A0A087Y640_POEFO Loading...

Protein kinase domain-containing protein

AlphaFold DB , UniProt , Accession A0A087Y640, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 475 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
1M62Low79.7Confident174 Ų17461 Ų6186%0.85732%0.317SS*.  0150.70-70.3-175.4-7200108.5M3 D4M1-M3 PolarHBondContact O-N 3.26Å; M1-D4 PolarHBondContact N-OD2 3.05Å; M1-D4 WeakPolarHBondContact O-CB 3.18Å; M1-D4 PolarHBondContact O-N 3.37Å
2I64.3Low80.7Confident31 Ų3156.8 Ų56.816%0.15930%0.296CS..THydrogen-bonded Turntrans-55.3-27.4-178.7-93.1165000114D4 Y5 V6 I47 H55 V59 L63I2-D4 PolarHBondContact O-N 2.91Å; I2-Y5 PolarHBondContact O-N 3.27Å; I2-V6 HydrophobicContact CG2-CG2 3.92Å; I2-V6 PolarHBondContact O-N 3.39Å; I2-V6 VanDerWaalsContact O-N 3.17Å; I2-I47 HydrophobicContact CG2-CG2 4.42Å; I2-H55 HydrophobicContact CD1-CB 3.11Å; I2-V59 HydrophobicContact CD1-CG1 4.43Å; I2-L63 HydrophobicContact CG2-CD1 4.2Å
3M66Low81.7Confident81 Ų8152.5 Ų52.540%0.39927%0.273SS..Hα-helixtrans-56.6-26.9171.9-66.3-57.2-66.100113.5M1 Y5 E7 K48M1-M3 PolarHBondContact O-N 3.26Å; M3-Y5 PolarHBondContact O-N 2.69Å; M3-E7 HydrophobicContact CE-CG 4.44Å; M3-E7 PolarHBondContact O-N 2.91Å; M3-K48 HydrophobicContact CE-CG 4.43Å
4D72.6Confident82.6Confident101 Ų10153 Ų5354%0.5428%0.283SS..Hα-helixtrans-67.9-14175.3-55.1-26.4000112.5M1 I2 P8M1-D4 PolarHBondContact N-OD2 3.05Å; M1-D4 WeakPolarHBondContact O-CB 3.18Å; M1-D4 PolarHBondContact O-N 3.37Å; I2-D4 PolarHBondContact O-N 2.91Å; D4-P8 WeakPolarHBondContact O-CD 3.34Å; D4-P8 VanDerWaalsContact O-CG 3.27Å; D4-P8 WeakPolarHBondContact O-CG 3.33Å
5Y77.4Confident83.3Confident62 Ų6254.9 Ų54.924%0.24329%0.29CS..Hα-helixtrans-108.5-34.6176.9-54.9-74.1000112.8I2 M3 P8 I9 E60 K64I2-Y5 PolarHBondContact O-N 3.27Å; M3-Y5 PolarHBondContact O-N 2.69Å; Y5-P8 WeakPolarHBondContact O-CD 3.38Å; Y5-I9 WeakPolarHBondContact O-CB 2.97Å; Y5-I9 VanDerWaalsContact O-CD1 3.3Å; Y5-I9 WeakPolarHBondContact O-CD1 3.04Å; Y5-I9 WeakPolarHBondContact O-CG1 3.04Å; Y5-I9 PolarHBondContact O-N 2.92Å; Y5-E60 HydrophobicContact CD2-CG 4.01Å; Y5-E60 HydrophobicContact CE2-CG 3.49Å; Y5-E60 VanDerWaalsContact CE2-CG 3.49Å; Y5-E60 WeakPolarHBondContact CE2-OE1 3.45Å; Y5-E60 PolarHBondContact OH-OE1 3.42Å; Y5-K64 HydrophobicContact CD1-CG 4Å; Y5-K64 HydrophobicContact CE1-CD 4.22Å; Y5-K64 HydrophobicContact CE1-CG 3.72Å; Y5-K64 WeakPolarHBondContact OH-CE 3.19Å; Y5-K64 PolarHBondContact OH-NZ 3Å
6V83.9Confident83.9Confident0 Ų051.5 Ų51.50%027%0.272CS..Hα-helixtrans-64.2-50.6-178.6171.60000111.7I2 I9 L10 V44 K48 L63I2-V6 HydrophobicContact CG2-CG2 3.92Å; I2-V6 PolarHBondContact O-N 3.39Å; I2-V6 VanDerWaalsContact O-N 3.17Å; V6-I9 PolarHBondContact O-N 3.49Å; V6-L10 HydrophobicContact CG1-CD1 4.08Å; V6-L10 HydrophobicContact CG1-CG 4.47Å; V6-L10 WeakPolarHBondContact O-CG 3.46Å; V6-L10 PolarHBondContact O-N 3.08Å; V6-V44 HydrophobicContact CB-CG1 4.46Å; V6-V44 HydrophobicContact CG1-CG1 3.93Å; V6-V44 HydrophobicContact CG2-CG1 4.42Å; V6-K48 HydrophobicContact CG1-CB 4.09Å; V6-K48 HydrophobicContact CG1-CD 4.09Å; V6-K48 HydrophobicContact CG1-CG 4.36Å; V6-L63 HydrophobicContact CG2-CD1 4.38Å
7E85.7Confident84.5Confident83 Ų8351.7 Ų51.739%0.38827%0.269SS..Hα-helixtrans-64-43.9-177.4-65-62.3157.500112.9M3 I9 L10 S11 K48M3-E7 HydrophobicContact CE-CG 4.44Å; M3-E7 PolarHBondContact O-N 2.91Å; E7-I9 VanDerWaalsContact C-N 3.3Å; E7-I9 PolarHBondContact O-N 3.28Å; E7-L10 PolarHBondContact O-N 2.85Å; E7-S11 WeakPolarHBondContact O-CB 3.31Å; E7-S11 PolarHBondContact O-N 2.9Å; E7-K48 WeakPolarHBondContact OE1-CE 3.46Å; E7-K48 IonicContact OE1-NZ 3.35Å; E7-K48 PolarHBondContact OE1-NZ 2.79Å; E7-K48 IonicContact OE2-NZ 3.47Å
8P89.6Confident85Confident58 Ų5852.5 Ų52.538%0.37728%0.276SS..Hα-helixtrans-59.5-38.3172.6-28.437.3000113.7D4 Y5 S11 I12D4-P8 WeakPolarHBondContact O-CD 3.34Å; D4-P8 VanDerWaalsContact O-CG 3.27Å; D4-P8 WeakPolarHBondContact O-CG 3.33Å; Y5-P8 WeakPolarHBondContact O-CD 3.38Å; P8-S11 PolarHBondContact O-N 3.43Å; P8-I12 WeakPolarHBondContact O-CD1 3.12Å; P8-I12 VanDerWaalsContact O-CG1 3.27Å; P8-I12 WeakPolarHBondContact O-CG1 3.12Å; P8-I12 PolarHBondContact O-N 3Å
9I90.8Very high85.3Confident0 Ų051.1 Ų51.10%027%0.269CS..Hα-helixtrans-62.7-49.5177.4-74.3166000110.4Y5 V6 E7 S11 I12 T13 V44 L63 L66 L70Y5-I9 WeakPolarHBondContact O-CB 2.97Å; Y5-I9 VanDerWaalsContact O-CD1 3.3Å; Y5-I9 WeakPolarHBondContact O-CD1 3.04Å; Y5-I9 WeakPolarHBondContact O-CG1 3.04Å; Y5-I9 PolarHBondContact O-N 2.92Å; V6-I9 PolarHBondContact O-N 3.49Å; E7-I9 VanDerWaalsContact C-N 3.3Å; E7-I9 PolarHBondContact O-N 3.28Å; I9-S11 VanDerWaalsContact C-N 3.25Å; I9-S11 PolarHBondContact O-N 3.48Å; I9-I12 PolarHBondContact O-N 3.01Å; I9-I12 VanDerWaalsContact O-N 3.13Å; I9-T13 WeakPolarHBondContact O-CG2 3.46Å; I9-T13 PolarHBondContact O-N 3.23Å; I9-V44 HydrophobicContact CB-CG1 4.49Å; I9-V44 HydrophobicContact CG2-CB 4.41Å; I9-V44 HydrophobicContact CG2-CG1 4Å; I9-V44 HydrophobicContact CG2-CG2 4.01Å; I9-L63 HydrophobicContact CD1-CB 4.09Å; I9-L63 HydrophobicContact CD1-CD2 3.82Å; I9-L63 WeakPolarHBondContact CD1-O 3.44Å; I9-L66 HydrophobicContact CD1-CD2 4.35Å; I9-L66 HydrophobicContact CG2-CD2 4.35Å; I9-L70 HydrophobicContact CB-CD1 4.43Å; I9-L70 HydrophobicContact CG2-CD1 3.59Å
10L91.1Very high85.6Confident21 Ų2149.4 Ų49.411%0.1126%0.26CS..Hα-helixtrans-63.5-30.9178.1-63.6179.1000112.9V6 E7 T13 S14 E41 V44 K45 K48V6-L10 HydrophobicContact CG1-CD1 4.08Å; V6-L10 HydrophobicContact CG1-CG 4.47Å; V6-L10 WeakPolarHBondContact O-CG 3.46Å; V6-L10 PolarHBondContact O-N 3.08Å; E7-L10 PolarHBondContact O-N 2.85Å; L10-T13 WeakPolarHBondContact CA-OG1 3.34Å; L10-T13 PolarHBondContact O-OG1 3.13Å; L10-S14 PolarHBondContact O-N 3.29Å; L10-S14 PolarHBondContact O-OG 2.91Å; L10-E41 HydrophobicContact CD2-CG 3.58Å; L10-V44 HydrophobicContact CD2-CG1 4.15Å; L10-V44 HydrophobicContact CG-CG1 4.39Å; L10-K45 HydrophobicContact CD2-CG 3.98Å; L10-K48 HydrophobicContact CD1-CD 4.35Å
11S93.1Very high85.8Confident60 Ų6055.1 Ų55.142%0.4229%0.286SS..Hα-helixtrans-67-45.1172.5-178.50000111.7E7 P8 I9 S14 Q15E7-S11 WeakPolarHBondContact O-CB 3.31Å; E7-S11 PolarHBondContact O-N 2.9Å; P8-S11 PolarHBondContact O-N 3.43Å; I9-S11 VanDerWaalsContact C-N 3.25Å; I9-S11 PolarHBondContact O-N 3.48Å; S11-S14 PolarHBondContact O-N 2.89Å; S11-Q15 WeakPolarHBondContact O-CG 3.36Å; S11-Q15 PolarHBondContact O-N 3.22Å; S11-Q15 VanDerWaalsContact O-N 3.09Å; S11-Q15 PolarHBondContact O-NE2 3.21Å; S11-Q15 PolarHBondContact OG-NE2 3.41Å
12I92.6Very high86.9Confident11 Ų1152.7 Ų52.76%0.05627%0.27CS..Hα-helixtrans-64.6-41.8177.9-64.1158.5000110.8P8 I9 S14 Q15 I16 L70 K71 Q74P8-I12 WeakPolarHBondContact O-CD1 3.12Å; P8-I12 VanDerWaalsContact O-CG1 3.27Å; P8-I12 WeakPolarHBondContact O-CG1 3.12Å; P8-I12 PolarHBondContact O-N 3Å; I9-I12 PolarHBondContact O-N 3.01Å; I9-I12 VanDerWaalsContact O-N 3.13Å; I12-S14 VanDerWaalsContact C-N 3.33Å; I12-S14 PolarHBondContact O-N 3.41Å; I12-Q15 PolarHBondContact O-N 2.89Å; I12-I16 HydrophobicContact CG2-CD1 4.02Å; I12-I16 HydrophobicContact CG2-CG1 4.46Å; I12-I16 WeakPolarHBondContact O-CG1 3.36Å; I12-I16 PolarHBondContact O-N 2.91Å; I12-L70 HydrophobicContact CB-CB 4.46Å; I12-L70 HydrophobicContact CG2-CB 3.69Å; I12-K71 HydrophobicContact CD1-CD 4.5Å; I12-K71 HydrophobicContact CD1-CG 3.8Å; I12-Q74 HydrophobicContact CG2-CB 4.44Å
13T93.8Very high87.9Confident0 Ų051.8 Ų51.80%027%0.266CS..Hα-helixtrans-60.2-43.2177.358.30000111.7I9 L10 Q15 I16 Y17 V37 E41 L70I9-T13 WeakPolarHBondContact O-CG2 3.46Å; I9-T13 PolarHBondContact O-N 3.23Å; L10-T13 WeakPolarHBondContact CA-OG1 3.34Å; L10-T13 PolarHBondContact O-OG1 3.13Å; T13-Q15 VanDerWaalsContact C-N 3.32Å; T13-Q15 PolarHBondContact O-N 3.26Å; T13-I16 WeakPolarHBondContact O-CB 3.27Å; T13-I16 PolarHBondContact O-N 3.4Å; T13-Y17 WeakPolarHBondContact O-CD1 3.46Å; T13-Y17 PolarHBondContact O-N 3.44Å; T13-V37 HydrophobicContact CG2-CG1 3.62Å; T13-E41 HydrophobicContact CG2-CB 4.21Å; T13-E41 HydrophobicContact CG2-CG 4.16Å; T13-E41 PolarHBondContact OG1-OE1 2.81Å; T13-L70 HydrophobicContact CG2-CD1 3.97Å; T13-L70 HydrophobicContact CG2-CD2 4.44Å
14S93.3Very high88.4Confident60 Ų6052.9 Ų52.942%0.4227%0.269SS..Hα-helixtrans-62.6-37.7176.6-59.70000112.7L10 S11 I12 Y17 T18L10-S14 PolarHBondContact O-N 3.29Å; L10-S14 PolarHBondContact O-OG 2.91Å; S11-S14 PolarHBondContact O-N 2.89Å; I12-S14 VanDerWaalsContact C-N 3.33Å; I12-S14 PolarHBondContact O-N 3.41Å; S14-Y17 WeakPolarHBondContact O-CB 3.49Å; S14-Y17 PolarHBondContact O-N 2.81Å; S14-T18 PolarHBondContact O-N 3.44Å; S14-T18 PolarHBondContact O-OG1 3.4Å
15Q93.1Very high88.5Confident82 Ų8248.2 Ų48.238%0.38325%0.245SC..Hα-helixtrans-66.5-41.4174.9-69.6171.448.100111.5S11 I12 T13 Y17 T18 L19S11-Q15 WeakPolarHBondContact O-CG 3.36Å; S11-Q15 PolarHBondContact O-N 3.22Å; S11-Q15 VanDerWaalsContact O-N 3.09Å; S11-Q15 PolarHBondContact O-NE2 3.21Å; S11-Q15 PolarHBondContact OG-NE2 3.41Å; I12-Q15 PolarHBondContact O-N 2.89Å; T13-Q15 VanDerWaalsContact C-N 3.32Å; T13-Q15 PolarHBondContact O-N 3.26Å; Q15-Y17 VanDerWaalsContact C-N 3.28Å; Q15-Y17 PolarHBondContact O-N 2.84Å; Q15-T18 PolarHBondContact O-N 3.35Å; Q15-L19 WeakPolarHBondContact O-CG 3.46Å; Q15-L19 PolarHBondContact O-N 3.16Å
16I94.1Very high88.5Confident0 Ų045.7 Ų45.70%024%0.235CC..Hα-helixtrans-58.1-41.3174.4-71.1168.4000110.8I12 T13 T18 L19 V20 L34 V37 L70 A73 Q74 I77I12-I16 HydrophobicContact CG2-CD1 4.02Å; I12-I16 HydrophobicContact CG2-CG1 4.46Å; I12-I16 WeakPolarHBondContact O-CG1 3.36Å; I12-I16 PolarHBondContact O-N 2.91Å; T13-I16 WeakPolarHBondContact O-CB 3.27Å; T13-I16 PolarHBondContact O-N 3.4Å; I16-T18 VanDerWaalsContact C-N 3.32Å; I16-T18 PolarHBondContact O-N 2.9Å; I16-L19 PolarHBondContact O-N 3.24Å; I16-V20 HydrophobicContact CG2-CG2 4.3Å; I16-V20 WeakPolarHBondContact O-CG2 3.44Å; I16-V20 PolarHBondContact O-N 3.37Å; I16-L34 HydrophobicContact CG2-CD1 4.27Å; I16-V37 HydrophobicContact CD1-CG1 4.2Å; I16-V37 HydrophobicContact CD1-CG2 4.18Å; I16-V37 HydrophobicContact CG2-CG1 4.5Å; I16-L70 HydrophobicContact CD1-CD2 4.23Å; I16-A73 HydrophobicContact CD1-CB 4.26Å; I16-Q74 HydrophobicContact CD1-CB 4.31Å; I16-Q74 HydrophobicContact CG1-CB 3.9Å; I16-Q74 HydrophobicContact CG1-CG 4.31Å; I16-I77 HydrophobicContact CG2-CD1 3.7Å
17Y93.8Very high88.5Confident55 Ų5550 Ų5022%0.21625%0.254CS..Hα-helixtrans-59.3-47178.9-63.1-4.1000111.1T13 S14 Q15 L19 V20 L34 V37 K38 E41T13-Y17 WeakPolarHBondContact O-CD1 3.46Å; T13-Y17 PolarHBondContact O-N 3.44Å; S14-Y17 WeakPolarHBondContact O-CB 3.49Å; S14-Y17 PolarHBondContact O-N 2.81Å; Q15-Y17 VanDerWaalsContact C-N 3.28Å; Q15-Y17 PolarHBondContact O-N 2.84Å; Y17-L19 VanDerWaalsContact C-N 3.31Å; Y17-L19 PolarHBondContact O-N 3Å; Y17-V20 PolarHBondContact O-N 3.19Å; Y17-L34 HydrophobicContact CD1-CD1 3.06Å; Y17-L34 HydrophobicContact CD1-CG 4.49Å; Y17-L34 HydrophobicContact CE1-CD1 3.31Å; Y17-L34 HydrophobicContact CG-CD1 4.12Å; Y17-V37 HydrophobicContact CE1-CG1 4.31Å; Y17-K38 HydrophobicContact CE1-CG 3.84Å; Y17-K38 WeakPolarHBondContact OH-CG 3.49Å; Y17-E41 PolarHBondContact OH-OE2 3.39Å
18T92.8Very high88.4Confident66 Ų6650.3 Ų50.341%0.40525%0.254SS..Hα-helixtrans-65.9-33.7179-530000112.4S14 Q15 I16 K22S14-T18 PolarHBondContact O-N 3.44Å; S14-T18 PolarHBondContact O-OG1 3.4Å; Q15-T18 PolarHBondContact O-N 3.35Å; I16-T18 VanDerWaalsContact C-N 3.32Å; I16-T18 PolarHBondContact O-N 2.9Å; T18-K22 WeakPolarHBondContact O-CG 3.42Å
19L90.8Very high88.2Confident25 Ų2548 Ų4813%0.13124%0.238CC..Hα-helixtrans-71.3-42.7179.5-75.4169.7000111.9Q15 I16 Y17 E21 K22 V23 Q74 I77 E78 T81Q15-L19 WeakPolarHBondContact O-CG 3.46Å; Q15-L19 PolarHBondContact O-N 3.16Å; I16-L19 PolarHBondContact O-N 3.24Å; Y17-L19 VanDerWaalsContact C-N 3.31Å; Y17-L19 PolarHBondContact O-N 3Å; L19-E21 VanDerWaalsContact C-N 3.28Å; L19-E21 PolarHBondContact O-N 3.15Å; L19-K22 WeakPolarHBondContact O-CA 3.24Å; L19-K22 WeakPolarHBondContact O-CB 3.36Å; L19-K22 PolarHBondContact O-N 3.43Å; L19-V23 WeakPolarHBondContact O-CG2 3.22Å; L19-V23 PolarHBondContact O-N 3.48Å; L19-Q74 HydrophobicContact CD1-CG 3.53Å; L19-I77 HydrophobicContact CB-CG2 3.77Å; L19-E78 HydrophobicContact CD1-CB 4.37Å; L19-E78 HydrophobicContact CD2-CB 4.37Å; L19-E78 HydrophobicContact CD2-CG 4.34Å; L19-T81 HydrophobicContact CD2-CG2 4.09Å
