A0A087WYZ1_HUMAN Loading...

Carnosine dipeptidase 2

AlphaFold DB , UniProt , Accession A0A087WYZ1, Species HUMAN (Homo sapiens, Human), Gene CNDP2, Length 157 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
1M55.1Low85.7Confident213 Ų21385.6 Ų85.6100%1.04947%0.469SS*.  0-61.70-79.8-71.3-138.100111.9A3 T5M1-A3 PolarHBondContact O-N 3.22Å; M1-T5 PolarHBondContact O-N 2.9Å; M1-T5 PolarHBondContact O-OG1 3.29Å
2A63Low86.8Confident80 Ų8087.3 Ų87.366%0.66148%0.477SS*.Hα-helixtrans-60.5-40.6-17400000115.5L4 T5A2-L4 PolarHBondContact O-N 3.49Å; A2-T5 PolarHBondContact O-N 3.02Å
3A70.1Confident87.7Confident59 Ų5990.5 Ų90.549%0.48849%0.487SS..Hα-helixtrans-60.2-45.2-175.800000113.7M1 Q152M1-A3 PolarHBondContact O-N 3.22Å; A3-Q152 PolarHBondContact O-NE2 3.37Å; A3-Q152 PolarHBondContact O-OE1 3.2Å
4L88.6Confident88.4Confident77 Ų7786.2 Ų86.240%0.40346%0.464SS..Hα-helixtrans-79-20.8-178.3-62.4179.2000113.1A2 T6 L7 F8A2-L4 PolarHBondContact O-N 3.49Å; L4-T6 PolarHBondContact O-N 2.84Å; L4-L7 HydrophobicContact CD2-CD2 3.99Å; L4-L7 WeakPolarHBondContact O-CB 2.86Å; L4-L7 PolarHBondContact O-N 3.46Å; L4-F8 HydrophobicContact CB-CE1 4.3Å; L4-F8 HydrophobicContact CB-CE2 4.29Å; L4-F8 HydrophobicContact CB-CZ 4.13Å; L4-F8 HydrophobicContact CD1-CZ 4.25Å; L4-F8 WeakPolarHBondContact O-CB 3.48Å; L4-F8 VanDerWaalsContact O-CG 3.28Å; L4-F8 WeakPolarHBondContact O-CG 3.41Å; L4-F8 PolarHBondContact O-N 3.21Å
5T92.4Very high89.1Confident87 Ų8787.5 Ų87.553%0.53447%0.466SS..Hα-helixtrans-63.9-46.3-177.5-54.70000110.9M1 A2 L7 K9M1-T5 PolarHBondContact O-N 2.9Å; M1-T5 PolarHBondContact O-OG1 3.29Å; A2-T5 PolarHBondContact O-N 3.02Å; T5-L7 VanDerWaalsContact C-N 3.31Å; T5-L7 PolarHBondContact O-N 3.04Å; T5-K9 WeakPolarHBondContact O-CB 3.36Å; T5-K9 PolarHBondContact O-N 3.06Å
6T92.4Very high89.6Confident79 Ų7988.4 Ų88.449%0.48547%0.471SS..Hα-helixtrans-64.2-38.3175.9-53.10000111.7L4 Y10 T150L4-T6 PolarHBondContact O-N 2.84Å; T6-Y10 PolarHBondContact O-N 3.42Å; T6-Y10 VanDerWaalsContact O-N 3.08Å; T6-T150 HydrophobicContact CG2-CG2 3.98Å
7L93.7Very high90.2Very high7 Ų788.6 Ų88.64%0.03746%0.464CS..Hα-helixtrans-64.4-50178.6-173.477.4000111.4L4 T5 Y10 I11 A146 Y147L4-L7 HydrophobicContact CD2-CD2 3.99Å; L4-L7 WeakPolarHBondContact O-CB 2.86Å; L4-L7 PolarHBondContact O-N 3.46Å; T5-L7 VanDerWaalsContact C-N 3.31Å; T5-L7 PolarHBondContact O-N 3.04Å; L7-Y10 PolarHBondContact O-N 3.03Å; L7-I11 HydrophobicContact CG-CD1 4.18Å; L7-I11 WeakPolarHBondContact O-CG1 3.3Å; L7-I11 PolarHBondContact O-N 3.4Å; L7-A146 VanDerWaalsContact CD1-C 3.48Å; L7-A146 HydrophobicContact CD1-CB 3.55Å; L7-A146 HydrophobicContact CG-CB 4.44Å; L7-Y147 HydrophobicContact CD1-CD1 4.17Å; L7-Y147 HydrophobicContact CD1-CD2 4.01Å; L7-Y147 HydrophobicContact CD1-CE1 4.37Å; L7-Y147 HydrophobicContact CD1-CE2 4.22Å; L7-Y147 HydrophobicContact CD1-CG 3.96Å; L7-Y147 HydrophobicContact CD2-CD2 4.34Å; L7-Y147 HydrophobicContact CD2-CE1 4.14Å; L7-Y147 HydrophobicContact CD2-CE2 3.71Å
8F96.4Very high90.6Very high117 Ų11784.8 Ų84.851%0.51344%0.442SS..Hα-helixtrans-63.5-43.8-179.2-68.4-5.9000111.1L4 Y10 I11 D12L4-F8 HydrophobicContact CB-CE1 4.3Å; L4-F8 HydrophobicContact CB-CE2 4.29Å; L4-F8 HydrophobicContact CB-CZ 4.13Å; L4-F8 HydrophobicContact CD1-CZ 4.25Å; L4-F8 WeakPolarHBondContact O-CB 3.48Å; L4-F8 VanDerWaalsContact O-CG 3.28Å; L4-F8 WeakPolarHBondContact O-CG 3.41Å; L4-F8 PolarHBondContact O-N 3.21Å; F8-Y10 VanDerWaalsContact C-N 3.31Å; F8-Y10 PolarHBondContact O-N 3.47Å; F8-I11 PolarHBondContact O-N 2.91Å; F8-I11 VanDerWaalsContact O-N 3.07Å; F8-D12 PolarHBondContact O-N 3.35Å
9K96.5Very high91Very high128 Ų12882.6 Ų82.656%0.55743%0.43SS*.Hα-helixtrans-56.8-44.8174.2-177.3177.3172.3179.60112.2T5 I11 D12 E13T5-K9 WeakPolarHBondContact O-CB 3.36Å; T5-K9 PolarHBondContact O-N 3.06Å; K9-I11 VanDerWaalsContact C-N 3.31Å; K9-I11 PolarHBondContact O-N 3.45Å; K9-D12 PolarHBondContact O-N 3.24Å; K9-E13 WeakPolarHBondContact CE-OE1 3.44Å; K9-E13 IonicContact NZ-OE1 3.31Å; K9-E13 WeakPolarHBondContact O-CB 3.41Å; K9-E13 VanDerWaalsContact O-CG 3.3Å; K9-E13 WeakPolarHBondContact O-CG 3.43Å; K9-E13 PolarHBondContact O-N 3.06Å
10Y96.7Very high91.4Very high42 Ų4285.5 Ų85.517%0.16544%0.439CS..Hα-helixtrans-62.6-39.7176.9-179.1-90000112T6 L7 F8 E13 N14 R17 Y18 A146 K149 T150T6-Y10 PolarHBondContact O-N 3.42Å; T6-Y10 VanDerWaalsContact O-N 3.08Å; L7-Y10 PolarHBondContact O-N 3.03Å; F8-Y10 VanDerWaalsContact C-N 3.31Å; F8-Y10 PolarHBondContact O-N 3.47Å; Y10-E13 PolarHBondContact O-N 2.85Å; Y10-N14 HydrophobicContact CE1-CB 4.49Å; Y10-N14 WeakPolarHBondContact CE2-ND2 3.29Å; Y10-N14 WeakPolarHBondContact O-CB 3.4Å; Y10-N14 PolarHBondContact O-N 3.47Å; Y10-N14 VanDerWaalsContact O-N 3.16Å; Y10-N14 PolarHBondContact O-ND2 3.49Å; Y10-R17 PolarHBondContact OH-NH2 3.14Å; Y10-Y18 WeakPolarHBondContact CE1-OH 3.45Å; Y10-A146 HydrophobicContact CD1-CB 3.63Å; Y10-A146 HydrophobicContact CE1-CB 4.03Å; Y10-K149 HydrophobicContact CE1-CB 4Å; Y10-K149 HydrophobicContact CE1-CG 4.46Å; Y10-K149 HydrophobicContact CE2-CB 3.76Å; Y10-K149 VanDerWaalsContact CZ-CB 3.46Å; Y10-K149 WeakPolarHBondContact OH-CB 3.43Å; Y10-K149 WeakPolarHBondContact OH-CG 3.4Å; Y10-T150 HydrophobicContact CD2-CG2 4.07Å; Y10-T150 HydrophobicContact CG-CG2 3.8Å
11I98Very high91.7Very high53 Ų5382.9 Ų82.927%0.27243%0.425SS..Hα-helixtrans-64.1-47.3177.8-69.6168000110.7L7 F8 K9 E13 N14 Q15 Y18 A146L7-I11 HydrophobicContact CG-CD1 4.18Å; L7-I11 WeakPolarHBondContact O-CG1 3.3Å; L7-I11 PolarHBondContact O-N 3.4Å; F8-I11 PolarHBondContact O-N 2.91Å; F8-I11 VanDerWaalsContact O-N 3.07Å; K9-I11 VanDerWaalsContact C-N 3.31Å; K9-I11 PolarHBondContact O-N 3.45Å; I11-E13 VanDerWaalsContact C-N 3.33Å; I11-E13 PolarHBondContact O-N 3.07Å; I11-N14 CarbonylContact O-C 3.52Å; I11-N14 PolarHBondContact O-N 3.01Å; I11-Q15 PolarHBondContact O-N 2.93Å; I11-Y18 HydrophobicContact CG2-CE2 4.36Å; I11-A146 HydrophobicContact CD1-CB 4.33Å; I11-A146 HydrophobicContact CG1-CB 3.92Å
12D98.3Very high93.8Very high105 Ų10573.6 Ų73.656%0.56138%0.379SS*.Hα-helixtrans-57.7-45.7177.4-66-21.4000111F8 K9 N14 Q15F8-D12 PolarHBondContact O-N 3.35Å; K9-D12 PolarHBondContact O-N 3.24Å; D12-N14 PolarHBondContact O-N 3.08Å; D12-Q15 WeakPolarHBondContact O-CG 3.46Å; D12-Q15 PolarHBondContact O-N 3Å
13E98.4Very high95.5Very high129 Ų12971.2 Ų71.260%0.60336%0.359SS*.Hα-helixtrans-66.1-19.3178.4-71.8172.6172.300113.6K9 Y10 I11K9-E13 WeakPolarHBondContact CE-OE1 3.44Å; K9-E13 IonicContact NZ-OE1 3.31Å; K9-E13 WeakPolarHBondContact O-CB 3.41Å; K9-E13 VanDerWaalsContact O-CG 3.3Å; K9-E13 WeakPolarHBondContact O-CG 3.43Å; K9-E13 PolarHBondContact O-N 3.06Å; Y10-E13 PolarHBondContact O-N 2.85Å; I11-E13 VanDerWaalsContact C-N 3.33Å; I11-E13 PolarHBondContact O-N 3.07Å
14N98.4Very high96.9Very high31 Ų3175.8 Ų75.817%0.16637%0.368CS..Hα-helixtrans-111.93.8-175.5-78.2-97.1000114Y10 I11 D12 D16 R17 Y18Y10-N14 HydrophobicContact CE1-CB 4.49Å; Y10-N14 WeakPolarHBondContact CE2-ND2 3.29Å; Y10-N14 WeakPolarHBondContact O-CB 3.4Å; Y10-N14 PolarHBondContact O-N 3.47Å; Y10-N14 VanDerWaalsContact O-N 3.16Å; Y10-N14 PolarHBondContact O-ND2 3.49Å; I11-N14 CarbonylContact O-C 3.52Å; I11-N14 PolarHBondContact O-N 3.01Å; D12-N14 PolarHBondContact O-N 3.08Å; N14-D16 VanDerWaalsContact C-N 3.29Å; N14-D16 PolarHBondContact O-N 3.08Å; N14-R17 WeakPolarHBondContact O-CB 3.41Å; N14-R17 PolarHBondContact O-N 3.46Å; N14-R17 PolarHBondContact OD1-NE 3.29Å; N14-R17 VanDerWaalsContact OD1-NE 3.08Å; N14-R17 PolarHBondContact OD1-NH2 3.16Å; N14-R17 VanDerWaalsContact OD1-NH2 3.08Å; N14-Y18 HydrophobicContact CB-CD2 4.22Å; N14-Y18 HydrophobicContact CB-CE2 3.63Å; N14-Y18 WeakPolarHBondContact O-CD2 3.47Å; N14-Y18 PolarHBondContact O-N 3.23Å; N14-Y18 VanDerWaalsContact O-N 3.14Å
15Q98.1Very high97.4Very high106 Ų10672.4 Ų72.450%0.49535%0.35SS..Hα-helixtrans-54.3-42-173.569.3-179.718.800113I11 D12 R17 Y18 I19I11-Q15 PolarHBondContact O-N 2.93Å; D12-Q15 WeakPolarHBondContact O-CG 3.46Å; D12-Q15 PolarHBondContact O-N 3Å; Q15-R17 VanDerWaalsContact C-N 3.27Å; Q15-R17 PolarHBondContact O-N 3.42Å; Q15-Y18 CarbonylContact O-C 3.57Å; Q15-Y18 WeakPolarHBondContact O-CA 3.36Å; Q15-Y18 WeakPolarHBondContact O-CB 3.42Å; Q15-Y18 PolarHBondContact O-N 3Å; Q15-I19 WeakPolarHBondContact O-CG1 3.35Å; Q15-I19 PolarHBondContact O-N 3.04Å
16D98.3Very high97.7Very high102 Ų10268.2 Ų68.255%0.54533%0.325SS..Hα-helixtrans-64.3-33.8-179.5-66.7-3.8000112.2N14 K20N14-D16 VanDerWaalsContact C-N 3.29Å; N14-D16 PolarHBondContact O-N 3.08Å; D16-K20 VanDerWaalsContact O-CG 3.29Å; D16-K20 WeakPolarHBondContact O-CG 3.42Å; D16-K20 PolarHBondContact O-N 2.69Å
17R98.3Very high98Very high92 Ų9267 Ų6735%0.34732%0.322SS..Hα-helixtrans-68.8-39.1174.7-177175.66287.6-0.2110.4Y10 N14 Q15 K20 K21 E145Y10-R17 PolarHBondContact OH-NH2 3.14Å; N14-R17 WeakPolarHBondContact O-CB 3.41Å; N14-R17 PolarHBondContact O-N 3.46Å; N14-R17 PolarHBondContact OD1-NE 3.29Å; N14-R17 VanDerWaalsContact OD1-NE 3.08Å; N14-R17 PolarHBondContact OD1-NH2 3.16Å; N14-R17 VanDerWaalsContact OD1-NH2 3.08Å; Q15-R17 VanDerWaalsContact C-N 3.27Å; Q15-R17 PolarHBondContact O-N 3.42Å; R17-K20 PolarHBondContact O-N 3.18Å; R17-K21 PolarHBondContact O-N 3.34Å; R17-E145 IonicContact CZ-OE1 2.69Å; R17-E145 IonicContact CZ-OE2 3.63Å; R17-E145 IonicContact NH1-OE1 3.28Å; R17-E145 PolarHBondContact NH1-OE1 3.19Å; R17-E145 IonicContact NH1-OE2 3.37Å; R17-E145 PolarHBondContact NH1-OE2 3.08Å; R17-E145 VanDerWaalsContact NH1-OE2 3.17Å; R17-E145 IonicContact NH2-OE1 3.84Å; R17-E145 IonicContact NH2-OE2 3.63Å; R17-E145 PolarHBondContact NH2-OE2 2.8Å
18Y98.5Very high98.2Very high20 Ų2067.1 Ų67.18%0.07832%0.323CS..Hα-helixtrans-68-39.5176.4-60.9-37.1000112.4Y10 I11 N14 Q15 K21 L22 N142 E145Y10-Y18 WeakPolarHBondContact CE1-OH 3.45Å; I11-Y18 HydrophobicContact CG2-CE2 4.36Å; N14-Y18 HydrophobicContact CB-CD2 4.22Å; N14-Y18 HydrophobicContact CB-CE2 3.63Å; N14-Y18 WeakPolarHBondContact O-CD2 3.47Å; N14-Y18 PolarHBondContact O-N 3.23Å; N14-Y18 VanDerWaalsContact O-N 3.14Å; Q15-Y18 CarbonylContact O-C 3.57Å; Q15-Y18 WeakPolarHBondContact O-CA 3.36Å; Q15-Y18 WeakPolarHBondContact O-CB 3.42Å; Q15-Y18 PolarHBondContact O-N 3Å; Y18-K21 WeakPolarHBondContact O-CB 3.5Å; Y18-K21 PolarHBondContact O-N 2.94Å; Y18-L22 PolarHBondContact O-N 2.8Å; Y18-N142 HydrophobicContact CD1-CB 3.85Å; Y18-N142 WeakPolarHBondContact CD1-ND2 3.32Å; Y18-N142 WeakPolarHBondContact CD1-OD1 3.44Å; Y18-N142 HydrophobicContact CD2-CB 4.45Å; Y18-N142 HydrophobicContact CE1-CB 3.68Å; Y18-N142 HydrophobicContact CE2-CB 4.32Å; Y18-N142 HydrophobicContact CG-CB 4.24Å; Y18-E145 VanDerWaalsContact CE1-OE2 3.32Å; Y18-E145 WeakPolarHBondContact CE1-OE2 3.35Å; Y18-E145 PolarHBondContact OH-OE2 3.19Å
