A0A077Z4P3_TRITR Loading...

F-box-like domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z4P3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 432 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
1M40.9Very low74.3Confident246 Ų246103.8 Ų103.8100%1.21260%0.597SS**  073.70-68.1178.3-145.800109.6A3M1-A3 VanDerWaalsContact C-N 3.34Å; M1-A3 PolarHBondContact O-N 2.81Å; M1-A3 VanDerWaalsContact O-N 3.11Å
2A51.1Low75.8Confident84 Ų8499.8 Ų99.869%0.69458%0.575SS**  trans-76.796.5163.800000105.8H4A2-H4 PolarHBondContact O-N 2.85Å
3A55.2Low77.2Confident100 Ų10092.2 Ų92.283%0.82653%0.531SS*.  trans-61.693.8165.400000105.9M1 I5M1-A3 VanDerWaalsContact C-N 3.34Å; M1-A3 PolarHBondContact O-N 2.81Å; M1-A3 VanDerWaalsContact O-N 3.11Å; A3-I5 PolarHBondContact O-N 3.11Å; A3-I5 VanDerWaalsContact O-N 3.12Å
4H70.3Confident78.4Confident114 Ų11486.6 Ų86.653%0.52850%0.5SS..  trans-56.3120.4-173.1-100.6-95.9000107.9A2 D6 V7A2-H4 PolarHBondContact O-N 2.85Å; H4-D6 HydrophobicContact CB-CB 4.18Å; H4-D6 IonicContact CE1-OD2 3.8Å; H4-D6 IonicContact CG-OD2 3.81Å; H4-D6 IonicContact ND1-OD2 2.85Å; H4-D6 PolarHBondContact ND1-OD2 3.31Å; H4-D6 PolarHBondContact O-N 3.25Å; H4-V7 HydrophobicContact CB-CG2 4.13Å; H4-V7 PolarHBondContact O-N 2.69Å
5I76.7Confident79.4Confident73 Ų7392.6 Ų92.637%0.37451%0.511SS..G310 helixtrans-49.2-22.9168.3-168.7166000111.6A3 V7 L8 L13 W35A3-I5 PolarHBondContact O-N 3.11Å; A3-I5 VanDerWaalsContact O-N 3.12Å; I5-V7 VanDerWaalsContact C-N 3.26Å; I5-V7 PolarHBondContact O-N 2.93Å; I5-L8 HydrophobicContact CG1-CD1 3.96Å; I5-L8 WeakPolarHBondContact O-CB 3.44Å; I5-L8 WeakPolarHBondContact O-CG 3.4Å; I5-L8 PolarHBondContact O-N 3.12Å; I5-L13 HydrophobicContact CD1-CD2 4.41Å; I5-L13 HydrophobicContact CG1-CD2 3.84Å; I5-W35 HydrophobicContact CD1-CH2 4.13Å; I5-W35 HydrophobicContact CD1-CZ2 3.92Å; I5-W35 HydrophobicContact CG1-CZ2 4.25Å; I5-W35 HydrophobicContact CG2-CZ2 3.92Å
6D74.7Confident80.3Confident75 Ų7591.4 Ų91.440%0.40150%0.503SS..G310 helixtrans-64.2-19.2173.8-55.4-53.2000114.9H4 L8 R34H4-D6 HydrophobicContact CB-CB 4.18Å; H4-D6 IonicContact CE1-OD2 3.8Å; H4-D6 IonicContact CG-OD2 3.81Å; H4-D6 IonicContact ND1-OD2 2.85Å; H4-D6 PolarHBondContact ND1-OD2 3.31Å; H4-D6 PolarHBondContact O-N 3.25Å; D6-L8 VanDerWaalsContact C-N 3.33Å; D6-R34 PolarHBondContact O-NH1 2.86Å
7V85.5Confident81.1Confident125 Ų12586.3 Ų86.376%0.75847%0.474SS*.G310 helixtrans-81.6-16.6177.6-1740000111.7H4 I5H4-V7 HydrophobicContact CB-CG2 4.13Å; H4-V7 PolarHBondContact O-N 2.69Å; I5-V7 VanDerWaalsContact C-N 3.26Å; I5-V7 PolarHBondContact O-N 2.93Å
8L87.9Confident81.8Confident62 Ų6286.6 Ų86.633%0.32547%0.472SS..SBendtrans-65.8138.3179.6-58.5180000110.9I5 D6 V12 L13 I16 R34I5-L8 HydrophobicContact CG1-CD1 3.96Å; I5-L8 WeakPolarHBondContact O-CB 3.44Å; I5-L8 WeakPolarHBondContact O-CG 3.4Å; I5-L8 PolarHBondContact O-N 3.12Å; D6-L8 VanDerWaalsContact C-N 3.33Å; L8-V12 HydrophobicContact CB-CB 4.44Å; L8-V12 HydrophobicContact CB-CG1 4.26Å; L8-V12 HydrophobicContact CD1-CG1 4.17Å; L8-V12 HydrophobicContact CD2-CG1 4.17Å; L8-V12 HydrophobicContact CG-CG1 4.44Å; L8-L13 HydrophobicContact CB-CD2 4Å; L8-L13 HydrophobicContact CB-CG 3.91Å; L8-L13 HydrophobicContact CD1-CD2 3.97Å; L8-I16 HydrophobicContact CD1-CD1 3.73Å; L8-R34 PolarHBondContact O-NH2 3.38Å
9S91.3Very high82.3Confident59 Ų5990.4 Ų90.441%0.41349%0.486SS..  trans-61.5157.5172.458.70000111.7D11 V12 L13S9-D11 VanDerWaalsContact C-N 3.27Å; S9-D11 PolarHBondContact O-N 3.31Å; S9-V12 PolarHBondContact O-N 3.48Å; S9-V12 VanDerWaalsContact O-N 3.16Å; S9-V12 WeakPolarHBondContact OG-CG2 3.22Å; S9-V12 PolarHBondContact OG-N 3.16Å; S9-L13 PolarHBondContact O-N 3.07Å
10E91.7Very high82.8Confident86 Ų8688.8 Ų88.840%0.40248%0.477SS..Hα-helixtrans-53.4-43.9177.3-57.7-164152.600112.2V12 L13 C14 L38 F42E10-V12 PolarHBondContact O-N 3.28Å; E10-L13 PolarHBondContact O-N 3.26Å; E10-C14 WeakPolarHBondContact O-CB 3.38Å; E10-C14 PolarHBondContact O-N 3.37Å; E10-C14 PolarHBondContact O-SG 2.74Å; E10-L38 HydrophobicContact CB-CD2 3.7Å; E10-L38 HydrophobicContact CG-CD2 3.71Å; E10-F42 WeakPolarHBondContact OE2-CE2 3.43Å
11D92Very high83.3Confident118 Ų11886 Ų8663%0.63146%0.463SS*.Hα-helixtrans-61.1-42.3179.8-62.3-38.8000113S9 C14 R15S9-D11 VanDerWaalsContact C-N 3.27Å; S9-D11 PolarHBondContact O-N 3.31Å; D11-C14 PolarHBondContact O-N 3.03Å; D11-R15 WeakPolarHBondContact O-CG 3.3Å; D11-R15 PolarHBondContact O-N 3.42Å
12V92.9Very high85.7Confident56 Ų5674.4 Ų74.434%0.33941%0.406SS..Hα-helixtrans-67.7-42.7178.5173.90000110.4L8 S9 E10 R15 I16L8-V12 HydrophobicContact CB-CB 4.44Å; L8-V12 HydrophobicContact CB-CG1 4.26Å; L8-V12 HydrophobicContact CD1-CG1 4.17Å; L8-V12 HydrophobicContact CD2-CG1 4.17Å; L8-V12 HydrophobicContact CG-CG1 4.44Å; S9-V12 PolarHBondContact O-N 3.48Å; S9-V12 VanDerWaalsContact O-N 3.16Å; S9-V12 WeakPolarHBondContact OG-CG2 3.22Å; S9-V12 PolarHBondContact OG-N 3.16Å; E10-V12 PolarHBondContact O-N 3.28Å; V12-R15 PolarHBondContact O-N 3.49Å; V12-I16 HydrophobicContact CG1-CD1 3.95Å; V12-I16 VanDerWaalsContact O-CG1 3.3Å; V12-I16 WeakPolarHBondContact O-CG1 3.36Å; V12-I16 PolarHBondContact O-N 2.89Å
13L93.1Very high87.6Confident0 Ų071.8 Ų71.80%038%0.38CS..Hα-helixtrans-61.9-45.5175.8-72.7173.2000111.5I5 L8 S9 E10 R15 I16 F17 L38I5-L13 HydrophobicContact CD1-CD2 4.41Å; I5-L13 HydrophobicContact CG1-CD2 3.84Å; L8-L13 HydrophobicContact CB-CD2 4Å; L8-L13 HydrophobicContact CB-CG 3.91Å; L8-L13 HydrophobicContact CD1-CD2 3.97Å; S9-L13 PolarHBondContact O-N 3.07Å; E10-L13 PolarHBondContact O-N 3.26Å; L13-R15 PolarHBondContact O-N 3.4Å; L13-I16 PolarHBondContact O-N 3.04Å; L13-F17 HydrophobicContact CB-CD2 4.34Å; L13-F17 HydrophobicContact CB-CE2 3.96Å; L13-F17 HydrophobicContact CD2-CE2 4.47Å; L13-F17 HydrophobicContact CD2-CZ 4.41Å; L13-F17 WeakPolarHBondContact O-CD2 3.48Å; L13-F17 VanDerWaalsContact O-CG 3.32Å; L13-F17 WeakPolarHBondContact O-CG 3.5Å; L13-F17 PolarHBondContact O-N 3.23Å; L13-L38 HydrophobicContact CB-CD1 4.05Å; L13-L38 HydrophobicContact CD1-CD1 3.76Å
14C94.2Very high89.5Confident14 Ų1469 Ų6910%0.09535%0.351CS..Hα-helixtrans-57.6-47.1176.3-75.90000111.6E10 D11 I16 F17 E18 L43E10-C14 WeakPolarHBondContact O-CB 3.38Å; E10-C14 PolarHBondContact O-N 3.37Å; E10-C14 PolarHBondContact O-SG 2.74Å; D11-C14 PolarHBondContact O-N 3.03Å; C14-I16 VanDerWaalsContact C-N 3.3Å; C14-I16 PolarHBondContact O-N 3.43Å; C14-F17 PolarHBondContact O-N 3.07Å; C14-E18 WeakPolarHBondContact O-CB 3.46Å; C14-E18 VanDerWaalsContact O-CG 3.31Å; C14-E18 WeakPolarHBondContact O-CG 3.37Å; C14-E18 PolarHBondContact O-N 3.41Å; C14-L43 HydrophobicContact CB-CD2 4Å
15R93.5Very high90.7Very high177 Ų17764 Ų6467%0.66833%0.328SS*.Hα-helixtrans-61.4-36176.9-73.2177.9-174.9177.23.9113.4D11 V12 L13D11-R15 WeakPolarHBondContact O-CG 3.3Å; D11-R15 PolarHBondContact O-N 3.42Å; V12-R15 PolarHBondContact O-N 3.49Å; L13-R15 PolarHBondContact O-N 3.4Å
16I93.6Very high91.5Very high74 Ų7461.5 Ų61.538%0.37932%0.315SS..Hα-helixtrans-67.3-49.5175-68.4165.5000109.8L8 V12 L13 C14 E18 Q19L8-I16 HydrophobicContact CD1-CD1 3.73Å; V12-I16 HydrophobicContact CG1-CD1 3.95Å; V12-I16 VanDerWaalsContact O-CG1 3.3Å; V12-I16 WeakPolarHBondContact O-CG1 3.36Å; V12-I16 PolarHBondContact O-N 2.89Å; L13-I16 PolarHBondContact O-N 3.04Å; C14-I16 VanDerWaalsContact C-N 3.3Å; C14-I16 PolarHBondContact O-N 3.43Å; I16-E18 VanDerWaalsContact C-N 3.32Å; I16-E18 PolarHBondContact O-N 3.08Å; I16-Q19 PolarHBondContact O-N 3.08Å
17F94.9Very high92.4Very high4 Ų461.6 Ų61.62%0.01832%0.321CS..Hα-helixtrans-64-35.1-178.8-65.4-41.9000112.6L13 C14 Q19 L20 W25 C28 W35 F39 L43L13-F17 HydrophobicContact CB-CD2 4.34Å; L13-F17 HydrophobicContact CB-CE2 3.96Å; L13-F17 HydrophobicContact CD2-CE2 4.47Å; L13-F17 HydrophobicContact CD2-CZ 4.41Å; L13-F17 WeakPolarHBondContact O-CD2 3.48Å; L13-F17 VanDerWaalsContact O-CG 3.32Å; L13-F17 WeakPolarHBondContact O-CG 3.5Å; L13-F17 PolarHBondContact O-N 3.23Å; C14-F17 PolarHBondContact O-N 3.07Å; F17-Q19 PolarHBondContact O-N 2.9Å; F17-Q19 VanDerWaalsContact O-N 3.12Å; F17-L20 HydrophobicContact CD1-CD1 3.91Å; F17-L20 WeakPolarHBondContact O-CB 3.11Å; F17-L20 PolarHBondContact O-N 3.21Å; F17-W25 PolarHBondContact O-NE1 3.26Å; F17-C28 HydrophobicContact CD1-CB 4.36Å; F17-C28 HydrophobicContact CE1-CB 4.02Å; F17-W35 HydrophobicContact CE1-CD2 4.47Å; F17-W35 HydrophobicContact CE1-CE3 4.27Å; F17-W35 HydrophobicContact CE1-CZ3 4.38Å; F17-W35 HydrophobicContact CE2-CD2 4.38Å; F17-W35 HydrophobicContact CE2-CG 4.24Å; F17-W35 AromaticContact CZ-CD2 3.62Å; F17-W35 HydrophobicContact CZ-CD2 3.62Å; F17-W35 AromaticContact CZ-CE2 3.84Å; F17-W35 AromaticContact CZ-CE3 3.85Å; F17-W35 HydrophobicContact CZ-CE3 3.85Å; F17-W35 AromaticContact CZ-CG 3.96Å; F17-W35 HydrophobicContact CZ-CG 3.96Å; F17-W35 HydrophobicContact CZ-CH2 4.47Å; F17-W35 HydrophobicContact CZ-CZ2 4.27Å; F17-W35 HydrophobicContact CZ-CZ3 4.27Å; F17-F39 HydrophobicContact CB-CE1 4.18Å; F17-F39 HydrophobicContact CB-CZ 3.8Å; F17-F39 HydrophobicContact CD1-CE2 4.35Å; F17-F39 AromaticContact CD1-CZ 3.95Å; F17-F39 HydrophobicContact CD1-CZ 3.95Å; F17-F39 AromaticContact CD2-CE2 3.91Å; F17-F39 HydrophobicContact CD2-CE2 3.91Å; F17-F39 AromaticContact CD2-CZ 3.87Å; F17-F39 HydrophobicContact CD2-CZ 3.87Å; F17-F39 HydrophobicContact CE1-CE2 4.5Å; F17-F39 HydrophobicContact CE2-CE2 4.06Å; F17-F39 HydrophobicContact CE2-CZ 4.43Å; F17-F39 HydrophobicContact CG-CE1 4.44Å; F17-F39 HydrophobicContact CG-CE2 4.07Å; F17-F39 AromaticContact CG-CZ 3.61Å; F17-F39 HydrophobicContact CG-CZ 3.61Å; F17-F39 HydrophobicContact CZ-CE2 4.36Å; F17-L43 HydrophobicContact CB-CD1 3.66Å; F17-L43 HydrophobicContact CD2-CD1 3.89Å; F17-L43 HydrophobicContact CG-CD1 4.2Å
18E92.9Very high92.9Very high91 Ų9156.6 Ų56.643%0.42529%0.292SS..Hα-helixtrans-56.6-26.2175.3-79.6173.4-17900114C14 I16 L20 L43C14-E18 WeakPolarHBondContact O-CB 3.46Å; C14-E18 VanDerWaalsContact O-CG 3.31Å; C14-E18 WeakPolarHBondContact O-CG 3.37Å; C14-E18 PolarHBondContact O-N 3.41Å; I16-E18 VanDerWaalsContact C-N 3.32Å; I16-E18 PolarHBondContact O-N 3.08Å; E18-L20 VanDerWaalsContact C-N 3.3Å; E18-L43 HydrophobicContact CG-CD2 3.69Å
19Q92Very high93.1Very high159 Ų15953.9 Ų53.974%0.74328%0.278SS*.THydrogen-bonded Turntrans-82-9.6177.5-54.9-53.5-53.500113.3I16 F17I16-Q19 PolarHBondContact O-N 3.08Å; F17-Q19 PolarHBondContact O-N 2.9Å; F17-Q19 VanDerWaalsContact O-N 3.12Å
20L92.6Very high93.3Very high58 Ų5855 Ų5530%0.30429%0.291SS..SBendtrans-89.9149-178.2-58-179.5000111.3F17 E18 D24 W25F17-L20 HydrophobicContact CD1-CD1 3.91Å; F17-L20 WeakPolarHBondContact O-CB 3.11Å; F17-L20 PolarHBondContact O-N 3.21Å; E18-L20 VanDerWaalsContact C-N 3.3Å; L20-D24 HydrophobicContact CB-CB 4.02Å; L20-D24 HydrophobicContact CD1-CB 4.26Å; L20-W25 PolarHBondContact O-NE1 3.4Å
21P91.9Very high93.3Very high30 Ų3054.1 Ų54.120%0.19530%0.298CS..  trans-73.6163.2172.637.4-40.1000111E23 D24 W25 H55 R57P21-E23 VanDerWaalsContact C-N 3.27Å; P21-E23 VanDerWaalsContact CB-OE2 3.3Å; P21-E23 WeakPolarHBondContact CB-OE2 3.22Å; P21-E23 PolarHBondContact O-N 3.19Å; P21-D24 VanDerWaalsContact CD-OD2 3.25Å; P21-D24 WeakPolarHBondContact CD-OD2 3.31Å; P21-D24 HydrophobicContact CG-CB 4.37Å; P21-D24 WeakPolarHBondContact CG-OD2 3.43Å; P21-D24 WeakPolarHBondContact O-CB 3.22Å; P21-D24 PolarHBondContact O-N 3.35Å; P21-W25 VanDerWaalsContact O-CD1 3.31Å; P21-W25 PolarHBondContact O-N 3.5Å; P21-W25 VanDerWaalsContact O-N 3.12Å; P21-H55 WeakPolarHBondContact CA-O 3.32Å; P21-R57 HydrophobicContact CG-CB 4.49Å
22F92.7Very high93.3Very high4 Ų450.8 Ų50.82%0.01828%0.284CS..Hα-helixtrans-67.4-22.1-170.4-73.3-8.8000115D24 W25 L26 W44 V47 L50 H55 F56 V75F22-D24 VanDerWaalsContact C-N 3.25Å; F22-D24 PolarHBondContact O-N 3.03Å; F22-W25 AromaticContact CD1-CD2 3.75Å; F22-W25 HydrophobicContact CD1-CD2 3.75Å; F22-W25 AromaticContact CD1-CE2 3.97Å; F22-W25 HydrophobicContact CD1-CE3 4.09Å; F22-W25 AromaticContact CD1-CG 3.98Å; F22-W25 HydrophobicContact CD1-CG 3.98Å; F22-W25 HydrophobicContact CD1-CZ2 4.46Å; F22-W25 AromaticContact CE1-CD2 3.97Å; F22-W25 HydrophobicContact CE1-CD2 3.97Å; F22-W25 AromaticContact CE1-CE2 3.95Å; F22-W25 HydrophobicContact CE1-CE3 4.03Å; F22-W25 HydrophobicContact CE1-CH2 4.03Å; F22-W25 AromaticContact CE1-CZ2 3.98Å; F22-W25 HydrophobicContact CE1-CZ2 3.98Å; F22-W25 HydrophobicContact CE1-CZ3 4.04Å; F22-W25 PolarHBondContact O-N 3.47Å; F22-L26 WeakPolarHBondContact O-CG 3.27Å; F22-L26 PolarHBondContact O-N 3.07Å; F22-L26 VanDerWaalsContact O-N 3.07Å; F22-W44 HydrophobicContact CD1-CZ3 4.33Å; F22-W44 HydrophobicContact CE1-CZ3 4.41Å; F22-W44 HydrophobicContact CG-CZ3 4.4Å; F22-V47 HydrophobicContact CE1-CG2 4.27Å; F22-V47 HydrophobicContact CE2-CG1 4.09Å; F22-V47 HydrophobicContact CZ-CG1 3.79Å; F22-V47 HydrophobicContact CZ-CG2 3.8Å; F22-L50 HydrophobicContact CD2-CD1 4.04Å; F22-L50 HydrophobicContact CE2-CD1 3.52Å; F22-H55 HydrophobicContact CD1-CB 4.29Å; F22-H55 HydrophobicContact CD2-CB 3.57Å; F22-H55 HydrophobicContact CE1-CB 4.17Å; F22-H55 AromaticContact CE1-CD2 3.93Å; F22-H55 HydrophobicContact CE2-CB 3.44Å; F22-H55 VanDerWaalsContact CE2-CB 3.44Å; F22-H55 AromaticContact CE2-CG 3.59Å; F22-H55 HydrophobicContact CG-CB 4.01Å; F22-H55 HydrophobicContact CZ-CB 3.76Å; F22-H55 AromaticContact CZ-CD2 3.5Å; F22-H55 VanDerWaalsContact CZ-CD2 3.5Å; F22-H55 WeakPolarHBondContact CZ-CD2 3.31Å; F22-H55 AromaticContact CZ-CG 3.57Å; F22-H55 PolarHBondContact N-O 2.99Å; F22-F56 HydrophobicContact CD2-CE2 4.39Å; F22-F56 HydrophobicContact CD2-CZ 4.33Å; F22-V75 HydrophobicContact CB-CG2 3.93Å; F22-V75 HydrophobicContact CD2-CG1 3.7Å; F22-V75 HydrophobicContact CD2-CG2 4.26Å; F22-V75 HydrophobicContact CE2-CG1 4.13Å
23E90.9Very high93.3Very high28 Ų2858 Ų5813%0.13131%0.305CS..Hα-helixtrans-56-44.7167.8-62.483.4166.700111P21 S27 R57 L71P21-E23 VanDerWaalsContact C-N 3.27Å; P21-E23 VanDerWaalsContact CB-OE2 3.3Å; P21-E23 WeakPolarHBondContact CB-OE2 3.22Å; P21-E23 PolarHBondContact O-N 3.19Å; E23-S27 PolarHBondContact O-N 3.21Å; E23-S27 PolarHBondContact O-OG 3.2Å; E23-R57 PolarHBondContact OE1-N 3.32Å; E23-R57 PolarHBondContact OE2-N 3.2Å; E23-L71 HydrophobicContact CG-CD1 4.02Å; E23-L71 HydrophobicContact CG-CD2 3.53Å; E23-L71 HydrophobicContact CG-CG 4.42Å
24D93.5Very high93.4Very high42 Ų4261.9 Ų61.923%0.22532%0.319CS..Hα-helixtrans-79-30.4-177.6-63.7-33.5000110.2L20 P21 F22 S27 C28 R57L20-D24 HydrophobicContact CB-CB 4.02Å; L20-D24 HydrophobicContact CD1-CB 4.26Å; P21-D24 VanDerWaalsContact CD-OD2 3.25Å; P21-D24 WeakPolarHBondContact CD-OD2 3.31Å; P21-D24 HydrophobicContact CG-CB 4.37Å; P21-D24 WeakPolarHBondContact CG-OD2 3.43Å; P21-D24 WeakPolarHBondContact O-CB 3.22Å; P21-D24 PolarHBondContact O-N 3.35Å; F22-D24 VanDerWaalsContact C-N 3.25Å; F22-D24 PolarHBondContact O-N 3.03Å; D24-S27 PolarHBondContact O-N 3.28Å; D24-C28 VanDerWaalsContact O-CB 3.31Å; D24-C28 WeakPolarHBondContact O-CB 3.5Å; D24-C28 PolarHBondContact O-N 3.11Å; D24-C28 PolarHBondContact O-SG 3.45Å; D24-R57 IonicContact OD1-NH2 3.69Å; D24-R57 PolarHBondContact OD1-NH2 3.3Å; D24-R57 VanDerWaalsContact OD1-NH2 3.15Å; D24-R57 IonicContact OD2-CZ 2.87Å; D24-R57 IonicContact OD2-NH2 2.78Å; D24-R57 PolarHBondContact OD2-NH2 2.79Å
25W95.6Very high93.4Very high10 Ų1063 Ų634%0.03832%0.321CS..Hα-helixtrans-59.3-47169.9-75.434.8000111.9F17 L20 P21 F22 S27 C28 S29 F39 L43 W44 V47F17-W25 PolarHBondContact O-NE1 3.26Å; L20-W25 PolarHBondContact O-NE1 3.4Å; P21-W25 VanDerWaalsContact O-CD1 3.31Å; P21-W25 PolarHBondContact O-N 3.5Å; P21-W25 VanDerWaalsContact O-N 3.12Å; F22-W25 AromaticContact CD1-CD2 3.75Å; F22-W25 HydrophobicContact CD1-CD2 3.75Å; F22-W25 AromaticContact CD1-CE2 3.97Å; F22-W25 HydrophobicContact CD1-CE3 4.09Å; F22-W25 AromaticContact CD1-CG 3.98Å; F22-W25 HydrophobicContact CD1-CG 3.98Å; F22-W25 HydrophobicContact CD1-CZ2 4.46Å; F22-W25 AromaticContact CE1-CD2 3.97Å; F22-W25 HydrophobicContact CE1-CD2 3.97Å; F22-W25 AromaticContact CE1-CE2 3.95Å; F22-W25 HydrophobicContact CE1-CE3 4.03Å; F22-W25 HydrophobicContact CE1-CH2 4.03Å; F22-W25 AromaticContact CE1-CZ2 3.98Å; F22-W25 HydrophobicContact CE1-CZ2 3.98Å; F22-W25 HydrophobicContact CE1-CZ3 4.04Å; F22-W25 PolarHBondContact O-N 3.47Å; W25-S27 VanDerWaalsContact C-N 3.31Å; W25-S27 PolarHBondContact O-N 2.83Å; W25-C28 PolarHBondContact O-N 3.2Å; W25-S29 VanDerWaalsContact O-CB 3.25Å; W25-S29 WeakPolarHBondContact O-CB 3.33Å; W25-S29 PolarHBondContact O-N 2.88Å; W25-S29 PolarHBondContact O-OG 2.91Å; W25-F39 HydrophobicContact CB-CD1 4.21Å; W25-F39 HydrophobicContact CB-CE1 3.59Å; W25-F39 HydrophobicContact CB-CZ 4.23Å; W25-F39 HydrophobicContact CD2-CD1 4.03Å; W25-F39 AromaticContact CD2-CE1 3.5Å; W25-F39 HydrophobicContact CD2-CE1 3.5Å; W25-F39 VanDerWaalsContact CD2-CE1 3.5Å; W25-F39 AromaticContact CE3-CD1 3.75Å; W25-F39 HydrophobicContact CE3-CD1 3.75Å; W25-F39 AromaticContact CE3-CE1 3.73Å; W25-F39 HydrophobicContact CE3-CE1 3.73Å; W25-F39 HydrophobicContact CG-CD1 4.26Å; W25-F39 AromaticContact CG-CE1 3.45Å; W25-F39 HydrophobicContact CG-CE1 3.45Å; W25-F39 VanDerWaalsContact CG-CE1 3.45Å; W25-F39 HydrophobicContact CG-CZ 4.24Å; W25-F39 HydrophobicContact CZ3-CD1 4.45Å; W25-L43 HydrophobicContact CE3-CB 4.24Å; W25-L43 HydrophobicContact CH2-CB 3.78Å; W25-L43 HydrophobicContact CH2-CD2 4.33Å; W25-L43 HydrophobicContact CZ3-CB 3.6Å; W25-W44 HydrophobicContact CB-CH2 3.83Å; W25-W44 HydrophobicContact CB-CZ2 3.94Å; W25-W44 HydrophobicContact CD2-CH2 4.27Å; W25-W44 HydrophobicContact CD2-CZ3 4.37Å; W25-W44 AromaticContact CE3-CD2 3.94Å; W25-W44 HydrophobicContact CE3-CD2 3.94Å; W25-W44 AromaticContact CE3-CE3 3.6Å; W25-W44 HydrophobicContact CE3-CE3 3.6Å; W25-W44 AromaticContact CE3-CH2 3.59Å; W25-W44 HydrophobicContact CE3-CH2 3.59Å; W25-W44 AromaticContact CE3-CZ2 3.91Å; W25-W44 HydrophobicContact CE3-CZ2 3.91Å; W25-W44 AromaticContact CE3-CZ3 3.43Å; W25-W44 HydrophobicContact CE3-CZ3 3.43Å; W25-W44 VanDerWaalsContact CE3-CZ3 3.43Å; W25-W44 HydrophobicContact CG-CH2 4.42Å; W25-W44 HydrophobicContact CZ3-CD2 4.15Å; W25-W44 AromaticContact CZ3-CE3 3.71Å; W25-W44 HydrophobicContact CZ3-CE3 3.71Å; W25-W44 HydrophobicContact CZ3-CH2 4.49Å; W25-W44 AromaticContact CZ3-CZ3 3.91Å; W25-W44 HydrophobicContact CZ3-CZ3 3.91Å; W25-V47 HydrophobicContact CH2-CG2 4.03Å; W25-V47 HydrophobicContact CZ3-CG2 3.81Å
26L94.3Very high93.4Very high20 Ų2057 Ų5711%0.10530%0.302CS..Hα-helixtrans-61.2-43.7177.5-71.4170.1000110.9F22 S29 A30 W44 L71 R74 V75 R78F22-L26 WeakPolarHBondContact O-CG 3.27Å; F22-L26 PolarHBondContact O-N 3.07Å; F22-L26 VanDerWaalsContact O-N 3.07Å; L26-S29 PolarHBondContact O-N 3.5Å; L26-S29 PolarHBondContact O-OG 3.37Å; L26-A30 PolarHBondContact O-N 3.09Å; L26-W44 HydrophobicContact CD2-CZ2 4.18Å; L26-L71 HydrophobicContact CD1-CD1 3.53Å; L26-R74 HydrophobicContact CD1-CB 3.75Å; L26-R74 HydrophobicContact CD2-CB 4.2Å; L26-V75 HydrophobicContact CD1-CG2 4.05Å; L26-R78 HydrophobicContact CD2-CG 4.06Å
27S94.5Very high93.5Very high76 Ų7657.4 Ų57.453%0.53131%0.305SS..Hα-helixtrans-64.1-47.2178.2-55.60000112.1E23 D24 W25 S29 A30 A31E23-S27 PolarHBondContact O-N 3.21Å; E23-S27 PolarHBondContact O-OG 3.2Å; D24-S27 PolarHBondContact O-N 3.28Å; W25-S27 VanDerWaalsContact C-N 3.31Å; W25-S27 PolarHBondContact O-N 2.83Å; S27-S29 PolarHBondContact O-N 3.48Å; S27-A30 PolarHBondContact O-N 3.44Å; S27-A31 PolarHBondContact O-N 3.21Å
28C94.4Very high93.5Very high21 Ų2157.2 Ų57.214%0.14230%0.304CS..Hα-helixtrans-64.3-41.4177.2-65.80000111.5F17 D24 W25 A30 A31 W35 F39F17-C28 HydrophobicContact CD1-CB 4.36Å; F17-C28 HydrophobicContact CE1-CB 4.02Å; D24-C28 VanDerWaalsContact O-CB 3.31Å; D24-C28 WeakPolarHBondContact O-CB 3.5Å; D24-C28 PolarHBondContact O-N 3.11Å; D24-C28 PolarHBondContact O-SG 3.45Å; W25-C28 PolarHBondContact O-N 3.2Å; C28-A30 PolarHBondContact O-N 3.15Å; C28-A31 WeakPolarHBondContact O-CB 3.25Å; C28-A31 PolarHBondContact O-N 2.97Å; C28-W35 HydrophobicContact CB-CE3 3.95Å; C28-W35 HydrophobicContact CB-CZ3 4.3Å; C28-F39 HydrophobicContact CB-CE2 3.51Å; C28-F39 HydrophobicContact CB-CZ 3.72Å
29S93.7Very high93.6Very high5 Ų552.9 Ų52.94%0.03528%0.284CS..Hα-helixtrans-62.5-26.2177.276.80000113W25 L26 S27 N36W25-S29 VanDerWaalsContact O-CB 3.25Å; W25-S29 WeakPolarHBondContact O-CB 3.33Å; W25-S29 PolarHBondContact O-N 2.88Å; W25-S29 PolarHBondContact O-OG 2.91Å; L26-S29 PolarHBondContact O-N 3.5Å; L26-S29 PolarHBondContact O-OG 3.37Å; S27-S29 PolarHBondContact O-N 3.48Å; S29-N36 VanDerWaalsContact O-CB 3.27Å; S29-N36 WeakPolarHBondContact O-CB 3.18Å
30A93.8Very high93.8Very high83 Ų8348.3 Ų48.369%0.68626%0.264SS*.Hα-helixtrans-87.5-14.5176.800000113.5L26 S27 C28L26-A30 PolarHBondContact O-N 3.09Å; S27-A30 PolarHBondContact O-N 3.44Å; C28-A30 PolarHBondContact O-N 3.15Å
31A92.5Very high93.9Very high67 Ų6752 Ų5255%0.55428%0.278SS*.Hα-helixtrans-70.4-41-172.300000113.2S27 C28 W35S27-A31 PolarHBondContact O-N 3.21Å; C28-A31 WeakPolarHBondContact O-CB 3.25Å; C28-A31 PolarHBondContact O-N 2.97Å; A31-W35 HydrophobicContact CB-CE3 3.83Å; A31-W35 HydrophobicContact CB-CZ3 3.96Å
32C92.7Very high94Very high48 Ų4854.2 Ų54.232%0.32429%0.285SS..  trans-155.4159.8176.377.90000112.7R34 W35 N36C32-R34 VanDerWaalsContact C-N 3.29Å; C32-R34 PolarHBondContact O-N 3.43Å; C32-W35 PolarHBondContact O-N 2.87Å; C32-W35 VanDerWaalsContact SG-CD1 3.57Å; C32-W35 PolarHBondContact SG-N 3.16Å; C32-W35 VanDerWaalsContact SG-N 3.42Å; C32-N36 PolarHBondContact O-N 2.97Å
33R93.2Very high94.2Very high208 Ų20854 Ų5479%0.78528%0.284SS*.Hα-helixtrans-58.3-39.7-179.5-176.6177.2179.4171.40.4112.6N36 I37R33-N36 PolarHBondContact O-N 2.81Å; R33-I37 HydrophobicContact CG-CD1 4.11Å; R33-I37 WeakPolarHBondContact O-CG1 3.3Å; R33-I37 PolarHBondContact O-N 2.79Å
34R93.6Very high94.4Very high81 Ų8152.7 Ų52.731%0.30628%0.278SS..Hα-helixtrans-60-50.6179.6-179.1-178.8172.3-162.6-0.5110.7D6 L8 C32 I37 L38D6-R34 PolarHBondContact O-NH1 2.86Å; L8-R34 PolarHBondContact O-NH2 3.38Å; C32-R34 VanDerWaalsContact C-N 3.29Å; C32-R34 PolarHBondContact O-N 3.43Å; R34-I37 PolarHBondContact O-N 2.87Å; R34-L38 WeakPolarHBondContact O-CG 3.47Å; R34-L38 PolarHBondContact O-N 2.93Å; R34-L38 VanDerWaalsContact O-N 3.08Å
35W93.7Very high94.5Very high36 Ų3652.8 Ų52.814%0.13628%0.281CS..Hα-helixtrans-66.3-40.6-179.9-63.5-0.1000111.3I5 F17 C28 A31 C32 I37 L38 F39I5-W35 HydrophobicContact CD1-CH2 4.13Å; I5-W35 HydrophobicContact CD1-CZ2 3.92Å; I5-W35 HydrophobicContact CG1-CZ2 4.25Å; I5-W35 HydrophobicContact CG2-CZ2 3.92Å; F17-W35 HydrophobicContact CE1-CD2 4.47Å; F17-W35 HydrophobicContact CE1-CE3 4.27Å; F17-W35 HydrophobicContact CE1-CZ3 4.38Å; F17-W35 HydrophobicContact CE2-CD2 4.38Å; F17-W35 HydrophobicContact CE2-CG 4.24Å; F17-W35 AromaticContact CZ-CD2 3.62Å; F17-W35 HydrophobicContact CZ-CD2 3.62Å; F17-W35 AromaticContact CZ-CE2 3.84Å; F17-W35 AromaticContact CZ-CE3 3.85Å; F17-W35 HydrophobicContact CZ-CE3 3.85Å; F17-W35 AromaticContact CZ-CG 3.96Å; F17-W35 HydrophobicContact CZ-CG 3.96Å; F17-W35 HydrophobicContact CZ-CH2 4.47Å; F17-W35 HydrophobicContact CZ-CZ2 4.27Å; F17-W35 HydrophobicContact CZ-CZ3 4.27Å; C28-W35 HydrophobicContact CB-CE3 3.95Å; C28-W35 HydrophobicContact CB-CZ3 4.3Å; A31-W35 HydrophobicContact CB-CE3 3.83Å; A31-W35 HydrophobicContact CB-CZ3 3.96Å; C32-W35 PolarHBondContact O-N 2.87Å; C32-W35 VanDerWaalsContact SG-CD1 3.57Å; C32-W35 PolarHBondContact SG-N 3.16Å; C32-W35 VanDerWaalsContact SG-N 3.42Å; W35-I37 VanDerWaalsContact C-N 3.26Å; W35-I37 PolarHBondContact O-N 2.95Å; W35-L38 WeakPolarHBondContact O-CB 3.45Å; W35-L38 PolarHBondContact O-N 3.12Å; W35-L38 VanDerWaalsContact O-N 3.08Å; W35-F39 HydrophobicContact CB-CD2 4.46Å; W35-F39 HydrophobicContact CB-CE2 4.49Å; W35-F39 WeakPolarHBondContact O-CD2 3.25Å; W35-F39 PolarHBondContact O-N 3.36Å
36N94.6Very high94.4Very high51 Ų5156.2 Ų56.227%0.27330%0.302SS..Hα-helixtrans-54.3-42.4173.3-173.948.6000112.5S29 C32 R33 N40S29-N36 VanDerWaalsContact O-CB 3.27Å; S29-N36 WeakPolarHBondContact O-CB 3.18Å; C32-N36 PolarHBondContact O-N 2.97Å; R33-N36 PolarHBondContact O-N 2.81Å; N36-N40 PolarHBondContact O-N 3.07Å; N36-N40 VanDerWaalsContact O-N 3.09Å; N36-N40 PolarHBondContact O-ND2 2.85Å; N36-N40 PolarHBondContact OD1-ND2 3.46Å
37I94.6Very high94.4Very high83 Ų8355.6 Ų55.643%0.42630%0.3SS..Hα-helixtrans-64.8-45.7176.6-67.2165.8000110.5R33 R34 W35 F39 N40 K41R33-I37 HydrophobicContact CG-CD1 4.11Å; R33-I37 WeakPolarHBondContact O-CG1 3.3Å; R33-I37 PolarHBondContact O-N 2.79Å; R34-I37 PolarHBondContact O-N 2.87Å; W35-I37 VanDerWaalsContact C-N 3.26Å; W35-I37 PolarHBondContact O-N 2.95Å; I37-F39 VanDerWaalsContact C-N 3.34Å; I37-F39 PolarHBondContact O-N 3.12Å; I37-N40 PolarHBondContact O-N 3.45Å; I37-K41 WeakPolarHBondContact O-CB 3.45Å; I37-K41 PolarHBondContact O-N 2.96Å
38L95.3Very high94.4Very high0 Ų055.3 Ų55.30%030%0.295CS..Hα-helixtrans-57.4-47.2177.1-66.7176.8000111.7E10 L13 R34 W35 K41 F42 L43E10-L38 HydrophobicContact CB-CD2 3.7Å; E10-L38 HydrophobicContact CG-CD2 3.71Å; L13-L38 HydrophobicContact CB-CD1 4.05Å; L13-L38 HydrophobicContact CD1-CD1 3.76Å; R34-L38 WeakPolarHBondContact O-CG 3.47Å; R34-L38 PolarHBondContact O-N 2.93Å; R34-L38 VanDerWaalsContact O-N 3.08Å; W35-L38 WeakPolarHBondContact O-CB 3.45Å; W35-L38 PolarHBondContact O-N 3.12Å; W35-L38 VanDerWaalsContact O-N 3.08Å; L38-K41 PolarHBondContact O-N 3.22Å; L38-F42 HydrophobicContact CD2-CD2 3.82Å; L38-F42 HydrophobicContact CD2-CE2 3.93Å; L38-F42 WeakPolarHBondContact O-CB 3.19Å; L38-F42 PolarHBondContact O-N 2.75Å; L38-L43 PolarHBondContact O-N 2.8Å
39F96Very high94.5Very high0 Ų057 Ų570%031%0.306CS..Iπ-helixtrans-60.8-49.5179-84.7-77.7000112.1F17 W25 C28 W35 I37 K41 L43 W44F17-F39 HydrophobicContact CB-CE1 4.18Å; F17-F39 HydrophobicContact CB-CZ 3.8Å; F17-F39 HydrophobicContact CD1-CE2 4.35Å; F17-F39 AromaticContact CD1-CZ 3.95Å; F17-F39 HydrophobicContact CD1-CZ 3.95Å; F17-F39 AromaticContact CD2-CE2 3.91Å; F17-F39 HydrophobicContact CD2-CE2 3.91Å; F17-F39 AromaticContact CD2-CZ 3.87Å; F17-F39 HydrophobicContact CD2-CZ 3.87Å; F17-F39 HydrophobicContact CE1-CE2 4.5Å; F17-F39 HydrophobicContact CE2-CE2 4.06Å; F17-F39 HydrophobicContact CE2-CZ 4.43Å; F17-F39 HydrophobicContact CG-CE1 4.44Å; F17-F39 HydrophobicContact CG-CE2 4.07Å; F17-F39 AromaticContact CG-CZ 3.61Å; F17-F39 HydrophobicContact CG-CZ 3.61Å; F17-F39 HydrophobicContact CZ-CE2 4.36Å; W25-F39 HydrophobicContact CB-CD1 4.21Å; W25-F39 HydrophobicContact CB-CE1 3.59Å; W25-F39 HydrophobicContact CB-CZ 4.23Å; W25-F39 HydrophobicContact CD2-CD1 4.03Å; W25-F39 AromaticContact CD2-CE1 3.5Å; W25-F39 HydrophobicContact CD2-CE1 3.5Å; W25-F39 VanDerWaalsContact CD2-CE1 3.5Å; W25-F39 AromaticContact CE3-CD1 3.75Å; W25-F39 HydrophobicContact CE3-CD1 3.75Å; W25-F39 AromaticContact CE3-CE1 3.73Å; W25-F39 HydrophobicContact CE3-CE1 3.73Å; W25-F39 HydrophobicContact CG-CD1 4.26Å; W25-F39 AromaticContact CG-CE1 3.45Å; W25-F39 HydrophobicContact CG-CE1 3.45Å; W25-F39 VanDerWaalsContact CG-CE1 3.45Å; W25-F39 HydrophobicContact CG-CZ 4.24Å; W25-F39 HydrophobicContact CZ3-CD1 4.45Å; C28-F39 HydrophobicContact CB-CE2 3.51Å; C28-F39 HydrophobicContact CB-CZ 3.72Å; W35-F39 HydrophobicContact CB-CD2 4.46Å; W35-F39 HydrophobicContact CB-CE2 4.49Å; W35-F39 WeakPolarHBondContact O-CD2 3.25Å; W35-F39 PolarHBondContact O-N 3.36Å; I37-F39 VanDerWaalsContact C-N 3.34Å; I37-F39 PolarHBondContact O-N 3.12Å; F39-K41 PolarHBondContact O-N 3.21Å; F39-L43 HydrophobicContact CD1-CB 3.87Å; F39-L43 HydrophobicContact CD1-CD1 3.37Å; F39-L43 HydrophobicContact CD1-CG 4.24Å; F39-L43 HydrophobicContact CD2-CD1 4.33Å; F39-L43 HydrophobicContact CE1-CB 4.41Å; F39-L43 HydrophobicContact CE1-CD1 3.35Å; F39-L43 HydrophobicContact CE1-CG 4.49Å; F39-L43 HydrophobicContact CE2-CD1 4.31Å; F39-L43 HydrophobicContact CG-CD1 3.88Å; F39-L43 HydrophobicContact CZ-CD1 3.85Å; F39-L43 PolarHBondContact O-N 2.81Å; F39-L43 VanDerWaalsContact O-N 3.16Å; F39-W44 VanDerWaalsContact O-CD1 3.32Å; F39-W44 PolarHBondContact O-N 3.31Å
40N94.8Very high94.4Very high63 Ų6356.8 Ų56.834%0.33730%0.304SS..Iπ-helixtrans-71.5-30.9-177.2-64.9-52.1000113.3N36 I37 P45N36-N40 PolarHBondContact O-N 3.07Å; N36-N40 VanDerWaalsContact O-N 3.09Å; N36-N40 PolarHBondContact O-ND2 2.85Å; N36-N40 PolarHBondContact OD1-ND2 3.46Å; I37-N40 PolarHBondContact O-N 3.45Å; N40-P45 WeakPolarHBondContact O-CD 3.41Å; N40-P45 WeakPolarHBondContact O-CG 3.48Å
41K94.7Very high94.2Very high137 Ų13754.9 Ų54.960%0.59628%0.283SS*.Iπ-helixtrans-88.5-34.9-176.6-170.5176.2173.6-170.70113.1I37 L38 F39I37-K41 WeakPolarHBondContact O-CB 3.45Å; I37-K41 PolarHBondContact O-N 2.96Å; L38-K41 PolarHBondContact O-N 3.22Å; F39-K41 PolarHBondContact O-N 3.21Å
42F95.3Very high93.7Very high75 Ų7551.7 Ų51.733%0.32926%0.257SS..Iπ-helixtrans-124.9-28.7-167.9-56.5-64.7000114.9E10 L38 T46E10-F42 WeakPolarHBondContact OE2-CE2 3.43Å; L38-F42 HydrophobicContact CD2-CD2 3.82Å; L38-F42 HydrophobicContact CD2-CE2 3.93Å; L38-F42 WeakPolarHBondContact O-CB 3.19Å; L38-F42 PolarHBondContact O-N 2.75Å; F42-T46 WeakPolarHBondContact O-CG2 3.48Å
43L95.7Very high93.1Very high0 Ų054.1 Ų54.10%026%0.261CS..Iπ-helixtrans-99.9-54.6-174.6-62.8168.5000113C14 F17 E18 W25 L38 F39 P45 T46C14-L43 HydrophobicContact CB-CD2 4Å; F17-L43 HydrophobicContact CB-CD1 3.66Å; F17-L43 HydrophobicContact CD2-CD1 3.89Å; F17-L43 HydrophobicContact CG-CD1 4.2Å; E18-L43 HydrophobicContact CG-CD2 3.69Å; W25-L43 HydrophobicContact CE3-CB 4.24Å; W25-L43 HydrophobicContact CH2-CB 3.78Å; W25-L43 HydrophobicContact CH2-CD2 4.33Å; W25-L43 HydrophobicContact CZ3-CB 3.6Å; L38-L43 PolarHBondContact O-N 2.8Å; F39-L43 HydrophobicContact CD1-CB 3.87Å; F39-L43 HydrophobicContact CD1-CD1 3.37Å; F39-L43 HydrophobicContact CD1-CG 4.24Å; F39-L43 HydrophobicContact CD2-CD1 4.33Å; F39-L43 HydrophobicContact CE1-CB 4.41Å; F39-L43 HydrophobicContact CE1-CD1 3.35Å; F39-L43 HydrophobicContact CE1-CG 4.49Å; F39-L43 HydrophobicContact CE2-CD1 4.31Å; F39-L43 HydrophobicContact CG-CD1 3.88Å; F39-L43 HydrophobicContact CZ-CD1 3.85Å; F39-L43 PolarHBondContact O-N 2.81Å; F39-L43 VanDerWaalsContact O-N 3.16Å; L43-P45 VanDerWaalsContact C-CD 3.47Å; L43-P45 VanDerWaalsContact C-N 3.3Å; L43-T46 PolarHBondContact O-N 3.45Å; L43-T46 PolarHBondContact O-OG1 2.89Å
44W95.7Very high92.7Very high1 Ų148 Ų480%0.00425%0.251CS..G310 helixtrans-57.9-36.5177.5-65.3125.6000113.7F22 W25 L26 F39 T46 V47 V75 R78 H82F22-W44 HydrophobicContact CD1-CZ3 4.33Å; F22-W44 HydrophobicContact CE1-CZ3 4.41Å; F22-W44 HydrophobicContact CG-CZ3 4.4Å; W25-W44 HydrophobicContact CB-CH2 3.83Å; W25-W44 HydrophobicContact CB-CZ2 3.94Å; W25-W44 HydrophobicContact CD2-CH2 4.27Å; W25-W44 HydrophobicContact CD2-CZ3 4.37Å; W25-W44 AromaticContact CE3-CD2 3.94Å; W25-W44 HydrophobicContact CE3-CD2 3.94Å; W25-W44 AromaticContact CE3-CE3 3.6Å; W25-W44 HydrophobicContact CE3-CE3 3.6Å; W25-W44 AromaticContact CE3-CH2 3.59Å; W25-W44 HydrophobicContact CE3-CH2 3.59Å; W25-W44 AromaticContact CE3-CZ2 3.91Å; W25-W44 HydrophobicContact CE3-CZ2 3.91Å; W25-W44 AromaticContact CE3-CZ3 3.43Å; W25-W44 HydrophobicContact CE3-CZ3 3.43Å; W25-W44 VanDerWaalsContact CE3-CZ3 3.43Å; W25-W44 HydrophobicContact CG-CH2 4.42Å; W25-W44 HydrophobicContact CZ3-CD2 4.15Å; W25-W44 AromaticContact CZ3-CE3 3.71Å; W25-W44 HydrophobicContact CZ3-CE3 3.71Å; W25-W44 HydrophobicContact CZ3-CH2 4.49Å; W25-W44 AromaticContact CZ3-CZ3 3.91Å; W25-W44 HydrophobicContact CZ3-CZ3 3.91Å; L26-W44 HydrophobicContact CD2-CZ2 4.18Å; F39-W44 VanDerWaalsContact O-CD1 3.32Å; F39-W44 PolarHBondContact O-N 3.31Å; W44-T46 PolarHBondContact O-N 3.49Å; W44-V47 HydrophobicContact CE3-CG2 4.14Å; W44-V47 WeakPolarHBondContact O-CB 3.5Å; W44-V47 PolarHBondContact O-N 3.4Å; W44-V47 VanDerWaalsContact O-N 3.14Å; W44-V75 HydrophobicContact CZ3-CG1 4.29Å; W44-R78 HydrophobicContact CD2-CB 3.77Å; W44-R78 HydrophobicContact CE3-CB 4.31Å; W44-R78 HydrophobicContact CG-CB 4.1Å; W44-R78 HydrophobicContact CH2-CB 4.42Å; W44-R78 HydrophobicContact CZ2-CB 3.9Å; W44-R78 HydrophobicContact CZ2-CG 4.17Å; W44-H82 PolarHBondContact O-CD2 3.34Å
45P95.5Very high92.3Very high44 Ų4446.6 Ų46.629%0.28625%0.248SC..G310 helixtrans-62.9-21.9173.6-26.737.8000115.4N40 L43 V47N40-P45 WeakPolarHBondContact O-CD 3.41Å; N40-P45 WeakPolarHBondContact O-CG 3.48Å; L43-P45 VanDerWaalsContact C-CD 3.47Å; L43-P45 VanDerWaalsContact C-N 3.3Å; P45-V47 VanDerWaalsContact C-N 3.3Å
46T94.2Very high91.9Very high81 Ų8145.3 Ų45.350%0.49724%0.243SC..G310 helixtrans-80.5-14.1177.167.10000112.3F42 L43 W44 T48F42-T46 WeakPolarHBondContact O-CG2 3.48Å; L43-T46 PolarHBondContact O-N 3.45Å; L43-T46 PolarHBondContact O-OG1 2.89Å; W44-T46 PolarHBondContact O-N 3.49Å; T46-T48 VanDerWaalsContact C-N 3.25Å; T46-T48 PolarHBondContact O-N 2.97Å
47V93.8Very high91.2Very high8 Ų849 Ų495%0.04825%0.253CS..  trans-79.870.7179.1-170.70000110.6F22 W25 W44 P45F22-V47 HydrophobicContact CE1-CG2 4.27Å; F22-V47 HydrophobicContact CE2-CG1 4.09Å; F22-V47 HydrophobicContact CZ-CG1 3.79Å; F22-V47 HydrophobicContact CZ-CG2 3.8Å; W25-V47 HydrophobicContact CH2-CG2 4.03Å; W25-V47 HydrophobicContact CZ3-CG2 3.81Å; W44-V47 HydrophobicContact CE3-CG2 4.14Å; W44-V47 WeakPolarHBondContact O-CB 3.5Å; W44-V47 PolarHBondContact O-N 3.4Å; W44-V47 VanDerWaalsContact O-N 3.14Å; P45-V47 VanDerWaalsContact C-N 3.3Å
48T95.3Very high90Very high69 Ų6951.1 Ų51.142%0.42326%0.261SS..  trans-82.5-19.6174.261.20000112.9T46 K84 A85T46-T48 VanDerWaalsContact C-N 3.25Å; T46-T48 PolarHBondContact O-N 2.97Å; T48-K84 PolarHBondContact O-N 3.43Å; T48-A85 PolarHBondContact O-N 3.24Å; T48-A85 VanDerWaalsContact O-N 3.15Å
49C95.1Very high88.1Confident57 Ų5753.6 Ų53.639%0.38528%0.282SS..EExtended strand (participates in β ladder)trans-126.9119175.9-1750000109.7H55 A85C49-H55 PolarHBondContact O-CE1 2.99Å; C49-A85 CarbonylContact C-O 3.03Å; C49-A85 WeakPolarHBondContact CA-O 3.44Å; C49-A85 HydrophobicContact CB-CB 4.45Å