20V90.6Very high88.1Confident17 Ų1748 Ų4810%0.10324%0.238CC..Hα-helixtrans-61.5-36.9-177.7174.20000111.8I16 Y17 K22 V23 L34 I77I16-V20 HydrophobicContact CG2-CG2 4.3Å; I16-V20 WeakPolarHBondContact O-CG2 3.44Å; I16-V20 PolarHBondContact O-N 3.37Å; Y17-V20 PolarHBondContact O-N 3.19Å; V20-K22 PolarHBondContact O-N 2.92Å; V20-V23 WeakPolarHBondContact O-CB 3.21Å; V20-V23 PolarHBondContact O-N 2.9Å; V20-L34 HydrophobicContact CB-CD2 4.15Å; V20-L34 HydrophobicContact CG1-CD2 3.85Å; V20-L34 HydrophobicContact CG2-CB 4.15Å; V20-L34 HydrophobicContact CG2-CD2 4.36Å; V20-I77 HydrophobicContact CG2-CD1 3.82Å; V20-I77 HydrophobicContact CG2-CG2 3.82Å
21E89.8Confident88Confident170 Ų17049.6 Ų49.679%0.79425%0.25SS*.THydrogen-bonded Turntrans-61.3-24.7174.5-68.2-180173.900113.4L19L19-E21 VanDerWaalsContact C-N 3.28Å; L19-E21 PolarHBondContact O-N 3.15Å
22K86.2Confident87.9Confident123 Ų12348.2 Ų48.254%0.53524%0.236SC..THydrogen-bonded Turntrans-97.8-2.1-177.1-62.2174.8-175.6176.70113.1T18 L19 V20 T81T18-K22 WeakPolarHBondContact O-CG 3.42Å; L19-K22 WeakPolarHBondContact O-CA 3.24Å; L19-K22 WeakPolarHBondContact O-CB 3.36Å; L19-K22 PolarHBondContact O-N 3.43Å; V20-K22 PolarHBondContact O-N 2.92Å; K22-T81 HydrophobicContact CB-CG2 4.14Å
23V84.3Confident87.8Confident12 Ų1247.7 Ų47.77%0.07323%0.233CC..  trans-67.8131.5-177.9170.20000110.7L19 V20 A25 K27 C30 I77 T81L19-V23 WeakPolarHBondContact O-CG2 3.22Å; L19-V23 PolarHBondContact O-N 3.48Å; V20-V23 WeakPolarHBondContact O-CB 3.21Å; V20-V23 PolarHBondContact O-N 2.9Å; V23-A25 WeakPolarHBondContact CG1-O 3.43Å; V23-K27 HydrophobicContact CG1-CG 4.27Å; V23-C30 HydrophobicContact CG1-CB 4.34Å; V23-C30 HydrophobicContact CG2-CB 4.22Å; V23-I77 HydrophobicContact CG2-CG2 3.65Å; V23-T81 HydrophobicContact CG2-CG2 4.16Å
24K77.2Confident87.7Confident104 Ų10448.8 Ų48.845%0.45224%0.239SC..  trans-100.4-19.6-179.6-61.2-170.7-179-170.30113.7Y80 S83K24-Y80 PolarHBondContact N-O 2.65Å; K24-S83 PolarHBondContact NZ-OG 3.47Å
25A75.5Confident87.6Confident4 Ų450.1 Ų50.13%0.03324%0.239CC..SBendtrans-147.4160.3-179.600000111.7V23 K27 Y80 L85V23-A25 WeakPolarHBondContact CG1-O 3.43Å; A25-K27 VanDerWaalsContact C-N 3.28Å; A25-K27 PolarHBondContact O-N 3.22Å; A25-Y80 WeakPolarHBondContact O-CB 2.92Å; A25-L85 HydrophobicContact CB-CD1 3.44Å; A25-L85 VanDerWaalsContact CB-CD1 3.44Å; A25-L85 HydrophobicContact CB-CD2 3.67Å; A25-L85 HydrophobicContact CB-CG 4.15Å
26N77.6Confident87.5Confident9 Ų946.2 Ų46.25%0.04822%0.22CC..  trans55.941.5-171.6-66.2-81.2000112.8K28 R29 C30 Y80 F99 D145N26-K28 VanDerWaalsContact C-N 3.33Å; N26-K28 PolarHBondContact O-N 3.37Å; N26-R29 HydrophobicContact CB-CB 4.47Å; N26-R29 PolarHBondContact OD1-NH1 2.96Å; N26-C30 WeakPolarHBondContact O-CB 3.37Å; N26-C30 PolarHBondContact O-N 3.37Å; N26-C30 PolarHBondContact O-SG 3.33Å; N26-Y80 HydrophobicContact CB-CD1 4.28Å; N26-Y80 HydrophobicContact CB-CE1 4.35Å; N26-Y80 HydrophobicContact CB-CG 4.46Å; N26-Y80 WeakPolarHBondContact ND2-CD1 3.48Å; N26-Y80 WeakPolarHBondContact ND2-CE1 3.48Å; N26-F99 HydrophobicContact CB-CE2 3.94Å; N26-F99 HydrophobicContact CB-CZ 3.99Å; N26-D145 VanDerWaalsContact CA-OD2 3.25Å; N26-D145 WeakPolarHBondContact CA-OD2 3.32Å
27K82.8Confident87.4Confident90 Ų9046.2 Ų46.239%0.39122%0.22SC..Hα-helixtrans-64.6-40.4-172.9-69.2172.5-173.7152.90110.8V23 A25 C30 C31 D145 E148V23-K27 HydrophobicContact CG1-CG 4.27Å; A25-K27 VanDerWaalsContact C-N 3.28Å; A25-K27 PolarHBondContact O-N 3.22Å; K27-C30 PolarHBondContact O-N 3.11Å; K27-C31 WeakPolarHBondContact O-CB 3.01Å; K27-C31 PolarHBondContact O-N 3.24Å; K27-C31 PolarHBondContact O-SG 3.31Å; K27-D145 PolarHBondContact N-OD1 3.37Å; K27-D145 VanDerWaalsContact N-OD1 3.1Å; K27-E148 IonicContact NZ-OE1 3.37Å; K27-E148 PolarHBondContact NZ-OE1 2.89Å
28K84.1Confident87.2Confident89 Ų8948.2 Ų48.239%0.38723%0.23SC..Hα-helixtrans-66.2-49-178.4-62.3-63.8-178.1112.40111N26 C30 C31 R32 D141 E144 D145N26-K28 VanDerWaalsContact C-N 3.33Å; N26-K28 PolarHBondContact O-N 3.37Å; K28-C30 VanDerWaalsContact C-N 3.35Å; K28-C30 PolarHBondContact O-N 3.29Å; K28-C31 PolarHBondContact O-N 3.44Å; K28-R32 PolarHBondContact O-N 3.39Å; K28-D141 HydrophobicContact CB-CB 3.79Å; K28-E144 WeakPolarHBondContact CE-OE2 3.33Å; K28-E144 HydrophobicContact CG-CB 4.29Å; K28-E144 IonicContact NZ-OE2 2.89Å; K28-E144 PolarHBondContact NZ-OE2 3.09Å; K28-D145 PolarHBondContact N-OD1 3.19Å; K28-D145 PolarHBondContact N-OD2 2.85Å
29R85.6Confident86.9Confident10 Ų1045.5 Ų45.54%0.03821%0.214CC..Hα-helixtrans-60.4-40.5175.1-69.8176.8-179.2147.25.6112.6N26 R32 V33 F99 D141 S142 D145 D146N26-R29 HydrophobicContact CB-CB 4.47Å; N26-R29 PolarHBondContact OD1-NH1 2.96Å; R29-R32 PolarHBondContact O-N 2.93Å; R29-V33 WeakPolarHBondContact O-CG2 3.15Å; R29-V33 PolarHBondContact O-N 2.96Å; R29-V33 VanDerWaalsContact O-N 3.12Å; R29-F99 HydrophobicContact CB-CD1 3.68Å; R29-F99 HydrophobicContact CB-CD2 4.04Å; R29-F99 HydrophobicContact CB-CE1 3.67Å; R29-F99 HydrophobicContact CB-CE2 4.02Å; R29-F99 HydrophobicContact CB-CG 3.87Å; R29-F99 HydrophobicContact CB-CZ 3.84Å; R29-F99 HydrophobicContact CG-CD2 4.4Å; R29-F99 HydrophobicContact CG-CG 4.36Å; R29-D141 HydrophobicContact CG-CB 4.37Å; R29-S142 PolarHBondContact NH2-O 3.45Å; R29-S142 PolarHBondContact NH2-OG 3.02Å; R29-D145 WeakPolarHBondContact CB-OD2 3.47Å; R29-D145 VanDerWaalsContact CG-OD2 3.27Å; R29-D145 WeakPolarHBondContact CG-OD2 3.32Å; R29-D145 PolarHBondContact N-OD2 3.46Å; R29-D146 IonicContact CZ-OD1 2.87Å; R29-D146 IonicContact NH1-OD1 3.79Å; R29-D146 IonicContact NH2-OD1 2.78Å; R29-D146 PolarHBondContact NH2-OD1 3.15Å; R29-D146 IonicContact NH2-OD2 2.72Å; R29-D146 PolarHBondContact NH2-OD2 2.86Å
30C88.6Confident86.8Confident0 Ų044.4 Ų44.40%021%0.208CC..Hα-helixtrans-65.4-41.7175.7-68.70000112.3V23 N26 K27 K28 R32 V33 L34V23-C30 HydrophobicContact CG1-CB 4.34Å; V23-C30 HydrophobicContact CG2-CB 4.22Å; N26-C30 WeakPolarHBondContact O-CB 3.37Å; N26-C30 PolarHBondContact O-N 3.37Å; N26-C30 PolarHBondContact O-SG 3.33Å; K27-C30 PolarHBondContact O-N 3.11Å; K28-C30 VanDerWaalsContact C-N 3.35Å; K28-C30 PolarHBondContact O-N 3.29Å; C30-R32 VanDerWaalsContact C-N 3.31Å; C30-R32 PolarHBondContact O-N 3.37Å; C30-V33 PolarHBondContact O-N 3.38Å; C30-L34 PolarHBondContact O-N 3.17Å
31C88.6Confident86.8Confident55 Ų5544.3 Ų44.337%0.37221%0.207SC..Hα-helixtrans-63.1-37.1174.1-73.90000112.1K27 K28 L34 E35K27-C31 WeakPolarHBondContact O-CB 3.01Å; K27-C31 PolarHBondContact O-N 3.24Å; K27-C31 PolarHBondContact O-SG 3.31Å; K28-C31 PolarHBondContact O-N 3.44Å; C31-L34 VanDerWaalsContact O-CB 3.28Å; C31-L34 WeakPolarHBondContact O-CB 3.34Å; C31-L34 PolarHBondContact O-N 2.84Å; C31-E35 WeakPolarHBondContact O-CG 3.31Å; C31-E35 PolarHBondContact O-N 2.75Å
32R90.7Very high86.5Confident31 Ų3140 Ų4012%0.11719%0.189CC..Hα-helixtrans-63.8-44.7176.5-173.158.160.4172.518.3112.6K28 R29 C30 L34 E35 R36 E137 D138 D141K28-R32 PolarHBondContact O-N 3.39Å; R29-R32 PolarHBondContact O-N 2.93Å; C30-R32 VanDerWaalsContact C-N 3.31Å; C30-R32 PolarHBondContact O-N 3.37Å; R32-L34 VanDerWaalsContact C-N 3.27Å; R32-L34 PolarHBondContact O-N 2.93Å; R32-E35 IonicContact CZ-OE2 2.93Å; R32-E35 IonicContact NE-OE2 2.65Å; R32-E35 IonicContact NH1-OE2 2.7Å; R32-E35 PolarHBondContact NH1-OE2 3.05Å; R32-E35 PolarHBondContact O-N 2.85Å; R32-R36 PolarHBondContact O-N 3.1Å; R32-E137 IonicContact CZ-OE1 2.79Å; R32-E137 IonicContact CZ-OE2 2.59Å; R32-E137 IonicContact NH1-OE1 3.45Å; R32-E137 PolarHBondContact NH1-OE1 2.96Å; R32-E137 IonicContact NH1-OE2 3.43Å; R32-E137 PolarHBondContact NH1-OE2 2.83Å; R32-E137 IonicContact NH2-OE1 3.39Å; R32-D138 WeakPolarHBondContact CG-OD1 3.28Å; R32-D141 IonicContact CZ-OD2 3.4Å; R32-D141 IonicContact NE-OD2 3.81Å; R32-D141 PolarHBondContact NE-OD2 3.22Å; R32-D141 IonicContact NH2-OD1 3.47Å; R32-D141 IonicContact NH2-OD2 2.62Å; R32-D141 PolarHBondContact NH2-OD2 3.21Å
33V90.8Very high86.4Confident0 Ų034.4 Ų34.40%017%0.165CC..Hα-helixtrans-58.6-43.5173.41730000109.9R29 C30 E35 R36 V37 A73 I77 F99 V102 L106R29-V33 WeakPolarHBondContact O-CG2 3.15Å; R29-V33 PolarHBondContact O-N 2.96Å; R29-V33 VanDerWaalsContact O-N 3.12Å; C30-V33 PolarHBondContact O-N 3.38Å; V33-E35 PolarHBondContact O-N 3.44Å; V33-R36 PolarHBondContact O-N 2.9Å; V33-V37 HydrophobicContact CG1-CG2 4.24Å; V33-V37 VanDerWaalsContact O-CG2 3.25Å; V33-V37 WeakPolarHBondContact O-CG2 3.28Å; V33-V37 PolarHBondContact O-N 2.81Å; V33-A73 HydrophobicContact CG1-CB 3.94Å; V33-I77 HydrophobicContact CB-CD1 4.37Å; V33-I77 HydrophobicContact CG1-CD1 3.88Å; V33-F99 HydrophobicContact CG2-CD1 3.84Å; V33-F99 HydrophobicContact CG2-CE1 4.21Å; V33-V102 HydrophobicContact CG1-CG1 4.23Å; V33-V102 HydrophobicContact CG2-CG1 4.41Å; V33-L106 HydrophobicContact CG1-CD1 4Å
34L92.6Very high86.6Confident22 Ų2233.9 Ų33.912%0.11516%0.162CC..Hα-helixtrans-58.6-43.7177.4174.863.3000113.4I16 Y17 V20 C30 C31 R32 R36 V37 K38I16-L34 HydrophobicContact CG2-CD1 4.27Å; Y17-L34 HydrophobicContact CD1-CD1 3.06Å; Y17-L34 HydrophobicContact CD1-CG 4.49Å; Y17-L34 HydrophobicContact CE1-CD1 3.31Å; Y17-L34 HydrophobicContact CG-CD1 4.12Å; V20-L34 HydrophobicContact CB-CD2 4.15Å; V20-L34 HydrophobicContact CG1-CD2 3.85Å; V20-L34 HydrophobicContact CG2-CB 4.15Å; V20-L34 HydrophobicContact CG2-CD2 4.36Å; C30-L34 PolarHBondContact O-N 3.17Å; C31-L34 VanDerWaalsContact O-CB 3.28Å; C31-L34 WeakPolarHBondContact O-CB 3.34Å; C31-L34 PolarHBondContact O-N 2.84Å; R32-L34 VanDerWaalsContact C-N 3.27Å; R32-L34 PolarHBondContact O-N 2.93Å; L34-R36 VanDerWaalsContact C-N 3.34Å; L34-R36 PolarHBondContact O-N 3.03Å; L34-V37 PolarHBondContact O-N 3.25Å; L34-K38 HydrophobicContact CG-CD 4.45Å; L34-K38 WeakPolarHBondContact O-CG 3.41Å; L34-K38 PolarHBondContact O-N 3.49Å
35E89.4Confident86.9Confident89 Ų8932.6 Ų32.642%0.41616%0.156SC..Hα-helixtrans-60.1-43.5176.9-72176.2171.200111.9C31 R32 V33 K38 A39C31-E35 WeakPolarHBondContact O-CG 3.31Å; C31-E35 PolarHBondContact O-N 2.75Å; R32-E35 IonicContact CZ-OE2 2.93Å; R32-E35 IonicContact NE-OE2 2.65Å; R32-E35 IonicContact NH1-OE2 2.7Å; R32-E35 PolarHBondContact NH1-OE2 3.05Å; R32-E35 PolarHBondContact O-N 2.85Å; V33-E35 PolarHBondContact O-N 3.44Å; E35-K38 WeakPolarHBondContact O-CB 3.45Å; E35-K38 PolarHBondContact O-N 3.11Å; E35-A39 PolarHBondContact O-N 3.21Å; E35-A39 VanDerWaalsContact O-N 3.09Å
36R90.8Very high87.2Confident0 Ų034.5 Ų34.50%017%0.17CC..Hα-helixtrans-66.3-38.1176.2-73.9174.5-176149.917.8112.4R32 V33 L34 A39 L40 N103 L106 V128 F129 D138R32-R36 PolarHBondContact O-N 3.1Å; V33-R36 PolarHBondContact O-N 2.9Å; L34-R36 VanDerWaalsContact C-N 3.34Å; L34-R36 PolarHBondContact O-N 3.03Å; R36-A39 PolarHBondContact O-N 3.47Å; R36-L40 PolarHBondContact O-N 3.01Å; R36-L40 VanDerWaalsContact O-N 3.08Å; R36-N103 PolarHBondContact NH1-ND2 3.41Å; R36-N103 VanDerWaalsContact NH1-ND2 3.11Å; R36-N103 PolarHBondContact NH1-OD1 3.16Å; R36-L106 HydrophobicContact CB-CD1 4.08Å; R36-V128 HydrophobicContact CG-CG1 3.65Å; R36-F129 HydrophobicContact CB-CE1 3.97Å; R36-F129 HydrophobicContact CB-CZ 3.71Å; R36-F129 HydrophobicContact CG-CD1 4.49Å; R36-F129 HydrophobicContact CG-CE1 3.79Å; R36-F129 HydrophobicContact CG-CZ 3.88Å; R36-D138 IonicContact CZ-OD1 3.29Å; R36-D138 VanDerWaalsContact CZ-OD1 3.28Å; R36-D138 IonicContact CZ-OD2 3.9Å; R36-D138 IonicContact NH1-OD1 2.59Å; R36-D138 PolarHBondContact NH1-OD1 2.89Å; R36-D138 IonicContact NH1-OD2 2.9Å; R36-D138 PolarHBondContact NH1-OD2 3.23Å; R36-D138 IonicContact NH2-OD1 2.76Å; R36-D138 PolarHBondContact NH2-OD1 3.48Å; R36-D138 IonicContact NH2-OD2 2.74Å
37V93.3Very high87.2Confident0 Ų034.3 Ų34.30%017%0.168CC..Hα-helixtrans-64.6-40.7174.4170.80000111.3T13 I16 Y17 V33 L34 L40 E41 L70 L106T13-V37 HydrophobicContact CG2-CG1 3.62Å; I16-V37 HydrophobicContact CD1-CG1 4.2Å; I16-V37 HydrophobicContact CD1-CG2 4.18Å; I16-V37 HydrophobicContact CG2-CG1 4.5Å; Y17-V37 HydrophobicContact CE1-CG1 4.31Å; V33-V37 HydrophobicContact CG1-CG2 4.24Å; V33-V37 VanDerWaalsContact O-CG2 3.25Å; V33-V37 WeakPolarHBondContact O-CG2 3.28Å; V33-V37 PolarHBondContact O-N 2.81Å; L34-V37 PolarHBondContact O-N 3.25Å; V37-L40 PolarHBondContact O-N 2.88Å; V37-E41 WeakPolarHBondContact O-CB 3.41Å; V37-E41 PolarHBondContact O-N 3.22Å; V37-L70 HydrophobicContact CB-CD2 4.31Å; V37-L70 HydrophobicContact CG1-CD2 3.89Å; V37-L70 HydrophobicContact CG2-CD2 3.68Å; V37-L106 HydrophobicContact CG2-CD1 4.26Å; V37-L106 HydrophobicContact CG2-CD2 4.22Å
