L100 HydrophobicContact CE1-CD2 4.26Å; F82-L100 HydrophobicContact CE2-CD2 3.83Å; F82-L100 HydrophobicContact CZ-CD2 3.87Å; Y86-L100 HydrophobicContact CD1-CD1 3.29Å; Y86-L100 HydrophobicContact CE1-CD1 3.76Å; Y86-L100 HydrophobicContact CG-CD1 4.05Å; T96-L100 HydrophobicContact CG2-CD1 4.44Å; T96-L100 WeakPolarHBondContact O-CG 3.27Å; T96-L100 PolarHBondContact O-N 3.41Å; T96-L100 VanDerWaalsContact O-N 3.14Å; V97-L100 PolarHBondContact O-N 2.86Å; L100-L103 PolarHBondContact O-N 3.31Å; L100-K104 PolarHBondContact O-N 2.84Å; L100-I111 HydrophobicContact CD2-CD1 4.05Å; L100-I113 HydrophobicContact CB-CG2 4.39Å
101V98.9Very high98.4Very high4 Ų436.1 Ų36.12%0.02415%0.149CC..Hα-helixtrans-67.1-40.2174.3175.60000111.3L31 A35 V97 L99 L103 K104 V105 I113 L149L31-V101 HydrophobicContact CD1-CG1 4.38Å; L31-V101 HydrophobicContact CD2-CB 4.42Å; L31-V101 HydrophobicContact CD2-CG1 4.13Å; L31-V101 HydrophobicContact CG-CG1 3.91Å; A35-V101 HydrophobicContact CB-CG1 3.64Å; V97-V101 HydrophobicContact CG2-CG2 4.33Å; V97-V101 WeakPolarHBondContact O-CB 3.45Å; V97-V101 VanDerWaalsContact O-CG2 3.25Å; V97-V101 WeakPolarHBondContact O-CG2 3.44Å; V97-V101 PolarHBondContact O-N 3.46Å; L99-V101 VanDerWaalsContact C-N 3.34Å; L99-V101 PolarHBondContact O-N 3.21Å; V101-L103 PolarHBondContact O-N 3.46Å; V101-K104 WeakPolarHBondContact O-CB 3.44Å; V101-K104 PolarHBondContact O-N 3.03Å; V101-K104 VanDerWaalsContact O-N 3.16Å; V101-V105 HydrophobicContact CG1-CG2 4.36Å; V101-V105 WeakPolarHBondContact O-CG2 3.28Å; V101-V105 PolarHBondContact O-N 2.94Å; V101-I113 HydrophobicContact CG2-CD1 4.18Å; V101-L149 HydrophobicContact CB-CD2 4.46Å; V101-L149 HydrophobicContact CG1-CD2 3.79Å; V101-L149 HydrophobicContact CG2-CD2 3.76Å
102A98.9Very high98.5Very high0 Ų030 Ų300%013%0.126CC..Hα-helixtrans-61.2-43.4175.200000112L10 I14 L17 L31 T98 L99 K104 V105 R106L10-A102 HydrophobicContact CD1-CB 4.33Å; I14-A102 HydrophobicContact CD1-CB 4.5Å; I14-A102 HydrophobicContact CG1-CB 3.81Å; L17-A102 HydrophobicContact CD1-CB 4.01Å; L31-A102 HydrophobicContact CD1-CB 4.25Å; L31-A102 HydrophobicContact CD2-CB 4.21Å; T98-A102 VanDerWaalsContact O-CB 3.24Å; T98-A102 WeakPolarHBondContact O-CB 3.4Å; T98-A102 PolarHBondContact O-N 3.14Å; L99-A102 PolarHBondContact O-N 3.34Å; A102-K104 VanDerWaalsContact C-N 3.34Å; A102-K104 PolarHBondContact O-N 3.05Å; A102-V105 PolarHBondContact O-N 3.11Å; A102-R106 WeakPolarHBondContact O-CB 2.92Å; A102-R106 PolarHBondContact O-N 2.82Å
103L98.8Very high98.5Very high9 Ų926.3 Ų26.35%0.04711%0.112CC..Hα-helixtrans-60.9-42.3172.5-68.8171.2000111.3I14 F69 L99 L100 V101 R106 F107 I111I14-L103 HydrophobicContact CD1-CD2 4.21Å; I14-L103 HydrophobicContact CG2-CD2 4.29Å; F69-L103 HydrophobicContact CE2-CD1 4.48Å; F69-L103 HydrophobicContact CZ-CD1 4.03Å; L99-L103 HydrophobicContact CD1-CD1 4.29Å; L99-L103 HydrophobicContact CD1-CG 4.25Å; L99-L103 HydrophobicContact CG-CD1 4.19Å; L99-L103 WeakPolarHBondContact O-CG 3.12Å; L99-L103 PolarHBondContact O-N 3.15Å; L100-L103 PolarHBondContact O-N 3.31Å; V101-L103 PolarHBondContact O-N 3.46Å; L103-R106 PolarHBondContact O-N 3.01Å; L103-F107 HydrophobicContact CD2-CD2 3.95Å; L103-F107 HydrophobicContact CD2-CE2 3.97Å; L103-F107 WeakPolarHBondContact O-CA 3.37Å; L103-F107 PolarHBondContact O-N 3.18Å; L103-I111 HydrophobicContact CB-CD1 4.1Å; L103-I111 HydrophobicContact CB-CG2 4.17Å; L103-I111 HydrophobicContact CD1-CD1 4.35Å
104K98.8Very high98.5Very high3 Ų326.3 Ų26.31%0.01311%0.112CC..Hα-helixtrans-61.3-45.7175.9-179.661.2178.61780112.6L39 E42 L100 V101 A102 R106 R108 I111 I113L39-K104 HydrophobicContact CD2-CG 4.44Å; E42-K104 WeakPolarHBondContact OE1-CE 3.4Å; E42-K104 IonicContact OE1-NZ 3.84Å; E42-K104 PolarHBondContact OE1-NZ 3.16Å; E42-K104 IonicContact OE2-NZ 3.21Å; L100-K104 PolarHBondContact O-N 2.84Å; V101-K104 WeakPolarHBondContact O-CB 3.44Å; V101-K104 PolarHBondContact O-N 3.03Å; V101-K104 VanDerWaalsContact O-N 3.16Å; A102-K104 VanDerWaalsContact C-N 3.34Å; A102-K104 PolarHBondContact O-N 3.05Å; K104-R106 VanDerWaalsContact C-N 3.29Å; K104-R106 PolarHBondContact O-N 2.93Å; K104-R108 PolarHBondContact NZ-O 3.5Å; K104-R108 VanDerWaalsContact O-CA 3.26Å; K104-R108 WeakPolarHBondContact O-CA 3.4Å; K104-R108 WeakPolarHBondContact O-CG 3.45Å; K104-R108 PolarHBondContact O-N 3.05Å; K104-I111 HydrophobicContact CB-CG2 4.02Å; K104-I111 HydrophobicContact CD-CG2 4.14Å; K104-I111 WeakPolarHBondContact CD-O 3.36Å; K104-I111 PolarHBondContact NZ-O 2.9Å; K104-I113 HydrophobicContact CB-CD1 3.9Å; K104-I113 HydrophobicContact CB-CG1 4.35Å; K104-I113 HydrophobicContact CD-CG1 4.41Å; K104-I113 HydrophobicContact CG-CD1 4.02Å; K104-I113 HydrophobicContact CG-CG1 4.16Å
105V98.7Very high98.6Very high6 Ų626.3 Ų26.34%0.03611%0.112CC..Hα-helixtrans-65.1-38178.7177.30000110.8F6 L10 L31 K34 A35 I38 V101 A102F6-V105 HydrophobicContact CE1-CG1 4.13Å; F6-V105 HydrophobicContact CZ-CG1 4.39Å; L10-V105 HydrophobicContact CD2-CB 4Å; L10-V105 HydrophobicContact CD2-CG1 3.62Å; L31-V105 HydrophobicContact CD1-CB 4.16Å; L31-V105 HydrophobicContact CD1-CG2 3.85Å; K34-V105 HydrophobicContact CB-CG1 3.98Å; K34-V105 HydrophobicContact CB-CG2 4.43Å; A35-V105 HydrophobicContact CB-CG2 3.71Å; I38-V105 HydrophobicContact CD1-CB 4.23Å; I38-V105 HydrophobicContact CD1-CG1 4.18Å; I38-V105 HydrophobicContact CD1-CG2 4.13Å; V101-V105 HydrophobicContact CG1-CG2 4.36Å; V101-V105 WeakPolarHBondContact O-CG2 3.28Å; V101-V105 PolarHBondContact O-N 2.94Å; A102-V105 PolarHBondContact O-N 3.11Å
106R98.3Very high98.6Very high72 Ų7226 Ų2627%0.27211%0.11SC..Hα-helixtrans-80.1-39-174.6-177.755.5-17679.73.7114.3L10 D11 I14 A102 L103 K104L10-R106 HydrophobicContact CD2-CB 3.54Å; L10-R106 HydrophobicContact CD2-CG 4.27Å; L10-R106 HydrophobicContact CG-CB 4.03Å; D11-R106 IonicContact OD1-CZ 3.44Å; D11-R106 IonicContact OD1-NE 2.69Å; D11-R106 PolarHBondContact OD1-NE 3.49Å; D11-R106 IonicContact OD1-NH2 3.33Å; D11-R106 PolarHBondContact OD1-NH2 2.63Å; D11-R106 IonicContact OD2-NE 3.78Å; D11-R106 IonicContact OD2-NH2 3.56Å; I14-R106 HydrophobicContact CD1-CB 3.68Å; I14-R106 HydrophobicContact CD1-CG 3.74Å; A102-R106 WeakPolarHBondContact O-CB 2.92Å; A102-R106 PolarHBondContact O-N 2.82Å; L103-R106 PolarHBondContact O-N 3.01Å; K104-R106 VanDerWaalsContact C-N 3.29Å; K104-R106 PolarHBondContact O-N 2.93Å
107F98.1Very high98.5Very high34 Ų3426.1 Ų26.115%0.14911%0.111CC..SBendtrans-131.460.4-171.7-52.2-63.9000109.8I14 P76 L103 E109 R110 I111I14-F107 HydrophobicContact CD1-CE2 4.37Å; P76-F107 HydrophobicContact CB-CB 4.39Å; P76-F107 HydrophobicContact CB-CD1 3.66Å; P76-F107 HydrophobicContact CB-CD2 4.2Å; P76-F107 HydrophobicContact CB-CE1 3.84Å; P76-F107 HydrophobicContact CB-CE2 4.37Å; P76-F107 HydrophobicContact CB-CG 3.85Å; P76-F107 HydrophobicContact CB-CZ 4.21Å; P76-F107 HydrophobicContact CG-CD1 4.01Å; P76-F107 HydrophobicContact CG-CE1 3.63Å; P76-F107 HydrophobicContact CG-CE2 4.34Å; P76-F107 HydrophobicContact CG-CG 4.5Å; P76-F107 HydrophobicContact CG-CZ 3.83Å; L103-F107 HydrophobicContact CD2-CD2 3.95Å; L103-F107 HydrophobicContact CD2-CE2 3.97Å; L103-F107 WeakPolarHBondContact O-CA 3.37Å; L103-F107 PolarHBondContact O-N 3.18Å; F107-E109 PolarHBondContact O-N 2.81Å; F107-R110 HydrophobicContact CB-CB 3.73Å; F107-R110 HydrophobicContact CB-CG 3.84Å; F107-R110 WeakPolarHBondContact O-CA 3.49Å; F107-R110 WeakPolarHBondContact O-CB 3.48Å; F107-R110 PolarHBondContact O-N 2.75Å; F107-I111 PolarHBondContact O-N 3.19Å
108R96.5Very high98.5Very high110 Ų11026.5 Ų26.542%0.41511%0.113SC..THydrogen-bonded Turntrans-47.5-40.9-169.8-61178.6-175.7167.1-3.3115.1I38 K104I38-R108 HydrophobicContact CD1-CG 3.96Å; I38-R108 HydrophobicContact CG1-CG 4.45Å; I38-R108 HydrophobicContact CG2-CG 4.24Å; K104-R108 PolarHBondContact NZ-O 3.5Å; K104-R108 VanDerWaalsContact O-CA 3.26Å; K104-R108 WeakPolarHBondContact O-CA 3.4Å; K104-R108 WeakPolarHBondContact O-CG 3.45Å; K104-R108 PolarHBondContact O-N 3.05Å
109E96.3Very high98.5Very high174 Ų17426.5 Ų26.581%0.81311%0.113SC*.THydrogen-bonded Turntrans-89.9-4.1-178.2-53.8-56.413900113.7F107F107-E109 PolarHBondContact O-N 2.81Å
110R98.4Very high98.5Very high113 Ų11326.8 Ų26.843%0.42612%0.115SC..THydrogen-bonded Turntrans-102.2-15.7-176.9-56.7-64.4-172.3172.14113.1P76 N79 Y80 F107P76-R110 HydrophobicContact CB-CB 4.41Å; P76-R110 HydrophobicContact CB-CG 3.89Å; N79-R110 CarbonylContact C-O 3.12Å; N79-R110 VanDerWaalsContact CA-O 3.24Å; N79-R110 WeakPolarHBondContact CA-O 3.46Å; N79-R110 WeakPolarHBondContact OD1-CD 3.4Å; N79-R110 PolarHBondContact OD1-NH1 3.49Å; Y80-R110 PolarHBondContact N-O 3.18Å; F107-R110 HydrophobicContact CB-CB 3.73Å; F107-R110 HydrophobicContact CB-CG 3.84Å; F107-R110 WeakPolarHBondContact O-CA 3.49Å; F107-R110 WeakPolarHBondContact O-CB 3.48Å; F107-R110 PolarHBondContact O-N 2.75Å
111I98.6Very high98.5Very high0 Ų029.1 Ų29.10%012%0.123CC..EExtended strand (participates in β ladder)trans-141.2130.3179.3-170.1171000110.6Y80 F82 L100 L103 K104 F107 I113Y80-I111 CarbonylContact O-C 3.57Å; Y80-I111 VanDerWaalsContact O-CA 3.29Å; Y80-I111 WeakPolarHBondContact O-CA 3.49Å; F82-I111 HydrophobicContact CD2-CD1 4Å; F82-I111 HydrophobicContact CD2-CG1 4.18Å; F82-I111 HydrophobicContact CE2-CD1 3.86Å; F82-I111 HydrophobicContact CE2-CG1 4.36Å; L100-I111 HydrophobicContact CD2-CD1 4.05Å; L103-I111 HydrophobicContact CB-CD1 4.1Å; L103-I111 HydrophobicContact CB-CG2 4.17Å; L103-I111 HydrophobicContact CD1-CD1 4.35Å; K104-I111 HydrophobicContact CB-CG2 4.02Å; K104-I111 HydrophobicContact CD-CG2 4.14Å; K104-I111 WeakPolarHBondContact CD-O 3.36Å; K104-I111 PolarHBondContact NZ-O 2.9Å; F107-I111 PolarHBondContact O-N 3.19Å; I111-I113 HydrophobicContact CD1-CG2 4.36Å; I111-I113 HydrophobicContact CG1-CG2 4.26Å
112T98.9Very high98.4Very high13 Ų1333.1 Ų33.18%0.0814%0.142CC..EExtended strand (participates in β ladder)trans-110.5131.6170.8-60.20000107.9Q46 V48 Y80 L81 F82 L114Q46-T112 HydrophobicContact CG-CG2 4.12Å; V48-T112 HydrophobicContact CG2-CG2 4.1Å; V48-T112 WeakPolarHBondContact CG2-OG1 3.43Å; Y80-T112 PolarHBondContact O-N 3.44Å; L81-T112 WeakPolarHBondContact CA-O 3.28Å; L81-T112 HydrophobicContact CG-CG2 4.38Å; F82-T112 PolarHBondContact N-O 3.28Å; T112-L114 HydrophobicContact CG2-CD2 4Å
113I98.9Very high98.4Very high3 Ų334.2 Ų34.22%0.01515%0.148CC..EExtended strand (participates in β ladder)trans-123112.817849173.5000108.2F82 Y86 L100 V101 K104 I111 L153F82-I113 HydrophobicContact CB-CG2 4.45Å; Y86-I113 HydrophobicContact CE1-CG2 4.42Å; Y86-I113 HydrophobicContact CE2-CB 4.49Å; Y86-I113 VanDerWaalsContact OH-C 3.31Å; Y86-I113 VanDerWaalsContact OH-CA 3.28Å; Y86-I113 WeakPolarHBondContact OH-CA 3.49Å; Y86-I113 WeakPolarHBondContact OH-CB 3.4Å; L100-I113 HydrophobicContact CB-CG2 4.39Å; V101-I113 HydrophobicContact CG2-CD1 4.18Å; K104-I113 HydrophobicContact CB-CD1 3.9Å; K104-I113 HydrophobicContact CB-CG1 4.35Å; K104-I113 HydrophobicContact CD-CG1 4.41Å; K104-I113 HydrophobicContact CG-CD1 4.02Å; K104-I113 HydrophobicContact CG-CG1 4.16Å; I111-I113 HydrophobicContact CD1-CG2 4.36Å; I111-I113 HydrophobicContact CG1-CG2 4.26Å; I113-L153 HydrophobicContact CB-CD2 4.37Å; I113-L153 HydrophobicContact CD1-CD2 3.79Å; I113-L153 HydrophobicContact CG1-CD2 3.81Å
114L98.9Very high98.4Very high0 Ų033.8 Ų33.80%015%0.145CC..  trans-87.8166.7176.8-56.6-174.7000111.2L81 F82 M83 Y86 T112 P154 A157 C165L81-L114 HydrophobicContact CD2-CD1 4.06Å; L81-L114 HydrophobicContact CD2-CG 4.4Å; F82-L114 WeakPolarHBondContact O-CB 3.28Å; F82-L114 PolarHBondContact O-N 3.1Å; M83-L114 HydrophobicContact CG-CD1 4.44Å; Y86-L114 VanDerWaalsContact CE2-O 3.24Å; Y86-L114 WeakPolarHBondContact CE2-O 3.47Å; Y86-L114 VanDerWaalsContact CZ-O 3.29Å; Y86-L114 PolarHBondContact OH-N 3.36Å; Y86-L114 PolarHBondContact OH-O 3.42Å; T112-L114 HydrophobicContact CG2-CD2 4Å; L114-P154 CarbonylContact C-O 3.57Å; L114-P154 WeakPolarHBondContact CA-O 3.29Å; L114-P154 HydrophobicContact CD2-CB 3.85Å; L114-A157 HydrophobicContact CD1-CB 4.08Å; L114-A157 HydrophobicContact CD2-CB 4.04Å; L114-C165 HydrophobicContact CD1-CB 4.47Å
115R98.9Very high98.3Very high0 Ų038.3 Ų38.30%017%0.166CC..  trans-82.4129.9173-158172.3-173.7168.66.5109.8E119 F150 D151 L153 P154 Q187 L199R115-E119 HydrophobicContact CG-CB 3.86Å; R115-E119 PolarHBondContact NE-O 3.48Å; R115-E119 PolarHBondContact NH2-O 2.62Å; R115-F150 WeakPolarHBondContact CD-O 3.49Å; R115-F150 PolarHBondContact NE-O 2.8Å; R115-D151 IonicContact CZ-OD1 3.85Å; R115-D151 IonicContact NH1-OD1 2.9Å; R115-D151 IonicContact NH2-OD1 2.77Å; R115-D151 PolarHBondContact NH2-OD1 2.82Å; R115-L153 HydrophobicContact CB-CB 3.73Å; R115-L153 HydrophobicContact CB-CD1 4.37Å; R115-L153 HydrophobicContact CG-CB 4.14Å; R115-L153 HydrophobicContact CG-CD1 4.25Å; R115-P154 PolarHBondContact N-O 3.18Å; R115-Q187 PolarHBondContact NH1-O 3.08Å; R115-L199 HydrophobicContact CB-CD2 4.38Å; R115-L199 HydrophobicContact CG-CD1 4.38Å; R115-L199 WeakPolarHBondContact O-CD2 3.37Å
116G98.9Very high98.2Very high0 Ų043 Ų430%020%0.195CC..  trans-96.9176.6163.900000111.9D85 H118 E119 H167D85-G116 WeakPolarHBondContact OD1-CA 3.47Å; G116-H118 PolarHBondContact O-N 2.88Å; G116-E119 WeakPolarHBondContact CA-OE2 3.49Å; G116-E119 PolarHBondContact N-OE2 3.5Å; G116-E119 PolarHBondContact O-N 3.35Å; G116-H167 VanDerWaalsContact CA-CD2 3.46Å; G116-H167 WeakPolarHBondContact CA-CD2 3.48Å; G116-H167 VanDerWaalsContact CA-CG 3.49Å
117N98.8Very high98.1Very high4 Ų444.2 Ų44.22%0.02120%0.2CC..THydrogen-bonded Turntrans-71.8-22.1177.566.6-65.7000112.1D85 S120 I123 H167 L199 W200 H241D85-N117 PolarHBondContact OD1-N 2.98Å; D85-N117 PolarHBondContact OD1-OD1 2.67Å; D85-N117 PolarHBondContact OD2-OD1 3Å; N117-S120 WeakPolarHBondContact O-CB 3.49Å; N117-I123 WeakPolarHBondContact O-CG1 3.37Å; N117-H167 PolarHBondContact N-CD2 3Å; N117-H167 PolarHBondContact OD1-CD2 3.02Å; N117-H167 VanDerWaalsContact OD1-CD2 3.25Å; N117-H167 PolarHBondContact OD1-NE2 3Å; N117-L199 HydrophobicContact CB-CB 4.27Å; N117-W200 HydrophobicContact CB-CD2 3.93Å; N117-W200 HydrophobicContact CB-CG 4.3Å; N117-W200 HydrophobicContact CB-CH2 4.41Å; N117-W200 HydrophobicContact CB-CZ2 3.77Å; N117-W200 VanDerWaalsContact ND2-CH2 3.33Å; N117-W200 WeakPolarHBondContact ND2-CH2 3.28Å; N117-H241 VanDerWaalsContact CG-CE1 3.43Å; N117-H241 PolarHBondContact OD1-CE1 3.22Å; N117-H241 PolarHBondContact OD1-ND1 3.03Å
118H98.7Very high98Very high10 Ų1043.8 Ų43.85%0.04621%0.205CC..THydrogen-bonded Turntrans-78.7-14.9174.1-79.2-100.1000114.1H59 D85 V87 D88 G116 S120 I123 T124H59-H118 AromaticContact CE1-CD2 3.52Å; H59-H118 AromaticContact CE1-CG 3.76Å; H59-H118 AromaticContact CE1-NE2 3.73Å; D85-H118 WeakPolarHBondContact OD1-CB 3.5Å; D85-H118 IonicContact OD1-CD2 3.49Å; D85-H118 IonicContact OD1-CG 2.94Å; D85-H118 PolarHBondContact OD1-N 2.93Å; D85-H118 IonicContact OD2-CD2 3.62Å; D85-H118 PolarHBondContact OD2-CD2 2.9Å; D85-H118 VanDerWaalsContact OD2-CD2 3.28Å; V87-H118 HydrophobicContact CG2-CB 4.35Å; D88-H118 WeakPolarHBondContact CB-ND1 3.48Å; D88-H118 IonicContact OD2-CE1 2.84Å; D88-H118 IonicContact OD2-CG 2.82Å; D88-H118 IonicContact OD2-ND1 3.51Å; D88-H118 PolarHBondContact OD2-ND1 2.85Å; G116-H118 PolarHBondContact O-N 2.88Å; H118-S120 PolarHBondContact O-N 3.37Å; H118-I123 HydrophobicContact CB-CG2 4.2Å; H118-I123 VanDerWaalsContact CE1-CG2 3.48Å; H118-I123 WeakPolarHBondContact CE1-CG2 3.43Å; H118-I123 WeakPolarHBondContact ND1-CG2 3.25Å; H118-T124 WeakPolarHBondContact O-CG2 3.34Å
119E98.8Very high98.1Very high0 Ų038.5 Ų38.50%019%0.185CC..SBendtrans-79.352171.3-76.471.7-136.900111.8D85 Y86 R115 G116 F150 L153D85-E119 PolarHBondContact N-OE2 3.12Å; Y86-E119 VanDerWaalsContact CD2-CD 3.48Å; Y86-E119 HydrophobicContact CD2-CG 3.87Å; Y86-E119 VanDerWaalsContact CD2-OE1 3.27Å; Y86-E119 WeakPolarHBondContact CD2-OE1 3.46Å; Y86-E119 HydrophobicContact CE2-CG 4.25Å; Y86-E119 PolarHBondContact N-OE1 3.39Å; R115-E119 HydrophobicContact CG-CB 3.86Å; R115-E119 PolarHBondContact NE-O 3.48Å; R115-E119 PolarHBondContact NH2-O 2.62Å; G116-E119 WeakPolarHBondContact CA-OE2 3.49Å; G116-E119 PolarHBondContact N-OE2 3.5Å; G116-E119 PolarHBondContact O-N 3.35Å; E119-F150 HydrophobicContact CB-CB 3.94Å; E119-F150 HydrophobicContact CB-CD1 4.11Å; E119-F150 HydrophobicContact CB-CD2 3.77Å; E119-F150 HydrophobicContact CB-CE2 4.29Å; E119-F150 HydrophobicContact CB-CG 3.68Å; E119-F150 HydrophobicContact CG-CD1 3.8Å; E119-F150 HydrophobicContact CG-CD2 4.03Å; E119-F150 HydrophobicContact CG-CE1 3.89Å; E119-F150 HydrophobicContact CG-CE2 4.11Å; E119-F150 HydrophobicContact CG-CG 3.89Å; E119-F150 HydrophobicContact CG-CZ 4.04Å; E119-F150 WeakPolarHBondContact O-CB 3.42Å; E119-L153 HydrophobicContact CB-CD1 4.13Å; E119-L153 HydrophobicContact CG-CD1 3.89Å
120S98.6Very high98.3Very high6 Ų633.3 Ų33.34%0.04216%0.159CC..SBendtrans-134.5142.7-176.9158.90000110.6N117 H118 Q122 T124 E188N117-S120 WeakPolarHBondContact O-CB 3.49Å; H118-S120 PolarHBondContact O-N 3.37Å; S120-Q122 PolarHBondContact O-N 2.89Å; S120-Q122 PolarHBondContact OG-N 3.42Å; S120-T124 WeakPolarHBondContact O-CB 3.11Å; S120-T124 VanDerWaalsContact O-CG2 3.23Å; S120-T124 WeakPolarHBondContact O-CG2 3.49Å; S120-T124 PolarHBondContact O-N 3.45Å; S120-T124 PolarHBondContact O-OG1 3.08Å; S120-E188 WeakPolarHBondContact CA-OE1 3.39Å; S120-E188 VanDerWaalsContact CB-OE1 3.24Å; S120-E188 WeakPolarHBondContact CB-OE1 3.46Å; S120-E188 PolarHBondContact OG-OE1 3.28Å
121R98.8Very high98.3Very high51 Ų5132.7 Ų32.719%0.19216%0.164CC..Hα-helixtrans-61.4-43177.8-70.4168.4-176.987.2-5.3112.2T124 Q125 W143 T147 D148 D151 E188R121-T124 PolarHBondContact O-OG1 2.96Å; R121-Q125 WeakPolarHBondContact O-CB 3.46Å; R121-Q125 VanDerWaalsContact O-CG 3.26Å; R121-Q125 WeakPolarHBondContact O-CG 3.27Å; R121-Q125 PolarHBondContact O-N 3.23Å; R121-W143 HydrophobicContact CB-CH2 4.39Å; R121-W143 HydrophobicContact CB-CZ2 3.97Å; R121-W143 HydrophobicContact CG-CH2 4.34Å; R121-W143 HydrophobicContact CG-CZ2 4.09Å; R121-T147 HydrophobicContact CG-CG2 3.8Å; R121-T147 PolarHBondContact NH2-O 3.08Å; R121-D148 IonicContact CZ-OD1 3.89Å; R121-D148 IonicContact NH2-OD1 3.65Å; R121-D148 PolarHBondContact NH2-OD1 3Å; R121-D151 IonicContact CZ-OD1 3.58Å; R121-D151 IonicContact CZ-OD2 3.83Å; R121-D151 VanDerWaalsContact CZ-OD2 3.31Å; R121-D151 VanDerWaalsContact NH1-CG 3.34Å; R121-D151 IonicContact NH1-OD1 3.37Å; R121-D151 PolarHBondContact NH1-OD1 3.43Å; R121-D151 IonicContact NH1-OD2 3.93Å; R121-D151 PolarHBondContact NH1-OD2 2.95Å; R121-D151 IonicContact NH2-OD2 2.84Å; R121-D151 PolarHBondContact NH2-OD2 3.49Å; R121-E188 WeakPolarHBondContact CB-OE2 3.37Å; R121-E188 WeakPolarHBondContact CD-OE2 3.15Å; R121-E188 VanDerWaalsContact CG-OE2 3.24Å; R121-E188 WeakPolarHBondContact CG-OE2 3.28Å; R121-E188 IonicContact CZ-OE2 3.93Å; R121-E188 PolarHBondContact N-OE1 2.97Å; R121-E188 PolarHBondContact N-OE2 3.43Å; R121-E188 IonicContact NE-OE2 3.2Å; R121-E188 IonicContact NH1-OE2 3.7Å; R121-E188 PolarHBondContact NH1-OE2 3.2Å