19I98.6Very high98.3Very high42 Ų4264.2 Ų64.222%0.21531%0.311CS..Hα-helixtrans-62-45.7173.4-66.2168.4000110.3Q15 K21 L22 A23 L118 L125Q15-I19 WeakPolarHBondContact O-CG1 3.35Å; Q15-I19 PolarHBondContact O-N 3.04Å; I19-K21 VanDerWaalsContact C-N 3.3Å; I19-K21 PolarHBondContact O-N 3.23Å; I19-L22 PolarHBondContact O-N 3.47Å; I19-A23 WeakPolarHBondContact O-CB 3.32Å; I19-A23 PolarHBondContact O-N 3.38Å; I19-L118 HydrophobicContact CG2-CD2 4.39Å; I19-L125 HydrophobicContact CD1-CD2 4.45Å; I19-L125 HydrophobicContact CG1-CD1 3.98Å; I19-L125 HydrophobicContact CG1-CD2 4.48Å; I19-L125 HydrophobicContact CG2-CD1 4.33Å; I19-L125 HydrophobicContact CG2-CD2 3.87Å
20K98.6Very high98.4Very high141 Ų14158.1 Ų58.161%0.61329%0.285SS*.Hα-helixtrans-61.8-36.2175.2-73.5170.1-175.2171.60112.8D16 R17 A23 K24D16-K20 VanDerWaalsContact O-CG 3.29Å; D16-K20 WeakPolarHBondContact O-CG 3.42Å; D16-K20 PolarHBondContact O-N 2.69Å; R17-K20 PolarHBondContact O-N 3.18Å; K20-A23 PolarHBondContact O-N 3.41Å; K20-K24 WeakPolarHBondContact O-CG 3.33Å; K20-K24 PolarHBondContact O-N 3.26Å; K20-K24 VanDerWaalsContact O-N 3.13Å
21K98.4Very high98.5Very high31 Ų3156.1 Ų56.114%0.13528%0.277CS..Hα-helixtrans-64.2-48.4173.5173.7173.7175.3154.50111R17 Y18 I19 A23 K24 W25 D51 I141R17-K21 PolarHBondContact O-N 3.34Å; Y18-K21 WeakPolarHBondContact O-CB 3.5Å; Y18-K21 PolarHBondContact O-N 2.94Å; I19-K21 VanDerWaalsContact C-N 3.3Å; I19-K21 PolarHBondContact O-N 3.23Å; K21-A23 VanDerWaalsContact C-N 3.29Å; K21-A23 PolarHBondContact O-N 2.95Å; K21-K24 WeakPolarHBondContact O-CB 3.22Å; K21-K24 PolarHBondContact O-N 2.95Å; K21-W25 VanDerWaalsContact O-CD1 3.26Å; K21-W25 PolarHBondContact O-N 2.99Å; K21-D51 WeakPolarHBondContact CE-OD2 3.38Å; K21-D51 IonicContact NZ-OD1 3.09Å; K21-D51 PolarHBondContact NZ-OD1 3.07Å; K21-D51 IonicContact NZ-OD2 3.09Å; K21-D51 PolarHBondContact NZ-OD2 2.65Å; K21-I141 VanDerWaalsContact NZ-CG2 3.34Å
22L98.8Very high98.5Very high18 Ų1855.4 Ų55.49%0.09428%0.276CS..Hα-helixtrans-60-40.2176.2-179.258.3000111.5Y18 I19 K24 W25 V26 L118 L125 K134Y18-L22 PolarHBondContact O-N 2.8Å; I19-L22 PolarHBondContact O-N 3.47Å; L22-K24 VanDerWaalsContact C-N 3.34Å; L22-K24 PolarHBondContact O-N 2.8Å; L22-W25 WeakPolarHBondContact O-CB 3.37Å; L22-W25 PolarHBondContact O-N 3.24Å; L22-W25 VanDerWaalsContact O-N 3.12Å; L22-V26 HydrophobicContact CD1-CG2 4.14Å; L22-V26 HydrophobicContact CG-CG2 4.34Å; L22-V26 WeakPolarHBondContact O-CB 3.35Å; L22-V26 WeakPolarHBondContact O-CG2 3.28Å; L22-V26 PolarHBondContact O-N 3.5Å; L22-L118 HydrophobicContact CB-CD2 4.42Å; L22-L118 HydrophobicContact CD2-CD2 4.38Å; L22-L118 HydrophobicContact CG-CD2 4.18Å; L22-L125 HydrophobicContact CD2-CD1 4.18Å; L22-K134 HydrophobicContact CD1-CB 3.98Å
23A98.8Very high98.5Very high29 Ų2953.2 Ų53.224%0.2427%0.273CS..Hα-helixtrans-59.2-43.9175.900000112.1I19 K20 K21 W25 V26 A27 L118I19-A23 WeakPolarHBondContact O-CB 3.32Å; I19-A23 PolarHBondContact O-N 3.38Å; K20-A23 PolarHBondContact O-N 3.41Å; K21-A23 VanDerWaalsContact C-N 3.29Å; K21-A23 PolarHBondContact O-N 2.95Å; A23-W25 VanDerWaalsContact C-N 3.31Å; A23-W25 PolarHBondContact O-N 3.13Å; A23-V26 PolarHBondContact O-N 2.84Å; A23-A27 WeakPolarHBondContact O-CB 3.48Å; A23-A27 PolarHBondContact O-N 3.21Å; A23-L118 HydrophobicContact CB-CB 3.8Å; A23-L118 HydrophobicContact CB-CD2 3.83Å; A23-L118 HydrophobicContact CB-CG 4.46Å
24K98.7Very high98.5Very high155 Ų15550.4 Ų50.467%0.67426%0.257SS*.Hα-helixtrans-62.3-38.1174.5-70.3173.8-178.4-177.40112.4K20 K21 L22K20-K24 WeakPolarHBondContact O-CG 3.33Å; K20-K24 PolarHBondContact O-N 3.26Å; K20-K24 VanDerWaalsContact O-N 3.13Å; K21-K24 WeakPolarHBondContact O-CB 3.22Å; K21-K24 PolarHBondContact O-N 2.95Å; L22-K24 VanDerWaalsContact C-N 3.34Å; L22-K24 PolarHBondContact O-N 2.8Å
25W98.8Very high98.5Very high6 Ų651.6 Ų51.62%0.02327%0.266CS..Hα-helixtrans-68.4-45.9177-78.233.6000111.4K21 L22 A23 A27 I28 M44 V47 A48 D51 L100 K134 V137 A138 I141K21-W25 VanDerWaalsContact O-CD1 3.26Å; K21-W25 PolarHBondContact O-N 2.99Å; L22-W25 WeakPolarHBondContact O-CB 3.37Å; L22-W25 PolarHBondContact O-N 3.24Å; L22-W25 VanDerWaalsContact O-N 3.12Å; A23-W25 VanDerWaalsContact C-N 3.31Å; A23-W25 PolarHBondContact O-N 3.13Å; W25-A27 VanDerWaalsContact C-N 3.28Å; W25-A27 PolarHBondContact O-N 3.37Å; W25-I28 PolarHBondContact O-N 3.21Å; W25-M44 HydrophobicContact CB-CE 4.13Å; W25-M44 HydrophobicContact CB-SD 4.32Å; W25-M44 HydrophobicContact CD2-CE 3.3Å; W25-M44 HydrophobicContact CE3-CE 3.6Å; W25-M44 HydrophobicContact CG-CE 3.59Å; W25-M44 HydrophobicContact CG-SD 4.39Å; W25-M44 HydrophobicContact CH2-CE 4.16Å; W25-M44 HydrophobicContact CZ2-CE 3.91Å; W25-M44 HydrophobicContact CZ3-CE 4.04Å; W25-V47 HydrophobicContact CZ2-CG1 4.31Å; W25-A48 HydrophobicContact CH2-CB 3.96Å; W25-A48 HydrophobicContact CZ2-CB 4.23Å; W25-D51 WeakPolarHBondContact CZ2-OD2 3.41Å; W25-L100 HydrophobicContact CE3-CD2 4.11Å; W25-L100 HydrophobicContact CH2-CD2 4.26Å; W25-L100 HydrophobicContact CZ3-CD2 3.55Å; W25-K134 HydrophobicContact CB-CB 4.5Å; W25-K134 HydrophobicContact CB-CD 4.25Å; W25-K134 HydrophobicContact CE3-CB 4.12Å; W25-K134 HydrophobicContact CE3-CG 4.47Å; W25-K134 WeakPolarHBondContact O-CD 3.39Å; W25-K134 WeakPolarHBondContact O-CE 3.35Å; W25-K134 PolarHBondContact O-NZ 3.08Å; W25-V137 HydrophobicContact CH2-CG1 4.04Å; W25-V137 HydrophobicContact CZ3-CB 4.15Å; W25-V137 HydrophobicContact CZ3-CG1 3.81Å; W25-A138 HydrophobicContact CE3-CB 4.12Å; W25-A138 HydrophobicContact CZ3-CB 4.2Å; W25-I141 HydrophobicContact CH2-CD1 3.55Å; W25-I141 HydrophobicContact CZ2-CD1 3.93Å
26V98.8Very high98.4Very high0 Ų053 Ų530%027%0.273CS..Hα-helixtrans-60.8-37.7177.4163.80000111.6L22 A23 I28 L118 K134L22-V26 HydrophobicContact CD1-CG2 4.14Å; L22-V26 HydrophobicContact CG-CG2 4.34Å; L22-V26 WeakPolarHBondContact O-CB 3.35Å; L22-V26 WeakPolarHBondContact O-CG2 3.28Å; L22-V26 PolarHBondContact O-N 3.5Å; A23-V26 PolarHBondContact O-N 2.84Å; V26-I28 PolarHBondContact O-N 2.96Å; V26-L118 HydrophobicContact CB-CB 4.31Å; V26-L118 HydrophobicContact CB-CD1 4.5Å; V26-L118 HydrophobicContact CG1-CB 4.17Å; V26-L118 HydrophobicContact CG1-CD1 4.41Å; V26-L118 HydrophobicContact CG2-CD1 4.07Å; V26-K134 HydrophobicContact CG2-CD 4.37Å
27A98.8Very high98.4Very high53 Ų5350.7 Ų50.744%0.43826%0.258SS..Hα-helixtrans-62.1-24177.800000114.8A23 W25 Q29 F116A23-A27 WeakPolarHBondContact O-CB 3.48Å; A23-A27 PolarHBondContact O-N 3.21Å; W25-A27 VanDerWaalsContact C-N 3.28Å; W25-A27 PolarHBondContact O-N 3.37Å; A27-Q29 PolarHBondContact O-N 3.28Å; A27-F116 VanDerWaalsContact CA-O 3.26Å; A27-F116 WeakPolarHBondContact CA-O 3.5Å
28I98.8Very high98.4Very high9 Ų947.5 Ų47.55%0.04625%0.246CC..SBendtrans-76.8111.1173.6-62.2163.7000108W25 V26 S30 E40 M44 V47 K134W25-I28 PolarHBondContact O-N 3.21Å; V26-I28 PolarHBondContact O-N 2.96Å; I28-S30 PolarHBondContact O-N 3.43Å; I28-S30 PolarHBondContact O-OG 2.9Å; I28-E40 HydrophobicContact CG2-CB 4.05Å; I28-E40 WeakPolarHBondContact CG2-O 3.39Å; I28-M44 HydrophobicContact CB-SD 4.04Å; I28-M44 HydrophobicContact CD1-CE 4.46Å; I28-M44 HydrophobicContact CD1-SD 3.68Å; I28-M44 HydrophobicContact CG1-SD 4.44Å; I28-M44 HydrophobicContact CG2-CB 3.95Å; I28-M44 HydrophobicContact CG2-SD 4.28Å; I28-V47 HydrophobicContact CD1-CG2 3.96Å; I28-K134 PolarHBondContact O-NZ 2.91Å
29Q98.6Very high98.4Very high57 Ų5749 Ų4927%0.26627%0.267SS..  trans-78.165-175.2-58.3-171.5-1.500111.3A27 V31 K37 F116A27-Q29 PolarHBondContact O-N 3.28Å; Q29-V31 PolarHBondContact O-N 2.96Å; Q29-K37 HydrophobicContact CB-CD 4.19Å; Q29-K37 WeakPolarHBondContact O-CB 3.43Å; Q29-K37 VanDerWaalsContact OE1-CE 3.29Å; Q29-F116 HydrophobicContact CB-CD1 4.26Å; Q29-F116 HydrophobicContact CB-CE1 4.23Å; Q29-F116 HydrophobicContact CB-CG 4.48Å; Q29-F116 HydrophobicContact CB-CZ 4.44Å; Q29-F116 HydrophobicContact CG-CB 3.95Å; Q29-F116 HydrophobicContact CG-CD1 3.77Å; Q29-F116 HydrophobicContact CG-CD2 3.83Å; Q29-F116 HydrophobicContact CG-CE1 4.19Å; Q29-F116 HydrophobicContact CG-CE2 4.25Å; Q29-F116 HydrophobicContact CG-CG 3.58Å; Q29-F116 HydrophobicContact CG-CZ 4.42Å
30S98.6Very high98.4Very high0 Ų049.5 Ų49.50%027%0.269CS..  trans-74.252.3-178.350.30000112.7I28 S32 L100 D101 V102 K134I28-S30 PolarHBondContact O-N 3.43Å; I28-S30 PolarHBondContact O-OG 2.9Å; S30-S32 PolarHBondContact O-N 3.39Å; S30-L100 WeakPolarHBondContact CB-O 3.31Å; S30-L100 PolarHBondContact OG-O 2.81Å; S30-D101 CarbonylContact O-C 3.56Å; S30-D101 WeakPolarHBondContact O-CA 3.4Å; S30-D101 WeakPolarHBondContact O-CB 3.32Å; S30-V102 PolarHBondContact O-N 2.7Å; S30-K134 VanDerWaalsContact OG-CE 3.25Å; S30-K134 WeakPolarHBondContact OG-CE 3.49Å; S30-K134 PolarHBondContact OG-NZ 3.09Å; S30-K134 VanDerWaalsContact OG-NZ 3.1Å
31V98.8Very high98.4Very high0 Ų042.9 Ų42.90%024%0.24CC..BIsolated β-bridgetrans-81.5111.3-177.4-176.90000110.6Q29 A33 W34 K37 V102 P104 F116Q29-V31 PolarHBondContact O-N 2.96Å; V31-A33 VanDerWaalsContact C-N 3.33Å; V31-A33 HydrophobicContact CG1-CB 4.32Å; V31-A33 PolarHBondContact O-N 3.42Å; V31-W34 HydrophobicContact CB-CB 4.16Å; V31-W34 HydrophobicContact CB-CD2 3.91Å; V31-W34 HydrophobicContact CB-CE3 3.67Å; V31-W34 HydrophobicContact CB-CG 4.13Å; V31-W34 HydrophobicContact CB-CZ3 4.36Å; V31-W34 HydrophobicContact CG1-CB 3.97Å; V31-W34 HydrophobicContact CG1-CD2 3.53Å; V31-W34 HydrophobicContact CG1-CE3 3.81Å; V31-W34 HydrophobicContact CG1-CG 3.59Å; V31-W34 HydrophobicContact CG2-CD2 4.27Å; V31-W34 HydrophobicContact CG2-CE3 3.67Å; V31-W34 HydrophobicContact CG2-CZ3 3.85Å; V31-W34 PolarHBondContact O-N 3.36Å; V31-K37 HydrophobicContact CB-CB 4.45Å; V31-K37 HydrophobicContact CB-CG 4.45Å; V31-V102 WeakPolarHBondContact CA-O 3.33Å; V31-V102 HydrophobicContact CG2-CG2 4.03Å; V31-P104 HydrophobicContact CG1-CB 4.28Å; V31-P104 HydrophobicContact CG1-CG 3.73Å; V31-F116 HydrophobicContact CG2-CE1 4.07Å; V31-F116 HydrophobicContact CG2-CZ 3.59Å