38K89.5Confident86.9Confident97 Ų9734.2 Ų34.242%0.42217%0.168SC..Hα-helixtrans-59.9-47.7174.4-77.4170.8176.3-178.60111.8Y17 L34 E35 L40 E41 D42Y17-K38 HydrophobicContact CE1-CG 3.84Å; Y17-K38 WeakPolarHBondContact OH-CG 3.49Å; L34-K38 HydrophobicContact CG-CD 4.45Å; L34-K38 WeakPolarHBondContact O-CG 3.41Å; L34-K38 PolarHBondContact O-N 3.49Å; E35-K38 WeakPolarHBondContact O-CB 3.45Å; E35-K38 PolarHBondContact O-N 3.11Å; K38-L40 VanDerWaalsContact C-N 3.31Å; K38-L40 PolarHBondContact O-N 3.44Å; K38-E41 WeakPolarHBondContact O-CB 3.43Å; K38-E41 PolarHBondContact O-N 2.59Å; K38-E41 VanDerWaalsContact O-N 3.1Å; K38-D42 PolarHBondContact O-N 3.44Å
39A85.9Confident86.4Confident8 Ų837.5 Ų37.57%0.06619%0.185CC..Hα-helixtrans-57-43.4176.300000112.3E35 R36 D42 L43 L125 F129E35-A39 PolarHBondContact O-N 3.21Å; E35-A39 VanDerWaalsContact O-N 3.09Å; R36-A39 PolarHBondContact O-N 3.47Å; A39-D42 PolarHBondContact O-N 3.43Å; A39-L43 PolarHBondContact O-N 3.31Å; A39-L125 HydrophobicContact CB-CD2 3.74Å; A39-L125 WeakPolarHBondContact O-CD2 3.11Å; A39-F129 HydrophobicContact CB-CE2 3.75Å
40L89.1Confident85.6Confident2 Ų242.9 Ų42.91%0.0121%0.205CC..Hα-helixtrans-68.6-36175.1-78161.4000113.2R36 V37 K38 D42 L43 V44 L66 L106 F110 F129R36-L40 PolarHBondContact O-N 3.01Å; R36-L40 VanDerWaalsContact O-N 3.08Å; V37-L40 PolarHBondContact O-N 2.88Å; K38-L40 VanDerWaalsContact C-N 3.31Å; K38-L40 PolarHBondContact O-N 3.44Å; L40-D42 VanDerWaalsContact C-N 3.33Å; L40-D42 PolarHBondContact O-N 2.98Å; L40-L43 HydrophobicContact CD2-CD1 4.48Å; L40-L43 WeakPolarHBondContact O-CB 3.45Å; L40-L43 PolarHBondContact O-N 3.41Å; L40-V44 WeakPolarHBondContact O-CG2 3.22Å; L40-V44 PolarHBondContact O-N 3.41Å; L40-L66 HydrophobicContact CB-CD1 4.32Å; L40-L66 HydrophobicContact CD1-CD1 3.76Å; L40-L66 HydrophobicContact CD2-CD1 4.02Å; L40-L66 HydrophobicContact CD2-CD2 4.38Å; L40-L66 HydrophobicContact CG-CD1 4.26Å; L40-L106 HydrophobicContact CD1-CB 4.04Å; L40-L106 HydrophobicContact CD1-CD2 3.55Å; L40-L106 HydrophobicContact CD1-CG 4.38Å; L40-F110 HydrophobicContact CD2-CB 3.72Å; L40-F110 HydrophobicContact CD2-CD2 4.19Å; L40-F110 HydrophobicContact CD2-CG 4.47Å; L40-F110 HydrophobicContact CG-CB 4.39Å; L40-F129 HydrophobicContact CD1-CZ 4.06Å; L40-F129 HydrophobicContact CG-CE2 4.45Å; L40-F129 HydrophobicContact CG-CZ 4.09Å
41E89.9Confident84.1Confident15 Ų1549.6 Ų49.67%0.0724%0.241CC..Hα-helixtrans-61.1-42.4176-164.4-159-164.300111.4L10 T13 Y17 V37 K38 L43 V44 K45L10-E41 HydrophobicContact CD2-CG 3.58Å; T13-E41 HydrophobicContact CG2-CB 4.21Å; T13-E41 HydrophobicContact CG2-CG 4.16Å; T13-E41 PolarHBondContact OG1-OE1 2.81Å; Y17-E41 PolarHBondContact OH-OE2 3.39Å; V37-E41 WeakPolarHBondContact O-CB 3.41Å; V37-E41 PolarHBondContact O-N 3.22Å; K38-E41 WeakPolarHBondContact O-CB 3.43Å; K38-E41 PolarHBondContact O-N 2.59Å; K38-E41 VanDerWaalsContact O-N 3.1Å; E41-L43 VanDerWaalsContact C-N 3.3Å; E41-L43 PolarHBondContact O-N 3.14Å; E41-V44 PolarHBondContact O-N 3.01Å; E41-V44 VanDerWaalsContact O-N 3.15Å; E41-K45 HydrophobicContact CG-CD 4.3Å; E41-K45 WeakPolarHBondContact O-CB 3.39Å; E41-K45 WeakPolarHBondContact O-CG 3.18Å; E41-K45 PolarHBondContact O-N 3.28Å; E41-K45 WeakPolarHBondContact OE1-CE 3.43Å; E41-K45 IonicContact OE1-NZ 3.6Å; E41-K45 PolarHBondContact OE1-NZ 2.79Å; E41-K45 IonicContact OE2-NZ 3.25Å; E41-K45 PolarHBondContact OE2-NZ 2.7Å
42D84.9Confident82.4Confident79 Ų7953.3 Ų53.342%0.42225%0.253SS..Hα-helixtrans-62-37.7177.9-69.8-26.3000112K38 A39 L40 S46K38-D42 PolarHBondContact O-N 3.44Å; A39-D42 PolarHBondContact O-N 3.43Å; L40-D42 VanDerWaalsContact C-N 3.33Å; L40-D42 PolarHBondContact O-N 2.98Å; D42-S46 WeakPolarHBondContact O-CB 3.47Å; D42-S46 PolarHBondContact O-N 3.27Å; D42-S46 PolarHBondContact O-OG 3.03Å
43L83.7Confident80.4Confident7 Ų758.7 Ų58.74%0.03729%0.289CS..Hα-helixtrans-64.2-44.9172.6-68.9-177.3000111.9A39 L40 E41 S46 I47 F110 L113 L119 L125A39-L43 PolarHBondContact O-N 3.31Å; L40-L43 HydrophobicContact CD2-CD1 4.48Å; L40-L43 WeakPolarHBondContact O-CB 3.45Å; L40-L43 PolarHBondContact O-N 3.41Å; E41-L43 VanDerWaalsContact C-N 3.3Å; E41-L43 PolarHBondContact O-N 3.14Å; L43-S46 WeakPolarHBondContact O-CB 3.35Å; L43-S46 PolarHBondContact O-N 3.02Å; L43-I47 PolarHBondContact O-N 3.35Å; L43-I47 VanDerWaalsContact O-N 3.07Å; L43-F110 HydrophobicContact CD1-CD2 3.4Å; L43-F110 VanDerWaalsContact CD1-CD2 3.4Å; L43-F110 HydrophobicContact CD1-CE2 3.48Å; L43-F110 VanDerWaalsContact CD1-CE2 3.48Å; L43-F110 HydrophobicContact CD1-CG 4.37Å; L43-F110 HydrophobicContact CD1-CZ 4.48Å; L43-F110 HydrophobicContact CG-CD2 4.48Å; L43-F110 HydrophobicContact CG-CE2 4.26Å; L43-L113 HydrophobicContact CB-CD2 4.03Å; L43-L113 HydrophobicContact CD1-CD2 4.36Å; L43-L119 HydrophobicContact CD2-CD1 3.39Å; L43-L125 HydrophobicContact CG-CD2 4.29Å
44V87.2Confident78.5Confident0 Ų066.2 Ų66.20%033%0.329CS..Hα-helixtrans-66.4-39.1179.7173.60000111.4V6 I9 L10 L40 E41 S46 I47 K48 L63 L66 L113V6-V44 HydrophobicContact CB-CG1 4.46Å; V6-V44 HydrophobicContact CG1-CG1 3.93Å; V6-V44 HydrophobicContact CG2-CG1 4.42Å; I9-V44 HydrophobicContact CB-CG1 4.49Å; I9-V44 HydrophobicContact CG2-CB 4.41Å; I9-V44 HydrophobicContact CG2-CG1 4Å; I9-V44 HydrophobicContact CG2-CG2 4.01Å; L10-V44 HydrophobicContact CD2-CG1 4.15Å; L10-V44 HydrophobicContact CG-CG1 4.39Å; L40-V44 WeakPolarHBondContact O-CG2 3.22Å; L40-V44 PolarHBondContact O-N 3.41Å; E41-V44 PolarHBondContact O-N 3.01Å; E41-V44 VanDerWaalsContact O-N 3.15Å; V44-S46 VanDerWaalsContact C-N 3.31Å; V44-S46 PolarHBondContact O-N 3.33Å; V44-I47 WeakPolarHBondContact O-CB 3.04Å; V44-I47 PolarHBondContact O-N 3.47Å; V44-K48 PolarHBondContact O-N 2.88Å; V44-K48 VanDerWaalsContact O-N 3.12Å; V44-L63 HydrophobicContact CG2-CD2 4.08Å; V44-L66 HydrophobicContact CG2-CD2 3.6Å; V44-L113 HydrophobicContact CG2-CD2 4.15Å
45K85.4Confident77.1Confident77 Ų7767.8 Ų67.834%0.33534%0.336SS..Hα-helixtrans-62.2-38.9172-75.3172178.2162.20111.6L10 E41 I47 K48 Q49L10-K45 HydrophobicContact CD2-CG 3.98Å; E41-K45 HydrophobicContact CG-CD 4.3Å; E41-K45 WeakPolarHBondContact O-CB 3.39Å; E41-K45 WeakPolarHBondContact O-CG 3.18Å; E41-K45 PolarHBondContact O-N 3.28Å; E41-K45 WeakPolarHBondContact OE1-CE 3.43Å; E41-K45 IonicContact OE1-NZ 3.6Å; E41-K45 PolarHBondContact OE1-NZ 2.79Å; E41-K45 IonicContact OE2-NZ 3.25Å; E41-K45 PolarHBondContact OE2-NZ 2.7Å; K45-I47 VanDerWaalsContact C-N 3.31Å; K45-I47 PolarHBondContact O-N 3.41Å; K45-K48 WeakPolarHBondContact O-CB 3.4Å; K45-K48 PolarHBondContact O-N 3.29Å; K45-Q49 WeakPolarHBondContact O-CG 3.42Å; K45-Q49 PolarHBondContact O-N 3.13Å; K45-Q49 VanDerWaalsContact O-N 3.09Å
46S80Confident76.1Confident45 Ų4565.9 Ų65.932%0.31533%0.332SS..Hα-helixtrans-63.2-36.8175.9-59.40000112D42 L43 V44 Q49 R50D42-S46 WeakPolarHBondContact O-CB 3.47Å; D42-S46 PolarHBondContact O-N 3.27Å; D42-S46 PolarHBondContact O-OG 3.03Å; L43-S46 WeakPolarHBondContact O-CB 3.35Å; L43-S46 PolarHBondContact O-N 3.02Å; V44-S46 VanDerWaalsContact C-N 3.31Å; V44-S46 PolarHBondContact O-N 3.33Å; S46-Q49 PolarHBondContact O-N 3.03Å; S46-R50 WeakPolarHBondContact O-CG 3.41Å; S46-R50 PolarHBondContact O-N 2.93Å; S46-R50 VanDerWaalsContact O-N 3.16Å
47I78.1Confident75.4Confident5 Ų569.4 Ų69.43%0.02636%0.361CS..Hα-helixtrans-63-46.7172.7-66164.5000110.8I2 L43 V44 K45 Q49 R50 V59 L63 L113 L117I2-I47 HydrophobicContact CG2-CG2 4.42Å; L43-I47 PolarHBondContact O-N 3.35Å; L43-I47 VanDerWaalsContact O-N 3.07Å; V44-I47 WeakPolarHBondContact O-CB 3.04Å; V44-I47 PolarHBondContact O-N 3.47Å; K45-I47 VanDerWaalsContact C-N 3.31Å; K45-I47 PolarHBondContact O-N 3.41Å; I47-Q49 PolarHBondContact O-N 3.04Å; I47-R50 PolarHBondContact O-N 3.39Å; I47-V59 HydrophobicContact CD1-CG1 4.42Å; I47-L63 HydrophobicContact CD1-CD2 4.13Å; I47-L113 HydrophobicContact CD1-CD1 3.84Å; I47-L113 HydrophobicContact CD1-CD2 4.13Å; I47-L113 HydrophobicContact CD1-CG 4.2Å; I47-L117 HydrophobicContact CD1-CD1 3.85Å; I47-L117 HydrophobicContact CD1-CD2 4.08Å; I47-L117 HydrophobicContact CD1-CG 4.4Å; I47-L117 HydrophobicContact CG1-CD1 3.77Å; I47-L117 HydrophobicContact CG1-CD2 3.69Å; I47-L117 HydrophobicContact CG1-CG 4.33Å
48K76.8Confident74.6Confident87 Ų8775.6 Ų75.638%0.37839%0.39SS..Hα-helixtrans-57.5-34.9178.2-172.8173.3172.2171.70112.5M3 V6 E7 L10 V44 K45M3-K48 HydrophobicContact CE-CG 4.43Å; V6-K48 HydrophobicContact CG1-CB 4.09Å; V6-K48 HydrophobicContact CG1-CD 4.09Å; V6-K48 HydrophobicContact CG1-CG 4.36Å; E7-K48 WeakPolarHBondContact OE1-CE 3.46Å; E7-K48 IonicContact OE1-NZ 3.35Å; E7-K48 PolarHBondContact OE1-NZ 2.79Å; E7-K48 IonicContact OE2-NZ 3.47Å; L10-K48 HydrophobicContact CD1-CD 4.35Å; V44-K48 PolarHBondContact O-N 2.88Å; V44-K48 VanDerWaalsContact O-N 3.12Å; K45-K48 WeakPolarHBondContact O-CB 3.4Å; K45-K48 PolarHBondContact O-N 3.29Å
49Q73.1Confident74.2Confident158 Ų15871.1 Ų71.174%0.73837%0.371SS*.Hα-helixtrans-79.4-28.4-179.9-70.4175.83.900113.7K45 S46 I47 N51K45-Q49 WeakPolarHBondContact O-CG 3.42Å; K45-Q49 PolarHBondContact O-N 3.13Å; K45-Q49 VanDerWaalsContact O-N 3.09Å; S46-Q49 PolarHBondContact O-N 3.03Å; I47-Q49 PolarHBondContact O-N 3.04Å; Q49-N51 VanDerWaalsContact C-N 3.32Å; Q49-N51 PolarHBondContact O-N 3.01Å
50R70.4Confident74Confident123 Ų12373.8 Ų73.846%0.46438%0.382SS..Hα-helixtrans-73.2-17.3-174-79.2179-174.3-172.51.9114.5S46 I47 E52S46-R50 WeakPolarHBondContact O-CG 3.41Å; S46-R50 PolarHBondContact O-N 2.93Å; S46-R50 VanDerWaalsContact O-N 3.16Å; I47-R50 PolarHBondContact O-N 3.39Å; R50-E52 PolarHBondContact O-N 2.99Å
51N55.9Low73.6Confident142 Ų14278.2 Ų78.276%0.75941%0.409SS*.  trans45.225.6170.1-113.57.5000115.7Q49Q49-N51 VanDerWaalsContact C-N 3.32Å; Q49-N51 PolarHBondContact O-N 3.01Å
52E53.1Low73.4Confident133 Ų13378.4 Ų78.462%0.62141%0.412SS*.  trans-83.1123.5-177.6-85.7-178.6168.500110.1R50 N54 H55R50-E52 PolarHBondContact O-N 2.99Å; E52-N54 PolarHBondContact O-N 2.9Å; E52-H55 PolarHBondContact O-CD2 3.49Å; E52-H55 PolarHBondContact O-NE2 2.85Å
53V47.6Very low73.5Confident144 Ų14474.7 Ų74.787%0.87339%0.392SS*.SBendtrans-69.5-0.2-173.5-179.80000113.2
54N51.4Low73.6Confident157 Ų15778.4 Ų78.484%0.8441%0.408SS*.  trans-129.164.8-178-83.3-17000112.2E52E52-N54 PolarHBondContact O-N 2.9Å
55H62.7Low73.4Confident56 Ų5679.9 Ų79.926%0.25942%0.424SS..  trans-83.4124.1168.9-66.6-39.5000110.4I2 E52I2-H55 HydrophobicContact CD1-CB 3.11Å; E52-H55 PolarHBondContact O-CD2 3.49Å; E52-H55 PolarHBondContact O-NE2 2.85Å
56S69.3Low73.7Confident49 Ų4976.3 Ų76.334%0.34341%0.408SS..  trans-55.4149.5178.3170.30000112.1E58 V59 E60S56-E58 PolarHBondContact O-N 2.8Å; S56-E58 WeakPolarHBondContact OG-CB 3.34Å; S56-E58 WeakPolarHBondContact OG-CG 3.26Å; S56-E58 PolarHBondContact OG-N 3.21Å; S56-E58 VanDerWaalsContact OG-N 3.14Å; S56-E58 PolarHBondContact OG-OE2 3.32Å; S56-V59 WeakPolarHBondContact O-CB 3.33Å; S56-V59 PolarHBondContact O-N 2.95Å; S56-E60 PolarHBondContact O-N 3.34Å
57A76.3Confident74.2Confident73 Ų7375.1 Ų75.160%0.60340%0.399SS*.Hα-helixtrans-53-23.1169.800000112.8T61A57-T61 WeakPolarHBondContact O-CB 3.5Å; A57-T61 PolarHBondContact O-N 3.45Å; A57-T61 PolarHBondContact O-OG1 3.29Å
58E76.1Confident74.6Confident130 Ų13078.9 Ų78.961%0.60742%0.419SS*.Hα-helixtrans-67.9-37.8175.5-64.2150.8166.300112.3S56 T61 S62S56-E58 PolarHBondContact O-N 2.8Å; S56-E58 WeakPolarHBondContact OG-CB 3.34Å; S56-E58 WeakPolarHBondContact OG-CG 3.26Å; S56-E58 PolarHBondContact OG-N 3.21Å; S56-E58 VanDerWaalsContact OG-N 3.14Å; S56-E58 PolarHBondContact OG-OE2 3.32Å; E58-T61 PolarHBondContact O-N 3.15Å; E58-S62 WeakPolarHBondContact O-CB 3.49Å; E58-S62 PolarHBondContact O-N 2.84Å; E58-S62 PolarHBondContact O-OG 3.45Å
59V81.2Confident75.2Confident4 Ų475.1 Ų75.12%0.02440%0.403CS..Hα-helixtrans-67.8-44.4175.9178.40000109.8I2 I47 S56 T61 S62 L63 A116I2-V59 HydrophobicContact CD1-CG1 4.43Å; I47-V59 HydrophobicContact CD1-CG1 4.42Å; S56-V59 WeakPolarHBondContact O-CB 3.33Å; S56-V59 PolarHBondContact O-N 2.95Å; V59-T61 VanDerWaalsContact C-N 3.34Å; V59-T61 PolarHBondContact O-N 2.84Å; V59-S62 PolarHBondContact O-N 3.19Å; V59-L63 HydrophobicContact CG1-CD1 4.06Å; V59-L63 HydrophobicContact CG1-CG 4.39Å; V59-L63 WeakPolarHBondContact O-CB 3.49Å; V59-L63 WeakPolarHBondContact O-CG 3.5Å; V59-L63 PolarHBondContact O-N 2.95Å; V59-A116 HydrophobicContact CG2-CB 3.93Å
60E82.1Confident76.1Confident64 Ų6467.7 Ų67.730%0.29937%0.368SS..Hα-helixtrans-61.8-43.3177.2-171-178.4156.300111.6Y5 S56 S62 L63 K64Y5-E60 HydrophobicContact CD2-CG 4.01Å; Y5-E60 HydrophobicContact CE2-CG 3.49Å; Y5-E60 VanDerWaalsContact CE2-CG 3.49Å; Y5-E60 WeakPolarHBondContact CE2-OE1 3.45Å; Y5-E60 PolarHBondContact OH-OE1 3.42Å; S56-E60 PolarHBondContact O-N 3.34Å; E60-S62 VanDerWaalsContact C-N 3.35Å; E60-L63 PolarHBondContact O-N 3.03Å; E60-K64 WeakPolarHBondContact O-CG 3.38Å; E60-K64 PolarHBondContact O-N 2.8Å; E60-K64 VanDerWaalsContact OE1-CE 3.27Å; E60-K64 WeakPolarHBondContact OE1-CE 2.89Å; E60-K64 IonicContact OE1-NZ 2.72Å; E60-K64 PolarHBondContact OE1-NZ 3.32Å