122Q97.6Very high98.3Very high88 Ų8833 Ų3341%0.41117%0.165SC..Hα-helixtrans-68.3-42.8-176.9-64.1-174.85.900111.8S120 H191S120-Q122 PolarHBondContact O-N 2.89Å; S120-Q122 PolarHBondContact OG-N 3.42Å; Q122-H191 PolarHBondContact NE2-CE1 2.9Å; Q122-H191 VanDerWaalsContact NE2-CE1 3.29Å; Q122-H191 PolarHBondContact NE2-NE2 3.38Å; Q122-H191 PolarHBondContact OE1-CE1 2.93Å
123I98.2Very high98.2Very high23 Ų2332.4 Ų32.412%0.11816%0.162CC..Hα-helixtrans-67.8-48.3-179.5-58.2-55.1000110.3N117 H118 Q125 V126 Y127 W200N117-I123 WeakPolarHBondContact O-CG1 3.37Å; H118-I123 HydrophobicContact CB-CG2 4.2Å; H118-I123 VanDerWaalsContact CE1-CG2 3.48Å; H118-I123 WeakPolarHBondContact CE1-CG2 3.43Å; H118-I123 WeakPolarHBondContact ND1-CG2 3.25Å; I123-Q125 PolarHBondContact O-N 2.79Å; I123-V126 PolarHBondContact O-N 2.9Å; I123-Y127 HydrophobicContact CB-CD2 4.38Å; I123-Y127 HydrophobicContact CD1-CE2 4.24Å; I123-Y127 HydrophobicContact CG2-CD2 3.53Å; I123-Y127 HydrophobicContact CG2-CE2 4.09Å; I123-Y127 HydrophobicContact CG2-CG 4.46Å; I123-Y127 VanDerWaalsContact O-CD2 3.29Å; I123-Y127 WeakPolarHBondContact O-CD2 3.39Å; I123-Y127 PolarHBondContact O-N 2.92Å; I123-W200 HydrophobicContact CD1-CH2 3.9Å; I123-W200 HydrophobicContact CD1-CZ2 3.78Å; I123-W200 HydrophobicContact CG1-CH2 4.5Å; I123-W200 HydrophobicContact CG1-CZ2 4.04Å
124T98.6Very high98.2Very high0 Ų035 Ų350%018%0.175CC..Hα-helixtrans-63.2-26.3-179.552.90000114.7V87 H118 S120 R121 V126 F129 Y130 W143 F150V87-T124 HydrophobicContact CG2-CG2 3.81Å; H118-T124 WeakPolarHBondContact O-CG2 3.34Å; S120-T124 WeakPolarHBondContact O-CB 3.11Å; S120-T124 VanDerWaalsContact O-CG2 3.23Å; S120-T124 WeakPolarHBondContact O-CG2 3.49Å; S120-T124 PolarHBondContact O-N 3.45Å; S120-T124 PolarHBondContact O-OG1 3.08Å; R121-T124 PolarHBondContact O-OG1 2.96Å; T124-V126 VanDerWaalsContact C-N 3.28Å; T124-F129 HydrophobicContact CG2-CB 3.92Å; T124-F129 HydrophobicContact CG2-CD1 3.7Å; T124-F129 HydrophobicContact CG2-CG 4.24Å; T124-F129 PolarHBondContact O-N 2.95Å; T124-Y130 VanDerWaalsContact O-CB 3.28Å; T124-Y130 WeakPolarHBondContact O-CB 3.46Å; T124-Y130 PolarHBondContact O-N 2.88Å; T124-W143 PolarHBondContact OG1-NE1 3.44Å; T124-F150 HydrophobicContact CG2-CE2 4.47Å
125Q97.5Very high98.2Very high98 Ų9843 Ų4346%0.45821%0.205SC..Hα-helixtrans-69-26.2173.5-81.3178.7-19.900113.2R121 I123 Y130 W143R121-Q125 WeakPolarHBondContact O-CB 3.46Å; R121-Q125 VanDerWaalsContact O-CG 3.26Å; R121-Q125 WeakPolarHBondContact O-CG 3.27Å; R121-Q125 PolarHBondContact O-N 3.23Å; I123-Q125 PolarHBondContact O-N 2.79Å; Q125-Y130 HydrophobicContact CG-CD2 4.24Å; Q125-Y130 HydrophobicContact CG-CG 4.29Å; Q125-W143 HydrophobicContact CG-CH2 4.35Å; Q125-W143 HydrophobicContact CG-CZ2 3.73Å
126V96.7Very high98.2Very high104 Ų10444.6 Ų44.663%0.6321%0.212SC*.Hα-helixtrans-102-35.4-174.7178.40000111.8I123 T124I123-V126 PolarHBondContact O-N 2.9Å; T124-V126 VanDerWaalsContact C-N 3.28Å
127Y96.1Very high98.2Very high97 Ų9746 Ų4638%0.3822%0.218SC..Hα-helixtrans-104.65.8-166.7-65-74.7000115.7D88 R89 I123D88-Y127 WeakPolarHBondContact CB-O 3.47Å; R89-Y127 PolarHBondContact N-O 3.05Å; R89-Y127 VanDerWaalsContact N-O 3.09Å; I123-Y127 HydrophobicContact CB-CD2 4.38Å; I123-Y127 HydrophobicContact CD1-CE2 4.24Å; I123-Y127 HydrophobicContact CG2-CD2 3.53Å; I123-Y127 HydrophobicContact CG2-CE2 4.09Å; I123-Y127 HydrophobicContact CG2-CG 4.46Å; I123-Y127 VanDerWaalsContact O-CD2 3.29Å; I123-Y127 WeakPolarHBondContact O-CD2 3.39Å; I123-Y127 PolarHBondContact O-N 2.92Å
128G96.1Very high98.1Very high25 Ų2549.2 Ų49.226%0.25825%0.251SS..SBendtrans125.2-19.7156.500000116.4D88 Y130 D131 E132D88-G128 PolarHBondContact OD1-N 2.77Å; D88-G128 VanDerWaalsContact OD1-N 3.15Å; G128-Y130 VanDerWaalsContact C-N 3.34Å; G128-Y130 PolarHBondContact O-N 2.87Å; G128-D131 PolarHBondContact O-N 2.77Å; G128-E132 WeakPolarHBondContact O-CB 3.48Å; G128-E132 PolarHBondContact O-N 3.21Å
129F98.8Very high98.1Very high0 Ų051.1 Ų51.10%026%0.262CS..Hα-helixtrans-65.3-37.2-176.4180-124.5000112.8V87 D88 V94 V97 T124 E132 C133 W143 F146 F150V87-F129 HydrophobicContact CB-CB 4.05Å; V87-F129 HydrophobicContact CB-CD1 4.3Å; V87-F129 HydrophobicContact CB-CD2 3.99Å; V87-F129 HydrophobicContact CB-CE2 4.48Å; V87-F129 HydrophobicContact CB-CG 3.86Å; V87-F129 HydrophobicContact CG1-CD1 4.29Å; V87-F129 HydrophobicContact CG1-CD2 3.91Å; V87-F129 HydrophobicContact CG1-CE1 4.29Å; V87-F129 HydrophobicContact CG1-CE2 3.9Å; V87-F129 HydrophobicContact CG1-CG 4.09Å; V87-F129 HydrophobicContact CG1-CZ 4.09Å; V87-F129 HydrophobicContact CG2-CB 4.27Å; V87-F129 HydrophobicContact CG2-CD1 4.3Å; V87-F129 HydrophobicContact CG2-CG 4.23Å; D88-F129 WeakPolarHBondContact OD1-CB 3.35Å; D88-F129 PolarHBondContact OD1-N 2.83Å; V94-F129 HydrophobicContact CG2-CD2 4.49Å; V94-F129 HydrophobicContact CG2-CE2 3.92Å; V97-F129 HydrophobicContact CG1-CE2 4.18Å; V97-F129 HydrophobicContact CG1-CZ 4.08Å; T124-F129 HydrophobicContact CG2-CB 3.92Å; T124-F129 HydrophobicContact CG2-CD1 3.7Å; T124-F129 HydrophobicContact CG2-CG 4.24Å; T124-F129 PolarHBondContact O-N 2.95Å; F129-E132 PolarHBondContact O-N 3.47Å; F129-C133 PolarHBondContact O-N 2.89Å; F129-C133 PolarHBondContact O-SG 3.15Å; F129-W143 AromaticContact CD1-CD1 3.89Å; F129-F146 HydrophobicContact CE1-CB 3.86Å; F129-F146 HydrophobicContact CE1-CD2 4.44Å; F129-F146 HydrophobicContact CE1-CG 4.42Å; F129-F146 HydrophobicContact CZ-CB 3.91Å; F129-F146 AromaticContact CZ-CD2 3.69Å; F129-F146 HydrophobicContact CZ-CD2 3.69Å; F129-F146 HydrophobicContact CZ-CE2 4.49Å; F129-F146 AromaticContact CZ-CG 3.96Å; F129-F146 HydrophobicContact CZ-CG 3.96Å; F129-F150 HydrophobicContact CD1-CE2 4.49Å; F129-F150 HydrophobicContact CE1-CE2 4.11Å; F129-F150 HydrophobicContact CE1-CZ 4.06Å
130Y98.8Very high98.1Very high65 Ų6552.8 Ų52.826%0.25528%0.276SS..Hα-helixtrans-58.1-54.2173.1179.3-97.5000111.2T124 Q125 G128 E132 C133 L134 A140 W143T124-Y130 VanDerWaalsContact O-CB 3.28Å; T124-Y130 WeakPolarHBondContact O-CB 3.46Å; T124-Y130 PolarHBondContact O-N 2.88Å; Q125-Y130 HydrophobicContact CG-CD2 4.24Å; Q125-Y130 HydrophobicContact CG-CG 4.29Å; G128-Y130 VanDerWaalsContact C-N 3.34Å; G128-Y130 PolarHBondContact O-N 2.87Å; Y130-E132 VanDerWaalsContact C-N 3.29Å; Y130-E132 PolarHBondContact O-N 2.8Å; Y130-C133 WeakPolarHBondContact O-CB 3.23Å; Y130-C133 PolarHBondContact O-N 3.02Å; Y130-C133 VanDerWaalsContact O-N 3.15Å; Y130-L134 HydrophobicContact CD1-CD1 3.75Å; Y130-L134 HydrophobicContact CD2-CD1 3.92Å; Y130-L134 HydrophobicContact CE1-CD1 3.43Å; Y130-L134 VanDerWaalsContact CE1-CD1 3.43Å; Y130-L134 HydrophobicContact CE1-CD2 3.9Å; Y130-L134 HydrophobicContact CE1-CG 4.32Å; Y130-L134 HydrophobicContact CE2-CD1 3.62Å; Y130-L134 HydrophobicContact CG-CD1 3.98Å; Y130-L134 WeakPolarHBondContact O-CD1 3.39Å; Y130-L134 PolarHBondContact O-N 2.84Å; Y130-A140 HydrophobicContact CE2-CB 4.19Å; Y130-W143 HydrophobicContact CD2-CB 4.33Å; Y130-W143 AromaticContact CD2-CD1 3.92Å; Y130-W143 AromaticContact CD2-CD2 3.51Å; Y130-W143 HydrophobicContact CD2-CD2 3.51Å; Y130-W143 AromaticContact CD2-CE2 3.7Å; Y130-W143 AromaticContact CD2-CE3 3.94Å; Y130-W143 HydrophobicContact CD2-CE3 3.94Å; Y130-W143 AromaticContact CD2-CG 3.67Å; Y130-W143 HydrophobicContact CD2-CG 3.67Å; Y130-W143 HydrophobicContact CD2-CZ2 4.27Å; Y130-W143 HydrophobicContact CD2-CZ3 4.47Å; Y130-W143 AromaticContact CD2-NE1 3.93Å; Y130-W143 HydrophobicContact CE2-CD2 4.03Å; Y130-W143 AromaticContact CE2-CE3 3.96Å; Y130-W143 HydrophobicContact CE2-CE3 3.96Å; Y130-W143 HydrophobicContact CE2-CG 4.43Å; Y130-W143 HydrophobicContact CE2-CZ3 4.33Å
131D98.3Very high98.1Very high100 Ų10055.7 Ų55.754%0.53529%0.291SS..Hα-helixtrans-62.9-36.5179.9-70.7-23.4000112.1G128 L134 R135G128-D131 PolarHBondContact O-N 2.77Å; D131-L134 PolarHBondContact O-N 2.97Å; D131-R135 VanDerWaalsContact O-CB 3.29Å; D131-R135 WeakPolarHBondContact O-CB 3.41Å; D131-R135 PolarHBondContact O-N 2.97Å
132E98.6Very high98.1Very high7 Ų753.2 Ų53.23%0.03328%0.282CS..Hα-helixtrans-61.1-46.5174-169.2-174.2146.500111.4S93 V94 G128 F129 Y130 R135 K136S93-E132 WeakPolarHBondContact CA-OE2 3.24Å; S93-E132 WeakPolarHBondContact CB-OE2 3.49Å; S93-E132 VanDerWaalsContact N-CD 3.34Å; S93-E132 PolarHBondContact N-OE1 2.79Å; S93-E132 PolarHBondContact N-OE2 3.04Å; S93-E132 PolarHBondContact OG-OE2 2.99Å; V94-E132 WeakPolarHBondContact CB-OE1 3.43Å; V94-E132 HydrophobicContact CG2-CG 4.06Å; V94-E132 WeakPolarHBondContact CG2-OE1 3.24Å; V94-E132 PolarHBondContact N-OE1 2.93Å; G128-E132 WeakPolarHBondContact O-CB 3.48Å; G128-E132 PolarHBondContact O-N 3.21Å; F129-E132 PolarHBondContact O-N 3.47Å; Y130-E132 VanDerWaalsContact C-N 3.29Å; Y130-E132 PolarHBondContact O-N 2.8Å; E132-R135 PolarHBondContact O-N 3.23Å; E132-K136 HydrophobicContact CG-CD 4.01Å; E132-K136 WeakPolarHBondContact O-CB 3.12Å; E132-K136 WeakPolarHBondContact O-CG 3.04Å; E132-K136 PolarHBondContact O-N 3.28Å; E132-K136 IonicContact OE1-NZ 2.62Å; E132-K136 PolarHBondContact OE1-NZ 2.85Å
133C98.8Very high98.2Very high0 Ų050.7 Ų50.70%027%0.268CS..Hα-helixtrans-61.1-46.8176.2-70.60000111.6F129 Y130 R135 K136 Y137 W143F129-C133 PolarHBondContact O-N 2.89Å; F129-C133 PolarHBondContact O-SG 3.15Å; Y130-C133 WeakPolarHBondContact O-CB 3.23Å; Y130-C133 PolarHBondContact O-N 3.02Å; Y130-C133 VanDerWaalsContact O-N 3.15Å; C133-R135 VanDerWaalsContact C-N 3.33Å; C133-R135 PolarHBondContact O-N 3.08Å; C133-K136 PolarHBondContact O-N 2.91Å; C133-Y137 WeakPolarHBondContact O-CB 3.39Å; C133-Y137 WeakPolarHBondContact O-CD2 3.2Å; C133-Y137 PolarHBondContact O-N 3.42Å; C133-W143 HydrophobicContact CB-CB 3.86Å
134L98.3Very high98.2Very high58 Ų5854.4 Ų54.430%0.30428%0.283SS..Hα-helixtrans-60.3-44.1178.2-90.479.6000111.5Y130 D131 K136 G138 A140Y130-L134 HydrophobicContact CD1-CD1 3.75Å; Y130-L134 HydrophobicContact CD2-CD1 3.92Å; Y130-L134 HydrophobicContact CE1-CD1 3.43Å; Y130-L134 VanDerWaalsContact CE1-CD1 3.43Å; Y130-L134 HydrophobicContact CE1-CD2 3.9Å; Y130-L134 HydrophobicContact CE1-CG 4.32Å; Y130-L134 HydrophobicContact CE2-CD1 3.62Å; Y130-L134 HydrophobicContact CG-CD1 3.98Å; Y130-L134 WeakPolarHBondContact O-CD1 3.39Å; Y130-L134 PolarHBondContact O-N 2.84Å; D131-L134 PolarHBondContact O-N 2.97Å; L134-K136 VanDerWaalsContact C-N 3.35Å; L134-K136 PolarHBondContact O-N 3.47Å; L134-G138 WeakPolarHBondContact O-CA 3.25Å; L134-G138 PolarHBondContact O-N 3.38Å; L134-A140 HydrophobicContact CD1-CB 4.21Å
135R98.5Very high98.2Very high166 Ų16656.3 Ų56.363%0.62629%0.291SS*.Hα-helixtrans-64.4-38178.9-178.4175.956.478.9-3.6112.6D131 E132 C133D131-R135 VanDerWaalsContact O-CB 3.29Å; D131-R135 WeakPolarHBondContact O-CB 3.41Å; D131-R135 PolarHBondContact O-N 2.97Å; E132-R135 PolarHBondContact O-N 3.23Å; C133-R135 VanDerWaalsContact C-N 3.33Å; C133-R135 PolarHBondContact O-N 3.08Å
136K98.4Very high98.3Very high34 Ų3451.7 Ų51.715%0.14827%0.269CS..Hα-helixtrans-85.1-27.9-175.2-78.9-176.4177.7173.70114.5Q22 Y91 V94 E95 E132 C133 L134Q22-K136 PolarHBondContact NE2-O 3.16Å; Q22-K136 VanDerWaalsContact OE1-CB 3.31Å; Q22-K136 VanDerWaalsContact OE1-CG 3.29Å; Y91-K136 PolarHBondContact O-NZ 3.33Å; V94-K136 HydrophobicContact CB-CD 3.97Å; V94-K136 HydrophobicContact CG1-CD 4.27Å; V94-K136 HydrophobicContact CG2-CD 3.96Å; E95-K136 WeakPolarHBondContact OE1-CE 3.33Å; E95-K136 IonicContact OE1-NZ 3.08Å; E95-K136 PolarHBondContact OE1-NZ 3.27Å; E95-K136 IonicContact OE2-NZ 3.43Å; E95-K136 PolarHBondContact OE2-NZ 3.08Å; E132-K136 HydrophobicContact CG-CD 4.01Å; E132-K136 WeakPolarHBondContact O-CB 3.12Å; E132-K136 WeakPolarHBondContact O-CG 3.04Å; E132-K136 PolarHBondContact O-N 3.28Å; E132-K136 IonicContact OE1-NZ 2.62Å; E132-K136 PolarHBondContact OE1-NZ 2.85Å; C133-K136 PolarHBondContact O-N 2.91Å; L134-K136 VanDerWaalsContact C-N 3.35Å; L134-K136 PolarHBondContact O-N 3.47Å
137Y98.6Very high98.4Very high31 Ų3146.8 Ų46.812%0.12224%0.24CC..Hα-helixtrans-120.4-8.8-174.4-62.8-84.7000113.9Q22 L23 E25 V94 C133 N139 V142Q22-Y137 VanDerWaalsContact NE2-CE1 3.3Å; L23-Y137 VanDerWaalsContact O-CE1 3.23Å; L23-Y137 WeakPolarHBondContact O-CE1 3.36Å; L23-Y137 PolarHBondContact O-OH 2.85Å; L23-Y137 VanDerWaalsContact O-OH 3.13Å; E25-Y137 HydrophobicContact CB-CD1 4.3Å; V94-Y137 HydrophobicContact CG1-CE2 3.69Å; V94-Y137 VanDerWaalsContact CG1-OH 3.24Å; V94-Y137 WeakPolarHBondContact CG1-OH 3.26Å; V94-Y137 HydrophobicContact CG2-CE2 4.16Å; C133-Y137 WeakPolarHBondContact O-CB 3.39Å; C133-Y137 WeakPolarHBondContact O-CD2 3.2Å; C133-Y137 PolarHBondContact O-N 3.42Å; Y137-N139 PolarHBondContact O-N 3.24Å; Y137-N139 PolarHBondContact O-ND2 3.24Å; Y137-V142 HydrophobicContact CD1-CG2 3.62Å; Y137-V142 HydrophobicContact CD2-CB 3.8Å; Y137-V142 HydrophobicContact CD2-CG1 3.92Å; Y137-V142 HydrophobicContact CD2-CG2 3.77Å; Y137-V142 HydrophobicContact CE1-CG2 3.76Å; Y137-V142 HydrophobicContact CE2-CB 3.97Å; Y137-V142 HydrophobicContact CE2-CG1 3.58Å; Y137-V142 HydrophobicContact CE2-CG2 3.92Å; Y137-V142 HydrophobicContact CG-CB 4.1Å; Y137-V142 HydrophobicContact CG-CG2 3.61Å
138G98.4Very high98.5Very high70 Ų7043.7 Ų43.772%0.72223%0.23SC*.SBendtrans73.71.6179.700000114.6L134L134-G138 WeakPolarHBondContact O-CA 3.25Å; L134-G138 PolarHBondContact O-N 3.38Å
139N98.4Very high98.7Very high51 Ų5142.6 Ų42.627%0.27322%0.218SC..SBendtrans-154.2175.1179.37167.5000111E25 Y137 N141E25-N139 PolarHBondContact OE2-ND2 2.84Å; E25-N139 PolarHBondContact OE2-OD1 3.25Å; Y137-N139 PolarHBondContact O-N 3.24Å; Y137-N139 PolarHBondContact O-ND2 3.24Å; N139-N141 WeakPolarHBondContact OD1-CB 3.39Å; N139-N141 VanDerWaalsContact OD1-CG 3.23Å; N139-N141 PolarHBondContact OD1-N 3.03Å; N139-N141 PolarHBondContact OD1-ND2 3.01Å
140A98.2Very high98.7Very high35 Ų3542.7 Ų42.729%0.28922%0.218SC..SBendtrans-93.84.4-175.200000115Y130 L134 V142 W143 K144Y130-A140 HydrophobicContact CE2-CB 4.19Å; L134-A140 HydrophobicContact CD1-CB 4.21Å; A140-V142 PolarHBondContact O-N 2.93Å; A140-W143 PolarHBondContact O-N 3.25Å; A140-K144 PolarHBondContact O-N 3.39Å
141N98.8Very high98.7Very high66 Ų6640.4 Ų40.435%0.35321%0.211SC..Hα-helixtrans-64.6-43.3-173.5-67.6-20.9000112.1E25 N139 W143 K144 Y145E25-N141 HydrophobicContact CG-CB 4.32Å; E25-N141 WeakPolarHBondContact OE1-CB 3.39Å; E25-N141 PolarHBondContact OE1-ND2 3.35Å; N139-N141 WeakPolarHBondContact OD1-CB 3.39Å; N139-N141 VanDerWaalsContact OD1-CG 3.23Å; N139-N141 PolarHBondContact OD1-N 3.03Å; N139-N141 PolarHBondContact OD1-ND2 3.01Å; N141-W143 PolarHBondContact O-N 3.08Å; N141-K144 CarbonylContact O-C 3.55Å; N141-K144 WeakPolarHBondContact O-CB 3.45Å; N141-K144 PolarHBondContact O-N 2.85Å; N141-K144 VanDerWaalsContact O-N 3.15Å; N141-Y145 HydrophobicContact CB-CE2 3.98Å; N141-Y145 WeakPolarHBondContact O-CD1 3.3Å; N141-Y145 WeakPolarHBondContact O-CD2 3.39Å; N141-Y145 PolarHBondContact O-N 3.43Å
142V98.9Very high98.7Very high0 Ų038.8 Ų38.80%020%0.198CC..Hα-helixtrans-62.9-42.6178.6168.80000111.8E25 V28 Y137 A140 K144 Y145 F146E25-V142 HydrophobicContact CB-CG2 4.11Å; E25-V142 HydrophobicContact CG-CG2 3.96Å; V28-V142 HydrophobicContact CB-CG2 4.43Å; V28-V142 HydrophobicContact CG1-CG1 4.07Å; V28-V142 HydrophobicContact CG1-CG2 4.4Å; Y137-V142 HydrophobicContact CD1-CG2 3.62Å; Y137-V142 HydrophobicContact CD2-CB 3.8Å; Y137-V142 HydrophobicContact CD2-CG1 3.92Å; Y137-V142 HydrophobicContact CD2-CG2 3.77Å; Y137-V142 HydrophobicContact CE1-CG2 3.76Å; Y137-V142 HydrophobicContact CE2-CB 3.97Å; Y137-V142 HydrophobicContact CE2-CG1 3.58Å; Y137-V142 HydrophobicContact CE2-CG2 3.92Å; Y137-V142 HydrophobicContact CG-CB 4.1Å; Y137-V142 HydrophobicContact CG-CG2 3.61Å; A140-V142 PolarHBondContact O-N 2.93Å; V142-K144 VanDerWaalsContact C-N 3.29Å; V142-K144 PolarHBondContact O-N 2.91Å; V142-Y145 PolarHBondContact O-N 3.24Å; V142-F146 HydrophobicContact CG1-CD2 3.65Å; V142-F146 HydrophobicContact CG1-CE2 3.62Å; V142-F146 WeakPolarHBondContact O-CD2 3.41Å; V142-F146 PolarHBondContact O-N 2.87Å
143W98.9Very high98.7Very high34 Ų3438.7 Ų38.713%0.12920%0.197CC..Hα-helixtrans-58.6-43.4173.2171.380.5000111.3R121 T124 Q125 F129 Y130 C133 A140 N141 F146 T147R121-W143 HydrophobicContact CB-CH2 4.39Å; R121-W143 HydrophobicContact CB-CZ2 3.97Å; R121-W143 HydrophobicContact CG-CH2 4.34Å; R121-W143 HydrophobicContact CG-CZ2 4.09Å; T124-W143 PolarHBondContact OG1-NE1 3.44Å; Q125-W143 HydrophobicContact CG-CH2 4.35Å; Q125-W143 HydrophobicContact CG-CZ2 3.73Å; F129-W143 AromaticContact CD1-CD1 3.89Å; Y130-W143 HydrophobicContact CD2-CB 4.33Å; Y130-W143 AromaticContact CD2-CD1 3.92Å; Y130-W143 AromaticContact CD2-CD2 3.51Å; Y130-W143 HydrophobicContact CD2-CD2 3.51Å; Y130-W143 AromaticContact CD2-CE2 3.7Å; Y130-W143 AromaticContact CD2-CE3 3.94Å; Y130-W143 HydrophobicContact CD2-CE3 3.94Å; Y130-W143 AromaticContact CD2-CG 3.67Å; Y130-W143 HydrophobicContact CD2-CG 3.67Å; Y130-W143 HydrophobicContact CD2-CZ2 4.27Å; Y130-W143 HydrophobicContact CD2-CZ3 4.47Å; Y130-W143 AromaticContact CD2-NE1 3.93Å; Y130-W143 HydrophobicContact CE2-CD2 4.03Å; Y130-W143 AromaticContact CE2-CE3 3.96Å; Y130-W143 HydrophobicContact CE2-CE3 3.96Å; Y130-W143 HydrophobicContact CE2-CG 4.43Å; Y130-W143 HydrophobicContact CE2-CZ3 4.33Å; C133-W143 HydrophobicContact CB-CB 3.86Å; A140-W143 PolarHBondContact O-N 3.25Å; N141-W143 PolarHBondContact O-N 3.08Å; W143-F146 PolarHBondContact O-N 2.8Å; W143-T147 HydrophobicContact CD2-CG2 4.29Å; W143-T147 HydrophobicContact CG-CG2 4.44Å; W143-T147 HydrophobicContact CZ2-CG2 4.16Å; W143-T147 WeakPolarHBondContact O-CB 3.47Å; W143-T147 WeakPolarHBondContact O-CG2 3.29Å; W143-T147 PolarHBondContact O-N 2.76Å; W143-T147 PolarHBondContact O-OG1 3.49Å