32S97.9Very high98.4Very high37 Ų3746.3 Ų46.326%0.25925%0.252SS..THydrogen-bonded Turntrans-72.2-24.9-176.753.50000114.3S30 W34 R38 D101S30-S32 PolarHBondContact O-N 3.39Å; S32-W34 VanDerWaalsContact C-N 3.29Å; S32-R38 PolarHBondContact O-NH2 3.17Å; S32-D101 WeakPolarHBondContact CB-OD2 3.08Å; S32-D101 PolarHBondContact OG-OD2 3.5Å
33A97.9Very high98.4Very high60 Ų6051.6 Ų51.650%0.49627%0.271SS..THydrogen-bonded Turntrans-75.6-15176.600000113.7V31 P35 P104V31-A33 VanDerWaalsContact C-N 3.33Å; V31-A33 HydrophobicContact CG1-CB 4.32Å; V31-A33 PolarHBondContact O-N 3.42Å; A33-P35 WeakPolarHBondContact O-CD 3.39Å; A33-P104 HydrophobicContact CB-CG 3.83Å
34W98Very high98.4Very high70 Ų7050.2 Ų50.227%0.26526%0.26SS..  trans-105.2104.5-177.9-68.7-12.5000110.3V31 S32 E36 K37 P104 F116V31-W34 HydrophobicContact CB-CB 4.16Å; V31-W34 HydrophobicContact CB-CD2 3.91Å; V31-W34 HydrophobicContact CB-CE3 3.67Å; V31-W34 HydrophobicContact CB-CG 4.13Å; V31-W34 HydrophobicContact CB-CZ3 4.36Å; V31-W34 HydrophobicContact CG1-CB 3.97Å; V31-W34 HydrophobicContact CG1-CD2 3.53Å; V31-W34 HydrophobicContact CG1-CE3 3.81Å; V31-W34 HydrophobicContact CG1-CG 3.59Å; V31-W34 HydrophobicContact CG2-CD2 4.27Å; V31-W34 HydrophobicContact CG2-CE3 3.67Å; V31-W34 HydrophobicContact CG2-CZ3 3.85Å; V31-W34 PolarHBondContact O-N 3.36Å; S32-W34 VanDerWaalsContact C-N 3.29Å; W34-E36 PolarHBondContact O-N 3.05Å; W34-K37 HydrophobicContact CB-CB 4.16Å; W34-K37 HydrophobicContact CB-CG 3.9Å; W34-K37 HydrophobicContact CE3-CG 3.8Å; W34-K37 PolarHBondContact O-N 2.79Å; W34-P104 HydrophobicContact CH2-CB 4.4Å; W34-P104 HydrophobicContact CZ2-CB 3.57Å; W34-P104 HydrophobicContact CZ2-CG 4.39Å; W34-F116 HydrophobicContact CH2-CE2 4.49Å; W34-F116 HydrophobicContact CZ3-CE2 4.27Å; W34-F116 HydrophobicContact CZ3-CZ 4.45Å
35P97.7Very high98.4Very high55 Ų5543.9 Ų43.936%0.35723%0.233SC..G310 helixtrans-52.3-38.7-178.1-29.537.5000114A33 K37 R38 L69 I75A33-P35 WeakPolarHBondContact O-CD 3.39Å; P35-K37 PolarHBondContact O-N 3.17Å; P35-R38 VanDerWaalsContact O-CB 3.27Å; P35-R38 WeakPolarHBondContact O-CB 3.36Å; P35-R38 PolarHBondContact O-N 3.49Å; P35-R38 VanDerWaalsContact O-N 3.16Å; P35-L69 HydrophobicContact CB-CD1 4.11Å; P35-L69 HydrophobicContact CG-CD1 3.96Å; P35-L69 HydrophobicContact CG-CD2 4.39Å; P35-I75 HydrophobicContact CB-CD1 4.09Å
36E97.6Very high98.4Very high135 Ų13548.2 Ų48.263%0.63125%0.253SS*.G310 helixtrans-66.2-18.8179.171.1-79.2-173.100113.7W34W34-E36 PolarHBondContact O-N 3.05Å
37K98.1Very high98.4Very high54 Ų5450.4 Ų50.424%0.23527%0.267CS..G310 helixtrans-93.13.4175.9-62.9-55.9175.1168.40114.1Q29 V31 W34 P35 G39 E40 I41Q29-K37 HydrophobicContact CB-CD 4.19Å; Q29-K37 WeakPolarHBondContact O-CB 3.43Å; Q29-K37 VanDerWaalsContact OE1-CE 3.29Å; V31-K37 HydrophobicContact CB-CB 4.45Å; V31-K37 HydrophobicContact CB-CG 4.45Å; W34-K37 HydrophobicContact CB-CB 4.16Å; W34-K37 HydrophobicContact CB-CG 3.9Å; W34-K37 HydrophobicContact CE3-CG 3.8Å; W34-K37 PolarHBondContact O-N 2.79Å; P35-K37 PolarHBondContact O-N 3.17Å; K37-G39 PolarHBondContact O-N 2.88Å; K37-G39 VanDerWaalsContact O-N 3.1Å; K37-E40 WeakPolarHBondContact O-CB 3.29Å; K37-E40 PolarHBondContact O-N 3.42Å; K37-I41 PolarHBondContact O-N 2.93Å
38R97.9Very high98.4Very high25 Ų2548.1 Ų48.19%0.09425%0.248CC..Hα-helixtrans-55.2-34.9-178.1-167.662.762.3-160.7-4.5113.2S32 P35 I41 R42 P76S32-R38 PolarHBondContact O-NH2 3.17Å; P35-R38 VanDerWaalsContact O-CB 3.27Å; P35-R38 WeakPolarHBondContact O-CB 3.36Å; P35-R38 PolarHBondContact O-N 3.49Å; P35-R38 VanDerWaalsContact O-N 3.16Å; R38-I41 PolarHBondContact O-N 3.49Å; R38-R42 PolarHBondContact O-N 3.18Å; R38-P76 WeakPolarHBondContact CD-O 3.31Å; R38-P76 VanDerWaalsContact CG-O 3.27Å; R38-P76 WeakPolarHBondContact CG-O 3.38Å
39G98.1Very high98.3Very high52 Ų5247.9 Ų47.954%0.53625%0.247SC..Hα-helixtrans-64.7-3817500000113.8K37 I41 R42 R43K37-G39 PolarHBondContact O-N 2.88Å; K37-G39 VanDerWaalsContact O-N 3.1Å; G39-I41 VanDerWaalsContact C-N 3.31Å; G39-I41 PolarHBondContact O-N 3.33Å; G39-R42 WeakPolarHBondContact O-CB 3.43Å; G39-R42 PolarHBondContact O-N 3.47Å; G39-R43 PolarHBondContact O-N 3.09Å
40E98.7Very high98.3Very high52 Ų5247.1 Ų47.124%0.24325%0.25CS..Hα-helixtrans-68.6-31.3178.2-73-69.696.200111.8I28 K37 R43 M44I28-E40 HydrophobicContact CG2-CB 4.05Å; I28-E40 WeakPolarHBondContact CG2-O 3.39Å; K37-E40 WeakPolarHBondContact O-CB 3.29Å; K37-E40 PolarHBondContact O-N 3.42Å; E40-R43 WeakPolarHBondContact O-CB 3.3Å; E40-R43 PolarHBondContact O-N 3.33Å; E40-R43 WeakPolarHBondContact OE1-CD 3.46Å; E40-R43 IonicContact OE1-NH1 3.17Å; E40-R43 PolarHBondContact OE1-NH1 3Å; E40-R43 IonicContact OE2-NH1 2.79Å; E40-R43 PolarHBondContact OE2-NH1 3.38Å; E40-M44 PolarHBondContact O-N 2.82Å
41I98.6Very high98.2Very high3 Ų348.1 Ų48.12%0.01526%0.255CS..Hα-helixtrans-65-46.3173.4-50.1170.2000110K37 R38 G39 R43 M44 M45 P78 D101K37-I41 PolarHBondContact O-N 2.93Å; R38-I41 PolarHBondContact O-N 3.49Å; G39-I41 VanDerWaalsContact C-N 3.31Å; G39-I41 PolarHBondContact O-N 3.33Å; I41-R43 VanDerWaalsContact C-N 3.31Å; I41-R43 PolarHBondContact O-N 3.48Å; I41-M44 WeakPolarHBondContact O-CB 3.44Å; I41-M44 PolarHBondContact O-N 3.44Å; I41-M44 VanDerWaalsContact O-N 3.07Å; I41-M45 WeakPolarHBondContact O-CG 3.17Å; I41-M45 PolarHBondContact O-N 3.01Å; I41-P78 HydrophobicContact CB-CB 4.31Å; I41-P78 HydrophobicContact CB-CG 4.15Å; I41-P78 HydrophobicContact CD1-CG 4.03Å; I41-P78 HydrophobicContact CG2-CB 3.62Å; I41-P78 HydrophobicContact CG2-CG 3.67Å; I41-D101 HydrophobicContact CG2-CB 4.42Å
42R98.4Very high98.1Very high103 Ų10349.3 Ų49.339%0.38926%0.263SS..Hα-helixtrans-57.7-44.9175.4-179.5179.2-66.4-95-3.4111.3R38 G39 M44 M45 E46R38-R42 PolarHBondContact O-N 3.18Å; G39-R42 WeakPolarHBondContact O-CB 3.43Å; G39-R42 PolarHBondContact O-N 3.47Å; R42-M44 VanDerWaalsContact C-N 3.31Å; R42-M44 PolarHBondContact O-N 3.12Å; R42-M45 WeakPolarHBondContact O-CB 3.26Å; R42-M45 PolarHBondContact O-N 3.18Å; R42-M45 VanDerWaalsContact O-N 3.15Å; R42-E46 WeakPolarHBondContact O-CG 3.45Å; R42-E46 PolarHBondContact O-N 3.35Å
43R98.7Very high98.1Very high128 Ų12853.7 Ų53.748%0.48328%0.277SS..Hα-helixtrans-58.6-41.4174.2-177.3-175.7176.4-161.1-0.7112.2G39 E40 I41 E46 V47G39-R43 PolarHBondContact O-N 3.09Å; E40-R43 WeakPolarHBondContact O-CB 3.3Å; E40-R43 PolarHBondContact O-N 3.33Å; E40-R43 WeakPolarHBondContact OE1-CD 3.46Å; E40-R43 IonicContact OE1-NH1 3.17Å; E40-R43 PolarHBondContact OE1-NH1 3Å; E40-R43 IonicContact OE2-NH1 2.79Å; E40-R43 PolarHBondContact OE2-NH1 3.38Å; I41-R43 VanDerWaalsContact C-N 3.31Å; I41-R43 PolarHBondContact O-N 3.48Å; R43-E46 PolarHBondContact O-N 2.84Å; R43-V47 WeakPolarHBondContact O-CG2 3.5Å; R43-V47 PolarHBondContact O-N 3.4Å
44M98.8Very high98Very high0 Ų058 Ų580%029%0.287CS..Hα-helixtrans-63.3-41.3175.5-166.563.8-11200111.6W25 I28 E40 I41 R42 E46 V47 A48 L100W25-M44 HydrophobicContact CB-CE 4.13Å; W25-M44 HydrophobicContact CB-SD 4.32Å; W25-M44 HydrophobicContact CD2-CE 3.3Å; W25-M44 HydrophobicContact CE3-CE 3.6Å; W25-M44 HydrophobicContact CG-CE 3.59Å; W25-M44 HydrophobicContact CG-SD 4.39Å; W25-M44 HydrophobicContact CH2-CE 4.16Å; W25-M44 HydrophobicContact CZ2-CE 3.91Å; W25-M44 HydrophobicContact CZ3-CE 4.04Å; I28-M44 HydrophobicContact CB-SD 4.04Å; I28-M44 HydrophobicContact CD1-CE 4.46Å; I28-M44 HydrophobicContact CD1-SD 3.68Å; I28-M44 HydrophobicContact CG1-SD 4.44Å; I28-M44 HydrophobicContact CG2-CB 3.95Å; I28-M44 HydrophobicContact CG2-SD 4.28Å; E40-M44 PolarHBondContact O-N 2.82Å; I41-M44 WeakPolarHBondContact O-CB 3.44Å; I41-M44 PolarHBondContact O-N 3.44Å; I41-M44 VanDerWaalsContact O-N 3.07Å; R42-M44 VanDerWaalsContact C-N 3.31Å; R42-M44 PolarHBondContact O-N 3.12Å; M44-E46 VanDerWaalsContact C-N 3.32Å; M44-E46 PolarHBondContact O-N 3.05Å; M44-V47 HydrophobicContact CE-CB 4.01Å; M44-V47 HydrophobicContact CE-CG1 3.85Å; M44-V47 PolarHBondContact O-N 3.42Å; M44-A48 PolarHBondContact O-N 3.26Å; M44-L100 HydrophobicContact CE-CD2 4.44Å; M44-L100 HydrophobicContact CG-CB 3.81Å; M44-L100 HydrophobicContact CG-CD1 4.33Å; M44-L100 HydrophobicContact CG-CD2 4.39Å; M44-L100 HydrophobicContact CG-CG 4.4Å
45M98.7Very high97.9Very high22 Ų2255.2 Ų55.211%0.10828%0.278CS..Hα-helixtrans-61.6-40.1174.1-56.3-48.7-64.800111.8I41 R42 A48 A49 L61 P79 L81 L100I41-M45 WeakPolarHBondContact O-CG 3.17Å; I41-M45 PolarHBondContact O-N 3.01Å; R42-M45 WeakPolarHBondContact O-CB 3.26Å; R42-M45 PolarHBondContact O-N 3.18Å; R42-M45 VanDerWaalsContact O-N 3.15Å; M45-A48 PolarHBondContact O-N 3.3Å; M45-A49 VanDerWaalsContact O-CB 3.3Å; M45-A49 WeakPolarHBondContact O-CB 3.43Å; M45-A49 PolarHBondContact O-N 2.92Å; M45-L61 HydrophobicContact CB-CD2 4.07Å; M45-P79 HydrophobicContact CB-CG 4.16Å; M45-P79 HydrophobicContact CG-CG 4.07Å; M45-L81 HydrophobicContact CE-CB 3.52Å; M45-L100 HydrophobicContact CE-CD1 4.24Å; M45-L100 HydrophobicContact SD-CB 3.98Å; M45-L100 HydrophobicContact SD-CD1 3.83Å; M45-L100 HydrophobicContact SD-CG 4.43Å
46E98.6Very high97.8Very high98 Ų9855.8 Ų55.846%0.45829%0.293SS..Hα-helixtrans-66.4-39177.1-70.7165.9-17700112.4R42 R43 M44 A49 A50 L61R42-E46 WeakPolarHBondContact O-CG 3.45Å; R42-E46 PolarHBondContact O-N 3.35Å; R43-E46 PolarHBondContact O-N 2.84Å; M44-E46 VanDerWaalsContact C-N 3.32Å; M44-E46 PolarHBondContact O-N 3.05Å; E46-A49 PolarHBondContact O-N 3.4Å; E46-A50 WeakPolarHBondContact O-CB 3.45Å; E46-A50 PolarHBondContact O-N 3.32Å; E46-L61 HydrophobicContact CG-CD1 4.06Å
47V98.6Very high97.7Very high46 Ų4650 Ų5028%0.27927%0.269SS..Hα-helixtrans-62.4-46.6174.6168.30000110.9W25 I28 R43 M44 A49 A50 D51W25-V47 HydrophobicContact CZ2-CG1 4.31Å; I28-V47 HydrophobicContact CD1-CG2 3.96Å; R43-V47 WeakPolarHBondContact O-CG2 3.5Å; R43-V47 PolarHBondContact O-N 3.4Å; M44-V47 HydrophobicContact CE-CB 4.01Å; M44-V47 HydrophobicContact CE-CG1 3.85Å; M44-V47 PolarHBondContact O-N 3.42Å; V47-A49 VanDerWaalsContact C-N 3.34Å; V47-A49 PolarHBondContact O-N 3.17Å; V47-A50 WeakPolarHBondContact O-CB 3.45Å; V47-A50 PolarHBondContact O-N 3.39Å; V47-D51 PolarHBondContact O-N 2.87Å