61T81.3Confident77Confident94 Ų9467 Ų6758%0.57737%0.369SS*.Hα-helixtrans-63.2-41.9176.7-58.20000111.4A57 E58 V59 K64 G65A57-T61 WeakPolarHBondContact O-CB 3.5Å; A57-T61 PolarHBondContact O-N 3.45Å; A57-T61 PolarHBondContact O-OG1 3.29Å; E58-T61 PolarHBondContact O-N 3.15Å; V59-T61 VanDerWaalsContact C-N 3.34Å; V59-T61 PolarHBondContact O-N 2.84Å; T61-K64 PolarHBondContact O-N 2.91Å; T61-G65 PolarHBondContact O-N 3.02Å
62S84.1Confident78.5Confident20 Ų2061 Ų6114%0.1434%0.338CS..Hα-helixtrans-65.4-41.7177.3-60.10000112.1E58 V59 E60 G65 L66E58-S62 WeakPolarHBondContact O-CB 3.49Å; E58-S62 PolarHBondContact O-N 2.84Å; E58-S62 PolarHBondContact O-OG 3.45Å; V59-S62 PolarHBondContact O-N 3.19Å; E60-S62 VanDerWaalsContact C-N 3.35Å; S62-G65 PolarHBondContact O-N 2.96Å; S62-L66 WeakPolarHBondContact O-CB 3.41Å; S62-L66 PolarHBondContact O-N 3.42Å
63L87Confident80.2Confident0 Ų054.7 Ų54.70%031%0.309CS..Hα-helixtrans-65.3-39175.4-70.9173.3000112.1I2 V6 I9 V44 I47 V59 E60 L66 S67 L113I2-L63 HydrophobicContact CG2-CD1 4.2Å; V6-L63 HydrophobicContact CG2-CD1 4.38Å; I9-L63 HydrophobicContact CD1-CB 4.09Å; I9-L63 HydrophobicContact CD1-CD2 3.82Å; I9-L63 WeakPolarHBondContact CD1-O 3.44Å; V44-L63 HydrophobicContact CG2-CD2 4.08Å; I47-L63 HydrophobicContact CD1-CD2 4.13Å; V59-L63 HydrophobicContact CG1-CD1 4.06Å; V59-L63 HydrophobicContact CG1-CG 4.39Å; V59-L63 WeakPolarHBondContact O-CB 3.49Å; V59-L63 WeakPolarHBondContact O-CG 3.5Å; V59-L63 PolarHBondContact O-N 2.95Å; E60-L63 PolarHBondContact O-N 3.03Å; L63-L66 PolarHBondContact O-N 2.73Å; L63-S67 PolarHBondContact O-N 3.25Å; L63-L113 HydrophobicContact CD2-CD1 4.07Å; L63-L113 HydrophobicContact CD2-CD2 4.47Å; L63-L113 HydrophobicContact CG-CD1 4.28Å
64K85.5Confident82.3Confident86 Ų8649.5 Ų49.537%0.37428%0.275SS..Hα-helixtrans-60.6-48172.6-75.9172.7-174.9165.30111.4Y5 E60 T61 L66 S67 I68Y5-K64 HydrophobicContact CD1-CG 4Å; Y5-K64 HydrophobicContact CE1-CD 4.22Å; Y5-K64 HydrophobicContact CE1-CG 3.72Å; Y5-K64 WeakPolarHBondContact OH-CE 3.19Å; Y5-K64 PolarHBondContact OH-NZ 3Å; E60-K64 WeakPolarHBondContact O-CG 3.38Å; E60-K64 PolarHBondContact O-N 2.8Å; E60-K64 VanDerWaalsContact OE1-CE 3.27Å; E60-K64 WeakPolarHBondContact OE1-CE 2.89Å; E60-K64 IonicContact OE1-NZ 2.72Å; E60-K64 PolarHBondContact OE1-NZ 3.32Å; T61-K64 PolarHBondContact O-N 2.91Å; K64-L66 VanDerWaalsContact C-N 3.35Å; K64-L66 PolarHBondContact O-N 3.35Å; K64-S67 PolarHBondContact O-N 3.01Å; K64-I68 WeakPolarHBondContact O-CG1 3.25Å; K64-I68 PolarHBondContact O-N 3.41Å
65G84.3Confident84Confident31 Ų3146.4 Ų46.432%0.3226%0.256SS..Hα-helixtrans-58.5-45.6175.800000112.3T61 S62 S67 I68 T69T61-G65 PolarHBondContact O-N 3.02Å; S62-G65 PolarHBondContact O-N 2.96Å; G65-S67 PolarHBondContact O-N 2.9Å; G65-I68 PolarHBondContact O-N 2.91Å; G65-T69 PolarHBondContact O-N 3.48Å; G65-T69 PolarHBondContact O-OG1 2.96Å
66L91.1Very high85Confident2 Ų243.9 Ų43.91%0.0124%0.244CC..Hα-helixtrans-59.9-44.8176.5176.658.7000112I9 L40 V44 S62 L63 K64 I68 T69 L70 A109 L113I9-L66 HydrophobicContact CD1-CD2 4.35Å; I9-L66 HydrophobicContact CG2-CD2 4.35Å; L40-L66 HydrophobicContact CB-CD1 4.32Å; L40-L66 HydrophobicContact CD1-CD1 3.76Å; L40-L66 HydrophobicContact CD2-CD1 4.02Å; L40-L66 HydrophobicContact CD2-CD2 4.38Å; L40-L66 HydrophobicContact CG-CD1 4.26Å; V44-L66 HydrophobicContact CG2-CD2 3.6Å; S62-L66 WeakPolarHBondContact O-CB 3.41Å; S62-L66 PolarHBondContact O-N 3.42Å; L63-L66 PolarHBondContact O-N 2.73Å; K64-L66 VanDerWaalsContact C-N 3.35Å; K64-L66 PolarHBondContact O-N 3.35Å; L66-I68 VanDerWaalsContact C-N 3.32Å; L66-I68 PolarHBondContact O-N 3.32Å; L66-T69 PolarHBondContact O-N 3.4Å; L66-T69 VanDerWaalsContact O-N 3.16Å; L66-L70 HydrophobicContact CD1-CD1 3.94Å; L66-L70 HydrophobicContact CD1-CD2 4.3Å; L66-L70 HydrophobicContact CD1-CG 3.81Å; L66-L70 HydrophobicContact CG-CD1 3.89Å; L66-L70 HydrophobicContact CG-CG 4.21Å; L66-L70 WeakPolarHBondContact O-CG 3.38Å; L66-L70 PolarHBondContact O-N 2.91Å; L66-A109 HydrophobicContact CB-CB 4.21Å; L66-A109 HydrophobicContact CD1-CB 3.82Å; L66-L113 HydrophobicContact CD2-CD2 4.27Å
67S91.3Very high85.9Confident19 Ų1941.6 Ų41.613%0.13323%0.228CC..Hα-helixtrans-58.6-42.4178.5-174.50000112.3L63 K64 G65 L70 K71L63-S67 PolarHBondContact O-N 3.25Å; K64-S67 PolarHBondContact O-N 3.01Å; G65-S67 PolarHBondContact O-N 2.9Å; S67-L70 PolarHBondContact O-N 3.22Å; S67-K71 WeakPolarHBondContact O-CG 3.43Å; S67-K71 PolarHBondContact O-N 3.33Å
68I85.6Confident86.3Confident85 Ų8542.9 Ų42.944%0.43622%0.221SC..Hα-helixtrans-64.6-42.9176.9-61166.8000110.5K64 G65 L66 K71 S72K64-I68 WeakPolarHBondContact O-CG1 3.25Å; K64-I68 PolarHBondContact O-N 3.41Å; G65-I68 PolarHBondContact O-N 2.91Å; L66-I68 VanDerWaalsContact C-N 3.32Å; L66-I68 PolarHBondContact O-N 3.32Å; I68-K71 PolarHBondContact O-N 2.65Å; I68-S72 PolarHBondContact O-N 2.91Å; I68-S72 PolarHBondContact O-OG 3.29Å
69T89.1Confident86.3Confident8 Ų839.8 Ų39.85%0.04921%0.206CC..Hα-helixtrans-64.9-41.6177.8-61.10000112.1G65 L66 S72 A73 R105 L106G65-T69 PolarHBondContact O-N 3.48Å; G65-T69 PolarHBondContact O-OG1 2.96Å; L66-T69 PolarHBondContact O-N 3.4Å; L66-T69 VanDerWaalsContact O-N 3.16Å; T69-S72 WeakPolarHBondContact O-CB 3.27Å; T69-S72 PolarHBondContact O-N 3.16Å; T69-A73 PolarHBondContact O-N 2.78Å; T69-R105 HydrophobicContact CG2-CB 3.6Å; T69-R105 PolarHBondContact OG1-NE 3.28Å; T69-R105 PolarHBondContact OG1-NH2 2.86Å; T69-L106 HydrophobicContact CG2-CD2 3.65Å; T69-L106 HydrophobicContact CG2-CG 3.83Å
70L92.6Very high86.1Confident1 Ų140 Ų401%0.00521%0.206CC..Hα-helixtrans-65.9-38.2176.7-70.2174.9000112.2I9 I12 T13 I16 V37 L66 S67 S72 A73 Q74 L106I9-L70 HydrophobicContact CB-CD1 4.43Å; I9-L70 HydrophobicContact CG2-CD1 3.59Å; I12-L70 HydrophobicContact CB-CB 4.46Å; I12-L70 HydrophobicContact CG2-CB 3.69Å; T13-L70 HydrophobicContact CG2-CD1 3.97Å; T13-L70 HydrophobicContact CG2-CD2 4.44Å; I16-L70 HydrophobicContact CD1-CD2 4.23Å; V37-L70 HydrophobicContact CB-CD2 4.31Å; V37-L70 HydrophobicContact CG1-CD2 3.89Å; V37-L70 HydrophobicContact CG2-CD2 3.68Å; L66-L70 HydrophobicContact CD1-CD1 3.94Å; L66-L70 HydrophobicContact CD1-CD2 4.3Å; L66-L70 HydrophobicContact CD1-CG 3.81Å; L66-L70 HydrophobicContact CG-CD1 3.89Å; L66-L70 HydrophobicContact CG-CG 4.21Å; L66-L70 WeakPolarHBondContact O-CG 3.38Å; L66-L70 PolarHBondContact O-N 2.91Å; S67-L70 PolarHBondContact O-N 3.22Å; L70-S72 VanDerWaalsContact C-N 3.33Å; L70-A73 WeakPolarHBondContact O-CB 3.27Å; L70-A73 PolarHBondContact O-N 3.43Å; L70-Q74 WeakPolarHBondContact O-CB 3.34Å; L70-Q74 PolarHBondContact O-N 3.06Å; L70-L106 HydrophobicContact CD2-CD2 4Å
71K89.9Confident85.8Confident108 Ų10838.1 Ų38.147%0.4720%0.199SC..Hα-helixtrans-61.5-42.9171.1-72.7178.9-177.8179.40111.7I12 S67 I68 A73 Q74 E75I12-K71 HydrophobicContact CD1-CD 4.5Å; I12-K71 HydrophobicContact CD1-CG 3.8Å; S67-K71 WeakPolarHBondContact O-CG 3.43Å; S67-K71 PolarHBondContact O-N 3.33Å; I68-K71 PolarHBondContact O-N 2.65Å; K71-A73 VanDerWaalsContact C-N 3.3Å; K71-A73 PolarHBondContact O-N 3.36Å; K71-Q74 WeakPolarHBondContact O-CB 2.98Å; K71-Q74 PolarHBondContact O-N 2.86Å; K71-E75 WeakPolarHBondContact O-CG 3.4Å; K71-E75 PolarHBondContact O-N 3.08Å
72S86.4Confident85.1Confident17 Ų1738 Ų3812%0.11920%0.195CC..Hα-helixtrans-61.7-40176.2-55.30000111.6I68 T69 L70 L76 R105I68-S72 PolarHBondContact O-N 2.91Å; I68-S72 PolarHBondContact O-OG 3.29Å; T69-S72 WeakPolarHBondContact O-CB 3.27Å; T69-S72 PolarHBondContact O-N 3.16Å; L70-S72 VanDerWaalsContact C-N 3.33Å; S72-L76 WeakPolarHBondContact O-CB 2.97Å; S72-L76 PolarHBondContact O-N 3.34Å; S72-R105 PolarHBondContact OG-NH1 2.85Å; S72-R105 VanDerWaalsContact OG-NH1 3.07Å
73A89.9Confident83.6Confident0 Ų041 Ų410%022%0.216CC..Hα-helixtrans-65.4-41.8174.700000112.1I16 V33 T69 L70 K71 L76 I77 V102I16-A73 HydrophobicContact CD1-CB 4.26Å; V33-A73 HydrophobicContact CG1-CB 3.94Å; T69-A73 PolarHBondContact O-N 2.78Å; L70-A73 WeakPolarHBondContact O-CB 3.27Å; L70-A73 PolarHBondContact O-N 3.43Å; K71-A73 VanDerWaalsContact C-N 3.3Å; K71-A73 PolarHBondContact O-N 3.36Å; A73-L76 PolarHBondContact O-N 2.99Å; A73-I77 VanDerWaalsContact O-CG1 3.28Å; A73-I77 WeakPolarHBondContact O-CG1 3.27Å; A73-I77 PolarHBondContact O-N 3.03Å; A73-V102 HydrophobicContact CB-CG1 3.67Å
74Q91.9Very high82.1Confident35 Ų3547 Ų4716%0.16425%0.247CC..Hα-helixtrans-60.2-52.1176.2-175.8-177.4900111.7I12 I16 L19 L70 K71 L76 I77 E78I12-Q74 HydrophobicContact CG2-CB 4.44Å; I16-Q74 HydrophobicContact CD1-CB 4.31Å; I16-Q74 HydrophobicContact CG1-CB 3.9Å; I16-Q74 HydrophobicContact CG1-CG 4.31Å; L19-Q74 HydrophobicContact CD1-CG 3.53Å; L70-Q74 WeakPolarHBondContact O-CB 3.34Å; L70-Q74 PolarHBondContact O-N 3.06Å; K71-Q74 WeakPolarHBondContact O-CB 2.98Å; K71-Q74 PolarHBondContact O-N 2.86Å; Q74-L76 VanDerWaalsContact C-N 3.29Å; Q74-L76 PolarHBondContact O-N 3.3Å; Q74-I77 PolarHBondContact O-N 2.99Å; Q74-E78 WeakPolarHBondContact O-CB 3.47Å; Q74-E78 PolarHBondContact O-N 3.45Å
75E85.8Confident80.6Confident93 Ų9344.3 Ų44.344%0.43524%0.237SC..Hα-helixtrans-59.6-40.7178.3-71.6176.6175.700111.4K71 E78 K79K71-E75 WeakPolarHBondContact O-CG 3.4Å; K71-E75 PolarHBondContact O-N 3.08Å; E75-E78 PolarHBondContact O-N 2.87Å; E75-K79 WeakPolarHBondContact O-CG 3.35Å; E75-K79 PolarHBondContact O-N 2.82Å
76L84.8Confident79Confident3 Ų344 Ų442%0.01623%0.229CC..Hα-helixtrans-60.3-49.8175.8175.861.3000111.8S72 A73 Q74 E78 K79 Y80 E98 F99 V102S72-L76 WeakPolarHBondContact O-CB 2.97Å; S72-L76 PolarHBondContact O-N 3.34Å; A73-L76 PolarHBondContact O-N 2.99Å; Q74-L76 VanDerWaalsContact C-N 3.29Å; Q74-L76 PolarHBondContact O-N 3.3Å; L76-E78 VanDerWaalsContact C-N 3.34Å; L76-E78 PolarHBondContact O-N 3.09Å; L76-K79 WeakPolarHBondContact O-CB 3.5Å; L76-K79 PolarHBondContact O-N 2.9Å; L76-Y80 HydrophobicContact CD1-CE2 3.83Å; L76-Y80 HydrophobicContact CG-CE2 4.38Å; L76-Y80 WeakPolarHBondContact O-CD2 3.47Å; L76-Y80 WeakPolarHBondContact O-CE2 3.38Å; L76-E98 HydrophobicContact CD1-CB 3.79Å; L76-E98 VanDerWaalsContact CD1-OE2 3.27Å; L76-E98 WeakPolarHBondContact CD1-OE2 3.42Å; L76-F99 HydrophobicContact CD1-CE2 4.42Å; L76-F99 HydrophobicContact CD1-CZ 4.48Å; L76-F99 HydrophobicContact CD2-CD1 3.62Å; L76-F99 HydrophobicContact CD2-CD2 4.48Å; L76-F99 HydrophobicContact CD2-CE1 3.85Å; L76-F99 HydrophobicContact CD2-CG 3.96Å; L76-F99 HydrophobicContact CD2-CZ 4.39Å; L76-F99 HydrophobicContact CG-CD1 4.38Å; L76-F99 HydrophobicContact CG-CE1 4.14Å; L76-F99 HydrophobicContact CG-CZ 4.29Å; L76-V102 HydrophobicContact CD2-CB 4.06Å; L76-V102 HydrophobicContact CD2-CG2 3.71Å
77I86.9Confident77Confident0 Ų051.4 Ų51.40%026%0.261CS..Hα-helixtrans-66.3-39.2-178.3-67.4166.5000110.5I16 L19 V20 V23 V33 A73 Q74 K79 Y80I16-I77 HydrophobicContact CG2-CD1 3.7Å; L19-I77 HydrophobicContact CB-CG2 3.77Å; V20-I77 HydrophobicContact CG2-CD1 3.82Å; V20-I77 HydrophobicContact CG2-CG2 3.82Å; V23-I77 HydrophobicContact CG2-CG2 3.65Å; V33-I77 HydrophobicContact CB-CD1 4.37Å; V33-I77 HydrophobicContact CG1-CD1 3.88Å; A73-I77 VanDerWaalsContact O-CG1 3.28Å; A73-I77 WeakPolarHBondContact O-CG1 3.27Å; A73-I77 PolarHBondContact O-N 3.03Å; Q74-I77 PolarHBondContact O-N 2.99Å; I77-K79 PolarHBondContact O-N 2.99Å; I77-Y80 PolarHBondContact O-N 3.23Å
78E84.6Confident75.1Confident101 Ų10156.3 Ų56.347%0.47228%0.277SS..Hα-helixtrans-57.5-35.6178.8-172.2176-162.100112.4L19 Q74 E75 L76 Y80 T81L19-E78 HydrophobicContact CD1-CB 4.37Å; L19-E78 HydrophobicContact CD2-CB 4.37Å; L19-E78 HydrophobicContact CD2-CG 4.34Å; Q74-E78 WeakPolarHBondContact O-CB 3.47Å; Q74-E78 PolarHBondContact O-N 3.45Å; E75-E78 PolarHBondContact O-N 2.87Å; L76-E78 VanDerWaalsContact C-N 3.34Å; L76-E78 PolarHBondContact O-N 3.09Å; E78-Y80 PolarHBondContact O-N 3.35Å; E78-T81 PolarHBondContact O-N 3.33Å; E78-T81 VanDerWaalsContact O-N 3.13Å; E78-T81 PolarHBondContact O-OG1 3.49Å
79K78Confident73.4Confident65 Ų6552.9 Ų52.928%0.28326%0.259SS..THydrogen-bonded Turntrans-52.4-31.3176.2-69.9177.2-179.4-175.20112.8E75 L76 I77 R88 E98E75-K79 WeakPolarHBondContact O-CG 3.35Å; E75-K79 PolarHBondContact O-N 2.82Å; L76-K79 WeakPolarHBondContact O-CB 3.5Å; L76-K79 PolarHBondContact O-N 2.9Å; I77-K79 PolarHBondContact O-N 2.99Å; K79-R88 PolarHBondContact O-NH1 2.85Å; K79-E98 VanDerWaalsContact NZ-CD 3.3Å; K79-E98 IonicContact NZ-OE1 2.77Å; K79-E98 PolarHBondContact NZ-OE1 3.06Å; K79-E98 IonicContact NZ-OE2 2.85Å; K79-E98 PolarHBondContact NZ-OE2 3.46Å