144K98.9Very high98.7Very high101 Ų10138.7 Ų38.744%0.43920%0.197SC..Hα-helixtrans-61.8-44.3175177168.2174.948.20112.1A140 N141 V142 F146 T147 D148A140-K144 PolarHBondContact O-N 3.39Å; N141-K144 CarbonylContact O-C 3.55Å; N141-K144 WeakPolarHBondContact O-CB 3.45Å; N141-K144 PolarHBondContact O-N 2.85Å; N141-K144 VanDerWaalsContact O-N 3.15Å; V142-K144 VanDerWaalsContact C-N 3.29Å; V142-K144 PolarHBondContact O-N 2.91Å; K144-F146 VanDerWaalsContact C-N 3.34Å; K144-F146 PolarHBondContact O-N 2.89Å; K144-T147 WeakPolarHBondContact CA-OG1 3.36Å; K144-T147 PolarHBondContact O-N 3.09Å; K144-T147 PolarHBondContact O-OG1 2.77Å; K144-D148 WeakPolarHBondContact CG-OD2 3.13Å; K144-D148 IonicContact NZ-OD1 2.84Å; K144-D148 PolarHBondContact NZ-OD1 3.23Å; K144-D148 IonicContact NZ-OD2 3.15Å; K144-D148 PolarHBondContact NZ-OD2 2.99Å; K144-D148 VanDerWaalsContact O-CB 3.27Å; K144-D148 WeakPolarHBondContact O-CB 3.34Å; K144-D148 PolarHBondContact O-N 3.21Å
145Y98.9Very high98.8Very high41 Ų4135.9 Ų35.916%0.16118%0.183CC..Hα-helixtrans-63.3-39.5-179.6-59.6-27.1000112.7E25 V28 K29 N141 V142 L149E25-Y145 HydrophobicContact CG-CE2 3.98Å; V28-Y145 HydrophobicContact CG1-CD2 4.45Å; K29-Y145 HydrophobicContact CB-CD2 3.8Å; K29-Y145 HydrophobicContact CB-CE2 3.58Å; K29-Y145 HydrophobicContact CB-CG 4.46Å; K29-Y145 HydrophobicContact CD-CE1 4.37Å; K29-Y145 HydrophobicContact CD-CE2 4.18Å; K29-Y145 HydrophobicContact CG-CD2 4.25Å; K29-Y145 HydrophobicContact CG-CE1 4.2Å; K29-Y145 HydrophobicContact CG-CE2 3.91Å; N141-Y145 HydrophobicContact CB-CE2 3.98Å; N141-Y145 WeakPolarHBondContact O-CD1 3.3Å; N141-Y145 WeakPolarHBondContact O-CD2 3.39Å; N141-Y145 PolarHBondContact O-N 3.43Å; V142-Y145 PolarHBondContact O-N 3.24Å; Y145-L149 WeakPolarHBondContact O-CB 3.43Å; Y145-L149 PolarHBondContact O-N 3.47Å
146F98.9Very high98.8Very high0 Ų028 Ų280%015%0.153CC..Hα-helixtrans-72.9-45.3175.7-79.8-61.3000112.6V28 V97 T98 F129 V142 W143 K144 D148 L149 F150V28-F146 HydrophobicContact CG1-CD2 4.15Å; V28-F146 HydrophobicContact CG1-CE1 4.45Å; V28-F146 HydrophobicContact CG1-CE2 3.51Å; V28-F146 HydrophobicContact CG1-CZ 3.67Å; V28-F146 HydrophobicContact CG2-CE2 4.48Å; V97-F146 HydrophobicContact CG1-CD1 3.99Å; V97-F146 HydrophobicContact CG1-CD2 4.33Å; V97-F146 HydrophobicContact CG1-CE1 3.79Å; V97-F146 HydrophobicContact CG1-CE2 4.11Å; V97-F146 HydrophobicContact CG1-CG 4.28Å; V97-F146 HydrophobicContact CG1-CZ 3.86Å; V97-F146 HydrophobicContact CG2-CD1 4.26Å; V97-F146 HydrophobicContact CG2-CE1 4.36Å; T98-F146 HydrophobicContact CG2-CZ 4.47Å; T98-F146 VanDerWaalsContact OG1-CZ 3.28Å; T98-F146 WeakPolarHBondContact OG1-CZ 3.46Å; F129-F146 HydrophobicContact CE1-CB 3.86Å; F129-F146 HydrophobicContact CE1-CD2 4.44Å; F129-F146 HydrophobicContact CE1-CG 4.42Å; F129-F146 HydrophobicContact CZ-CB 3.91Å; F129-F146 AromaticContact CZ-CD2 3.69Å; F129-F146 HydrophobicContact CZ-CD2 3.69Å; F129-F146 HydrophobicContact CZ-CE2 4.49Å; F129-F146 AromaticContact CZ-CG 3.96Å; F129-F146 HydrophobicContact CZ-CG 3.96Å; V142-F146 HydrophobicContact CG1-CD2 3.65Å; V142-F146 HydrophobicContact CG1-CE2 3.62Å; V142-F146 WeakPolarHBondContact O-CD2 3.41Å; V142-F146 PolarHBondContact O-N 2.87Å; W143-F146 PolarHBondContact O-N 2.8Å; K144-F146 VanDerWaalsContact C-N 3.34Å; K144-F146 PolarHBondContact O-N 2.89Å; F146-D148 VanDerWaalsContact C-N 3.31Å; F146-D148 PolarHBondContact O-N 3.33Å; F146-L149 HydrophobicContact CD1-CD2 4.36Å; F146-L149 CarbonylContact O-C 3.14Å; F146-L149 WeakPolarHBondContact O-CA 3.2Å; F146-L149 VanDerWaalsContact O-CB 3.31Å; F146-L149 WeakPolarHBondContact O-CB 3.46Å; F146-L149 PolarHBondContact O-N 2.85Å; F146-F150 HydrophobicContact CB-CE1 4.14Å; F146-F150 HydrophobicContact CB-CE2 4.35Å; F146-F150 HydrophobicContact CB-CZ 3.87Å; F146-F150 HydrophobicContact CD1-CE1 4.43Å; F146-F150 WeakPolarHBondContact O-CD1 3.29Å; F146-F150 WeakPolarHBondContact O-CG 3.3Å; F146-F150 PolarHBondContact O-N 2.84Å
147T98.9Very high98.8Very high1 Ų126.4 Ų26.41%0.00615%0.146CC..Hα-helixtrans-65.2-34.5178.650.90000112.8R121 W143 K144 L149 F150R121-T147 HydrophobicContact CG-CG2 3.8Å; R121-T147 PolarHBondContact NH2-O 3.08Å; W143-T147 HydrophobicContact CD2-CG2 4.29Å; W143-T147 HydrophobicContact CG-CG2 4.44Å; W143-T147 HydrophobicContact CZ2-CG2 4.16Å; W143-T147 WeakPolarHBondContact O-CB 3.47Å; W143-T147 WeakPolarHBondContact O-CG2 3.29Å; W143-T147 PolarHBondContact O-N 2.76Å; W143-T147 PolarHBondContact O-OG1 3.49Å; K144-T147 WeakPolarHBondContact CA-OG1 3.36Å; K144-T147 PolarHBondContact O-N 3.09Å; K144-T147 PolarHBondContact O-OG1 2.77Å; T147-L149 VanDerWaalsContact C-N 3.29Å; T147-L149 PolarHBondContact O-N 3.16Å; T147-F150 HydrophobicContact CG2-CD2 4.09Å; T147-F150 HydrophobicContact CG2-CE2 4.22Å; T147-F150 PolarHBondContact O-N 2.81Å
148D98.9Very high98.8Very high33 Ų3325.2 Ų25.218%0.17614%0.141CC..Hα-helixtrans-68.6-26.3170.3-66.4-13.2000112.6K36 R121 K144 F146 Y152K36-D148 WeakPolarHBondContact CE-O 3Å; R121-D148 IonicContact CZ-OD1 3.89Å; R121-D148 IonicContact NH2-OD1 3.65Å; R121-D148 PolarHBondContact NH2-OD1 3Å; K144-D148 WeakPolarHBondContact CG-OD2 3.13Å; K144-D148 IonicContact NZ-OD1 2.84Å; K144-D148 PolarHBondContact NZ-OD1 3.23Å; K144-D148 IonicContact NZ-OD2 3.15Å; K144-D148 PolarHBondContact NZ-OD2 2.99Å; K144-D148 VanDerWaalsContact O-CB 3.27Å; K144-D148 WeakPolarHBondContact O-CB 3.34Å; K144-D148 PolarHBondContact O-N 3.21Å; F146-D148 VanDerWaalsContact C-N 3.31Å; F146-D148 PolarHBondContact O-N 3.33Å; D148-Y152 WeakPolarHBondContact O-CD2 3.39Å; D148-Y152 WeakPolarHBondContact O-CE2 3.45Å
149L98.9Very high98.8Very high1 Ų121.9 Ų21.91%0.00511%0.107CC..Hα-helixtrans-76.4-37172.9172.766.1000111.4C32 A35 K36 L39 V101 Y145 F146 T147 D151 Y152C32-L149 HydrophobicContact CB-CB 4.32Å; C32-L149 HydrophobicContact CB-CD2 4.3Å; A35-L149 HydrophobicContact CB-CD1 3.56Å; A35-L149 HydrophobicContact CB-CD2 4.07Å; A35-L149 HydrophobicContact CB-CG 4.49Å; K36-L149 HydrophobicContact CG-CD1 3.78Å; L39-L149 HydrophobicContact CD1-CD1 3.69Å; L39-L149 HydrophobicContact CD1-CG 4.47Å; V101-L149 HydrophobicContact CB-CD2 4.46Å; V101-L149 HydrophobicContact CG1-CD2 3.79Å; V101-L149 HydrophobicContact CG2-CD2 3.76Å; Y145-L149 WeakPolarHBondContact O-CB 3.43Å; Y145-L149 PolarHBondContact O-N 3.47Å; F146-L149 HydrophobicContact CD1-CD2 4.36Å; F146-L149 CarbonylContact O-C 3.14Å; F146-L149 WeakPolarHBondContact O-CA 3.2Å; F146-L149 VanDerWaalsContact O-CB 3.31Å; F146-L149 WeakPolarHBondContact O-CB 3.46Å; F146-L149 PolarHBondContact O-N 2.85Å; T147-L149 VanDerWaalsContact C-N 3.29Å; T147-L149 PolarHBondContact O-N 3.16Å; L149-D151 PolarHBondContact O-N 3.41Å; L149-Y152 WeakPolarHBondContact O-CB 3.43Å; L149-Y152 PolarHBondContact O-N 2.91Å
150F98.9Very high98.8Very high2 Ų222 Ų221%0.00911%0.108CC..Hα-helixtrans-58.1-31.6-178.3-65.8-17.1000113V87 V97 R115 E119 T124 F129 F146 T147 Y152 L153V87-F150 HydrophobicContact CG1-CZ 4.13Å; V87-F150 HydrophobicContact CG2-CE2 4.48Å; V87-F150 HydrophobicContact CG2-CZ 4.49Å; V97-F150 HydrophobicContact CG2-CE1 3.83Å; V97-F150 HydrophobicContact CG2-CZ 4.17Å; R115-F150 WeakPolarHBondContact CD-O 3.49Å; R115-F150 PolarHBondContact NE-O 2.8Å; E119-F150 HydrophobicContact CB-CB 3.94Å; E119-F150 HydrophobicContact CB-CD1 4.11Å; E119-F150 HydrophobicContact CB-CD2 3.77Å; E119-F150 HydrophobicContact CB-CE2 4.29Å; E119-F150 HydrophobicContact CB-CG 3.68Å; E119-F150 HydrophobicContact CG-CD1 3.8Å; E119-F150 HydrophobicContact CG-CD2 4.03Å; E119-F150 HydrophobicContact CG-CE1 3.89Å; E119-F150 HydrophobicContact CG-CE2 4.11Å; E119-F150 HydrophobicContact CG-CG 3.89Å; E119-F150 HydrophobicContact CG-CZ 4.04Å; E119-F150 WeakPolarHBondContact O-CB 3.42Å; T124-F150 HydrophobicContact CG2-CE2 4.47Å; F129-F150 HydrophobicContact CD1-CE2 4.49Å; F129-F150 HydrophobicContact CE1-CE2 4.11Å; F129-F150 HydrophobicContact CE1-CZ 4.06Å; F146-F150 HydrophobicContact CB-CE1 4.14Å; F146-F150 HydrophobicContact CB-CE2 4.35Å; F146-F150 HydrophobicContact CB-CZ 3.87Å; F146-F150 HydrophobicContact CD1-CE1 4.43Å; F146-F150 WeakPolarHBondContact O-CD1 3.29Å; F146-F150 WeakPolarHBondContact O-CG 3.3Å; F146-F150 PolarHBondContact O-N 2.84Å; T147-F150 HydrophobicContact CG2-CD2 4.09Å; T147-F150 HydrophobicContact CG2-CE2 4.22Å; T147-F150 PolarHBondContact O-N 2.81Å; F150-Y152 PolarHBondContact O-N 3Å; F150-Y152 VanDerWaalsContact O-N 3.13Å; F150-L153 HydrophobicContact CB-CD1 4.34Å; F150-L153 HydrophobicContact CD1-CD1 3.91Å; F150-L153 HydrophobicContact CG-CD1 4.45Å; F150-L153 WeakPolarHBondContact O-CB 3.24Å; F150-L153 PolarHBondContact O-N 2.91Å; F150-L153 VanDerWaalsContact O-N 3.14Å
151D98.9Very high98.8Very high18 Ų1823.8 Ų23.810%0.09612%0.118CC..THydrogen-bonded Turntrans-60.3-21.8175.2-60.5-23.6000113.4R115 R121 L149 R185 L186 Q187R115-D151 IonicContact CZ-OD1 3.85Å; R115-D151 IonicContact NH1-OD1 2.9Å; R115-D151 IonicContact NH2-OD1 2.77Å; R115-D151 PolarHBondContact NH2-OD1 2.82Å; R121-D151 IonicContact CZ-OD1 3.58Å; R121-D151 IonicContact CZ-OD2 3.83Å; R121-D151 VanDerWaalsContact CZ-OD2 3.31Å; R121-D151 VanDerWaalsContact NH1-CG 3.34Å; R121-D151 IonicContact NH1-OD1 3.37Å; R121-D151 PolarHBondContact NH1-OD1 3.43Å; R121-D151 IonicContact NH1-OD2 3.93Å; R121-D151 PolarHBondContact NH1-OD2 2.95Å; R121-D151 IonicContact NH2-OD2 2.84Å; R121-D151 PolarHBondContact NH2-OD2 3.49Å; L149-D151 PolarHBondContact O-N 3.41Å; D151-R185 VanDerWaalsContact O-O 3.08Å; D151-L186 WeakPolarHBondContact O-CD2 3.18Å; D151-Q187 VanDerWaalsContact OD1-O 3.12Å
152Y98.9Very high98.8Very high66 Ų6624.7 Ų24.726%0.25912%0.12SC..THydrogen-bonded Turntrans-91.7-14.4-179.2-68.9-103.4000113.4K36 D148 L149 F150 R185 L186K36-Y152 HydrophobicContact CB-CD1 4.36Å; K36-Y152 HydrophobicContact CB-CE1 4.38Å; K36-Y152 HydrophobicContact CB-CG 4.46Å; K36-Y152 HydrophobicContact CD-CD2 4.3Å; K36-Y152 HydrophobicContact CD-CE2 3.96Å; K36-Y152 HydrophobicContact CG-CD1 4.47Å; K36-Y152 HydrophobicContact CG-CD2 3.84Å; K36-Y152 HydrophobicContact CG-CE2 3.97Å; K36-Y152 HydrophobicContact CG-CG 4.12Å; D148-Y152 WeakPolarHBondContact O-CD2 3.39Å; D148-Y152 WeakPolarHBondContact O-CE2 3.45Å; L149-Y152 WeakPolarHBondContact O-CB 3.43Å; L149-Y152 PolarHBondContact O-N 2.91Å; F150-Y152 PolarHBondContact O-N 3Å; F150-Y152 VanDerWaalsContact O-N 3.13Å; Y152-R185 PolarHBondContact O-NE 3.5Å; Y152-R185 PolarHBondContact O-NH2 3.35Å; Y152-L186 HydrophobicContact CD1-CD2 3.73Å; Y152-L186 HydrophobicContact CD2-CD2 4.49Å; Y152-L186 HydrophobicContact CE1-CD2 4.02Å; Y152-L186 HydrophobicContact CG-CD2 3.99Å
153L98.9Very high98.8Very high4 Ų424.8 Ų24.82%0.02112%0.121CC..SBendtrans-61.6128.9-177.7-69172.7000110.6L39 Y86 I113 R115 E119 F150 R185L39-L153 HydrophobicContact CD1-CD2 3.92Å; Y86-L153 HydrophobicContact CE2-CD1 4.26Å; I113-L153 HydrophobicContact CB-CD2 4.37Å; I113-L153 HydrophobicContact CD1-CD2 3.79Å; I113-L153 HydrophobicContact CG1-CD2 3.81Å; R115-L153 HydrophobicContact CB-CB 3.73Å; R115-L153 HydrophobicContact CB-CD1 4.37Å; R115-L153 HydrophobicContact CG-CB 4.14Å; R115-L153 HydrophobicContact CG-CD1 4.25Å; E119-L153 HydrophobicContact CB-CD1 4.13Å; E119-L153 HydrophobicContact CG-CD1 3.89Å; F150-L153 HydrophobicContact CB-CD1 4.34Å; F150-L153 HydrophobicContact CD1-CD1 3.91Å; F150-L153 HydrophobicContact CG-CD1 4.45Å; F150-L153 WeakPolarHBondContact O-CB 3.24Å; F150-L153 PolarHBondContact O-N 2.91Å; F150-L153 VanDerWaalsContact O-N 3.14Å; L153-R185 VanDerWaalsContact O-CD 3.29Å; L153-R185 WeakPolarHBondContact O-CD 3.4Å
154P98.9Very high98.8Very high0 Ų023.2 Ų23.20%012%0.115CC..  trans-52.3143.1171.8-28.936.8000112.2E42 S43 Q46 L114 R115E42-P154 HydrophobicContact CB-CG 3.86Å; E42-P154 WeakPolarHBondContact OE2-CG 3.38Å; S43-P154 WeakPolarHBondContact O-CB 3.48Å; Q46-P154 HydrophobicContact CB-CB 4.13Å; Q46-P154 HydrophobicContact CB-CG 4.34Å; L114-P154 CarbonylContact C-O 3.57Å; L114-P154 WeakPolarHBondContact CA-O 3.29Å; L114-P154 HydrophobicContact CD2-CB 3.85Å; R115-P154 PolarHBondContact N-O 3.18Å
155L98.9Very high98.8Very high0 Ų018.4 Ų18.40%09%0.094CC..SBendtrans-76.3-36.4179.8-59.7180000111.6L183 R185 M195 L198L155-L183 HydrophobicContact CD1-CB 4.5Å; L155-L183 HydrophobicContact CD1-CD1 3.98Å; L155-R185 HydrophobicContact CD1-CB 4.06Å; L155-R185 HydrophobicContact CD2-CB 4.13Å; L155-R185 HydrophobicContact CG-CB 3.97Å; L155-M195 HydrophobicContact CD1-CG 4.12Å; L155-M195 HydrophobicContact CD2-CE 4.05Å; L155-M195 HydrophobicContact CD2-CG 4.03Å; L155-M195 HydrophobicContact CD2-SD 4.47Å; L155-L198 HydrophobicContact CB-CD1 4.4Å; L155-L198 HydrophobicContact CD1-CD1 4.14Å
156T98.9Very high98.8Very high0 Ų016.4 Ų16.40%09%0.086CC..EExtended strand (participates in β ladder)trans-146.9163.8-171.669.60000110.5N44 V45 Q46 F164 C165 L166 I180 L198N44-T156 PolarHBondContact O-N 2.91Å; N44-T156 VanDerWaalsContact O-O 3.07Å; N44-T156 PolarHBondContact O-OG1 3.17Å; V45-T156 WeakPolarHBondContact CA-OG1 3.34Å; Q46-T156 PolarHBondContact N-O 2.97Å; T156-F164 HydrophobicContact CG2-CE2 3.88Å; T156-F164 HydrophobicContact CG2-CZ 3.7Å; T156-C165 CarbonylContact C-O 3.6Å; T156-C165 VanDerWaalsContact CA-O 3.29Å; T156-C165 WeakPolarHBondContact CA-O 3.35Å; T156-C165 WeakPolarHBondContact CB-O 3.24Å; T156-L166 HydrophobicContact CG2-CB 3.83Å; T156-I180 HydrophobicContact CG2-CD1 4.31Å; T156-I180 HydrophobicContact CG2-CG2 4.12Å; T156-L198 HydrophobicContact CG2-CD1 4.3Å; T156-L198 HydrophobicContact CG2-CD2 4.21Å
157A98.9Very high98.8Very high0 Ų016.4 Ų16.40%09%0.086CC..EExtended strand (participates in β ladder)trans-130.8157.3170.700000111.4Q46 V48 L81 L114 C165Q46-A157 HydrophobicContact CB-CB 4.45Å; Q46-A157 CarbonylContact O-C 3.57Å; Q46-A157 WeakPolarHBondContact O-CA 3.45Å; Q46-A157 WeakPolarHBondContact O-CB 3.4Å; V48-A157 HydrophobicContact CG2-CB 4.12Å; L81-A157 HydrophobicContact CD1-CB 3.75Å; L81-A157 HydrophobicContact CG-CB 4.4Å; L114-A157 HydrophobicContact CD1-CB 4.08Å; L114-A157 HydrophobicContact CD2-CB 4.04Å; A157-C165 HydrophobicContact CB-CB 4.27Å; A157-C165 PolarHBondContact N-O 2.8Å; A157-C165 PolarHBondContact O-N 3.3Å
158L98.9Very high98.8Very high6 Ų616.4 Ų16.43%0.0319%0.086CC..EExtended strand (participates in β ladder)trans-127.9109.6175.8-174.566000108.6V45 Q46 V48 F164 L177 L234V45-L158 HydrophobicContact CG1-CB 3.86Å; Q46-L158 PolarHBondContact O-N 3.45Å; V48-L158 PolarHBondContact N-O 2.9Å; L158-F164 HydrophobicContact CD1-CB 4.37Å; L158-L177 HydrophobicContact CD1-CD1 4.22Å; L158-L177 HydrophobicContact CD2-CD1 3.81Å; L158-L234 HydrophobicContact CD1-CD2 3.56Å
159V98.8Very high98.7Very high0 Ų014.8 Ų14.80%08%0.078CC..EExtended strand (participates in β ladder)trans-88.2117.2-179.8-170.50000109.2V48 V52 L81 S161 Q162 I163 L278 L282V48-V159 HydrophobicContact CB-CG2 4.24Å; V48-V159 HydrophobicContact CG1-CG2 4.44Å; V48-V159 CarbonylContact O-C 3.58Å; V48-V159 VanDerWaalsContact O-CA 3.28Å; V48-V159 WeakPolarHBondContact O-CA 3.37Å; V52-V159 HydrophobicContact CG1-CG1 3.78Å; V52-V159 HydrophobicContact CG1-CG2 4.31Å; L81-V159 HydrophobicContact CD1-CG2 3.7Å; V159-S161 PolarHBondContact O-N 3.18Å; V159-Q162 PolarHBondContact O-N 3.47Å; V159-I163 HydrophobicContact CB-CB 4.27Å; V159-I163 PolarHBondContact N-O 3.14Å; V159-I163 PolarHBondContact O-N 3.35Å; V159-I163 VanDerWaalsContact O-N 3.11Å; V159-L278 HydrophobicContact CB-CD1 4.35Å; V159-L278 HydrophobicContact CG1-CD1 3.93Å; V159-L278 HydrophobicContact CG2-CD1 4.42Å; V159-L282 HydrophobicContact CG1-CD2 4.08Å
160D97.9Very high98.7Very high53 Ų5315 Ų1528%0.2838%0.078SC..THydrogen-bonded Turntrans44.539-178.3-80.7-5.8000114V48 R49 C50 Q162 L282V48-D160 PolarHBondContact O-N 2.84Å; R49-D160 WeakPolarHBondContact CA-OD1 3.24Å; C50-D160 WeakPolarHBondContact CB-OD2 3.43Å; C50-D160 PolarHBondContact N-OD1 2.95Å; C50-D160 PolarHBondContact SG-OD2 3.2Å; D160-Q162 PolarHBondContact O-N 2.95Å; D160-L282 HydrophobicContact CB-CD1 3.78Å; D160-L282 HydrophobicContact CB-CD2 4.13Å; D160-L282 HydrophobicContact CB-CG 4.23Å
161S97.8Very high98.7Very high74 Ų7415 Ų1552%0.5178%0.079SC..THydrogen-bonded Turntrans58.215.3179.1-52.40000115.5V159V159-S161 PolarHBondContact O-N 3.18Å
162Q97.9Very high98.7Very high84 Ų8416.3 Ų16.339%0.3939%0.089SC..THydrogen-bonded Turntrans-126.9-37.8-174.2-75.8-174.381.500113.7V159 D160 L234 T235 L282V159-Q162 PolarHBondContact O-N 3.47Å; D160-Q162 PolarHBondContact O-N 2.95Å; Q162-L234 CarbonylContact O-C 3.56Å; Q162-L234 WeakPolarHBondContact O-CA 3.24Å; Q162-T235 HydrophobicContact CB-CG2 4.19Å; Q162-T235 HydrophobicContact CG-CG2 4.33Å; Q162-T235 PolarHBondContact O-N 2.9Å; Q162-T235 PolarHBondContact O-OG1 3.25Å; Q162-L282 HydrophobicContact CB-CD1 4.16Å; Q162-L282 HydrophobicContact CG-CD1 4.45Å
163I98.8Very high98.7Very high3 Ų316.4 Ų16.42%0.01510%0.099CC..EExtended strand (participates in β ladder)trans-107.3116.5180-55.7-179.6000108.9V159 L236 L278 L282V159-I163 HydrophobicContact CB-CB 4.27Å; V159-I163 PolarHBondContact N-O 3.14Å; V159-I163 PolarHBondContact O-N 3.35Å; V159-I163 VanDerWaalsContact O-N 3.11Å; I163-L236 WeakPolarHBondContact CA-O 3.39Å; I163-L236 HydrophobicContact CD1-CD2 4.37Å; I163-L236 HydrophobicContact CG1-CB 4.23Å; I163-L236 HydrophobicContact CG2-CB 4.18Å; I163-L236 HydrophobicContact CG2-CD2 4.07Å; I163-L236 HydrophobicContact CG2-CG 4.16Å; I163-L278 HydrophobicContact CD1-CD1 3.76Å; I163-L278 HydrophobicContact CD1-CD2 3.54Å; I163-L278 HydrophobicContact CD1-CG 4.32Å; I163-L282 HydrophobicContact CD1-CD2 3.96Å; I163-L282 HydrophobicContact CG1-CD2 4.41Å
164F98.9Very high98.7Very high0 Ų016.5 Ų16.50%010%0.099CC..EExtended strand (participates in β ladder)trans-92.6120.6178.7177.4-119.8000110.1T156 L158 L166 L170 L177 I180 F228 L234 L236 V237 S238T156-F164 HydrophobicContact CG2-CE2 3.88Å; T156-F164 HydrophobicContact CG2-CZ 3.7Å; L158-F164 HydrophobicContact CD1-CB 4.37Å; F164-L166 HydrophobicContact CD1-CD2 4.04Å; F164-L166 HydrophobicContact CE1-CD1 3.76Å; F164-L166 HydrophobicContact CE1-CD2 3.86Å; F164-L166 HydrophobicContact CE1-CG 4.29Å; F164-L166 HydrophobicContact CZ-CD1 4.13Å; F164-L170 HydrophobicContact CE1-CD2 4.37Å; F164-L177 HydrophobicContact CD2-CD2 3.67Å; F164-L177 HydrophobicContact CE2-CD2 3.6Å; F164-L177 HydrophobicContact CG-CD2 4.34Å; F164-L177 HydrophobicContact CZ-CD2 4.24Å; F164-I180 HydrophobicContact CE1-CD1 4.49Å; F164-I180 HydrophobicContact CE2-CD1 3.87Å; F164-I180 HydrophobicContact CZ-CD1 3.46Å; F164-I180 VanDerWaalsContact CZ-CD1 3.46Å; F164-F228 AromaticContact CD1-CE1 3.82Å; F164-F228 HydrophobicContact CD1-CE1 3.82Å; F164-F228 HydrophobicContact CD1-CZ 4.46Å; F164-F228 AromaticContact CE1-CE1 3.9Å; F164-F228 HydrophobicContact CE1-CE1 3.9Å; F164-F228 HydrophobicContact CE1-CZ 4.12Å; F164-L234 HydrophobicContact CB-CD1 3.57Å; F164-L234 HydrophobicContact CB-CD2 4.02Å; F164-L234 HydrophobicContact CB-CG 4.35Å; F164-L234 HydrophobicContact CD1-CD1 4.4Å; F164-L234 HydrophobicContact CG-CD1 4.11Å; F164-L236 PolarHBondContact N-O 3.23Å; F164-V237 HydrophobicContact CD1-CG1 4.23Å; F164-V237 HydrophobicContact CD1-CG2 4.31Å; F164-V237 CarbonylContact O-C 3.6Å; F164-V237 WeakPolarHBondContact O-CA 3.46Å; F164-S238 PolarHBondContact O-N 3.41Å