48A98.4Very high97.7Very high5 Ų551 Ų514%0.04128%0.284CS..Hα-helixtrans-65.7-37.3176.200000112.3W25 M44 M45 A50 D51 V52 L81 L100W25-A48 HydrophobicContact CH2-CB 3.96Å; W25-A48 HydrophobicContact CZ2-CB 4.23Å; M44-A48 PolarHBondContact O-N 3.26Å; M45-A48 PolarHBondContact O-N 3.3Å; A48-A50 VanDerWaalsContact C-N 3.32Å; A48-A50 PolarHBondContact O-N 3.13Å; A48-D51 WeakPolarHBondContact O-CB 3.13Å; A48-D51 PolarHBondContact O-N 3.46Å; A48-V52 PolarHBondContact O-N 3.43Å; A48-V52 VanDerWaalsContact O-N 3.14Å; A48-L81 HydrophobicContact CB-CD1 3.93Å; A48-L100 HydrophobicContact CB-CD1 3.46Å; A48-L100 VanDerWaalsContact CB-CD1 3.46Å
49A98.4Very high97.7Very high4 Ų451.3 Ų51.33%0.03329%0.288CS..Hα-helixtrans-62.6-39.3174.400000112M45 E46 V47 D51 V52 K53 V59 L61 L81M45-A49 VanDerWaalsContact O-CB 3.3Å; M45-A49 WeakPolarHBondContact O-CB 3.43Å; M45-A49 PolarHBondContact O-N 2.92Å; E46-A49 PolarHBondContact O-N 3.4Å; V47-A49 VanDerWaalsContact C-N 3.34Å; V47-A49 PolarHBondContact O-N 3.17Å; A49-D51 VanDerWaalsContact C-N 3.33Å; A49-V52 PolarHBondContact O-N 2.93Å; A49-K53 WeakPolarHBondContact O-CG 3.49Å; A49-K53 PolarHBondContact O-N 3.31Å; A49-V59 HydrophobicContact CB-CB 4.36Å; A49-V59 HydrophobicContact CB-CG1 3.69Å; A49-V59 HydrophobicContact CB-CG2 4.44Å; A49-L61 HydrophobicContact CB-CD2 4.37Å; A49-L81 HydrophobicContact CB-CD1 3.91Å
50A98.4Very high97.7Very high40 Ų4054.6 Ų54.633%0.33129%0.29SS..Hα-helixtrans-62.8-40.8176.300000111.6E46 V47 A48 K53 Q54E46-A50 WeakPolarHBondContact O-CB 3.45Å; E46-A50 PolarHBondContact O-N 3.32Å; V47-A50 WeakPolarHBondContact O-CB 3.45Å; V47-A50 PolarHBondContact O-N 3.39Å; A48-A50 VanDerWaalsContact C-N 3.32Å; A48-A50 PolarHBondContact O-N 3.13Å; A50-K53 PolarHBondContact O-N 2.94Å; A50-Q54 WeakPolarHBondContact O-CB 3.35Å; A50-Q54 VanDerWaalsContact O-CG 3.28Å; A50-Q54 WeakPolarHBondContact O-CG 3.24Å; A50-Q54 PolarHBondContact O-N 3.43Å
51D96.8Very high97.7Very high21 Ų2155.2 Ų55.211%0.11229%0.294CS..Hα-helixtrans-62-46.3175.6-80.9-33.9000112.5K21 W25 V47 A48 A49 K53 Q54 L55 I141K21-D51 WeakPolarHBondContact CE-OD2 3.38Å; K21-D51 IonicContact NZ-OD1 3.09Å; K21-D51 PolarHBondContact NZ-OD1 3.07Å; K21-D51 IonicContact NZ-OD2 3.09Å; K21-D51 PolarHBondContact NZ-OD2 2.65Å; W25-D51 WeakPolarHBondContact CZ2-OD2 3.41Å; V47-D51 PolarHBondContact O-N 2.87Å; A48-D51 WeakPolarHBondContact O-CB 3.13Å; A48-D51 PolarHBondContact O-N 3.46Å; A49-D51 VanDerWaalsContact C-N 3.33Å; D51-K53 VanDerWaalsContact C-N 3.29Å; D51-K53 PolarHBondContact O-N 3.32Å; D51-Q54 PolarHBondContact O-N 3.29Å; D51-L55 WeakPolarHBondContact O-CG 3.48Å; D51-L55 PolarHBondContact O-N 3.49Å; D51-L55 VanDerWaalsContact O-N 3.08Å; D51-I141 HydrophobicContact CB-CD1 3.94Å; D51-I141 HydrophobicContact CB-CG2 3.8Å
52V96.9Very high97.7Very high26 Ų2657 Ų5716%0.15831%0.305CS..Hα-helixtrans-62.2-39177176.30000111.1A48 A49 L55 G57 V59A48-V52 PolarHBondContact O-N 3.43Å; A48-V52 VanDerWaalsContact O-N 3.14Å; A49-V52 PolarHBondContact O-N 2.93Å; V52-L55 WeakPolarHBondContact O-CB 3.12Å; V52-L55 PolarHBondContact O-N 2.76Å; V52-G57 WeakPolarHBondContact O-CA 3.43Å; V52-G57 PolarHBondContact O-N 3.32Å; V52-V59 HydrophobicContact CB-CG2 3.56Å; V52-V59 HydrophobicContact CG1-CG2 3.47Å; V52-V59 VanDerWaalsContact CG1-CG2 3.47Å; V52-V59 HydrophobicContact CG2-CG2 4.47Å
53K97.4Very high97.7Very high129 Ų12957.7 Ų57.756%0.56132%0.317SS*.Hα-helixtrans-65.7-38.8174.5-72.7174.7-178.4179.30112.6A49 A50 D51 L55 G56 V59A49-K53 WeakPolarHBondContact O-CG 3.49Å; A49-K53 PolarHBondContact O-N 3.31Å; A50-K53 PolarHBondContact O-N 2.94Å; D51-K53 VanDerWaalsContact C-N 3.29Å; D51-K53 PolarHBondContact O-N 3.32Å; K53-L55 PolarHBondContact O-N 3.39Å; K53-G56 WeakPolarHBondContact O-CA 3.44Å; K53-G56 PolarHBondContact O-N 3.08Å; K53-V59 HydrophobicContact CG-CG2 4.12Å
54Q96.3Very high97.6Very high149 Ų14955.2 Ų55.270%0.69631%0.312SS*.Hα-helixtrans-64.3-30.6176.1-76.4174.317.700112.4A50 D51 G56A50-Q54 WeakPolarHBondContact O-CB 3.35Å; A50-Q54 VanDerWaalsContact O-CG 3.28Å; A50-Q54 WeakPolarHBondContact O-CG 3.24Å; A50-Q54 PolarHBondContact O-N 3.43Å; D51-Q54 PolarHBondContact O-N 3.29Å; Q54-G56 PolarHBondContact O-N 3.18Å
55L94.8Very high97.6Very high13 Ų1356.8 Ų56.87%0.06833%0.328CS..THydrogen-bonded Turntrans-73.2-1.9170-64.2171.4000112.9D51 V52 K53 L85 I141 L144 E145 Q148D51-L55 WeakPolarHBondContact O-CG 3.48Å; D51-L55 PolarHBondContact O-N 3.49Å; D51-L55 VanDerWaalsContact O-N 3.08Å; V52-L55 WeakPolarHBondContact O-CB 3.12Å; V52-L55 PolarHBondContact O-N 2.76Å; K53-L55 PolarHBondContact O-N 3.39Å; L55-L85 HydrophobicContact CB-CD1 4.12Å; L55-L85 HydrophobicContact CB-CD2 4.23Å; L55-L85 HydrophobicContact CD1-CD2 4.42Å; L55-L85 WeakPolarHBondContact O-CD1 3.16Å; L55-I141 HydrophobicContact CD1-CG2 4.23Å; L55-L144 HydrophobicContact CD1-CB 3.83Å; L55-L144 HydrophobicContact CD1-CD1 4.16Å; L55-L144 HydrophobicContact CD2-CB 4.4Å; L55-E145 HydrophobicContact CD2-CB 3.86Å; L55-E145 HydrophobicContact CD2-CG 4.44Å; L55-Q148 PolarHBondContact O-NE2 2.86Å
56G95.8Very high97.6Very high66 Ų6662.5 Ų62.568%0.6835%0.352SS*.THydrogen-bonded Turntrans81.716.5-176.400000114.1K53 Q54K53-G56 WeakPolarHBondContact O-CA 3.44Å; K53-G56 PolarHBondContact O-N 3.08Å; Q54-G56 PolarHBondContact O-N 3.18Å
57G95.1Very high97.5Very high13 Ų1361.1 Ų61.113%0.13435%0.346CS..  trans-84.4163.2174.100000113.3V52 R84V52-G57 WeakPolarHBondContact O-CA 3.43Å; V52-G57 PolarHBondContact O-N 3.32Å; G57-R84 CarbonylContact C-O 3.49Å; G57-R84 WeakPolarHBondContact CA-O 3.5Å
58S97.5Very high97.5Very high77 Ų7766 Ų6654%0.53836%0.363SS..EExtended strand (participates in β ladder)trans-94.5149.7166.561.80000110.4G83 R84S58-G83 WeakPolarHBondContact O-CA 3.5Å; S58-R84 PolarHBondContact N-O 2.86Å; S58-R84 PolarHBondContact O-N 3.42Å
59V98.3Very high97.4Very high31 Ų3167 Ų6719%0.18837%0.367CS..EExtended strand (participates in β ladder)trans-138.4137.6179.2-178.70000110.1A49 V52 K53 L61 L81 L82A49-V59 HydrophobicContact CB-CB 4.36Å; A49-V59 HydrophobicContact CB-CG1 3.69Å; A49-V59 HydrophobicContact CB-CG2 4.44Å; V52-V59 HydrophobicContact CB-CG2 3.56Å; V52-V59 HydrophobicContact CG1-CG2 3.47Å; V52-V59 VanDerWaalsContact CG1-CG2 3.47Å; V52-V59 HydrophobicContact CG2-CG2 4.47Å; K53-V59 HydrophobicContact CG-CG2 4.12Å; V59-L61 HydrophobicContact CG1-CD2 4.47Å; V59-L81 HydrophobicContact CG1-CD1 4.28Å; V59-L81 HydrophobicContact CG1-CD2 4.05Å; V59-L81 HydrophobicContact CG1-CG 3.73Å; V59-L82 WeakPolarHBondContact CA-O 3.45Å
60E98.5Very high97.3Very high121 Ų12173.6 Ų73.657%0.56541%0.41SS*.EExtended strand (participates in β ladder)trans-118129.2166.3-171.9179177.100109.2V62 L82E60-V62 HydrophobicContact CB-CG2 4.48Å; E60-V62 HydrophobicContact CG-CG2 3.86Å; E60-L82 HydrophobicContact CB-CB 4.46Å; E60-L82 PolarHBondContact N-O 3.28Å; E60-L82 PolarHBondContact O-N 2.98Å
61L98.4Very high97.1Very high65 Ų6577.6 Ų77.634%0.3443%0.426SS..EExtended strand (participates in β ladder)trans-99.594.8170.3-68.9-179.4000107.6M45 E46 A49 V59 P79 L81M45-L61 HydrophobicContact CB-CD2 4.07Å; E46-L61 HydrophobicContact CG-CD1 4.06Å; A49-L61 HydrophobicContact CB-CD2 4.37Å; V59-L61 HydrophobicContact CG1-CD2 4.47Å; L61-P79 HydrophobicContact CB-CB 4Å; L61-P79 HydrophobicContact CB-CG 4.28Å; L61-P79 HydrophobicContact CD2-CG 4.38Å; L61-L81 HydrophobicContact CD2-CB 3.84Å; L61-L81 HydrophobicContact CD2-CD1 4.21Å; L61-L81 HydrophobicContact CD2-CG 3.98Å
62V98.4Very high97.1Very high39 Ų3978.5 Ų78.524%0.23644%0.44CS..EExtended strand (participates in β ladder)trans-76.9124.8-172.8-176.60000110E60 I64 P79 I80 L82E60-V62 HydrophobicContact CB-CG2 4.48Å; E60-V62 HydrophobicContact CG-CG2 3.86Å; V62-I64 HydrophobicContact CG1-CG2 4.33Å; V62-P79 CarbonylContact O-C 3.55Å; V62-P79 WeakPolarHBondContact O-CA 3.21Å; V62-P79 WeakPolarHBondContact O-CB 3.34Å; V62-I80 HydrophobicContact CB-CB 4.49Å; V62-I80 PolarHBondContact N-O 3.04Å; V62-I80 PolarHBondContact O-N 2.72Å; V62-L82 HydrophobicContact CG2-CD1 3.71Å; V62-L82 HydrophobicContact CG2-CG 3.94Å
63D98.2Very high97.1Very high119 Ų11979.6 Ų79.664%0.63645%0.449SS*.  trans-74.4125169.9-169.5-7.9000109.8G65D63-G65 PolarHBondContact OD1-N 3.3Å
64I98.1Very high97.1Very high76 Ų7678.8 Ų78.839%0.3945%0.447SS..  trans-11210.5-178.660.8166.6000112.6V62 L77 I80V62-I64 HydrophobicContact CG1-CG2 4.33Å; I64-L77 HydrophobicContact CD1-CB 3.89Å; I64-L77 HydrophobicContact CD1-CD1 3.96Å; I64-L77 HydrophobicContact CD1-CG 4.38Å; I64-L77 HydrophobicContact CG1-CB 3.64Å; I64-L77 HydrophobicContact CG1-CD1 3.94Å; I64-L77 HydrophobicContact CG1-CG 4.39Å; I64-I80 HydrophobicContact CD1-CD1 4.26Å; I64-I80 HydrophobicContact CD1-CG1 4.11Å; I64-I80 HydrophobicContact CG2-CD1 3.76Å; I64-I80 HydrophobicContact CG2-CG1 3.9Å
65G98Very high97.2Very high32 Ų3273 Ų7333%0.3342%0.421SS..  trans95-141.8173.300000113.9D63 L77D63-G65 PolarHBondContact OD1-N 3.3Å; G65-L77 PolarHBondContact O-N 2.66Å
66K98.3Very high97.3Very high142 Ų14275.7 Ų75.762%0.61744%0.439SS*.EExtended strand (participates in β ladder)trans-123.7150.6-169.5-61.3-179.5-176.61790111.8E74 I75K66-E74 HydrophobicContact CB-CB 4.48Å; K66-E74 HydrophobicContact CD-CB 4.23Å; K66-E74 WeakPolarHBondContact CD-OE2 3.49Å; K66-E74 IonicContact NZ-OE2 3.55Å; K66-I75 CarbonylContact C-O 3.3Å; K66-I75 WeakPolarHBondContact CA-O 3.41Å
67Q97.8Very high97.5Very high70 Ų7074.7 Ų74.733%0.32742%0.418SS..EExtended strand (participates in β ladder)trans-101.5130.3170.6-177.7-177.99.100109.2L69 E74 I75 L77Q67-L69 HydrophobicContact CG-CD2 4.49Å; Q67-E74 WeakPolarHBondContact O-CA 3.46Å; Q67-I75 HydrophobicContact CB-CG1 4.2Å; Q67-I75 PolarHBondContact N-O 2.88Å; Q67-I75 PolarHBondContact O-N 3.39Å; Q67-L77 HydrophobicContact CB-CD2 3.88Å; Q67-L77 HydrophobicContact CB-CG 4.06Å
68K97.9Very high97.6Very high148 Ų14875.2 Ų75.264%0.64342%0.419SS*.EExtended strand (participates in β ladder)trans-84.6125.3168.8-169.9171.7-176.5175.20109.9
69L96.9Very high97.7Very high25 Ų2572 Ų7213%0.13140%0.396CS..PPolyproline II helixtrans-84.4163.8178.1-63.7-172.6000111.4P35 Q67 D71 G72 S73 I75P35-L69 HydrophobicContact CB-CD1 4.11Å; P35-L69 HydrophobicContact CG-CD1 3.96Å; P35-L69 HydrophobicContact CG-CD2 4.39Å; Q67-L69 HydrophobicContact CG-CD2 4.49Å; L69-D71 WeakPolarHBondContact CB-OD1 3.46Å; L69-D71 PolarHBondContact O-N 3.07Å; L69-G72 PolarHBondContact O-N 3.38Å; L69-S73 PolarHBondContact N-O 3.04Å; L69-I75 HydrophobicContact CD1-CD1 4.25Å; L69-I75 HydrophobicContact CD1-CG1 4.43Å; L69-I75 HydrophobicContact CD1-CG2 3.96Å; L69-I75 HydrophobicContact CD2-CD1 3.85Å; L69-I75 HydrophobicContact CD2-CG1 4.12Å; L69-I75 HydrophobicContact CG-CD1 4.35Å; L69-I75 HydrophobicContact CG-CG1 4.28Å