80Y76.9Confident71.3Confident7 Ų755.3 Ų55.33%0.02727%0.271CS..THydrogen-bonded Turntrans-98.76.4-173.6-57.3-73.3000114.9K24 A25 N26 L76 I77 E78 H95 F99K24-Y80 PolarHBondContact N-O 2.65Å; A25-Y80 WeakPolarHBondContact O-CB 2.92Å; N26-Y80 HydrophobicContact CB-CD1 4.28Å; N26-Y80 HydrophobicContact CB-CE1 4.35Å; N26-Y80 HydrophobicContact CB-CG 4.46Å; N26-Y80 WeakPolarHBondContact ND2-CD1 3.48Å; N26-Y80 WeakPolarHBondContact ND2-CE1 3.48Å; L76-Y80 HydrophobicContact CD1-CE2 3.83Å; L76-Y80 HydrophobicContact CG-CE2 4.38Å; L76-Y80 WeakPolarHBondContact O-CD2 3.47Å; L76-Y80 WeakPolarHBondContact O-CE2 3.38Å; I77-Y80 PolarHBondContact O-N 3.23Å; E78-Y80 PolarHBondContact O-N 3.35Å; Y80-H95 AromaticContact CZ-ND1 3.94Å; Y80-H95 PolarHBondContact OH-ND1 3.18Å; Y80-F99 HydrophobicContact CD2-CE2 4.29Å; Y80-F99 AromaticContact CD2-CZ 3.89Å; Y80-F99 HydrophobicContact CD2-CZ 3.89Å; Y80-F99 AromaticContact CE2-CE2 3.43Å; Y80-F99 HydrophobicContact CE2-CE2 3.43Å; Y80-F99 VanDerWaalsContact CE2-CE2 3.43Å; Y80-F99 AromaticContact CE2-CZ 3.42Å; Y80-F99 HydrophobicContact CE2-CZ 3.42Å; Y80-F99 VanDerWaalsContact CE2-CZ 3.42Å; Y80-F99 AromaticContact CZ-CE2 3.65Å
81T75.4Confident69.1Low25 Ų2564.2 Ų64.215%0.15331%0.31CS..SBendtrans-87.1-17.9177.663.30000114L19 K22 V23 E78L19-T81 HydrophobicContact CD2-CG2 4.09Å; K22-T81 HydrophobicContact CB-CG2 4.14Å; V23-T81 HydrophobicContact CG2-CG2 4.16Å; E78-T81 PolarHBondContact O-N 3.33Å; E78-T81 VanDerWaalsContact O-N 3.13Å; E78-T81 PolarHBondContact O-OG1 3.49Å
82L65.3Low66.6Low92 Ų9260.4 Ų60.448%0.48230%0.297SS..SBendtrans-96.5148.2-171.1-70173.4000114N84L82-N84 PolarHBondContact O-N 2.92Å
83S52.6Low64.2Low83 Ų8363.5 Ų63.558%0.5832%0.319SS*.SBendtrans-74.2-17.7-170.9-48.80000116.1K24 L85K24-S83 PolarHBondContact NZ-OG 3.47Å; S83-L85 PolarHBondContact O-N 2.76Å
84N57.3Low62.4Low125 Ų12565.2 Ų65.267%0.66833%0.331SS*.  trans-85.848.4-178.6-72.1-8.4000112.1L82 V86 K87 R88L82-N84 PolarHBondContact O-N 2.92Å; N84-V86 VanDerWaalsContact C-N 3.34Å; N84-V86 PolarHBondContact O-N 3.43Å; N84-K87 PolarHBondContact O-N 3.35Å; N84-R88 PolarHBondContact O-N 3.39Å
85L52.7Low60.5Low30 Ų3065 Ų6516%0.15733%0.33CS..Hα-helixtrans-55.4-46.4-169.2-161.980.6000112A25 S83 K87 R88 I89 L149 M152A25-L85 HydrophobicContact CB-CD1 3.44Å; A25-L85 VanDerWaalsContact CB-CD1 3.44Å; A25-L85 HydrophobicContact CB-CD2 3.67Å; A25-L85 HydrophobicContact CB-CG 4.15Å; S83-L85 PolarHBondContact O-N 2.76Å; L85-K87 PolarHBondContact O-N 2.86Å; L85-R88 PolarHBondContact O-N 2.97Å; L85-I89 HydrophobicContact CB-CD1 4.49Å; L85-I89 HydrophobicContact CD1-CD1 4.44Å; L85-I89 HydrophobicContact CD2-CD1 3.76Å; L85-I89 HydrophobicContact CG-CD1 3.55Å; L85-I89 HydrophobicContact CG-CG1 4.3Å; L85-I89 WeakPolarHBondContact O-CB 3.32Å; L85-I89 WeakPolarHBondContact O-CG1 3.38Å; L85-I89 PolarHBondContact O-N 2.59Å; L85-L149 HydrophobicContact CD2-CD1 4.39Å; L85-M152 HydrophobicContact CD2-SD 4.32Å
86V50.5Low59.1Low25 Ų2561.3 Ų61.315%0.15232%0.316CS..Hα-helixtrans-60.5-46.7-178.8-176.20000111.2N84 R88 I89 L90 L153 Y156N84-V86 VanDerWaalsContact C-N 3.34Å; N84-V86 PolarHBondContact O-N 3.43Å; V86-R88 VanDerWaalsContact C-N 3.33Å; V86-R88 PolarHBondContact O-N 3.25Å; V86-I89 PolarHBondContact O-N 3.5Å; V86-L90 HydrophobicContact CG1-CD1 3.93Å; V86-L90 HydrophobicContact CG1-CG 4.36Å; V86-L90 WeakPolarHBondContact O-CB 3.46Å; V86-L90 WeakPolarHBondContact O-CD1 3.42Å; V86-L90 WeakPolarHBondContact O-CG 3.36Å; V86-L90 PolarHBondContact O-N 2.91Å; V86-L153 HydrophobicContact CG2-CD2 4.46Å; V86-Y156 HydrophobicContact CG2-CD1 4.3Å; V86-Y156 HydrophobicContact CG2-CE1 4.34Å
87K49.4Very low58Low158 Ų15862.1 Ų62.169%0.68732%0.321SS*.Hα-helixtrans-66-27.5-179.8-96.1-177.2177.1177.20114.7N84 L85N84-K87 PolarHBondContact O-N 3.35Å; L85-K87 PolarHBondContact O-N 2.86Å
88R51.1Low57.2Low122 Ų12263.8 Ų63.846%0.4633%0.329SS..Hα-helixtrans-86.1-38.4175.7-82.9-176.7170.8-176.2-2.3112.3K79 N84 L85 V86 L90 K91 S92K79-R88 PolarHBondContact O-NH1 2.85Å; N84-R88 PolarHBondContact O-N 3.39Å; L85-R88 PolarHBondContact O-N 2.97Å; V86-R88 VanDerWaalsContact C-N 3.33Å; V86-R88 PolarHBondContact O-N 3.25Å; R88-L90 PolarHBondContact O-N 3.18Å; R88-K91 PolarHBondContact O-N 3.19Å; R88-S92 PolarHBondContact O-N 3.38Å; R88-S92 PolarHBondContact O-OG 3.41Å
89I49.8Very low57Low13 Ų1359.1 Ų59.17%0.06731%0.307CS..Hα-helixtrans-57.4-38.4170.4-69.9172.1000110.7L85 V86 K91 L149 I177L85-I89 HydrophobicContact CB-CD1 4.49Å; L85-I89 HydrophobicContact CD1-CD1 4.44Å; L85-I89 HydrophobicContact CD2-CD1 3.76Å; L85-I89 HydrophobicContact CG-CD1 3.55Å; L85-I89 HydrophobicContact CG-CG1 4.3Å; L85-I89 WeakPolarHBondContact O-CB 3.32Å; L85-I89 WeakPolarHBondContact O-CG1 3.38Å; L85-I89 PolarHBondContact O-N 2.59Å; V86-I89 PolarHBondContact O-N 3.5Å; I89-K91 PolarHBondContact O-N 3.24Å; I89-L149 HydrophobicContact CD1-CD1 3.44Å; I89-L149 VanDerWaalsContact CD1-CD1 3.44Å; I89-L149 HydrophobicContact CD1-CD2 4.15Å; I89-L149 HydrophobicContact CD1-CG 4.45Å; I89-I177 HydrophobicContact CG2-CD1 3.99Å
90L45.9Very low56.9Low58 Ų5859.2 Ų59.230%0.30431%0.311SS..THydrogen-bonded Turntrans-62.8-22.4175.4-74.5170.1000114.7V86 R88 N173 I177V86-L90 HydrophobicContact CG1-CD1 3.93Å; V86-L90 HydrophobicContact CG1-CG 4.36Å; V86-L90 WeakPolarHBondContact O-CB 3.46Å; V86-L90 WeakPolarHBondContact O-CD1 3.42Å; V86-L90 WeakPolarHBondContact O-CG 3.36Å; V86-L90 PolarHBondContact O-N 2.91Å; R88-L90 PolarHBondContact O-N 3.18Å; L90-N173 HydrophobicContact CD2-CB 3.13Å; L90-N173 HydrophobicContact CG-CB 4.47Å; L90-I177 HydrophobicContact CD2-CD1 3.84Å; L90-I177 HydrophobicContact CG-CD1 4.48Å
91K45.4Very low56.9Low189 Ų18959.8 Ų59.882%0.82232%0.315SS*.THydrogen-bonded Turntrans-98.2-14.2-176.2-80.6-169.8173.1-169.20114.3R88 I89R88-K91 PolarHBondContact O-N 3.19Å; I89-K91 PolarHBondContact O-N 3.24Å
92S39Very low57.3Low27 Ų2758.6 Ų58.619%0.18931%0.308CS..  trans-129.394.6-177.559.90000111.7R88 S94 H95R88-S92 PolarHBondContact O-N 3.38Å; R88-S92 PolarHBondContact O-OG 3.41Å; S92-S94 PolarHBondContact O-N 3Å; S92-H95 PolarHBondContact O-NE2 3.49Å; S92-H95 PolarHBondContact OG-CE1 3.24Å; S92-H95 PolarHBondContact OG-NE2 2.6Å
93S35.7Very low58.2Low83 Ų8354.4 Ų54.458%0.5829%0.286SS*.SBendtrans-72.129.9179.452.40000114.7
94S51.5Low59.5Low36 Ų3652.7 Ų52.725%0.25227%0.269SS..  trans-156.145.4-166.4177.30000113.2S92 G96 D97S92-S94 PolarHBondContact O-N 3Å; S94-G96 VanDerWaalsContact C-N 3.35Å; S94-G96 PolarHBondContact O-N 3.4Å; S94-D97 PolarHBondContact O-N 3.28Å; S94-D97 VanDerWaalsContact OG-CB 3.26Å; S94-D97 WeakPolarHBondContact OG-CB 3.35Å; S94-D97 VanDerWaalsContact OG-CG 3.27Å; S94-D97 PolarHBondContact OG-OD2 3.41Å
95H52.2Low60.9Low30 Ų3047.1 Ų47.114%0.13924%0.239CC..Hα-helixtrans-65.1-34.4-179.1-67.2-61.7000114Y80 S92 D97 F99Y80-H95 AromaticContact CZ-ND1 3.94Å; Y80-H95 PolarHBondContact OH-ND1 3.18Å; S92-H95 PolarHBondContact O-NE2 3.49Å; S92-H95 PolarHBondContact OG-CE1 3.24Å; S92-H95 PolarHBondContact OG-NE2 2.6Å; H95-D97 VanDerWaalsContact C-N 3.3Å; H95-D97 PolarHBondContact O-N 3.28Å; H95-F99 WeakPolarHBondContact O-CD2 3.27Å
96G56.2Low62.6Low15 Ų1545.7 Ų45.716%0.15523%0.231CC..Hα-helixtrans-66.2-32.5178.400000113.3S94 N100S94-G96 VanDerWaalsContact C-N 3.35Å; S94-G96 PolarHBondContact O-N 3.4Å; G96-N100 WeakPolarHBondContact O-CB 3.42Å; G96-N100 PolarHBondContact O-N 2.82Å; G96-N100 PolarHBondContact O-ND2 3.04Å
97D61.5Low64.3Low21 Ų2145.6 Ų45.611%0.11223%0.23CC..Hα-helixtrans-81.5-31.3-168.4-46.6-36.5000111.5S94 H95 S101 P255 R341S94-D97 PolarHBondContact O-N 3.28Å; S94-D97 VanDerWaalsContact OG-CB 3.26Å; S94-D97 WeakPolarHBondContact OG-CB 3.35Å; S94-D97 VanDerWaalsContact OG-CG 3.27Å; S94-D97 PolarHBondContact OG-OD2 3.41Å; H95-D97 VanDerWaalsContact C-N 3.3Å; H95-D97 PolarHBondContact O-N 3.28Å; D97-S101 VanDerWaalsContact O-CB 3.24Å; D97-S101 WeakPolarHBondContact O-CB 3.37Å; D97-S101 PolarHBondContact O-N 3.42Å; D97-P255 HydrophobicContact CB-CB 4.47Å; D97-P255 HydrophobicContact CB-CG 4.05Å; D97-P255 VanDerWaalsContact CG-CG 3.48Å; D97-P255 WeakPolarHBondContact OD1-CG 2.98Å; D97-R341 IonicContact OD2-CZ 3.36Å; D97-R341 VanDerWaalsContact OD2-CZ 3.22Å; D97-R341 IonicContact OD2-NH1 3.27Å; D97-R341 PolarHBondContact OD2-NH1 3.35Å; D97-R341 IonicContact OD2-NH2 3.7Å; D97-R341 PolarHBondContact OD2-NH2 2.99Å
98E71.2Confident65.8Low35 Ų3539.6 Ų39.616%0.16421%0.205CC..Hα-helixtrans-67.6-43.7175.6-68.4-170.7-157.500112.5L76 K79 S101 V102L76-E98 HydrophobicContact CD1-CB 3.79Å; L76-E98 VanDerWaalsContact CD1-OE2 3.27Å; L76-E98 WeakPolarHBondContact CD1-OE2 3.42Å; K79-E98 VanDerWaalsContact NZ-CD 3.3Å; K79-E98 IonicContact NZ-OE1 2.77Å; K79-E98 PolarHBondContact NZ-OE1 3.06Å; K79-E98 IonicContact NZ-OE2 2.85Å; K79-E98 PolarHBondContact NZ-OE2 3.46Å; E98-S101 PolarHBondContact O-N 2.92Å; E98-V102 PolarHBondContact O-N 3.41Å
99F79.5Confident67.5Low2 Ų234.2 Ų34.21%0.00919%0.187CC..Hα-helixtrans-65.3-46.8175.8-81.3-76.2000111.4N26 R29 V33 L76 Y80 H95 S101 V102 N103N26-F99 HydrophobicContact CB-CE2 3.94Å; N26-F99 HydrophobicContact CB-CZ 3.99Å; R29-F99 HydrophobicContact CB-CD1 3.68Å; R29-F99 HydrophobicContact CB-CD2 4.04Å; R29-F99 HydrophobicContact CB-CE1 3.67Å; R29-F99 HydrophobicContact CB-CE2 4.02Å; R29-F99 HydrophobicContact CB-CG 3.87Å; R29-F99 HydrophobicContact CB-CZ 3.84Å; R29-F99 HydrophobicContact CG-CD2 4.4Å; R29-F99 HydrophobicContact CG-CG 4.36Å; V33-F99 HydrophobicContact CG2-CD1 3.84Å; V33-F99 HydrophobicContact CG2-CE1 4.21Å; L76-F99 HydrophobicContact CD1-CE2 4.42Å; L76-F99 HydrophobicContact CD1-CZ 4.48Å; L76-F99 HydrophobicContact CD2-CD1 3.62Å; L76-F99 HydrophobicContact CD2-CD2 4.48Å; L76-F99 HydrophobicContact CD2-CE1 3.85Å; L76-F99 HydrophobicContact CD2-CG 3.96Å; L76-F99 HydrophobicContact CD2-CZ 4.39Å; L76-F99 HydrophobicContact CG-CD1 4.38Å; L76-F99 HydrophobicContact CG-CE1 4.14Å; L76-F99 HydrophobicContact CG-CZ 4.29Å; Y80-F99 HydrophobicContact CD2-CE2 4.29Å; Y80-F99 AromaticContact CD2-CZ 3.89Å; Y80-F99 HydrophobicContact CD2-CZ 3.89Å; Y80-F99 AromaticContact CE2-CE2 3.43Å; Y80-F99 HydrophobicContact CE2-CE2 3.43Å; Y80-F99 VanDerWaalsContact CE2-CE2 3.43Å; Y80-F99 AromaticContact CE2-CZ 3.42Å; Y80-F99 HydrophobicContact CE2-CZ 3.42Å; Y80-F99 VanDerWaalsContact CE2-CZ 3.42Å; Y80-F99 AromaticContact CZ-CE2 3.65Å; H95-F99 WeakPolarHBondContact O-CD2 3.27Å; F99-S101 VanDerWaalsContact C-N 3.28Å; F99-S101 PolarHBondContact O-N 3.26Å; F99-V102 PolarHBondContact O-N 3.12Å; F99-N103 VanDerWaalsContact O-CB 3.25Å; F99-N103 WeakPolarHBondContact O-CB 3.26Å; F99-N103 PolarHBondContact O-N 3.03Å; F99-N103 PolarHBondContact O-ND2 3.2Å
100N74.9Confident69.1Low68 Ų6833.6 Ų33.636%0.36418%0.184SC..Hα-helixtrans-55.8-46.1175.5-72-12.5000110.8G96 V102 N103 E104G96-N100 WeakPolarHBondContact O-CB 3.42Å; G96-N100 PolarHBondContact O-N 2.82Å; G96-N100 PolarHBondContact O-ND2 3.04Å; N100-V102 PolarHBondContact O-N 2.98Å; N100-N103 WeakPolarHBondContact O-CB 3.28Å; N100-N103 PolarHBondContact O-N 2.8Å; N100-E104 VanDerWaalsContact O-CG 3.31Å; N100-E104 WeakPolarHBondContact O-CG 3.32Å; N100-E104 PolarHBondContact O-N 3.02Å
101S76.9Confident70.9Confident18 Ų1834.4 Ų34.413%0.12619%0.186CC..Hα-helixtrans-63.1-42178.9176.30000113.5D97 E98 F99 R105 R466D97-S101 VanDerWaalsContact O-CB 3.24Å; D97-S101 WeakPolarHBondContact O-CB 3.37Å; D97-S101 PolarHBondContact O-N 3.42Å; E98-S101 PolarHBondContact O-N 2.92Å; F99-S101 VanDerWaalsContact C-N 3.28Å; F99-S101 PolarHBondContact O-N 3.26Å; S101-R105 WeakPolarHBondContact O-CG 3.09Å; S101-R105 PolarHBondContact O-N 3.44Å; S101-R105 VanDerWaalsContact O-N 3.11Å; S101-R466 PolarHBondContact OG-NH2 3.38Å
102V85Confident72.7Confident0 Ų028.2 Ų28.20%017%0.166CC..Hα-helixtrans-66.2-41.8175.8166.40000110.7V33 A73 L76 E98 F99 N100 E104 R105 L106V33-V102 HydrophobicContact CG1-CG1 4.23Å; V33-V102 HydrophobicContact CG2-CG1 4.41Å; A73-V102 HydrophobicContact CB-CG1 3.67Å; L76-V102 HydrophobicContact CD2-CB 4.06Å; L76-V102 HydrophobicContact CD2-CG2 3.71Å; E98-V102 PolarHBondContact O-N 3.41Å; F99-V102 PolarHBondContact O-N 3.12Å; N100-V102 PolarHBondContact O-N 2.98Å; V102-E104 PolarHBondContact O-N 2.96Å; V102-R105 PolarHBondContact O-N 3.11Å; V102-L106 HydrophobicContact CG1-CD1 3.79Å; V102-L106 HydrophobicContact CG1-CG 4.21Å; V102-L106 WeakPolarHBondContact O-CB 3.37Å; V102-L106 VanDerWaalsContact O-CG 3.28Å; V102-L106 WeakPolarHBondContact O-CG 3.28Å; V102-L106 PolarHBondContact O-N 3.32Å