165C98.9Very high98.6Very high0 Ų021.6 Ų21.60%013%0.127CC..EExtended strand (participates in β ladder)trans-112.6133.7-176.3-58.60000111.3L81 M83 L114 T156 A157 S238L81-C165 HydrophobicContact CD1-CB 4.08Å; L81-C165 HydrophobicContact CD2-CB 4.05Å; M83-C165 HydrophobicContact SD-CB 4.26Å; L114-C165 HydrophobicContact CD1-CB 4.47Å; T156-C165 CarbonylContact C-O 3.6Å; T156-C165 VanDerWaalsContact CA-O 3.29Å; T156-C165 WeakPolarHBondContact CA-O 3.35Å; T156-C165 WeakPolarHBondContact CB-O 3.24Å; A157-C165 HydrophobicContact CB-CB 4.27Å; A157-C165 PolarHBondContact N-O 2.8Å; A157-C165 PolarHBondContact O-N 3.3Å; C165-S238 VanDerWaalsContact CA-O 3.24Å; C165-S238 WeakPolarHBondContact CA-O 3.24Å
166L98.9Very high98.6Very high0 Ų023.8 Ų23.80%014%0.14CC..EExtended strand (participates in β ladder)trans-157.2164.6177.372.1176.3000110.7T156 F164 G169 L198 V237 S238 R239T156-L166 HydrophobicContact CG2-CB 3.83Å; F164-L166 HydrophobicContact CD1-CD2 4.04Å; F164-L166 HydrophobicContact CE1-CD1 3.76Å; F164-L166 HydrophobicContact CE1-CD2 3.86Å; F164-L166 HydrophobicContact CE1-CG 4.29Å; F164-L166 HydrophobicContact CZ-CD1 4.13Å; L166-G169 VanDerWaalsContact CD1-O 3.27Å; L166-G169 WeakPolarHBondContact CD1-O 3.44Å; L166-L198 HydrophobicContact CD1-CD2 3.77Å; L166-V237 HydrophobicContact CD2-CG1 3.5Å; L166-S238 PolarHBondContact N-O 2.78Å; L166-S238 VanDerWaalsContact N-O 3.17Å; L166-R239 HydrophobicContact CD2-CB 3.92Å; L166-R239 WeakPolarHBondContact O-CA 3.5Å; L166-R239 WeakPolarHBondContact O-CB 3.49Å
167H98.9Very high98.6Very high0 Ų024.4 Ų24.40%014%0.143CC..SBendtrans-70.4-63.1177.9-17056.3000112.2D57 M83 D85 G116 N117 L199 R239 A240 H241D57-H167 IonicContact OD1-CE1 2.94Å; D57-H167 IonicContact OD2-CE1 3.68Å; M83-H167 WeakPolarHBondContact O-CA 3.31Å; M83-H167 WeakPolarHBondContact O-CB 3.43Å; M83-H167 PolarHBondContact O-ND1 2.88Å; D85-H167 IonicContact OD1-CD2 3.18Å; D85-H167 IonicContact OD1-CE1 2.75Å; D85-H167 IonicContact OD1-NE2 2.63Å; D85-H167 PolarHBondContact OD1-NE2 2.91Å; D85-H167 VanDerWaalsContact OD1-NE2 3.14Å; D85-H167 IonicContact OD2-CE1 2.81Å; D85-H167 PolarHBondContact OD2-CE1 2.84Å; D85-H167 IonicContact OD2-NE2 3.57Å; D85-H167 PolarHBondContact OD2-NE2 3.19Å; G116-H167 VanDerWaalsContact CA-CD2 3.46Å; G116-H167 WeakPolarHBondContact CA-CD2 3.48Å; G116-H167 VanDerWaalsContact CA-CG 3.49Å; N117-H167 PolarHBondContact N-CD2 3Å; N117-H167 PolarHBondContact OD1-CD2 3.02Å; N117-H167 VanDerWaalsContact OD1-CD2 3.25Å; N117-H167 PolarHBondContact OD1-NE2 3Å; H167-L199 HydrophobicContact CB-CD2 4.21Å; H167-L199 PolarHBondContact CD2-O 3.4Å; H167-R239 PolarHBondContact O-NE 2.66Å; H167-R239 PolarHBondContact O-NH2 3.15Å; H167-A240 CarbonylContact O-C 3.03Å; H167-A240 PolarHBondContact O-N 3.15Å; H167-H241 AromaticContact CD2-ND1 3.84Å; H167-H241 AromaticContact NE2-CG 3.84Å; H167-H241 AromaticContact NE2-ND1 3.35Å; H167-H241 PolarHBondContact NE2-ND1 3.35Å
168G98.8Very high98.6Very high0 Ų029.2 Ų29.20%017%0.169CC..SBendtrans-77.7-116.3-176.600000111.7L198 S201 R239G168-L198 WeakPolarHBondContact CA-O 3.42Å; G168-L198 PolarHBondContact N-O 3.44Å; G168-S201 CarbonylContact C-O 3.48Å; G168-R239 WeakPolarHBondContact O-CB 3.14Å; G168-R239 PolarHBondContact O-NE 3.37Å; G168-R239 PolarHBondContact O-NH2 3.21Å
169G98.6Very high98.6Very high0 Ų032.7 Ų32.70%019%0.185CC..  trans-160.2-163.1-173.900000112.6L166 L198 S201L166-G169 VanDerWaalsContact CD1-O 3.27Å; L166-G169 WeakPolarHBondContact CD1-O 3.44Å; G169-L198 PolarHBondContact N-O 2.82Å; G169-L198 WeakPolarHBondContact O-CA 3.5Å; G169-S201 PolarHBondContact N-O 2.98Å
170L98.9Very high98.6Very high4 Ų432.7 Ų32.72%0.02119%0.185CC..  trans-73.6158.8-175.6-54.6-179.5000111.3F164 S201 W209 F220 I224 F228F164-L170 HydrophobicContact CE1-CD2 4.37Å; L170-S201 VanDerWaalsContact O-CB 3.28Å; L170-S201 WeakPolarHBondContact O-CB 3.33Å; L170-S201 PolarHBondContact O-OG 2.99Å; L170-W209 HydrophobicContact CB-CH2 3.71Å; L170-W209 HydrophobicContact CB-CZ3 4.27Å; L170-W209 WeakPolarHBondContact O-CZ3 3.47Å; L170-F220 HydrophobicContact CB-CD1 4.37Å; L170-F220 HydrophobicContact CB-CD2 4.35Å; L170-F220 HydrophobicContact CB-CG 4.24Å; L170-F220 HydrophobicContact CD1-CD2 3.93Å; L170-F220 HydrophobicContact CD1-CE2 4.04Å; L170-F220 HydrophobicContact CG-CD2 4.14Å; L170-F220 HydrophobicContact CG-CE2 4.03Å; L170-F220 HydrophobicContact CG-CZ 4.32Å; L170-I224 HydrophobicContact CD1-CG2 4.02Å; L170-F228 HydrophobicContact CD1-CB 3.75Å; L170-F228 HydrophobicContact CD1-CD1 4.32Å; L170-F228 HydrophobicContact CD1-CG 4.01Å; L170-F228 HydrophobicContact CD2-CB 4.49Å; L170-F228 HydrophobicContact CD2-CD1 3.63Å; L170-F228 HydrophobicContact CD2-CD2 4.19Å; L170-F228 HydrophobicContact CD2-CE1 3.78Å; L170-F228 HydrophobicContact CD2-CE2 4.33Å; L170-F228 HydrophobicContact CD2-CG 3.84Å; L170-F228 HydrophobicContact CD2-CZ 4.13Å
171S98.8Very high98.7Very high2 Ų234.6 Ų34.61%0.01419%0.188CC..  trans-122.4140.7177174.50000110.7S173 I174 D197 W209S171-S173 PolarHBondContact O-N 2.85Å; S171-S173 VanDerWaalsContact O-N 3.13Å; S171-S173 PolarHBondContact OG-N 2.85Å; S171-I174 PolarHBondContact O-N 2.82Å; S171-I174 VanDerWaalsContact O-N 3.08Å; S171-D197 VanDerWaalsContact CB-CB 3.44Å; S171-D197 WeakPolarHBondContact CB-OD2 3.45Å; S171-D197 PolarHBondContact OG-OD2 2.76Å; S171-W209 WeakPolarHBondContact O-CH2 3.36Å
172P98.4Very high98.7Very high47 Ų4735.2 Ų35.231%0.30520%0.197SC..THydrogen-bonded Turntrans-65.5-11.6171.128.3-35000113.1W209 Y218P172-W209 HydrophobicContact CB-CD2 4Å; P172-W209 HydrophobicContact CB-CE3 4.45Å; P172-W209 HydrophobicContact CB-CG 4.37Å; P172-W209 HydrophobicContact CB-CZ2 4.09Å; P172-W209 HydrophobicContact CG-CD2 4.49Å; P172-W209 VanDerWaalsContact N-CH2 3.32Å; P172-Y218 VanDerWaalsContact CD-CD2 3.48Å; P172-Y218 HydrophobicContact CG-CD1 4.35Å; P172-Y218 HydrophobicContact CG-CD2 3.73Å; P172-Y218 HydrophobicContact CG-CE1 4.22Å; P172-Y218 HydrophobicContact CG-CE2 3.58Å; P172-Y218 HydrophobicContact CG-CG 4.13Å
173S98.3Very high98.7Very high68 Ų6833 Ų3348%0.47619%0.188SC..THydrogen-bonded Turntrans-92.1-0.9176-55.50000113.2S171S171-S173 PolarHBondContact O-N 2.85Å; S171-S173 VanDerWaalsContact O-N 3.13Å; S171-S173 PolarHBondContact OG-N 2.85Å
174I98.6Very high98.7Very high6 Ų637.9 Ų37.93%0.03121%0.214CC..  trans-131.2100.6-171.4-59172.4000109.7S171 H179 I180 L183 P194 L198 F228S171-I174 PolarHBondContact O-N 2.82Å; S171-I174 VanDerWaalsContact O-N 3.08Å; I174-H179 HydrophobicContact CG2-CB 4.17Å; I174-I180 HydrophobicContact CD1-CG1 4.2Å; I174-I180 HydrophobicContact CG2-CD1 3.94Å; I174-I180 HydrophobicContact CG2-CG1 3.46Å; I174-I180 VanDerWaalsContact CG2-CG1 3.46Å; I174-L183 HydrophobicContact CD1-CD1 4.48Å; I174-P194 HydrophobicContact CD1-CB 3.68Å; I174-P194 HydrophobicContact CG1-CB 3.79Å; I174-L198 HydrophobicContact CD1-CD1 3.68Å; I174-L198 HydrophobicContact CD1-CD2 3.79Å; I174-L198 HydrophobicContact CD1-CG 3.6Å; I174-F228 HydrophobicContact CG2-CE2 4.29Å
175D98.4Very high98.7Very high107 Ų10738.8 Ų38.857%0.57222%0.218SC*.SBendtrans-89.6-30.1173.4-54-54.9000112.8H179 N232D175-H179 PolarHBondContact N-ND1 2.79Å; D175-H179 IonicContact OD2-CE1 3.65Å; D175-N232 PolarHBondContact O-ND2 2.84Å
176T98.8Very high98.7Very high45 Ų4542.5 Ų42.528%0.27624%0.237SC..SBendtrans-130.6154.9-172.969.30000112.9D178 H179 N232T176-D178 PolarHBondContact O-N 3.38Å; T176-H179 WeakPolarHBondContact O-CB 3.32Å; T176-H179 PolarHBondContact O-N 2.91Å; T176-H179 PolarHBondContact OG1-CD2 3.45Å; T176-H179 VanDerWaalsContact OG1-CD2 3.24Å; T176-H179 PolarHBondContact OG1-N 3.46Å; T176-N232 VanDerWaalsContact CA-OD1 3.23Å; T176-N232 WeakPolarHBondContact CA-OD1 3.47Å
177L98.8Very high98.7Very high13 Ų1346.5 Ų46.57%0.06826%0.256CS..Hα-helixtrans-56.9-29.4172-64.6-178.8000112.6L158 F164 H179 I180 R181 F228 N232 L234L158-L177 HydrophobicContact CD1-CD1 4.22Å; L158-L177 HydrophobicContact CD2-CD1 3.81Å; F164-L177 HydrophobicContact CD2-CD2 3.67Å; F164-L177 HydrophobicContact CE2-CD2 3.6Å; F164-L177 HydrophobicContact CG-CD2 4.34Å; F164-L177 HydrophobicContact CZ-CD2 4.24Å; L177-H179 VanDerWaalsContact C-N 3.34Å; L177-I180 HydrophobicContact CD2-CD1 4.24Å; L177-I180 WeakPolarHBondContact O-CB 3.27Å; L177-I180 PolarHBondContact O-N 3.19Å; L177-R181 WeakPolarHBondContact O-CG 3.43Å; L177-R181 PolarHBondContact O-N 3.15Å; L177-F228 HydrophobicContact CD2-CZ 4.26Å; L177-N232 HydrophobicContact CD1-CB 4.49Å; L177-N232 HydrophobicContact CG-CB 4.2Å; L177-N232 PolarHBondContact N-OD1 3.31Å; L177-L234 HydrophobicContact CD1-CD2 4.44Å
178D98.8Very high98.7Very high101 Ų10148.7 Ų48.754%0.5427%0.266SS..Hα-helixtrans-68.8-31.4177.3-72.5-30.5000112.8T176 I180 R181 A182T176-D178 PolarHBondContact O-N 3.38Å; D178-I180 PolarHBondContact O-N 3.41Å; D178-R181 PolarHBondContact O-N 3.04Å; D178-R181 IonicContact OD1-CZ 3.95Å; D178-R181 IonicContact OD1-NH1 3.8Å; D178-R181 PolarHBondContact OD1-NH1 3.48Å; D178-A182 PolarHBondContact O-N 3.02Å; D178-A182 VanDerWaalsContact O-N 3.09Å
179H98.8Very high98.6Very high80 Ų8049.2 Ų49.237%0.3727%0.269SS..Hα-helixtrans-61.2-37.7171.8-63.7178.1000110.8I174 D175 T176 L177 A182I174-H179 HydrophobicContact CG2-CB 4.17Å; D175-H179 PolarHBondContact N-ND1 2.79Å; D175-H179 IonicContact OD2-CE1 3.65Å; T176-H179 WeakPolarHBondContact O-CB 3.32Å; T176-H179 PolarHBondContact O-N 2.91Å; T176-H179 PolarHBondContact OG1-CD2 3.45Å; T176-H179 VanDerWaalsContact OG1-CD2 3.24Å; T176-H179 PolarHBondContact OG1-N 3.46Å; L177-H179 VanDerWaalsContact C-N 3.34Å; H179-A182 PolarHBondContact O-N 3.44Å
180I98.9Very high98.6Very high0 Ų051.1 Ų51.10%028%0.282CS..Hα-helixtrans-67.9-44.7176.3-49.4-177.5000110.8N44 V45 T156 F164 I174 L177 D178 A182 L183 L198N44-I180 HydrophobicContact CB-CG2 4.16Å; N44-I180 WeakPolarHBondContact CB-O 3.4Å; N44-I180 PolarHBondContact ND2-O 2.84Å; V45-I180 HydrophobicContact CG2-CB 3.64Å; V45-I180 HydrophobicContact CG2-CG2 3.65Å; T156-I180 HydrophobicContact CG2-CD1 4.31Å; T156-I180 HydrophobicContact CG2-CG2 4.12Å; F164-I180 HydrophobicContact CE1-CD1 4.49Å; F164-I180 HydrophobicContact CE2-CD1 3.87Å; F164-I180 HydrophobicContact CZ-CD1 3.46Å; F164-I180 VanDerWaalsContact CZ-CD1 3.46Å; I174-I180 HydrophobicContact CD1-CG1 4.2Å; I174-I180 HydrophobicContact CG2-CD1 3.94Å; I174-I180 HydrophobicContact CG2-CG1 3.46Å; I174-I180 VanDerWaalsContact CG2-CG1 3.46Å; L177-I180 HydrophobicContact CD2-CD1 4.24Å; L177-I180 WeakPolarHBondContact O-CB 3.27Å; L177-I180 PolarHBondContact O-N 3.19Å; D178-I180 PolarHBondContact O-N 3.41Å; I180-A182 PolarHBondContact O-N 3.2Å; I180-L183 PolarHBondContact O-N 2.76Å; I180-L183 VanDerWaalsContact O-N 3.16Å; I180-L198 HydrophobicContact CD1-CD2 4.12Å; I180-L198 HydrophobicContact CG1-CD1 4.45Å; I180-L198 HydrophobicContact CG2-CD1 3.93Å
181R98.7Very high98.5Very high93 Ų9357.4 Ų57.435%0.35131%0.31SS..Hα-helixtrans-58.6-29.4177.3-68-179.6-176.3109.62.8112.6V45 E47 L177 D178V45-R181 HydrophobicContact CB-CG 4.03Å; V45-R181 HydrophobicContact CG2-CG 3.7Å; E47-R181 IonicContact OE1-NH2 3.74Å; E47-R181 PolarHBondContact OE1-NH2 2.82Å; L177-R181 WeakPolarHBondContact O-CG 3.43Å; L177-R181 PolarHBondContact O-N 3.15Å; D178-R181 PolarHBondContact O-N 3.04Å; D178-R181 IonicContact OD1-CZ 3.95Å; D178-R181 IonicContact OD1-NH1 3.8Å; D178-R181 PolarHBondContact OD1-NH1 3.48Å
182A98.6Very high98.4Very high86 Ų8665.1 Ų65.171%0.71135%0.346SS*.THydrogen-bonded Turntrans-82-12.2-179.300000114.9D178 H179 I180D178-A182 PolarHBondContact O-N 3.02Å; D178-A182 VanDerWaalsContact O-N 3.09Å; H179-A182 PolarHBondContact O-N 3.44Å; I180-A182 PolarHBondContact O-N 3.2Å
183L98.7Very high98.4Very high39 Ų3964 Ų6420%0.20434%0.343CS..SBendtrans-66.4144.3179.1-61.2176.5000111.5N44 L155 I174 I180 R185 P194 L198N44-L183 PolarHBondContact ND2-O 3.17Å; L155-L183 HydrophobicContact CD1-CB 4.5Å; L155-L183 HydrophobicContact CD1-CD1 3.98Å; I174-L183 HydrophobicContact CD1-CD1 4.48Å; I180-L183 PolarHBondContact O-N 2.76Å; I180-L183 VanDerWaalsContact O-N 3.16Å; L183-R185 PolarHBondContact O-N 2.76Å; L183-P194 HydrophobicContact CD1-CB 4.13Å; L183-P194 HydrophobicContact CD2-CB 3.96Å; L183-P194 HydrophobicContact CD2-CG 3.59Å; L183-L198 HydrophobicContact CD1-CD1 3.95Å
184D98.5Very high98.4Very high104 Ų10462.5 Ų62.556%0.55633%0.332SS*.  trans-86.2102.9164.5-176.46.4000108.9L186 Q187D184-L186 PolarHBondContact OD1-N 3.18Å; D184-L186 VanDerWaalsContact OD1-N 3.09Å; D184-Q187 PolarHBondContact O-NE2 2.9Å
185R98.8Very high98.4Very high20 Ų2062.7 Ų62.78%0.07533%0.333CS..  trans-81.3-14.6179.873.6169.3-177.2-78.11.3113.9L39 E42 N44 D151 Y152 L153 L155 L183 Q187L39-R185 PolarHBondContact O-NH2 3.38Å; E42-R185 PolarHBondContact O-NH1 2.78Å; E42-R185 VanDerWaalsContact O-NH1 3.09Å; E42-R185 PolarHBondContact O-NH2 2.91Å; N44-R185 WeakPolarHBondContact OD1-CD 3.28Å; N44-R185 VanDerWaalsContact OD1-CG 3.27Å; N44-R185 WeakPolarHBondContact OD1-CG 3.2Å; N44-R185 PolarHBondContact OD1-NH1 2.77Å; D151-R185 VanDerWaalsContact O-O 3.08Å; Y152-R185 PolarHBondContact O-NE 3.5Å; Y152-R185 PolarHBondContact O-NH2 3.35Å; L153-R185 VanDerWaalsContact O-CD 3.29Å; L153-R185 WeakPolarHBondContact O-CD 3.4Å; L155-R185 HydrophobicContact CD1-CB 4.06Å; L155-R185 HydrophobicContact CD2-CB 4.13Å; L155-R185 HydrophobicContact CG-CB 3.97Å; L183-R185 PolarHBondContact O-N 2.76Å; R185-Q187 PolarHBondContact O-N 3.14Å
186L98.6Very high98.4Very high78 Ų7857.6 Ų57.641%0.40831%0.306SS..SBendtrans-78.753.8-169-60.1-177.4000112D151 Y152 D184D151-L186 WeakPolarHBondContact O-CD2 3.18Å; Y152-L186 HydrophobicContact CD1-CD2 3.73Å; Y152-L186 HydrophobicContact CD2-CD2 4.49Å; Y152-L186 HydrophobicContact CE1-CD2 4.02Å; Y152-L186 HydrophobicContact CG-CD2 3.99Å; D184-L186 PolarHBondContact OD1-N 3.18Å; D184-L186 VanDerWaalsContact OD1-N 3.09Å
187Q98.6Very high98.4Very high84 Ų8455.6 Ų55.639%0.39329%0.293SS..SBendtrans-151166.5-177.659.5-176-57.100109.9R115 D151 D184 R185 M195R115-Q187 PolarHBondContact NH1-O 3.08Å; D151-Q187 VanDerWaalsContact OD1-O 3.12Å; D184-Q187 PolarHBondContact O-NE2 2.9Å; R185-Q187 PolarHBondContact O-N 3.14Å; Q187-M195 HydrophobicContact CG-CE 4.49Å; Q187-M195 HydrophobicContact CG-SD 4.09Å
188E98.7Very high98.4Very high45 Ų4555 Ų5521%0.2129%0.29CS..PPolyproline II helixtrans-60.4146.4167-179.559.9-156.500110.1S120 R121 P190S120-E188 WeakPolarHBondContact CA-OE1 3.39Å; S120-E188 VanDerWaalsContact CB-OE1 3.24Å; S120-E188 WeakPolarHBondContact CB-OE1 3.46Å; S120-E188 PolarHBondContact OG-OE1 3.28Å; R121-E188 WeakPolarHBondContact CB-OE2 3.37Å; R121-E188 WeakPolarHBondContact CD-OE2 3.15Å; R121-E188 VanDerWaalsContact CG-OE2 3.24Å; R121-E188 WeakPolarHBondContact CG-OE2 3.28Å; R121-E188 IonicContact CZ-OE2 3.93Å; R121-E188 PolarHBondContact N-OE1 2.97Å; R121-E188 PolarHBondContact N-OE2 3.43Å; R121-E188 IonicContact NE-OE2 3.2Å; R121-E188 IonicContact NH1-OE2 3.7Å; R121-E188 PolarHBondContact NH1-OE2 3.2Å; E188-P190 WeakPolarHBondContact O-CD 3.48Å; E188-P190 VanDerWaalsContact O-N 3.16Å
189V98.6Very high98.4Very high11 Ų1150.2 Ų50.27%0.06727%0.265CS..PPolyproline II helixtrans-57.7119.4176.5-176.60000109.6M195 L199V189-M195 HydrophobicContact CG2-CE 4.2Å; V189-L199 HydrophobicContact CB-CD1 4.47Å; V189-L199 HydrophobicContact CG1-CD1 3.93Å; V189-L199 HydrophobicContact CG2-CD1 3.63Å
190P98.3Very high98.4Very high41 Ų4148.3 Ų48.327%0.26625%0.254SS..PPolyproline II helixtrans-65.4160.7176.7-22.435.1000112E188 E192 C196E188-P190 WeakPolarHBondContact O-CD 3.48Å; E188-P190 VanDerWaalsContact O-N 3.16Å; P190-E192 VanDerWaalsContact C-N 3.29Å; P190-E192 WeakPolarHBondContact CB-O 3.11Å; P190-E192 PolarHBondContact O-N 3.24Å; P190-C196 WeakPolarHBondContact O-CB 3.45Å; P190-C196 PolarHBondContact O-SG 2.9Å
191H95.4Very high98.4Very high135 Ų13548.3 Ų48.363%0.62525%0.254SS*.SBendtrans-71.8-23.3174.2-67.5-75.1000113.4Q122 C196Q122-H191 PolarHBondContact NE2-CE1 2.9Å; Q122-H191 VanDerWaalsContact NE2-CE1 3.29Å; Q122-H191 PolarHBondContact NE2-NE2 3.38Å; Q122-H191 PolarHBondContact OE1-CE1 2.93Å; H191-C196 PolarHBondContact O-SG 3.46Å; H191-C196 VanDerWaalsContact O-SG 3.33Å
192E97.1Very high98.4Very high164 Ų16444.1 Ų44.177%0.76624%0.239SC*.SBendtrans-147.7165.1-179.163.9-179.6-169.900111.2P190P190-E192 VanDerWaalsContact C-N 3.29Å; P190-E192 WeakPolarHBondContact CB-O 3.11Å; P190-E192 PolarHBondContact O-N 3.24Å
193G98.3Very high98.4Very high23 Ų2340.8 Ų40.824%0.23721%0.21CC..SBendtrans98.1179.5176.300000113.8M195 C196 D197G193-M195 VanDerWaalsContact C-N 3.33Å; G193-M195 PolarHBondContact O-N 3.36Å; G193-M195 VanDerWaalsContact O-N 3.17Å; G193-C196 WeakPolarHBondContact O-CA 3.18Å; G193-C196 VanDerWaalsContact O-CB 3.3Å; G193-C196 WeakPolarHBondContact O-CB 3.15Å; G193-C196 PolarHBondContact O-N 3.33Å; G193-D197 VanDerWaalsContact O-CG 3.25Å; G193-D197 PolarHBondContact O-N 3.47Å
194P98.6Very high98.4Very high38 Ų3840.3 Ų40.325%0.24721%0.208CC..Hα-helixtrans-57.7-39.6-164.718.7-32.3000114.3I174 L183 D197 L198I174-P194 HydrophobicContact CD1-CB 3.68Å; I174-P194 HydrophobicContact CG1-CB 3.79Å; L183-P194 HydrophobicContact CD1-CB 4.13Å; L183-P194 HydrophobicContact CD2-CB 3.96Å; L183-P194 HydrophobicContact CD2-CG 3.59Å; P194-D197 PolarHBondContact O-N 2.84Å; P194-L198 VanDerWaalsContact O-CG 3.29Å; P194-L198 WeakPolarHBondContact O-CG 3.36Å; P194-L198 PolarHBondContact O-N 3.09Å; P194-L198 VanDerWaalsContact O-N 3.11Å
195M98.8Very high98.3Very high9 Ų943.2 Ų43.24%0.04422%0.223CC..Hα-helixtrans-68.7-37.2177.4-180176.4169.300112.4L155 Q187 V189 G193 L199L155-M195 HydrophobicContact CD1-CG 4.12Å; L155-M195 HydrophobicContact CD2-CE 4.05Å; L155-M195 HydrophobicContact CD2-CG 4.03Å; L155-M195 HydrophobicContact CD2-SD 4.47Å; Q187-M195 HydrophobicContact CG-CE 4.49Å; Q187-M195 HydrophobicContact CG-SD 4.09Å; V189-M195 HydrophobicContact CG2-CE 4.2Å; G193-M195 VanDerWaalsContact C-N 3.33Å; G193-M195 PolarHBondContact O-N 3.36Å; G193-M195 VanDerWaalsContact O-N 3.17Å; M195-L199 WeakPolarHBondContact O-CG 3.41Å