50L92.7Very high86.1Confident0 Ų055.5 Ų55.50%029%0.293CS..EExtended strand (participates in β ladder)trans-97.792.3176.4179.764.4000109.5F22 L52 F56 M72 V75 L76 V83 A85 I86 S87F22-L50 HydrophobicContact CD2-CD1 4.04Å; F22-L50 HydrophobicContact CE2-CD1 3.52Å; L50-L52 HydrophobicContact CD1-CD2 4.44Å; L50-L52 HydrophobicContact CD2-CD2 4.11Å; L50-L52 HydrophobicContact CG-CD2 3.95Å; L50-F56 HydrophobicContact CD1-CE2 4.15Å; L50-M72 HydrophobicContact CD2-CE 4.37Å; L50-V75 HydrophobicContact CD1-CG1 4.1Å; L50-L76 HydrophobicContact CD2-CD2 3.85Å; L50-V83 HydrophobicContact CB-CG1 4.2Å; L50-V83 HydrophobicContact CB-CG2 4.32Å; L50-A85 PolarHBondContact N-O 2.98Å; L50-I86 HydrophobicContact CB-CG1 4.2Å; L50-I86 HydrophobicContact CD2-CG1 4.35Å; L50-I86 WeakPolarHBondContact O-CA 3.49Å; L50-S87 PolarHBondContact O-N 3.09Å
51D88.8Confident84.3Confident43 Ų4353.9 Ų53.923%0.2328%0.284CS..EExtended strand (participates in β ladder)trans-83.1109.9168.9-173.8-20.8000110.7K53 S54 H55 S87D51-K53 PolarHBondContact O-N 3.33Å; D51-K53 WeakPolarHBondContact OD1-CA 3.24Å; D51-K53 WeakPolarHBondContact OD1-CB 3.39Å; D51-K53 PolarHBondContact OD1-N 3.32Å; D51-S54 VanDerWaalsContact CB-OG 3.3Å; D51-S54 WeakPolarHBondContact CB-OG 3.45Å; D51-S54 PolarHBondContact OD1-N 2.91Å; D51-H55 WeakPolarHBondContact CA-ND1 3.48Å; D51-H55 PolarHBondContact N-CE1 3.32Å; D51-H55 PolarHBondContact N-ND1 2.87Å; D51-H55 WeakPolarHBondContact O-CB 3.27Å; D51-H55 PolarHBondContact O-N 3.09Å; D51-H55 VanDerWaalsContact O-N 3.17Å; D51-H55 PolarHBondContact O-ND1 3.38Å; D51-S87 CarbonylContact C-O 3.54Å; D51-S87 VanDerWaalsContact CA-O 3.24Å; D51-S87 WeakPolarHBondContact CA-O 3.34Å
52L82.4Confident82.2Confident1 Ų154.5 Ų54.51%0.00529%0.289CS..THydrogen-bonded Turntrans-67.8-15.1-178.6-61-170.9000113.6L50 F56 L61 L67 M72 S87 A88 F130L50-L52 HydrophobicContact CD1-CD2 4.44Å; L50-L52 HydrophobicContact CD2-CD2 4.11Å; L50-L52 HydrophobicContact CG-CD2 3.95Å; L52-F56 HydrophobicContact CD2-CD2 4.36Å; L52-F56 HydrophobicContact CD2-CE2 3.58Å; L52-F56 HydrophobicContact CD2-CZ 4.2Å; L52-F56 WeakPolarHBondContact O-CD2 3.43Å; L52-L61 WeakPolarHBondContact O-CD1 3.49Å; L52-L67 HydrophobicContact CD1-CD1 4.29Å; L52-L67 HydrophobicContact CD1-CD2 4.2Å; L52-M72 HydrophobicContact CD1-CE 3.92Å; L52-M72 HydrophobicContact CD1-SD 4.01Å; L52-M72 HydrophobicContact CD2-CE 3.74Å; L52-M72 HydrophobicContact CD2-SD 3.96Å; L52-M72 HydrophobicContact CG-CE 4.44Å; L52-S87 PolarHBondContact N-O 3.19Å; L52-A88 HydrophobicContact CB-CB 3.78Å; L52-A88 HydrophobicContact CD1-CB 3.7Å; L52-A88 HydrophobicContact CG-CB 3.88Å; L52-F130 HydrophobicContact CD1-CZ 3.99Å
53K81.1Confident80Confident98 Ų9857.6 Ų57.643%0.42631%0.309SS..THydrogen-bonded Turntrans-90.8-39.5179.3-175.1177.8176.8-177.10112.8D51 L61 K89 M90D51-K53 PolarHBondContact O-N 3.33Å; D51-K53 WeakPolarHBondContact OD1-CA 3.24Å; D51-K53 WeakPolarHBondContact OD1-CB 3.39Å; D51-K53 PolarHBondContact OD1-N 3.32Å; K53-L61 HydrophobicContact CG-CD1 4.41Å; K53-K89 WeakPolarHBondContact CD-O 3.44Å; K53-M90 HydrophobicContact CB-SD 4.1Å
54S83.4Confident77.8Confident80 Ų8060.2 Ų60.256%0.55933%0.327SS*.THydrogen-bonded Turntrans-93.8-29.9-173.564.50000114D51D51-S54 VanDerWaalsContact CB-OG 3.3Å; D51-S54 WeakPolarHBondContact CB-OG 3.45Å; D51-S54 PolarHBondContact OD1-N 2.91Å
55H86.2Confident76Confident52 Ų5263.9 Ų63.924%0.24135%0.353CS..SBendtrans-84.4-13.1-176.4-62.3115000114.3P21 F22 C49 D51P21-H55 WeakPolarHBondContact CA-O 3.32Å; F22-H55 HydrophobicContact CD1-CB 4.29Å; F22-H55 HydrophobicContact CD2-CB 3.57Å; F22-H55 HydrophobicContact CE1-CB 4.17Å; F22-H55 AromaticContact CE1-CD2 3.93Å; F22-H55 HydrophobicContact CE2-CB 3.44Å; F22-H55 VanDerWaalsContact CE2-CB 3.44Å; F22-H55 AromaticContact CE2-CG 3.59Å; F22-H55 HydrophobicContact CG-CB 4.01Å; F22-H55 HydrophobicContact CZ-CB 3.76Å; F22-H55 AromaticContact CZ-CD2 3.5Å; F22-H55 VanDerWaalsContact CZ-CD2 3.5Å; F22-H55 WeakPolarHBondContact CZ-CD2 3.31Å; F22-H55 AromaticContact CZ-CG 3.57Å; F22-H55 PolarHBondContact N-O 2.99Å; C49-H55 PolarHBondContact O-CE1 2.99Å; D51-H55 WeakPolarHBondContact CA-ND1 3.48Å; D51-H55 PolarHBondContact N-CE1 3.32Å; D51-H55 PolarHBondContact N-ND1 2.87Å; D51-H55 WeakPolarHBondContact O-CB 3.27Å; D51-H55 PolarHBondContact O-N 3.09Å; D51-H55 VanDerWaalsContact O-N 3.17Å; D51-H55 PolarHBondContact O-ND1 3.38Å
56F84Confident74.5Confident8 Ų867 Ų674%0.03536%0.363CS..SBendtrans-107.9150.1-179.4-65.1-92.1000109.7F22 L50 L52 Q58 L71 V75F22-F56 HydrophobicContact CD2-CE2 4.39Å; F22-F56 HydrophobicContact CD2-CZ 4.33Å; L50-F56 HydrophobicContact CD1-CE2 4.15Å; L52-F56 HydrophobicContact CD2-CD2 4.36Å; L52-F56 HydrophobicContact CD2-CE2 3.58Å; L52-F56 HydrophobicContact CD2-CZ 4.2Å; L52-F56 WeakPolarHBondContact O-CD2 3.43Å; F56-Q58 PolarHBondContact O-N 2.99Å; F56-L71 HydrophobicContact CD1-CD2 3.57Å; F56-L71 HydrophobicContact CD1-CG 4.27Å; F56-L71 HydrophobicContact CE1-CD2 3.74Å; F56-L71 HydrophobicContact CE1-CG 3.92Å; F56-V75 HydrophobicContact CE1-CG2 4.16Å; F56-V75 HydrophobicContact CZ-CG2 4.21Å
57R81Confident73.4Confident128 Ų12863.9 Ų63.948%0.48334%0.344SS..  trans-63.3129.8-179.4-166.2179.6-73174.60.5109.6P21 E23 D24 A59 V60P21-R57 HydrophobicContact CG-CB 4.49Å; E23-R57 PolarHBondContact OE1-N 3.32Å; E23-R57 PolarHBondContact OE2-N 3.2Å; D24-R57 IonicContact OD1-NH2 3.69Å; D24-R57 PolarHBondContact OD1-NH2 3.3Å; D24-R57 VanDerWaalsContact OD1-NH2 3.15Å; D24-R57 IonicContact OD2-CZ 2.87Å; D24-R57 IonicContact OD2-NH2 2.78Å; D24-R57 PolarHBondContact OD2-NH2 2.79Å; R57-A59 PolarHBondContact O-N 3.21Å; R57-A59 VanDerWaalsContact O-N 3.09Å; R57-V60 HydrophobicContact CB-CG2 4.15Å; R57-V60 VanDerWaalsContact O-CB 3.24Å; R57-V60 WeakPolarHBondContact O-CB 3.5Å; R57-V60 PolarHBondContact O-N 3.32Å
58Q68.5Low72.8Confident129 Ų12966.7 Ų66.760%0.60336%0.358SS*.Hα-helixtrans-57.3-32.7-173.1-71.3-1720.700114.3F56 V60 L61 Q62F56-Q58 PolarHBondContact O-N 2.99Å; Q58-V60 PolarHBondContact O-N 2.89Å; Q58-L61 PolarHBondContact O-N 2.96Å; Q58-Q62 PolarHBondContact O-N 3.49Å
59A55.9Low72.4Confident52 Ų5264.5 Ų64.543%0.4335%0.347SS..Hα-helixtrans-57.2-37.1175.200000112.2R57 L61 Q62 D63R57-A59 PolarHBondContact O-N 3.21Å; R57-A59 VanDerWaalsContact O-N 3.09Å; A59-L61 PolarHBondContact O-N 3Å; A59-Q62 PolarHBondContact O-N 3.27Å; A59-D63 PolarHBondContact O-N 3.44Å
60V53.5Low72.1Confident39 Ų3967 Ų6724%0.23636%0.356CS..Hα-helixtrans-61.6-27.6175.8-179.10000111.4R57 Q58 C64 D68R57-V60 HydrophobicContact CB-CG2 4.15Å; R57-V60 VanDerWaalsContact O-CB 3.24Å; R57-V60 WeakPolarHBondContact O-CB 3.5Å; R57-V60 PolarHBondContact O-N 3.32Å; Q58-V60 PolarHBondContact O-N 2.89Å; V60-C64 WeakPolarHBondContact O-CB 3.31Å; V60-C64 PolarHBondContact O-SG 2.84Å; V60-D68 HydrophobicContact CG1-CB 4.38Å
61L57.5Low71.9Confident30 Ų3067.2 Ų67.216%0.15736%0.357CS..Hα-helixtrans-97.6-20.9-177.6-56.1170.9000113.6L52 K53 Q58 A59 M90L52-L61 WeakPolarHBondContact O-CD1 3.49Å; K53-L61 HydrophobicContact CG-CD1 4.41Å; Q58-L61 PolarHBondContact O-N 2.96Å; A59-L61 PolarHBondContact O-N 3Å; L61-M90 HydrophobicContact CB-CE 3.97Å; L61-M90 HydrophobicContact CD1-CE 4Å; L61-M90 HydrophobicContact CD2-CE 3.76Å; L61-M90 HydrophobicContact CG-CE 4.11Å
62Q51.6Low72Confident149 Ų14965.2 Ų65.270%0.69635%0.347SS*.Hα-helixtrans-82.2-41.6-179.1-75.9-175.72.400112.3Q58 A59Q58-Q62 PolarHBondContact O-N 3.49Å; A59-Q62 PolarHBondContact O-N 3.27Å
63D49.1Very low72.5Confident140 Ų14067.6 Ų67.675%0.74936%0.356SS*.SBendtrans-88.5-27.4-175.6-70.4-29.5000113A59A59-D63 PolarHBondContact O-N 3.44Å
64C48.3Very low73.1Confident55 Ų5568.4 Ų68.437%0.37236%0.356SS..  trans-94.9113.4-174.7-520000111.5V60 Q66V60-C64 WeakPolarHBondContact O-CB 3.31Å; V60-C64 PolarHBondContact O-SG 2.84Å; C64-Q66 WeakPolarHBondContact CB-O 3.4Å; C64-Q66 PolarHBondContact O-N 3.14Å
65S57.5Low73.6Confident78 Ų7864.6 Ų64.655%0.54533%0.33SS..SBendtrans-59.52.2151.648.30000113R104 E106S65-R104 CarbonylContact C-O 3.5Å; S65-R104 WeakPolarHBondContact CA-O 3.42Å; S65-E106 PolarHBondContact O-N 3.31Å; S65-E106 VanDerWaalsContact O-N 3.1Å
66Q64.3Low74Confident109 Ų10962.2 Ų62.251%0.50932%0.318SS..BIsolated β-bridgetrans-134.4124.5-179.4-64.4-169.4-25.100109.2C64 D68 E106C64-Q66 WeakPolarHBondContact CB-O 3.4Å; C64-Q66 PolarHBondContact O-N 3.14Å; Q66-D68 PolarHBondContact O-N 3.35Å; Q66-E106 HydrophobicContact CG-CB 4.09Å; Q66-E106 PolarHBondContact NE2-OE2 3.1Å
67L71.9Confident74.5Confident16 Ų1669 Ų698%0.08434%0.344CS..  trans-55.9132.6165.3-177.866.6000108L52 A69 M72 I105 F130L52-L67 HydrophobicContact CD1-CD1 4.29Å; L52-L67 HydrophobicContact CD1-CD2 4.2Å; L67-A69 PolarHBondContact O-N 2.89Å; L67-M72 HydrophobicContact CD1-SD 4.37Å; L67-M72 HydrophobicContact CD2-SD 3.24Å; L67-M72 WeakPolarHBondContact CD2-SD 3.2Å; L67-M72 HydrophobicContact CG-SD 4.05Å; L67-I105 HydrophobicContact CB-CG2 3.73Å; L67-F130 HydrophobicContact CD2-CE1 4.26Å
68D81.7Confident75.1Confident67 Ų6767.7 Ų67.736%0.35834%0.339SS..  trans-63.893171-177.7-15.5000108.5V60 Q66 L70 L71 M72V60-D68 HydrophobicContact CG1-CB 4.38Å; Q66-D68 PolarHBondContact O-N 3.35Å; D68-L70 PolarHBondContact O-N 2.86Å; D68-L70 WeakPolarHBondContact OD1-CB 3.47Å; D68-L70 PolarHBondContact OD1-N 3.1Å; D68-L71 HydrophobicContact CB-CB 3.83Å; D68-L71 HydrophobicContact CB-CD2 4.39Å; D68-L71 PolarHBondContact O-N 3.15Å; D68-L71 PolarHBondContact OD1-N 3.24Å; D68-L71 VanDerWaalsContact OD2-CB 3.27Å; D68-L71 WeakPolarHBondContact OD2-CB 3.37Å; D68-M72 WeakPolarHBondContact O-CB 3.43Å; D68-M72 PolarHBondContact O-N 3.05Å
69A84.9Confident76.4Confident23 Ų2361.5 Ų61.519%0.1931%0.31CS..Hα-helixtrans-63.4-34.4-176.700000110.7L67 R73 T108 V111L67-A69 PolarHBondContact O-N 2.89Å; A69-R73 VanDerWaalsContact O-CB 3.31Å; A69-R73 WeakPolarHBondContact O-CB 3.31Å; A69-R73 WeakPolarHBondContact O-CD 3.39Å; A69-R73 WeakPolarHBondContact O-CG 3.39Å; A69-R73 PolarHBondContact O-N 3.38Å; A69-T108 HydrophobicContact CB-CG2 4.17Å; A69-V111 HydrophobicContact CB-CG2 3.77Å
70L88.9Confident78.2Confident109 Ų10959.1 Ų59.157%0.57129%0.29SS*.Hα-helixtrans-70.2-45.5-179.7-179.164.9000110.7D68 R73 R74D68-L70 PolarHBondContact O-N 2.86Å; D68-L70 WeakPolarHBondContact OD1-CB 3.47Å; D68-L70 PolarHBondContact OD1-N 3.1Å; L70-R73 PolarHBondContact O-N 2.89Å; L70-R74 WeakPolarHBondContact O-CG 3.35Å; L70-R74 PolarHBondContact O-N 3.36Å
71L89.9Confident80.2Confident5 Ų560.2 Ų60.23%0.02630%0.299CS..Hα-helixtrans-59.7-49.8173.9177.668.4000111.2E23 L26 F56 D68 R73 R74 V75E23-L71 HydrophobicContact CG-CD1 4.02Å; E23-L71 HydrophobicContact CG-CD2 3.53Å; E23-L71 HydrophobicContact CG-CG 4.42Å; L26-L71 HydrophobicContact CD1-CD1 3.53Å; F56-L71 HydrophobicContact CD1-CD2 3.57Å; F56-L71 HydrophobicContact CD1-CG 4.27Å; F56-L71 HydrophobicContact CE1-CD2 3.74Å; F56-L71 HydrophobicContact CE1-CG 3.92Å; D68-L71 HydrophobicContact CB-CB 3.83Å; D68-L71 HydrophobicContact CB-CD2 4.39Å; D68-L71 PolarHBondContact O-N 3.15Å; D68-L71 PolarHBondContact OD1-N 3.24Å; D68-L71 VanDerWaalsContact OD2-CB 3.27Å; D68-L71 WeakPolarHBondContact OD2-CB 3.37Å; L71-R73 VanDerWaalsContact C-N 3.3Å; L71-R73 PolarHBondContact O-N 2.98Å; L71-R74 WeakPolarHBondContact O-CB 3.27Å; L71-R74 PolarHBondContact O-N 2.86Å; L71-R74 VanDerWaalsContact O-N 3.09Å; L71-V75 WeakPolarHBondContact O-CG2 3.34Å; L71-V75 PolarHBondContact O-N 3.39Å
72M89.6Confident82Confident1 Ų161.7 Ų61.71%0.00531%0.305CS..Hα-helixtrans-59-42.7179.9-177.5165.7-179.800111.8L50 L52 L67 D68 R74 V75 L76 V111 M115L50-M72 HydrophobicContact CD2-CE 4.37Å; L52-M72 HydrophobicContact CD1-CE 3.92Å; L52-M72 HydrophobicContact CD1-SD 4.01Å; L52-M72 HydrophobicContact CD2-CE 3.74Å; L52-M72 HydrophobicContact CD2-SD 3.96Å; L52-M72 HydrophobicContact CG-CE 4.44Å; L67-M72 HydrophobicContact CD1-SD 4.37Å; L67-M72 HydrophobicContact CD2-SD 3.24Å; L67-M72 WeakPolarHBondContact CD2-SD 3.2Å; L67-M72 HydrophobicContact CG-SD 4.05Å; D68-M72 WeakPolarHBondContact O-CB 3.43Å; D68-M72 PolarHBondContact O-N 3.05Å; M72-R74 PolarHBondContact O-N 2.85Å; M72-V75 PolarHBondContact O-N 3.24Å; M72-L76 HydrophobicContact CE-CD1 4.18Å; M72-L76 HydrophobicContact CG-CD1 4.06Å; M72-L76 HydrophobicContact CG-CG 4.28Å; M72-L76 VanDerWaalsContact O-CG 3.27Å; M72-L76 WeakPolarHBondContact O-CG 3.03Å; M72-L76 PolarHBondContact O-N 2.91Å; M72-V111 HydrophobicContact CB-CG2 4.46Å; M72-V111 HydrophobicContact CE-CG1 3.61Å; M72-V111 HydrophobicContact CG-CG1 4.21Å; M72-V111 HydrophobicContact SD-CG1 3.44Å; M72-V111 WeakPolarHBondContact SD-CG1 3.31Å; M72-V111 HydrophobicContact SD-CG2 4.32Å; M72-M115 HydrophobicContact CE-CE 3.12Å
73R93.2Very high84.1Confident52 Ų5254.6 Ų54.620%0.19627%0.272CS..Hα-helixtrans-62.7-39.8175.8-71.2174.273.8-1658.3112.6A69 L70 L71 V75 L76 R77 V111 D114A69-R73 VanDerWaalsContact O-CB 3.31Å; A69-R73 WeakPolarHBondContact O-CB 3.31Å; A69-R73 WeakPolarHBondContact O-CD 3.39Å; A69-R73 WeakPolarHBondContact O-CG 3.39Å; A69-R73 PolarHBondContact O-N 3.38Å; L70-R73 PolarHBondContact O-N 2.89Å; L71-R73 VanDerWaalsContact C-N 3.3Å; L71-R73 PolarHBondContact O-N 2.98Å; R73-V75 VanDerWaalsContact C-N 3.34Å; R73-L76 PolarHBondContact O-N 3.03Å; R73-R77 VanDerWaalsContact O-CG 3.31Å; R73-R77 WeakPolarHBondContact O-CG 3.34Å; R73-R77 PolarHBondContact O-N 2.97Å; R73-V111 HydrophobicContact CG-CG2 4.28Å; R73-D114 VanDerWaalsContact CB-OD2 3.31Å; R73-D114 WeakPolarHBondContact CB-OD2 3.44Å; R73-D114 HydrophobicContact CG-CB 4.22Å; R73-D114 WeakPolarHBondContact CG-OD2 2.94Å; R73-D114 IonicContact CZ-OD1 3.02Å; R73-D114 IonicContact CZ-OD2 3.28Å; R73-D114 IonicContact NE-OD1 3.96Å; R73-D114 IonicContact NE-OD2 2.7Å; R73-D114 PolarHBondContact NE-OD2 3.39Å; R73-D114 IonicContact NH2-OD1 3.15Å; R73-D114 PolarHBondContact NH2-OD1 3.22Å; R73-D114 IonicContact NH2-OD2 3.94Å; R73-D114 PolarHBondContact NH2-OD2 3Å
74R94Very high86.5Confident115 Ų11553.6 Ų53.643%0.43426%0.261SS..Hα-helixtrans-62.1-42174.2-74.2-177-68.6170.1-0.7111.6L26 L70 L71 M72 R77 R78L26-R74 HydrophobicContact CD1-CB 3.75Å; L26-R74 HydrophobicContact CD2-CB 4.2Å; L70-R74 WeakPolarHBondContact O-CG 3.35Å; L70-R74 PolarHBondContact O-N 3.36Å; L71-R74 WeakPolarHBondContact O-CB 3.27Å; L71-R74 PolarHBondContact O-N 2.86Å; L71-R74 VanDerWaalsContact O-N 3.09Å; M72-R74 PolarHBondContact O-N 2.85Å; R74-R77 PolarHBondContact O-N 3.01Å; R74-R78 WeakPolarHBondContact O-CG 3.3Å; R74-R78 PolarHBondContact O-N 3.17Å
75V94.1Very high88.8Confident0 Ų052 Ų520%025%0.252CS..Hα-helixtrans-62.8-50.4174.41740000110.5F22 L26 W44 L50 F56 L71 M72 R73 R77 R78 S79F22-V75 HydrophobicContact CB-CG2 3.93Å; F22-V75 HydrophobicContact CD2-CG1 3.7Å; F22-V75 HydrophobicContact CD2-CG2 4.26Å; F22-V75 HydrophobicContact CE2-CG1 4.13Å; L26-V75 HydrophobicContact CD1-CG2 4.05Å; W44-V75 HydrophobicContact CZ3-CG1 4.29Å; L50-V75 HydrophobicContact CD1-CG1 4.1Å; F56-V75 HydrophobicContact CE1-CG2 4.16Å; F56-V75 HydrophobicContact CZ-CG2 4.21Å; L71-V75 WeakPolarHBondContact O-CG2 3.34Å; L71-V75 PolarHBondContact O-N 3.39Å; M72-V75 PolarHBondContact O-N 3.24Å; R73-V75 VanDerWaalsContact C-N 3.34Å; V75-R77 VanDerWaalsContact C-N 3.26Å; V75-R77 PolarHBondContact O-N 2.8Å; V75-R78 WeakPolarHBondContact O-CA 3.19Å; V75-R78 PolarHBondContact O-N 3.46Å; V75-S79 PolarHBondContact O-N 3.43Å; V75-S79 PolarHBondContact O-OG 3.35Å; V75-S79 VanDerWaalsContact O-OG 3.05Å
76L94.7Very high90.6Very high1 Ų148.3 Ų48.31%0.00523%0.226CC..Hα-helixtrans-57.3-36.6179.7-70.5171.4000112.7L50 M72 R73 R78 G80 I86 D114 M115L50-L76 HydrophobicContact CD2-CD2 3.85Å; M72-L76 HydrophobicContact CE-CD1 4.18Å; M72-L76 HydrophobicContact CG-CD1 4.06Å; M72-L76 HydrophobicContact CG-CG 4.28Å; M72-L76 VanDerWaalsContact O-CG 3.27Å; M72-L76 WeakPolarHBondContact O-CG 3.03Å; M72-L76 PolarHBondContact O-N 2.91Å; R73-L76 PolarHBondContact O-N 3.03Å; L76-R78 PolarHBondContact O-N 3.46Å; L76-G80 WeakPolarHBondContact O-CA 3.45Å; L76-G80 PolarHBondContact O-N 3.37Å; L76-I86 HydrophobicContact CD2-CD1 4.49Å; L76-D114 HydrophobicContact CD1-CB 4.12Å; L76-M115 HydrophobicContact CD1-CG 3.9Å; L76-M115 HydrophobicContact CD2-CG 4.25Å
77R94.5Very high91.8Very high150 Ų15044.6 Ų44.657%0.56621%0.212SC*.Hα-helixtrans-67.6-22175.2-72.3175.1-169.9-157.41.5114R73 R74 V75 D114 M118R73-R77 VanDerWaalsContact O-CG 3.31Å; R73-R77 WeakPolarHBondContact O-CG 3.34Å; R73-R77 PolarHBondContact O-N 2.97Å; R74-R77 PolarHBondContact O-N 3.01Å; V75-R77 VanDerWaalsContact C-N 3.26Å; V75-R77 PolarHBondContact O-N 2.8Å; R77-D114 IonicContact NE-OD2 3.67Å; R77-M118 HydrophobicContact CG-CE 4.13Å; R77-M118 HydrophobicContact CG-SD 4.41Å
78R94.3Very high92.4Very high101 Ų10143.9 Ų43.938%0.38121%0.208SC..Hα-helixtrans-95.4-40.9179.6-65.5-63.4-170.8170.42.6112.5L26 W44 R74 V75 L76L26-R78 HydrophobicContact CD2-CG 4.06Å; W44-R78 HydrophobicContact CD2-CB 3.77Å; W44-R78 HydrophobicContact CE3-CB 4.31Å; W44-R78 HydrophobicContact CG-CB 4.1Å; W44-R78 HydrophobicContact CH2-CB 4.42Å; W44-R78 HydrophobicContact CZ2-CB 3.9Å; W44-R78 HydrophobicContact CZ2-CG 4.17Å; R74-R78 WeakPolarHBondContact O-CG 3.3Å; R74-R78 PolarHBondContact O-N 3.17Å; V75-R78 WeakPolarHBondContact O-CA 3.19Å; V75-R78 PolarHBondContact O-N 3.46Å; L76-R78 PolarHBondContact O-N 3.46Å
79S94.4Very high92.3Very high0 Ų045.4 Ų45.40%021%0.212CC..Hα-helixtrans-105.9-17.9-173.362.60000114.5V75 C81 H82 V83V75-S79 PolarHBondContact O-N 3.43Å; V75-S79 PolarHBondContact O-OG 3.35Å; V75-S79 VanDerWaalsContact O-OG 3.05Å; S79-C81 VanDerWaalsContact C-N 3.31Å; S79-C81 PolarHBondContact O-N 2.75Å; S79-C81 VanDerWaalsContact O-N 3.1Å; S79-H82 WeakPolarHBondContact O-CB 3.18Å; S79-H82 PolarHBondContact O-N 3.27Å; S79-V83 PolarHBondContact O-N 2.72Å
80G93.9Very high91.8Very high1 Ų146.3 Ų46.31%0.0121%0.213CC..G310 helixtrans-51.5-44.1-164.900000114.2L76 H82 V83 M118 C119L76-G80 WeakPolarHBondContact O-CA 3.45Å; L76-G80 PolarHBondContact O-N 3.37Å; G80-H82 PolarHBondContact O-N 3.05Å; G80-V83 PolarHBondContact O-N 2.8Å; G80-M118 CarbonylContact C-O 3.52Å; G80-C119 WeakPolarHBondContact O-CA 3.22Å
81C95.4Very high90.9Very high63 Ų6341.9 Ų41.943%0.42619%0.189SC..G310 helixtrans-63.1-16.3-179.359.90000113.9S79 M118 N121S79-C81 VanDerWaalsContact C-N 3.31Å; S79-C81 PolarHBondContact O-N 2.75Å; S79-C81 VanDerWaalsContact O-N 3.1Å; C81-M118 PolarHBondContact N-O 3.23Å; C81-M118 VanDerWaalsContact N-O 3.13Å; C81-N121 PolarHBondContact O-ND2 2.88Å
82H95.7Very high89.5Confident60 Ų6044.1 Ų44.128%0.27821%0.205SC..G310 helixtrans-99-19.5176.9-51.8-62.5000113.1W44 S79 G80 K84W44-H82 PolarHBondContact O-CD2 3.34Å; S79-H82 WeakPolarHBondContact O-CB 3.18Å; S79-H82 PolarHBondContact O-N 3.27Å; G80-H82 PolarHBondContact O-N 3.05Å; H82-K84 PolarHBondContact O-N 2.79Å
83V96.8Very high87.9Confident0 Ų047.3 Ų47.30%023%0.232CC..  trans-71.9120.6-174.1176.30000110.7L50 S79 G80 A85 I86 N121 L122L50-V83 HydrophobicContact CB-CG1 4.2Å; L50-V83 HydrophobicContact CB-CG2 4.32Å; S79-V83 PolarHBondContact O-N 2.72Å; G80-V83 PolarHBondContact O-N 2.8Å; V83-A85 WeakPolarHBondContact CG1-O 3.24Å; V83-I86 HydrophobicContact CG1-CD1 4.33Å; V83-I86 HydrophobicContact CG1-CG1 3.65Å; V83-N121 CarbonylContact O-C 3.41Å; V83-L122 HydrophobicContact CG1-CD1 4.2Å; V83-L122 PolarHBondContact O-N 3.15Å
84K97.4Very high85.7Confident119 Ų11949.5 Ų49.552%0.51726%0.261SS..SBendtrans-102.1-24.7172.9-63.7-177.4-179.6179.30112.9T48 H82 N121 T123 V124T48-K84 PolarHBondContact O-N 3.43Å; H82-K84 PolarHBondContact O-N 2.79Å; K84-N121 WeakPolarHBondContact CA-O 3.33Å; K84-N121 HydrophobicContact CG-CB 4.43Å; K84-T123 PolarHBondContact O-N 3.03Å; K84-T123 PolarHBondContact O-OG1 3.32Å; K84-V124 PolarHBondContact O-N 3.04Å; K84-V124 VanDerWaalsContact O-N 3.11Å
85A97.3Very high83.6Confident22 Ų2251.2 Ų51.218%0.18227%0.267CS..EExtended strand (participates in β ladder)trans-138.3137.1179.500000111.2T48 C49 L50 V83 V124T48-A85 PolarHBondContact O-N 3.24Å; T48-A85 VanDerWaalsContact O-N 3.15Å; C49-A85 CarbonylContact C-O 3.03Å; C49-A85 WeakPolarHBondContact CA-O 3.44Å; C49-A85 HydrophobicContact CB-CB 4.45Å; L50-A85 PolarHBondContact N-O 2.98Å; V83-A85 WeakPolarHBondContact CG1-O 3.24Å; A85-V124 CarbonylContact C-O 3.45Å; A85-V124 WeakPolarHBondContact CA-O 3.24Å; A85-V124 HydrophobicContact CB-CB 3.96Å
86I94.9Very high81.5Confident0 Ų055.8 Ų55.80%029%0.285CS..EExtended strand (participates in β ladder)trans-117.1124168.6-63172.1000107.1L50 L76 V83 M115 L122 V124 L125 Y126L50-I86 HydrophobicContact CB-CG1 4.2Å; L50-I86 HydrophobicContact CD2-CG1 4.35Å; L50-I86 WeakPolarHBondContact O-CA 3.49Å; L76-I86 HydrophobicContact CD2-CD1 4.49Å; V83-I86 HydrophobicContact CG1-CD1 4.33Å; V83-I86 HydrophobicContact CG1-CG1 3.65Å; I86-M115 HydrophobicContact CD1-CE 3.93Å; I86-M115 HydrophobicContact CD1-CG 3.85Å; I86-M115 HydrophobicContact CD1-SD 3.78Å; I86-M115 HydrophobicContact CG2-CE 4.08Å; I86-L122 HydrophobicContact CB-CD1 4.28Å; I86-L122 HydrophobicContact CD1-CD1 3.89Å; I86-L122 HydrophobicContact CD1-CD2 4.07Å; I86-L122 HydrophobicContact CG1-CD1 3.7Å; I86-V124 PolarHBondContact N-O 2.91Å; I86-L125 HydrophobicContact CB-CD1 4.01Å; I86-L125 HydrophobicContact CG2-CD1 4.1Å; I86-Y126 PolarHBondContact O-N 3.13Å
87S90.9Very high79.3Confident32 Ų3259 Ų5922%0.22431%0.307CS..EExtended strand (participates in β ladder)trans-127.7136.8-179.8-178.60000110.6L50 D51 L52 Y126L50-S87 PolarHBondContact O-N 3.09Å; D51-S87 CarbonylContact C-O 3.54Å; D51-S87 VanDerWaalsContact CA-O 3.24Å; D51-S87 WeakPolarHBondContact CA-O 3.34Å; L52-S87 PolarHBondContact N-O 3.19Å; S87-Y126 CarbonylContact C-O 3.4Å; S87-Y126 WeakPolarHBondContact CA-O 3.34Å
88A83.6Confident77.1Confident0 Ų059.2 Ų59.20%031%0.308CS..EExtended strand (participates in β ladder)trans-145.790.6178.100000110.7L52 M90 Y126 L127 S128 F130L52-A88 HydrophobicContact CB-CB 3.78Å; L52-A88 HydrophobicContact CD1-CB 3.7Å; L52-A88 HydrophobicContact CG-CB 3.88Å; A88-M90 HydrophobicContact CB-CG 4.38Å; A88-M90 PolarHBondContact O-N 2.85Å; A88-Y126 PolarHBondContact N-O 2.81Å; A88-L127 HydrophobicContact CB-CD2 4.18Å; A88-S128 WeakPolarHBondContact O-CA 3.05Å; A88-S128 PolarHBondContact O-N 3.43Å; A88-F130 HydrophobicContact CB-CE2 3.36Å; A88-F130 HydrophobicContact CB-CZ 3.53Å
89K79.9Confident74.7Confident100 Ų10062.7 Ų62.744%0.43532%0.321SS..EExtended strand (participates in β ladder)trans-9377.2-179.2-167.5175.5-178.5176.20111.3K53 I91 Y126K53-K89 WeakPolarHBondContact CD-O 3.44Å; K89-I91 PolarHBondContact O-N 2.92Å; K89-Y126 HydrophobicContact CB-CE1 4.16Å; K89-Y126 HydrophobicContact CG-CE1 4.4Å
90M74.7Confident72.3Confident42 Ų4267.1 Ų67.121%0.20735%0.351CS..  trans-86.8-6.2-170.4-52.1-54.8-61.200114.4K53 L61 A88 I105 S128 F130K53-M90 HydrophobicContact CB-SD 4.1Å; L61-M90 HydrophobicContact CB-CE 3.97Å; L61-M90 HydrophobicContact CD1-CE 4Å; L61-M90 HydrophobicContact CD2-CE 3.76Å; L61-M90 HydrophobicContact CG-CE 4.11Å; A88-M90 HydrophobicContact CB-CG 4.38Å; A88-M90 PolarHBondContact O-N 2.85Å; M90-I105 HydrophobicContact CB-CD1 3.41Å; M90-I105 VanDerWaalsContact CB-CD1 3.41Å; M90-I105 HydrophobicContact CE-CD1 3.16Å; M90-I105 HydrophobicContact CG-CD1 3.32Å; M90-I105 HydrophobicContact SD-CD1 3.98Å; M90-S128 WeakPolarHBondContact CB-O 3.24Å; M90-S128 PolarHBondContact N-O 3.22Å; M90-S128 VanDerWaalsContact N-O 3.16Å; M90-F130 HydrophobicContact CG-CE2 3.85Å; M90-F130 HydrophobicContact CG-CZ 4.11Å
91I68.8Low70.6Confident15 Ų1569 Ų698%0.07736%0.359CS..SBendtrans-103.7127.1174.8-66.5153.8000110.4K89 F101 W155K89-I91 PolarHBondContact O-N 2.92Å; I91-F101 HydrophobicContact CD1-CE2 3.49Å; I91-F101 VanDerWaalsContact CD1-CE2 3.49Å; I91-F101 HydrophobicContact CD1-CZ 3.66Å; I91-F101 HydrophobicContact CG1-CE2 4.37Å; I91-W155 HydrophobicContact CD1-CB 3.27Å; I91-W155 HydrophobicContact CD1-CG 3.93Å
92S62.2Low68.8Low53 Ų5369.5 Ų69.537%0.37136%0.36SS..  trans-70.7139.2166.163.50000110.5A94 R95S92-A94 PolarHBondContact O-N 3.34Å; S92-R95 PolarHBondContact O-N 2.85Å
93A54.6Low67.5Low67 Ų6767.3 Ų67.355%0.55435%0.352SS*.G310 helixtrans-52-32.4176.700000113.4R95 R96A93-R95 PolarHBondContact O-N 2.87Å; A93-R96 WeakPolarHBondContact O-CG 3.39Å; A93-R96 PolarHBondContact O-N 3.49Å
94A48.1Very low66.3Low98 Ų9874.5 Ų74.581%0.8138%0.379SS*.G310 helixtrans-63.3-20.6178.500000114.8S92S92-A94 PolarHBondContact O-N 3.34Å
95R49.7Very low65.5Low152 Ų15269.3 Ų69.357%0.57436%0.357SS*.G310 helixtrans-977.7-176.7-71.5-176.5-179.9172.11.6114S92 A93 S97S92-R95 PolarHBondContact O-N 2.85Å; A93-R95 PolarHBondContact O-N 2.87Å; R95-S97 PolarHBondContact O-N 3.38Å
96R49.9Very low64.9Low96 Ų9670 Ų7036%0.36236%0.357SS..  trans-72.824.2-179.8-66.3178.2176.4177.8-5.2114.7A93 W155A93-R96 WeakPolarHBondContact O-CG 3.39Å; A93-R96 PolarHBondContact O-N 3.49Å; R96-W155 HydrophobicContact CG-CZ2 4.4Å
97S48.5Very low64.7Low67 Ų6770.1 Ų70.147%0.46936%0.357SS..  trans-73.8134.5175.1170.30000110.5R95 R99 C100R95-S97 PolarHBondContact O-N 3.38Å; S97-R99 PolarHBondContact O-N 3.48Å; S97-C100 PolarHBondContact O-N 3.36Å
98R48.3Very low64.6Low155 Ų15570.2 Ų70.259%0.58536%0.356SS*.THydrogen-bonded Turntrans-49.3-19.4178.5-69.5-179.8175.8170.7-2.7114.9
99R43.5Very low65.1Low175 Ų17575.1 Ų75.166%0.6638%0.378SS*.THydrogen-bonded Turntrans-110-14.7-172.6-65.9-172.6178.9-177.3-0.9115.9S97S97-R99 PolarHBondContact O-N 3.48Å
100C44.3Very low65.7Low92 Ų9274.9 Ų74.962%0.62238%0.38SS*.  trans-121.640.3-173.9-66.50000112.1S97 T102S97-C100 PolarHBondContact O-N 3.36Å; C100-T102 PolarHBondContact O-N 2.94Å
101F57.9Low66.6Low41 Ų4172.9 Ų72.918%0.1837%0.371CS..  trans-86.1106.3-177.8-168.5-97.2000110.9I91 A103 W155 C191I91-F101 HydrophobicContact CD1-CE2 3.49Å; I91-F101 VanDerWaalsContact CD1-CE2 3.49Å; I91-F101 HydrophobicContact CD1-CZ 3.66Å; I91-F101 HydrophobicContact CG1-CE2 4.37Å; F101-A103 HydrophobicContact CE1-CB 3.77Å; F101-A103 HydrophobicContact CZ-CB 4.03Å; F101-W155 AromaticContact CD2-CE3 3.8Å; F101-W155 HydrophobicContact CD2-CE3 3.8Å; F101-W155 HydrophobicContact CD2-CZ3 4.41Å; F101-W155 HydrophobicContact CE1-CB 4.43Å; F101-W155 HydrophobicContact CE2-CB 3.5Å; F101-W155 HydrophobicContact CE2-CD2 4.07Å; F101-W155 AromaticContact CE2-CE3 3.71Å; F101-W155 HydrophobicContact CE2-CE3 3.71Å; F101-W155 HydrophobicContact CE2-CG 4.04Å; F101-W155 HydrophobicContact CZ-CB 3.41Å; F101-W155 VanDerWaalsContact CZ-CB 3.41Å; F101-W155 HydrophobicContact CZ-CE3 4.34Å; F101-W155 HydrophobicContact CZ-CG 4.39Å; F101-W155 WeakPolarHBondContact CZ-O 3.4Å; F101-C191 HydrophobicContact CD1-CB 4.34Å
102T57.6Low67.8Low74 Ų7472.1 Ų72.145%0.45437%0.367SS..  trans-119.295.1167.264.30000107.6C100 R104C100-T102 PolarHBondContact O-N 2.94Å; T102-R104 WeakPolarHBondContact O-CG 3.2Å; T102-R104 PolarHBondContact O-N 3.49Å; T102-R104 WeakPolarHBondContact OG1-CG 3.29Å; T102-R104 PolarHBondContact OG1-NE 3.4Å
103A68.7Low69.4Low13 Ų1371.7 Ų71.711%0.10736%0.362CS..  trans-53.3125.7150.800000106.1F101 G129 V131 R157F101-A103 HydrophobicContact CE1-CB 3.77Å; F101-A103 HydrophobicContact CZ-CB 4.03Å; A103-G129 WeakPolarHBondContact CA-O 3.27Å; A103-V131 VanDerWaalsContact C-CG2 3.5Å; A103-V131 HydrophobicContact CB-CG2 3.56Å; A103-V131 WeakPolarHBondContact O-CG2 3.24Å; A103-R157 HydrophobicContact CB-CB 4.07Å
104R72.2Confident71.3Confident151 Ų15169 Ų6957%0.5734%0.338SS*.  trans-115.8-22-171.3-76-171.9-173.9-163.7-3.4113.3S65 T102 G129S65-R104 CarbonylContact C-O 3.5Å; S65-R104 WeakPolarHBondContact CA-O 3.42Å; T102-R104 WeakPolarHBondContact O-CG 3.2Å; T102-R104 PolarHBondContact O-N 3.49Å; T102-R104 WeakPolarHBondContact OG1-CG 3.29Å; T102-R104 PolarHBondContact OG1-NE 3.4Å; R104-G129 PolarHBondContact N-O 3.39Å
105I80Confident73.6Confident11 Ų1164.3 Ų64.36%0.05630%0.299CS..EExtended strand (participates in β ladder)trans-101.3117.5-167.6-67.7159.3000109.3L67 M90 M107 G129 F130 V131L67-I105 HydrophobicContact CB-CG2 3.73Å; M90-I105 HydrophobicContact CB-CD1 3.41Å; M90-I105 VanDerWaalsContact CB-CD1 3.41Å; M90-I105 HydrophobicContact CE-CD1 3.16Å; M90-I105 HydrophobicContact CG-CD1 3.32Å; M90-I105 HydrophobicContact SD-CD1 3.98Å; I105-M107 PolarHBondContact O-N 3.2Å; I105-G129 PolarHBondContact N-O 3.37Å; I105-F130 HydrophobicContact CB-CD1 4.22Å; I105-F130 HydrophobicContact CB-CE1 4.25Å; I105-F130 HydrophobicContact CG2-CD1 3.75Å; I105-F130 HydrophobicContact CG2-CE1 3.45Å; I105-F130 VanDerWaalsContact CG2-CE1 3.45Å; I105-F130 HydrophobicContact CG2-CZ 4.13Å; I105-F130 CarbonylContact O-C 3.57Å; I105-F130 WeakPolarHBondContact O-CA 3.44Å; I105-V131 PolarHBondContact O-N 3.2Å
106E85.5Confident75.8Confident37 Ų3758.2 Ų58.217%0.17328%0.282CS..EExtended strand (participates in β ladder)trans-69.8123.4176.8-169.4168.1157.600111.8S65 Q66 V131 R133S65-E106 PolarHBondContact O-N 3.31Å; S65-E106 VanDerWaalsContact O-N 3.1Å; Q66-E106 HydrophobicContact CG-CB 4.09Å; Q66-E106 PolarHBondContact NE2-OE2 3.1Å; E106-V131 WeakPolarHBondContact CA-O 3.42Å; E106-R133 VanDerWaalsContact CD-CG 3.42Å; E106-R133 HydrophobicContact CG-CG 3.88Å; E106-R133 WeakPolarHBondContact OE1-CG 3.45Å; E106-R133 IonicContact OE2-NE 3.87Å
107M88.9Confident78Confident1 Ų159.4 Ų59.41%0.00530%0.295CS..EExtended strand (participates in β ladder)trans-87.7127.3164.3-175.559.177.800108.7I105 V111 L112 M115 L127 F130 V131 F132 C137I105-M107 PolarHBondContact O-N 3.2Å; M107-V111 HydrophobicContact SD-CB 4.12Å; M107-V111 HydrophobicContact SD-CG1 3.68Å; M107-L112 HydrophobicContact CG-CD1 3.86Å; M107-L112 HydrophobicContact CG-CD2 4.16Å; M107-L112 HydrophobicContact CG-CG 3.87Å; M107-L112 HydrophobicContact SD-CD2 4.13Å; M107-L112 HydrophobicContact SD-CG 4.07Å; M107-M115 HydrophobicContact CE-CE 4.33Å; M107-L127 HydrophobicContact CE-CD1 3.69Å; M107-L127 HydrophobicContact CE-CD2 3.72Å; M107-L127 HydrophobicContact CE-CG 4.36Å; M107-F130 HydrophobicContact CB-CB 4.43Å; M107-F130 HydrophobicContact CB-CD1 3.92Å; M107-F130 HydrophobicContact CE-CD1 3.72Å; M107-F130 HydrophobicContact CE-CE1 3.67Å; M107-F130 HydrophobicContact CE-CG 4.38Å; M107-F130 HydrophobicContact CE-CZ 4.35Å; M107-V131 PolarHBondContact N-O 2.78Å; M107-F132 HydrophobicContact CB-CD1 4.02Å; M107-F132 HydrophobicContact CB-CE1 3.87Å; M107-F132 HydrophobicContact CB-CZ 4.27Å; M107-F132 HydrophobicContact CG-CD1 4.17Å; M107-F132 HydrophobicContact CG-CE1 3.7Å; M107-F132 HydrophobicContact CG-CZ 4.29Å; M107-C137 PolarHBondContact O-SG 3.43Å
108T90.4Very high80.3Confident34 Ų3459.3 Ų59.321%0.20929%0.288CS..PPolyproline II helixtrans-101.6150.9-179.469.60000111.7A69 L110 V111 L112A69-T108 HydrophobicContact CB-CG2 4.17Å; T108-L110 VanDerWaalsContact C-N 3.25Å; T108-L110 PolarHBondContact O-N 2.99Å; T108-V111 PolarHBondContact O-N 2.85Å; T108-V111 VanDerWaalsContact OG1-CG2 3.29Å; T108-V111 WeakPolarHBondContact OG1-CG2 3.44Å; T108-V111 PolarHBondContact OG1-N 3.11Å; T108-L112 PolarHBondContact O-N 3.2Å
109K92.8Very high82.6Confident104 Ų10452 Ų5245%0.45226%0.26SS..Hα-helixtrans-55.2-43.5176.2-178.7174.3-178.7176.80111.5V111 L112 T113 C137K109-V111 VanDerWaalsContact C-N 3.31Å; K109-V111 PolarHBondContact O-N 2.78Å; K109-L112 PolarHBondContact O-N 2.93Å; K109-T113 PolarHBondContact O-N 2.91Å; K109-T113 PolarHBondContact O-OG1 3.37Å; K109-C137 HydrophobicContact CB-CB 4.19Å; K109-C137 PolarHBondContact N-SG 2.9Å
110L93.2Very high85Confident94 Ų9447.1 Ų47.149%0.49225%0.253SS..Hα-helixtrans-61-38.5-178.8-65.4174.1000112.6T108 D114T108-L110 VanDerWaalsContact C-N 3.25Å; T108-L110 PolarHBondContact O-N 2.99Å; L110-D114 WeakPolarHBondContact O-CB 3.33Å; L110-D114 PolarHBondContact O-N 2.89Å
111V92.9Very high87.5Confident0 Ų046.6 Ų46.60%024%0.244CC..Hα-helixtrans-65.7-46.3176.91670000110.7A69 M72 R73 M107 T108 K109 D114 M115A69-V111 HydrophobicContact CB-CG2 3.77Å; M72-V111 HydrophobicContact CB-CG2 4.46Å; M72-V111 HydrophobicContact CE-CG1 3.61Å; M72-V111 HydrophobicContact CG-CG1 4.21Å; M72-V111 HydrophobicContact SD-CG1 3.44Å; M72-V111 WeakPolarHBondContact SD-CG1 3.31Å; M72-V111 HydrophobicContact SD-CG2 4.32Å; R73-V111 HydrophobicContact CG-CG2 4.28Å; M107-V111 HydrophobicContact SD-CB 4.12Å; M107-V111 HydrophobicContact SD-CG1 3.68Å; T108-V111 PolarHBondContact O-N 2.85Å; T108-V111 VanDerWaalsContact OG1-CG2 3.29Å; T108-V111 WeakPolarHBondContact OG1-CG2 3.44Å; T108-V111 PolarHBondContact OG1-N 3.11Å; K109-V111 VanDerWaalsContact C-N 3.31Å; K109-V111 PolarHBondContact O-N 2.78Å; V111-D114 PolarHBondContact O-N 2.82Å; V111-M115 HydrophobicContact CG1-CE 3.83Å; V111-M115 WeakPolarHBondContact O-CG 3.44Å; V111-M115 PolarHBondContact O-N 2.75Å
112L94.5Very high89.4Confident0 Ų044.6 Ų44.60%024%0.235CC..Hα-helixtrans-67-37.7178.6-67.6169.9000112.7M107 T108 K109 M115 A116 F132 C137 C140 L141M107-L112 HydrophobicContact CG-CD1 3.86Å; M107-L112 HydrophobicContact CG-CD2 4.16Å; M107-L112 HydrophobicContact CG-CG 3.87Å; M107-L112 HydrophobicContact SD-CD2 4.13Å; M107-L112 HydrophobicContact SD-CG 4.07Å; T108-L112 PolarHBondContact O-N 3.2Å; K109-L112 PolarHBondContact O-N 2.93Å; L112-M115 HydrophobicContact CD2-SD 4.01Å; L112-M115 WeakPolarHBondContact O-CB 3.32Å; L112-M115 PolarHBondContact O-N 2.79Å; L112-A116 WeakPolarHBondContact O-CB 3.25Å; L112-A116 PolarHBondContact O-N 3.31Å; L112-F132 HydrophobicContact CD1-CD1 4.46Å; L112-F132 HydrophobicContact CD1-CE1 3.96Å; L112-C137 WeakPolarHBondContact CD1-O 3.18Å; L112-C140 HydrophobicContact CB-CB 3.7Å; L112-C140 HydrophobicContact CD1-CB 4Å; L112-L141 HydrophobicContact CD2-CD2 4.32Å
113T95.4Very high91.3Very high43 Ų4343.2 Ų43.226%0.26423%0.227SC..Hα-helixtrans-65.4-43.7174.2-55.80000111.2K109 M115 A116 L117K109-T113 PolarHBondContact O-N 2.91Å; K109-T113 PolarHBondContact O-OG1 3.37Å; T113-M115 VanDerWaalsContact C-N 3.34Å; T113-M115 PolarHBondContact O-N 2.99Å; T113-A116 WeakPolarHBondContact O-CB 3.11Å; T113-A116 PolarHBondContact O-N 2.84Å; T113-L117 HydrophobicContact CG2-CD1 4.03Å; T113-L117 WeakPolarHBondContact O-CG 3.46Å; T113-L117 PolarHBondContact O-N 2.79Å