103N84.3Confident74.7Confident5 Ų526.9 Ų26.93%0.02716%0.157CC..Hα-helixtrans-62.2-41.4177.9-78.9-25000113.2R36 F99 N100 N107 D138R36-N103 PolarHBondContact NH1-ND2 3.41Å; R36-N103 VanDerWaalsContact NH1-ND2 3.11Å; R36-N103 PolarHBondContact NH1-OD1 3.16Å; F99-N103 VanDerWaalsContact O-CB 3.25Å; F99-N103 WeakPolarHBondContact O-CB 3.26Å; F99-N103 PolarHBondContact O-N 3.03Å; F99-N103 PolarHBondContact O-ND2 3.2Å; N100-N103 WeakPolarHBondContact O-CB 3.28Å; N100-N103 PolarHBondContact O-N 2.8Å; N103-N107 PolarHBondContact O-N 2.81Å; N103-N107 VanDerWaalsContact O-N 3.15Å; N103-D138 PolarHBondContact ND2-OD2 3.03Å
104E80.4Confident76.8Confident46 Ų4623.1 Ų23.122%0.21513%0.131CC..Hα-helixtrans-61.6-48.1171.8-69.6-63.5161.700111.4N100 V102 L106 N107 D108 R134N100-E104 VanDerWaalsContact O-CG 3.31Å; N100-E104 WeakPolarHBondContact O-CG 3.32Å; N100-E104 PolarHBondContact O-N 3.02Å; V102-E104 PolarHBondContact O-N 2.96Å; E104-L106 PolarHBondContact O-N 3.45Å; E104-N107 WeakPolarHBondContact O-CA 3.45Å; E104-N107 WeakPolarHBondContact O-CB 3.49Å; E104-N107 PolarHBondContact O-N 3.5Å; E104-N107 VanDerWaalsContact O-N 3.13Å; E104-D108 PolarHBondContact O-N 2.77Å; E104-R134 IonicContact OE1-CZ 2.63Å; E104-R134 VanDerWaalsContact OE1-CZ 3.26Å; E104-R134 IonicContact OE1-NH1 2.98Å; E104-R134 PolarHBondContact OE1-NH1 3.48Å; E104-R134 VanDerWaalsContact OE1-NH1 3.13Å; E104-R134 IonicContact OE1-NH2 3.49Å; E104-R134 PolarHBondContact OE1-NH2 3.24Å; E104-R134 IonicContact OE2-CZ 2.8Å; E104-R134 VanDerWaalsContact OE2-CZ 3.27Å; E104-R134 IonicContact OE2-NH1 2.94Å; E104-R134 PolarHBondContact OE2-NH1 3.09Å; E104-R134 IonicContact OE2-NH2 2.72Å; E104-R134 PolarHBondContact OE2-NH2 3.31Å
105R86.4Confident78Confident9 Ų928.2 Ų28.23%0.03416%0.155CC..Hα-helixtrans-67.1-34.1-179.5-72.7177.153.1-1791.8114T69 S72 S101 V102 N107 D108 A109 D463T69-R105 HydrophobicContact CG2-CB 3.6Å; T69-R105 PolarHBondContact OG1-NE 3.28Å; T69-R105 PolarHBondContact OG1-NH2 2.86Å; S72-R105 PolarHBondContact OG-NH1 2.85Å; S72-R105 VanDerWaalsContact OG-NH1 3.07Å; S101-R105 WeakPolarHBondContact O-CG 3.09Å; S101-R105 PolarHBondContact O-N 3.44Å; S101-R105 VanDerWaalsContact O-N 3.11Å; V102-R105 PolarHBondContact O-N 3.11Å; R105-N107 VanDerWaalsContact C-N 3.29Å; R105-D108 PolarHBondContact O-N 2.99Å; R105-A109 WeakPolarHBondContact O-CB 3.33Å; R105-A109 PolarHBondContact O-N 3.3Å; R105-D463 IonicContact CZ-OD1 2.78Å; R105-D463 IonicContact CZ-OD2 3.56Å; R105-D463 IonicContact NE-OD1 3.22Å; R105-D463 PolarHBondContact NE-OD1 2.91Å; R105-D463 IonicContact NE-OD2 3.72Å; R105-D463 IonicContact NH1-OD1 2.99Å; R105-D463 PolarHBondContact NH1-OD1 2.75Å; R105-D463 IonicContact NH1-OD2 3.3Å; R105-D463 PolarHBondContact NH1-OD2 2.94Å; R105-D463 IonicContact NH2-OD1 2.7Å; R105-D463 PolarHBondContact NH2-OD1 3.47Å; R105-D463 IonicContact NH2-OD2 3.76Å; R105-D463 PolarHBondContact NH2-OD2 2.93Å
106L87.6Confident79.2Confident0 Ų028.2 Ų28.20%016%0.16CC..Hα-helixtrans-65-39.1173.6-73.1169.8000110.3V33 R36 V37 L40 T69 L70 V102 E104 A109 F110 F129V33-L106 HydrophobicContact CG1-CD1 4Å; R36-L106 HydrophobicContact CB-CD1 4.08Å; V37-L106 HydrophobicContact CG2-CD1 4.26Å; V37-L106 HydrophobicContact CG2-CD2 4.22Å; L40-L106 HydrophobicContact CD1-CB 4.04Å; L40-L106 HydrophobicContact CD1-CD2 3.55Å; L40-L106 HydrophobicContact CD1-CG 4.38Å; T69-L106 HydrophobicContact CG2-CD2 3.65Å; T69-L106 HydrophobicContact CG2-CG 3.83Å; L70-L106 HydrophobicContact CD2-CD2 4Å; V102-L106 HydrophobicContact CG1-CD1 3.79Å; V102-L106 HydrophobicContact CG1-CG 4.21Å; V102-L106 WeakPolarHBondContact O-CB 3.37Å; V102-L106 VanDerWaalsContact O-CG 3.28Å; V102-L106 WeakPolarHBondContact O-CG 3.28Å; V102-L106 PolarHBondContact O-N 3.32Å; E104-L106 PolarHBondContact O-N 3.45Å; L106-A109 PolarHBondContact O-N 3.45Å; L106-F110 WeakPolarHBondContact O-CB 3Å; L106-F110 PolarHBondContact O-N 3.17Å; L106-F129 HydrophobicContact CB-CE1 4.23Å
107N85.8Confident80.1Confident22 Ų2228.5 Ų28.512%0.11816%0.158CC..Hα-helixtrans-63.7-46.7172.9179.568.7000111.9N103 E104 R105 A109 F110 Q111 F129N103-N107 PolarHBondContact O-N 2.81Å; N103-N107 VanDerWaalsContact O-N 3.15Å; E104-N107 WeakPolarHBondContact O-CA 3.45Å; E104-N107 WeakPolarHBondContact O-CB 3.49Å; E104-N107 PolarHBondContact O-N 3.5Å; E104-N107 VanDerWaalsContact O-N 3.13Å; R105-N107 VanDerWaalsContact C-N 3.29Å; N107-A109 VanDerWaalsContact C-N 3.28Å; N107-A109 PolarHBondContact O-N 3.3Å; N107-F110 WeakPolarHBondContact O-CA 3.41Å; N107-F110 WeakPolarHBondContact O-CB 3.38Å; N107-F110 PolarHBondContact O-N 2.97Å; N107-Q111 WeakPolarHBondContact O-CG 3.25Å; N107-Q111 PolarHBondContact O-N 3.09Å; N107-F129 HydrophobicContact CB-CD1 3.72Å; N107-F129 HydrophobicContact CB-CE1 4.16Å; N107-F129 WeakPolarHBondContact OD1-CB 3.45Å; N107-F129 WeakPolarHBondContact OD1-CD1 3.34Å; N107-F129 PolarHBondContact OD1-O 3.42Å
108D81.5Confident80.7Confident33 Ų3336 Ų3618%0.17619%0.192CC..Hα-helixtrans-58-43.2176.6-73.1-4.6000111.7E104 R105 F110 Q111 S112 Y314 L318E104-D108 PolarHBondContact O-N 2.77Å; R105-D108 PolarHBondContact O-N 2.99Å; D108-F110 VanDerWaalsContact C-N 3.32Å; D108-F110 PolarHBondContact O-N 3.49Å; D108-Q111 PolarHBondContact O-N 3.03Å; D108-S112 VanDerWaalsContact O-CB 3.26Å; D108-S112 WeakPolarHBondContact O-CB 3.33Å; D108-S112 PolarHBondContact O-N 3.42Å; D108-S112 PolarHBondContact O-OG 2.88Å; D108-Y314 PolarHBondContact OD2-OH 2.68Å; D108-L318 WeakPolarHBondContact OD1-CD2 3.43Å; D108-L318 WeakPolarHBondContact OD2-CD2 3.3Å
109A85.8Confident80.6Confident9 Ų936.6 Ų36.67%0.07420%0.196CC..Hα-helixtrans-63.6-39.7176.300000111.4L66 R105 L106 N107 L113L66-A109 HydrophobicContact CB-CB 4.21Å; L66-A109 HydrophobicContact CD1-CB 3.82Å; R105-A109 WeakPolarHBondContact O-CB 3.33Å; R105-A109 PolarHBondContact O-N 3.3Å; L106-A109 PolarHBondContact O-N 3.45Å; N107-A109 VanDerWaalsContact C-N 3.28Å; N107-A109 PolarHBondContact O-N 3.3Å; A109-L113 WeakPolarHBondContact O-CB 3.37Å; A109-L113 PolarHBondContact O-N 3.43Å
110F85.3Confident79.5Confident0 Ų044.8 Ų44.80%023%0.234CC..Hα-helixtrans-63.9-50.5175.8176.8-91.1000111.4L40 L43 L106 N107 D108 S112 L113 A114 L125 F126 F129L40-F110 HydrophobicContact CD2-CB 3.72Å; L40-F110 HydrophobicContact CD2-CD2 4.19Å; L40-F110 HydrophobicContact CD2-CG 4.47Å; L40-F110 HydrophobicContact CG-CB 4.39Å; L43-F110 HydrophobicContact CD1-CD2 3.4Å; L43-F110 VanDerWaalsContact CD1-CD2 3.4Å; L43-F110 HydrophobicContact CD1-CE2 3.48Å; L43-F110 VanDerWaalsContact CD1-CE2 3.48Å; L43-F110 HydrophobicContact CD1-CG 4.37Å; L43-F110 HydrophobicContact CD1-CZ 4.48Å; L43-F110 HydrophobicContact CG-CD2 4.48Å; L43-F110 HydrophobicContact CG-CE2 4.26Å; L106-F110 WeakPolarHBondContact O-CB 3Å; L106-F110 PolarHBondContact O-N 3.17Å; N107-F110 WeakPolarHBondContact O-CA 3.41Å; N107-F110 WeakPolarHBondContact O-CB 3.38Å; N107-F110 PolarHBondContact O-N 2.97Å; D108-F110 VanDerWaalsContact C-N 3.32Å; D108-F110 PolarHBondContact O-N 3.49Å; F110-S112 PolarHBondContact O-N 3.12Å; F110-L113 PolarHBondContact O-N 3.2Å; F110-A114 HydrophobicContact CE1-CB 4.45Å; F110-A114 WeakPolarHBondContact O-CB 3.46Å; F110-A114 PolarHBondContact O-N 3.11Å; F110-L125 HydrophobicContact CE2-CB 4.26Å; F110-L125 HydrophobicContact CE2-CD2 3.98Å; F110-L125 HydrophobicContact CZ-CB 4.3Å; F110-F126 AromaticContact CE1-CD1 3.67Å; F110-F126 HydrophobicContact CE1-CD1 3.67Å; F110-F126 AromaticContact CE1-CE1 3.78Å; F110-F126 HydrophobicContact CE1-CE1 3.78Å; F110-F126 HydrophobicContact CE1-CG 4.28Å; F110-F126 HydrophobicContact CE1-CZ 4.46Å; F110-F126 AromaticContact CZ-CD1 3.99Å; F110-F126 HydrophobicContact CZ-CD1 3.99Å; F110-F126 HydrophobicContact CZ-CD2 4.45Å; F110-F126 HydrophobicContact CZ-CE1 4.08Å; F110-F126 HydrophobicContact CZ-CG 4.19Å; F110-F126 HydrophobicContact CZ-CZ 4.35Å; F110-F129 HydrophobicContact CB-CD1 4.21Å; F110-F129 HydrophobicContact CB-CD2 3.94Å; F110-F129 HydrophobicContact CB-CE1 4.1Å; F110-F129 HydrophobicContact CB-CE2 3.82Å; F110-F129 HydrophobicContact CB-CG 4.12Å; F110-F129 HydrophobicContact CB-CZ 3.9Å; F110-F129 HydrophobicContact CD1-CB 3.94Å; F110-F129 AromaticContact CD1-CD2 3.7Å; F110-F129 HydrophobicContact CD1-CD2 3.7Å; F110-F129 HydrophobicContact CD1-CE2 4.36Å; F110-F129 AromaticContact CD1-CG 3.85Å; F110-F129 HydrophobicContact CD1-CG 3.85Å; F110-F129 AromaticContact CD2-CD2 3.44Å; F110-F129 HydrophobicContact CD2-CD2 3.44Å; F110-F129 VanDerWaalsContact CD2-CD2 3.44Å; F110-F129 AromaticContact CD2-CE2 3.39Å; F110-F129 HydrophobicContact CD2-CE2 3.39Å; F110-F129 HydrophobicContact CD2-CG 4.34Å; F110-F129 HydrophobicContact CD2-CZ 4.27Å; F110-F129 HydrophobicContact CE1-CB 4.19Å; F110-F129 HydrophobicContact CE1-CD2 4.04Å; F110-F129 HydrophobicContact CE1-CG 4.37Å; F110-F129 AromaticContact CE2-CD2 3.79Å; F110-F129 HydrophobicContact CE2-CD2 3.79Å; F110-F129 HydrophobicContact CE2-CE2 4.03Å; F110-F129 HydrophobicContact CG-CB 4.44Å; F110-F129 HydrophobicContact CG-CD1 4.43Å; F110-F129 AromaticContact CG-CD2 3.4Å; F110-F129 HydrophobicContact CG-CD2 3.4Å; F110-F129 AromaticContact CG-CE2 3.6Å; F110-F129 HydrophobicContact CG-CE2 3.6Å; F110-F129 AromaticContact CG-CG 3.84Å; F110-F129 HydrophobicContact CG-CG 3.84Å; F110-F129 HydrophobicContact CG-CZ 4.2Å; F110-F129 HydrophobicContact CZ-CD2 4.09Å
111Q82.9Confident78.5Confident74 Ų7448.8 Ų48.835%0.34625%0.25SS..Hα-helixtrans-61.7-46.1179.7-65.7-62.2-25.800111.6N107 D108 L113 A114 L115N107-Q111 WeakPolarHBondContact O-CG 3.25Å; N107-Q111 PolarHBondContact O-N 3.09Å; D108-Q111 PolarHBondContact O-N 3.03Å; Q111-L113 VanDerWaalsContact C-N 3.35Å; Q111-L113 PolarHBondContact O-N 3.04Å; Q111-A114 PolarHBondContact O-N 3.07Å; Q111-L115 VanDerWaalsContact O-CB 3.26Å; Q111-L115 WeakPolarHBondContact O-CB 3.38Å; Q111-L115 PolarHBondContact O-N 3.28Å
112S82.4Confident77.1Confident59 Ų5951.4 Ų51.441%0.41328%0.28SS..Hα-helixtrans-61-44.8178.5-57.10000111.4D108 F110 A116D108-S112 VanDerWaalsContact O-CB 3.26Å; D108-S112 WeakPolarHBondContact O-CB 3.33Å; D108-S112 PolarHBondContact O-N 3.42Å; D108-S112 PolarHBondContact O-OG 2.88Å; F110-S112 PolarHBondContact O-N 3.12Å; S112-A116 VanDerWaalsContact O-CB 3.29Å; S112-A116 WeakPolarHBondContact O-CB 3.47Å; S112-A116 PolarHBondContact O-N 3.16Å
113L81.9Confident75.7Confident0 Ų056.6 Ų56.60%031%0.308CS..Hα-helixtrans-72-40.9180-16466.8000111.8L43 V44 I47 L63 L66 A109 F110 Q111 L115 A116 L117L43-L113 HydrophobicContact CB-CD2 4.03Å; L43-L113 HydrophobicContact CD1-CD2 4.36Å; V44-L113 HydrophobicContact CG2-CD2 4.15Å; I47-L113 HydrophobicContact CD1-CD1 3.84Å; I47-L113 HydrophobicContact CD1-CD2 4.13Å; I47-L113 HydrophobicContact CD1-CG 4.2Å; L63-L113 HydrophobicContact CD2-CD1 4.07Å; L63-L113 HydrophobicContact CD2-CD2 4.47Å; L63-L113 HydrophobicContact CG-CD1 4.28Å; L66-L113 HydrophobicContact CD2-CD2 4.27Å; A109-L113 WeakPolarHBondContact O-CB 3.37Å; A109-L113 PolarHBondContact O-N 3.43Å; F110-L113 PolarHBondContact O-N 3.2Å; Q111-L113 VanDerWaalsContact C-N 3.35Å; Q111-L113 PolarHBondContact O-N 3.04Å; L113-L115 VanDerWaalsContact C-N 3.34Å; L113-L115 PolarHBondContact O-N 3.44Å; L113-A116 PolarHBondContact O-N 3.07Å; L113-L117 HydrophobicContact CG-CD1 4.04Å; L113-L117 WeakPolarHBondContact O-CB 3.22Å; L113-L117 WeakPolarHBondContact O-CG 3.43Å; L113-L117 PolarHBondContact O-N 3.02Å
114A79.2Confident74.3Confident4 Ų464.3 Ų64.33%0.03334%0.344CS..Hα-helixtrans-62.9-41.4177.300000111.8F110 Q111 L117 Q118 L119 F126F110-A114 HydrophobicContact CE1-CB 4.45Å; F110-A114 WeakPolarHBondContact O-CB 3.46Å; F110-A114 PolarHBondContact O-N 3.11Å; Q111-A114 PolarHBondContact O-N 3.07Å; A114-L117 CarbonylContact O-C 3.54Å; A114-L117 PolarHBondContact O-N 2.9Å; A114-Q118 PolarHBondContact O-N 2.72Å; A114-L119 HydrophobicContact CB-CD1 4.49Å; A114-L119 PolarHBondContact O-N 2.94Å; A114-F126 HydrophobicContact CB-CE1 4.5Å; A114-F126 HydrophobicContact CB-CZ 4.41Å
115L78.1Confident73.3Confident143 Ų14364.2 Ų64.275%0.74935%0.345SS*.Hα-helixtrans-64.6-48174.6-177.865.9000111.4Q111 L113 L117 Q118Q111-L115 VanDerWaalsContact O-CB 3.26Å; Q111-L115 WeakPolarHBondContact O-CB 3.38Å; Q111-L115 PolarHBondContact O-N 3.28Å; L113-L115 VanDerWaalsContact C-N 3.34Å; L113-L115 PolarHBondContact O-N 3.44Å; L115-L117 PolarHBondContact O-N 2.78Å; L115-Q118 PolarHBondContact O-N 2.87Å
116A75.4Confident72.1Confident29 Ų2965.1 Ų65.124%0.2435%0.349CS..Hα-helixtrans-61.8-25.2177.800000112.7V59 S112 L113V59-A116 HydrophobicContact CG2-CB 3.93Å; S112-A116 VanDerWaalsContact O-CB 3.29Å; S112-A116 WeakPolarHBondContact O-CB 3.47Å; S112-A116 PolarHBondContact O-N 3.16Å; L113-A116 PolarHBondContact O-N 3.07Å