196C98.8Very high98.2Very high0 Ų049.6 Ų49.60%025%0.247CC..Hα-helixtrans-63.7-50.1174.2179.80000109.8P190 H191 G193 L198 L199 W200P190-C196 WeakPolarHBondContact O-CB 3.45Å; P190-C196 PolarHBondContact O-SG 2.9Å; H191-C196 PolarHBondContact O-SG 3.46Å; H191-C196 VanDerWaalsContact O-SG 3.33Å; G193-C196 WeakPolarHBondContact O-CA 3.18Å; G193-C196 VanDerWaalsContact O-CB 3.3Å; G193-C196 WeakPolarHBondContact O-CB 3.15Å; G193-C196 PolarHBondContact O-N 3.33Å; C196-L198 VanDerWaalsContact C-N 3.33Å; C196-L198 PolarHBondContact O-N 2.75Å; C196-L199 PolarHBondContact O-N 2.87Å; C196-W200 WeakPolarHBondContact O-CB 3.35Å; C196-W200 VanDerWaalsContact O-CD1 3.28Å; C196-W200 PolarHBondContact O-N 3.15Å
197D98.8Very high98.1Very high3 Ų348.9 Ų48.92%0.01626%0.258CS..Hα-helixtrans-59.2-41.2-176.7-60.5-18.8000112.7S171 G193 P194 L199 W200 S201 G217S171-D197 VanDerWaalsContact CB-CB 3.44Å; S171-D197 WeakPolarHBondContact CB-OD2 3.45Å; S171-D197 PolarHBondContact OG-OD2 2.76Å; G193-D197 VanDerWaalsContact O-CG 3.25Å; G193-D197 PolarHBondContact O-N 3.47Å; P194-D197 PolarHBondContact O-N 2.84Å; D197-L199 PolarHBondContact O-N 3.29Å; D197-L199 VanDerWaalsContact O-N 3.16Å; D197-W200 PolarHBondContact O-N 3.36Å; D197-S201 WeakPolarHBondContact CA-OG 3.43Å; D197-S201 WeakPolarHBondContact O-CB 3.44Å; D197-S201 PolarHBondContact O-N 3.42Å; D197-S201 PolarHBondContact O-OG 3.42Å; D197-G217 WeakPolarHBondContact OD1-CA 3.4Å
198L98.9Very high98.1Very high2 Ų245.8 Ų45.81%0.0125%0.249CC..Hα-helixtrans-59.4-24.3176.5-74.3172.3000113.5L155 T156 L166 G168 G169 I174 I180 L183 P194 C196L155-L198 HydrophobicContact CB-CD1 4.4Å; L155-L198 HydrophobicContact CD1-CD1 4.14Å; T156-L198 HydrophobicContact CG2-CD1 4.3Å; T156-L198 HydrophobicContact CG2-CD2 4.21Å; L166-L198 HydrophobicContact CD1-CD2 3.77Å; G168-L198 WeakPolarHBondContact CA-O 3.42Å; G168-L198 PolarHBondContact N-O 3.44Å; G169-L198 PolarHBondContact N-O 2.82Å; G169-L198 WeakPolarHBondContact O-CA 3.5Å; I174-L198 HydrophobicContact CD1-CD1 3.68Å; I174-L198 HydrophobicContact CD1-CD2 3.79Å; I174-L198 HydrophobicContact CD1-CG 3.6Å; I180-L198 HydrophobicContact CD1-CD2 4.12Å; I180-L198 HydrophobicContact CG1-CD1 4.45Å; I180-L198 HydrophobicContact CG2-CD1 3.93Å; L183-L198 HydrophobicContact CD1-CD1 3.95Å; P194-L198 VanDerWaalsContact O-CG 3.29Å; P194-L198 WeakPolarHBondContact O-CG 3.36Å; P194-L198 PolarHBondContact O-N 3.09Å; P194-L198 VanDerWaalsContact O-N 3.11Å; C196-L198 VanDerWaalsContact C-N 3.33Å; C196-L198 PolarHBondContact O-N 2.75Å
199L98.8Very high98.1Very high0 Ų048.4 Ų48.40%026%0.257CS..Hα-helixtrans-102.9-18.8-177.6-57.1-178000113.1R115 N117 H167 V189 M195 C196 D197R115-L199 HydrophobicContact CB-CD2 4.38Å; R115-L199 HydrophobicContact CG-CD1 4.38Å; R115-L199 WeakPolarHBondContact O-CD2 3.37Å; N117-L199 HydrophobicContact CB-CB 4.27Å; H167-L199 HydrophobicContact CB-CD2 4.21Å; H167-L199 PolarHBondContact CD2-O 3.4Å; V189-L199 HydrophobicContact CB-CD1 4.47Å; V189-L199 HydrophobicContact CG1-CD1 3.93Å; V189-L199 HydrophobicContact CG2-CD1 3.63Å; M195-L199 WeakPolarHBondContact O-CG 3.41Å; C196-L199 PolarHBondContact O-N 2.87Å; D197-L199 PolarHBondContact O-N 3.29Å; D197-L199 VanDerWaalsContact O-N 3.16Å
200W98.8Very high98.1Very high40 Ų4048.8 Ų48.815%0.15226%0.263CS..Hα-helixtrans-122-15.4-170.6-75.394.3000115.8N117 I123 C196 D197 R214 A216N117-W200 HydrophobicContact CB-CD2 3.93Å; N117-W200 HydrophobicContact CB-CG 4.3Å; N117-W200 HydrophobicContact CB-CH2 4.41Å; N117-W200 HydrophobicContact CB-CZ2 3.77Å; N117-W200 VanDerWaalsContact ND2-CH2 3.33Å; N117-W200 WeakPolarHBondContact ND2-CH2 3.28Å; I123-W200 HydrophobicContact CD1-CH2 3.9Å; I123-W200 HydrophobicContact CD1-CZ2 3.78Å; I123-W200 HydrophobicContact CG1-CH2 4.5Å; I123-W200 HydrophobicContact CG1-CZ2 4.04Å; C196-W200 WeakPolarHBondContact O-CB 3.35Å; C196-W200 VanDerWaalsContact O-CD1 3.28Å; C196-W200 PolarHBondContact O-N 3.15Å; D197-W200 PolarHBondContact O-N 3.36Å; W200-R214 HydrophobicContact CE3-CB 4.16Å; W200-R214 HydrophobicContact CZ3-CB 4.38Å; W200-A216 HydrophobicContact CB-CB 4.21Å; W200-A216 HydrophobicContact CD2-CB 3.95Å; W200-A216 HydrophobicContact CE3-CB 4.28Å; W200-A216 HydrophobicContact CG-CB 3.92Å
201S98.8Very high98Very high0 Ų054 Ų540%029%0.287CS..  trans-76152.6-174.3-57.20000112.6G168 G169 L170 D197 Y218 R239G168-S201 CarbonylContact C-O 3.48Å; G169-S201 PolarHBondContact N-O 2.98Å; L170-S201 VanDerWaalsContact O-CB 3.28Å; L170-S201 WeakPolarHBondContact O-CB 3.33Å; L170-S201 PolarHBondContact O-OG 2.99Å; D197-S201 WeakPolarHBondContact CA-OG 3.43Å; D197-S201 WeakPolarHBondContact O-CB 3.44Å; D197-S201 PolarHBondContact O-N 3.42Å; D197-S201 PolarHBondContact O-OG 3.42Å; S201-Y218 CarbonylContact C-O 3.53Å; S201-Y218 WeakPolarHBondContact CA-O 3.34Å; S201-Y218 WeakPolarHBondContact CB-O 3.12Å; S201-Y218 PolarHBondContact OG-N 3.07Å; S201-R239 PolarHBondContact O-NH2 2.91Å
202D98.8Very high98.1Very high4 Ų447.8 Ų47.82%0.02126%0.259CS..EExtended strand (participates in β ladder)trans-130.4143.9-175.3-77.4-37.5000113.3R214 Y218 T219 F220 R239 H241 Q242D202-R214 IonicContact OD1-NE 3.37Å; D202-R214 IonicContact OD1-NH2 3.97Å; D202-R214 IonicContact OD2-CZ 2.78Å; D202-R214 IonicContact OD2-NE 3.8Å; D202-R214 PolarHBondContact OD2-NE 2.69Å; D202-R214 IonicContact OD2-NH2 2.66Å; D202-R214 PolarHBondContact OD2-NH2 3.34Å; D202-Y218 PolarHBondContact N-O 2.9Å; D202-T219 CarbonylContact O-C 3.57Å; D202-T219 WeakPolarHBondContact O-CA 3.25Å; D202-F220 VanDerWaalsContact C-CD1 3.43Å; D202-F220 WeakPolarHBondContact O-CD1 3.29Å; D202-F220 WeakPolarHBondContact O-CE1 3.27Å; D202-F220 PolarHBondContact O-N 2.88Å; D202-R239 IonicContact OD1-CZ 3.53Å; D202-R239 IonicContact OD1-NH1 3.28Å; D202-R239 PolarHBondContact OD1-NH1 3.07Å; D202-R239 IonicContact OD1-NH2 3.14Å; D202-H241 IonicContact OD1-CD2 2.73Å; D202-H241 PolarHBondContact OD1-CD2 2.68Å; D202-Q242 VanDerWaalsContact CG-NE2 3.28Å; D202-Q242 WeakPolarHBondContact OD1-CG 3.48Å; D202-Q242 PolarHBondContact OD1-OE1 2.95Å; D202-Q242 PolarHBondContact OD2-NE2 3.35Å
203P98.6Very high97.9Very high16 Ų1645.5 Ų45.510%0.10426%0.259CS..EExtended strand (participates in β ladder)trans-64.3148.7167.228.9-35.5000111.2F220 H252P203-F220 WeakPolarHBondContact CA-O 3.17Å; P203-F220 HydrophobicContact CB-CE1 4.4Å; P203-F220 HydrophobicContact CB-CE2 4.1Å; P203-F220 HydrophobicContact CB-CZ 3.9Å; P203-F220 HydrophobicContact CG-CZ 4.42Å; P203-F220 VanDerWaalsContact N-CE1 3.25Å; P203-H252 WeakPolarHBondContact CB-CE1 3.4Å
204D97.8Very high97.7Very high30 Ų3048 Ų4816%0.1626%0.261CS..  trans-147144.2-176.1-176-10000110.6R206 T219 F220 H252D204-R206 PolarHBondContact O-N 3.39Å; D204-R206 PolarHBondContact OD1-N 2.74Å; D204-R206 VanDerWaalsContact OD1-N 3.08Å; D204-R206 IonicContact OD1-NE 3.67Å; D204-R206 PolarHBondContact OD1-NE 2.89Å; D204-R206 IonicContact OD2-CZ 2.69Å; D204-R206 IonicContact OD2-NE 3.35Å; D204-R206 PolarHBondContact OD2-NE 3.4Å; D204-R206 IonicContact OD2-NH2 2.88Å; D204-R206 PolarHBondContact OD2-NH2 3.06Å; D204-T219 HydrophobicContact CB-CG2 4.24Å; D204-T219 VanDerWaalsContact OD2-CB 3.29Å; D204-T219 WeakPolarHBondContact OD2-CB 3.35Å; D204-T219 PolarHBondContact OD2-OG1 3.09Å; D204-F220 PolarHBondContact N-O 2.92Å; D204-H252 PolarHBondContact N-NE2 2.93Å; D204-H252 PolarHBondContact O-NE2 2.95Å; D204-H252 VanDerWaalsContact O-NE2 3.15Å
205D95.9Very high97.5Very high164 Ų16449.8 Ų49.888%0.87729%0.286SS*.SBendtrans-67.4-19.4179.2-66.5-31.3000112.1
206R96.3Very high97.4Very high154 Ų15450.3 Ų50.358%0.58129%0.292SS*.SBendtrans-75.4132.4173.9-62.3177.8-66.4176.62.6110.3D204 G221D204-R206 PolarHBondContact O-N 3.39Å; D204-R206 PolarHBondContact OD1-N 2.74Å; D204-R206 VanDerWaalsContact OD1-N 3.08Å; D204-R206 IonicContact OD1-NE 3.67Å; D204-R206 PolarHBondContact OD1-NE 2.89Å; D204-R206 IonicContact OD2-CZ 2.69Å; D204-R206 IonicContact OD2-NE 3.35Å; D204-R206 PolarHBondContact OD2-NE 3.4Å; D204-R206 IonicContact OD2-NH2 2.88Å; D204-R206 PolarHBondContact OD2-NH2 3.06Å; R206-G221 WeakPolarHBondContact O-CA 3.47Å
207G97.3Very high97.4Very high63 Ų6351 Ų5165%0.64930%0.298SS*.SBendtrans-66.7152.617500000113.5D223G207-D223 WeakPolarHBondContact CA-OD1 3.33Å
208G98.4Very high97.3Very high19 Ų1955.1 Ų55.120%0.19631%0.314CS..SBendtrans77.2-157.218000000113.8G221 D223G208-G221 PolarHBondContact O-N 3.49Å; G208-D223 WeakPolarHBondContact CA-OD2 3.45Å; G208-D223 PolarHBondContact N-OD1 2.75Å; G208-D223 PolarHBondContact N-OD2 3.31Å
209W98.6Very high97.3Very high100 Ų10055.4 Ų55.438%0.37932%0.316SS..EExtended strand (participates in β ladder)trans-96.2136.4175.8-63.5102.6000111L170 S171 P172 Y218 T219 F220 I224L170-W209 HydrophobicContact CB-CH2 3.71Å; L170-W209 HydrophobicContact CB-CZ3 4.27Å; L170-W209 WeakPolarHBondContact O-CZ3 3.47Å; S171-W209 WeakPolarHBondContact O-CH2 3.36Å; P172-W209 HydrophobicContact CB-CD2 4Å; P172-W209 HydrophobicContact CB-CE3 4.45Å; P172-W209 HydrophobicContact CB-CG 4.37Å; P172-W209 HydrophobicContact CB-CZ2 4.09Å; P172-W209 HydrophobicContact CG-CD2 4.49Å; P172-W209 VanDerWaalsContact N-CH2 3.32Å; W209-Y218 HydrophobicContact CE3-CG 4.41Å; W209-T219 CarbonylContact C-O 3.6Å; W209-T219 WeakPolarHBondContact CA-O 3.25Å; W209-F220 HydrophobicContact CE3-CB 3.8Å; W209-F220 HydrophobicContact CH2-CB 4.22Å; W209-F220 HydrophobicContact CZ3-CB 3.57Å; W209-F220 HydrophobicContact CZ3-CG 4.43Å; W209-I224 HydrophobicContact CD2-CG1 4.36Å; W209-I224 HydrophobicContact CD2-CG2 4.43Å; W209-I224 HydrophobicContact CG-CD1 4.45Å; W209-I224 HydrophobicContact CH2-CG2 3.57Å; W209-I224 HydrophobicContact CZ2-CD1 4.49Å; W209-I224 HydrophobicContact CZ2-CG2 3.3Å; W209-I224 HydrophobicContact CZ3-CG2 4.26Å
210G98.2Very high97.3Very high19 Ų1955.4 Ų55.420%0.19632%0.316CS..EExtended strand (participates in β ladder)trans-124161.9172.500000112.3Y218 T219G210-Y218 CarbonylContact O-C 3.6Å; G210-Y218 WeakPolarHBondContact O-CA 3.45Å; G210-Y218 WeakPolarHBondContact O-CB 3.48Å; G210-Y218 WeakPolarHBondContact O-CD1 3.39Å; G210-T219 VanDerWaalsContact CA-OG1 3.28Å; G210-T219 WeakPolarHBondContact CA-OG1 3.45Å; G210-T219 PolarHBondContact N-O 3.05Å; G210-T219 PolarHBondContact O-N 2.79Å
211I96.8Very high97.3Very high151 Ų15153.5 Ų53.577%0.77431%0.309SS*.EExtended strand (participates in β ladder)trans-75.3128.6173-62.1174.5000108.4
212S96.9Very high97.3Very high5 Ų556.4 Ų56.44%0.03532%0.323CS..  trans-65.9132.1178177.10000111.6R214 G215 A216 G217S212-R214 PolarHBondContact O-N 3.46Å; S212-R214 WeakPolarHBondContact OG-CB 3.48Å; S212-R214 WeakPolarHBondContact OG-CG 3.15Å; S212-R214 PolarHBondContact OG-N 2.9Å; S212-R214 VanDerWaalsContact OG-N 3.16Å; S212-G215 PolarHBondContact O-N 2.94Å; S212-A216 WeakPolarHBondContact CB-O 3.12Å; S212-A216 PolarHBondContact OG-O 2.82Å; S212-A216 VanDerWaalsContact OG-O 3.04Å; S212-G217 WeakPolarHBondContact CB-O 3.22Å
213P94.6Very high97.3Very high116 Ų11659.5 Ų59.575%0.75334%0.339SS*.THydrogen-bonded Turntrans-68.5-10.8172.930.9-35.3000112.6G215P213-G215 PolarHBondContact O-N 3.49Å
214R93.3Very high97.4Very high76 Ų7660 Ų6029%0.28734%0.34SS..THydrogen-bonded Turntrans-72.8-15177.1-57-171.1-177-75.7-12.7113.6W200 D202 S212 A216 H241W200-R214 HydrophobicContact CE3-CB 4.16Å; W200-R214 HydrophobicContact CZ3-CB 4.38Å; D202-R214 IonicContact OD1-NE 3.37Å; D202-R214 IonicContact OD1-NH2 3.97Å; D202-R214 IonicContact OD2-CZ 2.78Å; D202-R214 IonicContact OD2-NE 3.8Å; D202-R214 PolarHBondContact OD2-NE 2.69Å; D202-R214 IonicContact OD2-NH2 2.66Å; D202-R214 PolarHBondContact OD2-NH2 3.34Å; S212-R214 PolarHBondContact O-N 3.46Å; S212-R214 WeakPolarHBondContact OG-CB 3.48Å; S212-R214 WeakPolarHBondContact OG-CG 3.15Å; S212-R214 PolarHBondContact OG-N 2.9Å; S212-R214 VanDerWaalsContact OG-N 3.16Å; R214-A216 VanDerWaalsContact C-N 3.31Å; R214-H241 WeakPolarHBondContact CD-NE2 3.29Å; R214-H241 PolarHBondContact NE-NE2 3.47Å
215G94.5Very high97.4Very high75 Ų7558.5 Ų58.577%0.77333%0.333SS*.SBendtrans82.74.7-173.600000114.5S212 P213S212-G215 PolarHBondContact O-N 2.94Å; P213-G215 PolarHBondContact O-N 3.49Å
216A96.6Very high97.5Very high20 Ų2054.3 Ų54.317%0.16531%0.308CS..SBendtrans-151151173.800000109.7W200 S212 R214W200-A216 HydrophobicContact CB-CB 4.21Å; W200-A216 HydrophobicContact CD2-CB 3.95Å; W200-A216 HydrophobicContact CE3-CB 4.28Å; W200-A216 HydrophobicContact CG-CB 3.92Å; S212-A216 WeakPolarHBondContact CB-O 3.12Å; S212-A216 PolarHBondContact OG-O 2.82Å; S212-A216 VanDerWaalsContact OG-O 3.04Å; R214-A216 VanDerWaalsContact C-N 3.31Å
217G97.8Very high97.7Very high13 Ų1351.6 Ų51.613%0.13431%0.308CS..SBendtrans70.9-169.6-173.700000114D197 S212D197-G217 WeakPolarHBondContact OD1-CA 3.4Å; S212-G217 WeakPolarHBondContact CB-O 3.22Å
218Y98.6Very high97.7Very high90 Ų9049.2 Ų49.235%0.35328%0.28SS..EExtended strand (participates in β ladder)trans-125.6163.1-180-67.1-94000111P172 S201 D202 W209 G210P172-Y218 VanDerWaalsContact CD-CD2 3.48Å; P172-Y218 HydrophobicContact CG-CD1 4.35Å; P172-Y218 HydrophobicContact CG-CD2 3.73Å; P172-Y218 HydrophobicContact CG-CE1 4.22Å; P172-Y218 HydrophobicContact CG-CE2 3.58Å; P172-Y218 HydrophobicContact CG-CG 4.13Å; S201-Y218 CarbonylContact C-O 3.53Å; S201-Y218 WeakPolarHBondContact CA-O 3.34Å; S201-Y218 WeakPolarHBondContact CB-O 3.12Å; S201-Y218 PolarHBondContact OG-N 3.07Å; D202-Y218 PolarHBondContact N-O 2.9Å; W209-Y218 HydrophobicContact CE3-CG 4.41Å; G210-Y218 CarbonylContact O-C 3.6Å; G210-Y218 WeakPolarHBondContact O-CA 3.45Å; G210-Y218 WeakPolarHBondContact O-CB 3.48Å; G210-Y218 WeakPolarHBondContact O-CD1 3.39Å
219T98.8Very high97.8Very high8 Ų848.5 Ų48.55%0.04927%0.272CS..EExtended strand (participates in β ladder)trans-91.8147.1156.168.30000110.3D202 D204 W209 G210D202-T219 CarbonylContact O-C 3.57Å; D202-T219 WeakPolarHBondContact O-CA 3.25Å; D204-T219 HydrophobicContact CB-CG2 4.24Å; D204-T219 VanDerWaalsContact OD2-CB 3.29Å; D204-T219 WeakPolarHBondContact OD2-CB 3.35Å; D204-T219 PolarHBondContact OD2-OG1 3.09Å; W209-T219 CarbonylContact C-O 3.6Å; W209-T219 WeakPolarHBondContact CA-O 3.25Å; G210-T219 VanDerWaalsContact CA-OG1 3.28Å; G210-T219 WeakPolarHBondContact CA-OG1 3.45Å; G210-T219 PolarHBondContact N-O 3.05Å; G210-T219 PolarHBondContact O-N 2.79Å
220F98.9Very high97.8Very high0 Ų051.4 Ų51.40%029%0.29CS..EExtended strand (participates in β ladder)trans-133.3133.8179.863.5-85.5000111.6L170 D202 P203 D204 W209 I224 S225 H252 V256L170-F220 HydrophobicContact CB-CD1 4.37Å; L170-F220 HydrophobicContact CB-CD2 4.35Å; L170-F220 HydrophobicContact CB-CG 4.24Å; L170-F220 HydrophobicContact CD1-CD2 3.93Å; L170-F220 HydrophobicContact CD1-CE2 4.04Å; L170-F220 HydrophobicContact CG-CD2 4.14Å; L170-F220 HydrophobicContact CG-CE2 4.03Å; L170-F220 HydrophobicContact CG-CZ 4.32Å; D202-F220 VanDerWaalsContact C-CD1 3.43Å; D202-F220 WeakPolarHBondContact O-CD1 3.29Å; D202-F220 WeakPolarHBondContact O-CE1 3.27Å; D202-F220 PolarHBondContact O-N 2.88Å; P203-F220 WeakPolarHBondContact CA-O 3.17Å; P203-F220 HydrophobicContact CB-CE1 4.4Å; P203-F220 HydrophobicContact CB-CE2 4.1Å; P203-F220 HydrophobicContact CB-CZ 3.9Å; P203-F220 HydrophobicContact CG-CZ 4.42Å; P203-F220 VanDerWaalsContact N-CE1 3.25Å; D204-F220 PolarHBondContact N-O 2.92Å; W209-F220 HydrophobicContact CE3-CB 3.8Å; W209-F220 HydrophobicContact CH2-CB 4.22Å; W209-F220 HydrophobicContact CZ3-CB 3.57Å; W209-F220 HydrophobicContact CZ3-CG 4.43Å; F220-I224 HydrophobicContact CB-CB 4.18Å; F220-I224 HydrophobicContact CB-CG1 4.5Å; F220-I224 HydrophobicContact CB-CG2 3.99Å; F220-S225 WeakPolarHBondContact CD2-OG 3.44Å; F220-S225 WeakPolarHBondContact CE2-OG 3.4Å; F220-H252 AromaticContact CD2-CE1 3.94Å; F220-H252 AromaticContact CE2-CE1 3.93Å; F220-H252 PolarHBondContact O-CE1 3.43Å; F220-V256 HydrophobicContact CE2-CG2 4.15Å
221G98.8Very high97.8Very high0 Ų053.6 Ų53.60%031%0.305CS..  trans-81.7178.2-179.700000115R206 G208 D223 I224 S225R206-G221 WeakPolarHBondContact O-CA 3.47Å; G208-G221 PolarHBondContact O-N 3.49Å; G221-D223 VanDerWaalsContact C-N 3.33Å; G221-D223 PolarHBondContact O-N 3.12Å; G221-I224 PolarHBondContact O-N 3.13Å; G221-S225 PolarHBondContact O-N 3.03Å; G221-S225 PolarHBondContact O-OG 2.74Å; G221-S225 VanDerWaalsContact O-OG 3.12Å
222Q98.8Very high97.9Very high61 Ų6147.6 Ų47.629%0.28528%0.275SS..Hα-helixtrans-58.1-42.7175.3174.9175.2-24.500112.6I224 S225 E226 H252 E253Q222-I224 VanDerWaalsContact C-N 3.28Å; Q222-I224 PolarHBondContact O-N 2.81Å; Q222-S225 WeakPolarHBondContact O-CB 3.29Å; Q222-S225 PolarHBondContact O-N 2.94Å; Q222-S225 VanDerWaalsContact O-N 3.09Å; Q222-E226 HydrophobicContact CG-CG 4.3Å; Q222-E226 VanDerWaalsContact CG-OE1 3.29Å; Q222-E226 WeakPolarHBondContact CG-OE1 3.36Å; Q222-E226 PolarHBondContact NE2-OE1 2.77Å; Q222-E226 WeakPolarHBondContact O-CG 3.36Å; Q222-E226 PolarHBondContact O-N 2.84Å; Q222-H252 HydrophobicContact CB-CB 3.88Å; Q222-H252 HydrophobicContact CG-CB 3.95Å; Q222-E253 VanDerWaalsContact NE2-CG 3.33Å; Q222-E253 PolarHBondContact NE2-OE1 3.41Å; Q222-E253 VanDerWaalsContact NE2-OE1 3.08Å
223D98.8Very high97.9Very high70 Ų7057.8 Ų57.837%0.37431%0.313SS..Hα-helixtrans-60-37.4179.458.5-57.8000112.6G207 G208 G221 T227G207-D223 WeakPolarHBondContact CA-OD1 3.33Å; G208-D223 WeakPolarHBondContact CA-OD2 3.45Å; G208-D223 PolarHBondContact N-OD1 2.75Å; G208-D223 PolarHBondContact N-OD2 3.31Å; G221-D223 VanDerWaalsContact C-N 3.33Å; G221-D223 PolarHBondContact O-N 3.12Å; D223-T227 VanDerWaalsContact O-CB 3.32Å; D223-T227 WeakPolarHBondContact O-CB 3.27Å; D223-T227 PolarHBondContact O-N 3.08Å; D223-T227 VanDerWaalsContact O-N 3.07Å; D223-T227 PolarHBondContact O-OG1 3.43Å
224I98.9Very high98.1Very high25 Ų2553 Ų5313%0.12828%0.281CS..Hα-helixtrans-67.6-42.9175.2-57.8-53.6000110.7L170 W209 F220 G221 Q222 T227 F228L170-I224 HydrophobicContact CD1-CG2 4.02Å; W209-I224 HydrophobicContact CD2-CG1 4.36Å; W209-I224 HydrophobicContact CD2-CG2 4.43Å; W209-I224 HydrophobicContact CG-CD1 4.45Å; W209-I224 HydrophobicContact CH2-CG2 3.57Å; W209-I224 HydrophobicContact CZ2-CD1 4.49Å; W209-I224 HydrophobicContact CZ2-CG2 3.3Å; W209-I224 HydrophobicContact CZ3-CG2 4.26Å; F220-I224 HydrophobicContact CB-CB 4.18Å; F220-I224 HydrophobicContact CB-CG1 4.5Å; F220-I224 HydrophobicContact CB-CG2 3.99Å; G221-I224 PolarHBondContact O-N 3.13Å; Q222-I224 VanDerWaalsContact C-N 3.28Å; Q222-I224 PolarHBondContact O-N 2.81Å; I224-T227 PolarHBondContact O-N 3.15Å; I224-F228 WeakPolarHBondContact O-CB 3.47Å; I224-F228 PolarHBondContact O-N 3.07Å