70P96.1Very high97.7Very high143 Ų14374.6 Ų74.693%0.92941%0.408SS*.THydrogen-bonded Turntrans-59.3-28180-26.736.3000114.8G72P70-G72 PolarHBondContact O-N 3.33Å
71D94.8Very high97.7Very high124 Ų12470.8 Ų70.866%0.66339%0.392SS*.THydrogen-bonded Turntrans-79.9-0.7176.268.4-3.2000113.5L69 S73L69-D71 WeakPolarHBondContact CB-OD1 3.46Å; L69-D71 PolarHBondContact O-N 3.07Å; D71-S73 VanDerWaalsContact C-N 3.34Å; D71-S73 VanDerWaalsContact OD1-CB 3.29Å; D71-S73 WeakPolarHBondContact OD1-CB 3.28Å; D71-S73 PolarHBondContact OD1-N 3.2Å; D71-S73 PolarHBondContact OD1-OG 3.15Å; D71-S73 PolarHBondContact OD2-OG 3.17Å
72G95.9Very high97.7Very high40 Ų4072.4 Ų72.441%0.41240%0.4SS..SBendtrans87.5-6.7-179.400000114.9L69 P70L69-G72 PolarHBondContact O-N 3.38Å; P70-G72 PolarHBondContact O-N 3.33Å
73S96.4Very high97.7Very high49 Ų4972.8 Ų72.834%0.34341%0.412SS..  trans-70.9163.1173.570.70000111.8L69 D71L69-S73 PolarHBondContact N-O 3.04Å; D71-S73 VanDerWaalsContact C-N 3.34Å; D71-S73 VanDerWaalsContact OD1-CB 3.29Å; D71-S73 WeakPolarHBondContact OD1-CB 3.28Å; D71-S73 PolarHBondContact OD1-N 3.2Å; D71-S73 PolarHBondContact OD1-OG 3.15Å; D71-S73 PolarHBondContact OD2-OG 3.17Å
74E98.1Very high97.6Very high113 Ų11374.2 Ų74.253%0.52841%0.408SS..EExtended strand (participates in β ladder)trans-122.5138.8179-68.2-174.5167.500111.6K66 Q67K66-E74 HydrophobicContact CB-CB 4.48Å; K66-E74 HydrophobicContact CD-CB 4.23Å; K66-E74 WeakPolarHBondContact CD-OE2 3.49Å; K66-E74 IonicContact NZ-OE2 3.55Å; Q67-E74 WeakPolarHBondContact O-CA 3.46Å
75I97.6Very high97.5Very high27 Ų2774 Ų7414%0.13841%0.408CS..EExtended strand (participates in β ladder)trans-126.4151.6172.862.5173.3000110.1P35 K66 Q67 L69 L77P35-I75 HydrophobicContact CB-CD1 4.09Å; K66-I75 CarbonylContact C-O 3.3Å; K66-I75 WeakPolarHBondContact CA-O 3.41Å; Q67-I75 HydrophobicContact CB-CG1 4.2Å; Q67-I75 PolarHBondContact N-O 2.88Å; Q67-I75 PolarHBondContact O-N 3.39Å; L69-I75 HydrophobicContact CD1-CD1 4.25Å; L69-I75 HydrophobicContact CD1-CG1 4.43Å; L69-I75 HydrophobicContact CD1-CG2 3.96Å; L69-I75 HydrophobicContact CD2-CD1 3.85Å; L69-I75 HydrophobicContact CD2-CG1 4.12Å; L69-I75 HydrophobicContact CG-CD1 4.35Å; L69-I75 HydrophobicContact CG-CG1 4.28Å; I75-L77 PolarHBondContact O-N 3.34Å
76P98Very high97.2Very high70 Ų7075.1 Ų75.146%0.45542%0.419SS..EExtended strand (participates in β ladder)trans-64138175.627.1-34.5000110.7R38R38-P76 WeakPolarHBondContact CD-O 3.31Å; R38-P76 VanDerWaalsContact CG-O 3.27Å; R38-P76 WeakPolarHBondContact CG-O 3.38Å
77L98.4Very high97Very high45 Ų4572.8 Ų72.824%0.23642%0.42CS..PPolyproline II helixtrans-68.3150.8167.3-78.8162.6000109.8I64 G65 Q67 I75I64-L77 HydrophobicContact CD1-CB 3.89Å; I64-L77 HydrophobicContact CD1-CD1 3.96Å; I64-L77 HydrophobicContact CD1-CG 4.38Å; I64-L77 HydrophobicContact CG1-CB 3.64Å; I64-L77 HydrophobicContact CG1-CD1 3.94Å; I64-L77 HydrophobicContact CG1-CG 4.39Å; G65-L77 PolarHBondContact O-N 2.66Å; Q67-L77 HydrophobicContact CB-CD2 3.88Å; Q67-L77 HydrophobicContact CB-CG 4.06Å; I75-L77 PolarHBondContact O-N 3.34Å
78P98.2Very high96.8Very high24 Ų2472.9 Ų72.916%0.15642%0.423CS..PPolyproline II helixtrans-60.9146.2166.8-17.631.7000110.3I41I41-P78 HydrophobicContact CB-CB 4.31Å; I41-P78 HydrophobicContact CB-CG 4.15Å; I41-P78 HydrophobicContact CD1-CG 4.03Å; I41-P78 HydrophobicContact CG2-CB 3.62Å; I41-P78 HydrophobicContact CG2-CG 3.67Å
79P98.5Very high96.5Very high8 Ų871.7 Ų71.75%0.05243%0.431CS..PPolyproline II helixtrans-68.6155.5176.530.4-34.6000111.2M45 L61 V62M45-P79 HydrophobicContact CB-CG 4.16Å; M45-P79 HydrophobicContact CG-CG 4.07Å; L61-P79 HydrophobicContact CB-CB 4Å; L61-P79 HydrophobicContact CB-CG 4.28Å; L61-P79 HydrophobicContact CD2-CG 4.38Å; V62-P79 CarbonylContact O-C 3.55Å; V62-P79 WeakPolarHBondContact O-CA 3.21Å; V62-P79 WeakPolarHBondContact O-CB 3.34Å
80I98.8Very high96.3Very high87 Ų8777.4 Ų77.445%0.44646%0.457SS..EExtended strand (participates in β ladder)trans-88.7129.5166.4-63.9180000108.5V62 I64 L82V62-I80 HydrophobicContact CB-CB 4.49Å; V62-I80 PolarHBondContact N-O 3.04Å; V62-I80 PolarHBondContact O-N 2.72Å; I64-I80 HydrophobicContact CD1-CD1 4.26Å; I64-I80 HydrophobicContact CD1-CG1 4.11Å; I64-I80 HydrophobicContact CG2-CD1 3.76Å; I64-I80 HydrophobicContact CG2-CG1 3.9Å; I80-L82 HydrophobicContact CG2-CD2 3.98Å; I80-L82 HydrophobicContact CG2-CG 4.39Å
81L98.7Very high96.1Very high41 Ų4173.6 Ų73.622%0.21543%0.425CS..EExtended strand (participates in β ladder)trans-86.7113.9174.5-174163.5000109.7M45 A48 A49 V59 L61M45-L81 HydrophobicContact CE-CB 3.52Å; A48-L81 HydrophobicContact CB-CD1 3.93Å; A49-L81 HydrophobicContact CB-CD1 3.91Å; V59-L81 HydrophobicContact CG1-CD1 4.28Å; V59-L81 HydrophobicContact CG1-CD2 4.05Å; V59-L81 HydrophobicContact CG1-CG 3.73Å; L61-L81 HydrophobicContact CD2-CB 3.84Å; L61-L81 HydrophobicContact CD2-CD1 4.21Å; L61-L81 HydrophobicContact CD2-CG 3.98Å
82L98.7Very high96Very high99 Ų9975.3 Ų75.352%0.51843%0.427SS..EExtended strand (participates in β ladder)trans-103105.5168-60.5-174.7000109V59 E60 V62 I80V59-L82 WeakPolarHBondContact CA-O 3.45Å; E60-L82 HydrophobicContact CB-CB 4.46Å; E60-L82 PolarHBondContact N-O 3.28Å; E60-L82 PolarHBondContact O-N 2.98Å; V62-L82 HydrophobicContact CG2-CD1 3.71Å; V62-L82 HydrophobicContact CG2-CG 3.94Å; I80-L82 HydrophobicContact CG2-CD2 3.98Å; I80-L82 HydrophobicContact CG2-CG 4.39Å
83G97.4Very high96Very high47 Ų4779.9 Ų79.949%0.48545%0.447SS..EExtended strand (participates in β ladder)trans-107.5141-179.500000111.6S58S58-G83 WeakPolarHBondContact O-CA 3.5Å
84R97.3Very high96Very high149 Ų14983.1 Ų83.156%0.56247%0.465SS*.EExtended strand (participates in β ladder)trans-129.8128171.6-174.2175.2-175.6152.43110.5G57 S58 G86G57-R84 CarbonylContact C-O 3.49Å; G57-R84 WeakPolarHBondContact CA-O 3.5Å; S58-R84 PolarHBondContact N-O 2.86Å; S58-R84 PolarHBondContact O-N 3.42Å; R84-G86 PolarHBondContact NE-O 3.03Å
85L95.6Very high96Very high71 Ų7183.6 Ų83.637%0.37248%0.479SS..  trans-120.9108.8174.7-177.663.9000109.5L55 L144L55-L85 HydrophobicContact CB-CD1 4.12Å; L55-L85 HydrophobicContact CB-CD2 4.23Å; L55-L85 HydrophobicContact CD1-CD2 4.42Å; L55-L85 WeakPolarHBondContact O-CD1 3.16Å; L85-L144 HydrophobicContact CD2-CB 4.49Å; L85-L144 HydrophobicContact CD2-CD1 4.07Å; L85-L144 HydrophobicContact CD2-CD2 4.2Å; L85-L144 HydrophobicContact CD2-CG 4.5Å
86G93Very high96Very high55 Ų5586.2 Ų86.257%0.56749%0.493SS*.  trans80.3163.6-176.400000114.9R84R84-G86 PolarHBondContact NE-O 3.03Å
87S93.8Very high96Very high93 Ų9392.2 Ų92.265%0.6551%0.507SS*.  trans-150.623.8-177.261.60000112.9P89S87-P89 WeakPolarHBondContact O-CD 3.38Å
88D92.6Very high96Very high72 Ų7291.5 Ų91.539%0.38551%0.511SS..  trans-70.9116-176.8-178.2-9.5000111.1Q90 K91D88-Q90 PolarHBondContact O-N 3.12Å; D88-Q90 WeakPolarHBondContact OD1-CB 3.26Å; D88-Q90 PolarHBondContact OD1-N 3.11Å; D88-K91 HydrophobicContact CB-CB 4.46Å; D88-K91 HydrophobicContact CB-CD 4.21Å; D88-K91 HydrophobicContact CB-CG 4.15Å; D88-K91 PolarHBondContact O-N 3.05Å; D88-K91 WeakPolarHBondContact OD2-CE 3.24Å
89P92.5Very high96.1Very high123 Ų12393.1 Ų93.180%0.79952%0.516SS*.THydrogen-bonded Turntrans-67.9-13.5-178.929.5-35.9000113.8S87 K91S87-P89 WeakPolarHBondContact O-CD 3.38Å; P89-K91 VanDerWaalsContact C-N 3.35Å
90Q92.8Very high96.1Very high145 Ų14593.3 Ų93.368%0.67852%0.517SS*.THydrogen-bonded Turntrans-79.5-21.3176.9-58.1-170.2-7.900112.4D88 R157D88-Q90 PolarHBondContact O-N 3.12Å; D88-Q90 WeakPolarHBondContact OD1-CB 3.26Å; D88-Q90 PolarHBondContact OD1-N 3.11Å; Q90-R157 PolarHBondContact O-NE 3.41Å; Q90-R157 PolarHBondContact O-NH2 2.96Å
91K90.5Very high96.1Very high63 Ų6391.6 Ų91.627%0.27451%0.509SS..SBendtrans-93.3162.5-178.6-63.3-172-173.6-175.50112.7D88 P89 C154D88-K91 HydrophobicContact CB-CB 4.46Å; D88-K91 HydrophobicContact CB-CD 4.21Å; D88-K91 HydrophobicContact CB-CG 4.15Å; D88-K91 PolarHBondContact O-N 3.05Å; D88-K91 WeakPolarHBondContact OD2-CE 3.24Å; P89-K91 VanDerWaalsContact C-N 3.35Å; K91-C154 PolarHBondContact NZ-O 2.8Å; K91-C154 VanDerWaalsContact NZ-O 3.07Å
92K93.1Very high96.1Very high161 Ų16189.9 Ų89.970%0.750%0.5SS*.PPolyproline II helixtrans-81.6147170.6-62-62.5-174.5175.90109.8
93T95.6Very high96.1Very high136 Ų13690.5 Ų90.583%0.83450%0.5SS*.PPolyproline II helixtrans-95.4124.9171.6-52.70000108.5
94V96.8Very high96.1Very high117 Ų11790.1 Ų90.171%0.70949%0.489SS*.  trans-109.1130.8172.3-179.20000108.2I96V94-I96 HydrophobicContact CG1-CG1 4.42Å
95C97.9Very high96.2Very high123 Ų12383.1 Ų83.183%0.83146%0.463SS*.  trans-92.6124.3170.4-1720000108.7
96I98.2Very high96.3Very high82 Ų8280.7 Ų80.742%0.42145%0.453SS..  trans-105.6125.2173.5-60.1172.4000106.9V94 W140V94-I96 HydrophobicContact CG1-CG1 4.42Å; I96-W140 HydrophobicContact CD1-CB 4.38Å; I96-W140 HydrophobicContact CD1-CD2 3.96Å; I96-W140 HydrophobicContact CD1-CE3 3.9Å; I96-W140 HydrophobicContact CD1-CG 4.19Å; I96-W140 HydrophobicContact CG2-CB 4.48Å; I96-W140 HydrophobicContact CG2-CD2 4.18Å; I96-W140 HydrophobicContact CG2-CG 3.85Å
97Y98.6Very high96.6Very high196 Ų19681.5 Ų81.577%0.76944%0.444SS*.  trans-116.3142173.8170.7-95.9000109.2
98G98.5Very high96.8Very high30 Ų3084.7 Ų84.731%0.30945%0.449SS..  trans-165.2175.3172.300000109D133G98-D133 VanDerWaalsContact CA-OD2 3.3Å; G98-D133 WeakPolarHBondContact CA-OD2 3.4Å
99H98.8Very high97Very high57 Ų5786.6 Ų86.626%0.26446%0.459SS..  trans-126.8158176.565.893.9000111.5D101 D132 D133H99-D101 IonicContact CG-OD1 2.93Å; H99-D101 PolarHBondContact ND1-O 3.29Å; H99-D101 IonicContact ND1-OD1 2.65Å; H99-D132 IonicContact CE1-OD1 3.98Å; H99-D132 PolarHBondContact CE1-OD1 2.88Å; H99-D132 IonicContact NE2-OD1 3.57Å; H99-D132 PolarHBondContact NE2-OD1 2.95Å; H99-D132 VanDerWaalsContact NE2-OD1 3.09Å; H99-D133 IonicContact CD2-OD2 3.9Å; H99-D133 PolarHBondContact N-OD2 2.9Å; H99-D133 WeakPolarHBondContact NE2-CB 3.1Å