117L76Confident71.1Confident22 Ų2273.8 Ų73.812%0.11538%0.382CS..THydrogen-bonded Turntrans-96.22.7176.5-64.3175000114.3I47 L113 A114 L115 L119I47-L117 HydrophobicContact CD1-CD1 3.85Å; I47-L117 HydrophobicContact CD1-CD2 4.08Å; I47-L117 HydrophobicContact CD1-CG 4.4Å; I47-L117 HydrophobicContact CG1-CD1 3.77Å; I47-L117 HydrophobicContact CG1-CD2 3.69Å; I47-L117 HydrophobicContact CG1-CG 4.33Å; L113-L117 HydrophobicContact CG-CD1 4.04Å; L113-L117 WeakPolarHBondContact O-CB 3.22Å; L113-L117 WeakPolarHBondContact O-CG 3.43Å; L113-L117 PolarHBondContact O-N 3.02Å; A114-L117 CarbonylContact O-C 3.54Å; A114-L117 PolarHBondContact O-N 2.9Å; L115-L117 PolarHBondContact O-N 2.78Å; L117-L119 VanDerWaalsContact C-N 3.26Å; L117-L119 HydrophobicContact CB-CD1 4.1Å; L117-L119 HydrophobicContact CB-CG 3.87Å; L117-L119 HydrophobicContact CD1-CD1 4.15Å; L117-L119 PolarHBondContact O-N 3.49Å
118Q74.2Confident70.2Confident178 Ų17874.6 Ų74.683%0.83239%0.387SS*.THydrogen-bonded Turntrans51.440.3-178.4-59.1-179.2-14.300113.5A114 L115A114-Q118 PolarHBondContact O-N 2.72Å; L115-Q118 PolarHBondContact O-N 2.87Å
119L68.3Low69.6Low48 Ų4873.3 Ų73.325%0.25138%0.38SS..  trans-79.5134.7-179.5-64173.8000111.5L43 A114 L117 F126L43-L119 HydrophobicContact CD2-CD1 3.39Å; A114-L119 HydrophobicContact CB-CD1 4.49Å; A114-L119 PolarHBondContact O-N 2.94Å; L117-L119 VanDerWaalsContact C-N 3.26Å; L117-L119 HydrophobicContact CB-CD1 4.1Å; L117-L119 HydrophobicContact CB-CG 3.87Å; L117-L119 HydrophobicContact CD1-CD1 4.15Å; L117-L119 PolarHBondContact O-N 3.49Å; L119-F126 HydrophobicContact CB-CZ 4.42Å
120E56.9Low68.9Low173 Ų17377.5 Ų77.581%0.80840%0.398SS*.  trans-76.4143.2175.9-68.8-174.5171.700112.6G122 F126E120-G122 PolarHBondContact O-N 2.63Å; E120-F126 WeakPolarHBondContact O-CE2 3.46Å
121H54.4Low67.8Low152 Ų15282.5 Ų82.570%0.70442%0.422SS*.THydrogen-bonded Turntrans-679.8-168.5-65.682.3000116.8
122G47.2Very low66.6Low73 Ų7384 Ų8475%0.75343%0.431SS*.THydrogen-bonded Turntrans-94.3-7.3-165.500000117.9E120E120-G122 PolarHBondContact O-N 2.63Å
123N55.4Low66Low109 Ų10983.1 Ų83.158%0.58343%0.425SS*.SBendtrans-91.4157.9-169.8-79.4-17.8000114.7L125 F126N123-L125 PolarHBondContact O-N 3.24Å; N123-L125 VanDerWaalsContact O-N 3.07Å; N123-F126 HydrophobicContact CB-CD2 4.24Å; N123-F126 WeakPolarHBondContact O-CB 3.43Å; N123-F126 PolarHBondContact O-N 3.39Å
124Q55.3Low65.9Low167 Ų16783.6 Ų83.678%0.7843%0.427SS*.Hα-helixtrans-52.5-29.6175.1-73.8-173.9-1800113.7F126 R127Q124-F126 VanDerWaalsContact C-N 3.25Å; Q124-F126 PolarHBondContact O-N 3.41Å; Q124-R127 WeakPolarHBondContact O-CB 3.41Å; Q124-R127 PolarHBondContact O-N 3.05Å; Q124-R127 VanDerWaalsContact O-N 3.13Å
125L58.5Low65.4Low45 Ų4587.6 Ų87.624%0.23645%0.445CS..Hα-helixtrans-52.4-38.5171.2-92.1139.9000113.4A39 L43 F110 N123 R127A39-L125 HydrophobicContact CB-CD2 3.74Å; A39-L125 WeakPolarHBondContact O-CD2 3.11Å; L43-L125 HydrophobicContact CG-CD2 4.29Å; F110-L125 HydrophobicContact CE2-CB 4.26Å; F110-L125 HydrophobicContact CE2-CD2 3.98Å; F110-L125 HydrophobicContact CZ-CB 4.3Å; N123-L125 PolarHBondContact O-N 3.24Å; N123-L125 VanDerWaalsContact O-N 3.07Å; L125-R127 VanDerWaalsContact C-N 3.35Å
126F62.9Low65.2Low27 Ų2787.5 Ų87.512%0.11844%0.438CS..Hα-helixtrans-73.1-26.2-179.7-72.7-89.6000112.6F110 A114 L119 E120 N123 Q124 V128 F129 E130F110-F126 AromaticContact CE1-CD1 3.67Å; F110-F126 HydrophobicContact CE1-CD1 3.67Å; F110-F126 AromaticContact CE1-CE1 3.78Å; F110-F126 HydrophobicContact CE1-CE1 3.78Å; F110-F126 HydrophobicContact CE1-CG 4.28Å; F110-F126 HydrophobicContact CE1-CZ 4.46Å; F110-F126 AromaticContact CZ-CD1 3.99Å; F110-F126 HydrophobicContact CZ-CD1 3.99Å; F110-F126 HydrophobicContact CZ-CD2 4.45Å; F110-F126 HydrophobicContact CZ-CE1 4.08Å; F110-F126 HydrophobicContact CZ-CG 4.19Å; F110-F126 HydrophobicContact CZ-CZ 4.35Å; A114-F126 HydrophobicContact CB-CE1 4.5Å; A114-F126 HydrophobicContact CB-CZ 4.41Å; L119-F126 HydrophobicContact CB-CZ 4.42Å; E120-F126 WeakPolarHBondContact O-CE2 3.46Å; N123-F126 HydrophobicContact CB-CD2 4.24Å; N123-F126 WeakPolarHBondContact O-CB 3.43Å; N123-F126 PolarHBondContact O-N 3.39Å; Q124-F126 VanDerWaalsContact C-N 3.25Å; Q124-F126 PolarHBondContact O-N 3.41Å; F126-V128 VanDerWaalsContact C-N 3.32Å; F126-V128 PolarHBondContact O-N 2.93Å; F126-F129 CarbonylContact O-C 3.6Å; F126-F129 PolarHBondContact O-N 3.21Å; F126-F129 VanDerWaalsContact O-N 3.15Å; F126-E130 PolarHBondContact O-N 3.1Å
127R66Low65.4Low182 Ų18289 Ų8969%0.68744%0.44SS*.Hα-helixtrans-65.2-35.3179-69.4-172.3178-168.1-1.1112.5Q124 L125 F129 E130Q124-R127 WeakPolarHBondContact O-CB 3.41Å; Q124-R127 PolarHBondContact O-N 3.05Å; Q124-R127 VanDerWaalsContact O-N 3.13Å; L125-R127 VanDerWaalsContact C-N 3.35Å; R127-F129 PolarHBondContact O-N 3.42Å; R127-E130 WeakPolarHBondContact O-CB 3.23Å; R127-E130 PolarHBondContact O-N 3.07Å
128V65.8Low65.3Low39 Ų3988.8 Ų88.824%0.23644%0.439CS..THydrogen-bonded Turntrans-65.3-23.1177.3-179.70000112R36 F126R36-V128 HydrophobicContact CG-CG1 3.65Å; F126-V128 VanDerWaalsContact C-N 3.32Å; F126-V128 PolarHBondContact O-N 2.93Å
129F70.1Confident65.3Low6 Ų685.3 Ų85.33%0.02642%0.423CS..THydrogen-bonded Turntrans-113.37.6-178.6-72.1-69.5000113R36 A39 L40 L106 N107 F110 F126 R127 Q131R36-F129 HydrophobicContact CB-CE1 3.97Å; R36-F129 HydrophobicContact CB-CZ 3.71Å; R36-F129 HydrophobicContact CG-CD1 4.49Å; R36-F129 HydrophobicContact CG-CE1 3.79Å; R36-F129 HydrophobicContact CG-CZ 3.88Å; A39-F129 HydrophobicContact CB-CE2 3.75Å; L40-F129 HydrophobicContact CD1-CZ 4.06Å; L40-F129 HydrophobicContact CG-CE2 4.45Å; L40-F129 HydrophobicContact CG-CZ 4.09Å; L106-F129 HydrophobicContact CB-CE1 4.23Å; N107-F129 HydrophobicContact CB-CD1 3.72Å; N107-F129 HydrophobicContact CB-CE1 4.16Å; N107-F129 WeakPolarHBondContact OD1-CB 3.45Å; N107-F129 WeakPolarHBondContact OD1-CD1 3.34Å; N107-F129 PolarHBondContact OD1-O 3.42Å; F110-F129 HydrophobicContact CB-CD1 4.21Å; F110-F129 HydrophobicContact CB-CD2 3.94Å; F110-F129 HydrophobicContact CB-CE1 4.1Å; F110-F129 HydrophobicContact CB-CE2 3.82Å; F110-F129 HydrophobicContact CB-CG 4.12Å; F110-F129 HydrophobicContact CB-CZ 3.9Å; F110-F129 HydrophobicContact CD1-CB 3.94Å; F110-F129 AromaticContact CD1-CD2 3.7Å; F110-F129 HydrophobicContact CD1-CD2 3.7Å; F110-F129 HydrophobicContact CD1-CE2 4.36Å; F110-F129 AromaticContact CD1-CG 3.85Å; F110-F129 HydrophobicContact CD1-CG 3.85Å; F110-F129 AromaticContact CD2-CD2 3.44Å; F110-F129 HydrophobicContact CD2-CD2 3.44Å; F110-F129 VanDerWaalsContact CD2-CD2 3.44Å; F110-F129 AromaticContact CD2-CE2 3.39Å; F110-F129 HydrophobicContact CD2-CE2 3.39Å; F110-F129 HydrophobicContact CD2-CG 4.34Å; F110-F129 HydrophobicContact CD2-CZ 4.27Å; F110-F129 HydrophobicContact CE1-CB 4.19Å; F110-F129 HydrophobicContact CE1-CD2 4.04Å; F110-F129 HydrophobicContact CE1-CG 4.37Å; F110-F129 AromaticContact CE2-CD2 3.79Å; F110-F129 HydrophobicContact CE2-CD2 3.79Å; F110-F129 HydrophobicContact CE2-CE2 4.03Å; F110-F129 HydrophobicContact CG-CB 4.44Å; F110-F129 HydrophobicContact CG-CD1 4.43Å; F110-F129 AromaticContact CG-CD2 3.4Å; F110-F129 HydrophobicContact CG-CD2 3.4Å; F110-F129 AromaticContact CG-CE2 3.6Å; F110-F129 HydrophobicContact CG-CE2 3.6Å; F110-F129 AromaticContact CG-CG 3.84Å; F110-F129 HydrophobicContact CG-CG 3.84Å; F110-F129 HydrophobicContact CG-CZ 4.2Å; F110-F129 HydrophobicContact CZ-CD2 4.09Å; F126-F129 CarbonylContact O-C 3.6Å; F126-F129 PolarHBondContact O-N 3.21Å; F126-F129 VanDerWaalsContact O-N 3.15Å; R127-F129 PolarHBondContact O-N 3.42Å; F129-Q131 PolarHBondContact O-N 3.38Å
130E71.8Confident65.8Low98 Ų9884.5 Ų84.546%0.45842%0.423SS..  trans-71123.1176.6-174.4-176.1-164.800109.6F126 R127 I132 S133 R134F126-E130 PolarHBondContact O-N 3.1Å; R127-E130 WeakPolarHBondContact O-CB 3.23Å; R127-E130 PolarHBondContact O-N 3.07Å; E130-I132 PolarHBondContact O-N 2.87Å; E130-S133 PolarHBondContact O-N 2.78Å; E130-S133 PolarHBondContact OE2-OG 2.78Å; E130-R134 WeakPolarHBondContact O-CB 3.41Å; E130-R134 PolarHBondContact O-N 2.97Å
131Q62.2Low66.8Low105 Ų10577 Ų7749%0.49139%0.388SS..Hα-helixtrans-54.9-46.6-167.8-176177.6-1.100113.9F129 Q135F129-Q131 PolarHBondContact O-N 3.38Å; Q131-Q135 WeakPolarHBondContact O-CG 3.38Å; Q131-Q135 PolarHBondContact O-N 2.85Å; Q131-Q135 VanDerWaalsContact O-N 3.09Å
132I56.9Low67.8Low106 Ų10670.4 Ų70.454%0.54436%0.359SS..Hα-helixtrans-68.4-41-177.2-62.9175000111E130 K136E130-I132 PolarHBondContact O-N 2.87Å; I132-K136 WeakPolarHBondContact O-CG 3.4Å; I132-K136 PolarHBondContact O-N 3.46Å
133S70.3Confident69.1Low40 Ų4073.6 Ų73.628%0.2835%0.349SS..Hα-helixtrans-66.1-48.1178.4-60.50000110.2E130 Q135 K136 E137E130-S133 PolarHBondContact O-N 2.78Å; E130-S133 PolarHBondContact OE2-OG 2.78Å; S133-Q135 PolarHBondContact O-N 2.64Å; S133-K136 PolarHBondContact O-N 3.21Å; S133-E137 WeakPolarHBondContact O-CB 3.4Å; S133-E137 VanDerWaalsContact O-CG 3.27Å; S133-E137 WeakPolarHBondContact O-CG 3.35Å; S133-E137 PolarHBondContact O-N 2.86Å
134R78.9Confident70.1Confident9 Ų972.9 Ų72.93%0.03434%0.342CS..Hα-helixtrans-57.5-47.1178164170.279.9125.723.3113.7E104 E130 K136 E137 D138E104-R134 IonicContact OE1-CZ 2.63Å; E104-R134 VanDerWaalsContact OE1-CZ 3.26Å; E104-R134 IonicContact OE1-NH1 2.98Å; E104-R134 PolarHBondContact OE1-NH1 3.48Å; E104-R134 VanDerWaalsContact OE1-NH1 3.13Å; E104-R134 IonicContact OE1-NH2 3.49Å; E104-R134 PolarHBondContact OE1-NH2 3.24Å; E104-R134 IonicContact OE2-CZ 2.8Å; E104-R134 VanDerWaalsContact OE2-CZ 3.27Å; E104-R134 IonicContact OE2-NH1 2.94Å; E104-R134 PolarHBondContact OE2-NH1 3.09Å; E104-R134 IonicContact OE2-NH2 2.72Å; E104-R134 PolarHBondContact OE2-NH2 3.31Å; E130-R134 WeakPolarHBondContact O-CB 3.41Å; E130-R134 PolarHBondContact O-N 2.97Å; R134-K136 VanDerWaalsContact C-N 3.33Å; R134-K136 PolarHBondContact O-N 2.86Å; R134-E137 PolarHBondContact O-N 3.27Å; R134-D138 WeakPolarHBondContact O-CB 3.46Å; R134-D138 VanDerWaalsContact O-CG 3.29Å; R134-D138 PolarHBondContact O-N 2.95Å
135Q69.5Low71.1Confident89 Ų8965 Ų6542%0.41631%0.305SS..Hα-helixtrans-61-44.6-178.7-77.7-179.5-21.300111.2Q131 S133 E139Q131-Q135 WeakPolarHBondContact O-CG 3.38Å; Q131-Q135 PolarHBondContact O-N 2.85Å; Q131-Q135 VanDerWaalsContact O-N 3.09Å; S133-Q135 PolarHBondContact O-N 2.64Å; Q135-E139 WeakPolarHBondContact O-CB 3.37Å; Q135-E139 VanDerWaalsContact O-CG 3.27Å; Q135-E139 WeakPolarHBondContact O-CG 3.27Å; Q135-E139 PolarHBondContact O-N 3.35Å
136K73.7Confident71.6Confident141 Ų14164 Ų6461%0.61330%0.3SS*.Hα-helixtrans-64.5-41.9178.2-70.8178.8179.1178.80112.4I132 S133 R134 A140I132-K136 WeakPolarHBondContact O-CG 3.4Å; I132-K136 PolarHBondContact O-N 3.46Å; S133-K136 PolarHBondContact O-N 3.21Å; R134-K136 VanDerWaalsContact C-N 3.33Å; R134-K136 PolarHBondContact O-N 2.86Å; K136-A140 WeakPolarHBondContact O-CB 3.34Å; K136-A140 PolarHBondContact O-N 2.96Å
137E78.6Confident72.1Confident61 Ų6165.2 Ų65.229%0.28532%0.315SS..Hα-helixtrans-65-51.4178.3-76.2-179.8141.100112R32 S133 R134 E139 A140 D141R32-E137 IonicContact CZ-OE1 2.79Å; R32-E137 IonicContact CZ-OE2 2.59Å; R32-E137 IonicContact NH1-OE1 3.45Å; R32-E137 PolarHBondContact NH1-OE1 2.96Å; R32-E137 IonicContact NH1-OE2 3.43Å; R32-E137 PolarHBondContact NH1-OE2 2.83Å; R32-E137 IonicContact NH2-OE1 3.39Å; S133-E137 WeakPolarHBondContact O-CB 3.4Å; S133-E137 VanDerWaalsContact O-CG 3.27Å; S133-E137 WeakPolarHBondContact O-CG 3.35Å; S133-E137 PolarHBondContact O-N 2.86Å; R134-E137 PolarHBondContact O-N 3.27Å; E137-E139 VanDerWaalsContact C-N 3.27Å; E137-E139 PolarHBondContact O-N 3.43Å; E137-A140 PolarHBondContact O-N 3.19Å; E137-A140 VanDerWaalsContact O-N 3.08Å; E137-D141 VanDerWaalsContact O-CG 3.32Å; E137-D141 PolarHBondContact O-N 3.04Å
138D75.4Confident72.4Confident17 Ų1759 Ų599%0.09129%0.293CS..Hα-helixtrans-61.6-38.3-179.3-72.56000110.7R32 R36 N103 R134 S142R32-D138 WeakPolarHBondContact CG-OD1 3.28Å; R36-D138 IonicContact CZ-OD1 3.29Å; R36-D138 VanDerWaalsContact CZ-OD1 3.28Å; R36-D138 IonicContact CZ-OD2 3.9Å; R36-D138 IonicContact NH1-OD1 2.59Å; R36-D138 PolarHBondContact NH1-OD1 2.89Å; R36-D138 IonicContact NH1-OD2 2.9Å; R36-D138 PolarHBondContact NH1-OD2 3.23Å; R36-D138 IonicContact NH2-OD1 2.76Å; R36-D138 PolarHBondContact NH2-OD1 3.48Å; R36-D138 IonicContact NH2-OD2 2.74Å; N103-D138 PolarHBondContact ND2-OD2 3.03Å; R134-D138 WeakPolarHBondContact O-CB 3.46Å; R134-D138 VanDerWaalsContact O-CG 3.29Å; R134-D138 PolarHBondContact O-N 2.95Å; D138-S142 WeakPolarHBondContact O-CB 3.41Å; D138-S142 PolarHBondContact O-N 2.78Å