225S98.9Very high98.4Very high0 Ų053.1 Ų53.10%029%0.29CS..Hα-helixtrans-65.2-46-179.1-55.30000111.9F220 G221 Q222 F228 N229 H252 V256F220-S225 WeakPolarHBondContact CD2-OG 3.44Å; F220-S225 WeakPolarHBondContact CE2-OG 3.4Å; G221-S225 PolarHBondContact O-N 3.03Å; G221-S225 PolarHBondContact O-OG 2.74Å; G221-S225 VanDerWaalsContact O-OG 3.12Å; Q222-S225 WeakPolarHBondContact O-CB 3.29Å; Q222-S225 PolarHBondContact O-N 2.94Å; Q222-S225 VanDerWaalsContact O-N 3.09Å; S225-F228 PolarHBondContact O-N 3.39Å; S225-N229 WeakPolarHBondContact O-CB 3.27Å; S225-N229 PolarHBondContact O-N 2.83Å; S225-H252 PolarHBondContact OG-CE1 2.84Å; S225-H252 PolarHBondContact OG-ND1 2.94Å; S225-V256 WeakPolarHBondContact OG-CG2 3.44Å
226E98.8Very high98.6Very high75 Ų7549.7 Ų49.735%0.3525%0.254SS..Hα-helixtrans-60.8-45.1175.8-73.2173.5-176.300111.5Q222 N229 H230 N255Q222-E226 HydrophobicContact CG-CG 4.3Å; Q222-E226 VanDerWaalsContact CG-OE1 3.29Å; Q222-E226 WeakPolarHBondContact CG-OE1 3.36Å; Q222-E226 PolarHBondContact NE2-OE1 2.77Å; Q222-E226 WeakPolarHBondContact O-CG 3.36Å; Q222-E226 PolarHBondContact O-N 2.84Å; E226-N229 PolarHBondContact O-N 3.37Å; E226-H230 VanDerWaalsContact O-CB 3.25Å; E226-H230 WeakPolarHBondContact O-CB 3.36Å; E226-H230 PolarHBondContact O-N 3.37Å; E226-N255 WeakPolarHBondContact CG-ND2 3.45Å
227T98.8Very high98.7Very high97 Ų9748.8 Ų48.860%0.59525%0.246SC*.Hα-helixtrans-61-47.7178.8-61.50000111.2D223 I224 H230 A231D223-T227 VanDerWaalsContact O-CB 3.32Å; D223-T227 WeakPolarHBondContact O-CB 3.27Å; D223-T227 PolarHBondContact O-N 3.08Å; D223-T227 VanDerWaalsContact O-N 3.07Å; D223-T227 PolarHBondContact O-OG1 3.43Å; I224-T227 PolarHBondContact O-N 3.15Å; T227-H230 PolarHBondContact O-N 3.16Å; T227-A231 VanDerWaalsContact O-CB 3.26Å; T227-A231 WeakPolarHBondContact O-CB 3.13Å; T227-A231 PolarHBondContact O-N 3.24Å
228F98.9Very high98.8Very high14 Ų1448.1 Ų48.16%0.06124%0.24CC..Hα-helixtrans-64.4-45.7179.8-174.2-93.9000112F164 L170 I174 L177 I224 S225 A231 N232 L234F164-F228 AromaticContact CD1-CE1 3.82Å; F164-F228 HydrophobicContact CD1-CE1 3.82Å; F164-F228 HydrophobicContact CD1-CZ 4.46Å; F164-F228 AromaticContact CE1-CE1 3.9Å; F164-F228 HydrophobicContact CE1-CE1 3.9Å; F164-F228 HydrophobicContact CE1-CZ 4.12Å; L170-F228 HydrophobicContact CD1-CB 3.75Å; L170-F228 HydrophobicContact CD1-CD1 4.32Å; L170-F228 HydrophobicContact CD1-CG 4.01Å; L170-F228 HydrophobicContact CD2-CB 4.49Å; L170-F228 HydrophobicContact CD2-CD1 3.63Å; L170-F228 HydrophobicContact CD2-CD2 4.19Å; L170-F228 HydrophobicContact CD2-CE1 3.78Å; L170-F228 HydrophobicContact CD2-CE2 4.33Å; L170-F228 HydrophobicContact CD2-CG 3.84Å; L170-F228 HydrophobicContact CD2-CZ 4.13Å; I174-F228 HydrophobicContact CG2-CE2 4.29Å; L177-F228 HydrophobicContact CD2-CZ 4.26Å; I224-F228 WeakPolarHBondContact O-CB 3.47Å; I224-F228 PolarHBondContact O-N 3.07Å; S225-F228 PolarHBondContact O-N 3.39Å; F228-A231 PolarHBondContact O-N 3.25Å; F228-N232 WeakPolarHBondContact O-CB 3.33Å; F228-N232 PolarHBondContact O-N 3.07Å; F228-N232 PolarHBondContact O-ND2 3.07Å; F228-L234 HydrophobicContact CD1-CD1 3.87Å; F228-L234 HydrophobicContact CE1-CD1 3.56Å
229N98.9Very high98.8Very high3 Ų343.9 Ų43.92%0.01622%0.223CC..Hα-helixtrans-60.7-47.9177.6-79.7-11.7000111.3S225 E226 N232 R233 L234 V237 N255S225-N229 WeakPolarHBondContact O-CB 3.27Å; S225-N229 PolarHBondContact O-N 2.83Å; E226-N229 PolarHBondContact O-N 3.37Å; N229-N232 CarbonylContact O-C 3.54Å; N229-N232 PolarHBondContact O-N 3.17Å; N229-R233 CarbonylContact O-C 3.49Å; N229-R233 WeakPolarHBondContact O-CA 3.43Å; N229-R233 PolarHBondContact O-N 3.45Å; N229-L234 HydrophobicContact CB-CB 4.26Å; N229-L234 PolarHBondContact O-N 3.42Å; N229-V237 VanDerWaalsContact OD1-CG2 3.25Å; N229-V237 WeakPolarHBondContact OD1-CG2 3.32Å; N229-N255 WeakPolarHBondContact ND2-CB 3.32Å; N229-N255 PolarHBondContact ND2-O 3.38Å; N229-N255 PolarHBondContact ND2-OD1 3.09Å
230H98.7Very high98.8Very high162 Ų16243.5 Ų43.575%0.7522%0.221SC*.Hα-helixtrans-62.5-46.5178.9179-91.4000112.1E226 T227 N232 R233E226-H230 VanDerWaalsContact O-CB 3.25Å; E226-H230 WeakPolarHBondContact O-CB 3.36Å; E226-H230 PolarHBondContact O-N 3.37Å; T227-H230 PolarHBondContact O-N 3.16Å; H230-N232 VanDerWaalsContact C-N 3.28Å; H230-N232 PolarHBondContact O-N 2.98Å; H230-R233 PolarHBondContact O-N 2.95Å
231A98.5Very high98.8Very high64 Ų6444.2 Ų44.253%0.52922%0.224SC..Hα-helixtrans-61.4-36.9-179.500000112.6T227 F228T227-A231 VanDerWaalsContact O-CB 3.26Å; T227-A231 WeakPolarHBondContact O-CB 3.13Å; T227-A231 PolarHBondContact O-N 3.24Å; F228-A231 PolarHBondContact O-N 3.25Å
232N98.8Very high98.7Very high26 Ų2645.9 Ų45.914%0.13923%0.232CC..Hα-helixtrans-1004.7-176.9-65.9-79.5000113.8D175 T176 L177 F228 N229 H230 L234D175-N232 PolarHBondContact O-ND2 2.84Å; T176-N232 VanDerWaalsContact CA-OD1 3.23Å; T176-N232 WeakPolarHBondContact CA-OD1 3.47Å; L177-N232 HydrophobicContact CD1-CB 4.49Å; L177-N232 HydrophobicContact CG-CB 4.2Å; L177-N232 PolarHBondContact N-OD1 3.31Å; F228-N232 WeakPolarHBondContact O-CB 3.33Å; F228-N232 PolarHBondContact O-N 3.07Å; F228-N232 PolarHBondContact O-ND2 3.07Å; N229-N232 CarbonylContact O-C 3.54Å; N229-N232 PolarHBondContact O-N 3.17Å; H230-N232 VanDerWaalsContact C-N 3.28Å; H230-N232 PolarHBondContact O-N 2.98Å; N232-L234 VanDerWaalsContact C-N 3.27Å; N232-L234 HydrophobicContact CB-CD1 3.88Å; N232-L234 HydrophobicContact CB-CG 3.81Å; N232-L234 PolarHBondContact O-N 3.34Å
233R98.5Very high98.6Very high219 Ų21943.6 Ų43.683%0.82622%0.222SC*.THydrogen-bonded Turntrans56.538.5-178-53.1178.6-177.2173.71.3113.4N229 H230N229-R233 CarbonylContact O-C 3.49Å; N229-R233 WeakPolarHBondContact O-CA 3.43Å; N229-R233 PolarHBondContact O-N 3.45Å; H230-R233 PolarHBondContact O-N 2.95Å
234L98.8Very high98.6Very high15 Ų1541.1 Ų41.18%0.07921%0.209CC..  trans-90.6146.9177.8-54.1170.9000110L158 Q162 F164 L177 F228 N229 N232L158-L234 HydrophobicContact CD1-CD2 3.56Å; Q162-L234 CarbonylContact O-C 3.56Å; Q162-L234 WeakPolarHBondContact O-CA 3.24Å; F164-L234 HydrophobicContact CB-CD1 3.57Å; F164-L234 HydrophobicContact CB-CD2 4.02Å; F164-L234 HydrophobicContact CB-CG 4.35Å; F164-L234 HydrophobicContact CD1-CD1 4.4Å; F164-L234 HydrophobicContact CG-CD1 4.11Å; L177-L234 HydrophobicContact CD1-CD2 4.44Å; F228-L234 HydrophobicContact CD1-CD1 3.87Å; F228-L234 HydrophobicContact CE1-CD1 3.56Å; N229-L234 HydrophobicContact CB-CB 4.26Å; N229-L234 PolarHBondContact O-N 3.42Å; N232-L234 VanDerWaalsContact C-N 3.27Å; N232-L234 HydrophobicContact CB-CD1 3.88Å; N232-L234 HydrophobicContact CB-CG 3.81Å; N232-L234 PolarHBondContact O-N 3.34Å
235T98.4Very high98.5Very high78 Ų7843.7 Ų43.748%0.47922%0.221SC..SBendtrans-91.8-23.7171.857.80000112Q162Q162-T235 HydrophobicContact CB-CG2 4.19Å; Q162-T235 HydrophobicContact CG-CG2 4.33Å; Q162-T235 PolarHBondContact O-N 2.9Å; Q162-T235 PolarHBondContact O-OG1 3.25Å
236L98.8Very high98.4Very high4 Ų449 Ų492%0.02125%0.246CC..EExtended strand (participates in β ladder)trans-161.2139.6-171.4176.958.3000111.6I163 F164 W250 V257 M276I163-L236 WeakPolarHBondContact CA-O 3.39Å; I163-L236 HydrophobicContact CD1-CD2 4.37Å; I163-L236 HydrophobicContact CG1-CB 4.23Å; I163-L236 HydrophobicContact CG2-CB 4.18Å; I163-L236 HydrophobicContact CG2-CD2 4.07Å; I163-L236 HydrophobicContact CG2-CG 4.16Å; F164-L236 PolarHBondContact N-O 3.23Å; L236-W250 HydrophobicContact CD1-CH2 3.95Å; L236-W250 HydrophobicContact CD1-CZ3 3.45Å; L236-W250 VanDerWaalsContact CD1-CZ3 3.45Å; L236-W250 HydrophobicContact CD2-CH2 3.9Å; L236-W250 HydrophobicContact CD2-CZ3 4.28Å; L236-V257 HydrophobicContact CD1-CB 4.35Å; L236-V257 HydrophobicContact CD1-CG1 4.04Å; L236-V257 HydrophobicContact CD2-CG1 4Å; L236-V257 HydrophobicContact CG-CG1 4.32Å; L236-M276 HydrophobicContact CD2-SD 4.43Å
237V98.9Very high98.4Very high0 Ų045.4 Ų45.40%023%0.229CC..EExtended strand (participates in β ladder)trans-96118.7156.8-177.40000109.2F164 L166 N229 N255 V256 V257F164-V237 HydrophobicContact CD1-CG1 4.23Å; F164-V237 HydrophobicContact CD1-CG2 4.31Å; F164-V237 CarbonylContact O-C 3.6Å; F164-V237 WeakPolarHBondContact O-CA 3.46Å; L166-V237 HydrophobicContact CD2-CG1 3.5Å; N229-V237 VanDerWaalsContact OD1-CG2 3.25Å; N229-V237 WeakPolarHBondContact OD1-CG2 3.32Å; V237-N255 PolarHBondContact N-O 3.18Å; V237-V256 HydrophobicContact CB-CG1 4.42Å; V237-V256 HydrophobicContact CB-CG2 4.2Å; V237-V256 CarbonylContact O-C 3.56Å; V237-V256 VanDerWaalsContact O-CA 3.29Å; V237-V256 WeakPolarHBondContact O-CA 3.18Å; V237-V257 PolarHBondContact O-N 2.84Å
238S98.9Very high98.4Very high0 Ų043.8 Ų43.80%021%0.213CC..EExtended strand (participates in β ladder)trans-104125.6172.9175.80000109.4F164 C165 L166 I259F164-S238 PolarHBondContact O-N 3.41Å; C165-S238 VanDerWaalsContact CA-O 3.24Å; C165-S238 WeakPolarHBondContact CA-O 3.24Å; L166-S238 PolarHBondContact N-O 2.78Å; L166-S238 VanDerWaalsContact N-O 3.17Å; S238-I259 WeakPolarHBondContact OG-CD1 3.33Å
239R98.9Very high98.4Very high0 Ų047 Ų470%023%0.231CC..EExtended strand (participates in β ladder)trans-143.8172.6-173.870.573.244.8143.58114.4M83 L166 H167 G168 S201 D202 V256 V257 T258 I259M83-R239 WeakPolarHBondContact CE-O 3.3Å; L166-R239 HydrophobicContact CD2-CB 3.92Å; L166-R239 WeakPolarHBondContact O-CA 3.5Å; L166-R239 WeakPolarHBondContact O-CB 3.49Å; H167-R239 PolarHBondContact O-NE 2.66Å; H167-R239 PolarHBondContact O-NH2 3.15Å; G168-R239 WeakPolarHBondContact O-CB 3.14Å; G168-R239 PolarHBondContact O-NE 3.37Å; G168-R239 PolarHBondContact O-NH2 3.21Å; S201-R239 PolarHBondContact O-NH2 2.91Å; D202-R239 IonicContact OD1-CZ 3.53Å; D202-R239 IonicContact OD1-NH1 3.28Å; D202-R239 PolarHBondContact OD1-NH1 3.07Å; D202-R239 IonicContact OD1-NH2 3.14Å; R239-V256 HydrophobicContact CG-CG1 3.96Å; R239-V257 PolarHBondContact N-O 3.21Å; R239-T258 VanDerWaalsContact CD-OG1 3.27Å; R239-T258 WeakPolarHBondContact CD-OG1 3.23Å; R239-T258 CarbonylContact O-C 3.54Å; R239-T258 VanDerWaalsContact O-CA 3.32Å; R239-T258 WeakPolarHBondContact O-CA 3.29Å; R239-I259 PolarHBondContact O-N 2.7Å
240A98.7Very high98.4Very high0 Ų049.4 Ų49.40%024%0.24CC..  trans-123.6-134.1-169.200000113.3D57 M83 H167 Q242 I259D57-A240 VanDerWaalsContact OD1-CB 3.28Å; D57-A240 WeakPolarHBondContact OD1-CB 3.5Å; M83-A240 HydrophobicContact CB-CB 3.83Å; M83-A240 HydrophobicContact CE-CB 4.03Å; H167-A240 CarbonylContact O-C 3.03Å; H167-A240 PolarHBondContact O-N 3.15Å; A240-Q242 VanDerWaalsContact C-N 3.25Å; A240-Q242 PolarHBondContact O-N 2.77Å; A240-I259 WeakPolarHBondContact CA-O 3.4Å
241H98.5Very high98.3Very high15 Ų1542.7 Ų42.77%0.06921%0.21CC..SBendtrans65.7-42.6163.3-168.756.4000118.5D57 N117 H167 D202 R214D57-H241 PolarHBondContact OD1-N 2.96Å; D57-H241 WeakPolarHBondContact OD2-CA 3.26Å; N117-H241 VanDerWaalsContact CG-CE1 3.43Å; N117-H241 PolarHBondContact OD1-CE1 3.22Å; N117-H241 PolarHBondContact OD1-ND1 3.03Å; H167-H241 AromaticContact CD2-ND1 3.84Å; H167-H241 AromaticContact NE2-CG 3.84Å; H167-H241 AromaticContact NE2-ND1 3.35Å; H167-H241 PolarHBondContact NE2-ND1 3.35Å; D202-H241 IonicContact OD1-CD2 2.73Å; D202-H241 PolarHBondContact OD1-CD2 2.68Å; R214-H241 WeakPolarHBondContact CD-NE2 3.29Å; R214-H241 PolarHBondContact NE-NE2 3.47Å
242Q97.5Very high98.4Very high36 Ų3640.1 Ų40.117%0.16819%0.188CC..SBendtrans-91.2125.4-179.8-91.5174.4-40.800109.8D202 A240 V244 T258 F260D202-Q242 VanDerWaalsContact CG-NE2 3.28Å; D202-Q242 WeakPolarHBondContact OD1-CG 3.48Å; D202-Q242 PolarHBondContact OD1-OE1 2.95Å; D202-Q242 PolarHBondContact OD2-NE2 3.35Å; A240-Q242 VanDerWaalsContact C-N 3.25Å; A240-Q242 PolarHBondContact O-N 2.77Å; Q242-V244 PolarHBondContact O-N 2.96Å; Q242-T258 HydrophobicContact CB-CG2 4.16Å; Q242-F260 WeakPolarHBondContact O-CD2 3.35Å
243L97.6Very high98.3Very high13 Ų1346.1 Ų46.17%0.06821%0.214CC..  trans-62.8122.5170.8-179.7143.4000109.4M245 F260 Y265 C269 N271 T304 L309L243-M245 HydrophobicContact CD2-SD 3.8Å; L243-F260 HydrophobicContact CB-CE2 4.38Å; L243-F260 HydrophobicContact CB-CZ 4.38Å; L243-F260 HydrophobicContact CD1-CE1 4.32Å; L243-F260 HydrophobicContact CD1-CZ 4.48Å; L243-Y265 HydrophobicContact CD1-CD1 3.56Å; L243-Y265 HydrophobicContact CD1-CG 3.96Å; L243-C269 HydrophobicContact CD1-CB 3.62Å; L243-N271 HydrophobicContact CD1-CB 4.43Å; L243-N271 HydrophobicContact CD2-CB 4.32Å; L243-N271 HydrophobicContact CG-CB 4.36Å; L243-T304 HydrophobicContact CD2-CG2 4.2Å; L243-L309 HydrophobicContact CD2-CD2 4.36Å
244V96.9Very high98.3Very high18 Ų1843.1 Ų43.111%0.10920%0.203CC..  trans-118.8129.5172.9-70.40000108.7Q242 E246 G247 N249 T258 F260Q242-V244 PolarHBondContact O-N 2.96Å; V244-E246 PolarHBondContact O-N 3.18Å; V244-G247 PolarHBondContact O-N 3.28Å; V244-N249 HydrophobicContact CB-CB 4.09Å; V244-N249 HydrophobicContact CG1-CB 3.68Å; V244-T258 HydrophobicContact CG1-CG2 3.82Å; V244-T258 HydrophobicContact CG2-CG2 4.24Å; V244-F260 HydrophobicContact CG2-CB 3.84Å
245M97.5Very high98.3Very high79 Ų7944 Ų4439%0.38921%0.208SC..THydrogen-bonded Turntrans-62.1-31-168.3-72.8-57.3-57.300113.7L243 G247 N271 Q272L243-M245 HydrophobicContact CD2-SD 3.8Å; M245-G247 VanDerWaalsContact C-N 3.33Å; M245-N271 HydrophobicContact CE-CB 4.19Å; M245-N271 CarbonylContact O-C 3.6Å; M245-N271 VanDerWaalsContact O-CA 3.31Å; M245-N271 WeakPolarHBondContact O-CA 3.28Å; M245-N271 HydrophobicContact SD-CB 4.03Å; M245-Q272 PolarHBondContact O-N 3.2Å
246E97.6Very high98.3Very high110 Ų11040.3 Ų40.351%0.51419%0.185SC..THydrogen-bonded Turntrans-91.66.7179.8-57.3-58.6128.300112.5V244 Y248 Q288V244-E246 PolarHBondContact O-N 3.18Å; E246-Y248 PolarHBondContact O-N 3.31Å; E246-Y248 VanDerWaalsContact O-N 3.12Å; E246-Q288 PolarHBondContact O-NE2 3.33Å
247G98.4Very high98.3Very high0 Ų040.1 Ų40.10%018%0.184CC..SBendtrans78.6-21.3-177.500000114.7V244 M245 F260 Q272 A274V244-G247 PolarHBondContact O-N 3.28Å; M245-G247 VanDerWaalsContact C-N 3.33Å; G247-F260 PolarHBondContact O-N 3.41Å; G247-Q272 VanDerWaalsContact CA-O 3.22Å; G247-Q272 WeakPolarHBondContact CA-O 3.29Å; G247-Q272 PolarHBondContact N-O 3.04Å; G247-A274 WeakPolarHBondContact O-CB 3.2Å
248Y98.8Very high98.3Very high63 Ų6340.2 Ų40.225%0.24719%0.185CC..EExtended strand (participates in β ladder)trans-143.5157.1164.776-75000111.1E246 W250 V257 T258 A274 F286 Q288E246-Y248 PolarHBondContact O-N 3.31Å; E246-Y248 VanDerWaalsContact O-N 3.12Å; Y248-W250 AromaticContact CE2-CD1 3.83Å; Y248-W250 AromaticContact CE2-NE1 3.78Å; Y248-V257 HydrophobicContact CD2-CG2 4.46Å; Y248-T258 CarbonylContact C-O 3.53Å; Y248-T258 WeakPolarHBondContact CA-O 3.26Å; Y248-T258 WeakPolarHBondContact CB-O 3.23Å; Y248-A274 HydrophobicContact CD1-CB 3.96Å; Y248-A274 HydrophobicContact CG-CB 4.47Å; Y248-F286 HydrophobicContact CD1-CB 4.03Å; Y248-F286 HydrophobicContact CD1-CD1 4.05Å; Y248-F286 HydrophobicContact CD1-CG 4.12Å; Y248-F286 AromaticContact CD2-CD1 3.6Å; Y248-F286 HydrophobicContact CD2-CD1 3.6Å; Y248-F286 HydrophobicContact CD2-CD2 4.08Å; Y248-F286 AromaticContact CD2-CE1 3.74Å; Y248-F286 HydrophobicContact CD2-CE1 3.74Å; Y248-F286 HydrophobicContact CD2-CE2 4.24Å; Y248-F286 AromaticContact CD2-CG 3.78Å; Y248-F286 HydrophobicContact CD2-CG 3.78Å; Y248-F286 HydrophobicContact CD2-CZ 4.08Å; Y248-F286 HydrophobicContact CE1-CB 3.85Å; Y248-F286 HydrophobicContact CE1-CG 4.15Å; Y248-F286 HydrophobicContact CE2-CB 4.34Å; Y248-F286 HydrophobicContact CE2-CD1 4.13Å; Y248-F286 AromaticContact CE2-CD2 3.81Å; Y248-F286 HydrophobicContact CE2-CD2 3.81Å; Y248-F286 HydrophobicContact CE2-CE1 4.43Å; Y248-F286 HydrophobicContact CE2-CE2 4.17Å; Y248-F286 AromaticContact CE2-CG 3.81Å; Y248-F286 HydrophobicContact CE2-CG 3.81Å; Y248-F286 HydrophobicContact CE2-CZ 4.47Å; Y248-F286 HydrophobicContact CG-CB 4.36Å; Y248-F286 AromaticContact CG-CD1 3.55Å; Y248-F286 HydrophobicContact CG-CD1 3.55Å; Y248-F286 HydrophobicContact CG-CE1 4.01Å; Y248-F286 AromaticContact CG-CG 3.94Å; Y248-F286 HydrophobicContact CG-CG 3.94Å; Y248-Q288 HydrophobicContact CD1-CG 4.07Å; Y248-Q288 HydrophobicContact CE1-CG 3.92Å
249N98.6Very high98.3Very high82 Ų8240.2 Ų40.244%0.43919%0.185SC..EExtended strand (participates in β ladder)trans-146.9134.8174.4-174.254.9000111.3V244 V257 T258V244-N249 HydrophobicContact CB-CB 4.09Å; V244-N249 HydrophobicContact CG1-CB 3.68Å; N249-V257 WeakPolarHBondContact O-CA 3.43Å; N249-T258 PolarHBondContact N-O 3.06Å; N249-T258 PolarHBondContact O-N 2.86Å
250W98.7Very high98.3Very high54 Ų5440.3 Ų40.321%0.20519%0.185CC..EExtended strand (participates in β ladder)trans-89.7134.5171-74.1103.5000110.1L236 Y248 R254 V257 Y284 F286L236-W250 HydrophobicContact CD1-CH2 3.95Å; L236-W250 HydrophobicContact CD1-CZ3 3.45Å; L236-W250 VanDerWaalsContact CD1-CZ3 3.45Å; L236-W250 HydrophobicContact CD2-CH2 3.9Å; L236-W250 HydrophobicContact CD2-CZ3 4.28Å; Y248-W250 AromaticContact CE2-CD1 3.83Å; Y248-W250 AromaticContact CE2-NE1 3.78Å; W250-R254 HydrophobicContact CD2-CB 4.43Å; W250-R254 HydrophobicContact CD2-CG 4.2Å; W250-R254 HydrophobicContact CE3-CB 3.73Å; W250-R254 HydrophobicContact CE3-CG 3.99Å; W250-R254 HydrophobicContact CG-CG 4.45Å; W250-R254 HydrophobicContact CZ3-CB 3.89Å; W250-R254 HydrophobicContact CZ3-CG 4.49Å; W250-R254 WeakPolarHBondContact CZ3-O 3.39Å; W250-V257 HydrophobicContact CD2-CB 4.07Å; W250-V257 HydrophobicContact CD2-CG2 3.95Å; W250-V257 HydrophobicContact CE3-CB 3.66Å; W250-V257 HydrophobicContact CE3-CG2 4.09Å; W250-V257 HydrophobicContact CG-CG2 4.47Å; W250-V257 HydrophobicContact CH2-CB 4.01Å; W250-V257 HydrophobicContact CH2-CG1 4.33Å; W250-V257 HydrophobicContact CH2-CG2 4.44Å; W250-V257 HydrophobicContact CZ2-CB 4.35Å; W250-V257 HydrophobicContact CZ2-CG2 4.27Å; W250-V257 HydrophobicContact CZ3-CB 3.67Å; W250-V257 HydrophobicContact CZ3-CG1 4.3Å; W250-V257 HydrophobicContact CZ3-CG2 4.36Å; W250-Y284 HydrophobicContact CH2-CE1 4.46Å; W250-Y284 HydrophobicContact CH2-CE2 4.11Å; W250-Y284 HydrophobicContact CZ2-CD2 4Å; W250-Y284 AromaticContact CZ2-CE2 3.66Å; W250-Y284 HydrophobicContact CZ2-CE2 3.66Å; W250-F286 AromaticContact CE2-CE2 3.85Å; W250-F286 AromaticContact CE2-CZ 3.88Å; W250-F286 HydrophobicContact CH2-CZ 4.43Å; W250-F286 AromaticContact CZ2-CE2 3.56Å; W250-F286 HydrophobicContact CZ2-CE2 3.56Å; W250-F286 AromaticContact CZ2-CZ 3.54Å; W250-F286 HydrophobicContact CZ2-CZ 3.54Å; W250-F286 AromaticContact NE1-CE2 3.64Å; W250-F286 AromaticContact NE1-CZ 3.95Å