114D95.2Very high92.7Very high10 Ų1044.9 Ų44.95%0.05324%0.235CC..Hα-helixtrans-65.4-36.3175-79.923.4000111.1R73 L76 R77 L110 V111 A116 L117 M118R73-D114 VanDerWaalsContact CB-OD2 3.31Å; R73-D114 WeakPolarHBondContact CB-OD2 3.44Å; R73-D114 HydrophobicContact CG-CB 4.22Å; R73-D114 WeakPolarHBondContact CG-OD2 2.94Å; R73-D114 IonicContact CZ-OD1 3.02Å; R73-D114 IonicContact CZ-OD2 3.28Å; R73-D114 IonicContact NE-OD1 3.96Å; R73-D114 IonicContact NE-OD2 2.7Å; R73-D114 PolarHBondContact NE-OD2 3.39Å; R73-D114 IonicContact NH2-OD1 3.15Å; R73-D114 PolarHBondContact NH2-OD1 3.22Å; R73-D114 IonicContact NH2-OD2 3.94Å; R73-D114 PolarHBondContact NH2-OD2 3Å; L76-D114 HydrophobicContact CD1-CB 4.12Å; R77-D114 IonicContact NE-OD2 3.67Å; L110-D114 WeakPolarHBondContact O-CB 3.33Å; L110-D114 PolarHBondContact O-N 2.89Å; V111-D114 PolarHBondContact O-N 2.82Å; D114-A116 PolarHBondContact O-N 2.94Å; D114-L117 PolarHBondContact O-N 3.21Å; D114-M118 VanDerWaalsContact O-CB 3.24Å; D114-M118 WeakPolarHBondContact O-CB 3.33Å; D114-M118 WeakPolarHBondContact O-CG 3.47Å; D114-M118 PolarHBondContact O-N 2.89Å
115M95.8Very high93.9Very high0 Ų037.7 Ų37.70%021%0.208CC..Hα-helixtrans-59.1-46.4170.8-72.6179.9-175.400111.5M72 L76 I86 M107 V111 L112 T113 L117 C119 L125 L144M72-M115 HydrophobicContact CE-CE 3.12Å; L76-M115 HydrophobicContact CD1-CG 3.9Å; L76-M115 HydrophobicContact CD2-CG 4.25Å; I86-M115 HydrophobicContact CD1-CE 3.93Å; I86-M115 HydrophobicContact CD1-CG 3.85Å; I86-M115 HydrophobicContact CD1-SD 3.78Å; I86-M115 HydrophobicContact CG2-CE 4.08Å; M107-M115 HydrophobicContact CE-CE 4.33Å; V111-M115 HydrophobicContact CG1-CE 3.83Å; V111-M115 WeakPolarHBondContact O-CG 3.44Å; V111-M115 PolarHBondContact O-N 2.75Å; L112-M115 HydrophobicContact CD2-SD 4.01Å; L112-M115 WeakPolarHBondContact O-CB 3.32Å; L112-M115 PolarHBondContact O-N 2.79Å; T113-M115 VanDerWaalsContact C-N 3.34Å; T113-M115 PolarHBondContact O-N 2.99Å; M115-L117 VanDerWaalsContact C-N 3.29Å; M115-L117 PolarHBondContact O-N 3.14Å; M115-C119 WeakPolarHBondContact O-CB 3.33Å; M115-C119 PolarHBondContact O-N 3.02Å; M115-L125 HydrophobicContact SD-CD1 4.4Å; M115-L144 HydrophobicContact CB-CD2 3.89Å; M115-L144 HydrophobicContact SD-CD2 4.48Å
116A95.9Very high94.5Very high24 Ų2439.1 Ų39.120%0.19821%0.213CC..Hα-helixtrans-61.7-36.6179.400000112.8L112 T113 D114 L143L112-A116 WeakPolarHBondContact O-CB 3.25Å; L112-A116 PolarHBondContact O-N 3.31Å; T113-A116 WeakPolarHBondContact O-CB 3.11Å; T113-A116 PolarHBondContact O-N 2.84Å; D114-A116 PolarHBondContact O-N 2.94Å; A116-L143 HydrophobicContact CB-CB 4Å; A116-L143 WeakPolarHBondContact CB-O 3.35Å
117L95.9Very high94.7Very high122 Ų12237.4 Ų37.464%0.63921%0.205SC*.Hα-helixtrans-82.8-38.5-178.4-68.2172000113.4T113 D114 M115T113-L117 HydrophobicContact CG2-CD1 4.03Å; T113-L117 WeakPolarHBondContact O-CG 3.46Å; T113-L117 PolarHBondContact O-N 2.79Å; D114-L117 PolarHBondContact O-N 3.21Å; M115-L117 VanDerWaalsContact C-N 3.29Å; M115-L117 PolarHBondContact O-N 3.14Å
118M96.6Very high94.6Very high65 Ų6537.4 Ų37.432%0.3221%0.205SC..Hα-helixtrans-97.9-31-169.2-54.8-62.8166.100112.8R77 G80 C81 D114 S120R77-M118 HydrophobicContact CG-CE 4.13Å; R77-M118 HydrophobicContact CG-SD 4.41Å; G80-M118 CarbonylContact C-O 3.52Å; C81-M118 PolarHBondContact N-O 3.23Å; C81-M118 VanDerWaalsContact N-O 3.13Å; D114-M118 VanDerWaalsContact O-CB 3.24Å; D114-M118 WeakPolarHBondContact O-CB 3.33Å; D114-M118 WeakPolarHBondContact O-CG 3.47Å; D114-M118 PolarHBondContact O-N 2.89Å; M118-S120 PolarHBondContact O-N 3.31Å
119C96.5Very high94.3Very high0 Ų035.9 Ų35.90%020%0.196CC..  trans-92.753.9-171.9-55.70000113.1G80 M115 N121 L122 P145G80-C119 WeakPolarHBondContact O-CA 3.22Å; M115-C119 WeakPolarHBondContact O-CB 3.33Å; M115-C119 PolarHBondContact O-N 3.02Å; C119-N121 PolarHBondContact O-N 3.32Å; C119-L122 HydrophobicContact CB-CB 3.92Å; C119-L122 HydrophobicContact CB-CD2 4.44Å; C119-L122 VanDerWaalsContact O-CB 3.25Å; C119-L122 WeakPolarHBondContact O-CB 3.47Å; C119-L122 PolarHBondContact O-N 3.16Å; C119-P145 WeakPolarHBondContact O-CG 3.27Å
120S95.4Very high94Very high73 Ų7331 Ų3151%0.5118%0.175SC..THydrogen-bonded Turntrans-55.2-19.7-173.955.50000115.8M118 C147M118-S120 PolarHBondContact O-N 3.31Å; S120-C147 PolarHBondContact O-SG 2.81Å; S120-C147 VanDerWaalsContact O-SG 3.37Å
121N96.4Very high93.6Very high81 Ų8126.8 Ų26.843%0.43315%0.153SC..THydrogen-bonded Turntrans-102.610.9178.9-69-48.3000114.1C81 V83 K84 C119 T123C81-N121 PolarHBondContact O-ND2 2.88Å; V83-N121 CarbonylContact O-C 3.41Å; K84-N121 WeakPolarHBondContact CA-O 3.33Å; K84-N121 HydrophobicContact CG-CB 4.43Å; C119-N121 PolarHBondContact O-N 3.32Å; N121-T123 PolarHBondContact O-N 2.82Å
122L97.5Very high93.3Very high0 Ų026.8 Ų26.80%015%0.153CC..  trans-66.7115.2-175.4-17365.3000111.7V83 I86 C119 V124 L144 P145 C147 L148V83-L122 HydrophobicContact CG1-CD1 4.2Å; V83-L122 PolarHBondContact O-N 3.15Å; I86-L122 HydrophobicContact CB-CD1 4.28Å; I86-L122 HydrophobicContact CD1-CD1 3.89Å; I86-L122 HydrophobicContact CD1-CD2 4.07Å; I86-L122 HydrophobicContact CG1-CD1 3.7Å; C119-L122 HydrophobicContact CB-CB 3.92Å; C119-L122 HydrophobicContact CB-CD2 4.44Å; C119-L122 VanDerWaalsContact O-CB 3.25Å; C119-L122 WeakPolarHBondContact O-CB 3.47Å; C119-L122 PolarHBondContact O-N 3.16Å; L122-V124 WeakPolarHBondContact CD1-O 3.16Å; L122-L144 HydrophobicContact CD2-CD2 4.35Å; L122-P145 HydrophobicContact CB-CG 4.09Å; L122-C147 PolarHBondContact O-SG 3Å; L122-L148 HydrophobicContact CD2-CD2 4.26Å; L122-L148 HydrophobicContact CG-CD2 3.98Å; L122-L148 PolarHBondContact O-N 2.62Å
123T97.9Very high92.9Very high45 Ų4532.9 Ų32.928%0.27618%0.176SC..  trans-105-30.5177.658.70000112.6K84 N121 L148 T149 S150K84-T123 PolarHBondContact O-N 3.03Å; K84-T123 PolarHBondContact O-OG1 3.32Å; N121-T123 PolarHBondContact O-N 2.82Å; T123-L148 WeakPolarHBondContact O-CD2 3.47Å; T123-T149 PolarHBondContact O-N 3.1Å; T123-T149 PolarHBondContact O-OG1 2.82Å; T123-S150 PolarHBondContact O-N 3.28Å
124V98.2Very high92.5Very high47 Ų4732.7 Ų32.729%0.28518%0.177SC..EExtended strand (participates in β ladder)trans-128.1125.7-175.4179.30000110.8K84 A85 I86 L122K84-V124 PolarHBondContact O-N 3.04Å; K84-V124 VanDerWaalsContact O-N 3.11Å; A85-V124 CarbonylContact C-O 3.45Å; A85-V124 WeakPolarHBondContact CA-O 3.24Å; A85-V124 HydrophobicContact CB-CB 3.96Å; I86-V124 PolarHBondContact N-O 2.91Å; L122-V124 WeakPolarHBondContact CD1-O 3.16Å
125L96.4Very high92.2Very high0 Ų033.7 Ų33.70%018%0.18CC..EExtended strand (participates in β ladder)trans-118.8113.8168.5178.865.1000109.8I86 M115 L127 L141 L144 L148 S150 I151 S152I86-L125 HydrophobicContact CB-CD1 4.01Å; I86-L125 HydrophobicContact CG2-CD1 4.1Å; M115-L125 HydrophobicContact SD-CD1 4.4Å; L125-L127 HydrophobicContact CD1-CD1 4.21Å; L125-L127 HydrophobicContact CD1-CD2 3.93Å; L125-L127 HydrophobicContact CD1-CG 3.85Å; L125-L127 HydrophobicContact CD2-CD1 4.2Å; L125-L127 HydrophobicContact CD2-CG 4.5Å; L125-L127 HydrophobicContact CG-CD1 4.32Å; L125-L127 HydrophobicContact CG-CG 4.08Å; L125-L141 HydrophobicContact CD2-CD2 3.76Å; L125-L144 HydrophobicContact CD2-CD1 3.43Å; L125-L144 VanDerWaalsContact CD2-CD1 3.43Å; L125-L148 HydrophobicContact CB-CD2 4.4Å; L125-S150 PolarHBondContact N-O 2.78Å; L125-I151 CarbonylContact O-C 3.57Å; L125-I151 WeakPolarHBondContact O-CA 3.37Å; L125-S152 PolarHBondContact O-N 2.74Å
126Y93.7Very high91.9Very high42 Ų4238.3 Ų38.317%0.16521%0.205CC..EExtended strand (participates in β ladder)trans-118.7111.3173.8-179-83.8000109.9I86 S87 A88 K89 S152 Q154I86-Y126 PolarHBondContact O-N 3.13Å; S87-Y126 CarbonylContact C-O 3.4Å; S87-Y126 WeakPolarHBondContact CA-O 3.34Å; A88-Y126 PolarHBondContact N-O 2.81Å; K89-Y126 HydrophobicContact CB-CE1 4.16Å; K89-Y126 HydrophobicContact CG-CE1 4.4Å; Y126-S152 CarbonylContact C-O 3.55Å; Y126-S152 WeakPolarHBondContact CA-O 3.35Å; Y126-S152 WeakPolarHBondContact CD2-OG 3.46Å; Y126-Q154 HydrophobicContact CE2-CG 3.95Å; Y126-Q154 VanDerWaalsContact OH-CD 3.31Å; Y126-Q154 PolarHBondContact OH-OE1 3.41Å
127L90Very high91.7Very high0 Ų037.3 Ų37.30%020%0.197CC..EExtended strand (participates in β ladder)trans-117.9126.6176.1-59.9178.3000108.8A88 M107 L125 F130 F132 S152 L153 Q154A88-L127 HydrophobicContact CB-CD2 4.18Å; M107-L127 HydrophobicContact CE-CD1 3.69Å; M107-L127 HydrophobicContact CE-CD2 3.72Å; M107-L127 HydrophobicContact CE-CG 4.36Å; L125-L127 HydrophobicContact CD1-CD1 4.21Å; L125-L127 HydrophobicContact CD1-CD2 3.93Å; L125-L127 HydrophobicContact CD1-CG 3.85Å; L125-L127 HydrophobicContact CD2-CD1 4.2Å; L125-L127 HydrophobicContact CD2-CG 4.5Å; L125-L127 HydrophobicContact CG-CD1 4.32Å; L125-L127 HydrophobicContact CG-CG 4.08Å; L127-F130 HydrophobicContact CB-CD2 3.82Å; L127-F130 HydrophobicContact CB-CE2 4.24Å; L127-F130 HydrophobicContact CB-CG 4.47Å; L127-F130 HydrophobicContact CD2-CD2 4.27Å; L127-F130 HydrophobicContact CD2-CE2 4.02Å; L127-F130 HydrophobicContact CD2-CZ 4.26Å; L127-F132 HydrophobicContact CD1-CZ 4.21Å; L127-S152 PolarHBondContact N-O 3.32Å; L127-L153 HydrophobicContact CB-CD2 4.07Å; L127-L153 HydrophobicContact CD1-CD2 3.93Å; L127-L153 HydrophobicContact CG-CD2 4.34Å; L127-L153 CarbonylContact O-C 3.54Å; L127-L153 WeakPolarHBondContact O-CA 3.48Å; L127-Q154 PolarHBondContact O-N 2.79Å
128S86.8Confident91.4Very high2 Ų231.5 Ų31.51%0.01417%0.167CC..EExtended strand (participates in β ladder)trans-132.3128.6172.1-171.60000113.8A88 M90 Q154A88-S128 WeakPolarHBondContact O-CA 3.05Å; A88-S128 PolarHBondContact O-N 3.43Å; M90-S128 WeakPolarHBondContact CB-O 3.24Å; M90-S128 PolarHBondContact N-O 3.22Å; M90-S128 VanDerWaalsContact N-O 3.16Å; S128-Q154 WeakPolarHBondContact CA-O 3.18Å; S128-Q154 WeakPolarHBondContact CB-O 3.45Å; S128-Q154 PolarHBondContact OG-O 2.98Å
129G83.7Confident91.2Very high2 Ų228.9 Ų28.92%0.02115%0.154CC..SBendtrans85.121.1178.800000115.3A103 R104 I105 Q154 W155A103-G129 WeakPolarHBondContact CA-O 3.27Å; R104-G129 PolarHBondContact N-O 3.39Å; I105-G129 PolarHBondContact N-O 3.37Å; G129-Q154 PolarHBondContact N-O 3.3Å; G129-W155 VanDerWaalsContact CA-O 3.24Å; G129-W155 WeakPolarHBondContact CA-O 3.47Å; G129-W155 PolarHBondContact N-O 3.06Å
130F85.8Confident91.1Very high1 Ų129 Ų290%0.00416%0.155CC..EExtended strand (participates in β ladder)trans-91.9147.4-179.1-74.6-96.2000113L52 L67 A88 M90 I105 M107 L127 F132 C156 R157L52-F130 HydrophobicContact CD1-CZ 3.99Å; L67-F130 HydrophobicContact CD2-CE1 4.26Å; A88-F130 HydrophobicContact CB-CE2 3.36Å; A88-F130 HydrophobicContact CB-CZ 3.53Å; M90-F130 HydrophobicContact CG-CE2 3.85Å; M90-F130 HydrophobicContact CG-CZ 4.11Å; I105-F130 HydrophobicContact CB-CD1 4.22Å; I105-F130 HydrophobicContact CB-CE1 4.25Å; I105-F130 HydrophobicContact CG2-CD1 3.75Å; I105-F130 HydrophobicContact CG2-CE1 3.45Å; I105-F130 VanDerWaalsContact CG2-CE1 3.45Å; I105-F130 HydrophobicContact CG2-CZ 4.13Å; I105-F130 CarbonylContact O-C 3.57Å; I105-F130 WeakPolarHBondContact O-CA 3.44Å; M107-F130 HydrophobicContact CB-CB 4.43Å; M107-F130 HydrophobicContact CB-CD1 3.92Å; M107-F130 HydrophobicContact CE-CD1 3.72Å; M107-F130 HydrophobicContact CE-CE1 3.67Å; M107-F130 HydrophobicContact CE-CG 4.38Å; M107-F130 HydrophobicContact CE-CZ 4.35Å; L127-F130 HydrophobicContact CB-CD2 3.82Å; L127-F130 HydrophobicContact CB-CE2 4.24Å; L127-F130 HydrophobicContact CB-CG 4.47Å; L127-F130 HydrophobicContact CD2-CD2 4.27Å; L127-F130 HydrophobicContact CD2-CE2 4.02Å; L127-F130 HydrophobicContact CD2-CZ 4.26Å; F130-F132 HydrophobicContact CB-CE2 4.34Å; F130-C156 CarbonylContact O-C 3.6Å; F130-C156 VanDerWaalsContact O-CA 3.23Å; F130-C156 WeakPolarHBondContact O-CA 3.29Å; F130-R157 PolarHBondContact O-N 3.13Å
131V84.9Confident91.1Very high6 Ų625.5 Ų25.54%0.03613%0.131CC..EExtended strand (participates in β ladder)trans-110.6126.5172.6-177.20000108.8A103 I105 E106 M107 R157 D159A103-V131 VanDerWaalsContact C-CG2 3.5Å; A103-V131 HydrophobicContact CB-CG2 3.56Å; A103-V131 WeakPolarHBondContact O-CG2 3.24Å; I105-V131 PolarHBondContact O-N 3.2Å; E106-V131 WeakPolarHBondContact CA-O 3.42Å; M107-V131 PolarHBondContact N-O 2.78Å; V131-R157 CarbonylContact C-O 3.57Å; V131-R157 WeakPolarHBondContact CA-O 3.42Å; V131-R157 HydrophobicContact CG2-CB 4.47Å; V131-D159 HydrophobicContact CG1-CB 3.8Å; V131-D159 VanDerWaalsContact CG1-CG 3.45Å
132F87.8Confident91Very high0 Ų026 Ų260%013%0.127CC..EExtended strand (participates in β ladder)trans-100.2113.2169.4-61-97.2000107.8M107 L112 L127 F130 S134 F138 C156 R157 L158 D159 W195M107-F132 HydrophobicContact CB-CD1 4.02Å; M107-F132 HydrophobicContact CB-CE1 3.87Å; M107-F132 HydrophobicContact CB-CZ 4.27Å; M107-F132 HydrophobicContact CG-CD1 4.17Å; M107-F132 HydrophobicContact CG-CE1 3.7Å; M107-F132 HydrophobicContact CG-CZ 4.29Å; L112-F132 HydrophobicContact CD1-CD1 4.46Å; L112-F132 HydrophobicContact CD1-CE1 3.96Å; L127-F132 HydrophobicContact CD1-CZ 4.21Å; F130-F132 HydrophobicContact CB-CE2 4.34Å; F132-S134 VanDerWaalsContact C-N 3.32Å; F132-F138 HydrophobicContact CB-CB 4.2Å; F132-F138 HydrophobicContact CB-CD2 4.46Å; F132-F138 HydrophobicContact CD1-CB 4.1Å; F132-F138 AromaticContact CD1-CD2 3.81Å; F132-F138 HydrophobicContact CD1-CD2 3.81Å; F132-F138 HydrophobicContact CD1-CG 4.47Å; F132-F138 AromaticContact CD2-CD2 3.95Å; F132-F138 HydrophobicContact CD2-CD2 3.95Å; F132-F138 HydrophobicContact CD2-CE2 4.5Å; F132-F138 AromaticContact CE1-CD2 3.92Å; F132-F138 HydrophobicContact CE1-CD2 3.92Å; F132-F138 HydrophobicContact CE2-CD2 4.1Å; F132-F138 HydrophobicContact CE2-CE2 4.35Å; F132-F138 HydrophobicContact CG-CB 4.26Å; F132-F138 AromaticContact CG-CD2 3.82Å; F132-F138 HydrophobicContact CG-CD2 3.82Å; F132-F138 HydrophobicContact CG-CG 4.48Å; F132-F138 HydrophobicContact CZ-CD2 4.09Å; F132-F138 HydrophobicContact CZ-CE2 4.44Å; F132-C156 HydrophobicContact CE2-CB 4.08Å; F132-R157 WeakPolarHBondContact CD2-O 3.2Å; F132-R157 PolarHBondContact N-O 3.25Å; F132-L158 HydrophobicContact CB-CD1 3.79Å; F132-L158 CarbonylContact O-C 3.6Å; F132-L158 WeakPolarHBondContact O-CA 3.08Å; F132-D159 PolarHBondContact O-N 3.29Å; F132-W195 HydrophobicContact CD2-CZ2 4.14Å; F132-W195 HydrophobicContact CE2-CH2 4.44Å; F132-W195 HydrophobicContact CE2-CZ2 4.41Å
133R85.5Confident90.9Very high127 Ų12729.6 Ų29.648%0.47915%0.145SC..SBendtrans-77-16.1-177.7-66.8-66-169.6-175.81.9114.3E106 D159E106-R133 VanDerWaalsContact CD-CG 3.42Å; E106-R133 HydrophobicContact CG-CG 3.88Å; E106-R133 WeakPolarHBondContact OE1-CG 3.45Å; E106-R133 IonicContact OE2-NE 3.87Å; R133-D159 IonicContact CZ-OD2 2.85Å; R133-D159 IonicContact NH1-OD2 2.77Å; R133-D159 PolarHBondContact NH1-OD2 3.08Å
134S87.5Confident90.8Very high39 Ų3927.4 Ų27.427%0.27313%0.132SC..SBendtrans-141.6149.6179.566.90000111.2F132 D136 C137 F138F132-S134 VanDerWaalsContact C-N 3.32Å; S134-D136 PolarHBondContact O-N 3.19Å; S134-C137 PolarHBondContact O-N 3.38Å; S134-C137 WeakPolarHBondContact OG-CB 3.44Å; S134-C137 PolarHBondContact OG-N 2.87Å; S134-C137 VanDerWaalsContact OG-N 3.12Å; S134-F138 PolarHBondContact O-N 3.39Å; S134-F138 VanDerWaalsContact O-N 3.15Å
135F88.1Confident90.7Very high31 Ų3125.9 Ų25.914%0.13612%0.123CC..Hα-helixtrans-64.2-31.7171.9-173.5-104.2000111.5C137 F138 S139 L158 P163 S167 V168 L171F135-C137 PolarHBondContact O-N 3.15Å; F135-F138 HydrophobicContact CD2-CD1 4.14Å; F135-F138 HydrophobicContact CE2-CD1 4.02Å; F135-F138 CarbonylContact O-C 3.59Å; F135-F138 PolarHBondContact O-N 3.26Å; F135-S139 VanDerWaalsContact O-CB 3.3Å; F135-S139 WeakPolarHBondContact O-CB 3.21Å; F135-S139 PolarHBondContact O-N 3.18Å; F135-L158 HydrophobicContact CD2-CD2 4.18Å; F135-P163 HydrophobicContact CB-CB 4.1Å; F135-P163 HydrophobicContact CD2-CB 3.55Å; F135-P163 HydrophobicContact CD2-CG 4.23Å; F135-P163 HydrophobicContact CE2-CB 4.14Å; F135-P163 HydrophobicContact CG-CB 3.84Å; F135-S167 VanDerWaalsContact CZ-O 3.3Å; F135-S167 WeakPolarHBondContact CZ-O 3.46Å; F135-V168 HydrophobicContact CE2-CG2 4.1Å; F135-L171 HydrophobicContact CE2-CD2 4.21Å; F135-L171 HydrophobicContact CZ-CB 4.13Å; F135-L171 HydrophobicContact CZ-CD2 4.29Å
136D90.3Very high90.7Very high97 Ų9729.5 Ų29.552%0.51915%0.145SC..Hα-helixtrans-58.3-44.8173-78.14.3000112.9S134 S139 C140S134-D136 PolarHBondContact O-N 3.19Å; D136-S139 PolarHBondContact O-N 2.8Å; D136-S139 PolarHBondContact O-OG 3.5Å; D136-C140 PolarHBondContact O-N 3.32Å; D136-C140 PolarHBondContact O-SG 3.33Å
137C91.3Very high90.8Very high4 Ų429.1 Ų29.13%0.02715%0.148CC..Hα-helixtrans-60.5-51.5174177.30000109.9M107 K109 L112 S134 F135 S139 C140M107-C137 PolarHBondContact O-SG 3.43Å; K109-C137 HydrophobicContact CB-CB 4.19Å; K109-C137 PolarHBondContact N-SG 2.9Å; L112-C137 WeakPolarHBondContact CD1-O 3.18Å; S134-C137 PolarHBondContact O-N 3.38Å; S134-C137 WeakPolarHBondContact OG-CB 3.44Å; S134-C137 PolarHBondContact OG-N 2.87Å; S134-C137 VanDerWaalsContact OG-N 3.12Å; F135-C137 PolarHBondContact O-N 3.15Å; C137-S139 VanDerWaalsContact C-N 3.27Å; C137-S139 PolarHBondContact O-N 3.35Å; C137-C140 VanDerWaalsContact O-CB 3.24Å; C137-C140 WeakPolarHBondContact O-CB 3.37Å; C137-C140 PolarHBondContact O-N 3.35Å
138F90.1Very high91.1Very high0 Ų029.1 Ų29.10%015%0.148CC..Hα-helixtrans-59-38.4-179.7-172-119.2000112.9F132 S134 F135 C140 L141 L153 L158 L171 F172 W195F132-F138 HydrophobicContact CB-CB 4.2Å; F132-F138 HydrophobicContact CB-CD2 4.46Å; F132-F138 HydrophobicContact CD1-CB 4.1Å; F132-F138 AromaticContact CD1-CD2 3.81Å; F132-F138 HydrophobicContact CD1-CD2 3.81Å; F132-F138 HydrophobicContact CD1-CG 4.47Å; F132-F138 AromaticContact CD2-CD2 3.95Å; F132-F138 HydrophobicContact CD2-CD2 3.95Å; F132-F138 HydrophobicContact CD2-CE2 4.5Å; F132-F138 AromaticContact CE1-CD2 3.92Å; F132-F138 HydrophobicContact CE1-CD2 3.92Å; F132-F138 HydrophobicContact CE2-CD2 4.1Å; F132-F138 HydrophobicContact CE2-CE2 4.35Å; F132-F138 HydrophobicContact CG-CB 4.26Å; F132-F138 AromaticContact CG-CD2 3.82Å; F132-F138 HydrophobicContact CG-CD2 3.82Å; F132-F138 HydrophobicContact CG-CG 4.48Å; F132-F138 HydrophobicContact CZ-CD2 4.09Å; F132-F138 HydrophobicContact CZ-CE2 4.44Å; S134-F138 PolarHBondContact O-N 3.39Å; S134-F138 VanDerWaalsContact O-N 3.15Å; F135-F138 HydrophobicContact CD2-CD1 4.14Å; F135-F138 HydrophobicContact CE2-CD1 4.02Å; F135-F138 CarbonylContact O-C 3.59Å; F135-F138 PolarHBondContact O-N 3.26Å; F138-C140 PolarHBondContact O-N 3.1Å; F138-C140 VanDerWaalsContact O-N 3.16Å; F138-L141 HydrophobicContact CD2-CD1 3.72Å; F138-L141 HydrophobicContact CE2-CD1 3.32Å; F138-L141 HydrophobicContact CZ-CD1 3.92Å; F138-L141 WeakPolarHBondContact O-CB 3.21Å; F138-L141 VanDerWaalsContact O-CG 3.29Å; F138-L141 WeakPolarHBondContact O-CG 3.49Å; F138-L141 PolarHBondContact O-N 2.9Å; F138-L141 VanDerWaalsContact O-N 3.13Å; F138-L153 HydrophobicContact CE2-CD1 3.92Å; F138-L153 HydrophobicContact CZ-CD1 4.25Å; F138-L158 HydrophobicContact CB-CD1 3.99Å; F138-L158 HydrophobicContact CD1-CD2 4.33Å; F138-L158 HydrophobicContact CG-CD1 4.39Å; F138-L171 HydrophobicContact CD1-CD2 3.31Å; F138-L171 HydrophobicContact CE1-CD2 3.31Å; F138-L171 HydrophobicContact CG-CD2 4.19Å; F138-L171 HydrophobicContact CZ-CD2 4.14Å; F138-F172 HydrophobicContact CE1-CE2 4.08Å; F138-F172 HydrophobicContact CE1-CZ 4.43Å; F138-F172 AromaticContact CZ-CE2 4Å; F138-F172 HydrophobicContact CZ-CE2 4Å; F138-F172 AromaticContact CZ-CZ 3.9Å; F138-F172 HydrophobicContact CZ-CZ 3.9Å; F138-W195 AromaticContact CD2-CH2 3.99Å; F138-W195 HydrophobicContact CD2-CH2 3.99Å; F138-W195 HydrophobicContact CD2-CZ2 4.26Å; F138-W195 HydrophobicContact CE1-CE3 4.44Å; F138-W195 HydrophobicContact CE1-CH2 4.36Å; F138-W195 HydrophobicContact CE1-CZ3 4.16Å; F138-W195 HydrophobicContact CE2-CE3 4.47Å; F138-W195 AromaticContact CE2-CH2 3.08Å; F138-W195 HydrophobicContact CE2-CH2 3.08Å; F138-W195 AromaticContact CE2-CZ2 3.76Å; F138-W195 HydrophobicContact CE2-CZ2 3.76Å; F138-W195 AromaticContact CE2-CZ3 3.51Å; F138-W195 HydrophobicContact CE2-CZ3 3.51Å; F138-W195 AromaticContact CZ-CE3 3.87Å; F138-W195 HydrophobicContact CZ-CE3 3.87Å; F138-W195 AromaticContact CZ-CH2 3.33Å; F138-W195 HydrophobicContact CZ-CH2 3.33Å; F138-W195 HydrophobicContact CZ-CZ2 4.08Å; F138-W195 AromaticContact CZ-CZ3 3.19Å; F138-W195 HydrophobicContact CZ-CZ3 3.19Å
139S91.8Very high91.7Very high9 Ų930.9 Ų30.96%0.06316%0.159CC..Hα-helixtrans-64.5-19.7178.979.20000113.4F135 D136 C137 L141 R142F135-S139 VanDerWaalsContact O-CB 3.3Å; F135-S139 WeakPolarHBondContact O-CB 3.21Å; F135-S139 PolarHBondContact O-N 3.18Å; D136-S139 PolarHBondContact O-N 2.8Å; D136-S139 PolarHBondContact O-OG 3.5Å; C137-S139 VanDerWaalsContact C-N 3.27Å; C137-S139 PolarHBondContact O-N 3.35Å; S139-L141 PolarHBondContact O-N 2.85Å; S139-L141 VanDerWaalsContact O-N 3.15Å; S139-R142 WeakPolarHBondContact O-CG 3.39Å; S139-R142 PolarHBondContact O-N 3.05Å; S139-R142 VanDerWaalsContact O-N 3.1Å
140C95Very high92.4Very high3 Ų331.9 Ų31.92%0.0217%0.166CC..G310 helixtrans-65.9-13.5175.7-64.70000113L112 D136 C137 F138 R142 L143L112-C140 HydrophobicContact CB-CB 3.7Å; L112-C140 HydrophobicContact CD1-CB 4Å; D136-C140 PolarHBondContact O-N 3.32Å; D136-C140 PolarHBondContact O-SG 3.33Å; C137-C140 VanDerWaalsContact O-CB 3.24Å; C137-C140 WeakPolarHBondContact O-CB 3.37Å; C137-C140 PolarHBondContact O-N 3.35Å; F138-C140 PolarHBondContact O-N 3.1Å; F138-C140 VanDerWaalsContact O-N 3.16Å; C140-R142 PolarHBondContact O-N 3.25Å; C140-L143 HydrophobicContact CB-CD1 4.21Å; C140-L143 VanDerWaalsContact O-CB 3.29Å; C140-L143 WeakPolarHBondContact O-CB 3.47Å; C140-L143 PolarHBondContact O-N 3.14Å
141L94.3Very high92.9Very high0 Ų031.9 Ų31.90%017%0.166CC..G310 helixtrans-56.4-32.1169.5-70.9173.7000112.4L112 L125 F138 S139 L143 L144 L153 I175 Y179L112-L141 HydrophobicContact CD2-CD2 4.32Å; L125-L141 HydrophobicContact CD2-CD2 3.76Å; F138-L141 HydrophobicContact CD2-CD1 3.72Å; F138-L141 HydrophobicContact CE2-CD1 3.32Å; F138-L141 HydrophobicContact CZ-CD1 3.92Å; F138-L141 WeakPolarHBondContact O-CB 3.21Å; F138-L141 VanDerWaalsContact O-CG 3.29Å; F138-L141 WeakPolarHBondContact O-CG 3.49Å; F138-L141 PolarHBondContact O-N 2.9Å; F138-L141 VanDerWaalsContact O-N 3.13Å; S139-L141 PolarHBondContact O-N 2.85Å; S139-L141 VanDerWaalsContact O-N 3.15Å; L141-L143 PolarHBondContact O-N 3.25Å; L141-L144 HydrophobicContact CD2-CD1 3.98Å; L141-L144 WeakPolarHBondContact O-CG 3.46Å; L141-L144 PolarHBondContact O-N 2.88Å; L141-L153 HydrophobicContact CD1-CD1 3.67Å; L141-L153 HydrophobicContact CD1-CD2 4.43Å; L141-I175 HydrophobicContact CB-CD1 4.1Å; L141-Y179 PolarHBondContact O-OH 2.87Å
142R94.1Very high93.3Very high92 Ų9232 Ų3235%0.34717%0.167SC..G310 helixtrans-73.5-7.4175.386-163167.9-148.8-8.8113.7S139 C140 L171 I175 R178 Y179S139-R142 WeakPolarHBondContact O-CG 3.39Å; S139-R142 PolarHBondContact O-N 3.05Å; S139-R142 VanDerWaalsContact O-N 3.1Å; C140-R142 PolarHBondContact O-N 3.25Å; R142-L171 HydrophobicContact CB-CD1 3.84Å; R142-L171 HydrophobicContact CG-CD1 4.37Å; R142-I175 HydrophobicContact CB-CG1 4.24Å; R142-R178 VanDerWaalsContact O-CD 3.26Å; R142-R178 WeakPolarHBondContact O-CD 3.43Å; R142-R178 PolarHBondContact O-NH1 3.06Å; R142-Y179 PolarHBondContact O-OH 2.82Å
143L95.7Very high93.4Very high74 Ų7432 Ų3239%0.38717%0.167SC..G310 helixtrans-93.6-15-179.4-58.5179.3000112.4A116 C140 L141 R178A116-L143 HydrophobicContact CB-CB 4Å; A116-L143 WeakPolarHBondContact CB-O 3.35Å; C140-L143 HydrophobicContact CB-CD1 4.21Å; C140-L143 VanDerWaalsContact O-CB 3.29Å; C140-L143 WeakPolarHBondContact O-CB 3.47Å; C140-L143 PolarHBondContact O-N 3.14Å; L141-L143 PolarHBondContact O-N 3.25Å; L143-R178 PolarHBondContact O-NH1 2.91Å
144L96.7Very high93.4Very high0 Ų027.3 Ų27.30%015%0.151CC..SBendtrans-58159.1179-62.3171.3000112.3M115 L122 L125 L141 L148 R178 Y179M115-L144 HydrophobicContact CB-CD2 3.89Å; M115-L144 HydrophobicContact SD-CD2 4.48Å; L122-L144 HydrophobicContact CD2-CD2 4.35Å; L125-L144 HydrophobicContact CD2-CD1 3.43Å; L125-L144 VanDerWaalsContact CD2-CD1 3.43Å; L141-L144 HydrophobicContact CD2-CD1 3.98Å; L141-L144 WeakPolarHBondContact O-CG 3.46Å; L141-L144 PolarHBondContact O-N 2.88Å; L144-L148 HydrophobicContact CB-CD1 3.48Å; L144-L148 VanDerWaalsContact CB-CD1 3.48Å; L144-L148 HydrophobicContact CD1-CD1 3.85Å; L144-L148 HydrophobicContact CG-CD1 4.33Å; L144-R178 PolarHBondContact O-NH1 2.72Å; L144-Y179 WeakPolarHBondContact CB-OH 3.44Å; L144-Y179 PolarHBondContact N-OH 3.45Å; L144-Y179 VanDerWaalsContact N-OH 3.14Å; L144-Y179 VanDerWaalsContact O-CE1 3.27Å; L144-Y179 WeakPolarHBondContact O-CE1 3.46Å; L144-Y179 PolarHBondContact O-OH 3.2Å
145P95.7Very high93.2Very high14 Ų1426 Ų269%0.09114%0.14CC..  trans-57148.8-175.3-22.932.2000113.7C119 L122 C147 L148 Y179C119-P145 WeakPolarHBondContact O-CG 3.27Å; L122-P145 HydrophobicContact CB-CG 4.09Å; P145-C147 PolarHBondContact O-N 3.5Å; P145-L148 WeakPolarHBondContact O-CG 3.48Å; P145-L148 PolarHBondContact O-N 2.99Å; P145-Y179 WeakPolarHBondContact O-CE1 3.47Å
146T95.7Very high93.1Very high77 Ų7724.5 Ų24.547%0.47213%0.133SC..THydrogen-bonded Turntrans-71.6-12.1-178.452.40000113.7L148 R178T146-L148 PolarHBondContact O-N 3.35Å; T146-R178 HydrophobicContact CG2-CG 4.17Å
147C95.8Very high92.6Very high33 Ų3324.3 Ų24.322%0.22313%0.125CC..THydrogen-bonded Turntrans-772.4174.857.80000114.5S120 L122 P145 T149S120-C147 PolarHBondContact O-SG 2.81Å; S120-C147 VanDerWaalsContact O-SG 3.37Å; L122-C147 PolarHBondContact O-SG 3Å; P145-C147 PolarHBondContact O-N 3.5Å; C147-T149 PolarHBondContact O-N 2.98Å
148L97.6Very high92.2Very high0 Ų024.2 Ų24.20%012%0.124CC..  trans-59.3127.2176.5-83.4175.5000111.9L122 T123 L125 L144 P145 T146 I151 Y179L122-L148 HydrophobicContact CD2-CD2 4.26Å; L122-L148 HydrophobicContact CG-CD2 3.98Å; L122-L148 PolarHBondContact O-N 2.62Å; T123-L148 WeakPolarHBondContact O-CD2 3.47Å; L125-L148 HydrophobicContact CB-CD2 4.4Å; L144-L148 HydrophobicContact CB-CD1 3.48Å; L144-L148 VanDerWaalsContact CB-CD1 3.48Å; L144-L148 HydrophobicContact CD1-CD1 3.85Å; L144-L148 HydrophobicContact CG-CD1 4.33Å; P145-L148 WeakPolarHBondContact O-CG 3.48Å; P145-L148 PolarHBondContact O-N 2.99Å; T146-L148 PolarHBondContact O-N 3.35Å; L148-I151 HydrophobicContact CD1-CD1 4.06Å; L148-I151 HydrophobicContact CD1-CG1 4.11Å; L148-Y179 HydrophobicContact CB-CG 4.42Å; L148-Y179 HydrophobicContact CD1-CD2 4.4Å; L148-Y179 HydrophobicContact CD1-CE1 4.43Å; L148-Y179 HydrophobicContact CD1-CE2 4.02Å
149T98Very high91.6Very high39 Ų3926.1 Ų26.124%0.23914%0.135CC..  trans-111.2-19.7173.562.20000111.8T123 C147 K181 E183 Y184T123-T149 PolarHBondContact O-N 3.1Å; T123-T149 PolarHBondContact O-OG1 2.82Å; C147-T149 PolarHBondContact O-N 2.98Å; T149-K181 HydrophobicContact CG2-CB 4.46Å; T149-E183 WeakPolarHBondContact O-CA 3.34Å; T149-E183 PolarHBondContact O-N 3.1Å; T149-Y184 PolarHBondContact O-N 2.98Å
150S98.1Very high90.5Very high24 Ų2429.4 Ų29.417%0.16815%0.149CC..EExtended strand (participates in β ladder)trans-143.5129.6179.2-174.10000113T123 L125 Y184T123-S150 PolarHBondContact O-N 3.28Å; L125-S150 PolarHBondContact N-O 2.78Å; S150-Y184 WeakPolarHBondContact CA-O 3.38Å
151I95.9Very high89.1Confident1 Ų140.2 Ų40.21%0.00519%0.191CC..EExtended strand (participates in β ladder)trans-124.6118.2170.2-59.9172.5000108L125 L148 L153 I175 Y179 L182 Y184 L185 S186L125-I151 CarbonylContact O-C 3.57Å; L125-I151 WeakPolarHBondContact O-CA 3.37Å; L148-I151 HydrophobicContact CD1-CD1 4.06Å; L148-I151 HydrophobicContact CD1-CG1 4.11Å; I151-L153 HydrophobicContact CG2-CD1 4.45Å; I151-L153 HydrophobicContact CG2-CD2 4.48Å; I151-L153 HydrophobicContact CG2-CG 4.15Å; I151-I175 HydrophobicContact CD1-CG2 3.79Å; I151-Y179 HydrophobicContact CD1-CD2 3.87Å; I151-Y179 HydrophobicContact CD1-CE2 3.9Å; I151-L182 HydrophobicContact CB-CD1 4.47Å; I151-L182 HydrophobicContact CD1-CD1 4.13Å; I151-L182 HydrophobicContact CG1-CD1 3.97Å; I151-Y184 PolarHBondContact N-O 2.84Å; I151-L185 HydrophobicContact CB-CD1 4.01Å; I151-L185 HydrophobicContact CG2-CD1 4.11Å; I151-L185 CarbonylContact O-C 3.59Å; I151-L185 WeakPolarHBondContact O-CA 3.17Å; I151-S186 PolarHBondContact O-N 2.98Å
152S93.6Very high87.6Confident9 Ų943.1 Ų43.16%0.06322%0.221CC..EExtended strand (participates in β ladder)trans-127.3116.8177.4-171.10000110.5L125 Y126 L127 Q154 S186L125-S152 PolarHBondContact O-N 2.74Å; Y126-S152 CarbonylContact C-O 3.55Å; Y126-S152 WeakPolarHBondContact CA-O 3.35Å; Y126-S152 WeakPolarHBondContact CD2-OG 3.46Å; L127-S152 PolarHBondContact N-O 3.32Å; S152-Q154 WeakPolarHBondContact OG-CG 3.32Å; S152-S186 CarbonylContact C-O 3.58Å; S152-S186 WeakPolarHBondContact CA-O 3.46Å; S152-S186 WeakPolarHBondContact OG-CB 3.46Å; S152-S186 PolarHBondContact OG-OG 3.47Å
153L90.4Very high86.2Confident0 Ų039.4 Ų39.40%021%0.208CC..EExtended strand (participates in β ladder)trans-11774.4179.8-56.2175.6000107.8L127 F138 L141 I151 C156 S186 W195L127-L153 HydrophobicContact CB-CD2 4.07Å; L127-L153 HydrophobicContact CD1-CD2 3.93Å; L127-L153 HydrophobicContact CG-CD2 4.34Å; L127-L153 CarbonylContact O-C 3.54Å; L127-L153 WeakPolarHBondContact O-CA 3.48Å; F138-L153 HydrophobicContact CE2-CD1 3.92Å; F138-L153 HydrophobicContact CZ-CD1 4.25Å; L141-L153 HydrophobicContact CD1-CD1 3.67Å; L141-L153 HydrophobicContact CD1-CD2 4.43Å; I151-L153 HydrophobicContact CG2-CD1 4.45Å; I151-L153 HydrophobicContact CG2-CD2 4.48Å; I151-L153 HydrophobicContact CG2-CG 4.15Å; L153-C156 HydrophobicContact CB-CB 4.4Å; L153-S186 PolarHBondContact N-O 2.78Å; L153-W195 HydrophobicContact CD1-CH2 4.02Å; L153-W195 HydrophobicContact CD1-CZ3 4.03Å
154Q86.6Confident85.2Confident28 Ų2838.5 Ų38.513%0.13121%0.209CC..EExtended strand (participates in β ladder)trans-86124.3-176-58.4-165-9.500110.3Y126 L127 S128 G129 S152 C156 R188Y126-Q154 HydrophobicContact CE2-CG 3.95Å; Y126-Q154 VanDerWaalsContact OH-CD 3.31Å; Y126-Q154 PolarHBondContact OH-OE1 3.41Å; L127-Q154 PolarHBondContact O-N 2.79Å; S128-Q154 WeakPolarHBondContact CA-O 3.18Å; S128-Q154 WeakPolarHBondContact CB-O 3.45Å; S128-Q154 PolarHBondContact OG-O 2.98Å; G129-Q154 PolarHBondContact N-O 3.3Å; S152-Q154 WeakPolarHBondContact OG-CG 3.32Å; Q154-C156 PolarHBondContact O-N 2.91Å; Q154-R188 CarbonylContact C-O 3.52Å; Q154-R188 WeakPolarHBondContact CA-O 3.29Å; Q154-R188 HydrophobicContact CG-CB 4.3Å
155W83.5Confident84.5Confident10 Ų1041.1 Ų41.14%0.03822%0.224CC..THydrogen-bonded Turntrans59.642.6174.3-52.1103.5000110.7I91 R96 F101 G129 R188 G189 E217I91-W155 HydrophobicContact CD1-CB 3.27Å; I91-W155 HydrophobicContact CD1-CG 3.93Å; R96-W155 HydrophobicContact CG-CZ2 4.4Å; F101-W155 AromaticContact CD2-CE3 3.8Å; F101-W155 HydrophobicContact CD2-CE3 3.8Å; F101-W155 HydrophobicContact CD2-CZ3 4.41Å; F101-W155 HydrophobicContact CE1-CB 4.43Å; F101-W155 HydrophobicContact CE2-CB 3.5Å; F101-W155 HydrophobicContact CE2-CD2 4.07Å; F101-W155 AromaticContact CE2-CE3 3.71Å; F101-W155 HydrophobicContact CE2-CE3 3.71Å; F101-W155 HydrophobicContact CE2-CG 4.04Å; F101-W155 HydrophobicContact CZ-CB 3.41Å; F101-W155 VanDerWaalsContact CZ-CB 3.41Å; F101-W155 HydrophobicContact CZ-CE3 4.34Å; F101-W155 HydrophobicContact CZ-CG 4.39Å; F101-W155 WeakPolarHBondContact CZ-O 3.4Å; G129-W155 VanDerWaalsContact CA-O 3.24Å; G129-W155 WeakPolarHBondContact CA-O 3.47Å; G129-W155 PolarHBondContact N-O 3.06Å; W155-R188 PolarHBondContact N-O 3.15Å; W155-G189 VanDerWaalsContact CE3-CA 3.48Å; W155-E217 HydrophobicContact CH2-CB 4Å; W155-E217 HydrophobicContact CH2-CG 4.4Å; W155-E217 WeakPolarHBondContact CH2-OE2 3.06Å; W155-E217 HydrophobicContact CZ2-CB 4.49Å
156C84.6Confident84Confident0 Ų045.5 Ų45.50%025%0.25CS..  trans-97.8154174.7-70.30000110F130 F132 L153 Q154 W195F130-C156 CarbonylContact O-C 3.6Å; F130-C156 VanDerWaalsContact O-CA 3.23Å; F130-C156 WeakPolarHBondContact O-CA 3.29Å; F132-C156 HydrophobicContact CE2-CB 4.08Å; L153-C156 HydrophobicContact CB-CB 4.4Å; Q154-C156 PolarHBondContact O-N 2.91Å; C156-W195 HydrophobicContact CB-CH2 4.09Å; C156-W195 HydrophobicContact CB-CZ2 4.05Å
157R81.2Confident83.6Confident93 Ų9343.8 Ų43.835%0.35124%0.242SC..EExtended strand (participates in β ladder)trans-125.7149.6179.6-164.6179.5176.2-139.5-1.9110.8A103 F130 V131 F132 D159 Y192A103-R157 HydrophobicContact CB-CB 4.07Å; F130-R157 PolarHBondContact O-N 3.13Å; V131-R157 CarbonylContact C-O 3.57Å; V131-R157 WeakPolarHBondContact CA-O 3.42Å; V131-R157 HydrophobicContact CG2-CB 4.47Å; F132-R157 WeakPolarHBondContact CD2-O 3.2Å; F132-R157 PolarHBondContact N-O 3.25Å; R157-D159 WeakPolarHBondContact CD-OD1 3.49Å; R157-D159 WeakPolarHBondContact CG-OD1 3.49Å; R157-D159 IonicContact CZ-OD1 2.64Å; R157-D159 IonicContact CZ-OD2 2.69Å; R157-D159 IonicContact NE-OD1 3.92Å; R157-D159 PolarHBondContact NE-OD1 3.1Å; R157-D159 IonicContact NH1-OD1 3.89Å; R157-D159 PolarHBondContact NH1-OD1 2.67Å; R157-D159 IonicContact NH1-OD2 2.86Å; R157-D159 PolarHBondContact NH1-OD2 3.42Å; R157-D159 IonicContact NH2-OD1 2.65Å; R157-Y192 WeakPolarHBondContact CG-O 3.43Å; R157-Y192 PolarHBondContact NE-O 2.97Å
158L81.4Confident83.3Confident2 Ų242.2 Ų42.21%0.0123%0.231CC..EExtended strand (participates in β ladder)trans-120.298.6175.617862000105.3F132 F135 F138 H160 P163 W195F132-L158 HydrophobicContact CB-CD1 3.79Å; F132-L158 CarbonylContact O-C 3.6Å; F132-L158 WeakPolarHBondContact O-CA 3.08Å; F135-L158 HydrophobicContact CD2-CD2 4.18Å; F138-L158 HydrophobicContact CB-CD1 3.99Å; F138-L158 HydrophobicContact CD1-CD2 4.33Å; F138-L158 HydrophobicContact CG-CD1 4.39Å; L158-H160 HydrophobicContact CD1-CB 4.09Å; L158-H160 HydrophobicContact CG-CB 4.14Å; L158-H160 PolarHBondContact O-N 2.74Å; L158-P163 HydrophobicContact CD2-CG 3.72Å; L158-W195 HydrophobicContact CB-CG 4.43Å; L158-W195 HydrophobicContact CB-CZ2 4.19Å