100L98.8Very high97.3Very high13 Ų1383.8 Ų83.87%0.06845%0.452CS..  trans-124.1-6.4-174.3-70176.2000113W25 S30 M44 M45 A48 V137W25-L100 HydrophobicContact CE3-CD2 4.11Å; W25-L100 HydrophobicContact CH2-CD2 4.26Å; W25-L100 HydrophobicContact CZ3-CD2 3.55Å; S30-L100 WeakPolarHBondContact CB-O 3.31Å; S30-L100 PolarHBondContact OG-O 2.81Å; M44-L100 HydrophobicContact CE-CD2 4.44Å; M44-L100 HydrophobicContact CG-CB 3.81Å; M44-L100 HydrophobicContact CG-CD1 4.33Å; M44-L100 HydrophobicContact CG-CD2 4.39Å; M44-L100 HydrophobicContact CG-CG 4.4Å; M45-L100 HydrophobicContact CE-CD1 4.24Å; M45-L100 HydrophobicContact SD-CB 3.98Å; M45-L100 HydrophobicContact SD-CD1 3.83Å; M45-L100 HydrophobicContact SD-CG 4.43Å; A48-L100 HydrophobicContact CB-CD1 3.46Å; A48-L100 VanDerWaalsContact CB-CD1 3.46Å; L100-V137 HydrophobicContact CD2-CB 4.29Å; L100-V137 HydrophobicContact CD2-CG1 4.02Å
101D98.7Very high97.6Very high51 Ų5180.1 Ų80.127%0.27343%0.432SS..  trans-78.3156.7162.768.9-54.6000111S30 S32 I41 H99S30-D101 CarbonylContact O-C 3.56Å; S30-D101 WeakPolarHBondContact O-CA 3.4Å; S30-D101 WeakPolarHBondContact O-CB 3.32Å; S32-D101 WeakPolarHBondContact CB-OD2 3.08Å; S32-D101 PolarHBondContact OG-OD2 3.5Å; I41-D101 HydrophobicContact CG2-CB 4.42Å; H99-D101 IonicContact CG-OD1 2.93Å; H99-D101 PolarHBondContact ND1-O 3.29Å; H99-D101 IonicContact ND1-OD1 2.65Å
102V98.8Very high98Very high4 Ų484 Ų842%0.02446%0.456CS..BIsolated β-bridgetrans-135160.3-176.5-600000110.5S30 V31 F116 R128 K134S30-V102 PolarHBondContact O-N 2.7Å; V31-V102 WeakPolarHBondContact CA-O 3.33Å; V31-V102 HydrophobicContact CG2-CG2 4.03Å; V102-F116 HydrophobicContact CG2-CE1 4.05Å; V102-R128 HydrophobicContact CB-CG 4.1Å; V102-R128 HydrophobicContact CG2-CG 3.88Å; V102-K134 HydrophobicContact CG1-CD 4.26Å; V102-K134 HydrophobicContact CG1-CG 4.45Å
103Q98.8Very high98.2Very high112 Ų11277.2 Ų77.252%0.52343%0.429SS..  trans-65.5154.9172.2-72.3-69.4-0.300112.2R128Q103-R128 WeakPolarHBondContact O-CD 3.38Å; Q103-R128 WeakPolarHBondContact O-CG 3.14Å; Q103-R128 PolarHBondContact O-NE 3.2Å; Q103-R128 VanDerWaalsContact O-NE 3.08Å
104P98.6Very high98.3Very high39 Ų3975.8 Ų75.825%0.25341%0.412SS..  trans-49.5149.9164.9-29.138.3000112.8V31 A33 W34 R128V31-P104 HydrophobicContact CG1-CB 4.28Å; V31-P104 HydrophobicContact CG1-CG 3.73Å; A33-P104 HydrophobicContact CB-CG 3.83Å; W34-P104 HydrophobicContact CH2-CB 4.4Å; W34-P104 HydrophobicContact CZ2-CB 3.57Å; W34-P104 HydrophobicContact CZ2-CG 4.39Å; P104-R128 PolarHBondContact O-NE 3.27Å; P104-R128 PolarHBondContact O-NH2 2.96Å
105A98.4Very high98.4Very high3 Ų370.3 Ų70.33%0.02538%0.38CS..  trans-160136.4167.900000109.4W111 P115 F116 R128A105-W111 HydrophobicContact CB-CZ2 3.97Å; A105-P115 HydrophobicContact CB-CB 3.53Å; A105-P115 HydrophobicContact CB-CG 3.94Å; A105-F116 HydrophobicContact CB-CE2 4.47Å; A105-F116 HydrophobicContact CB-CZ 4.5Å; A105-F116 WeakPolarHBondContact O-CE2 3.35Å; A105-R128 HydrophobicContact CB-CB 3.97Å; A105-R128 HydrophobicContact CB-CG 4.06Å
106A98.2Very high98.5Very high20 Ų2065.3 Ų65.317%0.16534%0.344CS..  trans-132.6156.5173.400000109.7E108 D109A106-E108 VanDerWaalsContact C-N 3.26Å; A106-E108 HydrophobicContact CB-CG 3.86Å; A106-E108 VanDerWaalsContact CB-OE2 3.26Å; A106-E108 WeakPolarHBondContact CB-OE2 3.25Å; A106-E108 PolarHBondContact O-N 3.1Å; A106-D109 PolarHBondContact N-OD2 2.9Å; A106-D109 WeakPolarHBondContact O-CB 3.25Å; A106-D109 PolarHBondContact O-N 3.21Å; A106-D109 VanDerWaalsContact O-N 3.15Å
107L98.1Very high98.5Very high72 Ų7265.3 Ų65.338%0.37735%0.348SS..G310 helixtrans-61.9-40.7-176.3-175.867.9000111D109 G110 W111L107-D109 PolarHBondContact O-N 3.21Å; L107-G110 PolarHBondContact O-N 2.96Å; L107-W111 HydrophobicContact CD1-CB 4.15Å; L107-W111 VanDerWaalsContact CD1-O 3.31Å; L107-W111 WeakPolarHBondContact CD1-O 3.44Å; L107-W111 PolarHBondContact O-N 2.77Å
108E98.1Very high98.5Very high160 Ų16057.1 Ų57.175%0.74832%0.317SS*.G310 helixtrans-61.3-15.7176.357.8-91.4-134.800114.6A106 G110A106-E108 VanDerWaalsContact C-N 3.26Å; A106-E108 HydrophobicContact CB-CG 3.86Å; A106-E108 VanDerWaalsContact CB-OE2 3.26Å; A106-E108 WeakPolarHBondContact CB-OE2 3.25Å; A106-E108 PolarHBondContact O-N 3.1Å; E108-G110 PolarHBondContact O-N 3.31Å
109D97.9Very high98.5Very high112 Ų11257.8 Ų57.860%0.59932%0.315SS*.G310 helixtrans-70.2-4.3170.9-60.4-28.8000112.2A106 L107A106-D109 PolarHBondContact N-OD2 2.9Å; A106-D109 WeakPolarHBondContact O-CB 3.25Å; A106-D109 PolarHBondContact O-N 3.21Å; A106-D109 VanDerWaalsContact O-N 3.15Å; L107-D109 PolarHBondContact O-N 3.21Å
110G98.4Very high98.5Very high63 Ų6360.6 Ų60.665%0.64933%0.328SS*.THydrogen-bonded Turntrans102.529-18000000113.9L107 E108L107-G110 PolarHBondContact O-N 2.96Å; E108-G110 PolarHBondContact O-N 3.31Å
111W98.5Very high98.4Very high68 Ų6863.6 Ų63.626%0.25834%0.339SS..  trans-79.9138.1175.5-75.674.4000111.5A105 L107 S113 P115 R128A105-W111 HydrophobicContact CB-CZ2 3.97Å; L107-W111 HydrophobicContact CD1-CB 4.15Å; L107-W111 VanDerWaalsContact CD1-O 3.31Å; L107-W111 WeakPolarHBondContact CD1-O 3.44Å; L107-W111 PolarHBondContact O-N 2.77Å; W111-S113 WeakPolarHBondContact CB-O 3.25Å; W111-S113 PolarHBondContact O-N 3.28Å; W111-P115 HydrophobicContact CD2-CB 3.84Å; W111-P115 HydrophobicContact CE3-CB 4.05Å; W111-P115 HydrophobicContact CG-CB 4.33Å; W111-P115 HydrophobicContact CH2-CB 4.34Å; W111-P115 HydrophobicContact CZ2-CB 4.12Å; W111-P115 HydrophobicContact CZ3-CB 4.3Å; W111-R128 HydrophobicContact CH2-CB 4.23Å; W111-R128 HydrophobicContact CZ2-CB 4.37Å
112D98.3Very high98.3Very high146 Ų14668.4 Ų68.478%0.78136%0.364SS*.SBendtrans-74.1-10.9174.4-59.4-41.8000113.5
113S98Very high98.2Very high18 Ų1871.2 Ų71.213%0.12639%0.394CS..SBendtrans-158.5155.4-178.5540000110.7W111 P115 V119 R121W111-S113 WeakPolarHBondContact CB-O 3.25Å; W111-S113 PolarHBondContact O-N 3.28Å; S113-P115 VanDerWaalsContact O-N 3.17Å; S113-V119 WeakPolarHBondContact OG-CG2 3.2Å; S113-R121 PolarHBondContact OG-NH1 3.46Å; S113-R121 PolarHBondContact OG-NH2 3.05Å
114E98.6Very high98.2Very high105 Ų10571.5 Ų71.549%0.49139%0.394SS..  trans-45.4118.3178.5-72.8-60.7152.400112.9F116 T117E114-F116 VanDerWaalsContact C-N 3.26Å; E114-F116 PolarHBondContact O-N 3.44Å; E114-T117 PolarHBondContact O-N 3.27Å
115P98.6Very high98.2Very high3 Ų372.2 Ų72.22%0.01940%0.395CS..THydrogen-bonded Turntrans-64.4-30.1-168.121.2-32000113.2A105 W111 S113 G127 R128A105-P115 HydrophobicContact CB-CB 3.53Å; A105-P115 HydrophobicContact CB-CG 3.94Å; W111-P115 HydrophobicContact CD2-CB 3.84Å; W111-P115 HydrophobicContact CE3-CB 4.05Å; W111-P115 HydrophobicContact CG-CB 4.33Å; W111-P115 HydrophobicContact CH2-CB 4.34Å; W111-P115 HydrophobicContact CZ2-CB 4.12Å; W111-P115 HydrophobicContact CZ3-CB 4.3Å; S113-P115 VanDerWaalsContact O-N 3.17Å; P115-G127 CarbonylContact O-C 3.47Å; P115-G127 VanDerWaalsContact O-CA 3.29Å; P115-G127 WeakPolarHBondContact O-CA 3.11Å; P115-R128 HydrophobicContact CB-CB 4.22Å; P115-R128 PolarHBondContact O-N 2.86Å
116F98.7Very high98.2Very high18 Ų1875.6 Ų75.68%0.07941%0.408CS..THydrogen-bonded Turntrans-98.112178.7-60.5-77.9000113.3A27 Q29 V31 W34 V102 A105 E114 R128A27-F116 VanDerWaalsContact CA-O 3.26Å; A27-F116 WeakPolarHBondContact CA-O 3.5Å; Q29-F116 HydrophobicContact CB-CD1 4.26Å; Q29-F116 HydrophobicContact CB-CE1 4.23Å; Q29-F116 HydrophobicContact CB-CG 4.48Å; Q29-F116 HydrophobicContact CB-CZ 4.44Å; Q29-F116 HydrophobicContact CG-CB 3.95Å; Q29-F116 HydrophobicContact CG-CD1 3.77Å; Q29-F116 HydrophobicContact CG-CD2 3.83Å; Q29-F116 HydrophobicContact CG-CE1 4.19Å; Q29-F116 HydrophobicContact CG-CE2 4.25Å; Q29-F116 HydrophobicContact CG-CG 3.58Å; Q29-F116 HydrophobicContact CG-CZ 4.42Å; V31-F116 HydrophobicContact CG2-CE1 4.07Å; V31-F116 HydrophobicContact CG2-CZ 3.59Å; W34-F116 HydrophobicContact CH2-CE2 4.49Å; W34-F116 HydrophobicContact CZ3-CE2 4.27Å; W34-F116 HydrophobicContact CZ3-CZ 4.45Å; V102-F116 HydrophobicContact CG2-CE1 4.05Å; A105-F116 HydrophobicContact CB-CE2 4.47Å; A105-F116 HydrophobicContact CB-CZ 4.5Å; A105-F116 WeakPolarHBondContact O-CE2 3.35Å; E114-F116 VanDerWaalsContact C-N 3.26Å; E114-F116 PolarHBondContact O-N 3.44Å; F116-R128 HydrophobicContact CD1-CB 4.26Å; F116-R128 HydrophobicContact CD1-CG 4.41Å; F116-R128 HydrophobicContact CE1-CB 3.97Å; F116-R128 HydrophobicContact CE1-CG 3.66Å; F116-R128 HydrophobicContact CZ-CB 4.36Å; F116-R128 HydrophobicContact CZ-CG 3.98Å
117T98.7Very high98.2Very high82 Ų8274.8 Ų74.850%0.50340%0.402SS..SBendtrans-111.4106.1168.7-58.60000108.2E114 V119E114-T117 PolarHBondContact O-N 3.27Å; T117-V119 HydrophobicContact CG2-CG1 4.34Å; T117-V119 PolarHBondContact O-N 3.49Å
118L98.8Very high98.3Very high24 Ų2474.5 Ų74.513%0.12640%0.396CS..  trans-64.8124179.5-168.183.6000110I19 L22 A23 V26 L125 Y126I19-L118 HydrophobicContact CG2-CD2 4.39Å; L22-L118 HydrophobicContact CB-CD2 4.42Å; L22-L118 HydrophobicContact CD2-CD2 4.38Å; L22-L118 HydrophobicContact CG-CD2 4.18Å; A23-L118 HydrophobicContact CB-CB 3.8Å; A23-L118 HydrophobicContact CB-CD2 3.83Å; A23-L118 HydrophobicContact CB-CG 4.46Å; V26-L118 HydrophobicContact CB-CB 4.31Å; V26-L118 HydrophobicContact CB-CD1 4.5Å; V26-L118 HydrophobicContact CG1-CB 4.17Å; V26-L118 HydrophobicContact CG1-CD1 4.41Å; V26-L118 HydrophobicContact CG2-CD1 4.07Å; L118-L125 HydrophobicContact CD1-CB 4.15Å; L118-L125 HydrophobicContact CD2-CB 4.38Å; L118-L125 HydrophobicContact CG-CB 4.47Å; L118-Y126 VanDerWaalsContact CA-O 3.3Å; L118-Y126 WeakPolarHBondContact CA-O 3.3Å; L118-Y126 WeakPolarHBondContact CD1-O 3.44Å
119V98.4Very high98.3Very high44 Ų4467.1 Ų67.127%0.26736%0.362SS..EExtended strand (participates in β ladder)trans-127.5144.8177.2-64.80000110.6S113 T117 Y126S113-V119 WeakPolarHBondContact OG-CG2 3.2Å; T117-V119 HydrophobicContact CG2-CG1 4.34Å; T117-V119 PolarHBondContact O-N 3.49Å; V119-Y126 PolarHBondContact N-O 3.18Å; V119-Y126 PolarHBondContact O-N 3.44Å
120E98.3Very high98.3Very high116 Ų11663 Ų6354%0.54234%0.342SS..EExtended strand (participates in β ladder)trans-100.6130.7176.2-173.1171.8-17800110.3K124 L125E120-K124 VanDerWaalsContact CA-O 3.32Å; E120-K124 WeakPolarHBondContact CA-O 3.47Å; E120-L125 HydrophobicContact CB-CD2 3.87Å; E120-L125 HydrophobicContact CG-CD2 3.86Å