251C98.1Very high98.3Very high20 Ų2040.4 Ų40.414%0.13519%0.186CC..EExtended strand (participates in β ladder)trans-135.7174.3171.559.50000111.4E253 R254 V256C251-E253 PolarHBondContact O-N 2.95Å; C251-R254 WeakPolarHBondContact O-CA 3.38Å; C251-R254 PolarHBondContact O-N 3.07Å; C251-V256 PolarHBondContact N-O 2.93Å; C251-V256 PolarHBondContact O-N 3.16Å
252H98.7Very high98.3Very high11 Ų1139.7 Ų39.75%0.05118%0.183CC..G310 helixtrans52.250.3175.8-56.5171.6000113.2P203 D204 F220 Q222 S225 R254 N255 V256P203-H252 WeakPolarHBondContact CB-CE1 3.4Å; D204-H252 PolarHBondContact N-NE2 2.93Å; D204-H252 PolarHBondContact O-NE2 2.95Å; D204-H252 VanDerWaalsContact O-NE2 3.15Å; F220-H252 AromaticContact CD2-CE1 3.94Å; F220-H252 AromaticContact CE2-CE1 3.93Å; F220-H252 PolarHBondContact O-CE1 3.43Å; Q222-H252 HydrophobicContact CB-CB 3.88Å; Q222-H252 HydrophobicContact CG-CB 3.95Å; S225-H252 PolarHBondContact OG-CE1 2.84Å; S225-H252 PolarHBondContact OG-ND1 2.94Å; H252-R254 PolarHBondContact O-N 3.19Å; H252-R254 VanDerWaalsContact O-N 3.15Å; H252-N255 HydrophobicContact CB-CB 4.24Å; H252-N255 VanDerWaalsContact O-CB 3.24Å; H252-N255 WeakPolarHBondContact O-CB 3.43Å; H252-N255 PolarHBondContact O-N 3.07Å; H252-N255 PolarHBondContact O-ND2 3.4Å; H252-V256 HydrophobicContact CB-CG2 4.27Å
253E97.7Very high98.3Very high151 Ų15138 Ų3871%0.70618%0.175SC*.G310 helixtrans51.638.1-176.9-69.3-173.3-157.100114.3Q222 C251 N255Q222-E253 VanDerWaalsContact NE2-CG 3.33Å; Q222-E253 PolarHBondContact NE2-OE1 3.41Å; Q222-E253 VanDerWaalsContact NE2-OE1 3.08Å; C251-E253 PolarHBondContact O-N 2.95Å; E253-N255 VanDerWaalsContact C-N 3.27Å; E253-N255 PolarHBondContact O-N 3.24Å
254R98.1Very high98.3Very high157 Ų15739.2 Ų39.259%0.59218%0.181SC*.G310 helixtrans69.315.1-177.4-52.5-177.3172.4-167.5-2.7115.4W250 C251 H252 V256W250-R254 HydrophobicContact CD2-CB 4.43Å; W250-R254 HydrophobicContact CD2-CG 4.2Å; W250-R254 HydrophobicContact CE3-CB 3.73Å; W250-R254 HydrophobicContact CE3-CG 3.99Å; W250-R254 HydrophobicContact CG-CG 4.45Å; W250-R254 HydrophobicContact CZ3-CB 3.89Å; W250-R254 HydrophobicContact CZ3-CG 4.49Å; W250-R254 WeakPolarHBondContact CZ3-O 3.39Å; C251-R254 WeakPolarHBondContact O-CA 3.38Å; C251-R254 PolarHBondContact O-N 3.07Å; H252-R254 PolarHBondContact O-N 3.19Å; H252-R254 VanDerWaalsContact O-N 3.15Å; R254-V256 PolarHBondContact O-N 3.27Å
255N98.7Very high98.3Very high33 Ų3338.8 Ų38.818%0.17618%0.178CC..THydrogen-bonded Turntrans-70.1-23.5167.3-76.6-80.5000112.4E226 N229 V237 H252 E253E226-N255 WeakPolarHBondContact CG-ND2 3.45Å; N229-N255 WeakPolarHBondContact ND2-CB 3.32Å; N229-N255 PolarHBondContact ND2-O 3.38Å; N229-N255 PolarHBondContact ND2-OD1 3.09Å; V237-N255 PolarHBondContact N-O 3.18Å; H252-N255 HydrophobicContact CB-CB 4.24Å; H252-N255 VanDerWaalsContact O-CB 3.24Å; H252-N255 WeakPolarHBondContact O-CB 3.43Å; H252-N255 PolarHBondContact O-N 3.07Å; H252-N255 PolarHBondContact O-ND2 3.4Å; E253-N255 VanDerWaalsContact C-N 3.27Å; E253-N255 PolarHBondContact O-N 3.24Å
256V98.9Very high98.1Very high0 Ų036.1 Ų36.10%017%0.167CC..EExtended strand (participates in β ladder)trans-134.8137.1-177.4-173.20000110.1F220 S225 V237 R239 C251 H252 R254F220-V256 HydrophobicContact CE2-CG2 4.15Å; S225-V256 WeakPolarHBondContact OG-CG2 3.44Å; V237-V256 HydrophobicContact CB-CG1 4.42Å; V237-V256 HydrophobicContact CB-CG2 4.2Å; V237-V256 CarbonylContact O-C 3.56Å; V237-V256 VanDerWaalsContact O-CA 3.29Å; V237-V256 WeakPolarHBondContact O-CA 3.18Å; R239-V256 HydrophobicContact CG-CG1 3.96Å; C251-V256 PolarHBondContact N-O 2.93Å; C251-V256 PolarHBondContact O-N 3.16Å; H252-V256 HydrophobicContact CB-CG2 4.27Å; R254-V256 PolarHBondContact O-N 3.27Å
257V98.9Very high97.8Very high0 Ų032.2 Ų32.20%015%0.148CC..EExtended strand (participates in β ladder)trans-123.6134.316867.60000110.6L236 V237 R239 Y248 N249 W250 I259 M276 F286L236-V257 HydrophobicContact CD1-CB 4.35Å; L236-V257 HydrophobicContact CD1-CG1 4.04Å; L236-V257 HydrophobicContact CD2-CG1 4Å; L236-V257 HydrophobicContact CG-CG1 4.32Å; V237-V257 PolarHBondContact O-N 2.84Å; R239-V257 PolarHBondContact N-O 3.21Å; Y248-V257 HydrophobicContact CD2-CG2 4.46Å; N249-V257 WeakPolarHBondContact O-CA 3.43Å; W250-V257 HydrophobicContact CD2-CB 4.07Å; W250-V257 HydrophobicContact CD2-CG2 3.95Å; W250-V257 HydrophobicContact CE3-CB 3.66Å; W250-V257 HydrophobicContact CE3-CG2 4.09Å; W250-V257 HydrophobicContact CG-CG2 4.47Å; W250-V257 HydrophobicContact CH2-CB 4.01Å; W250-V257 HydrophobicContact CH2-CG1 4.33Å; W250-V257 HydrophobicContact CH2-CG2 4.44Å; W250-V257 HydrophobicContact CZ2-CB 4.35Å; W250-V257 HydrophobicContact CZ2-CG2 4.27Å; W250-V257 HydrophobicContact CZ3-CB 3.67Å; W250-V257 HydrophobicContact CZ3-CG1 4.3Å; W250-V257 HydrophobicContact CZ3-CG2 4.36Å; V257-I259 HydrophobicContact CG1-CD1 4.48Å; V257-I259 HydrophobicContact CG2-CG1 4.39Å; V257-M276 HydrophobicContact CG1-SD 4.4Å; V257-F286 HydrophobicContact CG2-CE1 3.88Å; V257-F286 HydrophobicContact CG2-CZ 3.82Å
258T98.9Very high97.5Very high3 Ų336.4 Ų36.42%0.01816%0.163CC..EExtended strand (participates in β ladder)trans-98.3130.9169.5-59.60000109.1R239 Q242 V244 Y248 N249R239-T258 VanDerWaalsContact CD-OG1 3.27Å; R239-T258 WeakPolarHBondContact CD-OG1 3.23Å; R239-T258 CarbonylContact O-C 3.54Å; R239-T258 VanDerWaalsContact O-CA 3.32Å; R239-T258 WeakPolarHBondContact O-CA 3.29Å; Q242-T258 HydrophobicContact CB-CG2 4.16Å; V244-T258 HydrophobicContact CG1-CG2 3.82Å; V244-T258 HydrophobicContact CG2-CG2 4.24Å; Y248-T258 CarbonylContact C-O 3.53Å; Y248-T258 WeakPolarHBondContact CA-O 3.26Å; Y248-T258 WeakPolarHBondContact CB-O 3.23Å; N249-T258 PolarHBondContact N-O 3.06Å; N249-T258 PolarHBondContact O-N 2.86Å
259I98.9Very high97.2Very high0 Ų033.5 Ų33.50%015%0.152CC..EExtended strand (participates in β ladder)trans-123.7129177.3-57.1167.6000108.1V54 G56 M83 S238 R239 A240 V257 A274 M276 F286V54-I259 HydrophobicContact CB-CD1 4.44Å; V54-I259 HydrophobicContact CG1-CD1 3.98Å; G56-I259 WeakPolarHBondContact CA-O 3.36Å; M83-I259 HydrophobicContact CE-CB 3.95Å; M83-I259 HydrophobicContact CE-CD1 4.07Å; M83-I259 HydrophobicContact CE-CG1 4.44Å; S238-I259 WeakPolarHBondContact OG-CD1 3.33Å; R239-I259 PolarHBondContact O-N 2.7Å; A240-I259 WeakPolarHBondContact CA-O 3.4Å; V257-I259 HydrophobicContact CG1-CD1 4.48Å; V257-I259 HydrophobicContact CG2-CG1 4.39Å; I259-A274 WeakPolarHBondContact CG2-O 3.41Å; I259-M276 HydrophobicContact CD1-CB 3.47Å; I259-M276 VanDerWaalsContact CD1-CB 3.47Å; I259-M276 HydrophobicContact CD1-CE 4.04Å; I259-M276 HydrophobicContact CD1-CG 4.41Å; I259-M276 HydrophobicContact CD1-SD 4.2Å; I259-F286 HydrophobicContact CD1-CE1 4.33Å; I259-F286 HydrophobicContact CG1-CE1 4.2Å
260F98.8Very high97Very high1 Ų131.2 Ų31.20%0.00415%0.148CC..  trans-127.4120.8180-162.6-94.6000109.4D57 Q242 L243 V244 G247 A262 Y265 A273 A274D57-F260 HydrophobicContact CB-CD2 3.93Å; D57-F260 HydrophobicContact CB-CE2 3.6Å; D57-F260 HydrophobicContact CB-CZ 4.07Å; D57-F260 VanDerWaalsContact CG-CE2 3.4Å; D57-F260 WeakPolarHBondContact OD2-CE2 3.2Å; Q242-F260 WeakPolarHBondContact O-CD2 3.35Å; L243-F260 HydrophobicContact CB-CE2 4.38Å; L243-F260 HydrophobicContact CB-CZ 4.38Å; L243-F260 HydrophobicContact CD1-CE1 4.32Å; L243-F260 HydrophobicContact CD1-CZ 4.48Å; V244-F260 HydrophobicContact CG2-CB 3.84Å; G247-F260 PolarHBondContact O-N 3.41Å; F260-A262 HydrophobicContact CD1-CB 4.35Å; F260-A262 HydrophobicContact CE1-CB 3.7Å; F260-A262 VanDerWaalsContact CE1-O 3.26Å; F260-A262 WeakPolarHBondContact CE1-O 3.46Å; F260-A262 HydrophobicContact CZ-CB 4.22Å; F260-Y265 HydrophobicContact CE1-CD1 4.48Å; F260-Y265 HydrophobicContact CE1-CD2 4.1Å; F260-Y265 AromaticContact CE1-CG 3.91Å; F260-Y265 HydrophobicContact CE1-CG 3.91Å; F260-Y265 HydrophobicContact CZ-CD1 4Å; F260-Y265 AromaticContact CZ-CD2 3.82Å; F260-Y265 HydrophobicContact CZ-CD2 3.82Å; F260-Y265 HydrophobicContact CZ-CE1 4.25Å; F260-Y265 HydrophobicContact CZ-CE2 4.12Å; F260-Y265 AromaticContact CZ-CG 3.75Å; F260-Y265 HydrophobicContact CZ-CG 3.75Å; F260-A273 CarbonylContact O-C 3.57Å; F260-A273 VanDerWaalsContact O-CA 3.24Å; F260-A273 WeakPolarHBondContact O-CA 3.21Å; F260-A274 PolarHBondContact O-N 2.94Å
261S98.9Very high96.9Very high3 Ų328.8 Ų28.82%0.02114%0.139CC..  trans-108.49.4-168.4-59.40000114.2G56 D57 P263 A274 F289G56-S261 PolarHBondContact N-OG 2.85Å; D57-S261 CarbonylContact O-C 3.53Å; D57-S261 VanDerWaalsContact O-CA 3.25Å; D57-S261 WeakPolarHBondContact O-CA 3.2Å; D57-S261 VanDerWaalsContact O-CB 3.31Å; D57-S261 WeakPolarHBondContact O-CB 3.42Å; D57-S261 PolarHBondContact O-N 2.74Å; S261-P263 WeakPolarHBondContact O-CD 3.09Å; S261-A274 PolarHBondContact OG-O 3.29Å; S261-F289 WeakPolarHBondContact O-CZ 3.32Å
262A98.5Very high96.9Very high0 Ų030.4 Ų30.40%015%0.145CC..  trans-105.996.3176.200000111D57 F260 Y265 N271D57-A262 PolarHBondContact O-N 3.07Å; F260-A262 HydrophobicContact CD1-CB 4.35Å; F260-A262 HydrophobicContact CE1-CB 3.7Å; F260-A262 VanDerWaalsContact CE1-O 3.26Å; F260-A262 WeakPolarHBondContact CE1-O 3.46Å; F260-A262 HydrophobicContact CZ-CB 4.22Å; A262-Y265 HydrophobicContact CB-CD2 4.07Å; A262-N271 PolarHBondContact O-ND2 3.4Å
263P98.2Very high96.9Very high0 Ų029.9 Ų29.90%014%0.143CC..THydrogen-bonded Turntrans-73.7148.4-176.532.1-36.4000110.4Q61 D64 S261 Y265 A273 F289 P291Q61-P263 PolarHBondContact NE2-O 2.94Å; D64-P263 HydrophobicContact CB-CG 3.75Å; S261-P263 WeakPolarHBondContact O-CD 3.09Å; P263-Y265 VanDerWaalsContact C-N 3.26Å; P263-Y265 PolarHBondContact O-N 2.95Å; P263-A273 HydrophobicContact CB-CB 3.63Å; P263-A273 HydrophobicContact CG-CB 3.99Å; P263-F289 HydrophobicContact CG-CD2 4.17Å; P263-F289 HydrophobicContact CG-CE2 3.85Å; P263-P291 HydrophobicContact CB-CB 4.39Å; P263-P291 HydrophobicContact CB-CG 3.87Å; P263-P291 HydrophobicContact CG-CB 4.26Å; P263-P291 HydrophobicContact CG-CG 4.26Å
264N97.1Very high97Very high38 Ų3822.7 Ų22.720%0.20311%0.109CC..THydrogen-bonded Turntrans42.855.5-171.9-176.434000111.5Y267 R268 C269 G270 N271 P291N264-Y267 WeakPolarHBondContact O-CA 3.28Å; N264-Y267 PolarHBondContact O-N 3.42Å; N264-R268 PolarHBondContact O-N 3.09Å; N264-R268 VanDerWaalsContact OD1-C 3.3Å; N264-R268 WeakPolarHBondContact OD1-CA 3.13Å; N264-R268 PolarHBondContact OD1-N 2.75Å; N264-R268 VanDerWaalsContact OD1-N 3.15Å; N264-C269 PolarHBondContact OD1-N 3.09Å; N264-G270 WeakPolarHBondContact OD1-CA 3.35Å; N264-G270 PolarHBondContact OD1-N 2.81Å; N264-N271 PolarHBondContact N-O 2.98Å; N264-P291 HydrophobicContact CB-CB 4.43Å; N264-P291 HydrophobicContact CB-CG 3.38Å
265Y97.1Very high97Very high10 Ų1015.2 Ų15.24%0.0398%0.081CC..G310 helixtrans-48.6140.4-170.2-178.1-132.8000113H59 R89 L243 F260 A262 P263 Y267 R268 C269 N271 F308H59-Y265 HydrophobicContact CB-CD2 4.47Å; H59-Y265 HydrophobicContact CB-CE2 3.71Å; H59-Y265 AromaticContact CD2-CE2 3.12Å; H59-Y265 WeakPolarHBondContact CD2-CE2 3.19Å; H59-Y265 AromaticContact CD2-CZ 3.48Å; H59-Y265 VanDerWaalsContact CD2-CZ 3.48Å; H59-Y265 PolarHBondContact CD2-OH 3.39Å; H59-Y265 VanDerWaalsContact CD2-OH 3.23Å; H59-Y265 PolarHBondContact CE1-OH 3.29Å; H59-Y265 AromaticContact CG-CE2 3.57Å; H59-Y265 AromaticContact NE2-CE2 3.79Å; H59-Y265 AromaticContact NE2-CZ 3.62Å; H59-Y265 PolarHBondContact NE2-OH 3.11Å; R89-Y265 HydrophobicContact CB-CE2 4.29Å; R89-Y265 HydrophobicContact CG-CE2 4.11Å; R89-Y265 WeakPolarHBondContact CG-OH 3.13Å; L243-Y265 HydrophobicContact CD1-CD1 3.56Å; L243-Y265 HydrophobicContact CD1-CG 3.96Å; F260-Y265 HydrophobicContact CE1-CD1 4.48Å; F260-Y265 HydrophobicContact CE1-CD2 4.1Å; F260-Y265 AromaticContact CE1-CG 3.91Å; F260-Y265 HydrophobicContact CE1-CG 3.91Å; F260-Y265 HydrophobicContact CZ-CD1 4Å; F260-Y265 AromaticContact CZ-CD2 3.82Å; F260-Y265 HydrophobicContact CZ-CD2 3.82Å; F260-Y265 HydrophobicContact CZ-CE1 4.25Å; F260-Y265 HydrophobicContact CZ-CE2 4.12Å; F260-Y265 AromaticContact CZ-CG 3.75Å; F260-Y265 HydrophobicContact CZ-CG 3.75Å; A262-Y265 HydrophobicContact CB-CD2 4.07Å; P263-Y265 VanDerWaalsContact C-N 3.26Å; P263-Y265 PolarHBondContact O-N 2.95Å; Y265-Y267 PolarHBondContact O-N 3.3Å; Y265-R268 PolarHBondContact O-N 3.19Å; Y265-R268 VanDerWaalsContact O-N 3.08Å; Y265-C269 WeakPolarHBondContact O-CB 3.49Å; Y265-C269 PolarHBondContact O-N 3.34Å; Y265-C269 PolarHBondContact O-SG 2.79Å; Y265-N271 WeakPolarHBondContact CB-OD1 3.24Å; Y265-N271 PolarHBondContact N-OD1 2.95Å; Y265-F308 HydrophobicContact CD1-CD1 4.2Å; Y265-F308 HydrophobicContact CD1-CE1 4.12Å; Y265-F308 HydrophobicContact CD1-CE2 4.38Å; Y265-F308 HydrophobicContact CD1-CG 4.44Å; Y265-F308 HydrophobicContact CD1-CZ 4.22Å; Y265-F308 AromaticContact CE1-CD1 3.65Å; Y265-F308 HydrophobicContact CE1-CD1 3.65Å; Y265-F308 AromaticContact CE1-CE1 3.4Å; Y265-F308 HydrophobicContact CE1-CE1 3.4Å; Y265-F308 VanDerWaalsContact CE1-CE1 3.4Å; Y265-F308 HydrophobicContact CE1-CE2 4.42Å; Y265-F308 HydrophobicContact CE1-CG 4.32Å; Y265-F308 AromaticContact CE1-CZ 3.85Å; Y265-F308 HydrophobicContact CE1-CZ 3.85Å
266C92.7Very high97Very high22 Ų2213.7 Ų13.715%0.1497%0.072CC..G310 helixtrans53.124.5-174.2-630000112.9R268 F308C266-R268 HydrophobicContact CB-CG 4.19Å; C266-R268 PolarHBondContact O-N 2.96Å; C266-F308 HydrophobicContact CB-CE2 4.35Å; C266-F308 HydrophobicContact CB-CZ 4.2Å; C266-F308 WeakPolarHBondContact SG-CZ 3.42Å
267Y92Very high97Very high29 Ų2916.3 Ų16.311%0.1149%0.085CC..G310 helixtrans60.923.6-178.2-39.9-47.8000114.3Q61 G90 Y91 N264 Y265 R294Q61-Y267 HydrophobicContact CG-CE1 3.84Å; G90-Y267 VanDerWaalsContact CA-OH 3.25Å; G90-Y267 WeakPolarHBondContact CA-OH 3.25Å; Y91-Y267 HydrophobicContact CD2-CD2 4.19Å; Y91-Y267 AromaticContact CD2-CE2 3.32Å; Y91-Y267 HydrophobicContact CD2-CE2 3.32Å; Y91-Y267 AromaticContact CD2-CZ 3.84Å; Y91-Y267 AromaticContact CE2-CD2 3.6Å; Y91-Y267 HydrophobicContact CE2-CD2 3.6Å; Y91-Y267 AromaticContact CE2-CE2 3.19Å; Y91-Y267 HydrophobicContact CE2-CE2 3.19Å; Y91-Y267 HydrophobicContact CG-CE2 4.13Å; Y91-Y267 AromaticContact CZ-CE2 3.9Å; Y91-Y267 PolarHBondContact N-OH 3.48Å; Y91-Y267 VanDerWaalsContact N-OH 3.14Å; N264-Y267 WeakPolarHBondContact O-CA 3.28Å; N264-Y267 PolarHBondContact O-N 3.42Å; Y265-Y267 PolarHBondContact O-N 3.3Å; Y267-R294 VanDerWaalsContact CD1-CZ 3.42Å; Y267-R294 VanDerWaalsContact CE1-NH1 3.34Å
268R92.3Very high97Very high87 Ų8716.4 Ų16.433%0.3289%0.085SC..THydrogen-bonded Turntrans-149.9-23.3-173.471.2-174.7-159.1-165.5-3.8116.7N264 Y265 C266 G270 Y307N264-R268 PolarHBondContact O-N 3.09Å; N264-R268 VanDerWaalsContact OD1-C 3.3Å; N264-R268 WeakPolarHBondContact OD1-CA 3.13Å; N264-R268 PolarHBondContact OD1-N 2.75Å; N264-R268 VanDerWaalsContact OD1-N 3.15Å; Y265-R268 PolarHBondContact O-N 3.19Å; Y265-R268 VanDerWaalsContact O-N 3.08Å; C266-R268 HydrophobicContact CB-CG 4.19Å; C266-R268 PolarHBondContact O-N 2.96Å; R268-G270 VanDerWaalsContact C-N 3.28Å; R268-G270 PolarHBondContact O-N 3.43Å; R268-Y307 PolarHBondContact NH2-OH 3.17Å
269C91Very high96.9Very high2 Ų219.1 Ų19.11%0.01410%0.1CC..SBendtrans-73.9-20.5-172.2-64.10000113.2L243 N264 Y265 N271 T304 F308L243-C269 HydrophobicContact CD1-CB 3.62Å; N264-C269 PolarHBondContact OD1-N 3.09Å; Y265-C269 WeakPolarHBondContact O-CB 3.49Å; Y265-C269 PolarHBondContact O-N 3.34Å; Y265-C269 PolarHBondContact O-SG 2.79Å; C269-N271 PolarHBondContact O-N 2.88Å; C269-T304 HydrophobicContact CB-CG2 4.13Å; C269-T304 PolarHBondContact O-OG1 3.48Å; C269-F308 WeakPolarHBondContact SG-CD2 3.46Å; C269-F308 VanDerWaalsContact SG-CE2 3.53Å
270G93.9Very high96.8Very high35 Ų3525.1 Ų25.136%0.36113%0.132SC..  trans67.21317500000115.6N264 R268N264-G270 WeakPolarHBondContact OD1-CA 3.35Å; N264-G270 PolarHBondContact OD1-N 2.81Å; R268-G270 VanDerWaalsContact C-N 3.28Å; R268-G270 PolarHBondContact O-N 3.43Å
271N98Very high96.6Very high3 Ų329.4 Ų29.42%0.01616%0.158CC..  trans-70.1153.4170.962.9-70.1000111.4L243 M245 A262 N264 Y265 C269L243-N271 HydrophobicContact CD1-CB 4.43Å; L243-N271 HydrophobicContact CD2-CB 4.32Å; L243-N271 HydrophobicContact CG-CB 4.36Å; M245-N271 HydrophobicContact CE-CB 4.19Å; M245-N271 CarbonylContact O-C 3.6Å; M245-N271 VanDerWaalsContact O-CA 3.31Å; M245-N271 WeakPolarHBondContact O-CA 3.28Å; M245-N271 HydrophobicContact SD-CB 4.03Å; A262-N271 PolarHBondContact O-ND2 3.4Å; N264-N271 PolarHBondContact N-O 2.98Å; Y265-N271 WeakPolarHBondContact CB-OD1 3.24Å; Y265-N271 PolarHBondContact N-OD1 2.95Å; C269-N271 PolarHBondContact O-N 2.88Å
272Q97.9Very high96.4Very high54 Ų5430.6 Ų30.625%0.25216%0.164SC..  trans-75.5166159.4-56.6-163-73.100109.9M245 G247 D290M245-Q272 PolarHBondContact O-N 3.2Å; G247-Q272 VanDerWaalsContact CA-O 3.22Å; G247-Q272 WeakPolarHBondContact CA-O 3.29Å; G247-Q272 PolarHBondContact N-O 3.04Å; Q272-D290 PolarHBondContact NE2-OD1 2.78Å
273A98.8Very high96.3Very high0 Ų037.1 Ų37.10%019%0.193CC..EExtended strand (participates in β ladder)trans-111.2161.4166.700000110.6F260 P263 Q288 F289F260-A273 CarbonylContact O-C 3.57Å; F260-A273 VanDerWaalsContact O-CA 3.24Å; F260-A273 WeakPolarHBondContact O-CA 3.21Å; P263-A273 HydrophobicContact CB-CB 3.63Å; P263-A273 HydrophobicContact CG-CB 3.99Å; A273-Q288 CarbonylContact O-C 3.49Å; A273-Q288 VanDerWaalsContact O-CA 3.22Å; A273-Q288 WeakPolarHBondContact O-CA 3.48Å; A273-F289 HydrophobicContact CB-CD1 3.99Å; A273-F289 HydrophobicContact CB-CD2 4.08Å; A273-F289 HydrophobicContact CB-CE1 3.55Å; A273-F289 HydrophobicContact CB-CE2 3.66Å; A273-F289 HydrophobicContact CB-CG 4.23Å; A273-F289 HydrophobicContact CB-CZ 3.37Å; A273-F289 PolarHBondContact N-O 3.13Å; A273-F289 PolarHBondContact O-N 3.08Å
274A98.8Very high96.2Very high0 Ų042 Ų420%021%0.212CC..EExtended strand (participates in β ladder)trans-142.6163.9171.200000112.5G247 Y248 I259 F260 S261 L287 Q288G247-A274 WeakPolarHBondContact O-CB 3.2Å; Y248-A274 HydrophobicContact CD1-CB 3.96Å; Y248-A274 HydrophobicContact CG-CB 4.47Å; I259-A274 WeakPolarHBondContact CG2-O 3.41Å; F260-A274 PolarHBondContact O-N 2.94Å; S261-A274 PolarHBondContact OG-O 3.29Å; A274-L287 CarbonylContact C-O 3.51Å; A274-L287 VanDerWaalsContact CA-O 3.22Å; A274-L287 WeakPolarHBondContact CA-O 3.4Å; A274-Q288 HydrophobicContact CB-CG 4.12Å