159D77.4Confident82.9Confident41 Ų4142.6 Ų42.622%0.21923%0.233CC..  trans-84.751.3-178.8-81.418.4000109.6V131 F132 R133 R157V131-D159 HydrophobicContact CG1-CB 3.8Å; V131-D159 VanDerWaalsContact CG1-CG 3.45Å; F132-D159 PolarHBondContact O-N 3.29Å; R133-D159 IonicContact CZ-OD2 2.85Å; R133-D159 IonicContact NH1-OD2 2.77Å; R133-D159 PolarHBondContact NH1-OD2 3.08Å; R157-D159 WeakPolarHBondContact CD-OD1 3.49Å; R157-D159 WeakPolarHBondContact CG-OD1 3.49Å; R157-D159 IonicContact CZ-OD1 2.64Å; R157-D159 IonicContact CZ-OD2 2.69Å; R157-D159 IonicContact NE-OD1 3.92Å; R157-D159 PolarHBondContact NE-OD1 3.1Å; R157-D159 IonicContact NH1-OD1 3.89Å; R157-D159 PolarHBondContact NH1-OD1 2.67Å; R157-D159 IonicContact NH1-OD2 2.86Å; R157-D159 PolarHBondContact NH1-OD2 3.42Å; R157-D159 IonicContact NH2-OD1 2.65Å
160H70.3Confident82.6Confident77 Ų7743.4 Ų43.436%0.35624%0.24SC..  trans-126.4116.8176.9-167.457.9000108.1L158 G162 P163 C194L158-H160 HydrophobicContact CD1-CB 4.09Å; L158-H160 HydrophobicContact CG-CB 4.14Å; L158-H160 PolarHBondContact O-N 2.74Å; H160-G162 PolarHBondContact O-N 3.36Å; H160-P163 VanDerWaalsContact O-CD 3.25Å; H160-P163 WeakPolarHBondContact O-CD 3.33Å; H160-C194 PolarHBondContact O-SG 3.24Å
161Y65.5Low82.3Confident230 Ų23042.3 Ų42.390%0.90223%0.232SC*.SBendtrans-61.6120.3167.4-83.2-87.3000108.1
162G61.3Low82.2Confident61 Ų6142.3 Ų42.363%0.62923%0.233SC*.  trans88.421.7158.300000120.8H160 S164 C194H160-G162 PolarHBondContact O-N 3.36Å; G162-S164 PolarHBondContact O-N 2.89Å; G162-S164 VanDerWaalsContact O-N 3.09Å; G162-C194 PolarHBondContact N-SG 3.19Å; G162-C194 VanDerWaalsContact N-SG 3.43Å
163P64.8Low82.2Confident14 Ų1446.3 Ų46.39%0.09125%0.249CC..  trans-57.3126.1154.629-29.3000106.7F135 L158 H160 V168 C194F135-P163 HydrophobicContact CB-CB 4.1Å; F135-P163 HydrophobicContact CD2-CB 3.55Å; F135-P163 HydrophobicContact CD2-CG 4.23Å; F135-P163 HydrophobicContact CE2-CB 4.14Å; F135-P163 HydrophobicContact CG-CB 3.84Å; L158-P163 HydrophobicContact CD2-CG 3.72Å; H160-P163 VanDerWaalsContact O-CD 3.25Å; H160-P163 WeakPolarHBondContact O-CD 3.33Å; P163-V168 HydrophobicContact CB-CG2 4.29Å; P163-V168 HydrophobicContact CG-CG2 4.45Å; P163-C194 HydrophobicContact CG-CB 3.41Å; P163-C194 VanDerWaalsContact CG-CB 3.41Å
164S76Confident82.3Confident56 Ų5649 Ų4939%0.39226%0.263SS..  trans-61.2150.7175.674.40000108.6G162 V166 S167 V168G162-S164 PolarHBondContact O-N 2.89Å; G162-S164 VanDerWaalsContact O-N 3.09Å; S164-V166 PolarHBondContact O-N 3.16Å; S164-V166 VanDerWaalsContact O-N 3.13Å; S164-V166 WeakPolarHBondContact OG-CB 3.37Å; S164-V166 PolarHBondContact OG-N 3.04Å; S164-S167 WeakPolarHBondContact O-CA 3.42Å; S164-S167 WeakPolarHBondContact O-CB 3.24Å; S164-S167 PolarHBondContact O-N 3.46Å; S164-S167 PolarHBondContact OG-N 3.29Å; S164-S167 PolarHBondContact OG-OG 3.2Å; S164-V168 PolarHBondContact O-N 3.15Å
165V81.1Confident82.7Confident54 Ų5447.7 Ų47.733%0.32726%0.257SS..Hα-helixtrans-45.9-42.3168.2-176.30000110.4S167 V168 D169 L196 T198V165-S167 VanDerWaalsContact C-N 3.33Å; V165-S167 PolarHBondContact O-N 2.74Å; V165-V168 PolarHBondContact O-N 3.27Å; V165-D169 WeakPolarHBondContact O-CB 3.44Å; V165-D169 PolarHBondContact O-N 2.84Å; V165-L196 HydrophobicContact CB-CB 4.4Å; V165-L196 HydrophobicContact CB-CD2 4.06Å; V165-L196 HydrophobicContact CG1-CB 4.16Å; V165-L196 HydrophobicContact CG1-CD2 3.65Å; V165-L196 HydrophobicContact CG1-CG 4.15Å; V165-L196 HydrophobicContact CG2-CB 3.89Å; V165-L196 HydrophobicContact CG2-CD2 3.26Å; V165-L196 HydrophobicContact CG2-CG 4.12Å; V165-T198 HydrophobicContact CG1-CG2 3.61Å
166V85.3Confident83.2Confident106 Ų10647.3 Ų47.364%0.64226%0.256SS*.Hα-helixtrans-60.7-39.9178.4-176.80000111.8S164 S170S164-V166 PolarHBondContact O-N 3.16Å; S164-V166 VanDerWaalsContact O-N 3.13Å; S164-V166 WeakPolarHBondContact OG-CB 3.37Å; S164-V166 PolarHBondContact OG-N 3.04Å; V166-S170 WeakPolarHBondContact O-CB 3.23Å; V166-S170 PolarHBondContact O-N 3.09Å
167S88.5Confident83.7Confident41 Ų4153 Ų5329%0.28729%0.285SS..Hα-helixtrans-65.8-44.6178.2-54.20000111.3F135 S164 V165 S170 L171F135-S167 VanDerWaalsContact CZ-O 3.3Å; F135-S167 WeakPolarHBondContact CZ-O 3.46Å; S164-S167 WeakPolarHBondContact O-CA 3.42Å; S164-S167 WeakPolarHBondContact O-CB 3.24Å; S164-S167 PolarHBondContact O-N 3.46Å; S164-S167 PolarHBondContact OG-N 3.29Å; S164-S167 PolarHBondContact OG-OG 3.2Å; V165-S167 VanDerWaalsContact C-N 3.33Å; V165-S167 PolarHBondContact O-N 2.74Å; S167-S170 PolarHBondContact O-N 3.45Å; S167-L171 PolarHBondContact O-N 3.04Å
168V88.2Confident84.4Confident1 Ų153.4 Ų53.41%0.00629%0.287CS..Hα-helixtrans-64.4-48.5177.1178.40000110.4F135 P163 S164 V165 S170 L171 F172 C194F135-V168 HydrophobicContact CE2-CG2 4.1Å; P163-V168 HydrophobicContact CB-CG2 4.29Å; P163-V168 HydrophobicContact CG-CG2 4.45Å; S164-V168 PolarHBondContact O-N 3.15Å; V165-V168 PolarHBondContact O-N 3.27Å; V168-S170 VanDerWaalsContact C-N 3.32Å; V168-S170 PolarHBondContact O-N 2.77Å; V168-L171 WeakPolarHBondContact O-CB 3.45Å; V168-L171 PolarHBondContact O-N 3.33Å; V168-F172 HydrophobicContact CG1-CD2 3.95Å; V168-F172 HydrophobicContact CG1-CE2 3.94Å; V168-F172 WeakPolarHBondContact O-CD2 3.28Å; V168-F172 PolarHBondContact O-N 2.83Å; V168-F172 VanDerWaalsContact O-N 3.11Å; V168-C194 WeakPolarHBondContact CG2-O 3.46Å
169D90.1Very high85Confident8 Ų853.3 Ų53.34%0.04329%0.287CS..Hα-helixtrans-59.8-42.9177.2-73.8-21.7000111.6V165 L171 F172 K173 M197 T198 N200 A201V165-D169 WeakPolarHBondContact O-CB 3.44Å; V165-D169 PolarHBondContact O-N 2.84Å; D169-L171 VanDerWaalsContact C-N 3.34Å; D169-L171 PolarHBondContact O-N 3.03Å; D169-F172 PolarHBondContact O-N 2.8Å; D169-K173 VanDerWaalsContact O-CB 3.29Å; D169-K173 WeakPolarHBondContact O-CB 2.88Å; D169-K173 PolarHBondContact O-N 3.12Å; D169-M197 WeakPolarHBondContact OD1-CA 3.14Å; D169-T198 PolarHBondContact OD1-N 3.16Å; D169-T198 PolarHBondContact OD2-OG1 3.44Å; D169-N200 HydrophobicContact CB-CB 4.19Å; D169-A201 HydrophobicContact CB-CB 4.37Å
170S91.8Very high85.8Confident55 Ų5556.2 Ų56.239%0.38530%0.302SS..Hα-helixtrans-61.2-41.7176.4-170.40000112V166 S167 V168 K173 D174V166-S170 WeakPolarHBondContact O-CB 3.23Å; V166-S170 PolarHBondContact O-N 3.09Å; S167-S170 PolarHBondContact O-N 3.45Å; V168-S170 VanDerWaalsContact C-N 3.32Å; V168-S170 PolarHBondContact O-N 2.77Å; S170-K173 PolarHBondContact O-N 3.3Å; S170-D174 PolarHBondContact O-N 3.02Å
171L91.8Very high87.1Confident1 Ų158.2 Ų58.21%0.00531%0.31CS..Hα-helixtrans-61.5-47.5177.5172.163.4000111.5F135 F138 R142 S167 V168 D169 K173 D174 I175F135-L171 HydrophobicContact CE2-CD2 4.21Å; F135-L171 HydrophobicContact CZ-CB 4.13Å; F135-L171 HydrophobicContact CZ-CD2 4.29Å; F138-L171 HydrophobicContact CD1-CD2 3.31Å; F138-L171 HydrophobicContact CE1-CD2 3.31Å; F138-L171 HydrophobicContact CG-CD2 4.19Å; F138-L171 HydrophobicContact CZ-CD2 4.14Å; R142-L171 HydrophobicContact CB-CD1 3.84Å; R142-L171 HydrophobicContact CG-CD1 4.37Å; S167-L171 PolarHBondContact O-N 3.04Å; V168-L171 WeakPolarHBondContact O-CB 3.45Å; V168-L171 PolarHBondContact O-N 3.33Å; D169-L171 VanDerWaalsContact C-N 3.34Å; D169-L171 PolarHBondContact O-N 3.03Å; L171-K173 VanDerWaalsContact C-N 3.31Å; L171-D174 WeakPolarHBondContact O-CB 3.45Å; L171-D174 PolarHBondContact O-N 2.73Å; L171-I175 HydrophobicContact CD1-CD1 4.23Å; L171-I175 HydrophobicContact CD1-CG1 4.44Å; L171-I175 HydrophobicContact CG-CD1 4.13Å; L171-I175 VanDerWaalsContact O-CG1 3.32Å; L171-I175 WeakPolarHBondContact O-CG1 3.37Å; L171-I175 PolarHBondContact O-N 2.79Å
172F92.6Very high88.6Confident2 Ų247.3 Ų47.31%0.00927%0.267CS..Hα-helixtrans-68.9-33.6179.3-79.7-77000112F138 V168 D169 I175 M176 L185 V187 W195 M197 A201F138-F172 HydrophobicContact CE1-CE2 4.08Å; F138-F172 HydrophobicContact CE1-CZ 4.43Å; F138-F172 AromaticContact CZ-CE2 4Å; F138-F172 HydrophobicContact CZ-CE2 4Å; F138-F172 AromaticContact CZ-CZ 3.9Å; F138-F172 HydrophobicContact CZ-CZ 3.9Å; V168-F172 HydrophobicContact CG1-CD2 3.95Å; V168-F172 HydrophobicContact CG1-CE2 3.94Å; V168-F172 WeakPolarHBondContact O-CD2 3.28Å; V168-F172 PolarHBondContact O-N 2.83Å; V168-F172 VanDerWaalsContact O-N 3.11Å; D169-F172 PolarHBondContact O-N 2.8Å; F172-I175 HydrophobicContact CD1-CD1 4.19Å; F172-I175 HydrophobicContact CE1-CD1 4.4Å; F172-I175 WeakPolarHBondContact O-CB 3.12Å; F172-I175 PolarHBondContact O-N 3.44Å; F172-M176 VanDerWaalsContact O-CG 3.24Å; F172-M176 WeakPolarHBondContact O-CG 3.47Å; F172-M176 PolarHBondContact O-N 3.41Å; F172-L185 HydrophobicContact CD1-CD1 4.48Å; F172-L185 HydrophobicContact CD1-CD2 3.87Å; F172-L185 HydrophobicContact CE1-CD1 4.12Å; F172-L185 HydrophobicContact CE1-CD2 4.12Å; F172-V187 HydrophobicContact CE1-CG2 3.82Å; F172-V187 HydrophobicContact CZ-CG2 3.82Å; F172-W195 HydrophobicContact CZ-CZ3 4.33Å; F172-M197 HydrophobicContact CB-CE 4.42Å; F172-M197 HydrophobicContact CD1-CE 3.72Å; F172-M197 HydrophobicContact CD2-CE 3.23Å; F172-M197 HydrophobicContact CD2-SD 4.41Å; F172-M197 HydrophobicContact CE1-CE 3.65Å; F172-M197 HydrophobicContact CE2-CE 3.15Å; F172-M197 HydrophobicContact CG-CE 3.51Å; F172-M197 HydrophobicContact CG-SD 4.4Å; F172-M197 HydrophobicContact CZ-CE 3.36Å; F172-A201 HydrophobicContact CB-CB 3.78Å
173K93.4Very high90.3Very high92 Ų9247 Ų4740%0.425%0.249SC..Hα-helixtrans-61.6-43.2170.9-173.6-179.3176.9-174.60111.9D169 S170 L171 M176 L177 A201 C205D169-K173 VanDerWaalsContact O-CB 3.29Å; D169-K173 WeakPolarHBondContact O-CB 2.88Å; D169-K173 PolarHBondContact O-N 3.12Å; S170-K173 PolarHBondContact O-N 3.3Å; L171-K173 VanDerWaalsContact C-N 3.31Å; K173-M176 PolarHBondContact O-N 2.88Å; K173-L177 WeakPolarHBondContact O-CB 3.25Å; K173-L177 PolarHBondContact O-N 2.92Å; K173-A201 WeakPolarHBondContact CA-O 3.49Å; K173-A201 PolarHBondContact N-O 3.43Å; K173-C205 HydrophobicContact CG-CB 4.35Å
174D94.1Very high91.9Very high57 Ų5750.2 Ų50.231%0.30526%0.26SS..Hα-helixtrans-63.1-41.9175.3-67.5-18000111.5S170 L171 L177 R178S170-D174 PolarHBondContact O-N 3.02Å; L171-D174 WeakPolarHBondContact O-CB 3.45Å; L171-D174 PolarHBondContact O-N 2.73Å; D174-L177 PolarHBondContact O-N 2.87Å; D174-R178 WeakPolarHBondContact O-CB 3.42Å; D174-R178 PolarHBondContact O-N 2.74Å
175I94.5Very high92.8Very high0 Ų047.6 Ų47.60%024%0.242CC..Hα-helixtrans-58.6-49.5174.8-74.1172.2000110.1L141 R142 I151 L171 F172 L177 R178 Y179 L182L141-I175 HydrophobicContact CB-CD1 4.1Å; R142-I175 HydrophobicContact CB-CG1 4.24Å; I151-I175 HydrophobicContact CD1-CG2 3.79Å; L171-I175 HydrophobicContact CD1-CD1 4.23Å; L171-I175 HydrophobicContact CD1-CG1 4.44Å; L171-I175 HydrophobicContact CG-CD1 4.13Å; L171-I175 VanDerWaalsContact O-CG1 3.32Å; L171-I175 WeakPolarHBondContact O-CG1 3.37Å; L171-I175 PolarHBondContact O-N 2.79Å; F172-I175 HydrophobicContact CD1-CD1 4.19Å; F172-I175 HydrophobicContact CE1-CD1 4.4Å; F172-I175 WeakPolarHBondContact O-CB 3.12Å; F172-I175 PolarHBondContact O-N 3.44Å; I175-L177 VanDerWaalsContact C-N 3.34Å; I175-L177 PolarHBondContact O-N 3.25Å; I175-R178 PolarHBondContact O-N 2.84Å; I175-Y179 HydrophobicContact CB-CD2 4.26Å; I175-Y179 HydrophobicContact CB-CE2 4.27Å; I175-Y179 HydrophobicContact CG1-CE2 4.15Å; I175-Y179 HydrophobicContact CG2-CD2 3.63Å; I175-Y179 HydrophobicContact CG2-CE2 3.93Å; I175-Y179 WeakPolarHBondContact O-CB 3.44Å; I175-Y179 VanDerWaalsContact O-CD2 3.28Å; I175-Y179 WeakPolarHBondContact O-CD2 3.49Å; I175-Y179 PolarHBondContact O-N 2.97Å; I175-L182 HydrophobicContact CG2-CD2 4.19Å
176M94.2Very high93.4Very high3 Ų345.6 Ų45.62%0.01523%0.23CC..Hα-helixtrans-63.6-39.3179.5-69.1-63.3167.300112.6F172 K173 L182 L185 F202 C205 P207 M210F172-M176 VanDerWaalsContact O-CG 3.24Å; F172-M176 WeakPolarHBondContact O-CG 3.47Å; F172-M176 PolarHBondContact O-N 3.41Å; K173-M176 PolarHBondContact O-N 2.88Å; M176-L182 HydrophobicContact CE-CD2 4.03Å; M176-L182 HydrophobicContact SD-CD2 3.84Å; M176-L185 HydrophobicContact CE-CB 3.99Å; M176-L185 HydrophobicContact CE-CD2 3.18Å; M176-L185 HydrophobicContact CE-CG 4.13Å; M176-F202 HydrophobicContact CE-CE1 4.46Å; M176-C205 CarbonylContact C-O 3.59Å; M176-C205 HydrophobicContact CB-CB 4.49Å; M176-C205 WeakPolarHBondContact CB-O 3.45Å; M176-P207 VanDerWaalsContact SD-CD 3.53Å; M176-P207 HydrophobicContact SD-CG 4.18Å; M176-M210 HydrophobicContact CE-CE 3.34Å; M176-M210 HydrophobicContact SD-CE 3.32Å; M176-M210 WeakPolarHBondContact SD-CE 3.34Å
177L93.7Very high93.6Very high118 Ų11840.5 Ų40.562%0.61820%0.199SC*.Hα-helixtrans-70.1-38.8178-177.365.5000112.3K173 D174 I175 C205K173-L177 WeakPolarHBondContact O-CB 3.25Å; K173-L177 PolarHBondContact O-N 2.92Å; D174-L177 PolarHBondContact O-N 2.87Å; I175-L177 VanDerWaalsContact C-N 3.34Å; I175-L177 PolarHBondContact O-N 3.25Å; L177-C205 HydrophobicContact CB-CB 4.31Å
178R95.4Very high93.5Very high103 Ų10342 Ų4239%0.38920%0.199SC..Hα-helixtrans-81-33.3-174.9-171.9174.3-171.2-128.5-6.2113R142 L143 L144 T146 D174 I175R142-R178 VanDerWaalsContact O-CD 3.26Å; R142-R178 WeakPolarHBondContact O-CD 3.43Å; R142-R178 PolarHBondContact O-NH1 3.06Å; L143-R178 PolarHBondContact O-NH1 2.91Å; L144-R178 PolarHBondContact O-NH1 2.72Å; T146-R178 HydrophobicContact CG2-CG 4.17Å; D174-R178 WeakPolarHBondContact O-CB 3.42Å; D174-R178 PolarHBondContact O-N 2.74Å; I175-R178 PolarHBondContact O-N 2.84Å
179Y95.8Very high93.1Very high0 Ų042 Ų420%020%0.198CC..  trans-104.374.8-175.6-52.3-38.1000110.2L141 R142 L144 P145 L148 I151 I175 K181 L182L141-Y179 PolarHBondContact O-OH 2.87Å; R142-Y179 PolarHBondContact O-OH 2.82Å; L144-Y179 WeakPolarHBondContact CB-OH 3.44Å; L144-Y179 PolarHBondContact N-OH 3.45Å; L144-Y179 VanDerWaalsContact N-OH 3.14Å; L144-Y179 VanDerWaalsContact O-CE1 3.27Å; L144-Y179 WeakPolarHBondContact O-CE1 3.46Å; L144-Y179 PolarHBondContact O-OH 3.2Å; P145-Y179 WeakPolarHBondContact O-CE1 3.47Å; L148-Y179 HydrophobicContact CB-CG 4.42Å; L148-Y179 HydrophobicContact CD1-CD2 4.4Å; L148-Y179 HydrophobicContact CD1-CE1 4.43Å; L148-Y179 HydrophobicContact CD1-CE2 4.02Å; I151-Y179 HydrophobicContact CD1-CD2 3.87Å; I151-Y179 HydrophobicContact CD1-CE2 3.9Å; I175-Y179 HydrophobicContact CB-CD2 4.26Å; I175-Y179 HydrophobicContact CB-CE2 4.27Å; I175-Y179 HydrophobicContact CG1-CE2 4.15Å; I175-Y179 HydrophobicContact CG2-CD2 3.63Å; I175-Y179 HydrophobicContact CG2-CE2 3.93Å; I175-Y179 WeakPolarHBondContact O-CB 3.44Å; I175-Y179 VanDerWaalsContact O-CD2 3.28Å; I175-Y179 WeakPolarHBondContact O-CD2 3.49Å; I175-Y179 PolarHBondContact O-N 2.97Å; Y179-K181 PolarHBondContact O-N 3.05Å; Y179-K181 VanDerWaalsContact O-N 3.17Å; Y179-L182 WeakPolarHBondContact O-CB 3.35Å; Y179-L182 PolarHBondContact O-N 2.78Å
180D94.1Very high92Very high101 Ų10141.6 Ų41.654%0.5420%0.196SC..THydrogen-bonded Turntrans-59.1-23.8179.165.7-36.5000113.8S209D180-S209 PolarHBondContact O-OG 2.84Å
181K96.1Very high90Very high120 Ų12039.5 Ų39.552%0.52218%0.182SC..THydrogen-bonded Turntrans-945.3176-62.1178.9-175.5177.90114.3T149 Y179 E183T149-K181 HydrophobicContact CG2-CB 4.46Å; Y179-K181 PolarHBondContact O-N 3.05Å; Y179-K181 VanDerWaalsContact O-N 3.17Å; K181-E183 PolarHBondContact O-N 2.79Å; K181-E183 VanDerWaalsContact O-N 3.1Å
182L97.5Very high88Confident0 Ų048.3 Ų48.30%022%0.216CC..  trans-66.6110.7-177.8-173.470.4000110.8I151 I175 M176 Y179 L185 P207 S209 M210I151-L182 HydrophobicContact CB-CD1 4.47Å; I151-L182 HydrophobicContact CD1-CD1 4.13Å; I151-L182 HydrophobicContact CG1-CD1 3.97Å; I175-L182 HydrophobicContact CG2-CD2 4.19Å; M176-L182 HydrophobicContact CE-CD2 4.03Å; M176-L182 HydrophobicContact SD-CD2 3.84Å; Y179-L182 WeakPolarHBondContact O-CB 3.35Å; Y179-L182 PolarHBondContact O-N 2.78Å; L182-L185 HydrophobicContact CD2-CB 4.44Å; L182-P207 HydrophobicContact CB-CG 4.16Å; L182-S209 PolarHBondContact O-OG 2.7Å; L182-M210 WeakPolarHBondContact O-CA 3.45Å; L182-M210 PolarHBondContact O-N 3.02Å
183E97.9Very high86.2Confident56 Ų5649.6 Ų49.626%0.26223%0.229SC..  trans-91.6-36.6178.6-57.1-167.5160.500111.8T149 K181 K211 G212T149-E183 WeakPolarHBondContact O-CA 3.34Å; T149-E183 PolarHBondContact O-N 3.1Å; K181-E183 PolarHBondContact O-N 2.79Å; K181-E183 VanDerWaalsContact O-N 3.1Å; E183-K211 HydrophobicContact CB-CB 4.45Å; E183-K211 HydrophobicContact CB-CD 4.26Å; E183-K211 HydrophobicContact CB-CG 4.33Å; E183-K211 HydrophobicContact CG-CD 4.45Å; E183-K211 CarbonylContact O-C 3.58Å; E183-K211 WeakPolarHBondContact O-CA 3.41Å; E183-K211 PolarHBondContact O-N 2.85Å; E183-K211 WeakPolarHBondContact OE1-CE 3.49Å; E183-K211 IonicContact OE1-NZ 3.54Å; E183-K211 PolarHBondContact OE1-NZ 2.98Å; E183-K211 WeakPolarHBondContact OE2-CE 3.32Å; E183-K211 IonicContact OE2-NZ 3.27Å; E183-K211 PolarHBondContact OE2-NZ 3.2Å; E183-G212 PolarHBondContact O-N 3Å
184Y97.9Very high84.3Confident80 Ų8047.3 Ų47.331%0.31423%0.225SC..EExtended strand (participates in β ladder)trans-130.8121.9-173.8-69.7-88000112.2T149 S150 I151 K211 G212T149-Y184 PolarHBondContact O-N 2.98Å; S150-Y184 WeakPolarHBondContact CA-O 3.38Å; I151-Y184 PolarHBondContact N-O 2.84Å; Y184-K211 HydrophobicContact CE1-CB 4.27Å; Y184-K211 HydrophobicContact CE2-CB 4.07Å; Y184-K211 HydrophobicContact CE2-CD 4.22Å; Y184-G212 WeakPolarHBondContact CA-O 3.28Å
185L95.2Very high83Confident2 Ų244.8 Ų44.81%0.0121%0.211CC..EExtended strand (participates in β ladder)trans-116.3125.2166.5179.666.5000110.2I151 F172 M176 L182 V187 G212 L213 D214I151-L185 HydrophobicContact CB-CD1 4.01Å; I151-L185 HydrophobicContact CG2-CD1 4.11Å; I151-L185 CarbonylContact O-C 3.59Å; I151-L185 WeakPolarHBondContact O-CA 3.17Å; F172-L185 HydrophobicContact CD1-CD1 4.48Å; F172-L185 HydrophobicContact CD1-CD2 3.87Å; F172-L185 HydrophobicContact CE1-CD1 4.12Å; F172-L185 HydrophobicContact CE1-CD2 4.12Å; M176-L185 HydrophobicContact CE-CB 3.99Å; M176-L185 HydrophobicContact CE-CD2 3.18Å; M176-L185 HydrophobicContact CE-CG 4.13Å; L182-L185 HydrophobicContact CD2-CB 4.44Å; L185-V187 HydrophobicContact CD1-CG2 4.28Å; L185-V187 HydrophobicContact CG-CG2 4.36Å; L185-G212 PolarHBondContact N-O 3.41Å; L185-L213 HydrophobicContact CB-CD1 4.18Å; L185-L213 HydrophobicContact CD2-CD1 4.1Å; L185-L213 HydrophobicContact CG-CD1 4.27Å; L185-L213 CarbonylContact O-C 3.55Å; L185-L213 WeakPolarHBondContact O-CA 3.3Å; L185-D214 PolarHBondContact O-N 3.27Å
186S92.7Very high82Confident11 Ų1146.8 Ų46.88%0.07722%0.222CC..EExtended strand (participates in β ladder)trans-128126.7173.9172.50000110.2I151 S152 L153 D214I151-S186 PolarHBondContact O-N 2.98Å; S152-S186 CarbonylContact C-O 3.58Å; S152-S186 WeakPolarHBondContact CA-O 3.46Å; S152-S186 WeakPolarHBondContact OG-CB 3.46Å; S152-S186 PolarHBondContact OG-OG 3.47Å; L153-S186 PolarHBondContact N-O 2.78Å; S186-D214 CarbonylContact C-O 3.58Å; S186-D214 WeakPolarHBondContact CA-O 3.26Å; S186-D214 PolarHBondContact OG-OD2 3.48Å
187V89.3Confident81.4Confident0 Ų046.8 Ų46.80%022%0.221CC..  trans-128.648.7171.8-168.20000107.7F172 L185 S190 W195 M197 D214 L215 N218F172-V187 HydrophobicContact CE1-CG2 3.82Å; F172-V187 HydrophobicContact CZ-CG2 3.82Å; L185-V187 HydrophobicContact CD1-CG2 4.28Å; L185-V187 HydrophobicContact CG-CG2 4.36Å; V187-S190 VanDerWaalsContact CG1-OG 3.31Å; V187-S190 WeakPolarHBondContact CG1-OG 3.25Å; V187-W195 HydrophobicContact CG1-CE3 3.6Å; V187-W195 HydrophobicContact CG1-CZ3 3.55Å; V187-M197 HydrophobicContact CG2-CE 4Å; V187-D214 PolarHBondContact N-O 3.39Å; V187-L215 HydrophobicContact CB-CD2 3.93Å; V187-L215 HydrophobicContact CG2-CD2 4.41Å; V187-N218 PolarHBondContact O-ND2 3.12Å
188R86.6Confident81.1Confident73 Ų7341.3 Ų41.328%0.27519%0.193SC..THydrogen-bonded Turntrans-71142.1-175.8-172.9-171.9-179.6129.8-0.5111.2Q154 W155 S190 D214 A216 E217Q154-R188 CarbonylContact C-O 3.52Å; Q154-R188 WeakPolarHBondContact CA-O 3.29Å; Q154-R188 HydrophobicContact CG-CB 4.3Å; W155-R188 PolarHBondContact N-O 3.15Å; R188-S190 PolarHBondContact O-N 3.23Å; R188-S190 VanDerWaalsContact O-N 3.1Å; R188-D214 IonicContact NH1-OD2 2.93Å; R188-A216 CarbonylContact C-O 3.57Å; R188-A216 VanDerWaalsContact CA-O 3.32Å; R188-A216 WeakPolarHBondContact CA-O 3.31Å; R188-A216 HydrophobicContact CG-CB 4.23Å; R188-A216 WeakPolarHBondContact CG-O 3.35Å; R188-E217 IonicContact CZ-OE1 3.95Å; R188-E217 VanDerWaalsContact CZ-OE1 3.28Å; R188-E217 IonicContact NE-OE1 3.77Å; R188-E217 PolarHBondContact NE-OE1 2.92Å; R188-E217 IonicContact NH2-OE1 2.75Å; R188-E217 PolarHBondContact NH2-OE1 2.78Å
189G79.3Confident80.8Confident0 Ų037.2 Ų37.20%018%0.178CC..THydrogen-bonded Turntrans69.29167.500000114.7W155 C191 A216 E217W155-G189 VanDerWaalsContact CE3-CA 3.48Å; G189-C191 PolarHBondContact O-N 3.24Å; G189-C191 VanDerWaalsContact O-N 3.09Å; G189-C191 PolarHBondContact O-SG 3.27Å; G189-A216 PolarHBondContact N-O 3.28Å; G189-E217 VanDerWaalsContact CA-O 3.31Å; G189-E217 WeakPolarHBondContact CA-O 3.41Å
190S67.2Low80.5Confident0 Ų042 Ų420%020%0.204CC..  trans-60.6115.6173-64.40000109V187 R188V187-S190 VanDerWaalsContact CG1-OG 3.31Å; V187-S190 WeakPolarHBondContact CG1-OG 3.25Å; R188-S190 PolarHBondContact O-N 3.23Å; R188-S190 VanDerWaalsContact O-N 3.1Å
191C50.3Low80.3Confident11 Ų1137.2 Ų37.27%0.07418%0.178CC..  trans-130.2136.7-170.4-72.90000109.1F101 G189F101-C191 HydrophobicContact CD1-CB 4.34Å; G189-C191 PolarHBondContact O-N 3.24Å; G189-C191 VanDerWaalsContact O-N 3.09Å; G189-C191 PolarHBondContact O-SG 3.27Å
192Y50.4Low80.1Confident186 Ų18631.5 Ų31.573%0.72915%0.153SC*.SBendtrans52.379168.8-64.6-80.4000114.8R157R157-Y192 WeakPolarHBondContact CG-O 3.43Å; R157-Y192 PolarHBondContact NE-O 2.97Å
193G54.4Low79.2Confident28 Ų2833.1 Ų33.129%0.28917%0.17SC..SBendtrans168.1166.2178.200000108.4W195G193-W195 PolarHBondContact O-N 3.05Å
194C54.5Low78.4Confident45 Ų4539.5 Ų39.530%0.30420%0.197SC..SBendtrans-73.245.7-170.8-62.20000115H160 G162 P163 V168 L196H160-C194 PolarHBondContact O-SG 3.24Å; G162-C194 PolarHBondContact N-SG 3.19Å; G162-C194 VanDerWaalsContact N-SG 3.43Å; P163-C194 HydrophobicContact CG-CB 3.41Å; P163-C194 VanDerWaalsContact CG-CB 3.41Å; V168-C194 WeakPolarHBondContact CG2-O 3.46Å; C194-L196 VanDerWaalsContact C-N 3.29Å; C194-L196 PolarHBondContact O-N 3.15Å
195W66.1Low78Confident3 Ų337 Ų371%0.01119%0.191CC..  trans-89.449.7173.9-64.773.3000111.5F132 F138 L153 C156 L158 F172 V187 G193 M197 T220F132-W195 HydrophobicContact CD2-CZ2 4.14Å; F132-W195 HydrophobicContact CE2-CH2 4.44Å; F132-W195 HydrophobicContact CE2-CZ2 4.41Å; F138-W195 AromaticContact CD2-CH2 3.99Å; F138-W195 HydrophobicContact CD2-CH2 3.99Å; F138-W195 HydrophobicContact CD2-CZ2 4.26Å; F138-W195 HydrophobicContact CE1-CE3 4.44Å; F138-W195 HydrophobicContact CE1-CH2 4.36Å; F138-W195 HydrophobicContact CE1-CZ3 4.16Å; F138-W195 HydrophobicContact CE2-CE3 4.47Å; F138-W195 AromaticContact CE2-CH2 3.08Å; F138-W195 HydrophobicContact CE2-CH2 3.08Å; F138-W195 AromaticContact CE2-CZ2 3.76Å; F138-W195 HydrophobicContact CE2-CZ2 3.76Å; F138-W195 AromaticContact CE2-CZ3 3.51Å; F138-W195 HydrophobicContact CE2-CZ3 3.51Å; F138-W195 AromaticContact CZ-CE3 3.87Å; F138-W195 HydrophobicContact CZ-CE3 3.87Å; F138-W195 AromaticContact CZ-CH2 3.33Å; F138-W195 HydrophobicContact CZ-CH2 3.33Å; F138-W195 HydrophobicContact CZ-CZ2 4.08Å; F138-W195 AromaticContact CZ-CZ3 3.19Å; F138-W195 HydrophobicContact CZ-CZ3 3.19Å; L153-W195 HydrophobicContact CD1-CH2 4.02Å; L153-W195 HydrophobicContact CD1-CZ3 4.03Å; C156-W195 HydrophobicContact CB-CH2 4.09Å; C156-W195 HydrophobicContact CB-CZ2 4.05Å; L158-W195 HydrophobicContact CB-CG 4.43Å; L158-W195 HydrophobicContact CB-CZ2 4.19Å; F172-W195 HydrophobicContact CZ-CZ3 4.33Å; V187-W195 HydrophobicContact CG1-CE3 3.6Å; V187-W195 HydrophobicContact CG1-CZ3 3.55Å; G193-W195 PolarHBondContact O-N 3.05Å; W195-M197 VanDerWaalsContact C-N 3.32Å; W195-M197 PolarHBondContact O-N 2.92Å; W195-T220 WeakPolarHBondContact CB-OG1 3.31Å; W195-T220 WeakPolarHBondContact O-CB 3.35Å; W195-T220 PolarHBondContact O-OG1 3.39Å
196L72.6Confident78Confident43 Ų4337.2 Ų37.223%0.22519%0.192CC..  trans-75.294.8171-155.983.5000108V165 C194 T198 T220 K222V165-L196 HydrophobicContact CB-CB 4.4Å; V165-L196 HydrophobicContact CB-CD2 4.06Å; V165-L196 HydrophobicContact CG1-CB 4.16Å; V165-L196 HydrophobicContact CG1-CD2 3.65Å; V165-L196 HydrophobicContact CG1-CG 4.15Å; V165-L196 HydrophobicContact CG2-CB 3.89Å; V165-L196 HydrophobicContact CG2-CD2 3.26Å; V165-L196 HydrophobicContact CG2-CG 4.12Å; C194-L196 VanDerWaalsContact C-N 3.29Å; C194-L196 PolarHBondContact O-N 3.15Å; L196-T198 HydrophobicContact CD2-CG2 4.45Å; L196-T220 WeakPolarHBondContact CD1-O 3.18Å; L196-K222 HydrophobicContact CD1-CD 3.78Å; L196-K222 HydrophobicContact CD1-CG 4.01Å; L196-K222 HydrophobicContact CD2-CD 4.24Å; L196-K222 HydrophobicContact CG-CD 4.41Å
197M82.6Confident78.1Confident2 Ų237.2 Ų37.21%0.0119%0.192CC..  trans-93.8133.6167.2-173-174.3-56.400108.6D169 F172 V187 W195 A201 F202 L215 A221 K222D169-M197 WeakPolarHBondContact OD1-CA 3.14Å; F172-M197 HydrophobicContact CB-CE 4.42Å; F172-M197 HydrophobicContact CD1-CE 3.72Å; F172-M197 HydrophobicContact CD2-CE 3.23Å; F172-M197 HydrophobicContact CD2-SD 4.41Å; F172-M197 HydrophobicContact CE1-CE 3.65Å; F172-M197 HydrophobicContact CE2-CE 3.15Å; F172-M197 HydrophobicContact CG-CE 3.51Å; F172-M197 HydrophobicContact CG-SD 4.4Å; F172-M197 HydrophobicContact CZ-CE 3.36Å; V187-M197 HydrophobicContact CG2-CE 4Å; W195-M197 VanDerWaalsContact C-N 3.32Å; W195-M197 PolarHBondContact O-N 2.92Å; M197-A201 HydrophobicContact CG-CB 3.54Å; M197-A201 HydrophobicContact SD-CB 3.98Å; M197-F202 HydrophobicContact SD-CE2 4.04Å; M197-F202 HydrophobicContact SD-CZ 3.76Å; M197-L215 HydrophobicContact SD-CD2 4.35Å; M197-A221 WeakPolarHBondContact O-CA 3.21Å; M197-K222 PolarHBondContact O-N 2.75Å
198T88.1Confident78.4Confident3 Ų340.3 Ų40.32%0.01822%0.217CC..BIsolated β-bridgetrans-117.3177.2174.677.10000110.8V165 D169 L196 N200 A201 K222V165-T198 HydrophobicContact CG1-CG2 3.61Å; D169-T198 PolarHBondContact OD1-N 3.16Å; D169-T198 PolarHBondContact OD2-OG1 3.44Å; L196-T198 HydrophobicContact CD2-CG2 4.45Å; T198-N200 PolarHBondContact O-N 2.97Å; T198-N200 WeakPolarHBondContact OG1-CB 3.46Å; T198-N200 PolarHBondContact OG1-N 2.91Å; T198-N200 PolarHBondContact OG1-ND2 3.1Å; T198-A201 WeakPolarHBondContact O-CB 3.32Å; T198-A201 PolarHBondContact O-N 3.3Å; T198-A201 VanDerWaalsContact O-N 3.13Å; T198-K222 WeakPolarHBondContact CA-O 3.4Å
199E87.7Confident78.8Confident18 Ų1838.3 Ų38.38%0.08421%0.214CC..G310 helixtrans-51.6-24.2170.158.2-81.6177.800114A201 F202 G203 R224E199-A201 PolarHBondContact O-N 3.04Å; E199-F202 PolarHBondContact O-N 2.84Å; E199-G203 PolarHBondContact O-N 3.28Å; E199-R224 IonicContact OE1-CZ 2.87Å; E199-R224 IonicContact OE1-NH1 2.61Å; E199-R224 PolarHBondContact OE1-NH1 3.43Å; E199-R224 PolarHBondContact OE2-N 3.21Å; E199-R224 IonicContact OE2-NH1 3.93Å
200N90.5Very high79.7Confident100 Ų10038.3 Ų38.354%0.53521%0.214SC..G310 helixtrans-66.9-24-179.8-65.5-42.9000113.3D169 T198 F202 G203D169-N200 HydrophobicContact CB-CB 4.19Å; T198-N200 PolarHBondContact O-N 2.97Å; T198-N200 WeakPolarHBondContact OG1-CB 3.46Å; T198-N200 PolarHBondContact OG1-N 2.91Å; T198-N200 PolarHBondContact OG1-ND2 3.1Å; N200-F202 PolarHBondContact O-N 3.25Å; N200-G203 PolarHBondContact O-N 2.96Å
201A90.4Very high81.1Confident0 Ų041 Ų410%023%0.226CC..G310 helixtrans-59.1-28.917100000112.6D169 F172 K173 M197 T198 E199D169-A201 HydrophobicContact CB-CB 4.37Å; F172-A201 HydrophobicContact CB-CB 3.78Å; K173-A201 WeakPolarHBondContact CA-O 3.49Å; K173-A201 PolarHBondContact N-O 3.43Å; M197-A201 HydrophobicContact CG-CB 3.54Å; M197-A201 HydrophobicContact SD-CB 3.98Å; T198-A201 WeakPolarHBondContact O-CB 3.32Å; T198-A201 PolarHBondContact O-N 3.3Å; T198-A201 VanDerWaalsContact O-N 3.13Å; E199-A201 PolarHBondContact O-N 3.04Å
202F90.4Very high83.4Confident1 Ų140.6 Ų40.60%0.00422%0.224CC..THydrogen-bonded Turntrans-91.3-30.7-178.7-54.5-78.3000111.8M176 M197 E199 N200 C205 V206 L213 L215 I223 W228M176-F202 HydrophobicContact CE-CE1 4.46Å; M197-F202 HydrophobicContact SD-CE2 4.04Å; M197-F202 HydrophobicContact SD-CZ 3.76Å; E199-F202 PolarHBondContact O-N 2.84Å; N200-F202 PolarHBondContact O-N 3.25Å; F202-C205 PolarHBondContact O-N 3.19Å; F202-V206 HydrophobicContact CB-CG2 3.75Å; F202-V206 HydrophobicContact CD1-CG2 4.37Å; F202-V206 VanDerWaalsContact O-CG2 3.25Å; F202-V206 WeakPolarHBondContact O-CG2 3.3Å; F202-L213 HydrophobicContact CD1-CD2 4.33Å; F202-L213 HydrophobicContact CE1-CD1 3.72Å; F202-L213 HydrophobicContact CE1-CD2 3.5Å; F202-L213 VanDerWaalsContact CE1-CD2 3.5Å; F202-L213 HydrophobicContact CE1-CG 4.27Å; F202-L213 HydrophobicContact CZ-CD1 3.98Å; F202-L213 HydrophobicContact CZ-CD2 3.62Å; F202-L213 HydrophobicContact CZ-CG 4.45Å; F202-L215 HydrophobicContact CZ-CD1 4.17Å; F202-I223 HydrophobicContact CD2-CD1 4.42Å; F202-I223 HydrophobicContact CE2-CD1 3.68Å; F202-W228 HydrophobicContact CB-CB 3.8Å; F202-W228 HydrophobicContact CB-CD2 4.05Å; F202-W228 HydrophobicContact CB-CG 3.57Å; F202-W228 HydrophobicContact CD1-CD2 4.44Å; F202-W228 HydrophobicContact CG-CD2 4.18Å; F202-W228 HydrophobicContact CG-CG 4.13Å
203G78.4Confident85.5Confident34 Ų3431.9 Ų31.935%0.35119%0.19SC..THydrogen-bonded Turntrans43.4-139.4167.700000114.9E199 N200E199-G203 PolarHBondContact O-N 3.28Å; N200-G203 PolarHBondContact O-N 2.96Å
204K82.8Confident87.4Confident190 Ų19031.5 Ų31.583%0.82618%0.182SC*.THydrogen-bonded Turntrans-103.125.9169.2-65.5-173178.3-177.50112M231K204-M231 VanDerWaalsContact C-SD 3.51Å; K204-M231 WeakPolarHBondContact O-CE 3.45Å
205C88.3Confident89.1Confident27 Ų2729.5 Ų29.518%0.18217%0.168CC..THydrogen-bonded Turntrans-125.18.7-166.6-58.40000113.5K173 M176 L177 F202K173-C205 HydrophobicContact CG-CB 4.35Å; M176-C205 CarbonylContact C-O 3.59Å; M176-C205 HydrophobicContact CB-CB 4.49Å; M176-C205 WeakPolarHBondContact CB-O 3.45Å; L177-C205 HydrophobicContact CB-CB 4.31Å; F202-C205 PolarHBondContact O-N 3.19Å
206V94.9Very high90Very high6 Ų629.7 Ų29.74%0.03617%0.17CC..  trans-62.5125.6176.1-175.60000109.6F202 M210 W228 M231 A232F202-V206 HydrophobicContact CB-CG2 3.75Å; F202-V206 HydrophobicContact CD1-CG2 4.37Å; F202-V206 VanDerWaalsContact O-CG2 3.25Å; F202-V206 WeakPolarHBondContact O-CG2 3.3Å; V206-M210 HydrophobicContact CG1-CB 4.17Å; V206-M210 HydrophobicContact CG1-CE 3.92Å; V206-M210 HydrophobicContact CG1-SD 3.65Å; V206-W228 HydrophobicContact CG1-CE3 4.41Å; V206-W228 HydrophobicContact CG2-CB 3.95Å; V206-W228 HydrophobicContact CG2-CD2 4.49Å; V206-W228 HydrophobicContact CG2-CE3 4.11Å; V206-W228 HydrophobicContact CG2-CG 4.47Å; V206-M231 HydrophobicContact CB-CB 4Å; V206-M231 HydrophobicContact CB-SD 4.35Å; V206-M231 WeakPolarHBondContact O-CE 3.24Å; V206-A232 HydrophobicContact CG1-CB 4.06Å
207P95.1Very high90.5Very high12 Ų1229.8 Ų29.88%0.07817%0.17CC..  trans-69.3137.817927.1-32.7000110.6M176 L182 S209 M210M176-P207 VanDerWaalsContact SD-CD 3.53Å; M176-P207 HydrophobicContact SD-CG 4.18Å; L182-P207 HydrophobicContact CB-CG 4.16Å; P207-S209 PolarHBondContact O-N 2.94Å; P207-S209 VanDerWaalsContact O-N 3.09Å; P207-M210 HydrophobicContact CG-CB 4.43Å; P207-M210 HydrophobicContact CG-CE 4.48Å; P207-M210 VanDerWaalsContact O-CB 3.25Å; P207-M210 WeakPolarHBondContact O-CB 3.24Å; P207-M210 PolarHBondContact O-N 3.1Å
208A94.9Very high90.2Very high64 Ų6429.8 Ų29.853%0.52917%0.17SC..THydrogen-bonded Turntrans-63.5-17.1179.300000113.5M210 M231A208-M210 VanDerWaalsContact C-N 3.26Å; A208-M231 WeakPolarHBondContact CA-O 3.14Å
209S95.8Very high89.7Confident31 Ų3133.1 Ų33.122%0.21718%0.184CC..THydrogen-bonded Turntrans-75-11.217458.40000113.5D180 L182 P207 K211D180-S209 PolarHBondContact O-OG 2.84Å; L182-S209 PolarHBondContact O-OG 2.7Å; P207-S209 PolarHBondContact O-N 2.94Å; P207-S209 VanDerWaalsContact O-N 3.09Å; S209-K211 PolarHBondContact O-N 3.33Å
210M97.3Very high89.2Confident0 Ų033.5 Ų33.50%019%0.188CC..  trans-60.7121.3-177.2-176.2172.7-75.400111.6M176 L182 V206 P207 A208 W228 A232 M234 L235M176-M210 HydrophobicContact CE-CE 3.34Å; M176-M210 HydrophobicContact SD-CE 3.32Å; M176-M210 WeakPolarHBondContact SD-CE 3.34Å; L182-M210 WeakPolarHBondContact O-CA 3.45Å; L182-M210 PolarHBondContact O-N 3.02Å; V206-M210 HydrophobicContact CG1-CB 4.17Å; V206-M210 HydrophobicContact CG1-CE 3.92Å; V206-M210 HydrophobicContact CG1-SD 3.65Å; P207-M210 HydrophobicContact CG-CB 4.43Å; P207-M210 HydrophobicContact CG-CE 4.48Å; P207-M210 VanDerWaalsContact O-CB 3.25Å; P207-M210 WeakPolarHBondContact O-CB 3.24Å; P207-M210 PolarHBondContact O-N 3.1Å; A208-M210 VanDerWaalsContact C-N 3.26Å; M210-W228 HydrophobicContact SD-CZ3 4.41Å; M210-A232 HydrophobicContact CB-CB 4.22Å; M210-M234 CarbonylContact O-C 3.55Å; M210-L235 HydrophobicContact CG-CD1 4.12Å; M210-L235 PolarHBondContact O-N 3.06Å
211K98.1Very high88.9Confident56 Ų5629.2 Ų29.224%0.24317%0.166CC..  trans-108-27.6176.3-64.4178.2-169.5161.10112.6E183 Y184 S209 V236 E237E183-K211 HydrophobicContact CB-CB 4.45Å; E183-K211 HydrophobicContact CB-CD 4.26Å; E183-K211 HydrophobicContact CB-CG 4.33Å; E183-K211 HydrophobicContact CG-CD 4.45Å; E183-K211 CarbonylContact O-C 3.58Å; E183-K211 WeakPolarHBondContact O-CA 3.41Å; E183-K211 PolarHBondContact O-N 2.85Å; E183-K211 WeakPolarHBondContact OE1-CE 3.49Å; E183-K211 IonicContact OE1-NZ 3.54Å; E183-K211 PolarHBondContact OE1-NZ 2.98Å; E183-K211 WeakPolarHBondContact OE2-CE 3.32Å; E183-K211 IonicContact OE2-NZ 3.27Å; E183-K211 PolarHBondContact OE2-NZ 3.2Å; Y184-K211 HydrophobicContact CE1-CB 4.27Å; Y184-K211 HydrophobicContact CE2-CB 4.07Å; Y184-K211 HydrophobicContact CE2-CD 4.22Å; S209-K211 PolarHBondContact O-N 3.33Å; K211-V236 HydrophobicContact CB-CG2 4.45Å; K211-V236 WeakPolarHBondContact O-CA 3.13Å; K211-V236 PolarHBondContact O-N 2.92Å; K211-E237 PolarHBondContact O-N 3.19Å
212G97.4Very high88.8Confident4 Ų434.3 Ų34.34%0.04119%0.188CC..EExtended strand (participates in β ladder)trans-143.9131.1-172.800000114.4E183 Y184 L185 E237E183-G212 PolarHBondContact O-N 3Å; Y184-G212 WeakPolarHBondContact CA-O 3.28Å; L185-G212 PolarHBondContact N-O 3.41Å; G212-E237 VanDerWaalsContact CA-O 3.27Å; G212-E237 WeakPolarHBondContact CA-O 3.31Å