121R98.1Very high98.3Very high76 Ų7665.4 Ų65.429%0.28734%0.344SS..EExtended strand (participates in β ladder)trans-139.5126171.3-61.2-177.4-70.8-96.64.5109.1S113 G123 K124 Y126S113-R121 PolarHBondContact OG-NH1 3.46Å; S113-R121 PolarHBondContact OG-NH2 3.05Å; R121-G123 VanDerWaalsContact C-N 3.27Å; R121-G123 PolarHBondContact O-N 3.2Å; R121-K124 PolarHBondContact N-O 3.3Å; R121-K124 WeakPolarHBondContact O-CB 3.32Å; R121-K124 PolarHBondContact O-N 3.14Å; R121-Y126 HydrophobicContact CB-CD2 4.19Å; R121-Y126 HydrophobicContact CB-CE2 3.85Å; R121-Y126 HydrophobicContact CG-CD2 4.5Å
122D96.6Very high98.3Very high152 Ų15265.7 Ų65.781%0.81335%0.351SS*.THydrogen-bonded Turntrans50.143.7178.3-51.7-42.6000113.8K124D122-K124 VanDerWaalsContact C-N 3.26Å; D122-K124 PolarHBondContact O-N 3.28Å
123G96.1Very high98.4Very high63 Ų6360.1 Ų60.165%0.64932%0.321SS*.THydrogen-bonded Turntrans72.312.1-179.400000115R121R121-G123 VanDerWaalsContact C-N 3.27Å; R121-G123 PolarHBondContact O-N 3.2Å
124K98.4Very high98.4Very high118 Ų11859.3 Ų59.351%0.51332%0.315SS..EExtended strand (participates in β ladder)trans-112.6134.6177.9-58.6162.7-171.1166.90109.9E120 R121 D122 Y126E120-K124 VanDerWaalsContact CA-O 3.32Å; E120-K124 WeakPolarHBondContact CA-O 3.47Å; R121-K124 PolarHBondContact N-O 3.3Å; R121-K124 WeakPolarHBondContact O-CB 3.32Å; R121-K124 PolarHBondContact O-N 3.14Å; D122-K124 VanDerWaalsContact C-N 3.26Å; D122-K124 PolarHBondContact O-N 3.28Å; K124-Y126 HydrophobicContact CB-CD2 4.17Å; K124-Y126 HydrophobicContact CB-CE2 3.48Å; K124-Y126 VanDerWaalsContact CB-CE2 3.48Å; K124-Y126 HydrophobicContact CD-CE2 4.23Å; K124-Y126 WeakPolarHBondContact CD-OH 3.32Å; K124-Y126 WeakPolarHBondContact O-CD2 3.38Å
125L98.7Very high98.4Very high53 Ų5355.2 Ų55.228%0.27730%0.301SS..EExtended strand (participates in β ladder)trans-96.6106.7179.9-56.2177.2000110I19 L22 L118 E120I19-L125 HydrophobicContact CD1-CD2 4.45Å; I19-L125 HydrophobicContact CG1-CD1 3.98Å; I19-L125 HydrophobicContact CG1-CD2 4.48Å; I19-L125 HydrophobicContact CG2-CD1 4.33Å; I19-L125 HydrophobicContact CG2-CD2 3.87Å; L22-L125 HydrophobicContact CD2-CD1 4.18Å; L118-L125 HydrophobicContact CD1-CB 4.15Å; L118-L125 HydrophobicContact CD2-CB 4.38Å; L118-L125 HydrophobicContact CG-CB 4.47Å; E120-L125 HydrophobicContact CB-CD2 3.87Å; E120-L125 HydrophobicContact CG-CD2 3.86Å
126Y98.8Very high98.4Very high74 Ų7457.7 Ų57.729%0.2932%0.317SS..EExtended strand (participates in β ladder)trans-96.2126.7-177.4-66.9-91.7000111.3L118 V119 R121 K124L118-Y126 VanDerWaalsContact CA-O 3.3Å; L118-Y126 WeakPolarHBondContact CA-O 3.3Å; L118-Y126 WeakPolarHBondContact CD1-O 3.44Å; V119-Y126 PolarHBondContact N-O 3.18Å; V119-Y126 PolarHBondContact O-N 3.44Å; R121-Y126 HydrophobicContact CB-CD2 4.19Å; R121-Y126 HydrophobicContact CB-CE2 3.85Å; R121-Y126 HydrophobicContact CG-CD2 4.5Å; K124-Y126 HydrophobicContact CB-CD2 4.17Å; K124-Y126 HydrophobicContact CB-CE2 3.48Å; K124-Y126 VanDerWaalsContact CB-CE2 3.48Å; K124-Y126 HydrophobicContact CD-CE2 4.23Å; K124-Y126 WeakPolarHBondContact CD-OH 3.32Å; K124-Y126 WeakPolarHBondContact O-CD2 3.38Å
127G98.8Very high98.4Very high4 Ų457.9 Ų57.94%0.04132%0.32CS..SBendtrans169.4147.4172.200000111.4P115 G129 S130P115-G127 CarbonylContact O-C 3.47Å; P115-G127 VanDerWaalsContact O-CA 3.29Å; P115-G127 WeakPolarHBondContact O-CA 3.11Å; G127-G129 PolarHBondContact O-N 2.89Å; G127-S130 WeakPolarHBondContact O-CB 3.36Å; G127-S130 PolarHBondContact O-N 3.41Å; G127-S130 PolarHBondContact O-OG 3.02Å
128R98.8Very high98.4Very high66 Ų6654.1 Ų54.125%0.24930%0.297CS..THydrogen-bonded Turntrans-59.8123.6175.8170.257.278.1-149.40.6109.4V102 Q103 P104 A105 W111 P115 F116V102-R128 HydrophobicContact CB-CG 4.1Å; V102-R128 HydrophobicContact CG2-CG 3.88Å; Q103-R128 WeakPolarHBondContact O-CD 3.38Å; Q103-R128 WeakPolarHBondContact O-CG 3.14Å; Q103-R128 PolarHBondContact O-NE 3.2Å; Q103-R128 VanDerWaalsContact O-NE 3.08Å; P104-R128 PolarHBondContact O-NE 3.27Å; P104-R128 PolarHBondContact O-NH2 2.96Å; A105-R128 HydrophobicContact CB-CB 3.97Å; A105-R128 HydrophobicContact CB-CG 4.06Å; W111-R128 HydrophobicContact CH2-CB 4.23Å; W111-R128 HydrophobicContact CZ2-CB 4.37Å; P115-R128 HydrophobicContact CB-CB 4.22Å; P115-R128 PolarHBondContact O-N 2.86Å; F116-R128 HydrophobicContact CD1-CB 4.26Å; F116-R128 HydrophobicContact CD1-CG 4.41Å; F116-R128 HydrophobicContact CE1-CB 3.97Å; F116-R128 HydrophobicContact CE1-CG 3.66Å; F116-R128 HydrophobicContact CZ-CB 4.36Å; F116-R128 HydrophobicContact CZ-CG 3.98Å
129G98.7Very high98.4Very high4 Ų454.6 Ų54.64%0.04131%0.308CS..THydrogen-bonded Turntrans95.3-10.4-177.200000114.8G127 T131 D132 K134G127-G129 PolarHBondContact O-N 2.89Å; G129-T131 PolarHBondContact O-N 2.87Å; G129-D132 VanDerWaalsContact CA-O 3.31Å; G129-D132 WeakPolarHBondContact CA-O 3.37Å; G129-K134 VanDerWaalsContact O-CB 3.24Å; G129-K134 WeakPolarHBondContact O-CB 3.43Å; G129-K134 PolarHBondContact O-N 3.34Å
130S98.6Very high98.4Very high27 Ų2759.2 Ų59.219%0.18932%0.321CS..Iπ-helixtrans-53.6-47.8-178.151.50000112.9G127 G135G127-S130 WeakPolarHBondContact O-CB 3.36Å; G127-S130 PolarHBondContact O-N 3.41Å; G127-S130 PolarHBondContact O-OG 3.02Å; S130-G135 WeakPolarHBondContact O-CA 3.43Å; S130-G135 PolarHBondContact O-N 3.09Å
131T98.7Very high98.4Very high112 Ų11254.4 Ų54.469%0.68730%0.298SS*.Iπ-helixtrans-100.8-21.9176.8-165.80000114.3G129 P136G129-T131 PolarHBondContact O-N 2.87Å; T131-P136 WeakPolarHBondContact O-CD 3.41Å; T131-P136 WeakPolarHBondContact O-CG 3.3Å
132D98.5Very high98.4Very high74 Ų7451.6 Ų51.640%0.39629%0.289SS..Iπ-helixtrans-13589.3-170.2177.423.3000109.8H99 G129H99-D132 IonicContact CE1-OD1 3.98Å; H99-D132 PolarHBondContact CE1-OD1 2.88Å; H99-D132 IonicContact NE2-OD1 3.57Å; H99-D132 PolarHBondContact NE2-OD1 2.95Å; H99-D132 VanDerWaalsContact NE2-OD1 3.09Å; G129-D132 VanDerWaalsContact CA-O 3.31Å; G129-D132 WeakPolarHBondContact CA-O 3.37Å
133D98.7Very high98.4Very high30 Ų3045.9 Ų45.916%0.1626%0.263CS..Iπ-helixcis-128.919.1-1.1-175.141000111.8G98 H99 G135 P136 V137G98-D133 VanDerWaalsContact CA-OD2 3.3Å; G98-D133 WeakPolarHBondContact CA-OD2 3.4Å; H99-D133 IonicContact CD2-OD2 3.9Å; H99-D133 PolarHBondContact N-OD2 2.9Å; H99-D133 WeakPolarHBondContact NE2-CB 3.1Å; D133-G135 PolarHBondContact O-N 3Å; D133-P136 WeakPolarHBondContact O-CD 3.4Å; D133-P136 VanDerWaalsContact OD1-CB 3.25Å; D133-P136 WeakPolarHBondContact OD1-CB 3.5Å; D133-P136 VanDerWaalsContact OD1-CG 3.25Å; D133-P136 WeakPolarHBondContact OD1-CG 3.41Å; D133-V137 WeakPolarHBondContact O-CG2 3.32Å; D133-V137 PolarHBondContact O-N 2.84Å; D133-V137 VanDerWaalsContact O-N 3.11Å; D133-V137 WeakPolarHBondContact OD2-CG2 3.46Å
134K98.9Very high98.4Very high0 Ų045 Ų450%024%0.243CC..Iπ-helixtrans-67.2-37.3-174.7-63.8176.3173.1176.50112.7L22 W25 V26 I28 S30 V102 G129 A138L22-K134 HydrophobicContact CD1-CB 3.98Å; W25-K134 HydrophobicContact CB-CB 4.5Å; W25-K134 HydrophobicContact CB-CD 4.25Å; W25-K134 HydrophobicContact CE3-CB 4.12Å; W25-K134 HydrophobicContact CE3-CG 4.47Å; W25-K134 WeakPolarHBondContact O-CD 3.39Å; W25-K134 WeakPolarHBondContact O-CE 3.35Å; W25-K134 PolarHBondContact O-NZ 3.08Å; V26-K134 HydrophobicContact CG2-CD 4.37Å; I28-K134 PolarHBondContact O-NZ 2.91Å; S30-K134 VanDerWaalsContact OG-CE 3.25Å; S30-K134 WeakPolarHBondContact OG-CE 3.49Å; S30-K134 PolarHBondContact OG-NZ 3.09Å; S30-K134 VanDerWaalsContact OG-NZ 3.1Å; V102-K134 HydrophobicContact CG1-CD 4.26Å; V102-K134 HydrophobicContact CG1-CG 4.45Å; G129-K134 VanDerWaalsContact O-CB 3.24Å; G129-K134 WeakPolarHBondContact O-CB 3.43Å; G129-K134 PolarHBondContact O-N 3.34Å; K134-A138 WeakPolarHBondContact O-CB 3.43Å; K134-A138 PolarHBondContact O-N 3.2Å
135G98.8Very high98.3Very high19 Ų1940.8 Ų40.820%0.19623%0.226CC..Hα-helixtrans-61.1-56.4176.600000112.5S130 D133 V137 A138 G139S130-G135 WeakPolarHBondContact O-CA 3.43Å; S130-G135 PolarHBondContact O-N 3.09Å; D133-G135 PolarHBondContact O-N 3Å; G135-V137 PolarHBondContact O-N 3.24Å; G135-A138 PolarHBondContact O-N 2.84Å; G135-G139 PolarHBondContact O-N 2.92Å
136P98.9Very high98.1Very high55 Ų5538.3 Ų38.336%0.35721%0.212SC..Hα-helixtrans-58.5-44.9177.1-26.935.1000113.6T131 D133 G139 W140T131-P136 WeakPolarHBondContact O-CD 3.41Å; T131-P136 WeakPolarHBondContact O-CG 3.3Å; D133-P136 WeakPolarHBondContact O-CD 3.4Å; D133-P136 VanDerWaalsContact OD1-CB 3.25Å; D133-P136 WeakPolarHBondContact OD1-CB 3.5Å; D133-P136 VanDerWaalsContact OD1-CG 3.25Å; D133-P136 WeakPolarHBondContact OD1-CG 3.41Å; P136-G139 WeakPolarHBondContact O-CA 3.4Å; P136-G139 PolarHBondContact O-N 2.66Å; P136-G139 VanDerWaalsContact O-N 3.12Å; P136-W140 PolarHBondContact O-N 3.37Å
137V98.8Very high97.9Very high23 Ų2336.5 Ų36.514%0.13921%0.205CC..Hα-helixtrans-63.8-43.9177.7177.30000111.9W25 L100 D133 G135 G139 W140 I141W25-V137 HydrophobicContact CH2-CG1 4.04Å; W25-V137 HydrophobicContact CZ3-CB 4.15Å; W25-V137 HydrophobicContact CZ3-CG1 3.81Å; L100-V137 HydrophobicContact CD2-CB 4.29Å; L100-V137 HydrophobicContact CD2-CG1 4.02Å; D133-V137 WeakPolarHBondContact O-CG2 3.32Å; D133-V137 PolarHBondContact O-N 2.84Å; D133-V137 VanDerWaalsContact O-N 3.11Å; D133-V137 WeakPolarHBondContact OD2-CG2 3.46Å; G135-V137 PolarHBondContact O-N 3.24Å; V137-G139 PolarHBondContact O-N 3.41Å; V137-W140 PolarHBondContact O-N 3.44Å; V137-I141 PolarHBondContact O-N 2.92Å
138A98.5Very high97.7Very high3 Ų340.6 Ų40.63%0.02522%0.224CC..Hα-helixtrans-61.8-36.5173.700000111.3W25 K134 G135 I141 N142W25-A138 HydrophobicContact CE3-CB 4.12Å; W25-A138 HydrophobicContact CZ3-CB 4.2Å; K134-A138 WeakPolarHBondContact O-CB 3.43Å; K134-A138 PolarHBondContact O-N 3.2Å; G135-A138 PolarHBondContact O-N 2.84Å; A138-I141 PolarHBondContact O-N 3.37Å; A138-N142 WeakPolarHBondContact O-CB 3.21Å; A138-N142 PolarHBondContact O-N 3.31Å; A138-N142 PolarHBondContact O-ND2 3.35Å; A138-N142 VanDerWaalsContact O-ND2 3.17Å; A138-N142 PolarHBondContact O-OD1 3.26Å
139G98.5Very high97.4Very high34 Ų3444 Ų4435%0.35124%0.24SC..Hα-helixtrans-57.6-46174.700000112.9G135 P136 V137 I141 N142 A143G135-G139 PolarHBondContact O-N 2.92Å; P136-G139 WeakPolarHBondContact O-CA 3.4Å; P136-G139 PolarHBondContact O-N 2.66Å; P136-G139 VanDerWaalsContact O-N 3.12Å; V137-G139 PolarHBondContact O-N 3.41Å; G139-I141 VanDerWaalsContact C-N 3.34Å; G139-I141 PolarHBondContact O-N 3.1Å; G139-N142 PolarHBondContact O-N 2.89Å; G139-A143 WeakPolarHBondContact O-CB 3.27Å; G139-A143 PolarHBondContact O-N 3.39Å