275I98.9Very high96.2Very high0 Ų043 Ų430%022%0.221CC..EExtended strand (participates in β ladder)trans-130.5151.9164.956.5-174.2000109T53 C55 L68 I71 F286 L287 F289T53-I275 HydrophobicContact CG2-CB 3.97Å; T53-I275 HydrophobicContact CG2-CD1 3.83Å; T53-I275 HydrophobicContact CG2-CG1 4.15Å; C55-I275 HydrophobicContact CB-CG2 4.35Å; L68-I275 HydrophobicContact CD1-CG2 3.65Å; L68-I275 HydrophobicContact CD2-CG2 4.32Å; L68-I275 HydrophobicContact CG-CG2 3.71Å; I71-I275 HydrophobicContact CG2-CD1 4.17Å; I275-F286 WeakPolarHBondContact O-CA 3.4Å; I275-L287 HydrophobicContact CD1-CB 4.43Å; I275-L287 HydrophobicContact CD1-CD1 4.43Å; I275-L287 HydrophobicContact CG1-CB 3.91Å; I275-L287 PolarHBondContact N-O 3.01Å; I275-L287 PolarHBondContact O-N 3.4Å; I275-F289 HydrophobicContact CG2-CE1 4.29Å
276M98.8Very high96.3Very high0 Ų044.3 Ų44.30%023%0.227CC..EExtended strand (participates in β ladder)trans-109.8116.3176.3178.8-179.368.300109.8T53 V54 L236 V257 I259 L278 S285 F286T53-M276 CarbonylContact C-O 3.49Å; T53-M276 WeakPolarHBondContact CA-O 3.26Å; V54-M276 HydrophobicContact CB-CB 4.3Å; V54-M276 HydrophobicContact CB-CE 3.88Å; V54-M276 HydrophobicContact CG1-CE 4.19Å; V54-M276 HydrophobicContact CG2-CE 3.81Å; V54-M276 PolarHBondContact N-O 3.22Å; V54-M276 PolarHBondContact O-N 2.73Å; L236-M276 HydrophobicContact CD2-SD 4.43Å; V257-M276 HydrophobicContact CG1-SD 4.4Å; I259-M276 HydrophobicContact CD1-CB 3.47Å; I259-M276 VanDerWaalsContact CD1-CB 3.47Å; I259-M276 HydrophobicContact CD1-CE 4.04Å; I259-M276 HydrophobicContact CD1-CG 4.41Å; I259-M276 HydrophobicContact CD1-SD 4.2Å; M276-L278 HydrophobicContact CE-CD1 4.22Å; M276-L278 HydrophobicContact CE-CD2 4.19Å; M276-L278 HydrophobicContact CE-CG 4.25Å; M276-L278 HydrophobicContact CG-CD2 4.48Å; M276-L278 HydrophobicContact SD-CD2 4.35Å; M276-S285 CarbonylContact C-O 3.5Å; M276-S285 WeakPolarHBondContact CA-O 3.4Å; M276-F286 HydrophobicContact CB-CD1 3.96Å; M276-F286 HydrophobicContact CB-CE1 3.7Å; M276-F286 HydrophobicContact CB-CZ 4.35Å; M276-F286 HydrophobicContact CG-CD1 4.32Å; M276-F286 HydrophobicContact CG-CE1 3.82Å; M276-F286 HydrophobicContact CG-CZ 3.96Å; M276-F286 HydrophobicContact SD-CE1 3.96Å; M276-F286 HydrophobicContact SD-CZ 3.76Å
277E98.8Very high96.6Very high55 Ų5545.8 Ų45.826%0.25723%0.234SC..EExtended strand (participates in β ladder)trans-89130173.4-61.9-173.1141.200109.9T53 Y284 S285 L287T53-E277 HydrophobicContact CG2-CG 4.13Å; E277-Y284 CarbonylContact O-C 3.59Å; E277-Y284 VanDerWaalsContact O-CA 3.22Å; E277-Y284 WeakPolarHBondContact O-CA 3.11Å; E277-S285 PolarHBondContact N-O 2.8Å; E277-S285 PolarHBondContact O-N 3.21Å; E277-L287 VanDerWaalsContact CD-CD1 3.45Å; E277-L287 HydrophobicContact CG-CD1 4.14Å; E277-L287 WeakPolarHBondContact OE1-CD1 3.49Å
278L98.6Very high96.9Very high3 Ų348.3 Ų48.32%0.01625%0.246CC..EExtended strand (participates in β ladder)trans-108.5117.1170.8-62.1172.3000108.5P51 V52 V54 V159 I163 M276 L282 K283P51-L278 CarbonylContact C-O 3.05Å; P51-L278 WeakPolarHBondContact CA-O 3.49Å; P51-L278 WeakPolarHBondContact CB-O 3.47Å; V52-L278 HydrophobicContact CG1-CB 4.23Å; V52-L278 HydrophobicContact CG1-CD1 3.94Å; V52-L278 PolarHBondContact N-O 2.52Å; V52-L278 WeakPolarHBondContact O-CB 3.36Å; V52-L278 PolarHBondContact O-N 3.35Å; V54-L278 HydrophobicContact CG2-CD1 4.01Å; V159-L278 HydrophobicContact CB-CD1 4.35Å; V159-L278 HydrophobicContact CG1-CD1 3.93Å; V159-L278 HydrophobicContact CG2-CD1 4.42Å; I163-L278 HydrophobicContact CD1-CD1 3.76Å; I163-L278 HydrophobicContact CD1-CD2 3.54Å; I163-L278 HydrophobicContact CD1-CG 4.32Å; M276-L278 HydrophobicContact CE-CD1 4.22Å; M276-L278 HydrophobicContact CE-CD2 4.19Å; M276-L278 HydrophobicContact CE-CG 4.25Å; M276-L278 HydrophobicContact CG-CD2 4.48Å; M276-L278 HydrophobicContact SD-CD2 4.35Å; L278-L282 HydrophobicContact CD1-CD2 4.41Å; L278-K283 WeakPolarHBondContact CA-O 3.5Å
279D97.6Very high97.2Very high60 Ų6044.6 Ų44.632%0.32123%0.233SC..  trans-75.4179.7177.780.52.4000112.9C50 T281 L282 K283C50-D279 WeakPolarHBondContact CB-O 3.34Å; C50-D279 PolarHBondContact SG-O 2.9Å; D279-T281 PolarHBondContact O-N 2.86Å; D279-T281 VanDerWaalsContact OD1-C 3.25Å; D279-T281 VanDerWaalsContact OD1-CA 3.27Å; D279-T281 WeakPolarHBondContact OD1-CA 3.47Å; D279-T281 PolarHBondContact OD1-N 2.69Å; D279-T281 PolarHBondContact OD1-OG1 2.84Å; D279-T281 PolarHBondContact OD2-OG1 2.99Å; D279-L282 PolarHBondContact O-N 3.04Å; D279-L282 PolarHBondContact OD1-N 3.16Å; D279-L282 VanDerWaalsContact OD1-N 3.17Å; D279-K283 PolarHBondContact N-O 3.35Å; D279-K283 PolarHBondContact OD1-N 3.24Å
280D95.8Very high97.5Very high125 Ų12549.2 Ų49.267%0.66826%0.257SS*.THydrogen-bonded Turntrans-58.3-10.1178.9-57-74.8000114.4C50 P51C50-D280 VanDerWaalsContact SG-CA 3.58Å; C50-D280 PolarHBondContact SG-O 3.08Å; C50-D280 VanDerWaalsContact SG-O 3.36Å; P51-D280 WeakPolarHBondContact CD-OD1 3.3Å
281T95.6Very high97.6Very high92 Ų9249.8 Ų49.856%0.56426%0.255SS*.THydrogen-bonded Turntrans-121.118.2-179.863.60000113D279 K283D279-T281 PolarHBondContact O-N 2.86Å; D279-T281 VanDerWaalsContact OD1-C 3.25Å; D279-T281 VanDerWaalsContact OD1-CA 3.27Å; D279-T281 WeakPolarHBondContact OD1-CA 3.47Å; D279-T281 PolarHBondContact OD1-N 2.69Å; D279-T281 PolarHBondContact OD1-OG1 2.84Å; D279-T281 PolarHBondContact OD2-OG1 2.99Å; T281-K283 PolarHBondContact O-N 2.88Å
282L94.6Very high97.4Very high27 Ų2750.1 Ų50.114%0.14126%0.258CS..  trans61.118.5-177.2-71.6163.7000114.9C50 V159 D160 Q162 I163 L278 D279 Y284C50-L282 HydrophobicContact CB-CD2 4.35Å; V159-L282 HydrophobicContact CG1-CD2 4.08Å; D160-L282 HydrophobicContact CB-CD1 3.78Å; D160-L282 HydrophobicContact CB-CD2 4.13Å; D160-L282 HydrophobicContact CB-CG 4.23Å; Q162-L282 HydrophobicContact CB-CD1 4.16Å; Q162-L282 HydrophobicContact CG-CD1 4.45Å; I163-L282 HydrophobicContact CD1-CD2 3.96Å; I163-L282 HydrophobicContact CG1-CD2 4.41Å; L278-L282 HydrophobicContact CD1-CD2 4.41Å; D279-L282 PolarHBondContact O-N 3.04Å; D279-L282 PolarHBondContact OD1-N 3.16Å; D279-L282 VanDerWaalsContact OD1-N 3.17Å; L282-Y284 PolarHBondContact O-N 3.35Å
283K96.5Very high96.9Very high138 Ų13853.5 Ų53.560%0.628%0.284SS*.  trans-71.8127.4170-62.7176.9-172.7168.10108.3L278 D279 T281L278-K283 WeakPolarHBondContact CA-O 3.5Å; D279-K283 PolarHBondContact N-O 3.35Å; D279-K283 PolarHBondContact OD1-N 3.24Å; T281-K283 PolarHBondContact O-N 2.88Å
284Y95.9Very high95.6Very high103 Ų10356.4 Ų56.440%0.40430%0.295SS..EExtended strand (participates in β ladder)trans-91.2138.3176.646.9-98.3000112W250 E277 L282 F286W250-Y284 HydrophobicContact CH2-CE1 4.46Å; W250-Y284 HydrophobicContact CH2-CE2 4.11Å; W250-Y284 HydrophobicContact CZ2-CD2 4Å; W250-Y284 AromaticContact CZ2-CE2 3.66Å; W250-Y284 HydrophobicContact CZ2-CE2 3.66Å; E277-Y284 CarbonylContact O-C 3.59Å; E277-Y284 VanDerWaalsContact O-CA 3.22Å; E277-Y284 WeakPolarHBondContact O-CA 3.11Å; L282-Y284 PolarHBondContact O-N 3.35Å; Y284-F286 AromaticContact CD2-CE2 3.94Å; Y284-F286 HydrophobicContact CD2-CE2 3.94Å
285S97.7Very high93.6Very high57 Ų5768.7 Ų68.740%0.39934%0.341SS..EExtended strand (participates in β ladder)trans-130.8144.6163.347.60000110.4M276 E277M276-S285 CarbonylContact C-O 3.5Å; M276-S285 WeakPolarHBondContact CA-O 3.4Å; E277-S285 PolarHBondContact N-O 2.8Å; E277-S285 PolarHBondContact O-N 3.21Å
286F98.6Very high91.5Very high38 Ų3872.3 Ų72.317%0.16738%0.379CS..EExtended strand (participates in β ladder)trans-103.8131.6177.7-64-90.5000110Y248 W250 V257 I259 I275 M276 Y284Y248-F286 HydrophobicContact CD1-CB 4.03Å; Y248-F286 HydrophobicContact CD1-CD1 4.05Å; Y248-F286 HydrophobicContact CD1-CG 4.12Å; Y248-F286 AromaticContact CD2-CD1 3.6Å; Y248-F286 HydrophobicContact CD2-CD1 3.6Å; Y248-F286 HydrophobicContact CD2-CD2 4.08Å; Y248-F286 AromaticContact CD2-CE1 3.74Å; Y248-F286 HydrophobicContact CD2-CE1 3.74Å; Y248-F286 HydrophobicContact CD2-CE2 4.24Å; Y248-F286 AromaticContact CD2-CG 3.78Å; Y248-F286 HydrophobicContact CD2-CG 3.78Å; Y248-F286 HydrophobicContact CD2-CZ 4.08Å; Y248-F286 HydrophobicContact CE1-CB 3.85Å; Y248-F286 HydrophobicContact CE1-CG 4.15Å; Y248-F286 HydrophobicContact CE2-CB 4.34Å; Y248-F286 HydrophobicContact CE2-CD1 4.13Å; Y248-F286 AromaticContact CE2-CD2 3.81Å; Y248-F286 HydrophobicContact CE2-CD2 3.81Å; Y248-F286 HydrophobicContact CE2-CE1 4.43Å; Y248-F286 HydrophobicContact CE2-CE2 4.17Å; Y248-F286 AromaticContact CE2-CG 3.81Å; Y248-F286 HydrophobicContact CE2-CG 3.81Å; Y248-F286 HydrophobicContact CE2-CZ 4.47Å; Y248-F286 HydrophobicContact CG-CB 4.36Å; Y248-F286 AromaticContact CG-CD1 3.55Å; Y248-F286 HydrophobicContact CG-CD1 3.55Å; Y248-F286 HydrophobicContact CG-CE1 4.01Å; Y248-F286 AromaticContact CG-CG 3.94Å; Y248-F286 HydrophobicContact CG-CG 3.94Å; W250-F286 AromaticContact CE2-CE2 3.85Å; W250-F286 AromaticContact CE2-CZ 3.88Å; W250-F286 HydrophobicContact CH2-CZ 4.43Å; W250-F286 AromaticContact CZ2-CE2 3.56Å; W250-F286 HydrophobicContact CZ2-CE2 3.56Å; W250-F286 AromaticContact CZ2-CZ 3.54Å; W250-F286 HydrophobicContact CZ2-CZ 3.54Å; W250-F286 AromaticContact NE1-CE2 3.64Å; W250-F286 AromaticContact NE1-CZ 3.95Å; V257-F286 HydrophobicContact CG2-CE1 3.88Å; V257-F286 HydrophobicContact CG2-CZ 3.82Å; I259-F286 HydrophobicContact CD1-CE1 4.33Å; I259-F286 HydrophobicContact CG1-CE1 4.2Å; I275-F286 WeakPolarHBondContact O-CA 3.4Å; M276-F286 HydrophobicContact CB-CD1 3.96Å; M276-F286 HydrophobicContact CB-CE1 3.7Å; M276-F286 HydrophobicContact CB-CZ 4.35Å; M276-F286 HydrophobicContact CG-CD1 4.32Å; M276-F286 HydrophobicContact CG-CE1 3.82Å; M276-F286 HydrophobicContact CG-CZ 3.96Å; M276-F286 HydrophobicContact SD-CE1 3.96Å; M276-F286 HydrophobicContact SD-CZ 3.76Å; Y284-F286 AromaticContact CD2-CE2 3.94Å; Y284-F286 HydrophobicContact CD2-CE2 3.94Å
287L98.6Very high89.3Confident54 Ų5477.5 Ų77.528%0.28340%0.403SS..EExtended strand (participates in β ladder)trans-111.3111.8171.9-57.8-179.4000108.2I71 A274 I275 E277I71-L287 HydrophobicContact CG2-CB 3.85Å; I71-L287 HydrophobicContact CG2-CD1 3.81Å; I71-L287 HydrophobicContact CG2-CG 4.47Å; A274-L287 CarbonylContact C-O 3.51Å; A274-L287 VanDerWaalsContact CA-O 3.22Å; A274-L287 WeakPolarHBondContact CA-O 3.4Å; I275-L287 HydrophobicContact CD1-CB 4.43Å; I275-L287 HydrophobicContact CD1-CD1 4.43Å; I275-L287 HydrophobicContact CG1-CB 3.91Å; I275-L287 PolarHBondContact N-O 3.01Å; I275-L287 PolarHBondContact O-N 3.4Å; E277-L287 VanDerWaalsContact CD-CD1 3.45Å; E277-L287 HydrophobicContact CG-CD1 4.14Å; E277-L287 WeakPolarHBondContact OE1-CD1 3.49Å
288Q98.6Very high86.6Confident82 Ų8279.8 Ų79.838%0.38342%0.423SS..EExtended strand (participates in β ladder)trans-89.4149.5176.2-66.3171.9-85.100110.8E246 Y248 A273 A274E246-Q288 PolarHBondContact O-NE2 3.33Å; Y248-Q288 HydrophobicContact CD1-CG 4.07Å; Y248-Q288 HydrophobicContact CE1-CG 3.92Å; A273-Q288 CarbonylContact O-C 3.49Å; A273-Q288 VanDerWaalsContact O-CA 3.22Å; A273-Q288 WeakPolarHBondContact O-CA 3.48Å; A274-Q288 HydrophobicContact CB-CG 4.12Å
289F98.4Very high84Confident9 Ų989.1 Ų89.14%0.03947%0.466CS..EExtended strand (participates in β ladder)trans-151.1149.5178.866.2-83.8000113.8E67 L68 I71 S261 P263 A273 I275E67-F289 HydrophobicContact CG-CD2 4.3Å; L68-F289 HydrophobicContact CB-CE2 4.45Å; L68-F289 HydrophobicContact CB-CZ 3.97Å; L68-F289 HydrophobicContact CD1-CZ 4.27Å; L68-F289 HydrophobicContact CG-CZ 4.34Å; I71-F289 HydrophobicContact CD1-CB 3.12Å; I71-F289 HydrophobicContact CD1-CD1 4.15Å; I71-F289 HydrophobicContact CD1-CD2 4.25Å; I71-F289 HydrophobicContact CD1-CG 3.63Å; S261-F289 WeakPolarHBondContact O-CZ 3.32Å; P263-F289 HydrophobicContact CG-CD2 4.17Å; P263-F289 HydrophobicContact CG-CE2 3.85Å; A273-F289 HydrophobicContact CB-CD1 3.99Å; A273-F289 HydrophobicContact CB-CD2 4.08Å; A273-F289 HydrophobicContact CB-CE1 3.55Å; A273-F289 HydrophobicContact CB-CE2 3.66Å; A273-F289 HydrophobicContact CB-CG 4.23Å; A273-F289 HydrophobicContact CB-CZ 3.37Å; A273-F289 PolarHBondContact N-O 3.13Å; A273-F289 PolarHBondContact O-N 3.08Å; I275-F289 HydrophobicContact CG2-CE1 4.29Å
290D97.8Very high81.7Confident98 Ų9891 Ų9152%0.52448%0.48SS..PPolyproline II helixtrans-91166.4176.1-68.7-39.5000110.7Q272Q272-D290 PolarHBondContact NE2-OD1 2.78Å
291P96.4Very high79.3Confident48 Ų4891.4 Ų91.431%0.31249%0.487SS..PPolyproline II helixtrans-57.4144.4178.1-20.330.3000112.5D64 P263 N264D64-P291 WeakPolarHBondContact OD1-CA 3.34Å; P263-P291 HydrophobicContact CB-CB 4.39Å; P263-P291 HydrophobicContact CB-CG 3.87Å; P263-P291 HydrophobicContact CG-CB 4.26Å; P263-P291 HydrophobicContact CG-CG 4.26Å; N264-P291 HydrophobicContact CB-CB 4.43Å; N264-P291 HydrophobicContact CB-CG 3.38Å
292A93.4Very high77.1Confident10 Ų1097.8 Ų97.88%0.08350%0.5CS..PPolyproline II helixtrans-57.2140.7174.700000110.3H63 D64 E67 R294H63-A292 HydrophobicContact CB-CB 4.29Å; H63-A292 WeakPolarHBondContact O-CB 3.38Å; D64-A292 PolarHBondContact OD1-N 3.06Å; E67-A292 HydrophobicContact CB-CB 4.17Å; A292-R294 PolarHBondContact O-N 2.61Å; A292-R294 VanDerWaalsContact O-N 3.07Å
293P86.2Confident75Confident124 Ų124107 Ų10781%0.80553%0.533SS*.PPolyproline II helixtrans-59.6116.7179.7-21.731000111.6
294R72Confident72.9Confident61 Ų61101.9 Ų101.923%0.2351%0.514CS..PPolyproline II helixtrans-95130.5175.1-62.6-179-171.9178.95.9110.4D64 Y267 A292 G296 E297D64-R294 IonicContact OD2-NH2 3.55Å; D64-R294 PolarHBondContact OD2-NH2 2.93Å; D64-R294 VanDerWaalsContact OD2-NH2 3.08Å; Y267-R294 VanDerWaalsContact CD1-CZ 3.42Å; Y267-R294 VanDerWaalsContact CE1-NH1 3.34Å; A292-R294 PolarHBondContact O-N 2.61Å; A292-R294 VanDerWaalsContact O-N 3.07Å; R294-G296 PolarHBondContact O-N 2.96Å; R294-E297 HydrophobicContact CB-CG 4.47Å; R294-E297 WeakPolarHBondContact CD-OE1 3.28Å; R294-E297 WeakPolarHBondContact CD-OE2 3.35Å; R294-E297 IonicContact NH1-OE1 2.79Å; R294-E297 PolarHBondContact NH1-OE1 3.25Å; R294-E297 IonicContact NH1-OE2 2.7Å
295R57Low71.2Confident258 Ų25898.7 Ų98.797%0.97451%0.506SS*.THydrogen-bonded Turntrans-70.7110.6172.2-78.2-173.8176.1-172.2-0.1109.4
296G55.3Low69.1Low76 Ų76102.6 Ų102.678%0.78452%0.522SS*.THydrogen-bonded Turntrans98.911.1162.800000117.6R294R294-G296 PolarHBondContact O-N 2.96Å
297E51.6Low67.2Low109 Ų109107.6 Ų107.651%0.50954%0.54SS..  trans-86.9129174.6-80-175.8-172.900112.2R294R294-E297 HydrophobicContact CB-CG 4.47Å; R294-E297 WeakPolarHBondContact CD-OE1 3.28Å; R294-E297 WeakPolarHBondContact CD-OE2 3.35Å; R294-E297 IonicContact NH1-OE1 2.79Å; R294-E297 PolarHBondContact NH1-OE1 3.25Å; R294-E297 IonicContact NH1-OE2 2.7Å
298P41.8Very low65Low103 Ų103105.7 Ų105.767%0.66953%0.53SS*.  trans-69149169.828.4-32.2000110.8V300P298-V300 PolarHBondContact O-N 2.87Å
299H44.5Very low62.8Low199 Ų199107.9 Ų107.992%0.92154%0.544SS*.  trans-58.9103.8171.1-87.414.2000110.4
300V48.9Very low61Low101 Ų101112.9 Ų112.961%0.61257%0.569SS**  trans-79.9136.5172.9-173.80000109P298 R302P298-V300 PolarHBondContact O-N 2.87Å; V300-R302 PolarHBondContact O-N 3.46Å
301T45.3Very low59Low133 Ų133113.6 Ų113.682%0.81657%0.571SS**  trans-62.5129.5-177.332.10000112.2R303T301-R303 PolarHBondContact O-N 3.33Å
302R50.3Low57Low226 Ų226117.3 Ų117.385%0.85359%0.586SS**  trans-67.9105.1-176.5-61.1174.4179-179.9-4.4111.2V300V300-R302 PolarHBondContact O-N 3.46Å
303R50.2Low54.8Low220 Ų220123.6 Ų123.683%0.8362%0.615SS**  trans-151108.1162.4-144.1177.6-174.1-169.30.1110T301 P305T301-R303 PolarHBondContact O-N 3.33Å; R303-P305 VanDerWaalsContact O-CD 3.3Å; R303-P305 WeakPolarHBondContact O-CD 3.15Å
304T51.9Low52.9Low31 Ų31123.6 Ų123.619%0.1960%0.604CS.*  trans-69.3123.4173-45.80000109.3L243 C269 F308 L309L243-T304 HydrophobicContact CD2-CG2 4.2Å; C269-T304 HydrophobicContact CB-CG2 4.13Å; C269-T304 PolarHBondContact O-OG1 3.48Å; T304-F308 HydrophobicContact CG2-CB 4.32Å; T304-L309 HydrophobicContact CG2-CD2 4.48Å; T304-L309 HydrophobicContact CG2-CG 4.44Å
305P60Low51.6Low36 Ų36127.7 Ų127.723%0.23463%0.628CS.*  trans-70.2143.7173.4-28.241.8000112.5R303 Y307 F308R303-P305 VanDerWaalsContact O-CD 3.3Å; R303-P305 WeakPolarHBondContact O-CD 3.15Å; P305-Y307 HydrophobicContact CB-CD1 3.74Å; P305-Y307 HydrophobicContact CB-CE1 3.51Å; P305-Y307 HydrophobicContact CB-CG 4.49Å; P305-Y307 HydrophobicContact CG-CE1 4.34Å; P305-Y307 PolarHBondContact O-N 3.07Å; P305-F308 HydrophobicContact CB-CD2 4.5Å; P305-F308 PolarHBondContact O-N 3.29Å
306D55.3Low51.2Low138 Ų138118.4 Ų118.474%0.73860%0.604SS**G310 helixtrans-58.8-24.9-173.3-60.1-20.3000114.2F308 L309D306-F308 PolarHBondContact O-N 2.88Å; D306-L309 PolarHBondContact O-N 3.36Å
307Y58.9Low50.9Low143 Ų143121.7 Ų121.756%0.56159%0.59SS**G310 helixtrans-76-5.5179.464-102.5000114.7R268 P305R268-Y307 PolarHBondContact NH2-OH 3.17Å; P305-Y307 HydrophobicContact CB-CD1 3.74Å; P305-Y307 HydrophobicContact CB-CE1 3.51Å; P305-Y307 HydrophobicContact CB-CG 4.49Å; P305-Y307 HydrophobicContact CG-CE1 4.34Å; P305-Y307 PolarHBondContact O-N 3.07Å
308F52.1Low50.8Low15 Ų15122.8 Ų122.87%0.06660%0.597CS.*G310 helixtrans-95.3-9.7171.8-71.9-48.7000113.3Y265 C266 C269 T304 P305 D306Y265-F308 HydrophobicContact CD1-CD1 4.2Å; Y265-F308 HydrophobicContact CD1-CE1 4.12Å; Y265-F308 HydrophobicContact CD1-CE2 4.38Å; Y265-F308 HydrophobicContact CD1-CG 4.44Å; Y265-F308 HydrophobicContact CD1-CZ 4.22Å; Y265-F308 AromaticContact CE1-CD1 3.65Å; Y265-F308 HydrophobicContact CE1-CD1 3.65Å; Y265-F308 AromaticContact CE1-CE1 3.4Å; Y265-F308 HydrophobicContact CE1-CE1 3.4Å; Y265-F308 VanDerWaalsContact CE1-CE1 3.4Å; Y265-F308 HydrophobicContact CE1-CE2 4.42Å; Y265-F308 HydrophobicContact CE1-CG 4.32Å; Y265-F308 AromaticContact CE1-CZ 3.85Å; Y265-F308 HydrophobicContact CE1-CZ 3.85Å; C266-F308 HydrophobicContact CB-CE2 4.35Å; C266-F308 HydrophobicContact CB-CZ 4.2Å; C266-F308 WeakPolarHBondContact SG-CZ 3.42Å; C269-F308 WeakPolarHBondContact SG-CD2 3.46Å; C269-F308 VanDerWaalsContact SG-CE2 3.53Å; T304-F308 HydrophobicContact CG2-CB 4.32Å; P305-F308 HydrophobicContact CB-CD2 4.5Å; P305-F308 PolarHBondContact O-N 3.29Å; D306-F308 PolarHBondContact O-N 2.88Å
309L50.8Low51.6Low128 Ų128124.5 Ų124.567%0.6759%0.59SS**  trans-95.30174.2-61171.8000108.8L243 T304 D306L243-L309 HydrophobicContact CD2-CD2 4.36Å; T304-L309 HydrophobicContact CG2-CD2 4.48Å; T304-L309 HydrophobicContact CG2-CG 4.44Å; D306-L309 PolarHBondContact O-N 3.36Å

Retrieved 309 of 309 residues in 509.6 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).