213L95.5Very high88.9Confident2 Ų234.5 Ų34.51%0.0119%0.189CC..EExtended strand (participates in β ladder)trans-126.6116168178.864.9000110.4L185 F202 L215 W228 E237 L238 H239L185-L213 HydrophobicContact CB-CD1 4.18Å; L185-L213 HydrophobicContact CD2-CD1 4.1Å; L185-L213 HydrophobicContact CG-CD1 4.27Å; L185-L213 CarbonylContact O-C 3.55Å; L185-L213 WeakPolarHBondContact O-CA 3.3Å; F202-L213 HydrophobicContact CD1-CD2 4.33Å; F202-L213 HydrophobicContact CE1-CD1 3.72Å; F202-L213 HydrophobicContact CE1-CD2 3.5Å; F202-L213 VanDerWaalsContact CE1-CD2 3.5Å; F202-L213 HydrophobicContact CE1-CG 4.27Å; F202-L213 HydrophobicContact CZ-CD1 3.98Å; F202-L213 HydrophobicContact CZ-CD2 3.62Å; F202-L213 HydrophobicContact CZ-CG 4.45Å; L213-L215 HydrophobicContact CD1-CD2 4.24Å; L213-L215 HydrophobicContact CD1-CG 4.16Å; L213-L215 HydrophobicContact CD2-CD1 4.28Å; L213-L215 HydrophobicContact CG-CD1 4.45Å; L213-L215 HydrophobicContact CG-CG 4.18Å; L213-W228 HydrophobicContact CB-CH2 4.48Å; L213-W228 HydrophobicContact CD2-CH2 3.45Å; L213-W228 VanDerWaalsContact CD2-CH2 3.45Å; L213-W228 HydrophobicContact CD2-CZ2 3.54Å; L213-W228 HydrophobicContact CD2-CZ3 4.38Å; L213-E237 PolarHBondContact N-O 3.17Å; L213-L238 HydrophobicContact CB-CD1 3.96Å; L213-L238 HydrophobicContact CD2-CD1 3.97Å; L213-L238 HydrophobicContact CG-CD1 4.24Å; L213-L238 WeakPolarHBondContact O-CA 3.26Å; L213-H239 PolarHBondContact O-N 3.09Å
214D93.3Very high89.5Confident21 Ų2138.3 Ų38.311%0.11219%0.193CC..EExtended strand (participates in β ladder)trans-116.1104.4179.1-18013.6000111.9L185 S186 V187 R188 A216 H239L185-D214 PolarHBondContact O-N 3.27Å; S186-D214 CarbonylContact C-O 3.58Å; S186-D214 WeakPolarHBondContact CA-O 3.26Å; S186-D214 PolarHBondContact OG-OD2 3.48Å; V187-D214 PolarHBondContact N-O 3.39Å; R188-D214 IonicContact NH1-OD2 2.93Å; D214-A216 VanDerWaalsContact OD1-CB 3.26Å; D214-A216 WeakPolarHBondContact OD1-CB 3.5Å; D214-A216 PolarHBondContact OD1-N 3.42Å; D214-H239 HydrophobicContact CB-CB 4.47Å
215L91.3Very high90.1Very high2 Ų231.9 Ų31.91%0.0117%0.166CC..EExtended strand (participates in β ladder)trans-115.523.7171.9-54.4178.5000111V187 M197 F202 L213 N218 A221 I223 H239 L240V187-L215 HydrophobicContact CB-CD2 3.93Å; V187-L215 HydrophobicContact CG2-CD2 4.41Å; M197-L215 HydrophobicContact SD-CD2 4.35Å; F202-L215 HydrophobicContact CZ-CD1 4.17Å; L213-L215 HydrophobicContact CD1-CD2 4.24Å; L213-L215 HydrophobicContact CD1-CG 4.16Å; L213-L215 HydrophobicContact CD2-CD1 4.28Å; L213-L215 HydrophobicContact CG-CD1 4.45Å; L213-L215 HydrophobicContact CG-CG 4.18Å; L215-N218 VanDerWaalsContact O-CB 3.23Å; L215-N218 WeakPolarHBondContact O-CB 3.08Å; L215-N218 PolarHBondContact O-N 2.75Å; L215-A221 HydrophobicContact CD1-CB 4.44Å; L215-I223 HydrophobicContact CD1-CD1 4.04Å; L215-I223 HydrophobicContact CD1-CG1 3.97Å; L215-H239 CarbonylContact C-O 3.54Å; L215-H239 WeakPolarHBondContact CA-O 3.19Å; L215-H239 PolarHBondContact N-O 2.94Å; L215-L240 HydrophobicContact CB-CD2 4.27Å; L215-L240 HydrophobicContact CD1-CD2 3.96Å; L215-L240 HydrophobicContact CG-CD2 4.43Å
216A85.6Confident90.5Very high8 Ų830.6 Ų30.67%0.06616%0.157CC..THydrogen-bonded Turntrans-62.6149.3177.100000111.2R188 G189 D214 N218 H239R188-A216 CarbonylContact C-O 3.57Å; R188-A216 VanDerWaalsContact CA-O 3.32Å; R188-A216 WeakPolarHBondContact CA-O 3.31Å; R188-A216 HydrophobicContact CG-CB 4.23Å; R188-A216 WeakPolarHBondContact CG-O 3.35Å; G189-A216 PolarHBondContact N-O 3.28Å; D214-A216 VanDerWaalsContact OD1-CB 3.26Å; D214-A216 WeakPolarHBondContact OD1-CB 3.5Å; D214-A216 PolarHBondContact OD1-N 3.42Å; A216-N218 PolarHBondContact O-N 3.02Å; A216-H239 HydrophobicContact CB-CB 4.06Å; A216-H239 PolarHBondContact N-O 3.22Å
217E81.7Confident90.5Very high45 Ų4538.9 Ų38.921%0.2119%0.188CC..THydrogen-bonded Turntrans55.615.2179.2-54.2178.8-99.700113.6W155 R188 G189 E241W155-E217 HydrophobicContact CH2-CB 4Å; W155-E217 HydrophobicContact CH2-CG 4.4Å; W155-E217 WeakPolarHBondContact CH2-OE2 3.06Å; W155-E217 HydrophobicContact CZ2-CB 4.49Å; R188-E217 IonicContact CZ-OE1 3.95Å; R188-E217 VanDerWaalsContact CZ-OE1 3.28Å; R188-E217 IonicContact NE-OE1 3.77Å; R188-E217 PolarHBondContact NE-OE1 2.92Å; R188-E217 IonicContact NH2-OE1 2.75Å; R188-E217 PolarHBondContact NH2-OE1 2.78Å; G189-E217 VanDerWaalsContact CA-O 3.31Å; G189-E217 WeakPolarHBondContact CA-O 3.41Å; E217-E241 WeakPolarHBondContact CA-OE2 3.35Å; E217-E241 PolarHBondContact N-OE2 2.91Å
218N77.6Confident90.4Very high2 Ų238.7 Ų38.71%0.01119%0.186CC..  trans-94.196.6176.7-174-32.6000108.8V187 L215 A216 T220 A221V187-N218 PolarHBondContact O-ND2 3.12Å; L215-N218 VanDerWaalsContact O-CB 3.23Å; L215-N218 WeakPolarHBondContact O-CB 3.08Å; L215-N218 PolarHBondContact O-N 2.75Å; A216-N218 PolarHBondContact O-N 3.02Å; N218-T220 PolarHBondContact O-N 2.77Å; N218-T220 PolarHBondContact OD1-N 3.48Å; N218-T220 VanDerWaalsContact OD1-N 3.13Å; N218-T220 PolarHBondContact OD1-OG1 3.4Å; N218-A221 HydrophobicContact CB-CB 4.23Å; N218-A221 PolarHBondContact OD1-N 2.69Å
219F76.5Confident90.5Very high73 Ų7335.7 Ų35.732%0.3216%0.16SC..SBendtrans-80-3.7-176.2-54.8-62.2000113.9E241F219-E241 WeakPolarHBondContact CE1-OE1 3.47Å
220T77.9Confident90.5Very high26 Ų2637.7 Ų37.716%0.1617%0.174CC..SBendtrans-102-17.2177.9590000112.4W195 L196 N218 K222W195-T220 WeakPolarHBondContact CB-OG1 3.31Å; W195-T220 WeakPolarHBondContact O-CB 3.35Å; W195-T220 PolarHBondContact O-OG1 3.39Å; L196-T220 WeakPolarHBondContact CD1-O 3.18Å; N218-T220 PolarHBondContact O-N 2.77Å; N218-T220 PolarHBondContact OD1-N 3.48Å; N218-T220 VanDerWaalsContact OD1-N 3.13Å; N218-T220 PolarHBondContact OD1-OG1 3.4Å; T220-K222 PolarHBondContact O-N 2.92Å
221A84.2Confident90.4Very high10 Ų1040.7 Ų40.78%0.08319%0.189CC..  trans-64.2131.4172.600000110.6M197 L215 N218M197-A221 WeakPolarHBondContact O-CA 3.21Å; L215-A221 HydrophobicContact CD1-CB 4.44Å; N218-A221 HydrophobicContact CB-CB 4.23Å; N218-A221 PolarHBondContact OD1-N 2.69Å
222K87.3Confident90.3Very high107 Ų10738 Ų3847%0.46518%0.177SC..BIsolated β-bridgetrans-125.378.2175.7-71-175.1-176.4178.30109.1L196 M197 T198 T220L196-K222 HydrophobicContact CD1-CD 3.78Å; L196-K222 HydrophobicContact CD1-CG 4.01Å; L196-K222 HydrophobicContact CD2-CD 4.24Å; L196-K222 HydrophobicContact CG-CD 4.41Å; M197-K222 PolarHBondContact O-N 2.75Å; T198-K222 WeakPolarHBondContact CA-O 3.4Å; T220-K222 PolarHBondContact O-N 2.92Å
223I92.2Very high90.2Very high4 Ų440.8 Ų40.82%0.02119%0.194CC..  trans-85.7113.2174.9-52.2-53.8000108.6F202 L215 L226 L240 A243 S244 I245F202-I223 HydrophobicContact CD2-CD1 4.42Å; F202-I223 HydrophobicContact CE2-CD1 3.68Å; L215-I223 HydrophobicContact CD1-CD1 4.04Å; L215-I223 HydrophobicContact CD1-CG1 3.97Å; I223-L226 HydrophobicContact CG2-CD2 3.96Å; I223-L240 HydrophobicContact CG1-CD2 4.33Å; I223-A243 HydrophobicContact CB-CB 4.18Å; I223-A243 CarbonylContact O-C 3.58Å; I223-S244 PolarHBondContact O-N 2.74Å; I223-I245 HydrophobicContact CG2-CG2 4.46Å
224R93Very high90.2Very high115 Ų11545 Ų4543%0.43422%0.215SC..  trans-96.5-21.3-179.4-61-178.1-173.477.91114.2E199E199-R224 IonicContact OE1-CZ 2.87Å; E199-R224 IonicContact OE1-NH1 2.61Å; E199-R224 PolarHBondContact OE1-NH1 3.43Å; E199-R224 PolarHBondContact OE2-N 3.21Å; E199-R224 IonicContact OE2-NH1 3.93Å
225H94.3Very high90.4Very high55 Ų5544 Ų4426%0.25521%0.21SC..  trans-154161.5179.465.352.2000111.6D249H225-D249 VanDerWaalsContact CA-OD1 3.29Å; H225-D249 WeakPolarHBondContact CA-OD1 3.48Å; H225-D249 WeakPolarHBondContact CB-OD1 3.28Å
226L96.1Very high90.7Very high0 Ų045.6 Ų45.60%022%0.219CC..  trans-111.119.5-178.6-63.2-178.5000113.9I223 W228 V229 L238 L240 I245 D249 L253I223-L226 HydrophobicContact CG2-CD2 3.96Å; L226-W228 HydrophobicContact CD2-CZ2 4.01Å; L226-W228 PolarHBondContact O-N 2.87Å; L226-V229 HydrophobicContact CB-CG1 3.91Å; L226-V229 HydrophobicContact CB-CG2 4.45Å; L226-V229 WeakPolarHBondContact O-CB 3.4Å; L226-V229 VanDerWaalsContact O-CG1 3.31Å; L226-V229 WeakPolarHBondContact O-CG1 3.47Å; L226-V229 WeakPolarHBondContact O-CG2 3.25Å; L226-V229 PolarHBondContact O-N 3.5Å; L226-L238 HydrophobicContact CD1-CD2 4.48Å; L226-L240 HydrophobicContact CD1-CD1 4.43Å; L226-L240 HydrophobicContact CD2-CD1 3.76Å; L226-I245 HydrophobicContact CD1-CD1 4.05Å; L226-I245 HydrophobicContact CD1-CG2 4.19Å; L226-I245 HydrophobicContact CD2-CG2 4.12Å; L226-I245 HydrophobicContact CG-CG2 3.73Å; L226-D249 HydrophobicContact CB-CB 4.11Å; L226-D249 HydrophobicContact CD1-CB 4.33Å; L226-D249 HydrophobicContact CG-CB 4.18Å; L226-D249 PolarHBondContact N-OD1 3.1Å; L226-L253 HydrophobicContact CD1-CB 4.21Å; L226-L253 HydrophobicContact CD1-CD2 4.22Å
227R94.7Very high91.3Very high180 Ų18047.8 Ų47.868%0.67923%0.228SC*.G310 helixtrans-49.6-28-178.8-67-179.5178.5174.8-1.2115.8V229R227-V229 VanDerWaalsContact C-N 3.27Å; R227-V229 PolarHBondContact O-N 2.98Å
228W94.7Very high92.1Very high8 Ų845.6 Ų45.63%0.0322%0.218CC..G310 helixtrans-70.8-17.7179.159.9-97.8000113.6F202 V206 M210 L213 L226 C230 M231 L235 L238F202-W228 HydrophobicContact CB-CB 3.8Å; F202-W228 HydrophobicContact CB-CD2 4.05Å; F202-W228 HydrophobicContact CB-CG 3.57Å; F202-W228 HydrophobicContact CD1-CD2 4.44Å; F202-W228 HydrophobicContact CG-CD2 4.18Å; F202-W228 HydrophobicContact CG-CG 4.13Å; V206-W228 HydrophobicContact CG1-CE3 4.41Å; V206-W228 HydrophobicContact CG2-CB 3.95Å; V206-W228 HydrophobicContact CG2-CD2 4.49Å; V206-W228 HydrophobicContact CG2-CE3 4.11Å; V206-W228 HydrophobicContact CG2-CG 4.47Å; M210-W228 HydrophobicContact SD-CZ3 4.41Å; L213-W228 HydrophobicContact CB-CH2 4.48Å; L213-W228 HydrophobicContact CD2-CH2 3.45Å; L213-W228 VanDerWaalsContact CD2-CH2 3.45Å; L213-W228 HydrophobicContact CD2-CZ2 3.54Å; L213-W228 HydrophobicContact CD2-CZ3 4.38Å; L226-W228 HydrophobicContact CD2-CZ2 4.01Å; L226-W228 PolarHBondContact O-N 2.87Å; W228-C230 PolarHBondContact O-N 3.26Å; W228-M231 VanDerWaalsContact O-CB 3.28Å; W228-M231 WeakPolarHBondContact O-CB 3.24Å; W228-M231 PolarHBondContact O-N 2.72Å; W228-L235 HydrophobicContact CH2-CD2 4.42Å; W228-L235 HydrophobicContact CZ3-CD2 4.45Å; W228-L238 HydrophobicContact CH2-CD1 4.01Å; W228-L238 HydrophobicContact CZ2-CD1 4.31Å
229V96.1Very high93Very high0 Ų047 Ų470%022%0.224CC..G310 helixtrans-62.5-24.9-177.9-61.60000112.9L226 R227 M231 A232 L252 L253L226-V229 HydrophobicContact CB-CG1 3.91Å; L226-V229 HydrophobicContact CB-CG2 4.45Å; L226-V229 WeakPolarHBondContact O-CB 3.4Å; L226-V229 VanDerWaalsContact O-CG1 3.31Å; L226-V229 WeakPolarHBondContact O-CG1 3.47Å; L226-V229 WeakPolarHBondContact O-CG2 3.25Å; L226-V229 PolarHBondContact O-N 3.5Å; R227-V229 VanDerWaalsContact C-N 3.27Å; R227-V229 PolarHBondContact O-N 2.98Å; V229-M231 PolarHBondContact O-N 3.17Å; V229-M231 VanDerWaalsContact O-N 3.14Å; V229-A232 CarbonylContact O-C 3.27Å; V229-A232 PolarHBondContact O-N 2.97Å; V229-L252 HydrophobicContact CG2-CD2 3.99Å; V229-L252 HydrophobicContact CG2-CG 3.88Å; V229-L253 HydrophobicContact CB-CD1 4.42Å; V229-L253 HydrophobicContact CG1-CD1 4Å
230C95.3Very high93.8Very high73 Ų7343.6 Ų43.649%0.49321%0.209SC..G310 helixtrans-59.1-23.8172-550000113.2W228 L252W228-C230 PolarHBondContact O-N 3.26Å; C230-L252 WeakPolarHBondContact SG-CD1 3.46Å
231M95.5Very high94.3Very high64 Ų6443.4 Ų43.432%0.31521%0.207SC..G310 helixtrans-86.3-13.3177.7-61-175.670.700113.1K204 V206 A208 W228 V229 P233K204-M231 VanDerWaalsContact C-SD 3.51Å; K204-M231 WeakPolarHBondContact O-CE 3.45Å; V206-M231 HydrophobicContact CB-CB 4Å; V206-M231 HydrophobicContact CB-SD 4.35Å; V206-M231 WeakPolarHBondContact O-CE 3.24Å; A208-M231 WeakPolarHBondContact CA-O 3.14Å; W228-M231 VanDerWaalsContact O-CB 3.28Å; W228-M231 WeakPolarHBondContact O-CB 3.24Å; W228-M231 PolarHBondContact O-N 2.72Å; V229-M231 PolarHBondContact O-N 3.17Å; V229-M231 VanDerWaalsContact O-N 3.14Å; M231-P233 VanDerWaalsContact O-CD 3.24Å; M231-P233 WeakPolarHBondContact O-CD 3.02Å
232A95.9Very high94.7Very high0 Ų048.6 Ų48.60%022%0.224CC..  trans-118.864.6-177.500000110.9V206 M210 V229 M234 L235 C257V206-A232 HydrophobicContact CG1-CB 4.06Å; M210-A232 HydrophobicContact CB-CB 4.22Å; V229-A232 CarbonylContact O-C 3.27Å; V229-A232 PolarHBondContact O-N 2.97Å; A232-M234 PolarHBondContact O-N 3.37Å; A232-L235 HydrophobicContact CB-CB 4.32Å; A232-L235 VanDerWaalsContact O-CB 3.24Å; A232-L235 WeakPolarHBondContact O-CB 3.05Å; A232-L235 PolarHBondContact O-N 2.73Å; A232-L235 VanDerWaalsContact O-N 3.11Å; A232-C257 PolarHBondContact O-SG 3.12Å; A232-C257 VanDerWaalsContact O-SG 3.37Å
233P94.9Very high94.9Very high62 Ų6243.8 Ų43.840%0.40320%0.204SC..THydrogen-bonded Turntrans-65.4-19.6179.628.7-36000113M231 L235M231-P233 VanDerWaalsContact O-CD 3.24Å; M231-P233 WeakPolarHBondContact O-CD 3.02Å; P233-L235 VanDerWaalsContact C-N 3.28Å; P233-L235 PolarHBondContact O-N 3Å
234M96.3Very high94.9Very high91 Ų9147.2 Ų47.245%0.44823%0.228SC..THydrogen-bonded Turntrans-85.56.5177.1-63-62.5-71.700113.3M210 A232 V236 L259M210-M234 CarbonylContact O-C 3.55Å; A232-M234 PolarHBondContact O-N 3.37Å; M234-V236 WeakPolarHBondContact O-CG2 3.39Å; M234-V236 PolarHBondContact O-N 2.85Å; M234-L259 HydrophobicContact SD-CD1 4.28Å
235L97.8Very high95Very high0 Ų041.7 Ų41.70%021%0.208CC..  trans-63.7120-177.9-163.872.4000110.8M210 W228 A232 P233 L238 L253 C257 L260M210-L235 HydrophobicContact CG-CD1 4.12Å; M210-L235 PolarHBondContact O-N 3.06Å; W228-L235 HydrophobicContact CH2-CD2 4.42Å; W228-L235 HydrophobicContact CZ3-CD2 4.45Å; A232-L235 HydrophobicContact CB-CB 4.32Å; A232-L235 VanDerWaalsContact O-CB 3.24Å; A232-L235 WeakPolarHBondContact O-CB 3.05Å; A232-L235 PolarHBondContact O-N 2.73Å; A232-L235 VanDerWaalsContact O-N 3.11Å; P233-L235 VanDerWaalsContact C-N 3.28Å; P233-L235 PolarHBondContact O-N 3Å; L235-L238 HydrophobicContact CD2-CB 4.08Å; L235-L238 HydrophobicContact CD2-CD2 4.27Å; L235-L253 HydrophobicContact CD2-CD1 4.35Å; L235-C257 HydrophobicContact CB-CB 4.11Å; L235-L260 HydrophobicContact CB-CD1 4.46Å; L235-L260 HydrophobicContact CD2-CD1 4.11Å; L235-L260 HydrophobicContact CG-CD1 4.02Å
236V98.2Very high95.1Very high35 Ų3542.1 Ų42.121%0.21221%0.212CC..  trans-106.9-32.5179.8-178.70000110.9K211 M234 N261 A262K211-V236 HydrophobicContact CB-CG2 4.45Å; K211-V236 WeakPolarHBondContact O-CA 3.13Å; K211-V236 PolarHBondContact O-N 2.92Å; M234-V236 WeakPolarHBondContact O-CG2 3.39Å; M234-V236 PolarHBondContact O-N 2.85Å; V236-N261 HydrophobicContact CG1-CB 3.54Å; V236-N261 PolarHBondContact O-N 2.9Å; V236-A262 PolarHBondContact O-N 2.91Å
237E98.2Very high95.2Very high53 Ų5343.9 Ų43.925%0.24822%0.221CC..EExtended strand (participates in β ladder)trans-133.8128.9-177.5-52.5-165.8160.300111.9K211 G212 L213 A262K211-E237 PolarHBondContact O-N 3.19Å; G212-E237 VanDerWaalsContact CA-O 3.27Å; G212-E237 WeakPolarHBondContact CA-O 3.31Å; L213-E237 PolarHBondContact N-O 3.17Å; E237-A262 CarbonylContact C-O 3.57Å; E237-A262 VanDerWaalsContact CA-O 3.28Å; E237-A262 WeakPolarHBondContact CA-O 3.49Å; E237-A262 HydrophobicContact CB-CB 4.1Å; E237-A262 HydrophobicContact CG-CB 3.75Å
238L97.6Very high95.4Very high0 Ų041 Ų410%022%0.22CC..EExtended strand (participates in β ladder)trans-136.9120.1175.7177.560.5000110L213 L226 W228 L235 L240 L253 L260 A262 L263 T264L213-L238 HydrophobicContact CB-CD1 3.96Å; L213-L238 HydrophobicContact CD2-CD1 3.97Å; L213-L238 HydrophobicContact CG-CD1 4.24Å; L213-L238 WeakPolarHBondContact O-CA 3.26Å; L226-L238 HydrophobicContact CD1-CD2 4.48Å; W228-L238 HydrophobicContact CH2-CD1 4.01Å; W228-L238 HydrophobicContact CZ2-CD1 4.31Å; L235-L238 HydrophobicContact CD2-CB 4.08Å; L235-L238 HydrophobicContact CD2-CD2 4.27Å; L238-L240 HydrophobicContact CD1-CD1 4.14Å; L238-L240 HydrophobicContact CD1-CD2 4.02Å; L238-L240 HydrophobicContact CD1-CG 3.89Å; L238-L240 HydrophobicContact CD2-CD1 4.08Å; L238-L240 HydrophobicContact CG-CD1 4.13Å; L238-L240 HydrophobicContact CG-CG 4.05Å; L238-L253 HydrophobicContact CD2-CD1 3.64Å; L238-L253 HydrophobicContact CD2-CD2 3.97Å; L238-L253 HydrophobicContact CD2-CG 4.48Å; L238-L260 HydrophobicContact CB-CD1 4.22Å; L238-A262 PolarHBondContact N-O 3.4Å; L238-L263 HydrophobicContact CB-CD1 4.02Å; L238-L263 HydrophobicContact CD2-CD1 4.28Å; L238-L263 HydrophobicContact CG-CD1 4.22Å; L238-L263 CarbonylContact O-C 3.58Å; L238-L263 VanDerWaalsContact O-CA 3.32Å; L238-L263 WeakPolarHBondContact O-CA 3.35Å; L238-L263 WeakPolarHBondContact O-CD1 3.47Å; L238-T264 PolarHBondContact O-N 2.83Å
239H95.6Very high95.5Very high31 Ų3141.2 Ų41.214%0.14422%0.221CC..EExtended strand (participates in β ladder)trans-123.3112.5179.1-52.3-70000111.7L213 D214 L215 A216 T264L213-H239 PolarHBondContact O-N 3.09Å; D214-H239 HydrophobicContact CB-CB 4.47Å; L215-H239 CarbonylContact C-O 3.54Å; L215-H239 WeakPolarHBondContact CA-O 3.19Å; L215-H239 PolarHBondContact N-O 2.94Å; A216-H239 HydrophobicContact CB-CB 4.06Å; A216-H239 PolarHBondContact N-O 3.22Å; H239-T264 PolarHBondContact ND1-OG1 2.99Å
240L93.8Very high95.6Very high2 Ų241.2 Ų41.21%0.0122%0.221CC..EExtended strand (participates in β ladder)trans-126.3136.8-178.8-58.6176.6000109.9L215 I223 L226 L238 A243 T264 A266L215-L240 HydrophobicContact CB-CD2 4.27Å; L215-L240 HydrophobicContact CD1-CD2 3.96Å; L215-L240 HydrophobicContact CG-CD2 4.43Å; I223-L240 HydrophobicContact CG1-CD2 4.33Å; L226-L240 HydrophobicContact CD1-CD1 4.43Å; L226-L240 HydrophobicContact CD2-CD1 3.76Å; L238-L240 HydrophobicContact CD1-CD1 4.14Å; L238-L240 HydrophobicContact CD1-CD2 4.02Å; L238-L240 HydrophobicContact CD1-CG 3.89Å; L238-L240 HydrophobicContact CD2-CD1 4.08Å; L238-L240 HydrophobicContact CG-CD1 4.13Å; L238-L240 HydrophobicContact CG-CG 4.05Å; L240-A243 HydrophobicContact CB-CB 4.04Å; L240-A243 HydrophobicContact CD1-CB 4.24Å; L240-T264 PolarHBondContact N-O 3.19Å; L240-T264 CarbonylContact O-C 3.5Å; L240-T264 VanDerWaalsContact O-O 3.11Å; L240-A266 PolarHBondContact O-N 2.98Å; L240-A266 VanDerWaalsContact O-N 3.07Å
241E89.8Confident95.7Very high22 Ų2241 Ų4110%0.10321%0.213CC..EExtended strand (participates in β ladder)trans-127130.6173.1-168.4173.3161.900108.9E217 F219 A243 A266 Y267E217-E241 WeakPolarHBondContact CA-OE2 3.35Å; E217-E241 PolarHBondContact N-OE2 2.91Å; F219-E241 WeakPolarHBondContact CE1-OE1 3.47Å; E241-A243 PolarHBondContact O-N 2.95Å; E241-A266 CarbonylContact C-O 3.53Å; E241-A266 HydrophobicContact CG-CB 4.06Å; E241-Y267 HydrophobicContact CG-CD2 3.7Å; E241-Y267 HydrophobicContact CG-CE2 4.14Å; E241-Y267 VanDerWaalsContact OE1-CE2 3.32Å; E241-Y267 WeakPolarHBondContact OE1-CE2 3.14Å
242R90.6Very high95.8Very high119 Ų11940.3 Ų40.345%0.44921%0.21SC..SBendtrans58.327.6-177.7-62.5174177.9165.62114.3S244 A266 Y267R242-S244 PolarHBondContact O-N 3.35Å; R242-A266 PolarHBondContact N-O 3.45Å; R242-Y267 HydrophobicContact CG-CD2 4.22Å; R242-Y267 HydrophobicContact CG-CG 4.19Å
243A92Very high95.9Very high5 Ų540.3 Ų40.34%0.04121%0.21CC..  trans-67.5132.6170.100000109.8I223 L240 E241 I245 S268I223-A243 HydrophobicContact CB-CB 4.18Å; I223-A243 CarbonylContact O-C 3.58Å; L240-A243 HydrophobicContact CB-CB 4.04Å; L240-A243 HydrophobicContact CD1-CB 4.24Å; E241-A243 PolarHBondContact O-N 2.95Å; A243-I245 HydrophobicContact CB-CG1 4.34Å; A243-I245 HydrophobicContact CB-CG2 4.03Å; A243-I245 PolarHBondContact O-N 3.37Å; A243-I245 VanDerWaalsContact O-N 3.15Å; A243-S268 PolarHBondContact O-OG 3.44Å
244S93Very high96.1Very high76 Ų7637.7 Ų37.753%0.53119%0.193SC..  trans-85.735.5178.6-55.80000112I223 R242I223-S244 PolarHBondContact O-N 2.74Å; R242-S244 PolarHBondContact O-N 3.35Å
245I95.4Very high96.1Very high0 Ų038.1 Ų38.10%020%0.197CC..  trans-72.4156.6178.860.5166.1000110.6I223 L226 A243 D249 I265 G270 V271I223-I245 HydrophobicContact CG2-CG2 4.46Å; L226-I245 HydrophobicContact CD1-CD1 4.05Å; L226-I245 HydrophobicContact CD1-CG2 4.19Å; L226-I245 HydrophobicContact CD2-CG2 4.12Å; L226-I245 HydrophobicContact CG-CG2 3.73Å; A243-I245 HydrophobicContact CB-CG1 4.34Å; A243-I245 HydrophobicContact CB-CG2 4.03Å; A243-I245 PolarHBondContact O-N 3.37Å; A243-I245 VanDerWaalsContact O-N 3.15Å; I245-D249 WeakPolarHBondContact CA-OD2 3.27Å; I245-D249 HydrophobicContact CB-CB 3.94Å; I245-D249 HydrophobicContact CG2-CB 4.36Å; I245-I265 HydrophobicContact CD1-CD1 4.16Å; I245-I265 HydrophobicContact CD1-CG2 3.93Å; I245-G270 CarbonylContact O-C 3.5Å; I245-G270 VanDerWaalsContact O-C 3.27Å; I245-G270 VanDerWaalsContact O-CA 3.29Å; I245-G270 WeakPolarHBondContact O-CA 3.35Å; I245-V271 HydrophobicContact CD1-CG2 4.06Å; I245-V271 HydrophobicContact CG1-CG2 3.82Å
246N96.4Very high96.1Very high63 Ų6339.2 Ų39.234%0.33721%0.205SC..  trans-114.2-171.4178.472.713.8000112.3D248 D249 L250N246-D248 WeakPolarHBondContact OD1-CA 3.42Å; N246-D248 WeakPolarHBondContact OD1-CB 3.34Å; N246-D248 PolarHBondContact OD1-N 3.47Å; N246-D249 PolarHBondContact N-OD2 2.84Å; N246-D249 PolarHBondContact O-N 3.39Å; N246-D249 PolarHBondContact OD1-N 2.92Å; N246-D249 PolarHBondContact OD1-OD2 3.27Å; N246-D249 VanDerWaalsContact OD1-OD2 3.14Å; N246-L250 PolarHBondContact O-N 2.88Å
247N97.9Very high96.1Very high38 Ų3837.6 Ų37.620%0.20320%0.195CC..Hα-helixtrans-67.6-32.1177.6-86.7100.1000114.5L250 E251 R272 N273N247-L250 PolarHBondContact O-N 2.91Å; N247-E251 WeakPolarHBondContact O-CG 3.36Å; N247-E251 PolarHBondContact O-N 2.82Å; N247-R272 WeakPolarHBondContact OD1-CA 3.39Å; N247-R272 PolarHBondContact OD1-N 3.11Å; N247-N273 WeakPolarHBondContact ND2-CB 3.31Å; N247-N273 PolarHBondContact ND2-N 2.87Å; N247-N273 PolarHBondContact ND2-O 3.31Å; N247-N273 PolarHBondContact OD1-N 3.19Å
248D98Very high95.9Very high120 Ų12038.5 Ų38.564%0.64221%0.205SC*.Hα-helixtrans-68.7-37.1176.7-56.1-34.7000111.1N246 L250 E251 L252N246-D248 WeakPolarHBondContact OD1-CA 3.42Å; N246-D248 WeakPolarHBondContact OD1-CB 3.34Å; N246-D248 PolarHBondContact OD1-N 3.47Å; D248-L250 VanDerWaalsContact C-N 3.33Å; D248-E251 WeakPolarHBondContact O-CB 3.24Å; D248-E251 PolarHBondContact O-N 2.9Å; D248-L252 WeakPolarHBondContact O-CB 3.29Å; D248-L252 PolarHBondContact O-N 2.85Å
249D97.6Very high95.8Very high11 Ų1142 Ų426%0.05922%0.224CC..Hα-helixtrans-64-39.1173.2-67.6-57.1000111.8H225 L226 I245 N246 L252 L253H225-D249 VanDerWaalsContact CA-OD1 3.29Å; H225-D249 WeakPolarHBondContact CA-OD1 3.48Å; H225-D249 WeakPolarHBondContact CB-OD1 3.28Å; L226-D249 HydrophobicContact CB-CB 4.11Å; L226-D249 HydrophobicContact CD1-CB 4.33Å; L226-D249 HydrophobicContact CG-CB 4.18Å; L226-D249 PolarHBondContact N-OD1 3.1Å; I245-D249 WeakPolarHBondContact CA-OD2 3.27Å; I245-D249 HydrophobicContact CB-CB 3.94Å; I245-D249 HydrophobicContact CG2-CB 4.36Å; N246-D249 PolarHBondContact N-OD2 2.84Å; N246-D249 PolarHBondContact O-N 3.39Å; N246-D249 PolarHBondContact OD1-N 2.92Å; N246-D249 PolarHBondContact OD1-OD2 3.27Å; N246-D249 VanDerWaalsContact OD1-OD2 3.14Å; D249-L252 PolarHBondContact O-N 3.31Å; D249-L253 WeakPolarHBondContact O-CB 3.29Å; D249-L253 PolarHBondContact O-N 2.95Å
250L97.6Very high95.9Very high0 Ų040.6 Ų40.60%022%0.217CC..Hα-helixtrans-66.9-43.3177.2-165.568.6000111.2N246 N247 D248 L252 L253 V254 I265 V271 N273 P276 L277N246-L250 PolarHBondContact O-N 2.88Å; N247-L250 PolarHBondContact O-N 2.91Å; D248-L250 VanDerWaalsContact C-N 3.33Å; L250-L252 VanDerWaalsContact C-N 3.34Å; L250-L253 PolarHBondContact O-N 2.96Å; L250-V254 WeakPolarHBondContact O-CB 3.45Å; L250-V254 VanDerWaalsContact O-CG2 3.25Å; L250-V254 WeakPolarHBondContact O-CG2 3.32Å; L250-V254 PolarHBondContact O-N 2.88Å; L250-I265 HydrophobicContact CD1-CD1 3.56Å; L250-V271 HydrophobicContact CD2-CG1 3.85Å; L250-N273 WeakPolarHBondContact CD2-O 3.32Å; L250-P276 HydrophobicContact CD2-CB 4.25Å; L250-P276 HydrophobicContact CD2-CG 4.24Å; L250-P276 HydrophobicContact CG-CB 4.38Å; L250-L277 HydrophobicContact CD1-CD2 3.61Å; L250-L277 HydrophobicContact CD1-CG 4.21Å; L250-L277 HydrophobicContact CD2-CD2 4.49Å; L250-L277 HydrophobicContact CD2-CG 4.27Å; L250-L277 HydrophobicContact CG-CD2 4.25Å
251E98.1Very high96.1Very high69 Ų6942.6 Ų42.632%0.32223%0.228SC..Hα-helixtrans-57.5-47.6171.8-81.8-65.1140.700111.4N247 D248 L253 V254 N255 P276 R279N247-E251 WeakPolarHBondContact O-CG 3.36Å; N247-E251 PolarHBondContact O-N 2.82Å; D248-E251 WeakPolarHBondContact O-CB 3.24Å; D248-E251 PolarHBondContact O-N 2.9Å; E251-L253 PolarHBondContact O-N 3.27Å; E251-V254 PolarHBondContact O-N 3.35Å; E251-N255 WeakPolarHBondContact O-CB 3.38Å; E251-N255 PolarHBondContact O-N 2.87Å; E251-N255 PolarHBondContact O-ND2 3.11Å; E251-P276 WeakPolarHBondContact OE1-CB 3.23Å; E251-P276 WeakPolarHBondContact OE1-CG 3.34Å; E251-R279 IonicContact OE1-CZ 3.76Å; E251-R279 IonicContact OE1-NH2 2.87Å; E251-R279 PolarHBondContact OE1-NH2 3.35Å; E251-R279 IonicContact OE2-CZ 2.91Å; E251-R279 IonicContact OE2-NH1 2.84Å; E251-R279 IonicContact OE2-NH2 2.97Å; E251-R279 PolarHBondContact OE2-NH2 2.69Å
252L97.8Very high96.6Very high49 Ų4941.6 Ų41.626%0.25722%0.224SC..Hα-helixtrans-62.1-45.2178.8-174.468.9000112.4V229 C230 D248 D249 L250 N255 S256V229-L252 HydrophobicContact CG2-CD2 3.99Å; V229-L252 HydrophobicContact CG2-CG 3.88Å; C230-L252 WeakPolarHBondContact SG-CD1 3.46Å; D248-L252 WeakPolarHBondContact O-CB 3.29Å; D248-L252 PolarHBondContact O-N 2.85Å; D249-L252 PolarHBondContact O-N 3.31Å; L250-L252 VanDerWaalsContact C-N 3.34Å; L252-N255 PolarHBondContact O-N 3.42Å; L252-S256 WeakPolarHBondContact O-CB 3.26Å; L252-S256 PolarHBondContact O-N 2.61Å; L252-S256 PolarHBondContact O-OG 3.17Å
253L97.9Very high96.9Very high0 Ų036 Ų360%020%0.202CC..Hα-helixtrans-57.5-50.1177.4173.766.6000110.9L226 V229 L235 L238 D249 L250 E251 N255 S256 C257 L260 L263 I265L226-L253 HydrophobicContact CD1-CB 4.21Å; L226-L253 HydrophobicContact CD1-CD2 4.22Å; V229-L253 HydrophobicContact CB-CD1 4.42Å; V229-L253 HydrophobicContact CG1-CD1 4Å; L235-L253 HydrophobicContact CD2-CD1 4.35Å; L238-L253 HydrophobicContact CD2-CD1 3.64Å; L238-L253 HydrophobicContact CD2-CD2 3.97Å; L238-L253 HydrophobicContact CD2-CG 4.48Å; D249-L253 WeakPolarHBondContact O-CB 3.29Å; D249-L253 PolarHBondContact O-N 2.95Å; L250-L253 PolarHBondContact O-N 2.96Å; E251-L253 PolarHBondContact O-N 3.27Å; L253-N255 VanDerWaalsContact C-N 3.32Å; L253-N255 PolarHBondContact O-N 3.34Å; L253-S256 PolarHBondContact O-N 3.08Å; L253-C257 HydrophobicContact CD1-CB 4.24Å; L253-C257 WeakPolarHBondContact O-CB 3.46Å; L253-C257 PolarHBondContact O-N 2.85Å; L253-L260 HydrophobicContact CD2-CD2 4.48Å; L253-L263 HydrophobicContact CD2-CD1 4.16Å; L253-L263 HydrophobicContact CD2-CD2 4.26Å; L253-I265 HydrophobicContact CD2-CD1 4.3Å
254V97.6Very high97.2Very high8 Ų836.9 Ų36.95%0.04821%0.208CC..Hα-helixtrans-64.9-37.9-177.6170.80000111.7L250 E251 P276 L277 R279 L280L250-V254 WeakPolarHBondContact O-CB 3.45Å; L250-V254 VanDerWaalsContact O-CG2 3.25Å; L250-V254 WeakPolarHBondContact O-CG2 3.32Å; L250-V254 PolarHBondContact O-N 2.88Å; E251-V254 PolarHBondContact O-N 3.35Å; V254-P276 HydrophobicContact CG2-CB 4.33Å; V254-L277 HydrophobicContact CG2-CD2 4.32Å; V254-R279 HydrophobicContact CG1-CB 3.61Å; V254-L280 HydrophobicContact CB-CD2 4.44Å; V254-L280 HydrophobicContact CG1-CD2 4.31Å; V254-L280 HydrophobicContact CG1-CG 4.47Å; V254-L280 HydrophobicContact CG2-CD1 4.26Å; V254-L280 HydrophobicContact CG2-CD2 4.26Å; V254-L280 HydrophobicContact CG2-CG 4.09Å
255N97.8Very high97.3Very high99 Ų9933.3 Ų33.353%0.52918%0.182SC..Hα-helixtrans-75.5-31.4179.1-66.6-27.8000112.7E251 L252 L253 R279E251-N255 WeakPolarHBondContact O-CB 3.38Å; E251-N255 PolarHBondContact O-N 2.87Å; E251-N255 PolarHBondContact O-ND2 3.11Å; L252-N255 PolarHBondContact O-N 3.42Å; L253-N255 VanDerWaalsContact C-N 3.32Å; L253-N255 PolarHBondContact O-N 3.34Å; N255-R279 PolarHBondContact OD1-NH1 2.96Å
256S97.3Very high97.2Very high24 Ų2433.4 Ų33.417%0.16818%0.183CC..Hα-helixtrans-92.3-28.6-173.7-54.80000113.5L252 L253 P258L252-S256 WeakPolarHBondContact O-CB 3.26Å; L252-S256 PolarHBondContact O-N 2.61Å; L252-S256 PolarHBondContact O-OG 3.17Å; L253-S256 PolarHBondContact O-N 3.08Å; S256-P258 VanDerWaalsContact C-CD 3.4Å; S256-P258 WeakPolarHBondContact O-CD 3.33Å
257C97.1Very high97.1Very high0 Ų032.8 Ų32.80%018%0.176CC..  trans-122.865.1-174.1-55.30000111.4A232 L235 L253 L259 L260A232-C257 PolarHBondContact O-SG 3.12Å; A232-C257 VanDerWaalsContact O-SG 3.37Å; L235-C257 HydrophobicContact CB-CB 4.11Å; L253-C257 HydrophobicContact CD1-CB 4.24Å; L253-C257 WeakPolarHBondContact O-CB 3.46Å; L253-C257 PolarHBondContact O-N 2.85Å; C257-L259 PolarHBondContact O-N 3.03Å; C257-L260 HydrophobicContact CB-CD1 4.44Å; C257-L260 WeakPolarHBondContact O-CB 3.49Å; C257-L260 PolarHBondContact O-N 3.27Å
258P94.8Very high96.9Very high72 Ų7231 Ų3147%0.46817%0.167SC..THydrogen-bonded Turntrans-68.1-16.2-176.528.7-36.3000113.8S256 L260S256-P258 VanDerWaalsContact C-CD 3.4Å; S256-P258 WeakPolarHBondContact O-CD 3.33Å; P258-L260 VanDerWaalsContact C-N 3.25Å; P258-L260 PolarHBondContact O-N 2.58Å
259L96.2Very high96.6Very high75 Ų7529.8 Ų29.839%0.39317%0.168SC..THydrogen-bonded Turntrans-83.12.7178.6-61179.9000113.6M234 C257 N261M234-L259 HydrophobicContact SD-CD1 4.28Å; C257-L259 PolarHBondContact O-N 3.03Å; L259-N261 PolarHBondContact O-N 2.94Å; L259-N261 VanDerWaalsContact O-N 3.16Å
260L98.1Very high96.4Very high0 Ų030.6 Ų30.60%018%0.179CC..  trans-59.9120.9-175.8-150.778.8000111.1L235 L238 L253 C257 P258 L263 L280 W282 L283L235-L260 HydrophobicContact CB-CD1 4.46Å; L235-L260 HydrophobicContact CD2-CD1 4.11Å; L235-L260 HydrophobicContact CG-CD1 4.02Å; L238-L260 HydrophobicContact CB-CD1 4.22Å; L253-L260 HydrophobicContact CD2-CD2 4.48Å; C257-L260 HydrophobicContact CB-CD1 4.44Å; C257-L260 WeakPolarHBondContact O-CB 3.49Å; C257-L260 PolarHBondContact O-N 3.27Å; P258-L260 VanDerWaalsContact C-N 3.25Å; P258-L260 PolarHBondContact O-N 2.58Å; L260-L263 HydrophobicContact CD2-CB 3.77Å; L260-L263 HydrophobicContact CD2-CD1 3.93Å; L260-L263 HydrophobicContact CD2-CD2 3.78Å; L260-L263 HydrophobicContact CD2-CG 4.02Å; L260-L280 HydrophobicContact CB-CD1 4.33Å; L260-L280 HydrophobicContact CB-CD2 3.98Å; L260-L280 HydrophobicContact CD2-CD1 3.76Å; L260-W282 CarbonylContact O-C 3.55Å; L260-L283 PolarHBondContact O-N 3.27Å
261N97.8Very high96.4Very high45 Ų4530.6 Ų30.624%0.24118%0.179CC..  trans-109.3-36.5-176.7-175.9-10.2000110.8V236 L259 R284 R285V236-N261 HydrophobicContact CG1-CB 3.54Å; V236-N261 PolarHBondContact O-N 2.9Å; L259-N261 PolarHBondContact O-N 2.94Å; L259-N261 VanDerWaalsContact O-N 3.16Å; N261-R284 PolarHBondContact O-N 3.4Å; N261-R284 WeakPolarHBondContact OD1-CB 3.47Å; N261-R284 VanDerWaalsContact OD1-CD 3.24Å; N261-R284 WeakPolarHBondContact OD1-CD 3.18Å; N261-R284 WeakPolarHBondContact OD1-CG 3.32Å; N261-R284 PolarHBondContact OD1-N 3.42Å; N261-R285 PolarHBondContact O-N 3.13Å
262A98.6Very high96.3Very high1 Ų135.8 Ų35.81%0.00820%0.195CC..EExtended strand (participates in β ladder)trans-125.3127.1176.400000112V236 E237 L238 R285V236-A262 PolarHBondContact O-N 2.91Å; E237-A262 CarbonylContact C-O 3.57Å; E237-A262 VanDerWaalsContact CA-O 3.28Å; E237-A262 WeakPolarHBondContact CA-O 3.49Å; E237-A262 HydrophobicContact CB-CB 4.1Å; E237-A262 HydrophobicContact CG-CB 3.75Å; L238-A262 PolarHBondContact N-O 3.4Å; A262-R285 CarbonylContact C-O 3.34Å; A262-R285 WeakPolarHBondContact CA-O 3.35Å; A262-R285 HydrophobicContact CB-CB 3.97Å
263L98.3Very high96.2Very high1 Ų136.7 Ų36.71%0.00520%0.201CC..EExtended strand (participates in β ladder)trans-135.8127.2-179.8-177.654.3000111.7L238 L253 L260 I265 L277 L280 L283 R285 L286 A287L238-L263 HydrophobicContact CB-CD1 4.02Å; L238-L263 HydrophobicContact CD2-CD1 4.28Å; L238-L263 HydrophobicContact CG-CD1 4.22Å; L238-L263 CarbonylContact O-C 3.58Å; L238-L263 VanDerWaalsContact O-CA 3.32Å; L238-L263 WeakPolarHBondContact O-CA 3.35Å; L238-L263 WeakPolarHBondContact O-CD1 3.47Å; L253-L263 HydrophobicContact CD2-CD1 4.16Å; L253-L263 HydrophobicContact CD2-CD2 4.26Å; L260-L263 HydrophobicContact CD2-CB 3.77Å; L260-L263 HydrophobicContact CD2-CD1 3.93Å; L260-L263 HydrophobicContact CD2-CD2 3.78Å; L260-L263 HydrophobicContact CD2-CG 4.02Å; L263-I265 HydrophobicContact CD1-CD1 3.85Å; L263-I265 HydrophobicContact CD1-CG1 3.61Å; L263-I265 HydrophobicContact CD2-CD1 3.82Å; L263-I265 HydrophobicContact CD2-CG1 4.26Å; L263-I265 HydrophobicContact CG-CD1 4.04Å; L263-I265 HydrophobicContact CG-CG1 3.91Å; L263-L277 HydrophobicContact CD2-CD2 3.44Å; L263-L277 VanDerWaalsContact CD2-CD2 3.44Å; L263-L280 HydrophobicContact CD2-CD1 4.02Å; L263-L283 HydrophobicContact CB-CD1 3.92Å; L263-R285 PolarHBondContact N-O 2.81Å; L263-L286 HydrophobicContact CB-CD1 4.09Å; L263-L286 HydrophobicContact CD2-CD1 4.3Å; L263-L286 HydrophobicContact CG-CD1 4.23Å; L263-L286 CarbonylContact O-C 3.43Å; L263-L286 WeakPolarHBondContact O-CA 3.48Å; L263-A287 PolarHBondContact O-N 3.02Å
264T96.9Very high96.2Very high24 Ų2436.8 Ų36.815%0.14720%0.201CC..EExtended strand (participates in β ladder)trans-117121.4164.2-55.20000109L238 H239 L240 A266 A287L238-T264 PolarHBondContact O-N 2.83Å; H239-T264 PolarHBondContact ND1-OG1 2.99Å; L240-T264 PolarHBondContact N-O 3.19Å; L240-T264 CarbonylContact O-C 3.5Å; L240-T264 VanDerWaalsContact O-O 3.11Å; T264-A266 HydrophobicContact CG2-CB 4.04Å; T264-A287 WeakPolarHBondContact CA-O 3.45Å; T264-A287 HydrophobicContact CG2-CB 3.86Å
265I95.6Very high96.2Very high0 Ų038.6 Ų38.60%021%0.212CC..EExtended strand (participates in β ladder)trans-130.179.6169.9-61.3178.5000106.1I245 L250 L253 L263 S268 A287 L288 N291I245-I265 HydrophobicContact CD1-CD1 4.16Å; I245-I265 HydrophobicContact CD1-CG2 3.93Å; L250-I265 HydrophobicContact CD1-CD1 3.56Å; L253-I265 HydrophobicContact CD2-CD1 4.3Å; L263-I265 HydrophobicContact CD1-CD1 3.85Å; L263-I265 HydrophobicContact CD1-CG1 3.61Å; L263-I265 HydrophobicContact CD2-CD1 3.82Å; L263-I265 HydrophobicContact CD2-CG1 4.26Å; L263-I265 HydrophobicContact CG-CD1 4.04Å; L263-I265 HydrophobicContact CG-CG1 3.91Å; I265-S268 VanDerWaalsContact CG2-CB 3.46Å; I265-S268 WeakPolarHBondContact CG2-OG 3.23Å; I265-A287 PolarHBondContact N-O 2.83Å; I265-L288 HydrophobicContact CB-CD2 4.26Å; I265-N291 PolarHBondContact O-ND2 3.37Å