140W98.4Very high97.2Very high140 Ų14045.4 Ų45.453%0.5325%0.248SC..Hα-helixtrans-57.8-46174.8-75.4119.6000112.4I96 P136 V137 A143 L144I96-W140 HydrophobicContact CD1-CB 4.38Å; I96-W140 HydrophobicContact CD1-CD2 3.96Å; I96-W140 HydrophobicContact CD1-CE3 3.9Å; I96-W140 HydrophobicContact CD1-CG 4.19Å; I96-W140 HydrophobicContact CG2-CB 4.48Å; I96-W140 HydrophobicContact CG2-CD2 4.18Å; I96-W140 HydrophobicContact CG2-CG 3.85Å; P136-W140 PolarHBondContact O-N 3.37Å; V137-W140 PolarHBondContact O-N 3.44Å; W140-A143 PolarHBondContact O-N 2.95Å; W140-L144 WeakPolarHBondContact O-CG 3.13Å; W140-L144 PolarHBondContact O-N 3.01Å; W140-L144 VanDerWaalsContact O-N 3.13Å
141I97.5Very high96.7Very high15 Ų1547.4 Ų47.48%0.07727%0.273CS..Hα-helixtrans-64.8-44.5179.2-65.4168.8000110.8K21 W25 D51 L55 V137 A138 G139 A143 L144 E145K21-I141 VanDerWaalsContact NZ-CG2 3.34Å; W25-I141 HydrophobicContact CH2-CD1 3.55Å; W25-I141 HydrophobicContact CZ2-CD1 3.93Å; D51-I141 HydrophobicContact CB-CD1 3.94Å; D51-I141 HydrophobicContact CB-CG2 3.8Å; L55-I141 HydrophobicContact CD1-CG2 4.23Å; V137-I141 PolarHBondContact O-N 2.92Å; A138-I141 PolarHBondContact O-N 3.37Å; G139-I141 VanDerWaalsContact C-N 3.34Å; G139-I141 PolarHBondContact O-N 3.1Å; I141-A143 VanDerWaalsContact C-N 3.33Å; I141-A143 PolarHBondContact O-N 3.39Å; I141-L144 PolarHBondContact O-N 2.97Å; I141-E145 WeakPolarHBondContact O-CB 3.27Å; I141-E145 PolarHBondContact O-N 3.07Å
142N98.1Very high96Very high17 Ų1744.2 Ų44.29%0.09125%0.25CS..Hα-helixtrans-63.4-39.8179.7-64.4-19.4000111.5Y18 A138 G139 E145 A146Y18-N142 HydrophobicContact CD1-CB 3.85Å; Y18-N142 WeakPolarHBondContact CD1-ND2 3.32Å; Y18-N142 WeakPolarHBondContact CD1-OD1 3.44Å; Y18-N142 HydrophobicContact CD2-CB 4.45Å; Y18-N142 HydrophobicContact CE1-CB 3.68Å; Y18-N142 HydrophobicContact CE2-CB 4.32Å; Y18-N142 HydrophobicContact CG-CB 4.24Å; A138-N142 WeakPolarHBondContact O-CB 3.21Å; A138-N142 PolarHBondContact O-N 3.31Å; A138-N142 PolarHBondContact O-ND2 3.35Å; A138-N142 VanDerWaalsContact O-ND2 3.17Å; A138-N142 PolarHBondContact O-OD1 3.26Å; G139-N142 PolarHBondContact O-N 2.89Å; N142-E145 PolarHBondContact O-N 3.41Å; N142-A146 WeakPolarHBondContact O-CB 3.33Å; N142-A146 PolarHBondContact O-N 3.36Å
143A96.9Very high94.9Very high33 Ų3345.2 Ų45.227%0.27326%0.259SS..Hα-helixtrans-62.6-45.7175.600000111.6G139 W140 I141 E145 A146 Y147G139-A143 WeakPolarHBondContact O-CB 3.27Å; G139-A143 PolarHBondContact O-N 3.39Å; W140-A143 PolarHBondContact O-N 2.95Å; I141-A143 VanDerWaalsContact C-N 3.33Å; I141-A143 PolarHBondContact O-N 3.39Å; A143-E145 PolarHBondContact O-N 3.15Å; A143-A146 PolarHBondContact O-N 3.45Å; A143-Y147 VanDerWaalsContact O-CD2 3.24Å; A143-Y147 WeakPolarHBondContact O-CD2 3.15Å; A143-Y147 PolarHBondContact O-N 3.25Å
144L95.9Very high93.4Very high43 Ų4346.5 Ų46.523%0.22527%0.27CS..Hα-helixtrans-62.3-41.9176.6-68.6170.3000112.1L55 L85 W140 I141 Y147 Q148L55-L144 HydrophobicContact CD1-CB 3.83Å; L55-L144 HydrophobicContact CD1-CD1 4.16Å; L55-L144 HydrophobicContact CD2-CB 4.4Å; L85-L144 HydrophobicContact CD2-CB 4.49Å; L85-L144 HydrophobicContact CD2-CD1 4.07Å; L85-L144 HydrophobicContact CD2-CD2 4.2Å; L85-L144 HydrophobicContact CD2-CG 4.5Å; W140-L144 WeakPolarHBondContact O-CG 3.13Å; W140-L144 PolarHBondContact O-N 3.01Å; W140-L144 VanDerWaalsContact O-N 3.13Å; I141-L144 PolarHBondContact O-N 2.97Å; L144-Y147 PolarHBondContact O-N 2.95Å; L144-Q148 PolarHBondContact O-N 3Å
145E96Very high91.6Very high31 Ų3150 Ų5015%0.14529%0.292CS..Hα-helixtrans-60.7-45.2174.5-173.1-155.7-126.700111.4R17 Y18 L55 I141 N142 A143 Y147 Q148 K149R17-E145 IonicContact CZ-OE1 2.69Å; R17-E145 IonicContact CZ-OE2 3.63Å; R17-E145 IonicContact NH1-OE1 3.28Å; R17-E145 PolarHBondContact NH1-OE1 3.19Å; R17-E145 IonicContact NH1-OE2 3.37Å; R17-E145 PolarHBondContact NH1-OE2 3.08Å; R17-E145 VanDerWaalsContact NH1-OE2 3.17Å; R17-E145 IonicContact NH2-OE1 3.84Å; R17-E145 IonicContact NH2-OE2 3.63Å; R17-E145 PolarHBondContact NH2-OE2 2.8Å; Y18-E145 VanDerWaalsContact CE1-OE2 3.32Å; Y18-E145 WeakPolarHBondContact CE1-OE2 3.35Å; Y18-E145 PolarHBondContact OH-OE2 3.19Å; L55-E145 HydrophobicContact CD2-CB 3.86Å; L55-E145 HydrophobicContact CD2-CG 4.44Å; I141-E145 WeakPolarHBondContact O-CB 3.27Å; I141-E145 PolarHBondContact O-N 3.07Å; N142-E145 PolarHBondContact O-N 3.41Å; A143-E145 PolarHBondContact O-N 3.15Å; E145-Y147 VanDerWaalsContact C-N 3.31Å; E145-Y147 PolarHBondContact O-N 3.18Å; E145-Q148 PolarHBondContact O-N 2.88Å; E145-Q148 VanDerWaalsContact O-N 3.09Å; E145-K149 HydrophobicContact CG-CG 4.06Å; E145-K149 WeakPolarHBondContact O-CB 3.33Å; E145-K149 WeakPolarHBondContact O-CG 3.29Å; E145-K149 PolarHBondContact O-N 2.88Å
146A96.1Very high89.2Confident0 Ų053.1 Ų53.10%031%0.309CS..Hα-helixtrans-61-37.9-179.500000112.3L7 Y10 I11 N142 A143 K149 T150L7-A146 VanDerWaalsContact CD1-C 3.48Å; L7-A146 HydrophobicContact CD1-CB 3.55Å; L7-A146 HydrophobicContact CG-CB 4.44Å; Y10-A146 HydrophobicContact CD1-CB 3.63Å; Y10-A146 HydrophobicContact CE1-CB 4.03Å; I11-A146 HydrophobicContact CD1-CB 4.33Å; I11-A146 HydrophobicContact CG1-CB 3.92Å; N142-A146 WeakPolarHBondContact O-CB 3.33Å; N142-A146 PolarHBondContact O-N 3.36Å; A143-A146 PolarHBondContact O-N 3.45Å; A146-K149 PolarHBondContact O-N 2.86Å; A146-T150 WeakPolarHBondContact O-CB 3.34Å; A146-T150 VanDerWaalsContact O-CG2 3.32Å; A146-T150 WeakPolarHBondContact O-CG2 3.16Å; A146-T150 PolarHBondContact O-N 2.61Å; A146-T150 PolarHBondContact O-OG1 3.36Å
147Y94.3Very high86.5Confident36 Ų3662.1 Ų62.114%0.14134%0.336CS..Hα-helixtrans-58.1-50.9171.3-84-76.5000111L7 A143 L144 E145 K149 T150 G151 Q152 P155L7-Y147 HydrophobicContact CD1-CD1 4.17Å; L7-Y147 HydrophobicContact CD1-CD2 4.01Å; L7-Y147 HydrophobicContact CD1-CE1 4.37Å; L7-Y147 HydrophobicContact CD1-CE2 4.22Å; L7-Y147 HydrophobicContact CD1-CG 3.96Å; L7-Y147 HydrophobicContact CD2-CD2 4.34Å; L7-Y147 HydrophobicContact CD2-CE1 4.14Å; L7-Y147 HydrophobicContact CD2-CE2 3.71Å; A143-Y147 VanDerWaalsContact O-CD2 3.24Å; A143-Y147 WeakPolarHBondContact O-CD2 3.15Å; A143-Y147 PolarHBondContact O-N 3.25Å; L144-Y147 PolarHBondContact O-N 2.95Å; E145-Y147 VanDerWaalsContact C-N 3.31Å; E145-Y147 PolarHBondContact O-N 3.18Å; Y147-K149 PolarHBondContact O-N 2.82Å; Y147-T150 PolarHBondContact O-N 3.5Å; Y147-T150 PolarHBondContact O-OG1 2.63Å; Y147-G151 PolarHBondContact O-N 2.91Å; Y147-Q152 CarbonylContact C-O 3.44Å; Y147-Q152 VanDerWaalsContact C-O 3.3Å; Y147-Q152 HydrophobicContact CD1-CB 3.86Å; Y147-Q152 CarbonylContact O-C 3.6Å; Y147-Q152 PolarHBondContact O-N 3.16Å; Y147-P155 HydrophobicContact CE1-CG 3.94Å
148Q93.1Very high85.9Confident91 Ų9164.1 Ų64.143%0.42535%0.346SS..Hα-helixtrans-62.2-42.7-179.1-66-175.9-11.800112.7L55 L144 E145 T150 G151L55-Q148 PolarHBondContact O-NE2 2.86Å; L144-Q148 PolarHBondContact O-N 3Å; E145-Q148 PolarHBondContact O-N 2.88Å; E145-Q148 VanDerWaalsContact O-N 3.09Å; Q148-T150 VanDerWaalsContact C-N 3.33Å; Q148-T150 PolarHBondContact O-N 2.92Å; Q148-G151 PolarHBondContact O-N 3.22Å
149K94.6Very high85.2Confident138 Ų13867.3 Ų67.360%0.636%0.363SS*.Hα-helixtrans-72.8-25.3-176.7-67.8-70.5-176.9-173.40113.5Y10 E145 A146 Y147 G151Y10-K149 HydrophobicContact CE1-CB 4Å; Y10-K149 HydrophobicContact CE1-CG 4.46Å; Y10-K149 HydrophobicContact CE2-CB 3.76Å; Y10-K149 VanDerWaalsContact CZ-CB 3.46Å; Y10-K149 WeakPolarHBondContact OH-CB 3.43Å; Y10-K149 WeakPolarHBondContact OH-CG 3.4Å; E145-K149 HydrophobicContact CG-CG 4.06Å; E145-K149 WeakPolarHBondContact O-CB 3.33Å; E145-K149 WeakPolarHBondContact O-CG 3.29Å; E145-K149 PolarHBondContact O-N 2.88Å; A146-K149 PolarHBondContact O-N 2.86Å; Y147-K149 PolarHBondContact O-N 2.82Å; K149-G151 VanDerWaalsContact C-N 3.28Å
150T93.6Very high84.5Confident32 Ų3269.1 Ų69.120%0.19636%0.363CS..THydrogen-bonded Turntrans-886173.158.80000113.2T6 Y10 A146 Y147 Q148 Q152T6-T150 HydrophobicContact CG2-CG2 3.98Å; Y10-T150 HydrophobicContact CD2-CG2 4.07Å; Y10-T150 HydrophobicContact CG-CG2 3.8Å; A146-T150 WeakPolarHBondContact O-CB 3.34Å; A146-T150 VanDerWaalsContact O-CG2 3.32Å; A146-T150 WeakPolarHBondContact O-CG2 3.16Å; A146-T150 PolarHBondContact O-N 2.61Å; A146-T150 PolarHBondContact O-OG1 3.36Å; Y147-T150 PolarHBondContact O-N 3.5Å; Y147-T150 PolarHBondContact O-OG1 2.63Å; Q148-T150 VanDerWaalsContact C-N 3.33Å; Q148-T150 PolarHBondContact O-N 2.92Å; T150-Q152 PolarHBondContact O-N 2.9Å; T150-Q152 PolarHBondContact OG1-NE2 2.82Å
151G87.6Confident83.7Confident70 Ų7064.9 Ų64.972%0.72235%0.353SS*.THydrogen-bonded Turntrans68.613.9-177.600000113.4Y147 Q148 K149Y147-G151 PolarHBondContact O-N 2.91Å; Q148-G151 PolarHBondContact O-N 3.22Å; K149-G151 VanDerWaalsContact C-N 3.28Å
152Q83.6Confident82.8Confident44 Ų4468.1 Ų68.121%0.20637%0.371CS..PPolyproline II helixtrans-90.5136.5179.1-65.4-171.768.300110.3A3 Y147 T150 C154A3-Q152 PolarHBondContact O-NE2 3.37Å; A3-Q152 PolarHBondContact O-OE1 3.2Å; Y147-Q152 CarbonylContact C-O 3.44Å; Y147-Q152 VanDerWaalsContact C-O 3.3Å; Y147-Q152 HydrophobicContact CD1-CB 3.86Å; Y147-Q152 CarbonylContact O-C 3.6Å; Y147-Q152 PolarHBondContact O-N 3.16Å; T150-Q152 PolarHBondContact O-N 2.9Å; T150-Q152 PolarHBondContact OG1-NE2 2.82Å; Q152-C154 PolarHBondContact O-N 3Å
153V75.3Confident81.8Confident95 Ų9571.5 Ų71.558%0.57639%0.389SS*.PPolyproline II helixtrans-77.6126.1172.8176.80000108
154C67.1Low80.7Confident58 Ų5874.2 Ų74.239%0.39240%0.398SS..SBendtrans-48.5129.9174-173.10000109.3K91 Q152K91-C154 PolarHBondContact NZ-O 2.8Å; K91-C154 VanDerWaalsContact NZ-O 3.07Å; Q152-C154 PolarHBondContact O-N 3Å
155P62.3Low79.5Confident72 Ų7276.6 Ų76.647%0.46841%0.411SS..PPolyproline II helixtrans-51124.2-146-30.934.7000113.6Y147Y147-P155 HydrophobicContact CE1-CG 3.94Å
156P48.1Very low78.1Confident85 Ų8580.4 Ų80.455%0.55243%0.433SS*.PPolyproline II helixtrans-74.2129.1158.230-27.1000108.2
157R42.1Very low76.5Confident244 Ų24487.7 Ų87.792%0.92147%0.473SS*.  trans25.50172.1-69.8-172.5-172.3-1681.5118.2Q90Q90-R157 PolarHBondContact O-NE 3.41Å; Q90-R157 PolarHBondContact O-NH2 2.96Å

Retrieved 157 of 157 residues in 1254.5 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).