266A94.1Very high96.2Very high2 Ų234.1 Ų34.12%0.01719%0.189CC..EExtended strand (participates in β ladder)trans-96.3141.2-176.900000111.1L240 E241 R242 T264 S268 N289L240-A266 PolarHBondContact O-N 2.98Å; L240-A266 VanDerWaalsContact O-N 3.07Å; E241-A266 CarbonylContact C-O 3.53Å; E241-A266 HydrophobicContact CG-CB 4.06Å; R242-A266 PolarHBondContact N-O 3.45Å; T264-A266 HydrophobicContact CG2-CB 4.04Å; A266-S268 VanDerWaalsContact C-N 3.27Å; A266-S268 PolarHBondContact O-N 2.89Å; A266-N289 CarbonylContact C-O 3.5Å; A266-N289 WeakPolarHBondContact CA-O 3.48Å; A266-N289 HydrophobicContact CB-CB 4.04Å; A266-N289 WeakPolarHBondContact CB-O 3.48Å
267Y94.2Very high96.3Very high50 Ų5033 Ų3320%0.19618%0.181CC..SBendtrans5338.8178.9-50.3-82.4000113.9E241 R242 S269 N289 N291E241-Y267 HydrophobicContact CG-CD2 3.7Å; E241-Y267 HydrophobicContact CG-CE2 4.14Å; E241-Y267 VanDerWaalsContact OE1-CE2 3.32Å; E241-Y267 WeakPolarHBondContact OE1-CE2 3.14Å; R242-Y267 HydrophobicContact CG-CD2 4.22Å; R242-Y267 HydrophobicContact CG-CG 4.19Å; Y267-S269 PolarHBondContact O-N 3.41Å; Y267-N289 PolarHBondContact N-O 3.12Å; Y267-N291 PolarHBondContact N-OD1 3.22Å
268S94.2Very high96.3Very high1 Ų133.4 Ų33.41%0.00718%0.183CC..  trans-9379.5179-71.40000111A243 I265 A266 G270 V271 N291A243-S268 PolarHBondContact O-OG 3.44Å; I265-S268 VanDerWaalsContact CG2-CB 3.46Å; I265-S268 WeakPolarHBondContact CG2-OG 3.23Å; A266-S268 VanDerWaalsContact C-N 3.27Å; A266-S268 PolarHBondContact O-N 2.89Å; S268-G270 PolarHBondContact O-N 2.98Å; S268-G270 VanDerWaalsContact O-N 3.16Å; S268-V271 PolarHBondContact O-N 3.34Å; S268-V271 VanDerWaalsContact O-N 3.13Å; S268-N291 PolarHBondContact N-OD1 3.1Å
269S91Very high96.4Very high95 Ų9535 Ų3566%0.66418%0.18SC*.THydrogen-bonded Turntrans-63-18.9-177.455.20000114.8Y267 V271Y267-S269 PolarHBondContact O-N 3.41Å; S269-V271 VanDerWaalsContact C-N 3.34Å
270G94.1Very high96.5Very high27 Ų2731.5 Ų31.528%0.27816%0.162SC..THydrogen-bonded Turntrans-77.8-15.6176.100000114.4I245 S268I245-G270 CarbonylContact O-C 3.5Å; I245-G270 VanDerWaalsContact O-C 3.27Å; I245-G270 VanDerWaalsContact O-CA 3.29Å; I245-G270 WeakPolarHBondContact O-CA 3.35Å; S268-G270 PolarHBondContact O-N 2.98Å; S268-G270 VanDerWaalsContact O-N 3.16Å
271V96.8Very high96.3Very high1 Ų133.9 Ų33.91%0.00618%0.181CC..  trans-89.9113.5178.6-177.60000109.1I245 L250 S268 S269 F274I245-V271 HydrophobicContact CD1-CG2 4.06Å; I245-V271 HydrophobicContact CG1-CG2 3.82Å; L250-V271 HydrophobicContact CD2-CG1 3.85Å; S268-V271 PolarHBondContact O-N 3.34Å; S268-V271 VanDerWaalsContact O-N 3.13Å; S269-V271 VanDerWaalsContact C-N 3.34Å; V271-F274 HydrophobicContact CB-CE1 4.1Å; V271-F274 HydrophobicContact CB-CE2 4.03Å; V271-F274 HydrophobicContact CB-CZ 3.66Å; V271-F274 HydrophobicContact CG1-CD1 3.95Å; V271-F274 HydrophobicContact CG1-CD2 3.93Å; V271-F274 HydrophobicContact CG1-CE1 3.69Å; V271-F274 HydrophobicContact CG1-CE2 3.67Å; V271-F274 HydrophobicContact CG1-CG 4.06Å; V271-F274 HydrophobicContact CG1-CZ 3.53Å; V271-F274 WeakPolarHBondContact O-CE2 3.49Å
272R95.9Very high96.2Very high177 Ų17738 Ų3867%0.66819%0.194SC*.  trans-98.1-20.9-179.7-61.7-167.8179.5114.3-1.2114.1N247N247-R272 WeakPolarHBondContact OD1-CA 3.39Å; N247-R272 PolarHBondContact OD1-N 3.11Å
273N96.7Very high96.1Very high69 Ų6938 Ų3837%0.36919%0.193SC..  trans-133121.5178.917520.7000110.4N247 L250 T275N247-N273 WeakPolarHBondContact ND2-CB 3.31Å; N247-N273 PolarHBondContact ND2-N 2.87Å; N247-N273 PolarHBondContact ND2-O 3.31Å; N247-N273 PolarHBondContact OD1-N 3.19Å; L250-N273 WeakPolarHBondContact CD2-O 3.32Å; N273-T275 VanDerWaalsContact CG-OG1 3.32Å; N273-T275 PolarHBondContact ND2-OG1 3.39Å; N273-T275 WeakPolarHBondContact OD1-CB 3.3Å; N273-T275 VanDerWaalsContact OD1-CG2 3.31Å; N273-T275 WeakPolarHBondContact OD1-CG2 3.18Å; N273-T275 PolarHBondContact OD1-N 3.04Å; N273-T275 PolarHBondContact OD1-OG1 3.21Å
274F98.1Very high96.2Very high1 Ų141.9 Ų41.90%0.00421%0.208CC..  trans-102.6-2-179.1-70.1-97.8000113.1V271 P276 L277 L288 N291 F295 A299V271-F274 HydrophobicContact CB-CE1 4.1Å; V271-F274 HydrophobicContact CB-CE2 4.03Å; V271-F274 HydrophobicContact CB-CZ 3.66Å; V271-F274 HydrophobicContact CG1-CD1 3.95Å; V271-F274 HydrophobicContact CG1-CD2 3.93Å; V271-F274 HydrophobicContact CG1-CE1 3.69Å; V271-F274 HydrophobicContact CG1-CE2 3.67Å; V271-F274 HydrophobicContact CG1-CG 4.06Å; V271-F274 HydrophobicContact CG1-CZ 3.53Å; V271-F274 WeakPolarHBondContact O-CE2 3.49Å; F274-P276 VanDerWaalsContact C-N 3.27Å; F274-L277 HydrophobicContact CB-CD1 4.39Å; F274-L277 HydrophobicContact CD1-CD1 3.98Å; F274-L277 WeakPolarHBondContact O-CB 3.45Å; F274-L277 WeakPolarHBondContact O-CG 3.34Å; F274-L277 PolarHBondContact O-N 3.44Å; F274-L277 VanDerWaalsContact O-N 3.12Å; F274-L288 HydrophobicContact CD1-CD1 4.25Å; F274-L288 HydrophobicContact CD1-CD2 3.89Å; F274-L288 HydrophobicContact CE1-CD2 3.91Å; F274-N291 WeakPolarHBondContact CE1-ND2 3.39Å; F274-N291 HydrophobicContact CE2-CB 4.34Å; F274-N291 HydrophobicContact CZ-CB 3.91Å; F274-N291 WeakPolarHBondContact CZ-ND2 3.48Å; F274-F295 HydrophobicContact CB-CD2 3.7Å; F274-F295 HydrophobicContact CB-CE2 3.92Å; F274-F295 HydrophobicContact CD1-CD2 4.29Å; F274-F295 HydrophobicContact CD2-CB 4.19Å; F274-F295 AromaticContact CD2-CD2 3.8Å; F274-F295 HydrophobicContact CD2-CD2 3.8Å; F274-F295 HydrophobicContact CD2-CG 4.5Å; F274-F295 HydrophobicContact CE2-CB 4.22Å; F274-F295 AromaticContact CG-CD2 3.68Å; F274-F295 HydrophobicContact CG-CD2 3.68Å; F274-F295 HydrophobicContact CG-CE2 4.31Å; F274-A299 HydrophobicContact CB-CB 3.84Å
275T97.7Very high96.2Very high47 Ų4746.7 Ų46.729%0.28822%0.223SC..G310 helixtrans-55.5-30.2178.460.60000114.7N273 L277 S278 A299N273-T275 VanDerWaalsContact CG-OG1 3.32Å; N273-T275 PolarHBondContact ND2-OG1 3.39Å; N273-T275 WeakPolarHBondContact OD1-CB 3.3Å; N273-T275 VanDerWaalsContact OD1-CG2 3.31Å; N273-T275 WeakPolarHBondContact OD1-CG2 3.18Å; N273-T275 PolarHBondContact OD1-N 3.04Å; N273-T275 PolarHBondContact OD1-OG1 3.21Å; T275-L277 PolarHBondContact O-N 3.4Å; T275-L277 VanDerWaalsContact O-N 3.13Å; T275-S278 VanDerWaalsContact O-CB 3.28Å; T275-S278 WeakPolarHBondContact O-CB 3.39Å; T275-S278 PolarHBondContact O-N 2.64Å; T275-S278 PolarHBondContact O-OG 2.86Å; T275-A299 HydrophobicContact CG2-CB 4.01Å
276P97.8Very high96.4Very high5 Ų546.9 Ų46.93%0.03223%0.225CC..G310 helixtrans-56.8-29.8176.5-29.839.4000113.9L250 E251 V254 F274 S278 R279L250-P276 HydrophobicContact CD2-CB 4.25Å; L250-P276 HydrophobicContact CD2-CG 4.24Å; L250-P276 HydrophobicContact CG-CB 4.38Å; E251-P276 WeakPolarHBondContact OE1-CB 3.23Å; E251-P276 WeakPolarHBondContact OE1-CG 3.34Å; V254-P276 HydrophobicContact CG2-CB 4.33Å; F274-P276 VanDerWaalsContact C-N 3.27Å; P276-S278 PolarHBondContact O-N 3.05Å; P276-S278 VanDerWaalsContact O-N 3.11Å; P276-R279 WeakPolarHBondContact O-CB 3.33Å; P276-R279 PolarHBondContact O-N 3.13Å
277L98Very high96.6Very high0 Ų047.4 Ų47.40%023%0.229CC..G310 helixtrans-59.1-24.8177.8-65.4-178.4000113.1L250 V254 L263 F274 T275 R279 L280 L286 L288 I303L250-L277 HydrophobicContact CD1-CD2 3.61Å; L250-L277 HydrophobicContact CD1-CG 4.21Å; L250-L277 HydrophobicContact CD2-CD2 4.49Å; L250-L277 HydrophobicContact CD2-CG 4.27Å; L250-L277 HydrophobicContact CG-CD2 4.25Å; V254-L277 HydrophobicContact CG2-CD2 4.32Å; L263-L277 HydrophobicContact CD2-CD2 3.44Å; L263-L277 VanDerWaalsContact CD2-CD2 3.44Å; F274-L277 HydrophobicContact CB-CD1 4.39Å; F274-L277 HydrophobicContact CD1-CD1 3.98Å; F274-L277 WeakPolarHBondContact O-CB 3.45Å; F274-L277 WeakPolarHBondContact O-CG 3.34Å; F274-L277 PolarHBondContact O-N 3.44Å; F274-L277 VanDerWaalsContact O-N 3.12Å; T275-L277 PolarHBondContact O-N 3.4Å; T275-L277 VanDerWaalsContact O-N 3.13Å; L277-R279 PolarHBondContact O-N 2.87Å; L277-R279 VanDerWaalsContact O-N 3.15Å; L277-L280 HydrophobicContact CD2-CD1 4Å; L277-L280 WeakPolarHBondContact O-CB 3.17Å; L277-L280 PolarHBondContact O-N 2.96Å; L277-L280 VanDerWaalsContact O-N 3.09Å; L277-L286 HydrophobicContact CD1-CD1 4.25Å; L277-L288 HydrophobicContact CD1-CD1 4.26Å; L277-L288 HydrophobicContact CD1-CD2 3.9Å; L277-I303 HydrophobicContact CB-CD1 3.97Å; L277-I303 HydrophobicContact CB-CG1 4.03Å; L277-I303 HydrophobicContact CD1-CD1 4.23Å
278S97.3Very high96.7Very high8 Ų845 Ų456%0.05622%0.22CC..G310 helixtrans-64.1-13.9176.170.80000114T275 P276 A302 K306T275-S278 VanDerWaalsContact O-CB 3.28Å; T275-S278 WeakPolarHBondContact O-CB 3.39Å; T275-S278 PolarHBondContact O-N 2.64Å; T275-S278 PolarHBondContact O-OG 2.86Å; P276-S278 PolarHBondContact O-N 3.05Å; P276-S278 VanDerWaalsContact O-N 3.11Å; S278-A302 VanDerWaalsContact CB-O 3.31Å; S278-A302 WeakPolarHBondContact CB-O 3.47Å; S278-K306 WeakPolarHBondContact O-CB 3.42Å
279R97.6Very high96.8Very high107 Ų10746.4 Ų46.440%0.40423%0.227SC..G310 helixtrans-83.8-10175.1-66-176.2-73.3156.3-2.3113.3E251 V254 N255 P276 L277 A281E251-R279 IonicContact OE1-CZ 3.76Å; E251-R279 IonicContact OE1-NH2 2.87Å; E251-R279 PolarHBondContact OE1-NH2 3.35Å; E251-R279 IonicContact OE2-CZ 2.91Å; E251-R279 IonicContact OE2-NH1 2.84Å; E251-R279 IonicContact OE2-NH2 2.97Å; E251-R279 PolarHBondContact OE2-NH2 2.69Å; V254-R279 HydrophobicContact CG1-CB 3.61Å; N255-R279 PolarHBondContact OD1-NH1 2.96Å; P276-R279 WeakPolarHBondContact O-CB 3.33Å; P276-R279 PolarHBondContact O-N 3.13Å; L277-R279 PolarHBondContact O-N 2.87Å; L277-R279 VanDerWaalsContact O-N 3.15Å; R279-A281 VanDerWaalsContact C-N 3.28Å; R279-A281 PolarHBondContact O-N 3.18Å
280L97.4Very high97.1Very high1 Ų142.2 Ų42.21%0.00520%0.199CC..  trans-78.577.3174.8-63174.2000110.2V254 L260 L263 L277 W282 L283V254-L280 HydrophobicContact CB-CD2 4.44Å; V254-L280 HydrophobicContact CG1-CD2 4.31Å; V254-L280 HydrophobicContact CG1-CG 4.47Å; V254-L280 HydrophobicContact CG2-CD1 4.26Å; V254-L280 HydrophobicContact CG2-CD2 4.26Å; V254-L280 HydrophobicContact CG2-CG 4.09Å; L260-L280 HydrophobicContact CB-CD1 4.33Å; L260-L280 HydrophobicContact CB-CD2 3.98Å; L260-L280 HydrophobicContact CD2-CD1 3.76Å; L263-L280 HydrophobicContact CD2-CD1 4.02Å; L277-L280 HydrophobicContact CD2-CD1 4Å; L277-L280 WeakPolarHBondContact O-CB 3.17Å; L277-L280 PolarHBondContact O-N 2.96Å; L277-L280 VanDerWaalsContact O-N 3.09Å; L280-W282 PolarHBondContact O-N 3.29Å; L280-W282 VanDerWaalsContact O-N 3.09Å; L280-L283 HydrophobicContact CB-CB 4.1Å; L280-L283 HydrophobicContact CD1-CD1 4.3Å; L280-L283 WeakPolarHBondContact O-CB 3.29Å; L280-L283 PolarHBondContact O-N 2.89Å; L280-L283 VanDerWaalsContact O-N 3.1Å
281A93.6Very high97.2Very high50 Ų5041.3 Ų41.341%0.41319%0.188SC..THydrogen-bonded Turntrans-59.9-24.9-172.500000114.2R279 Y309R279-A281 VanDerWaalsContact C-N 3.28Å; R279-A281 PolarHBondContact O-N 3.18Å; A281-Y309 WeakPolarHBondContact O-CD2 3.33Å
282W95.8Very high97.1Very high132 Ų13247.5 Ų47.550%0.521%0.211SC..THydrogen-bonded Turntrans-92.73.7-178.4-61.1107.6000114.5L260 L280 R284 Y309L260-W282 CarbonylContact O-C 3.55Å; L280-W282 PolarHBondContact O-N 3.29Å; L280-W282 VanDerWaalsContact O-N 3.09Å; W282-R284 PolarHBondContact O-N 2.97Å; W282-Y309 HydrophobicContact CE3-CD2 4.11Å; W282-Y309 AromaticContact CE3-CE2 3.93Å; W282-Y309 HydrophobicContact CE3-CE2 3.93Å; W282-Y309 HydrophobicContact CZ3-CD2 4.42Å; W282-Y309 AromaticContact CZ3-CE2 3.81Å; W282-Y309 HydrophobicContact CZ3-CE2 3.81Å
283L98.1Very high97Very high0 Ų044.2 Ų44.20%021%0.206CC..  trans-65.1118.1-175.6-163.872.7000111.1L260 L263 L280 L286 C307 Y309 L310L260-L283 PolarHBondContact O-N 3.27Å; L263-L283 HydrophobicContact CB-CD1 3.92Å; L280-L283 HydrophobicContact CB-CB 4.1Å; L280-L283 HydrophobicContact CD1-CD1 4.3Å; L280-L283 WeakPolarHBondContact O-CB 3.29Å; L280-L283 PolarHBondContact O-N 2.89Å; L280-L283 VanDerWaalsContact O-N 3.1Å; L283-L286 HydrophobicContact CD2-CB 3.9Å; L283-L286 HydrophobicContact CD2-CD1 4.18Å; L283-L286 HydrophobicContact CD2-CD2 3.95Å; L283-L286 HydrophobicContact CD2-CG 4.22Å; L283-L286 HydrophobicContact CG-CB 4.46Å; L283-C307 HydrophobicContact CB-CB 4.4Å; L283-Y309 CarbonylContact O-C 3.55Å; L283-L310 HydrophobicContact CD2-CD1 4.48Å; L283-L310 HydrophobicContact CG-CD1 4.45Å; L283-L310 WeakPolarHBondContact O-CA 3.19Å; L283-L310 PolarHBondContact O-N 2.99Å
284R98.6Very high96.9Very high82 Ų8244.3 Ų44.331%0.30921%0.205SC..  trans-105.2-27172.5-55.4178.4176.6-93.3-8112.8N261 W282 Y309 E311 A312N261-R284 PolarHBondContact O-N 3.4Å; N261-R284 WeakPolarHBondContact OD1-CB 3.47Å; N261-R284 VanDerWaalsContact OD1-CD 3.24Å; N261-R284 WeakPolarHBondContact OD1-CD 3.18Å; N261-R284 WeakPolarHBondContact OD1-CG 3.32Å; N261-R284 PolarHBondContact OD1-N 3.42Å; W282-R284 PolarHBondContact O-N 2.97Å; R284-Y309 WeakPolarHBondContact CA-O 3.33Å; R284-Y309 WeakPolarHBondContact CG-O 3.48Å; R284-E311 HydrophobicContact CB-CB 4.46Å; R284-E311 IonicContact CZ-OE1 3.54Å; R284-E311 IonicContact NH1-OE1 3.57Å; R284-E311 PolarHBondContact NH1-OE1 3.38Å; R284-E311 CarbonylContact O-C 3.55Å; R284-E311 WeakPolarHBondContact O-CA 3.39Å; R284-E311 PolarHBondContact O-N 3.49Å; R284-A312 PolarHBondContact O-N 3.45Å
285R98.7Very high96.8Very high125 Ų12544.2 Ų44.247%0.47220%0.204SC..EExtended strand (participates in β ladder)trans-129.8123.2-178.1-55.5-168.4174.3134.8-2.1110.9N261 A262 L263 A312N261-R285 PolarHBondContact O-N 3.13Å; A262-R285 CarbonylContact C-O 3.34Å; A262-R285 WeakPolarHBondContact CA-O 3.35Å; A262-R285 HydrophobicContact CB-CB 3.97Å; L263-R285 PolarHBondContact N-O 2.81Å; R285-A312 CarbonylContact C-O 3.53Å; R285-A312 WeakPolarHBondContact CA-O 3.47Å; R285-A312 HydrophobicContact CB-CB 4.21Å; R285-A312 HydrophobicContact CG-CB 3.9Å
286L98.5Very high96.8Very high5 Ų546.1 Ų46.13%0.02621%0.212CC..EExtended strand (participates in β ladder)trans-133.5129.6178.8-178.859.2000111.1L263 L277 L283 L288 I303 L310 A312 L313 S314L263-L286 HydrophobicContact CB-CD1 4.09Å; L263-L286 HydrophobicContact CD2-CD1 4.3Å; L263-L286 HydrophobicContact CG-CD1 4.23Å; L263-L286 CarbonylContact O-C 3.43Å; L263-L286 WeakPolarHBondContact O-CA 3.48Å; L277-L286 HydrophobicContact CD1-CD1 4.25Å; L283-L286 HydrophobicContact CD2-CB 3.9Å; L283-L286 HydrophobicContact CD2-CD1 4.18Å; L283-L286 HydrophobicContact CD2-CD2 3.95Å; L283-L286 HydrophobicContact CD2-CG 4.22Å; L283-L286 HydrophobicContact CG-CB 4.46Å; L286-L288 HydrophobicContact CD1-CD1 4.49Å; L286-L288 HydrophobicContact CD1-CD2 3.93Å; L286-L288 HydrophobicContact CD1-CG 3.99Å; L286-L288 HydrophobicContact CD2-CD1 4.01Å; L286-L288 HydrophobicContact CD2-CG 4.27Å; L286-L288 HydrophobicContact CG-CD1 4.3Å; L286-L288 HydrophobicContact CG-CD2 4.5Å; L286-L288 HydrophobicContact CG-CG 4Å; L286-I303 HydrophobicContact CD2-CD1 4.1Å; L286-I303 HydrophobicContact CD2-CG2 3.7Å; L286-L310 HydrophobicContact CB-CD1 4Å; L286-A312 PolarHBondContact N-O 3.38Å; L286-L313 HydrophobicContact CB-CD1 3.96Å; L286-L313 HydrophobicContact CD2-CD1 4.04Å; L286-L313 HydrophobicContact CG-CD1 4.07Å; L286-L313 CarbonylContact O-C 3.46Å; L286-L313 WeakPolarHBondContact O-CA 3.38Å; L286-S314 PolarHBondContact O-N 2.92Å
287A98Very high96.8Very high13 Ų1347.7 Ų47.711%0.10722%0.22CC..EExtended strand (participates in β ladder)trans-128.3119172.300000110.9L263 T264 I265 S314L263-A287 PolarHBondContact O-N 3.02Å; T264-A287 WeakPolarHBondContact CA-O 3.45Å; T264-A287 HydrophobicContact CG2-CB 3.86Å; I265-A287 PolarHBondContact N-O 2.83Å; A287-S314 WeakPolarHBondContact CA-O 3.29Å
288L97.6Very high96.8Very high0 Ų053.6 Ų53.60%025%0.252CS..  trans-117.827.8-178.4-64179.6000111.9I265 F274 L277 L286 G290 N291 F295 I303 S314 L315 C318I265-L288 HydrophobicContact CB-CD2 4.26Å; F274-L288 HydrophobicContact CD1-CD1 4.25Å; F274-L288 HydrophobicContact CD1-CD2 3.89Å; F274-L288 HydrophobicContact CE1-CD2 3.91Å; L277-L288 HydrophobicContact CD1-CD1 4.26Å; L277-L288 HydrophobicContact CD1-CD2 3.9Å; L286-L288 HydrophobicContact CD1-CD1 4.49Å; L286-L288 HydrophobicContact CD1-CD2 3.93Å; L286-L288 HydrophobicContact CD1-CG 3.99Å; L286-L288 HydrophobicContact CD2-CD1 4.01Å; L286-L288 HydrophobicContact CD2-CG 4.27Å; L286-L288 HydrophobicContact CG-CD1 4.3Å; L286-L288 HydrophobicContact CG-CD2 4.5Å; L286-L288 HydrophobicContact CG-CG 4Å; L288-G290 PolarHBondContact O-N 3.43Å; L288-N291 WeakPolarHBondContact O-CB 3.11Å; L288-N291 PolarHBondContact O-N 3.09Å; L288-N291 PolarHBondContact O-ND2 2.94Å; L288-F295 HydrophobicContact CD1-CD2 3.79Å; L288-F295 HydrophobicContact CD1-CE1 4.16Å; L288-F295 HydrophobicContact CD1-CE2 3.31Å; L288-F295 HydrophobicContact CD1-CG 4.4Å; L288-F295 HydrophobicContact CD1-CZ 3.52Å; L288-I303 HydrophobicContact CD1-CD1 4.28Å; L288-S314 PolarHBondContact N-O 2.86Å; L288-L315 HydrophobicContact CB-CD2 4.43Å; L288-C318 PolarHBondContact O-SG 3.37Å
289N96.6Very high96.9Very high29 Ų2953.5 Ų53.516%0.15525%0.251CS..THydrogen-bonded Turntrans-54.2135.4-170.9-62-12.6000112.2A266 Y267 N291 S314 E316A266-N289 CarbonylContact C-O 3.5Å; A266-N289 WeakPolarHBondContact CA-O 3.48Å; A266-N289 HydrophobicContact CB-CB 4.04Å; A266-N289 WeakPolarHBondContact CB-O 3.48Å; Y267-N289 PolarHBondContact N-O 3.12Å; N289-N291 PolarHBondContact O-N 3Å; N289-S314 PolarHBondContact ND2-OG 2.86Å; N289-S314 VanDerWaalsContact OD1-C 3.27Å; N289-S314 VanDerWaalsContact OD1-CB 3.27Å; N289-S314 WeakPolarHBondContact OD1-CB 3.43Å; N289-S314 PolarHBondContact OD1-O 2.87Å; N289-S314 PolarHBondContact OD1-OG 2.85Å; N289-E316 CarbonylContact C-O 3.59Å; N289-E316 VanDerWaalsContact CA-O 3.25Å; N289-E316 WeakPolarHBondContact CA-O 3.46Å; N289-E316 HydrophobicContact CB-CB 4.15Å; N289-E316 PolarHBondContact OD1-N 3.03Å; N289-E316 VanDerWaalsContact OD1-N 3.13Å
290G95.7Very high96.9Very high8 Ų848.4 Ų48.48%0.08223%0.232CC..THydrogen-bonded Turntrans72.37.5172.300000115.5L288 R292 E316L288-G290 PolarHBondContact O-N 3.43Å; G290-R292 PolarHBondContact O-N 2.81Å; G290-E316 PolarHBondContact N-O 3.03Å
291N96.5Very high96.9Very high8 Ų850.5 Ų50.54%0.04324%0.244CC..  trans-75.281.6166.5-63.5-37.7000108.5I265 Y267 S268 F274 L288 N289 F295I265-N291 PolarHBondContact O-ND2 3.37Å; Y267-N291 PolarHBondContact N-OD1 3.22Å; S268-N291 PolarHBondContact N-OD1 3.1Å; F274-N291 WeakPolarHBondContact CE1-ND2 3.39Å; F274-N291 HydrophobicContact CE2-CB 4.34Å; F274-N291 HydrophobicContact CZ-CB 3.91Å; F274-N291 WeakPolarHBondContact CZ-ND2 3.48Å; L288-N291 WeakPolarHBondContact O-CB 3.11Å; L288-N291 PolarHBondContact O-N 3.09Å; L288-N291 PolarHBondContact O-ND2 2.94Å; N289-N291 PolarHBondContact O-N 3Å; N291-F295 HydrophobicContact CB-CB 4.04Å
292R94.4Very high97.2Very high130 Ų13049 Ų4949%0.49123%0.231SC..  trans-77.7-33.1-164.8-78.2174.6-174.3-177.71.4114.8G290 S317 S319 S320G290-R292 PolarHBondContact O-N 2.81Å; R292-S317 WeakPolarHBondContact CG-O 3.27Å; R292-S319 WeakPolarHBondContact CB-OG 3.37Å; R292-S319 PolarHBondContact O-OG 3.43Å; R292-S320 WeakPolarHBondContact O-CB 3.18Å; R292-S320 PolarHBondContact O-N 3.49Å; R292-S320 PolarHBondContact O-OG 3.27Å
293D93.9Very high97.3Very high108 Ų10842.7 Ų42.758%0.57821%0.207SC*.SBendtrans-105.7-38.2-163.4-50.5-55.6000112.5S320D293-S320 WeakPolarHBondContact CA-OG 3.33Å; D293-S320 PolarHBondContact O-OG 3.09Å
294H94.7Very high97.2Very high71 Ų7143.1 Ų43.133%0.32921%0.21SC..SBendtrans-114.3-2.5-168.1-63.2-52.7000115.5L296H294-L296 PolarHBondContact O-N 3.23Å
295F96.8Very high97.1Very high0 Ų045.6 Ų45.60%023%0.225CC..  trans-86.7100171.3-172-115.3000109.4F274 L288 N291 A299 L300 I303 L315 C318 L321F274-F295 HydrophobicContact CB-CD2 3.7Å; F274-F295 HydrophobicContact CB-CE2 3.92Å; F274-F295 HydrophobicContact CD1-CD2 4.29Å; F274-F295 HydrophobicContact CD2-CB 4.19Å; F274-F295 AromaticContact CD2-CD2 3.8Å; F274-F295 HydrophobicContact CD2-CD2 3.8Å; F274-F295 HydrophobicContact CD2-CG 4.5Å; F274-F295 HydrophobicContact CE2-CB 4.22Å; F274-F295 AromaticContact CG-CD2 3.68Å; F274-F295 HydrophobicContact CG-CD2 3.68Å; F274-F295 HydrophobicContact CG-CE2 4.31Å; L288-F295 HydrophobicContact CD1-CD2 3.79Å; L288-F295 HydrophobicContact CD1-CE1 4.16Å; L288-F295 HydrophobicContact CD1-CE2 3.31Å; L288-F295 HydrophobicContact CD1-CG 4.4Å; L288-F295 HydrophobicContact CD1-CZ 3.52Å; N291-F295 HydrophobicContact CB-CB 4.04Å; F295-A299 HydrophobicContact CD2-CB 4.19Å; F295-A299 HydrophobicContact CE2-CB 3.92Å; F295-L300 HydrophobicContact CE1-CB 4.12Å; F295-L300 HydrophobicContact CE1-CD1 4.2Å; F295-L300 HydrophobicContact CZ-CB 3.78Å; F295-L300 HydrophobicContact CZ-CD1 3.94Å; F295-L300 HydrophobicContact CZ-CG 4.43Å; F295-I303 HydrophobicContact CE2-CD1 4.02Å; F295-I303 HydrophobicContact CZ-CD1 4.38Å; F295-L315 HydrophobicContact CD1-CD2 4.35Å; F295-L315 HydrophobicContact CE1-CD2 3.52Å; F295-L315 HydrophobicContact CZ-CD2 4.1Å; F295-C318 HydrophobicContact CD1-CB 4.16Å; F295-L321 HydrophobicContact CD1-CD1 3.93Å; F295-L321 HydrophobicContact CD1-CD2 3.89Å; F295-L321 HydrophobicContact CD1-CG 4.08Å; F295-L321 HydrophobicContact CE1-CD1 3.89Å; F295-L321 HydrophobicContact CE1-CD2 3.91Å; F295-L321 HydrophobicContact CE1-CG 4.33Å
296L97.1Very high97Very high86 Ų8645.3 Ų45.345%0.4523%0.227SC..  trans-107.7168-172.3-57.6174.6000112.1H294 D298 A299 L300H294-L296 PolarHBondContact O-N 3.23Å; L296-D298 VanDerWaalsContact C-N 3.33Å; L296-D298 PolarHBondContact O-N 2.77Å; L296-A299 PolarHBondContact O-N 3.25Å; L296-A299 VanDerWaalsContact O-N 3.11Å; L296-L300 PolarHBondContact O-N 3.46Å
297D98.4Very high97Very high39 Ų3945.1 Ų45.121%0.20923%0.226CC..Hα-helixtrans-54.4-44.1-175.7-61.4-13.6000113A299 L300 N301 L321 S322 G325D297-A299 VanDerWaalsContact C-N 3.29Å; D297-A299 PolarHBondContact O-N 3.1Å; D297-L300 PolarHBondContact O-N 3.02Å; D297-L300 VanDerWaalsContact O-N 3.15Å; D297-N301 WeakPolarHBondContact O-CB 3.43Å; D297-N301 VanDerWaalsContact O-CG 3.25Å; D297-N301 PolarHBondContact O-N 3.22Å; D297-N301 PolarHBondContact O-ND2 3.45Å; D297-L321 WeakPolarHBondContact OD1-CA 3.49Å; D297-S322 PolarHBondContact OD1-N 3.16Å; D297-S322 WeakPolarHBondContact OD2-CB 3.24Å; D297-S322 PolarHBondContact OD2-OG 2.9Å; D297-G325 VanDerWaalsContact CG-CA 3.48Å
298D98Very high96.8Very high124 Ų12449.3 Ų49.366%0.66325%0.25SS*.Hα-helixtrans-59.5-38.7179.8-67.8-28.2000112.9L296 A302L296-D298 VanDerWaalsContact C-N 3.33Å; L296-D298 PolarHBondContact O-N 2.77Å; D298-A302 WeakPolarHBondContact O-CB 3.09Å; D298-A302 PolarHBondContact O-N 3.37Å
299A98.1Very high96.8Very high5 Ų554.4 Ų54.44%0.04127%0.27CS..Hα-helixtrans-69.4-43.7177.300000111.2F274 T275 F295 L296 D297 N301 A302 I303F274-A299 HydrophobicContact CB-CB 3.84Å; T275-A299 HydrophobicContact CG2-CB 4.01Å; F295-A299 HydrophobicContact CD2-CB 4.19Å; F295-A299 HydrophobicContact CE2-CB 3.92Å; L296-A299 PolarHBondContact O-N 3.25Å; L296-A299 VanDerWaalsContact O-N 3.11Å; D297-A299 VanDerWaalsContact C-N 3.29Å; D297-A299 PolarHBondContact O-N 3.1Å; A299-N301 VanDerWaalsContact C-N 3.33Å; A299-A302 PolarHBondContact O-N 3.11Å; A299-I303 WeakPolarHBondContact O-CB 3.2Å; A299-I303 WeakPolarHBondContact O-CD1 3.46Å; A299-I303 WeakPolarHBondContact O-CG1 3.25Å; A299-I303 PolarHBondContact O-N 3.18Å
300L98.5Very high96.8Very high1 Ų153 Ų531%0.00526%0.263CS..Hα-helixtrans-61.9-43.5175.6-179.161.2000111.3F295 L296 D297 I303 C304 L313 L315 L321 L326 V328 L329F295-L300 HydrophobicContact CE1-CB 4.12Å; F295-L300 HydrophobicContact CE1-CD1 4.2Å; F295-L300 HydrophobicContact CZ-CB 3.78Å; F295-L300 HydrophobicContact CZ-CD1 3.94Å; F295-L300 HydrophobicContact CZ-CG 4.43Å; L296-L300 PolarHBondContact O-N 3.46Å; D297-L300 PolarHBondContact O-N 3.02Å; D297-L300 VanDerWaalsContact O-N 3.15Å; L300-I303 PolarHBondContact O-N 3.09Å; L300-C304 WeakPolarHBondContact O-CB 3.36Å; L300-C304 PolarHBondContact O-N 2.85Å; L300-C304 PolarHBondContact O-SG 3.31Å; L300-L313 HydrophobicContact CD1-CD2 4.14Å; L300-L315 HydrophobicContact CD1-CD1 3.89Å; L300-L315 HydrophobicContact CD1-CD2 4.43Å; L300-L315 HydrophobicContact CD2-CD1 4.06Å; L300-L321 HydrophobicContact CB-CD2 4.09Å; L300-L321 HydrophobicContact CD2-CD1 4.15Å; L300-L321 HydrophobicContact CD2-CD2 3.97Å; L300-L326 HydrophobicContact CD2-CD2 4.17Å; L300-V328 HydrophobicContact CD2-CG1 4.1Å; L300-V328 HydrophobicContact CG-CG1 3.79Å; L300-L329 HydrophobicContact CD1-CD2 4.13Å; L300-L329 HydrophobicContact CD2-CD2 4.38Å; L300-L329 HydrophobicContact CD2-CG 4.5Å
301N98.3Very high97Very high45 Ų4554.9 Ų54.924%0.24127%0.269CS..Hα-helixtrans-58.4-52.5176.7-77.4-24.5000111.3D297 A299 I303 C304 Q305 V328D297-N301 WeakPolarHBondContact O-CB 3.43Å; D297-N301 VanDerWaalsContact O-CG 3.25Å; D297-N301 PolarHBondContact O-N 3.22Å; D297-N301 PolarHBondContact O-ND2 3.45Å; A299-N301 VanDerWaalsContact C-N 3.33Å; N301-I303 VanDerWaalsContact C-N 3.32Å; N301-I303 PolarHBondContact O-N 2.9Å; N301-C304 PolarHBondContact O-N 3.24Å; N301-Q305 WeakPolarHBondContact O-CB 3.33Å; N301-Q305 VanDerWaalsContact O-CG 3.28Å; N301-Q305 WeakPolarHBondContact O-CG 3.25Å; N301-Q305 PolarHBondContact O-N 2.79Å; N301-V328 WeakPolarHBondContact OD1-CB 3.31Å; N301-V328 VanDerWaalsContact OD1-CG1 3.24Å; N301-V328 WeakPolarHBondContact OD1-CG1 3.43Å; N301-V328 WeakPolarHBondContact OD1-CG2 3.3Å
302A98Very high97.1Very high18 Ų1855.2 Ų55.215%0.14927%0.273CS..Hα-helixtrans-59.5-42.7179.500000112.2S278 D298 A299 K306S278-A302 VanDerWaalsContact CB-O 3.31Å; S278-A302 WeakPolarHBondContact CB-O 3.47Å; D298-A302 WeakPolarHBondContact O-CB 3.09Å; D298-A302 PolarHBondContact O-N 3.37Å; A299-A302 PolarHBondContact O-N 3.11Å; A302-K306 WeakPolarHBondContact O-CB 3.41Å; A302-K306 WeakPolarHBondContact O-CG 3.37Å; A302-K306 PolarHBondContact O-N 2.94Å; A302-K306 VanDerWaalsContact O-N 3.11Å
303I98.2Very high97.3Very high0 Ų049.2 Ų49.20%025%0.251CS..Hα-helixtrans-63.7-50.5177.8-68.9163.9000110.5L277 L286 L288 F295 A299 L300 N301 Q305 K306 C307L277-I303 HydrophobicContact CB-CD1 3.97Å; L277-I303 HydrophobicContact CB-CG1 4.03Å; L277-I303 HydrophobicContact CD1-CD1 4.23Å; L286-I303 HydrophobicContact CD2-CD1 4.1Å; L286-I303 HydrophobicContact CD2-CG2 3.7Å; L288-I303 HydrophobicContact CD1-CD1 4.28Å; F295-I303 HydrophobicContact CE2-CD1 4.02Å; F295-I303 HydrophobicContact CZ-CD1 4.38Å; A299-I303 WeakPolarHBondContact O-CB 3.2Å; A299-I303 WeakPolarHBondContact O-CD1 3.46Å; A299-I303 WeakPolarHBondContact O-CG1 3.25Å; A299-I303 PolarHBondContact O-N 3.18Å; L300-I303 PolarHBondContact O-N 3.09Å; N301-I303 VanDerWaalsContact C-N 3.32Å; N301-I303 PolarHBondContact O-N 2.9Å; I303-Q305 VanDerWaalsContact C-N 3.29Å; I303-Q305 PolarHBondContact O-N 3.29Å; I303-K306 PolarHBondContact O-N 2.85Å; I303-C307 HydrophobicContact CG2-CB 4.48Å; I303-C307 WeakPolarHBondContact O-CB 3.45Å; I303-C307 PolarHBondContact O-N 2.95Å; I303-C307 PolarHBondContact O-SG 3.14Å
304C97.6Very high97.5Very high8 Ų844.9 Ų44.95%0.05423%0.229CC..Hα-helixtrans-64.9-32.7-177.2-67.10000112.7L300 N301 V328 V332L300-C304 WeakPolarHBondContact O-CB 3.36Å; L300-C304 PolarHBondContact O-N 2.85Å; L300-C304 PolarHBondContact O-SG 3.31Å; N301-C304 PolarHBondContact O-N 3.24Å; C304-V328 HydrophobicContact CB-CG1 4.08Å; C304-V328 HydrophobicContact CB-CG2 3.89Å; C304-V332 HydrophobicContact CB-CG2 3.62Å
305Q96.4Very high97.7Very high135 Ų13541.5 Ų41.563%0.63121%0.213SC*.Hα-helixtrans-76.2-36.5178.4-72.1178.10.400113.4N301 I303N301-Q305 WeakPolarHBondContact O-CB 3.33Å; N301-Q305 VanDerWaalsContact O-CG 3.28Å; N301-Q305 WeakPolarHBondContact O-CG 3.25Å; N301-Q305 PolarHBondContact O-N 2.79Å; I303-Q305 VanDerWaalsContact C-N 3.29Å; I303-Q305 PolarHBondContact O-N 3.29Å
306K96.5Very high97.7Very high119 Ų11944 Ų4452%0.51723%0.225SC..Hα-helixtrans-98.4-30.6-173.3-63.3-169.3-175.2173.10114.2S278 A302 I303 V308S278-K306 WeakPolarHBondContact O-CB 3.42Å; A302-K306 WeakPolarHBondContact O-CB 3.41Å; A302-K306 WeakPolarHBondContact O-CG 3.37Å; A302-K306 PolarHBondContact O-N 2.94Å; A302-K306 VanDerWaalsContact O-N 3.11Å; I303-K306 PolarHBondContact O-N 2.85Å; K306-V308 VanDerWaalsContact C-N 3.25Å; K306-V308 PolarHBondContact O-N 3.29Å
307C96.8Very high97.7Very high0 Ų040.7 Ų40.70%021%0.209CC..  trans-83.768.2177.5-58.30000110.4L283 I303 Y309 L310L283-C307 HydrophobicContact CB-CB 4.4Å; I303-C307 HydrophobicContact CG2-CB 4.48Å; I303-C307 WeakPolarHBondContact O-CB 3.45Å; I303-C307 PolarHBondContact O-N 2.95Å; I303-C307 PolarHBondContact O-SG 3.14Å; C307-Y309 PolarHBondContact O-N 2.64Å; C307-Y309 VanDerWaalsContact O-N 3.1Å; C307-L310 HydrophobicContact CB-CB 4.32Å; C307-L310 VanDerWaalsContact O-CB 3.22Å; C307-L310 WeakPolarHBondContact O-CB 3.5Å; C307-L310 PolarHBondContact O-N 3.28Å
308V94.7Very high97.6Very high102 Ų10238.9 Ų38.962%0.61820%0.199SC*.THydrogen-bonded Turntrans-63.4-18.5-171.8-62.40000114.7K306K306-V308 VanDerWaalsContact C-N 3.25Å; K306-V308 PolarHBondContact O-N 3.29Å
309Y96.8Very high97.5Very high106 Ų10636 Ų3642%0.41619%0.189SC..THydrogen-bonded Turntrans-94.59.2176.8-59.3-67.5000113.7A281 W282 L283 R284 C307 E311A281-Y309 WeakPolarHBondContact O-CD2 3.33Å; W282-Y309 HydrophobicContact CE3-CD2 4.11Å; W282-Y309 AromaticContact CE3-CE2 3.93Å; W282-Y309 HydrophobicContact CE3-CE2 3.93Å; W282-Y309 HydrophobicContact CZ3-CD2 4.42Å; W282-Y309 AromaticContact CZ3-CE2 3.81Å; W282-Y309 HydrophobicContact CZ3-CE2 3.81Å; L283-Y309 CarbonylContact O-C 3.55Å; R284-Y309 WeakPolarHBondContact CA-O 3.33Å; R284-Y309 WeakPolarHBondContact CG-O 3.48Å; C307-Y309 PolarHBondContact O-N 2.64Å; C307-Y309 VanDerWaalsContact O-N 3.1Å; Y309-E311 PolarHBondContact O-N 2.65Å
310L98.3Very high97.4Very high0 Ų038 Ų380%020%0.203CC..  trans-62.7121.1-177.6-16770.8000111.4L283 L286 C307 L313 V332 G334L283-L310 HydrophobicContact CD2-CD1 4.48Å; L283-L310 HydrophobicContact CG-CD1 4.45Å; L283-L310 WeakPolarHBondContact O-CA 3.19Å; L283-L310 PolarHBondContact O-N 2.99Å; L286-L310 HydrophobicContact CB-CD1 4Å; C307-L310 HydrophobicContact CB-CB 4.32Å; C307-L310 VanDerWaalsContact O-CB 3.22Å; C307-L310 WeakPolarHBondContact O-CB 3.5Å; C307-L310 PolarHBondContact O-N 3.28Å; L310-L313 HydrophobicContact CD2-CB 4.18Å; L310-L313 HydrophobicContact CD2-CD1 4.39Å; L310-L313 HydrophobicContact CD2-CD2 4.15Å; L310-L313 HydrophobicContact CD2-CG 4.47Å; L310-V332 HydrophobicContact CB-CG1 3.97Å; L310-V332 HydrophobicContact CD2-CG1 4.37Å; L310-V332 WeakPolarHBondContact O-CG1 3.25Å; L310-G334 CarbonylContact O-C 3.37Å
311E98.5Very high97.4Very high48 Ų4838.2 Ų38.222%0.22420%0.204CC..  trans-114.7-30.2-178.3-72.1178.3-162.600112.4R284 Y309 R336 E337R284-E311 HydrophobicContact CB-CB 4.46Å; R284-E311 IonicContact CZ-OE1 3.54Å; R284-E311 IonicContact NH1-OE1 3.57Å; R284-E311 PolarHBondContact NH1-OE1 3.38Å; R284-E311 CarbonylContact O-C 3.55Å; R284-E311 WeakPolarHBondContact O-CA 3.39Å; R284-E311 PolarHBondContact O-N 3.49Å; Y309-E311 PolarHBondContact O-N 2.65Å; E311-R336 HydrophobicContact CB-CG 4.37Å; E311-R336 WeakPolarHBondContact O-CA 3.03Å; E311-R336 WeakPolarHBondContact O-CB 3.47Å; E311-R336 PolarHBondContact O-N 2.82Å; E311-R336 IonicContact OE2-NE 3.43Å; E311-E337 PolarHBondContact O-N 3.04Å
312A98.7Very high97.4Very high14 Ų1438.1 Ų38.112%0.11621%0.207CC..EExtended strand (participates in β ladder)trans-131.4125.1178.900000110.8R284 R285 L286 E337R284-A312 PolarHBondContact O-N 3.45Å; R285-A312 CarbonylContact C-O 3.53Å; R285-A312 WeakPolarHBondContact CA-O 3.47Å; R285-A312 HydrophobicContact CB-CB 4.21Å; R285-A312 HydrophobicContact CG-CB 3.9Å; L286-A312 PolarHBondContact N-O 3.38Å; A312-E337 CarbonylContact C-O 3.58Å; A312-E337 WeakPolarHBondContact CA-O 3.32Å; A312-E337 HydrophobicContact CB-CB 3.83Å; A312-E337 HydrophobicContact CB-CG 4.28Å
313L98.6Very high97.4Very high4 Ų440.5 Ų40.52%0.02122%0.215CC..EExtended strand (participates in β ladder)trans-131.5127.8178.2-176.959.1000110.9L286 L300 L310 L315 L329 L335 E337 L338 N339L286-L313 HydrophobicContact CB-CD1 3.96Å; L286-L313 HydrophobicContact CD2-CD1 4.04Å; L286-L313 HydrophobicContact CG-CD1 4.07Å; L286-L313 CarbonylContact O-C 3.46Å; L286-L313 WeakPolarHBondContact O-CA 3.38Å; L300-L313 HydrophobicContact CD1-CD2 4.14Å; L310-L313 HydrophobicContact CD2-CB 4.18Å; L310-L313 HydrophobicContact CD2-CD1 4.39Å; L310-L313 HydrophobicContact CD2-CD2 4.15Å; L310-L313 HydrophobicContact CD2-CG 4.47Å; L313-L315 HydrophobicContact CD1-CD2 3.87Å; L313-L315 HydrophobicContact CD1-CG 4.33Å; L313-L315 HydrophobicContact CD2-CD1 4.2Å; L313-L315 HydrophobicContact CD2-CD2 4.45Å; L313-L315 HydrophobicContact CD2-CG 4.29Å; L313-L315 HydrophobicContact CG-CD1 4.47Å; L313-L315 HydrophobicContact CG-CD2 4.13Å; L313-L315 HydrophobicContact CG-CG 4.03Å; L313-L329 HydrophobicContact CD2-CD2 3.44Å; L313-L329 VanDerWaalsContact CD2-CD2 3.44Å; L313-L335 HydrophobicContact CB-CD1 3.97Å; L313-E337 PolarHBondContact N-O 3.24Å; L313-L338 HydrophobicContact CB-CD1 4.36Å; L313-L338 WeakPolarHBondContact O-CA 3.22Å; L313-N339 PolarHBondContact O-N 3.03Å
314S98.5Very high97.4Very high18 Ų1848.4 Ų48.413%0.12625%0.252CS..EExtended strand (participates in β ladder)trans-123.3118.1175.6-170.50000110.5L286 A287 L288 N289 N339L286-S314 PolarHBondContact O-N 2.92Å; A287-S314 WeakPolarHBondContact CA-O 3.29Å; L288-S314 PolarHBondContact N-O 2.86Å; N289-S314 PolarHBondContact ND2-OG 2.86Å; N289-S314 VanDerWaalsContact OD1-C 3.27Å; N289-S314 VanDerWaalsContact OD1-CB 3.27Å; N289-S314 WeakPolarHBondContact OD1-CB 3.43Å; N289-S314 PolarHBondContact OD1-O 2.87Å; N289-S314 PolarHBondContact OD1-OG 2.85Å; S314-N339 WeakPolarHBondContact OG-CB 3.22Å; S314-N339 PolarHBondContact OG-ND2 3.29Å; S314-N339 VanDerWaalsContact OG-ND2 3.12Å
315L98.3Very high97.4Very high0 Ų048.2 Ų48.20%025%0.251CS..  trans-118.928179.6-55.9-178.9000110.6L288 F295 L300 L313 S317 C318 L321 L326 L329 N339 V343L288-L315 HydrophobicContact CB-CD2 4.43Å; F295-L315 HydrophobicContact CD1-CD2 4.35Å; F295-L315 HydrophobicContact CE1-CD2 3.52Å; F295-L315 HydrophobicContact CZ-CD2 4.1Å; L300-L315 HydrophobicContact CD1-CD1 3.89Å; L300-L315 HydrophobicContact CD1-CD2 4.43Å; L300-L315 HydrophobicContact CD2-CD1 4.06Å; L313-L315 HydrophobicContact CD1-CD2 3.87Å; L313-L315 HydrophobicContact CD1-CG 4.33Å; L313-L315 HydrophobicContact CD2-CD1 4.2Å; L313-L315 HydrophobicContact CD2-CD2 4.45Å; L313-L315 HydrophobicContact CD2-CG 4.29Å; L313-L315 HydrophobicContact CG-CD1 4.47Å; L313-L315 HydrophobicContact CG-CD2 4.13Å; L313-L315 HydrophobicContact CG-CG 4.03Å; L315-S317 PolarHBondContact O-N 3.36Å; L315-C318 HydrophobicContact CB-CB 4.27Å; L315-C318 WeakPolarHBondContact O-CB 3.32Å; L315-C318 PolarHBondContact O-N 2.82Å; L315-L321 HydrophobicContact CD1-CD1 3.93Å; L315-L326 HydrophobicContact CD1-CD2 4.34Å; L315-L329 HydrophobicContact CD1-CD1 4.46Å; L315-L329 HydrophobicContact CD1-CD2 4.17Å; L315-N339 PolarHBondContact N-O 2.78Å; L315-V343 WeakPolarHBondContact O-CG2 3.03Å
316E97.6Very high97.5Very high51 Ų5141.8 Ų41.824%0.23822%0.221CC..THydrogen-bonded Turntrans-57.1127.4-174.3170.6173.7166.700110.5N289 G290 C318 N339 T341N289-E316 CarbonylContact C-O 3.59Å; N289-E316 VanDerWaalsContact CA-O 3.25Å; N289-E316 WeakPolarHBondContact CA-O 3.46Å; N289-E316 HydrophobicContact CB-CB 4.15Å; N289-E316 PolarHBondContact OD1-N 3.03Å; N289-E316 VanDerWaalsContact OD1-N 3.13Å; G290-E316 PolarHBondContact N-O 3.03Å; E316-C318 PolarHBondContact O-N 3.28Å; E316-N339 PolarHBondContact OE2-ND2 3.23Å; E316-T341 CarbonylContact C-O 3.59Å; E316-T341 WeakPolarHBondContact CA-O 3.43Å; E316-T341 HydrophobicContact CG-CG2 4.1Å
317S96.7Very high97.6Very high18 Ų1839.8 Ų39.813%0.12621%0.214CC..THydrogen-bonded Turntrans58.127.2-178-50.20000114.9R292 L315 S319 T341R292-S317 WeakPolarHBondContact CG-O 3.27Å; L315-S317 PolarHBondContact O-N 3.36Å; S317-S319 PolarHBondContact O-N 2.84Å; S317-T341 PolarHBondContact N-O 3.22Å
318C97.4Very high97.6Very high0 Ų040.7 Ų40.70%022%0.22CC..  trans-81.394.8166-69.30000109.8L288 F295 L315 E316 L321L288-C318 PolarHBondContact O-SG 3.37Å; F295-C318 HydrophobicContact CD1-CB 4.16Å; L315-C318 HydrophobicContact CB-CB 4.27Å; L315-C318 WeakPolarHBondContact O-CB 3.32Å; L315-C318 PolarHBondContact O-N 2.82Å; E316-C318 PolarHBondContact O-N 3.28Å; C318-L321 HydrophobicContact CB-CD1 3.82Å; C318-L321 HydrophobicContact CB-CG 4.4Å
319S94.7Very high97.8Very high65 Ų6535.9 Ų35.946%0.45519%0.191SC..  trans-86.3-20.9-170.3420000115.9R292 S317 L321R292-S319 WeakPolarHBondContact CB-OG 3.37Å; R292-S319 PolarHBondContact O-OG 3.43Å; S317-S319 PolarHBondContact O-N 2.84Å; S319-L321 VanDerWaalsContact C-N 3.3Å; S319-L321 PolarHBondContact O-N 3.49Å
320S96.6Very high97.8Very high47 Ų4731.3 Ų31.333%0.32918%0.175SC..SBendtrans-80.2-4-179.2-69.40000115R292 D293R292-S320 WeakPolarHBondContact O-CB 3.18Å; R292-S320 PolarHBondContact O-N 3.49Å; R292-S320 PolarHBondContact O-OG 3.27Å; D293-S320 WeakPolarHBondContact CA-OG 3.33Å; D293-S320 PolarHBondContact O-OG 3.09Å
321L98.2Very high97.8Very high4 Ų434.3 Ų34.32%0.02120%0.196CC..  trans-74.6136176.7-64.4169.1000110.4F295 D297 L300 L315 C318 S319 L326 S345F295-L321 HydrophobicContact CD1-CD1 3.93Å; F295-L321 HydrophobicContact CD1-CD2 3.89Å; F295-L321 HydrophobicContact CD1-CG 4.08Å; F295-L321 HydrophobicContact CE1-CD1 3.89Å; F295-L321 HydrophobicContact CE1-CD2 3.91Å; F295-L321 HydrophobicContact CE1-CG 4.33Å; D297-L321 WeakPolarHBondContact OD1-CA 3.49Å; L300-L321 HydrophobicContact CB-CD2 4.09Å; L300-L321 HydrophobicContact CD2-CD1 4.15Å; L300-L321 HydrophobicContact CD2-CD2 3.97Å; L315-L321 HydrophobicContact CD1-CD1 3.93Å; C318-L321 HydrophobicContact CB-CD1 3.82Å; C318-L321 HydrophobicContact CB-CG 4.4Å; S319-L321 VanDerWaalsContact C-N 3.3Å; S319-L321 PolarHBondContact O-N 3.49Å; L321-L326 HydrophobicContact CB-CD2 4.28Å; L321-L326 HydrophobicContact CB-CG 4.19Å; L321-L326 HydrophobicContact CD1-CD2 3.88Å; L321-S345 WeakPolarHBondContact O-CB 3.28Å; L321-S345 PolarHBondContact O-OG 3Å
322S98.1Very high97.7Very high43 Ų4332.4 Ų32.430%0.30119%0.188SC..  trans-84.8167.517380.50000111.8D297 E324 G325 L326D297-S322 PolarHBondContact OD1-N 3.16Å; D297-S322 WeakPolarHBondContact OD2-CB 3.24Å; D297-S322 PolarHBondContact OD2-OG 2.9Å; S322-E324 VanDerWaalsContact C-N 3.31Å; S322-E324 PolarHBondContact OG-N 2.87Å; S322-G325 PolarHBondContact O-N 2.93Å; S322-G325 PolarHBondContact OG-N 3.07Å; S322-L326 WeakPolarHBondContact O-CD1 3.48Å; S322-L326 VanDerWaalsContact O-CG 3.25Å; S322-L326 WeakPolarHBondContact O-CG 3.46Å; S322-L326 PolarHBondContact O-N 3.05Å; S322-L326 VanDerWaalsContact O-N 3.09Å
323E98.2Very high97.6Very high69 Ų6940.4 Ų40.432%0.32222%0.215SC..Hα-helixtrans-60.3-43.5171.8176.7173.5-174.100111.1L326 M327 T347 S349E323-L326 PolarHBondContact O-N 2.79Å; E323-M327 WeakPolarHBondContact O-CG 3.35Å; E323-M327 PolarHBondContact O-N 2.79Å; E323-T347 VanDerWaalsContact CD-CG2 3.44Å; E323-T347 HydrophobicContact CG-CG2 4.06Å; E323-T347 WeakPolarHBondContact OE1-CB 3.46Å; E323-T347 PolarHBondContact OE1-OG1 3.16Å; E323-T347 WeakPolarHBondContact OE2-CG2 3.31Å; E323-S349 WeakPolarHBondContact OE1-CB 3.28Å; E323-S349 PolarHBondContact OE1-OG 2.98Å
324E98Very high97.5Very high166 Ų16641.6 Ų41.678%0.77623%0.228SC*.Hα-helixtrans-62.5-45.4178.6-175.1174.9-177.100111.4S322 L326 M327S322-E324 VanDerWaalsContact C-N 3.31Å; S322-E324 PolarHBondContact OG-N 2.87Å; E324-L326 VanDerWaalsContact C-N 3.28Å; E324-L326 PolarHBondContact O-N 3.13Å; E324-M327 VanDerWaalsContact O-CB 3.32Å; E324-M327 WeakPolarHBondContact O-CB 3.42Å; E324-M327 PolarHBondContact O-N 2.6Å; E324-M327 VanDerWaalsContact O-N 3.11Å
325G97.9Very high97.5Very high3 Ų340.7 Ų40.73%0.03122%0.222CC..Hα-helixtrans-61.3-34.6175.500000113.5D297 S322 M327 V328D297-G325 VanDerWaalsContact CG-CA 3.48Å; S322-G325 PolarHBondContact O-N 2.93Å; S322-G325 PolarHBondContact OG-N 3.07Å; G325-M327 VanDerWaalsContact C-N 3.28Å; G325-M327 PolarHBondContact O-N 3.13Å; G325-V328 WeakPolarHBondContact O-CG1 3.37Å
326L98.6Very high97.5Very high1 Ų145.2 Ų45.21%0.00524%0.239CC..Hα-helixtrans-71.3-19.9177.2-73165.5000113.4L300 L315 L321 S322 E323 E324 V328 L329 V343 S345 F346L300-L326 HydrophobicContact CD2-CD2 4.17Å; L315-L326 HydrophobicContact CD1-CD2 4.34Å; L321-L326 HydrophobicContact CB-CD2 4.28Å; L321-L326 HydrophobicContact CB-CG 4.19Å; L321-L326 HydrophobicContact CD1-CD2 3.88Å; S322-L326 WeakPolarHBondContact O-CD1 3.48Å; S322-L326 VanDerWaalsContact O-CG 3.25Å; S322-L326 WeakPolarHBondContact O-CG 3.46Å; S322-L326 PolarHBondContact O-N 3.05Å; S322-L326 VanDerWaalsContact O-N 3.09Å; E323-L326 PolarHBondContact O-N 2.79Å; E324-L326 VanDerWaalsContact C-N 3.28Å; E324-L326 PolarHBondContact O-N 3.13Å; L326-V328 PolarHBondContact O-N 2.54Å; L326-L329 HydrophobicContact CB-CD1 4.47Å; L326-L329 HydrophobicContact CD2-CD1 3.81Å; L326-L329 VanDerWaalsContact O-CB 3.28Å; L326-L329 WeakPolarHBondContact O-CB 3.31Å; L326-L329 VanDerWaalsContact O-CG 3.22Å; L326-L329 WeakPolarHBondContact O-CG 3.1Å; L326-L329 PolarHBondContact O-N 3.15Å; L326-L329 VanDerWaalsContact O-N 3.11Å; L326-V343 HydrophobicContact CD1-CG1 3.7Å; L326-V343 HydrophobicContact CD2-CG1 4.32Å; L326-S345 WeakPolarHBondContact CD1-OG 3.27Å; L326-F346 HydrophobicContact CD1-CB 4.19Å; L326-F346 HydrophobicContact CD1-CD2 4.21Å
327M98.3Very high97.5Very high76 Ų7646.6 Ų46.637%0.37425%0.245SC..G310 helixtrans-61.4-26.2178.7-66.2-61-71.100112.5E323 E324 G325 L329 A330 A353E323-M327 WeakPolarHBondContact O-CG 3.35Å; E323-M327 PolarHBondContact O-N 2.79Å; E324-M327 VanDerWaalsContact O-CB 3.32Å; E324-M327 WeakPolarHBondContact O-CB 3.42Å; E324-M327 PolarHBondContact O-N 2.6Å; E324-M327 VanDerWaalsContact O-N 3.11Å; G325-M327 VanDerWaalsContact C-N 3.28Å; G325-M327 PolarHBondContact O-N 3.13Å; M327-L329 PolarHBondContact O-N 2.82Å; M327-L329 VanDerWaalsContact O-N 3.14Å; M327-A330 WeakPolarHBondContact O-CB 3.36Å; M327-A330 PolarHBondContact O-N 3.25Å; M327-A330 VanDerWaalsContact O-N 3.12Å; M327-A353 HydrophobicContact CE-CB 3.6Å; M327-A353 HydrophobicContact SD-CB 4.31Å
328V98Very high97.6Very high20 Ų2045.9 Ų45.912%0.12124%0.24CC..G310 helixtrans-62.4-21.5177.679.40000113.2L300 N301 C304 G325 L326 A330 S331L300-V328 HydrophobicContact CD2-CG1 4.1Å; L300-V328 HydrophobicContact CG-CG1 3.79Å; N301-V328 WeakPolarHBondContact OD1-CB 3.31Å; N301-V328 VanDerWaalsContact OD1-CG1 3.24Å; N301-V328 WeakPolarHBondContact OD1-CG1 3.43Å; N301-V328 WeakPolarHBondContact OD1-CG2 3.3Å; C304-V328 HydrophobicContact CB-CG1 4.08Å; C304-V328 HydrophobicContact CB-CG2 3.89Å; G325-V328 WeakPolarHBondContact O-CG1 3.37Å; L326-V328 PolarHBondContact O-N 2.54Å; V328-A330 PolarHBondContact O-N 2.84Å; V328-A330 VanDerWaalsContact O-N 3.15Å; V328-S331 VanDerWaalsContact O-CB 3.27Å; V328-S331 WeakPolarHBondContact O-CB 3.34Å; V328-S331 PolarHBondContact O-N 3.02Å; V328-S331 PolarHBondContact O-OG 3.17Å
329L98.2Very high97.7Very high0 Ų047 Ų470%025%0.246CC..G310 helixtrans-56.9-31.4175.6-66175.7000112L300 L313 L315 L326 M327 S331 V332 L338 V340 F346 I354L300-L329 HydrophobicContact CD1-CD2 4.13Å; L300-L329 HydrophobicContact CD2-CD2 4.38Å; L300-L329 HydrophobicContact CD2-CG 4.5Å; L313-L329 HydrophobicContact CD2-CD2 3.44Å; L313-L329 VanDerWaalsContact CD2-CD2 3.44Å; L315-L329 HydrophobicContact CD1-CD1 4.46Å; L315-L329 HydrophobicContact CD1-CD2 4.17Å; L326-L329 HydrophobicContact CB-CD1 4.47Å; L326-L329 HydrophobicContact CD2-CD1 3.81Å; L326-L329 VanDerWaalsContact O-CB 3.28Å; L326-L329 WeakPolarHBondContact O-CB 3.31Å; L326-L329 VanDerWaalsContact O-CG 3.22Å; L326-L329 WeakPolarHBondContact O-CG 3.1Å; L326-L329 PolarHBondContact O-N 3.15Å; L326-L329 VanDerWaalsContact O-N 3.11Å; M327-L329 PolarHBondContact O-N 2.82Å; M327-L329 VanDerWaalsContact O-N 3.14Å; L329-S331 PolarHBondContact O-N 3.26Å; L329-V332 PolarHBondContact O-N 3.43Å; L329-L338 HydrophobicContact CD1-CD1 4.36Å; L329-L338 HydrophobicContact CD1-CD2 4.41Å; L329-L338 HydrophobicContact CD2-CD1 4.46Å; L329-V340 HydrophobicContact CD1-CG1 4.29Å; L329-F346 HydrophobicContact CD1-CE2 4.44Å; L329-I354 HydrophobicContact CB-CD1 4.04Å; L329-I354 HydrophobicContact CB-CG1 4.08Å; L329-I354 HydrophobicContact CD1-CD1 4.13Å
330A97.5Very high97.8Very high11 Ų1143.9 Ų43.99%0.09122%0.224CC..G310 helixtrans-68.1-17.8176.300000113.4M327 V328 V332 A353 N357M327-A330 WeakPolarHBondContact O-CB 3.36Å; M327-A330 PolarHBondContact O-N 3.25Å; M327-A330 VanDerWaalsContact O-N 3.12Å; V328-A330 PolarHBondContact O-N 2.84Å; V328-A330 VanDerWaalsContact O-N 3.15Å; A330-V332 VanDerWaalsContact C-N 3.29Å; A330-A353 HydrophobicContact CB-CB 3.77Å; A330-A353 WeakPolarHBondContact CB-O 3.48Å; A330-N357 HydrophobicContact CB-CB 4.18Å; A330-N357 WeakPolarHBondContact O-CB 3.48Å
331S97Very high97.8Very high62 Ų6242 Ų4243%0.43421%0.21SC..G310 helixtrans-74-20.6175.173.30000113V328 L329 R333V328-S331 VanDerWaalsContact O-CB 3.27Å; V328-S331 WeakPolarHBondContact O-CB 3.34Å; V328-S331 PolarHBondContact O-N 3.02Å; V328-S331 PolarHBondContact O-OG 3.17Å; L329-S331 PolarHBondContact O-N 3.26Å; S331-R333 VanDerWaalsContact C-N 3.34Å; S331-R333 PolarHBondContact O-N 2.83Å
332V97Very high97.7Very high9 Ų943.3 Ų43.36%0.05522%0.22CC..  trans-84.274.4-177.4-167.40000110.4C304 L310 L329 A330 G334 L335C304-V332 HydrophobicContact CB-CG2 3.62Å; L310-V332 HydrophobicContact CB-CG1 3.97Å; L310-V332 HydrophobicContact CD2-CG1 4.37Å; L310-V332 WeakPolarHBondContact O-CG1 3.25Å; L329-V332 PolarHBondContact O-N 3.43Å; A330-V332 VanDerWaalsContact C-N 3.29Å; V332-G334 PolarHBondContact O-N 3.04Å; V332-G334 VanDerWaalsContact O-N 3.12Å; V332-L335 HydrophobicContact CB-CB 4.33Å; V332-L335 HydrophobicContact CG1-CB 4.07Å; V332-L335 HydrophobicContact CG1-CD1 4.22Å; V332-L335 WeakPolarHBondContact O-CB 3.42Å; V332-L335 PolarHBondContact O-N 3.29Å
333R96.2Very high97.7Very high182 Ų18241.3 Ų41.369%0.68721%0.206SC*.THydrogen-bonded Turntrans-61.4-23.4-175.4-64.1-175.6177170.1-0.1114.5S331 L335S331-R333 VanDerWaalsContact C-N 3.34Å; S331-R333 PolarHBondContact O-N 2.83Å; R333-L335 VanDerWaalsContact C-N 3.27Å; R333-L335 PolarHBondContact O-N 3.21Å
334G96.9Very high97.5Very high28 Ų2842 Ų4229%0.28921%0.209SC..THydrogen-bonded Turntrans-77.3-5.8177.100000114.8L310 V332 R336L310-G334 CarbonylContact O-C 3.37Å; V332-G334 PolarHBondContact O-N 3.04Å; V332-G334 VanDerWaalsContact O-N 3.12Å; G334-R336 PolarHBondContact O-N 2.75Å
335L98.2Very high97.5Very high0 Ų034.8 Ų34.80%018%0.177CC..  trans-66.1127.9-171.1-160.670.8000112.1L313 V332 R333 L338 L360 L361L313-L335 HydrophobicContact CB-CD1 3.97Å; V332-L335 HydrophobicContact CB-CB 4.33Å; V332-L335 HydrophobicContact CG1-CB 4.07Å; V332-L335 HydrophobicContact CG1-CD1 4.22Å; V332-L335 WeakPolarHBondContact O-CB 3.42Å; V332-L335 PolarHBondContact O-N 3.29Å; R333-L335 VanDerWaalsContact C-N 3.27Å; R333-L335 PolarHBondContact O-N 3.21Å; L335-L338 HydrophobicContact CD2-CB 3.9Å; L335-L338 HydrophobicContact CD2-CD1 4.16Å; L335-L338 HydrophobicContact CD2-CD2 4.24Å; L335-L338 HydrophobicContact CD2-CG 4.31Å; L335-L360 CarbonylContact O-C 3.49Å; L335-L361 HydrophobicContact CB-CD1 4.36Å; L335-L361 HydrophobicContact CD2-CD1 4.12Å; L335-L361 HydrophobicContact CG-CD1 3.98Å; L335-L361 PolarHBondContact O-N 3.33Å
336R98.3Very high97.5Very high95 Ų9534.6 Ų34.636%0.35818%0.175SC..  trans-110.8-35179-60.3179.7178.5-79.90.4111.8E311 G334 T362 N363E311-R336 HydrophobicContact CB-CG 4.37Å; E311-R336 WeakPolarHBondContact O-CA 3.03Å; E311-R336 WeakPolarHBondContact O-CB 3.47Å; E311-R336 PolarHBondContact O-N 2.82Å; E311-R336 IonicContact OE2-NE 3.43Å; G334-R336 PolarHBondContact O-N 2.75Å; R336-T362 PolarHBondContact O-N 2.85Å; R336-T362 PolarHBondContact O-OG1 2.86Å; R336-N363 PolarHBondContact O-N 2.9Å
337E98.5Very high97.4Very high79 Ų7935.2 Ų35.237%0.36918%0.179SC..EExtended strand (participates in β ladder)trans-128.8124.4-178.4-48.7-169-14900110.8E311 A312 L313 N363E311-E337 PolarHBondContact O-N 3.04Å; A312-E337 CarbonylContact C-O 3.58Å; A312-E337 WeakPolarHBondContact CA-O 3.32Å; A312-E337 HydrophobicContact CB-CB 3.83Å; A312-E337 HydrophobicContact CB-CG 4.28Å; L313-E337 PolarHBondContact N-O 3.24Å; E337-N363 WeakPolarHBondContact CA-O 3.17Å; E337-N363 HydrophobicContact CB-CB 4.07Å; E337-N363 VanDerWaalsContact CD-ND2 3.29Å; E337-N363 HydrophobicContact CG-CB 3.91Å; E337-N363 PolarHBondContact OE2-ND2 3.21Å; E337-N363 VanDerWaalsContact OE2-ND2 3.1Å
338L98.6Very high97.4Very high3 Ų333 Ų332%0.01617%0.169CC..EExtended strand (participates in β ladder)trans-129.9126.5175.7-179.160000110.5L313 L329 L335 V340 I354 L361 N363 L364 N365L313-L338 HydrophobicContact CB-CD1 4.36Å; L313-L338 WeakPolarHBondContact O-CA 3.22Å; L329-L338 HydrophobicContact CD1-CD1 4.36Å; L329-L338 HydrophobicContact CD1-CD2 4.41Å; L329-L338 HydrophobicContact CD2-CD1 4.46Å; L335-L338 HydrophobicContact CD2-CB 3.9Å; L335-L338 HydrophobicContact CD2-CD1 4.16Å; L335-L338 HydrophobicContact CD2-CD2 4.24Å; L335-L338 HydrophobicContact CD2-CG 4.31Å; L338-V340 HydrophobicContact CD1-CG1 3.86Å; L338-V340 HydrophobicContact CD2-CG1 4.35Å; L338-V340 HydrophobicContact CG-CG1 4.06Å; L338-I354 HydrophobicContact CD2-CD1 3.57Å; L338-I354 HydrophobicContact CD2-CG1 4.36Å; L338-I354 HydrophobicContact CD2-CG2 4.2Å; L338-L361 HydrophobicContact CB-CD1 3.98Å; L338-N363 PolarHBondContact N-O 3.24Å; L338-L364 HydrophobicContact CB-CD1 4.02Å; L338-L364 HydrophobicContact CD2-CD1 4.05Å; L338-L364 HydrophobicContact CG-CD1 4.17Å; L338-L364 CarbonylContact O-C 3.51Å; L338-L364 WeakPolarHBondContact O-CA 3.44Å; L338-N365 PolarHBondContact O-N 2.62Å
339N98.3Very high97.4Very high24 Ų2434.8 Ų34.813%0.12818%0.182CC..EExtended strand (participates in β ladder)trans-122.2110.6171.4-179.517.2000110.5L313 S314 L315 E316 T341 N365L313-N339 PolarHBondContact O-N 3.03Å; S314-N339 WeakPolarHBondContact OG-CB 3.22Å; S314-N339 PolarHBondContact OG-ND2 3.29Å; S314-N339 VanDerWaalsContact OG-ND2 3.12Å; L315-N339 PolarHBondContact N-O 2.78Å; E316-N339 PolarHBondContact OE2-ND2 3.23Å; N339-T341 WeakPolarHBondContact OD1-CB 3.33Å; N339-T341 PolarHBondContact OD1-N 3.32Å; N339-T341 PolarHBondContact OD1-OG1 3.12Å; N339-N365 HydrophobicContact CB-CB 4.12Å; N339-N365 WeakPolarHBondContact OD1-CB 3.39Å; N339-N365 PolarHBondContact OD1-ND2 2.6Å
340V98Very high97.4Very high0 Ų034.9 Ų34.90%018%0.183CC..  trans-117.627.2175.2-67.70000110.4L329 L338 S342 V343 F346 N365 I366 C369L329-V340 HydrophobicContact CD1-CG1 4.29Å; L338-V340 HydrophobicContact CD1-CG1 3.86Å; L338-V340 HydrophobicContact CD2-CG1 4.35Å; L338-V340 HydrophobicContact CG-CG1 4.06Å; V340-S342 PolarHBondContact O-N 2.89Å; V340-V343 HydrophobicContact CB-CB 4.22Å; V340-V343 HydrophobicContact CB-CG2 4.03Å; V340-V343 VanDerWaalsContact O-CB 3.3Å; V340-V343 WeakPolarHBondContact O-CB 3.24Å; V340-V343 VanDerWaalsContact O-CG2 3.31Å; V340-V343 WeakPolarHBondContact O-CG2 3.42Å; V340-V343 PolarHBondContact O-N 3.45Å; V340-F346 HydrophobicContact CB-CD2 4.07Å; V340-F346 HydrophobicContact CB-CE2 4.37Å; V340-F346 HydrophobicContact CB-CG 4.36Å; V340-F346 HydrophobicContact CG1-CD2 4.07Å; V340-F346 HydrophobicContact CG1-CE2 4.12Å; V340-F346 HydrophobicContact CG2-CD1 4.03Å; V340-F346 HydrophobicContact CG2-CD2 3.84Å; V340-F346 HydrophobicContact CG2-CE1 4.04Å; V340-F346 HydrophobicContact CG2-CE2 3.86Å; V340-F346 HydrophobicContact CG2-CG 3.92Å; V340-F346 HydrophobicContact CG2-CZ 3.96Å; V340-N365 PolarHBondContact N-O 3.45Å; V340-I366 HydrophobicContact CG2-CG2 3.72Å; V340-C369 PolarHBondContact O-SG 2.96Å
341T96.2Very high97.4Very high6 Ų634.3 Ų34.34%0.03718%0.178CC..THydrogen-bonded Turntrans-50.6129.7179.6-66.60000110.8E316 S317 N339 V343 N365 K367 Y368E316-T341 CarbonylContact C-O 3.59Å; E316-T341 WeakPolarHBondContact CA-O 3.43Å; E316-T341 HydrophobicContact CG-CG2 4.1Å; S317-T341 PolarHBondContact N-O 3.22Å; N339-T341 WeakPolarHBondContact OD1-CB 3.33Å; N339-T341 PolarHBondContact OD1-N 3.32Å; N339-T341 PolarHBondContact OD1-OG1 3.12Å; T341-V343 PolarHBondContact O-N 3.32Å; T341-V343 VanDerWaalsContact O-N 3.17Å; T341-N365 PolarHBondContact N-O 3.32Å; T341-N365 PolarHBondContact OG1-ND2 3.35Å; T341-N365 PolarHBondContact OG1-OD1 2.96Å; T341-K367 CarbonylContact C-O 3.58Å; T341-K367 VanDerWaalsContact CA-O 3.29Å; T341-K367 WeakPolarHBondContact CA-O 3.42Å; T341-K367 HydrophobicContact CG2-CB 3.75Å; T341-Y368 HydrophobicContact CG2-CD2 4.06Å
342S95.8Very high97.4Very high33 Ų3334.3 Ų34.323%0.23117%0.171CC..THydrogen-bonded Turntrans6116179.3-54.40000115.4V340 Q344 K367V340-S342 PolarHBondContact O-N 2.89Å; S342-Q344 PolarHBondContact O-N 3.32Å; S342-Q344 PolarHBondContact O-NE2 3.49Å; S342-K367 PolarHBondContact N-O 2.84Å
343V97.2Very high97.5Very high0 Ų034.6 Ų34.60%018%0.175CC..  trans-77.9104.8168.9179.20000108.2L315 L326 V340 T341 S345 F346L315-V343 WeakPolarHBondContact O-CG2 3.03Å; L326-V343 HydrophobicContact CD1-CG1 3.7Å; L326-V343 HydrophobicContact CD2-CG1 4.32Å; V340-V343 HydrophobicContact CB-CB 4.22Å; V340-V343 HydrophobicContact CB-CG2 4.03Å; V340-V343 VanDerWaalsContact O-CB 3.3Å; V340-V343 WeakPolarHBondContact O-CB 3.24Å; V340-V343 VanDerWaalsContact O-CG2 3.31Å; V340-V343 WeakPolarHBondContact O-CG2 3.42Å; V340-V343 PolarHBondContact O-N 3.45Å; T341-V343 PolarHBondContact O-N 3.32Å; T341-V343 VanDerWaalsContact O-N 3.17Å; V343-S345 VanDerWaalsContact C-N 3.32Å; V343-S345 WeakPolarHBondContact CG1-OG 3.42Å; V343-S345 PolarHBondContact O-N 3.2Å; V343-F346 HydrophobicContact CB-CB 4.24Å; V343-F346 HydrophobicContact CG1-CB 4.12Å; V343-F346 WeakPolarHBondContact O-CB 3.22Å; V343-F346 PolarHBondContact O-N 3.29Å
344Q94.9Very high97.6Very high84 Ų8426 Ų2639%0.39314%0.142SC..THydrogen-bonded Turntrans-73-22.9-170-62-53.7-49.900113.9S342 F346 Y368 R371S342-Q344 PolarHBondContact O-N 3.32Å; S342-Q344 PolarHBondContact O-NE2 3.49Å; Q344-F346 VanDerWaalsContact C-N 3.29Å; Q344-Y368 PolarHBondContact NE2-O 3.32Å; Q344-R371 WeakPolarHBondContact O-CD 3.34Å; Q344-R371 WeakPolarHBondContact O-CG 3.18Å; Q344-R371 PolarHBondContact O-NE 3.09Å
345S97.1Very high97.5Very high14 Ų1424.8 Ų24.810%0.09813%0.129CC..THydrogen-bonded Turntrans-80.2-6.3174.944.80000113.6L321 L326 V343 T347L321-S345 WeakPolarHBondContact O-CB 3.28Å; L321-S345 PolarHBondContact O-OG 3Å; L326-S345 WeakPolarHBondContact CD1-OG 3.27Å; V343-S345 VanDerWaalsContact C-N 3.32Å; V343-S345 WeakPolarHBondContact CG1-OG 3.42Å; V343-S345 PolarHBondContact O-N 3.2Å; S345-T347 WeakPolarHBondContact O-CG2 3.46Å; S345-T347 PolarHBondContact O-N 2.88Å
346F98Very high97.5Very high0 Ų032.3 Ų32.30%016%0.158CC..  trans-76.8112.9178.6-165.2-92.3000110.8L326 L329 V340 V343 Q344 C350 L351 I354 I366 L372L326-F346 HydrophobicContact CD1-CB 4.19Å; L326-F346 HydrophobicContact CD1-CD2 4.21Å; L329-F346 HydrophobicContact CD1-CE2 4.44Å; V340-F346 HydrophobicContact CB-CD2 4.07Å; V340-F346 HydrophobicContact CB-CE2 4.37Å; V340-F346 HydrophobicContact CB-CG 4.36Å; V340-F346 HydrophobicContact CG1-CD2 4.07Å; V340-F346 HydrophobicContact CG1-CE2 4.12Å; V340-F346 HydrophobicContact CG2-CD1 4.03Å; V340-F346 HydrophobicContact CG2-CD2 3.84Å; V340-F346 HydrophobicContact CG2-CE1 4.04Å; V340-F346 HydrophobicContact CG2-CE2 3.86Å; V340-F346 HydrophobicContact CG2-CG 3.92Å; V340-F346 HydrophobicContact CG2-CZ 3.96Å; V343-F346 HydrophobicContact CB-CB 4.24Å; V343-F346 HydrophobicContact CG1-CB 4.12Å; V343-F346 WeakPolarHBondContact O-CB 3.22Å; V343-F346 PolarHBondContact O-N 3.29Å; Q344-F346 VanDerWaalsContact C-N 3.29Å; F346-C350 HydrophobicContact CD2-CB 3.79Å; F346-C350 HydrophobicContact CE1-CB 4.48Å; F346-C350 HydrophobicContact CE2-CB 3.65Å; F346-C350 HydrophobicContact CG-CB 4.27Å; F346-C350 HydrophobicContact CZ-CB 4.02Å; F346-L351 HydrophobicContact CE1-CB 3.91Å; F346-L351 HydrophobicContact CE1-CD1 4.31Å; F346-L351 HydrophobicContact CZ-CB 4.24Å; F346-L351 HydrophobicContact CZ-CD1 4.42Å; F346-I354 HydrophobicContact CE2-CD1 3.5Å; F346-I354 HydrophobicContact CZ-CD1 3.59Å; F346-I366 HydrophobicContact CD1-CG2 4.44Å; F346-I366 HydrophobicContact CE1-CG2 3.87Å; F346-I366 HydrophobicContact CZ-CG2 4.46Å; F346-L372 HydrophobicContact CD1-CD1 4.22Å; F346-L372 HydrophobicContact CD1-CD2 4.06Å; F346-L372 HydrophobicContact CD1-CG 4.35Å; F346-L372 HydrophobicContact CE1-CD1 4.38Å; F346-L372 HydrophobicContact CE1-CD2 4.19Å
347T97.4Very high97.4Very high13 Ų1331.1 Ų31.18%0.0816%0.159CC..  trans-111.8178-173.864.90000112.7E323 S345 S349 C350 L351 R371 L372E323-T347 VanDerWaalsContact CD-CG2 3.44Å; E323-T347 HydrophobicContact CG-CG2 4.06Å; E323-T347 WeakPolarHBondContact OE1-CB 3.46Å; E323-T347 PolarHBondContact OE1-OG1 3.16Å; E323-T347 WeakPolarHBondContact OE2-CG2 3.31Å; S345-T347 WeakPolarHBondContact O-CG2 3.46Å; S345-T347 PolarHBondContact O-N 2.88Å; T347-S349 PolarHBondContact O-N 3.37Å; T347-S349 PolarHBondContact OG1-N 2.91Å; T347-C350 PolarHBondContact O-N 3.14Å; T347-L351 PolarHBondContact O-N 2.94Å; T347-L351 VanDerWaalsContact O-N 3.09Å; T347-R371 HydrophobicContact CG2-CB 4.1Å; T347-L372 WeakPolarHBondContact O-CD2 3.28Å
348D97.5Very high97.3Very high30 Ų3027.3 Ų27.316%0.1614%0.141CC..Hα-helixtrans-56.3-38.6171.4-71.9-8000111.9L351 E352 L372 T373 G376D348-L351 PolarHBondContact O-N 3.09Å; D348-E352 VanDerWaalsContact O-CB 3.32Å; D348-E352 WeakPolarHBondContact O-CB 3.44Å; D348-E352 PolarHBondContact O-N 2.61Å; D348-L372 VanDerWaalsContact OD1-CA 3.31Å; D348-L372 WeakPolarHBondContact OD1-CA 3.47Å; D348-T373 PolarHBondContact OD1-N 2.96Å; D348-T373 WeakPolarHBondContact OD2-CB 3.38Å; D348-T373 WeakPolarHBondContact OD2-CG2 3.22Å; D348-T373 PolarHBondContact OD2-OG1 3.19Å; D348-G376 WeakPolarHBondContact OD1-CA 3.41Å; D348-G376 PolarHBondContact OD2-N 2.9Å
349S98.2Very high97.1Very high58 Ų5830 Ų3041%0.40616%0.163SC..Hα-helixtrans-59.6-47.7176.7-44.50000111.8E323 T347 L351 E352 A353E323-S349 WeakPolarHBondContact OE1-CB 3.28Å; E323-S349 PolarHBondContact OE1-OG 2.98Å; T347-S349 PolarHBondContact O-N 3.37Å; T347-S349 PolarHBondContact OG1-N 2.91Å; S349-L351 VanDerWaalsContact C-N 3.35Å; S349-L351 PolarHBondContact O-N 2.88Å; S349-E352 PolarHBondContact O-N 3.15Å; S349-A353 WeakPolarHBondContact O-CB 3.25Å; S349-A353 PolarHBondContact O-N 3.17Å
350C98.2Very high97.1Very high1 Ų131.3 Ų31.31%0.00717%0.17CC..Hα-helixtrans-60.3-47.1176.5-56.40000110.7F346 T347 E352 A353 I354F346-C350 HydrophobicContact CD2-CB 3.79Å; F346-C350 HydrophobicContact CE1-CB 4.48Å; F346-C350 HydrophobicContact CE2-CB 3.65Å; F346-C350 HydrophobicContact CG-CB 4.27Å; F346-C350 HydrophobicContact CZ-CB 4.02Å; T347-C350 PolarHBondContact O-N 3.14Å; C350-E352 PolarHBondContact O-N 3.35Å; C350-A353 PolarHBondContact O-N 3.42Å; C350-I354 WeakPolarHBondContact O-CD1 3.49Å; C350-I354 WeakPolarHBondContact O-CG1 3.48Å; C350-I354 PolarHBondContact O-N 2.9Å
351L97.8Very high97Very high0 Ų031.3 Ų31.30%017%0.17CC..Hα-helixtrans-63-43.4-178.6-177.857.2000111.8F346 T347 D348 S349 I354 C355 L364 L372 G376 L377 L380F346-L351 HydrophobicContact CE1-CB 3.91Å; F346-L351 HydrophobicContact CE1-CD1 4.31Å; F346-L351 HydrophobicContact CZ-CB 4.24Å; F346-L351 HydrophobicContact CZ-CD1 4.42Å; T347-L351 PolarHBondContact O-N 2.94Å; T347-L351 VanDerWaalsContact O-N 3.09Å; D348-L351 PolarHBondContact O-N 3.09Å; S349-L351 VanDerWaalsContact C-N 3.35Å; S349-L351 PolarHBondContact O-N 2.88Å; L351-I354 PolarHBondContact O-N 2.9Å; L351-C355 VanDerWaalsContact O-CB 3.32Å; L351-C355 WeakPolarHBondContact O-CB 3.1Å; L351-C355 PolarHBondContact O-N 3.12Å; L351-C355 PolarHBondContact O-SG 3.11Å; L351-L364 HydrophobicContact CD1-CD2 3.87Å; L351-L372 HydrophobicContact CB-CD2 4.05Å; L351-L372 HydrophobicContact CD2-CD1 4.45Å; L351-L372 HydrophobicContact CD2-CD2 3.93Å; L351-G376 WeakPolarHBondContact CD2-O 3.31Å; L351-L377 HydrophobicContact CD2-CD2 4.22Å; L351-L380 HydrophobicContact CD1-CD2 3.95Å; L351-L380 HydrophobicContact CD2-CD2 4.36Å; L351-L380 HydrophobicContact CD2-CG 4.44Å
352E97.8Very high97Very high61 Ų6132.7 Ų32.729%0.28518%0.179SC..Hα-helixtrans-61.3-46.1177.4-177.7176.3152.400111.6D348 S349 C350 I354 C355 R356D348-E352 VanDerWaalsContact O-CB 3.32Å; D348-E352 WeakPolarHBondContact O-CB 3.44Å; D348-E352 PolarHBondContact O-N 2.61Å; S349-E352 PolarHBondContact O-N 3.15Å; C350-E352 PolarHBondContact O-N 3.35Å; E352-I354 VanDerWaalsContact C-N 3.35Å; E352-I354 PolarHBondContact O-N 3.5Å; E352-C355 PolarHBondContact O-N 3.14Å; E352-R356 WeakPolarHBondContact O-CG 3.45Å; E352-R356 PolarHBondContact O-N 3.18Å; E352-R356 IonicContact OE1-CZ 3.55Å; E352-R356 IonicContact OE1-NE 3.89Å; E352-R356 IonicContact OE1-NH1 3.52Å; E352-R356 PolarHBondContact OE1-NH1 3.3Å; E352-R356 IonicContact OE1-NH2 3.88Å; E352-R356 PolarHBondContact OE1-NH2 3.16Å
353A98.1Very high96.9Very high15 Ų1532.8 Ų32.812%0.12418%0.176CC..Hα-helixtrans-60.8-43177.400000112.1M327 A330 S349 C350 R356 N357M327-A353 HydrophobicContact CE-CB 3.6Å; M327-A353 HydrophobicContact SD-CB 4.31Å; A330-A353 HydrophobicContact CB-CB 3.77Å; A330-A353 WeakPolarHBondContact CB-O 3.48Å; S349-A353 WeakPolarHBondContact O-CB 3.25Å; S349-A353 PolarHBondContact O-N 3.17Å; C350-A353 PolarHBondContact O-N 3.42Å; A353-R356 PolarHBondContact O-N 3.21Å; A353-N357 WeakPolarHBondContact O-CB 3.47Å; A353-N357 PolarHBondContact O-N 3.36Å; A353-N357 VanDerWaalsContact O-N 3.14Å; A353-N357 PolarHBondContact O-ND2 3.28Å
354I98Very high96.9Very high1 Ų132.9 Ų32.91%0.00518%0.177CC..Hα-helixtrans-65.1-46.3175.3-71158.9000110.8L329 L338 F346 C350 L351 E352 R356 N357 C358 L361L329-I354 HydrophobicContact CB-CD1 4.04Å; L329-I354 HydrophobicContact CB-CG1 4.08Å; L329-I354 HydrophobicContact CD1-CD1 4.13Å; L338-I354 HydrophobicContact CD2-CD1 3.57Å; L338-I354 HydrophobicContact CD2-CG1 4.36Å; L338-I354 HydrophobicContact CD2-CG2 4.2Å; F346-I354 HydrophobicContact CE2-CD1 3.5Å; F346-I354 HydrophobicContact CZ-CD1 3.59Å; C350-I354 WeakPolarHBondContact O-CD1 3.49Å; C350-I354 WeakPolarHBondContact O-CG1 3.48Å; C350-I354 PolarHBondContact O-N 2.9Å; L351-I354 PolarHBondContact O-N 2.9Å; E352-I354 VanDerWaalsContact C-N 3.35Å; E352-I354 PolarHBondContact O-N 3.5Å; I354-R356 PolarHBondContact O-N 3.35Å; I354-N357 PolarHBondContact O-N 3.39Å; I354-C358 HydrophobicContact CG2-CB 4.12Å; I354-C358 VanDerWaalsContact O-CB 3.31Å; I354-C358 WeakPolarHBondContact O-CB 3.4Å; I354-C358 PolarHBondContact O-N 3.11Å; I354-L361 HydrophobicContact CG2-CD2 4.22Å
355C96Very high96.9Very high3 Ų330.4 Ų30.42%0.0217%0.166CC..Hα-helixtrans-61.5-32.9-179.3-71.90000112.6L351 E352 C379 L382 L383L351-C355 VanDerWaalsContact O-CB 3.32Å; L351-C355 WeakPolarHBondContact O-CB 3.1Å; L351-C355 PolarHBondContact O-N 3.12Å; L351-C355 PolarHBondContact O-SG 3.11Å; E352-C355 PolarHBondContact O-N 3.14Å; C355-C379 HydrophobicContact CB-CB 4.05Å; C355-C379 WeakPolarHBondContact CB-O 3.04Å; C355-L382 HydrophobicContact CB-CB 4.23Å; C355-L382 HydrophobicContact CB-CD1 4.17Å; C355-L383 HydrophobicContact CB-CG 4.3Å
356R96.8Very high96.8Very high158 Ų15829.7 Ų29.760%0.59616%0.162SC*.Hα-helixtrans-77.6-37.2177.3-74.6-178.6176.2149.34113.7E352 A353 I354 L382E352-R356 WeakPolarHBondContact O-CG 3.45Å; E352-R356 PolarHBondContact O-N 3.18Å; E352-R356 IonicContact OE1-CZ 3.55Å; E352-R356 IonicContact OE1-NE 3.89Å; E352-R356 IonicContact OE1-NH1 3.52Å; E352-R356 PolarHBondContact OE1-NH1 3.3Å; E352-R356 IonicContact OE1-NH2 3.88Å; E352-R356 PolarHBondContact OE1-NH2 3.16Å; A353-R356 PolarHBondContact O-N 3.21Å; I354-R356 PolarHBondContact O-N 3.35Å; R356-L382 HydrophobicContact CG-CD1 3.86Å
357N97.4Very high96.6Very high70 Ų7031 Ų3137%0.37417%0.167SC..Hα-helixtrans-104.3-26.2-169.1-66.6-66.1000114.5A330 A353 I354 A359A330-N357 HydrophobicContact CB-CB 4.18Å; A330-N357 WeakPolarHBondContact O-CB 3.48Å; A353-N357 WeakPolarHBondContact O-CB 3.47Å; A353-N357 PolarHBondContact O-N 3.36Å; A353-N357 VanDerWaalsContact O-N 3.14Å; A353-N357 PolarHBondContact O-ND2 3.28Å; I354-N357 PolarHBondContact O-N 3.39Å; N357-A359 PolarHBondContact O-N 3.32Å
358C97Very high96.4Very high0 Ų034.2 Ų34.20%018%0.178CC..  trans-99.758.7-176.9-55.80000111.3I354 L360 L361 L383I354-C358 HydrophobicContact CG2-CB 4.12Å; I354-C358 VanDerWaalsContact O-CB 3.31Å; I354-C358 WeakPolarHBondContact O-CB 3.4Å; I354-C358 PolarHBondContact O-N 3.11Å; C358-L360 PolarHBondContact O-N 3.18Å; C358-L361 WeakPolarHBondContact O-CB 3.5Å; C358-L361 PolarHBondContact O-N 3.43Å; C358-L383 WeakPolarHBondContact O-CD2 3.34Å
359A94.5Very high96.3Very high59 Ų5932.8 Ų32.849%0.48817%0.171SC..THydrogen-bonded Turntrans-62-13.8-175.400000114.7N357N357-A359 PolarHBondContact O-N 3.32Å
360L96.7Very high96Very high52 Ų5233.5 Ų33.527%0.27217%0.168SC..THydrogen-bonded Turntrans-87.2-2.2177.4-61.9-176.6000114.1L335 C358 T362 K385L335-L360 CarbonylContact O-C 3.49Å; C358-L360 PolarHBondContact O-N 3.18Å; L360-T362 PolarHBondContact O-N 3.17Å; L360-K385 HydrophobicContact CD2-CD 4.14Å; L360-K385 VanDerWaalsContact CD2-NZ 3.29Å
361L96.9Very high95.8Very high0 Ų040.4 Ų40.40%019%0.194CC..  trans-63.2119.9-175.4-152.975000111.7L335 L338 I354 C358 L364 L383 K385 L386L335-L361 HydrophobicContact CB-CD1 4.36Å; L335-L361 HydrophobicContact CD2-CD1 4.12Å; L335-L361 HydrophobicContact CG-CD1 3.98Å; L335-L361 PolarHBondContact O-N 3.33Å; L338-L361 HydrophobicContact CB-CD1 3.98Å; I354-L361 HydrophobicContact CG2-CD2 4.22Å; C358-L361 WeakPolarHBondContact O-CB 3.5Å; C358-L361 PolarHBondContact O-N 3.43Å; L361-L364 HydrophobicContact CD2-CB 3.84Å; L361-L364 HydrophobicContact CD2-CD1 4.03Å; L361-L364 HydrophobicContact CD2-CD2 4.25Å; L361-L364 HydrophobicContact CD2-CG 4.25Å; L361-L383 HydrophobicContact CB-CD1 4.4Å; L361-L383 HydrophobicContact CB-CD2 3.94Å; L361-L383 HydrophobicContact CD2-CD1 3.79Å; L361-K385 CarbonylContact O-C 3.57Å; L361-L386 WeakPolarHBondContact O-CA 3.1Å; L361-L386 PolarHBondContact O-N 3Å
362T95.1Very high95.7Very high35 Ų3540.6 Ų40.622%0.21520%0.195CC..  trans-106.1-29.6176.858.80000112.2R336 L360 K385 S387 I388R336-T362 PolarHBondContact O-N 2.85Å; R336-T362 PolarHBondContact O-OG1 2.86Å; L360-T362 PolarHBondContact O-N 3.17Å; T362-K385 WeakPolarHBondContact CA-O 3.19Å; T362-K385 HydrophobicContact CG2-CB 4.24Å; T362-S387 PolarHBondContact O-N 3.49Å; T362-S387 PolarHBondContact O-OG 2.79Å; T362-I388 PolarHBondContact O-N 3.15Å
363N95.4Very high95.3Very high34 Ų3440.2 Ų40.218%0.18220%0.197CC..EExtended strand (participates in β ladder)trans-127.4120.8-178.7-57.9-3.1000109.9R336 E337 L338 I388R336-N363 PolarHBondContact O-N 2.9Å; E337-N363 WeakPolarHBondContact CA-O 3.17Å; E337-N363 HydrophobicContact CB-CB 4.07Å; E337-N363 VanDerWaalsContact CD-ND2 3.29Å; E337-N363 HydrophobicContact CG-CB 3.91Å; E337-N363 PolarHBondContact OE2-ND2 3.21Å; E337-N363 VanDerWaalsContact OE2-ND2 3.1Å; L338-N363 PolarHBondContact N-O 3.24Å; N363-I388 WeakPolarHBondContact CA-O 3.2Å; N363-I388 HydrophobicContact CB-CB 4.32Å
364L96Very high94.9Very high3 Ų341 Ų412%0.01620%0.203CC..EExtended strand (participates in β ladder)trans-128.4127.2175179.559.4000110.3L338 L351 L361 I366 L380 L383 L386 I388 L389 G390L338-L364 HydrophobicContact CB-CD1 4.02Å; L338-L364 HydrophobicContact CD2-CD1 4.05Å; L338-L364 HydrophobicContact CG-CD1 4.17Å; L338-L364 CarbonylContact O-C 3.51Å; L338-L364 WeakPolarHBondContact O-CA 3.44Å; L351-L364 HydrophobicContact CD1-CD2 3.87Å; L361-L364 HydrophobicContact CD2-CB 3.84Å; L361-L364 HydrophobicContact CD2-CD1 4.03Å; L361-L364 HydrophobicContact CD2-CD2 4.25Å; L361-L364 HydrophobicContact CD2-CG 4.25Å; L364-I366 HydrophobicContact CD1-CG2 3.8Å; L364-I366 HydrophobicContact CD2-CG2 4.23Å; L364-I366 HydrophobicContact CG-CG2 3.91Å; L364-L380 HydrophobicContact CD2-CD2 3.53Å; L364-L383 HydrophobicContact CD2-CD1 4.22Å; L364-L386 HydrophobicContact CB-CD1 3.78Å; L364-I388 PolarHBondContact N-O 3.2Å; L364-L389 HydrophobicContact CB-CD1 4.18Å; L364-L389 HydrophobicContact CD2-CD1 4.31Å; L364-L389 HydrophobicContact CG-CD1 4.28Å; L364-L389 CarbonylContact O-C 3.41Å; L364-L389 WeakPolarHBondContact O-CA 3.35Å; L364-G390 PolarHBondContact O-N 2.93Å
365N95.3Very high94.4Very high31 Ų3146.1 Ų46.117%0.16623%0.234CC..EExtended strand (participates in β ladder)trans-123.7106.2177.2-163.85.5000110L338 N339 V340 T341 K367 G390L338-N365 PolarHBondContact O-N 2.62Å; N339-N365 HydrophobicContact CB-CB 4.12Å; N339-N365 WeakPolarHBondContact OD1-CB 3.39Å; N339-N365 PolarHBondContact OD1-ND2 2.6Å; V340-N365 PolarHBondContact N-O 3.45Å; T341-N365 PolarHBondContact N-O 3.32Å; T341-N365 PolarHBondContact OG1-ND2 3.35Å; T341-N365 PolarHBondContact OG1-OD1 2.96Å; N365-K367 WeakPolarHBondContact OD1-CD 3.45Å; N365-K367 WeakPolarHBondContact OD1-CE 3.47Å; N365-K367 WeakPolarHBondContact OD1-CG 3.11Å; N365-G390 WeakPolarHBondContact OD1-CA 3.29Å
366I95.7Very high94.1Very high0 Ų046 Ų460%023%0.234CC..  trans-118.627.1-176.950.3170.1000110.3V340 F346 L364 C369 L372 L377 L389 G390 V391 L394V340-I366 HydrophobicContact CG2-CG2 3.72Å; F346-I366 HydrophobicContact CD1-CG2 4.44Å; F346-I366 HydrophobicContact CE1-CG2 3.87Å; F346-I366 HydrophobicContact CZ-CG2 4.46Å; L364-I366 HydrophobicContact CD1-CG2 3.8Å; L364-I366 HydrophobicContact CD2-CG2 4.23Å; L364-I366 HydrophobicContact CG-CG2 3.91Å; I366-C369 PolarHBondContact O-N 3.38Å; I366-L372 HydrophobicContact CB-CD1 3.82Å; I366-L372 HydrophobicContact CD1-CD1 3.8Å; I366-L372 HydrophobicContact CG1-CD1 4.3Å; I366-L372 HydrophobicContact CG2-CD1 4.24Å; I366-L377 HydrophobicContact CD1-CD2 3.64Å; I366-L389 HydrophobicContact CD1-CD1 4.27Å; I366-L389 HydrophobicContact CG1-CD1 4.26Å; I366-G390 CarbonylContact C-O 3.59Å; I366-G390 VanDerWaalsContact CG1-O 3.26Å; I366-G390 WeakPolarHBondContact CG1-O 3.48Å; I366-G390 PolarHBondContact N-O 3.29Å; I366-V391 HydrophobicContact CD1-CG1 4.06Å; I366-V391 HydrophobicContact CG1-CG1 4.11Å; I366-L394 HydrophobicContact CD1-CD1 4.04Å; I366-L394 HydrophobicContact CG1-CD1 4.23Å; I366-L394 WeakPolarHBondContact O-CD2 3.49Å
367K93.1Very high93.8Very high26 Ų2638.7 Ų38.711%0.11321%0.206CC..THydrogen-bonded Turntrans-58.4141179-72.8169.6-168.91710110.2T341 S342 N365 C369 G390 S392 L415T341-K367 CarbonylContact C-O 3.58Å; T341-K367 VanDerWaalsContact CA-O 3.29Å; T341-K367 WeakPolarHBondContact CA-O 3.42Å; T341-K367 HydrophobicContact CG2-CB 3.75Å; S342-K367 PolarHBondContact N-O 2.84Å; N365-K367 WeakPolarHBondContact OD1-CD 3.45Å; N365-K367 WeakPolarHBondContact OD1-CE 3.47Å; N365-K367 WeakPolarHBondContact OD1-CG 3.11Å; K367-C369 PolarHBondContact O-N 3.36Å; K367-G390 PolarHBondContact N-O 3.38Å; K367-S392 CarbonylContact C-O 3.47Å; K367-S392 WeakPolarHBondContact CA-O 3.33Å; K367-S392 WeakPolarHBondContact CB-O 3.36Å; K367-L415 WeakPolarHBondContact CE-O 3.21Å
368Y93.5Very high93.4Very high81 Ų8136.8 Ų36.832%0.31820%0.198SC..THydrogen-bonded Turntrans56.915.4176-49.6-76.7000116T341 Q344 Q370 S392T341-Y368 HydrophobicContact CG2-CD2 4.06Å; Q344-Y368 PolarHBondContact NE2-O 3.32Å; Y368-Q370 PolarHBondContact O-N 3.11Å; Y368-Q370 VanDerWaalsContact O-N 3.12Å; Y368-Q370 PolarHBondContact O-NE2 3.5Å; Y368-S392 PolarHBondContact N-O 3.3Å
369C94.3Very high93.1Very high0 Ų037.7 Ų37.70%021%0.205CC..  trans-75.391.5169.7-64.10000109.8V340 I366 K367 R371 L372 L394V340-C369 PolarHBondContact O-SG 2.96Å; I366-C369 PolarHBondContact O-N 3.38Å; K367-C369 PolarHBondContact O-N 3.36Å; C369-R371 VanDerWaalsContact C-N 3.26Å; C369-R371 PolarHBondContact O-N 3.38Å; C369-L372 HydrophobicContact CB-CD1 3.68Å; C369-L372 HydrophobicContact CB-CG 3.97Å; C369-L372 PolarHBondContact O-N 3.15Å; C369-L394 HydrophobicContact CB-CD2 4.16Å; C369-L394 WeakPolarHBondContact O-CD2 3.29Å
370Q92Very high92.9Very high74 Ų7434.9 Ų34.935%0.34618%0.181SC..THydrogen-bonded Turntrans-71.3-14.8-167.4-61.4-57.8-5200115Y368 G393Y368-Q370 PolarHBondContact O-N 3.11Å; Y368-Q370 VanDerWaalsContact O-N 3.12Å; Y368-Q370 PolarHBondContact O-NE2 3.5Å; Q370-G393 PolarHBondContact NE2-O 2.82Å
371R94.7Very high92.5Very high145 Ų14535.5 Ų35.555%0.54718%0.184SC..THydrogen-bonded Turntrans-88.5-0.2178.9-65.2-171.1178.9-179-1.3113.9Q344 T347 C369Q344-R371 WeakPolarHBondContact O-CD 3.34Å; Q344-R371 WeakPolarHBondContact O-CG 3.18Å; Q344-R371 PolarHBondContact O-NE 3.09Å; T347-R371 HydrophobicContact CG2-CB 4.1Å; C369-R371 VanDerWaalsContact C-N 3.26Å; C369-R371 PolarHBondContact O-N 3.38Å
372L94.4Very high92.2Very high5 Ų539 Ų393%0.02620%0.203CC..  trans-79.9133.3174.8-67.9177.9000111.4F346 T347 D348 L351 I366 C369 L394F346-L372 HydrophobicContact CD1-CD1 4.22Å; F346-L372 HydrophobicContact CD1-CD2 4.06Å; F346-L372 HydrophobicContact CD1-CG 4.35Å; F346-L372 HydrophobicContact CE1-CD1 4.38Å; F346-L372 HydrophobicContact CE1-CD2 4.19Å; T347-L372 WeakPolarHBondContact O-CD2 3.28Å; D348-L372 VanDerWaalsContact OD1-CA 3.31Å; D348-L372 WeakPolarHBondContact OD1-CA 3.47Å; L351-L372 HydrophobicContact CB-CD2 4.05Å; L351-L372 HydrophobicContact CD2-CD1 4.45Å; L351-L372 HydrophobicContact CD2-CD2 3.93Å; I366-L372 HydrophobicContact CB-CD1 3.82Å; I366-L372 HydrophobicContact CD1-CD1 3.8Å; I366-L372 HydrophobicContact CG1-CD1 4.3Å; I366-L372 HydrophobicContact CG2-CD1 4.24Å; C369-L372 HydrophobicContact CB-CD1 3.68Å; C369-L372 HydrophobicContact CB-CG 3.97Å; C369-L372 PolarHBondContact O-N 3.15Å; L372-L394 HydrophobicContact CB-CD2 4.41Å; L372-L394 HydrophobicContact CD1-CD1 4.46Å; L372-L394 HydrophobicContact CD1-CD2 4.26Å
373T91.4Very high92Very high53 Ų5337.4 Ų37.433%0.32519%0.193SC..  trans-111.8171.1176.884.60000111.8D348 V375 G376 L377D348-T373 PolarHBondContact OD1-N 2.96Å; D348-T373 WeakPolarHBondContact OD2-CB 3.38Å; D348-T373 WeakPolarHBondContact OD2-CG2 3.22Å; D348-T373 PolarHBondContact OD2-OG1 3.19Å; T373-V375 PolarHBondContact O-N 3Å; T373-V375 PolarHBondContact OG1-N 3.44Å; T373-V375 VanDerWaalsContact OG1-N 3.11Å; T373-G376 PolarHBondContact O-N 3.35Å; T373-L377 WeakPolarHBondContact O-CB 3.46Å; T373-L377 VanDerWaalsContact O-CG 3.23Å; T373-L377 WeakPolarHBondContact O-CG 3.49Å; T373-L377 PolarHBondContact O-N 3.32Å
374A87.9Confident91.7Very high32 Ų3242.3 Ų42.326%0.26421%0.213SC..Hα-helixtrans-59.4-24.7173.200000113S378 L401A374-S378 PolarHBondContact O-N 3.03Å; A374-L401 HydrophobicContact CB-CD2 4.27Å
375V87.9Confident91.5Very high107 Ų10747.5 Ų47.565%0.64824%0.235SC*.Hα-helixtrans-71.4-56.1177-179.30000110.1T373 L377 S378T373-V375 PolarHBondContact O-N 3Å; T373-V375 PolarHBondContact OG1-N 3.44Å; T373-V375 VanDerWaalsContact OG1-N 3.11Å; V375-L377 VanDerWaalsContact C-N 3.3Å; V375-L377 PolarHBondContact O-N 3.38Å; V375-S378 VanDerWaalsContact O-CB 3.24Å; V375-S378 WeakPolarHBondContact O-CB 3.37Å; V375-S378 PolarHBondContact O-N 2.76Å; V375-S378 PolarHBondContact O-OG 3.38Å
376G90.4Very high91.2Very high1 Ų146.3 Ų46.31%0.0123%0.228CC..Hα-helixtrans-61-38.3177.500000113.1D348 L351 T373 S378 C379D348-G376 WeakPolarHBondContact OD1-CA 3.41Å; D348-G376 PolarHBondContact OD2-N 2.9Å; L351-G376 WeakPolarHBondContact CD2-O 3.31Å; T373-G376 PolarHBondContact O-N 3.35Å; G376-S378 PolarHBondContact O-N 2.98Å; G376-C379 WeakPolarHBondContact O-CB 3.34Å; G376-C379 PolarHBondContact O-N 3.03Å; G376-C379 VanDerWaalsContact O-N 3.08Å
377L90.5Very high90.9Very high4 Ų448.2 Ų48.22%0.02124%0.242CC..Hα-helixtrans-60.4-26.1174.7-70173.4000112.8L351 I366 T373 V375 C379 L380 L394 F397 M402L351-L377 HydrophobicContact CD2-CD2 4.22Å; I366-L377 HydrophobicContact CD1-CD2 3.64Å; T373-L377 WeakPolarHBondContact O-CB 3.46Å; T373-L377 VanDerWaalsContact O-CG 3.23Å; T373-L377 WeakPolarHBondContact O-CG 3.49Å; T373-L377 PolarHBondContact O-N 3.32Å; V375-L377 VanDerWaalsContact C-N 3.3Å; V375-L377 PolarHBondContact O-N 3.38Å; L377-C379 PolarHBondContact O-N 2.91Å; L377-L380 HydrophobicContact CB-CD1 4.45Å; L377-L380 HydrophobicContact CD2-CD1 3.89Å; L377-L380 VanDerWaalsContact O-CB 3.3Å; L377-L380 WeakPolarHBondContact O-CB 3.42Å; L377-L380 WeakPolarHBondContact O-CD1 3.33Å; L377-L380 VanDerWaalsContact O-CG 3.24Å; L377-L380 WeakPolarHBondContact O-CG 3.28Å; L377-L380 PolarHBondContact O-N 2.95Å; L377-L394 HydrophobicContact CD1-CD1 4.5Å; L377-L394 HydrophobicContact CD2-CD1 4.12Å; L377-F397 HydrophobicContact CD1-CB 4.29Å; L377-F397 HydrophobicContact CD1-CD2 4.08Å; L377-M402 HydrophobicContact CB-CE 4.15Å; L377-M402 WeakPolarHBondContact O-CE 3.25Å
378S88.1Confident90.7Very high30 Ų3049.7 Ų49.721%0.2125%0.251CS..Hα-helixtrans-64.5-25.1177.279.10000113.2A374 V375 G376 L380 I381A374-S378 PolarHBondContact O-N 3.03Å; V375-S378 VanDerWaalsContact O-CB 3.24Å; V375-S378 WeakPolarHBondContact O-CB 3.37Å; V375-S378 PolarHBondContact O-N 2.76Å; V375-S378 PolarHBondContact O-OG 3.38Å; G376-S378 PolarHBondContact O-N 2.98Å; S378-L380 PolarHBondContact O-N 3.38Å; S378-I381 VanDerWaalsContact O-CG1 3.25Å; S378-I381 WeakPolarHBondContact O-CG1 3.32Å; S378-I381 WeakPolarHBondContact O-CG2 3.21Å; S378-I381 PolarHBondContact O-N 3.45Å
379C90.6Very high90.6Very high19 Ų1945.9 Ų45.913%0.12824%0.235CC..G310 helixtrans-67.5-17.4176.9-64.60000113.4C355 G376 L377 I381 L382C355-C379 HydrophobicContact CB-CB 4.05Å; C355-C379 WeakPolarHBondContact CB-O 3.04Å; G376-C379 WeakPolarHBondContact O-CB 3.34Å; G376-C379 PolarHBondContact O-N 3.03Å; G376-C379 VanDerWaalsContact O-N 3.08Å; L377-C379 PolarHBondContact O-N 2.91Å; C379-I381 PolarHBondContact O-N 2.66Å; C379-L382 VanDerWaalsContact O-CB 3.29Å; C379-L382 WeakPolarHBondContact O-CB 3.24Å; C379-L382 VanDerWaalsContact O-CG 3.29Å; C379-L382 WeakPolarHBondContact O-CG 3.06Å; C379-L382 PolarHBondContact O-N 3.03Å
380L90.7Very high90.4Very high0 Ų045.9 Ų45.90%024%0.236CC..G310 helixtrans-57.9-22.7177.4-66.9172.7000112.9L351 L364 L377 S378 L382 L383 L389 M402 M406L351-L380 HydrophobicContact CD1-CD2 3.95Å; L351-L380 HydrophobicContact CD2-CD2 4.36Å; L351-L380 HydrophobicContact CD2-CG 4.44Å; L364-L380 HydrophobicContact CD2-CD2 3.53Å; L377-L380 HydrophobicContact CB-CD1 4.45Å; L377-L380 HydrophobicContact CD2-CD1 3.89Å; L377-L380 VanDerWaalsContact O-CB 3.3Å; L377-L380 WeakPolarHBondContact O-CB 3.42Å; L377-L380 WeakPolarHBondContact O-CD1 3.33Å; L377-L380 VanDerWaalsContact O-CG 3.24Å; L377-L380 WeakPolarHBondContact O-CG 3.28Å; L377-L380 PolarHBondContact O-N 2.95Å; S378-L380 PolarHBondContact O-N 3.38Å; L380-L382 PolarHBondContact O-N 3.11Å; L380-L382 VanDerWaalsContact O-N 3.16Å; L380-L383 HydrophobicContact CD2-CD1 4.3Å; L380-L383 PolarHBondContact O-N 3.12Å; L380-L383 VanDerWaalsContact O-N 3.15Å; L380-L389 HydrophobicContact CD1-CD1 4.47Å; L380-L389 HydrophobicContact CD1-CD2 3.94Å; L380-M402 HydrophobicContact CD1-CE 4.05Å; L380-M402 HydrophobicContact CD1-SD 4.05Å; L380-M406 HydrophobicContact CB-CE 3.4Å; L380-M406 VanDerWaalsContact CB-CE 3.4Å; L380-M406 HydrophobicContact CD1-CE 4.32Å; L380-M406 HydrophobicContact CG-CE 4.47Å
381I87.8Confident90.2Very high66 Ų6642.5 Ų42.534%0.33822%0.22SC..G310 helixtrans-60.9-20.5174.969.1-175.5000113.3S378 C379 L383 K384 K405 Y409S378-I381 VanDerWaalsContact O-CG1 3.25Å; S378-I381 WeakPolarHBondContact O-CG1 3.32Å; S378-I381 WeakPolarHBondContact O-CG2 3.21Å; S378-I381 PolarHBondContact O-N 3.45Å; C379-I381 PolarHBondContact O-N 2.66Å; I381-L383 VanDerWaalsContact C-N 3.34Å; I381-K384 PolarHBondContact O-NZ 3.06Å; I381-K405 HydrophobicContact CG2-CB 4.44Å; I381-Y409 PolarHBondContact O-OH 2.61Å
382L91.3Very high89.8Confident74 Ų7435.7 Ų35.739%0.38720%0.195SC..G310 helixtrans-73.7-26.1178.7-59.5176.7000112.1C355 R356 C379 L380 K384C355-L382 HydrophobicContact CB-CB 4.23Å; C355-L382 HydrophobicContact CB-CD1 4.17Å; R356-L382 HydrophobicContact CG-CD1 3.86Å; C379-L382 VanDerWaalsContact O-CB 3.29Å; C379-L382 WeakPolarHBondContact O-CB 3.24Å; C379-L382 VanDerWaalsContact O-CG 3.29Å; C379-L382 WeakPolarHBondContact O-CG 3.06Å; C379-L382 PolarHBondContact O-N 3.03Å; L380-L382 PolarHBondContact O-N 3.11Å; L380-L382 VanDerWaalsContact O-N 3.16Å; L382-K384 PolarHBondContact O-N 3.13Å
383L91.6Very high89.4Confident0 Ų036.1 Ų36.10%020%0.201CC..  trans-80.679.6-178.8-64.3176.6000111.6C355 C358 L361 L364 L380 I381 K385 L386 Y409C355-L383 HydrophobicContact CB-CG 4.3Å; C358-L383 WeakPolarHBondContact O-CD2 3.34Å; L361-L383 HydrophobicContact CB-CD1 4.4Å; L361-L383 HydrophobicContact CB-CD2 3.94Å; L361-L383 HydrophobicContact CD2-CD1 3.79Å; L364-L383 HydrophobicContact CD2-CD1 4.22Å; L380-L383 HydrophobicContact CD2-CD1 4.3Å; L380-L383 PolarHBondContact O-N 3.12Å; L380-L383 VanDerWaalsContact O-N 3.15Å; I381-L383 VanDerWaalsContact C-N 3.34Å; L383-K385 PolarHBondContact O-N 3.39Å; L383-K385 VanDerWaalsContact O-N 3.12Å; L383-L386 HydrophobicContact CB-CB 3.94Å; L383-L386 HydrophobicContact CD1-CD1 4.4Å; L383-L386 HydrophobicContact CD1-CD2 4.41Å; L383-L386 VanDerWaalsContact O-CB 3.31Å; L383-L386 WeakPolarHBondContact O-CB 3.47Å; L383-L386 PolarHBondContact O-N 2.9Å; L383-L386 VanDerWaalsContact O-N 3.1Å; L383-Y409 PolarHBondContact O-OH 2.87Å
384K88.6Confident89.1Confident138 Ų13834.4 Ų34.460%0.619%0.189SC*.THydrogen-bonded Turntrans-62.3-21.2-174.6-56.7-47.1-172.2-172.40115.1I381 L382 Y409I381-K384 PolarHBondContact O-NZ 3.06Å; L382-K384 PolarHBondContact O-N 3.13Å; K384-Y409 WeakPolarHBondContact CA-OH 3.33Å; K384-Y409 VanDerWaalsContact CD-OH 3.25Å; K384-Y409 WeakPolarHBondContact CD-OH 3.35Å
385K90.9Very high88.8Confident112 Ų11241.5 Ų41.549%0.48721%0.214SC..THydrogen-bonded Turntrans-98.80.6-179.8-63.9-171.7178.7179.80113.4L360 L361 T362 L383 S387L360-K385 HydrophobicContact CD2-CD 4.14Å; L360-K385 VanDerWaalsContact CD2-NZ 3.29Å; L361-K385 CarbonylContact O-C 3.57Å; T362-K385 WeakPolarHBondContact CA-O 3.19Å; T362-K385 HydrophobicContact CG2-CB 4.24Å; L383-K385 PolarHBondContact O-N 3.39Å; L383-K385 VanDerWaalsContact O-N 3.12Å; K385-S387 PolarHBondContact O-N 3.43Å
386L90.1Very high88.2Confident5 Ų542 Ų423%0.02621%0.209CC..  trans-62.8129.3-176.9-166.969.3000110.3L361 L364 L383 L389 M406 V412L361-L386 WeakPolarHBondContact O-CA 3.1Å; L361-L386 PolarHBondContact O-N 3Å; L364-L386 HydrophobicContact CB-CD1 3.78Å; L383-L386 HydrophobicContact CB-CB 3.94Å; L383-L386 HydrophobicContact CD1-CD1 4.4Å; L383-L386 HydrophobicContact CD1-CD2 4.41Å; L383-L386 VanDerWaalsContact O-CB 3.31Å; L383-L386 WeakPolarHBondContact O-CB 3.47Å; L383-L386 PolarHBondContact O-N 2.9Å; L383-L386 VanDerWaalsContact O-N 3.1Å; L386-L389 HydrophobicContact CD2-CB 4.26Å; L386-L389 HydrophobicContact CD2-CD1 4.37Å; L386-L389 HydrophobicContact CD2-CD2 4.38Å; L386-M406 HydrophobicContact CD2-CE 4.42Å; L386-V412 WeakPolarHBondContact O-CG2 3.4Å
387S88.9Confident87.3Confident40 Ų4043.3 Ų43.328%0.2822%0.215SC..  trans-129.3-28.9-174.969.90000112.5T362 K385 V412 H413T362-S387 PolarHBondContact O-N 3.49Å; T362-S387 PolarHBondContact O-OG 2.79Å; K385-S387 PolarHBondContact O-N 3.43Å; S387-V412 CarbonylContact O-C 3.19Å; S387-V412 WeakPolarHBondContact O-CA 3.36Å; S387-H413 PolarHBondContact O-N 3.4Å
388I88.8Confident86.3Confident58 Ų5846.9 Ų46.930%0.29723%0.234SC..EExtended strand (participates in β ladder)trans-126.9123.7177.2-58.3179.1000108.5T362 N363 L364 L415T362-I388 PolarHBondContact O-N 3.15Å; N363-I388 WeakPolarHBondContact CA-O 3.2Å; N363-I388 HydrophobicContact CB-CB 4.32Å; L364-I388 PolarHBondContact N-O 3.2Å; I388-L415 HydrophobicContact CG2-CD1 3.56Å; I388-L415 HydrophobicContact CG2-CG 4.03Å
389L91.1Very high85.3Confident0 Ų052 Ų520%025%0.248CC..EExtended strand (participates in β ladder)trans-129.4120.5179.1178.260.9000111.1L364 I366 L380 L386 V391 V412 H413 L414 L415L364-L389 HydrophobicContact CB-CD1 4.18Å; L364-L389 HydrophobicContact CD2-CD1 4.31Å; L364-L389 HydrophobicContact CG-CD1 4.28Å; L364-L389 CarbonylContact O-C 3.41Å; L364-L389 WeakPolarHBondContact O-CA 3.35Å; I366-L389 HydrophobicContact CD1-CD1 4.27Å; I366-L389 HydrophobicContact CG1-CD1 4.26Å; L380-L389 HydrophobicContact CD1-CD1 4.47Å; L380-L389 HydrophobicContact CD1-CD2 3.94Å; L386-L389 HydrophobicContact CD2-CB 4.26Å; L386-L389 HydrophobicContact CD2-CD1 4.37Å; L386-L389 HydrophobicContact CD2-CD2 4.38Å; L389-V391 HydrophobicContact CD1-CG1 3.87Å; L389-V391 HydrophobicContact CD2-CG1 3.91Å; L389-V391 HydrophobicContact CG-CG1 3.65Å; L389-V412 HydrophobicContact CB-CG1 3.82Å; L389-H413 PolarHBondContact N-O 2.79Å; L389-H413 VanDerWaalsContact N-O 3.08Å; L389-L414 HydrophobicContact CB-CD2 4.16Å; L389-L414 HydrophobicContact CD2-CD2 4.13Å; L389-L414 HydrophobicContact CG-CD2 4.31Å; L389-L414 WeakPolarHBondContact O-CA 3.45Å; L389-L415 PolarHBondContact O-N 2.73Å
390G90.1Very high84.2Confident1 Ų155.3 Ų55.31%0.0127%0.269CS..EExtended strand (participates in β ladder)trans-100.3113.3174.400000111.9L364 N365 I366 K367L364-G390 PolarHBondContact O-N 2.93Å; N365-G390 WeakPolarHBondContact OD1-CA 3.29Å; I366-G390 CarbonylContact C-O 3.59Å; I366-G390 VanDerWaalsContact CG1-O 3.26Å; I366-G390 WeakPolarHBondContact CG1-O 3.48Å; I366-G390 PolarHBondContact N-O 3.29Å; K367-G390 PolarHBondContact N-O 3.38Å
391V89.2Confident82.7Confident2 Ų258.4 Ų58.41%0.01229%0.285CS..  trans-132.110.5-172.4-75.60000113.4I366 L389 G393 L394 F397 L414 F416I366-V391 HydrophobicContact CD1-CG1 4.06Å; I366-V391 HydrophobicContact CG1-CG1 4.11Å; L389-V391 HydrophobicContact CD1-CG1 3.87Å; L389-V391 HydrophobicContact CD2-CG1 3.91Å; L389-V391 HydrophobicContact CG-CG1 3.65Å; V391-G393 PolarHBondContact O-N 3.23Å; V391-L394 HydrophobicContact CB-CD1 3.97Å; V391-L394 HydrophobicContact CG1-CD1 3.95Å; V391-L394 WeakPolarHBondContact O-CG 3.45Å; V391-L394 PolarHBondContact O-N 3.34Å; V391-F397 HydrophobicContact CB-CD1 4.31Å; V391-F397 HydrophobicContact CB-CD2 3.76Å; V391-F397 HydrophobicContact CB-CE1 4.36Å; V391-F397 HydrophobicContact CB-CE2 3.81Å; V391-F397 HydrophobicContact CB-CG 4.04Å; V391-F397 HydrophobicContact CB-CZ 4.14Å; V391-F397 HydrophobicContact CG1-CD2 3.8Å; V391-F397 HydrophobicContact CG1-CE2 3.69Å; V391-F397 HydrophobicContact CG1-CZ 4.39Å; V391-F397 HydrophobicContact CG2-CD1 4.11Å; V391-F397 HydrophobicContact CG2-CD2 4.12Å; V391-F397 HydrophobicContact CG2-CE1 3.73Å; V391-F397 HydrophobicContact CG2-CE2 3.74Å; V391-F397 HydrophobicContact CG2-CG 4.31Å; V391-F397 HydrophobicContact CG2-CZ 3.56Å; V391-L414 HydrophobicContact CG2-CD2 4.23Å; V391-F416 HydrophobicContact CG2-CE1 4.04Å; V391-F416 HydrophobicContact CG2-CZ 4.14Å
392S86.4Confident81.5Confident3 Ų356 Ų562%0.02127%0.272CS..THydrogen-bonded Turntrans-57.2137.7176.7-470000111.6K367 Y368 L394 L415 F416 V417K367-S392 CarbonylContact C-O 3.47Å; K367-S392 WeakPolarHBondContact CA-O 3.33Å; K367-S392 WeakPolarHBondContact CB-O 3.36Å; Y368-S392 PolarHBondContact N-O 3.3Å; S392-L394 VanDerWaalsContact C-N 3.28Å; S392-L394 PolarHBondContact O-N 3.36Å; S392-L415 PolarHBondContact OG-O 3.31Å; S392-F416 VanDerWaalsContact OG-CA 3.28Å; S392-F416 WeakPolarHBondContact OG-CA 3.49Å; S392-V417 PolarHBondContact OG-N 2.96Å
393G85.6Confident80.3Confident14 Ų1457 Ų5714%0.14428%0.281CS..THydrogen-bonded Turntrans76.18175.500000115.7Q370 V391Q370-G393 PolarHBondContact NE2-O 2.82Å; V391-G393 PolarHBondContact O-N 3.23Å
394L85.3Confident78.7Confident16 Ų1664.4 Ų64.48%0.08432%0.316CS..  trans-80.1121.4168.2-65.7-176.9000109.9I366 C369 L372 L377 V391 S392 F397I366-L394 HydrophobicContact CD1-CD1 4.04Å; I366-L394 HydrophobicContact CG1-CD1 4.23Å; I366-L394 WeakPolarHBondContact O-CD2 3.49Å; C369-L394 HydrophobicContact CB-CD2 4.16Å; C369-L394 WeakPolarHBondContact O-CD2 3.29Å; L372-L394 HydrophobicContact CB-CD2 4.41Å; L372-L394 HydrophobicContact CD1-CD1 4.46Å; L372-L394 HydrophobicContact CD1-CD2 4.26Å; L377-L394 HydrophobicContact CD1-CD1 4.5Å; L377-L394 HydrophobicContact CD2-CD1 4.12Å; V391-L394 HydrophobicContact CB-CD1 3.97Å; V391-L394 HydrophobicContact CG1-CD1 3.95Å; V391-L394 WeakPolarHBondContact O-CG 3.45Å; V391-L394 PolarHBondContact O-N 3.34Å; S392-L394 VanDerWaalsContact C-N 3.28Å; S392-L394 PolarHBondContact O-N 3.36Å; L394-F397 HydrophobicContact CB-CB 3.63Å; L394-F397 HydrophobicContact CD1-CB 4.32Å
395K80.1Confident77.1Confident182 Ų18262.4 Ų62.479%0.79131%0.307SS*.THydrogen-bonded Turntrans-67.7-34.7-179.1-67.3179.3-178.4177.60113.1
396Q76.1Confident75.6Confident116 Ų11657.9 Ų57.954%0.54229%0.288SS..THydrogen-bonded Turntrans-93.44.6-175.2-62.8-66.7-19.200113.1D398Q396-D398 PolarHBondContact O-N 3.24Å
397F71.9Confident73.9Confident29 Ų2960.2 Ų60.213%0.12731%0.313CS..  trans-83103.4-179.9-178.4-92.2000110.3L377 V391 L394 R399 M402 F416L377-F397 HydrophobicContact CD1-CB 4.29Å; L377-F397 HydrophobicContact CD1-CD2 4.08Å; V391-F397 HydrophobicContact CB-CD1 4.31Å; V391-F397 HydrophobicContact CB-CD2 3.76Å; V391-F397 HydrophobicContact CB-CE1 4.36Å; V391-F397 HydrophobicContact CB-CE2 3.81Å; V391-F397 HydrophobicContact CB-CG 4.04Å; V391-F397 HydrophobicContact CB-CZ 4.14Å; V391-F397 HydrophobicContact CG1-CD2 3.8Å; V391-F397 HydrophobicContact CG1-CE2 3.69Å; V391-F397 HydrophobicContact CG1-CZ 4.39Å; V391-F397 HydrophobicContact CG2-CD1 4.11Å; V391-F397 HydrophobicContact CG2-CD2 4.12Å; V391-F397 HydrophobicContact CG2-CE1 3.73Å; V391-F397 HydrophobicContact CG2-CE2 3.74Å; V391-F397 HydrophobicContact CG2-CG 4.31Å; V391-F397 HydrophobicContact CG2-CZ 3.56Å; L394-F397 HydrophobicContact CB-CB 3.63Å; L394-F397 HydrophobicContact CD1-CB 4.32Å; F397-R399 HydrophobicContact CD1-CG 4.46Å; F397-R399 HydrophobicContact CE1-CG 3.68Å; F397-M402 HydrophobicContact CD2-CG 4.11Å; F397-M402 HydrophobicContact CE2-CB 4.18Å; F397-M402 HydrophobicContact CE2-CG 3.47Å; F397-M402 VanDerWaalsContact CE2-CG 3.47Å; F397-M402 HydrophobicContact CE2-SD 3.74Å; F397-M402 HydrophobicContact CZ-CB 4.18Å; F397-M402 HydrophobicContact CZ-CG 3.98Å; F397-F416 HydrophobicContact CE1-CE1 4.12Å; F397-F416 AromaticContact CE1-CZ 3.97Å; F397-F416 HydrophobicContact CE1-CZ 3.97Å
398D69.9Low72Confident80 Ų8065.4 Ų65.443%0.42834%0.337SS..  trans-95119.6168.4-174.1-11.6000110.3Q396 T400 L401 M402Q396-D398 PolarHBondContact O-N 3.24Å; D398-T400 VanDerWaalsContact C-N 3.28Å; D398-T400 PolarHBondContact O-N 3.09Å; D398-T400 WeakPolarHBondContact OD1-CB 3.45Å; D398-T400 PolarHBondContact OD1-N 2.98Å; D398-T400 PolarHBondContact OD1-OG1 2.87Å; D398-T400 PolarHBondContact OD2-OG1 3.33Å; D398-L401 HydrophobicContact CB-CB 4Å; D398-M402 WeakPolarHBondContact O-CB 3.4Å; D398-M402 PolarHBondContact O-N 3.13Å; D398-M402 VanDerWaalsContact O-N 3.09Å
399R67.1Low70.1Confident136 Ų13664.4 Ų64.451%0.51333%0.329SS..Hα-helixtrans-59.9-38.4175.7-80.3-172.9-173.7-155.57.6112F397 M402 V403 F416F397-R399 HydrophobicContact CD1-CG 4.46Å; F397-R399 HydrophobicContact CE1-CG 3.68Å; R399-M402 PolarHBondContact O-N 2.98Å; R399-V403 WeakPolarHBondContact O-CB 3.45Å; R399-V403 VanDerWaalsContact O-CG2 3.27Å; R399-V403 WeakPolarHBondContact O-CG2 3.4Å; R399-V403 PolarHBondContact O-N 3.14Å; R399-F416 HydrophobicContact CG-CZ 4.14Å
400T66.6Low68.2Low90 Ų9074.4 Ų74.455%0.55237%0.373SS*.Hα-helixtrans-68.6-47-174.864.40000110.7D398 M402 V403 Q404D398-T400 VanDerWaalsContact C-N 3.28Å; D398-T400 PolarHBondContact O-N 3.09Å; D398-T400 WeakPolarHBondContact OD1-CB 3.45Å; D398-T400 PolarHBondContact OD1-N 2.98Å; D398-T400 PolarHBondContact OD1-OG1 2.87Å; D398-T400 PolarHBondContact OD2-OG1 3.33Å; T400-M402 VanDerWaalsContact C-N 3.32Å; T400-M402 PolarHBondContact O-N 3.48Å; T400-V403 PolarHBondContact O-N 2.53Å; T400-Q404 WeakPolarHBondContact O-CB 3.35Å; T400-Q404 WeakPolarHBondContact O-CG 3.38Å; T400-Q404 PolarHBondContact O-N 3.15Å
401L59.3Low66.5Low65 Ų6578.1 Ų78.134%0.3440%0.399SS..Hα-helixtrans-60.6-41.1174.7-169.273.9000111.9A374 D398 K405A374-L401 HydrophobicContact CB-CD2 4.27Å; D398-L401 HydrophobicContact CB-CB 4Å; L401-K405 WeakPolarHBondContact O-CB 3.11Å; L401-K405 WeakPolarHBondContact O-CG 3.46Å; L401-K405 PolarHBondContact O-N 2.93Å
402M63.2Low65Low15 Ų1579.3 Ų79.37%0.07441%0.406CS..Hα-helixtrans-68.3-45.1176.3-84.8-99.4115.500112.1L377 L380 F397 D398 R399 T400 Q404 K405 M406L377-M402 HydrophobicContact CB-CE 4.15Å; L377-M402 WeakPolarHBondContact O-CE 3.25Å; L380-M402 HydrophobicContact CD1-CE 4.05Å; L380-M402 HydrophobicContact CD1-SD 4.05Å; F397-M402 HydrophobicContact CD2-CG 4.11Å; F397-M402 HydrophobicContact CE2-CB 4.18Å; F397-M402 HydrophobicContact CE2-CG 3.47Å; F397-M402 VanDerWaalsContact CE2-CG 3.47Å; F397-M402 HydrophobicContact CE2-SD 3.74Å; F397-M402 HydrophobicContact CZ-CB 4.18Å; F397-M402 HydrophobicContact CZ-CG 3.98Å; D398-M402 WeakPolarHBondContact O-CB 3.4Å; D398-M402 PolarHBondContact O-N 3.13Å; D398-M402 VanDerWaalsContact O-N 3.09Å; R399-M402 PolarHBondContact O-N 2.98Å; T400-M402 VanDerWaalsContact C-N 3.32Å; T400-M402 PolarHBondContact O-N 3.48Å; M402-Q404 VanDerWaalsContact C-N 3.3Å; M402-Q404 PolarHBondContact O-N 3.46Å; M402-K405 PolarHBondContact O-N 2.77Å; M402-M406 HydrophobicContact CE-CG 4.47Å; M402-M406 HydrophobicContact CE-SD 4.47Å; M402-M406 WeakPolarHBondContact O-CA 3.48Å; M402-M406 WeakPolarHBondContact O-CB 3.31Å; M402-M406 WeakPolarHBondContact O-CG 3.39Å; M402-M406 PolarHBondContact O-N 3.17Å; M402-M406 HydrophobicContact SD-CE 4.41Å; M402-M406 HydrophobicContact SD-CG 4.36Å; M402-M406 HydrophobicContact SD-SD 3.82Å
403V64.4Low64Low94 Ų9485.3 Ų85.357%0.5743%0.434SS*.Hα-helixtrans-64.1-35.4176.4171.40000111.5R399 T400 G407R399-V403 WeakPolarHBondContact O-CB 3.45Å; R399-V403 VanDerWaalsContact O-CG2 3.27Å; R399-V403 WeakPolarHBondContact O-CG2 3.4Å; R399-V403 PolarHBondContact O-N 3.14Å; T400-V403 PolarHBondContact O-N 2.53Å; V403-G407 WeakPolarHBondContact O-CA 3.45Å; V403-G407 PolarHBondContact O-N 3.16Å
404Q58.5Low63Low157 Ų15787.6 Ų87.673%0.73444%0.442SS*.Hα-helixtrans-66.1-46.2173.1-78.2-179.7-20.300112.3T400 M402T400-Q404 WeakPolarHBondContact O-CB 3.35Å; T400-Q404 WeakPolarHBondContact O-CG 3.38Å; T400-Q404 PolarHBondContact O-N 3.15Å; M402-Q404 VanDerWaalsContact C-N 3.3Å; M402-Q404 PolarHBondContact O-N 3.46Å
405K56.2Low61.9Low96 Ų9690.9 Ų90.942%0.41746%0.459SS..Hα-helixtrans-75.8-31.4179.3-74-173.2176.5-175.50113.7I381 L401 M402I381-K405 HydrophobicContact CG2-CB 4.44Å; L401-K405 WeakPolarHBondContact O-CB 3.11Å; L401-K405 WeakPolarHBondContact O-CG 3.46Å; L401-K405 PolarHBondContact O-N 2.93Å; M402-K405 PolarHBondContact O-N 2.77Å
406M58.1Low60.4Low17 Ų1785.9 Ų85.98%0.08444%0.438CS..SBendtrans-102.612.2-179.7-66.1-168.2141.800112.9L380 L386 M402 L408 Y409L380-M406 HydrophobicContact CB-CE 3.4Å; L380-M406 VanDerWaalsContact CB-CE 3.4Å; L380-M406 HydrophobicContact CD1-CE 4.32Å; L380-M406 HydrophobicContact CG-CE 4.47Å; L386-M406 HydrophobicContact CD2-CE 4.42Å; M402-M406 HydrophobicContact CE-CG 4.47Å; M402-M406 HydrophobicContact CE-SD 4.47Å; M402-M406 WeakPolarHBondContact O-CA 3.48Å; M402-M406 WeakPolarHBondContact O-CB 3.31Å; M402-M406 WeakPolarHBondContact O-CG 3.39Å; M402-M406 PolarHBondContact O-N 3.17Å; M402-M406 HydrophobicContact SD-CE 4.41Å; M402-M406 HydrophobicContact SD-CG 4.36Å; M402-M406 HydrophobicContact SD-SD 3.82Å; M406-L408 PolarHBondContact O-N 2.79Å; M406-Y409 HydrophobicContact CB-CD2 3.91Å; M406-Y409 HydrophobicContact CG-CD2 4.2Å; M406-Y409 PolarHBondContact O-N 3.05Å
407G54.2Low58.6Low53 Ų5383.8 Ų83.855%0.54643%0.432SS..THydrogen-bonded Turntrans-56-817700000114.4V403V403-G407 WeakPolarHBondContact O-CA 3.45Å; V403-G407 PolarHBondContact O-N 3.16Å
408L49.1Very low56.5Low149 Ų14986.3 Ų86.378%0.7845%0.452SS*.THydrogen-bonded Turntrans-75.3-16.2168.5-64.2168.8000114.4M406M406-L408 PolarHBondContact O-N 2.79Å
409Y50.5Low54.6Low37 Ų3788.3 Ų88.315%0.14546%0.461CS..  trans-112.279.5-175.9-60.7-79.7000111.2I381 L383 K384 M406 S411 V412I381-Y409 PolarHBondContact O-OH 2.61Å; L383-Y409 PolarHBondContact O-OH 2.87Å; K384-Y409 WeakPolarHBondContact CA-OH 3.33Å; K384-Y409 VanDerWaalsContact CD-OH 3.25Å; K384-Y409 WeakPolarHBondContact CD-OH 3.35Å; M406-Y409 HydrophobicContact CB-CD2 3.91Å; M406-Y409 HydrophobicContact CG-CD2 4.2Å; M406-Y409 PolarHBondContact O-N 3.05Å; Y409-S411 PolarHBondContact O-N 2.88Å; Y409-V412 HydrophobicContact CD1-CG2 4.4Å; Y409-V412 HydrophobicContact CG-CG2 4.15Å
410K49.9Very low52.6Low210 Ų21086.8 Ų86.891%0.91347%0.471SS*.THydrogen-bonded Turntrans-60.4-8.5173.7-71.1-176.5178178.80114
411S54.2Low50.7Low79 Ų7988.5 Ų88.555%0.55248%0.477SS*.THydrogen-bonded Turntrans-1214.4-16653.70000116Y409 H413Y409-S411 PolarHBondContact O-N 2.88Å; S411-H413 PolarHBondContact O-N 3.4Å; S411-H413 PolarHBondContact O-ND1 3.11Å; S411-H413 VanDerWaalsContact O-ND1 3.14Å
412V57.9Low49.1Very low28 Ų2896.6 Ų96.617%0.1750%0.503CS..  trans-77.7116179.9173.90000110.5L386 S387 L389 Y409 L414L386-V412 WeakPolarHBondContact O-CG2 3.4Å; S387-V412 CarbonylContact O-C 3.19Å; S387-V412 WeakPolarHBondContact O-CA 3.36Å; L389-V412 HydrophobicContact CB-CG1 3.82Å; Y409-V412 HydrophobicContact CD1-CG2 4.4Å; Y409-V412 HydrophobicContact CG-CG2 4.15Å; V412-L414 HydrophobicContact CG1-CD2 4.22Å; V412-L414 PolarHBondContact O-N 3.3Å
413H65.4Low47.4Very low129 Ų12998.5 Ų98.560%0.59752%0.521SS*.EExtended strand (participates in β ladder)trans-79.3108.7173.7-67.170000109.2S387 L389 S411 L415S387-H413 PolarHBondContact O-N 3.4Å; L389-H413 PolarHBondContact N-O 2.79Å; L389-H413 VanDerWaalsContact N-O 3.08Å; S411-H413 PolarHBondContact O-N 3.4Å; S411-H413 PolarHBondContact O-ND1 3.11Å; S411-H413 VanDerWaalsContact O-ND1 3.14Å; H413-L415 PolarHBondContact O-N 3.06Å
414L64.4Low46Very low62 Ų62100.2 Ų100.233%0.32553%0.534SS..EExtended strand (participates in β ladder)trans-81.6112.8173.7-63.2173.6000110L389 V391 V412 F416L389-L414 HydrophobicContact CB-CD2 4.16Å; L389-L414 HydrophobicContact CD2-CD2 4.13Å; L389-L414 HydrophobicContact CG-CD2 4.31Å; L389-L414 WeakPolarHBondContact O-CA 3.45Å; V391-L414 HydrophobicContact CG2-CD2 4.23Å; V412-L414 HydrophobicContact CG1-CD2 4.22Å; V412-L414 PolarHBondContact O-N 3.3Å; L414-F416 HydrophobicContact CB-CD2 3.83Å; L414-F416 HydrophobicContact CB-CE2 3.21Å; L414-F416 HydrophobicContact CB-CZ 3.94Å; L414-F416 HydrophobicContact CD1-CE2 3.7Å; L414-F416 HydrophobicContact CD1-CZ 3.9Å; L414-F416 HydrophobicContact CG-CE2 4.05Å; L414-F416 HydrophobicContact CG-CZ 4.44Å; L414-F416 PolarHBondContact O-N 2.96Å
415L62.1Low44.6Very low85 Ų8598.8 Ų98.845%0.44553%0.53SS..EExtended strand (participates in β ladder)trans-85.3102.8175-66.3176.8000109.7K367 I388 L389 S392 H413K367-L415 WeakPolarHBondContact CE-O 3.21Å; I388-L415 HydrophobicContact CG2-CD1 3.56Å; I388-L415 HydrophobicContact CG2-CG 4.03Å; L389-L415 PolarHBondContact O-N 2.73Å; S392-L415 PolarHBondContact OG-O 3.31Å; H413-L415 PolarHBondContact O-N 3.06Å
416F49Very low43.2Very low76 Ų7698.8 Ų98.833%0.33353%0.534SS..  trans-98129.5172.2-67.1-82.8000111.4V391 S392 F397 R399 L414V391-F416 HydrophobicContact CG2-CE1 4.04Å; V391-F416 HydrophobicContact CG2-CZ 4.14Å; S392-F416 VanDerWaalsContact OG-CA 3.28Å; S392-F416 WeakPolarHBondContact OG-CA 3.49Å; F397-F416 HydrophobicContact CE1-CE1 4.12Å; F397-F416 AromaticContact CE1-CZ 3.97Å; F397-F416 HydrophobicContact CE1-CZ 3.97Å; R399-F416 HydrophobicContact CG-CZ 4.14Å; L414-F416 HydrophobicContact CB-CD2 3.83Å; L414-F416 HydrophobicContact CB-CE2 3.21Å; L414-F416 HydrophobicContact CB-CZ 3.94Å; L414-F416 HydrophobicContact CD1-CE2 3.7Å; L414-F416 HydrophobicContact CD1-CZ 3.9Å; L414-F416 HydrophobicContact CG-CE2 4.05Å; L414-F416 HydrophobicContact CG-CZ 4.44Å; L414-F416 PolarHBondContact O-N 2.96Å
417V38.9Very low41.8Very low72 Ų72106.8 Ų106.844%0.43657%0.571SS.*  trans-104.4120.6156.3-175.50000106.3S392 I419S392-V417 PolarHBondContact OG-N 2.96Å; V417-I419 PolarHBondContact O-N 2.91Å
418P27.6Very low40.8Very low82 Ų82109 Ų10953%0.53258%0.578SS.*  trans-59.8137.1-17920.6-29.1000111S420P418-S420 PolarHBondContact O-N 3.43Å
419I30.1Very low40Very low122 Ų122106 Ų10663%0.62657%0.566SS**G310 helixtrans-65.3-16.5177-63.2170.8000111.2V417 L421V417-I419 PolarHBondContact O-N 2.91Å; I419-L421 PolarHBondContact O-N 2.93Å
420S25.8Very low39.1Very low104 Ų104113 Ų11373%0.72760%0.598SS**G310 helixtrans-78.519.6-172.577.10000116.5P418P418-S420 PolarHBondContact O-N 3.43Å
421L27Very low38Very low127 Ų127112.1 Ų112.167%0.66559%0.594SS**G310 helixtrans-104.524.5169.7-77.4167.8000113.5I419 A423I419-L421 PolarHBondContact O-N 2.93Å; L421-A423 PolarHBondContact O-N 3.49Å
422R24.5Very low37.3Very low234 Ų234116.8 Ų116.888%0.88363%0.626SS**  trans-7275.8151.5-79.5-172.5177.2-175.1-1.3109
423A27.1Very low36.2Very low55 Ų55121.2 Ų121.246%0.45565%0.649SS.*  trans-88.3118.8155.500000107.2L421 I425L421-A423 PolarHBondContact O-N 3.49Å; A423-I425 PolarHBondContact O-N 3.23Å
424P35.3Very low34.7Very low130 Ų130120.8 Ų120.884%0.84465%0.652SS**  trans-77.572.7172.433.8-30.8000107.9
425I30.3Very low33Very low127 Ų127124.1 Ų124.165%0.65167%0.67SS**  trans-137.188.1169.1-52.6175.7000105A423A423-I425 PolarHBondContact O-N 3.23Å
426L25.6Very low31.3Very low97 Ų97126.4 Ų126.451%0.50868%0.683SS.*SBendtrans172.711.2153.6-92164.5000113.4S428 V429L426-S428 PolarHBondContact O-N 2.79Å; L426-V429 HydrophobicContact CD2-CB 3.82Å; L426-V429 HydrophobicContact CD2-CG2 3.7Å
427E29.1Very low30.2Very low185 Ų185129.5 Ų129.586%0.86471%0.705SS**THydrogen-bonded Turntrans-72-3.9159.8-84.1-171.1169.900113.1
428S33.9Very low29.7Very low98 Ų98133.3 Ų133.369%0.68572%0.723SS**THydrogen-bonded Turntrans-101.97.4179.664.10000115.7L426L426-S428 PolarHBondContact O-N 2.79Å
429V32.1Very low29.8Very low88 Ų88137 Ų13753%0.53374%0.736SS.*SBendtrans-114.9-6.5179-1760000113.9L426L426-V429 HydrophobicContact CD2-CB 3.82Å; L426-V429 HydrophobicContact CD2-CG2 3.7Å
430F30.7Very low29.8Very low184 Ų184138.2 Ų138.281%0.80775%0.745SS**SBendtrans-122.425.7173.6-70-74000113.7
431K27.4Very low30.1Very low191 Ų191141 Ų14183%0.8375%0.746SS**  trans-117.374.9160.4-75.6-173.3178.3178.40109.4
432S38.4Very low30.4Very low176 Ų176142.3 Ų142.3100%1.23175%0.754SS**  trans-133.40147.663.70000105.6

Retrieved 432 of 432 residues in 339.3 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).