139E74.5Confident72.6Confident105 Ų10557.8 Ų57.849%0.49129%0.286SS..Hα-helixtrans-67.1-38.7173.6-78.6-179.3-163.400113.7Q135 E137 S142 R143Q135-E139 WeakPolarHBondContact O-CB 3.37Å; Q135-E139 VanDerWaalsContact O-CG 3.27Å; Q135-E139 WeakPolarHBondContact O-CG 3.27Å; Q135-E139 PolarHBondContact O-N 3.35Å; E137-E139 VanDerWaalsContact C-N 3.27Å; E137-E139 PolarHBondContact O-N 3.43Å; E139-S142 WeakPolarHBondContact O-CB 3.41Å; E139-R143 WeakPolarHBondContact O-CG 3.25Å; E139-R143 PolarHBondContact O-N 2.84Å; E139-R143 IonicContact OE2-NH1 3.68Å; E139-R143 PolarHBondContact OE2-NH1 2.85Å
140A77.6Confident72.4Confident30 Ų3060.7 Ų60.725%0.24830%0.298CS..Hα-helixtrans-67.3-49.8177.900000111.1K136 E137 S142 R143 E144K136-A140 WeakPolarHBondContact O-CB 3.34Å; K136-A140 PolarHBondContact O-N 2.96Å; E137-A140 PolarHBondContact O-N 3.19Å; E137-A140 VanDerWaalsContact O-N 3.08Å; A140-S142 PolarHBondContact O-N 3.34Å; A140-R143 PolarHBondContact O-N 2.88Å; A140-R143 VanDerWaalsContact O-N 3.14Å; A140-E144 PolarHBondContact O-N 3.41Å
141D78.9Confident72.4Confident16 Ų1664 Ų649%0.08631%0.307CS..Hα-helixtrans-57.8-40.7176.5-67.8-26.1000110.5K28 R29 R32 E137 E144 D145K28-D141 HydrophobicContact CB-CB 3.79Å; R29-D141 HydrophobicContact CG-CB 4.37Å; R32-D141 IonicContact CZ-OD2 3.4Å; R32-D141 IonicContact NE-OD2 3.81Å; R32-D141 PolarHBondContact NE-OD2 3.22Å; R32-D141 IonicContact NH2-OD1 3.47Å; R32-D141 IonicContact NH2-OD2 2.62Å; R32-D141 PolarHBondContact NH2-OD2 3.21Å; E137-D141 VanDerWaalsContact O-CG 3.32Å; E137-D141 PolarHBondContact O-N 3.04Å; D141-E144 PolarHBondContact O-N 3.19Å; D141-D145 WeakPolarHBondContact O-CB 3.39Å; D141-D145 PolarHBondContact O-N 2.9Å
142S74.6Confident72.6Confident13 Ų1361.8 Ų61.89%0.09130%0.297CS..Hα-helixtrans-58.5-52.4174.4177.50000112.8R29 D138 E139 A140 E144 D145 D146 R185R29-S142 PolarHBondContact NH2-O 3.45Å; R29-S142 PolarHBondContact NH2-OG 3.02Å; D138-S142 WeakPolarHBondContact O-CB 3.41Å; D138-S142 PolarHBondContact O-N 2.78Å; E139-S142 WeakPolarHBondContact O-CB 3.41Å; A140-S142 PolarHBondContact O-N 3.34Å; S142-E144 VanDerWaalsContact C-N 3.33Å; S142-E144 PolarHBondContact O-N 2.93Å; S142-D145 PolarHBondContact O-N 3.42Å; S142-D146 WeakPolarHBondContact O-CB 3.4Å; S142-D146 PolarHBondContact O-N 2.97Å; S142-R185 PolarHBondContact OG-NH1 3.45Å
143R73.9Confident72.9Confident140 Ų14056.9 Ų56.953%0.52827%0.272SS..Hα-helixtrans-60.4-41.1178.5-74.8-177-66.1-97.5-1.8112.5E139 A140 A147E139-R143 WeakPolarHBondContact O-CG 3.25Å; E139-R143 PolarHBondContact O-N 2.84Å; E139-R143 IonicContact OE2-NH1 3.68Å; E139-R143 PolarHBondContact OE2-NH1 2.85Å; A140-R143 PolarHBondContact O-N 2.88Å; A140-R143 VanDerWaalsContact O-N 3.14Å; R143-A147 WeakPolarHBondContact O-CB 3.49Å; R143-A147 PolarHBondContact O-N 2.9Å; R143-A147 VanDerWaalsContact O-N 3.11Å
144E76Confident72.6Confident94 Ų9459.2 Ų59.244%0.43928%0.279SS..Hα-helixtrans-65.8-49179.4-75-175.6-15000111.9K28 A140 D141 S142 D146 A147 E148K28-E144 WeakPolarHBondContact CE-OE2 3.33Å; K28-E144 HydrophobicContact CG-CB 4.29Å; K28-E144 IonicContact NZ-OE2 2.89Å; K28-E144 PolarHBondContact NZ-OE2 3.09Å; A140-E144 PolarHBondContact O-N 3.41Å; D141-E144 PolarHBondContact O-N 3.19Å; S142-E144 VanDerWaalsContact C-N 3.33Å; S142-E144 PolarHBondContact O-N 2.93Å; E144-D146 VanDerWaalsContact C-N 3.33Å; E144-D146 PolarHBondContact O-N 3.01Å; E144-A147 PolarHBondContact O-N 2.75Å; E144-E148 PolarHBondContact O-N 3.13Å
145D76.4Confident72Confident3 Ų365.1 Ų65.12%0.01631%0.307CS..Hα-helixtrans-64-37.7179.6-79.6-28.5000111.8N26 K27 K28 R29 D141 S142 A147 E148 L149N26-D145 VanDerWaalsContact CA-OD2 3.25Å; N26-D145 WeakPolarHBondContact CA-OD2 3.32Å; K27-D145 PolarHBondContact N-OD1 3.37Å; K27-D145 VanDerWaalsContact N-OD1 3.1Å; K28-D145 PolarHBondContact N-OD1 3.19Å; K28-D145 PolarHBondContact N-OD2 2.85Å; R29-D145 WeakPolarHBondContact CB-OD2 3.47Å; R29-D145 VanDerWaalsContact CG-OD2 3.27Å; R29-D145 WeakPolarHBondContact CG-OD2 3.32Å; R29-D145 PolarHBondContact N-OD2 3.46Å; D141-D145 WeakPolarHBondContact O-CB 3.39Å; D141-D145 PolarHBondContact O-N 2.9Å; S142-D145 PolarHBondContact O-N 3.42Å; D145-A147 VanDerWaalsContact C-N 3.35Å; D145-E148 PolarHBondContact O-N 3.37Å; D145-L149 WeakPolarHBondContact O-CB 3.35Å; D145-L149 PolarHBondContact O-N 2.91Å
146D69.6Low71.6Confident24 Ų2466.7 Ų66.713%0.12831%0.31CS..Hα-helixtrans-67.1-36.7176.6-58.8-38.2000111.9R29 S142 E144 L149 K150 L181 R185R29-D146 IonicContact CZ-OD1 2.87Å; R29-D146 IonicContact NH1-OD1 3.79Å; R29-D146 IonicContact NH2-OD1 2.78Å; R29-D146 PolarHBondContact NH2-OD1 3.15Å; R29-D146 IonicContact NH2-OD2 2.72Å; R29-D146 PolarHBondContact NH2-OD2 2.86Å; S142-D146 WeakPolarHBondContact O-CB 3.4Å; S142-D146 PolarHBondContact O-N 2.97Å; E144-D146 VanDerWaalsContact C-N 3.33Å; E144-D146 PolarHBondContact O-N 3.01Å; D146-L149 PolarHBondContact O-N 2.94Å; D146-K150 WeakPolarHBondContact O-CB 3.42Å; D146-K150 PolarHBondContact O-N 2.91Å; D146-L181 HydrophobicContact CB-CD2 4.32Å; D146-R185 IonicContact OD1-NH2 2.64Å; D146-R185 PolarHBondContact OD1-NH2 3.3Å; D146-R185 IonicContact OD2-CZ 2.75Å; D146-R185 IonicContact OD2-NH1 3.13Å; D146-R185 PolarHBondContact OD2-NH1 3.25Å; D146-R185 IonicContact OD2-NH2 3.26Å; D146-R185 PolarHBondContact OD2-NH2 3.5Å
147A73.3Confident70.8Confident51 Ų5161 Ų6142%0.42129%0.292SS..Hα-helixtrans-68.6-38.9175.200000111.9R143 E144 D145 R151R143-A147 WeakPolarHBondContact O-CB 3.49Å; R143-A147 PolarHBondContact O-N 2.9Å; R143-A147 VanDerWaalsContact O-N 3.11Å; E144-A147 PolarHBondContact O-N 2.75Å; D145-A147 VanDerWaalsContact C-N 3.35Å; A147-R151 PolarHBondContact O-N 3.04Å; A147-R151 VanDerWaalsContact O-N 3.15Å
148E72.9Confident69.9Low51 Ų5164.7 Ų64.724%0.23831%0.309CS..Hα-helixtrans-62.6-47.2172.8-162-173.4169.900110.5K27 E144 D145 K150 R151 M152K27-E148 IonicContact NZ-OE1 3.37Å; K27-E148 PolarHBondContact NZ-OE1 2.89Å; E144-E148 PolarHBondContact O-N 3.13Å; D145-E148 PolarHBondContact O-N 3.37Å; E148-K150 PolarHBondContact O-N 3Å; E148-R151 WeakPolarHBondContact O-CB 3.4Å; E148-R151 PolarHBondContact O-N 3.27Å; E148-M152 HydrophobicContact CG-CE 3.69Å; E148-M152 WeakPolarHBondContact O-CG 3.24Å; E148-M152 PolarHBondContact O-N 2.72Å; E148-M152 WeakPolarHBondContact OE1-CE 3.25Å
149L69.8Low68.9Low15 Ų1571 Ų718%0.07933%0.333CS..Hα-helixtrans-61-43.7178.1176.758.6000112.1L85 I89 D145 D146 R151 M152 L153L85-L149 HydrophobicContact CD2-CD1 4.39Å; I89-L149 HydrophobicContact CD1-CD1 3.44Å; I89-L149 VanDerWaalsContact CD1-CD1 3.44Å; I89-L149 HydrophobicContact CD1-CD2 4.15Å; I89-L149 HydrophobicContact CD1-CG 4.45Å; D145-L149 WeakPolarHBondContact O-CB 3.35Å; D145-L149 PolarHBondContact O-N 2.91Å; D146-L149 PolarHBondContact O-N 2.94Å; L149-R151 VanDerWaalsContact C-N 3.28Å; L149-R151 PolarHBondContact O-N 3.24Å; L149-M152 PolarHBondContact O-N 2.83Å; L149-L153 HydrophobicContact CD1-CD1 4.05Å; L149-L153 HydrophobicContact CD1-CG 4.04Å; L149-L153 HydrophobicContact CG-CD1 3.95Å; L149-L153 HydrophobicContact CG-CG 4.4Å; L149-L153 WeakPolarHBondContact O-CB 3.2Å; L149-L153 WeakPolarHBondContact O-CG 3.43Å; L149-L153 PolarHBondContact O-N 2.86Å
150K66.5Low67.8Low66 Ų6667.2 Ų67.229%0.28732%0.317SS..Hα-helixtrans-57.6-42.6176.5-175.2177.7171-178.10111.6D146 E148 L153 M154 L181 N182D146-K150 WeakPolarHBondContact O-CB 3.42Å; D146-K150 PolarHBondContact O-N 2.91Å; E148-K150 PolarHBondContact O-N 3Å; K150-L153 PolarHBondContact O-N 3.32Å; K150-M154 HydrophobicContact CD-CE 4.4Å; K150-M154 VanDerWaalsContact CE-CE 3.42Å; K150-M154 HydrophobicContact CG-CE 4.11Å; K150-M154 HydrophobicContact CG-SD 4.36Å; K150-M154 WeakPolarHBondContact O-CG 3.36Å; K150-M154 PolarHBondContact O-N 3.35Å; K150-L181 HydrophobicContact CB-CD1 4.15Å; K150-N182 VanDerWaalsContact CE-OD1 3.24Å; K150-N182 WeakPolarHBondContact CE-OD1 3.49Å; K150-N182 PolarHBondContact NZ-OD1 2.93Å
151R71Confident66.5Low168 Ų16873.4 Ų73.463%0.63434%0.341SS*.Hα-helixtrans-63.1-47.4176.5-167.1-164.8-35.1-124.2-1.7111.6A147 E148 L149 L153 M154 E155A147-R151 PolarHBondContact O-N 3.04Å; A147-R151 VanDerWaalsContact O-N 3.15Å; E148-R151 WeakPolarHBondContact O-CB 3.4Å; E148-R151 PolarHBondContact O-N 3.27Å; L149-R151 VanDerWaalsContact C-N 3.28Å; L149-R151 PolarHBondContact O-N 3.24Å; R151-L153 VanDerWaalsContact C-N 3.3Å; R151-L153 PolarHBondContact O-N 3.08Å; R151-M154 PolarHBondContact O-N 3.43Å; R151-E155 PolarHBondContact O-N 3.1Å
152M67.1Low65.4Low58 Ų5877.9 Ų77.929%0.28637%0.369SS..Hα-helixtrans-60-41.5177.6-66.6-171.5-161.900111.5L85 E148 L149 E155 Y156L85-M152 HydrophobicContact CD2-SD 4.32Å; E148-M152 HydrophobicContact CG-CE 3.69Å; E148-M152 WeakPolarHBondContact O-CG 3.24Å; E148-M152 PolarHBondContact O-N 2.72Å; E148-M152 WeakPolarHBondContact OE1-CE 3.25Å; L149-M152 PolarHBondContact O-N 2.83Å; M152-E155 PolarHBondContact O-N 2.89Å; M152-Y156 WeakPolarHBondContact O-CB 3.3Å; M152-Y156 PolarHBondContact O-N 3.03Å
153L62.4Low64.1Low3 Ų383.3 Ų83.32%0.01639%0.394CS..Hα-helixtrans-67.8-35.3178.3-73.1170.7000112.8V86 L149 K150 R151 G157 V174 I177 L181V86-L153 HydrophobicContact CG2-CD2 4.46Å; L149-L153 HydrophobicContact CD1-CD1 4.05Å; L149-L153 HydrophobicContact CD1-CG 4.04Å; L149-L153 HydrophobicContact CG-CD1 3.95Å; L149-L153 HydrophobicContact CG-CG 4.4Å; L149-L153 WeakPolarHBondContact O-CB 3.2Å; L149-L153 WeakPolarHBondContact O-CG 3.43Å; L149-L153 PolarHBondContact O-N 2.86Å; K150-L153 PolarHBondContact O-N 3.32Å; R151-L153 VanDerWaalsContact C-N 3.3Å; R151-L153 PolarHBondContact O-N 3.08Å; L153-G157 PolarHBondContact O-N 3.27Å; L153-V174 HydrophobicContact CB-CG1 4.39Å; L153-V174 HydrophobicContact CD2-CG2 4.38Å; L153-I177 HydrophobicContact CD1-CB 4.31Å; L153-I177 HydrophobicContact CD1-CG2 3.47Å; L153-I177 VanDerWaalsContact CD1-CG2 3.47Å; L153-L181 HydrophobicContact CD1-CD1 4.26Å
154M63.8Low63.1Low89 Ų8984.4 Ų84.444%0.43841%0.405SS..Hα-helixtrans-66.5-47174.2-75.4175.9168.700111.3K150 R151 Y156 G157 E158 V178K150-M154 HydrophobicContact CD-CE 4.4Å; K150-M154 VanDerWaalsContact CE-CE 3.42Å; K150-M154 HydrophobicContact CG-CE 4.11Å; K150-M154 HydrophobicContact CG-SD 4.36Å; K150-M154 WeakPolarHBondContact O-CG 3.36Å; K150-M154 PolarHBondContact O-N 3.35Å; R151-M154 PolarHBondContact O-N 3.43Å; M154-Y156 VanDerWaalsContact C-N 3.32Å; M154-Y156 PolarHBondContact O-N 3.15Å; M154-G157 WeakPolarHBondContact O-CA 3.43Å; M154-G157 PolarHBondContact O-N 3.42Å; M154-G157 VanDerWaalsContact O-N 3.08Å; M154-E158 PolarHBondContact O-N 3.25Å; M154-V178 HydrophobicContact CE-CG1 4.37Å
155E65.9Low61.7Low134 Ų13490.3 Ų90.363%0.62642%0.423SS*.Hα-helixtrans-62.1-40.1176.4-171.8176.6-172.500111.7R151 M152 G157 E158 Y159R151-E155 PolarHBondContact O-N 3.1Å; M152-E155 PolarHBondContact O-N 2.89Å; E155-G157 VanDerWaalsContact C-N 3.35Å; E155-E158 PolarHBondContact O-N 3.28Å; E155-Y159 WeakPolarHBondContact O-CB 3.42Å; E155-Y159 PolarHBondContact O-N 3.36Å
156Y61.8Low60.6Low121 Ų12197.1 Ų97.148%0.47546%0.46SS..Hα-helixtrans-67.3-36173.2-138.7-96.8000112V86 M152 M154 Y159 V160V86-Y156 HydrophobicContact CG2-CD1 4.3Å; V86-Y156 HydrophobicContact CG2-CE1 4.34Å; M152-Y156 WeakPolarHBondContact O-CB 3.3Å; M152-Y156 PolarHBondContact O-N 3.03Å; M154-Y156 VanDerWaalsContact C-N 3.32Å; M154-Y156 PolarHBondContact O-N 3.15Å; Y156-Y159 PolarHBondContact O-N 3.07Å; Y156-V160 HydrophobicContact CD1-CG2 4.03Å; Y156-V160 HydrophobicContact CE1-CG2 4.43Å; Y156-V160 WeakPolarHBondContact O-CB 3.39Å; Y156-V160 WeakPolarHBondContact O-CG2 3.49Å; Y156-V160 PolarHBondContact O-N 3.13Å
157G56.6Low59.6Low23 Ų2397.7 Ų97.724%0.23746%0.463CS..Hα-helixtrans-63.7-43.1175.400000112.7L153 M154 E155 V160 E161L153-G157 PolarHBondContact O-N 3.27Å; M154-G157 WeakPolarHBondContact O-CA 3.43Å; M154-G157 PolarHBondContact O-N 3.42Å; M154-G157 VanDerWaalsContact O-N 3.08Å; E155-G157 VanDerWaalsContact C-N 3.35Å; G157-V160 WeakPolarHBondContact O-CB 3.28Å; G157-V160 PolarHBondContact O-N 3.31Å; G157-E161 PolarHBondContact O-N 2.91Å
158E59.4Low58.7Low137 Ų137103 Ų10364%0.6448%0.479SS*.Hα-helixtrans-65.7-40.9173.6-71.8179.2175.300111.7M154 E155 V160 E161M154-E158 PolarHBondContact O-N 3.25Å; E155-E158 PolarHBondContact O-N 3.28Å; E158-V160 VanDerWaalsContact C-N 3.27Å; E158-V160 PolarHBondContact O-N 2.94Å; E158-E161 PolarHBondContact O-N 3.42Å
159Y53.9Low57.7Low151 Ų151106.6 Ų106.659%0.59250%0.5SS*.Hα-helixtrans-60.3-39.4172.8-176.6-98.6000111.8E155 Y156 T162E155-Y159 WeakPolarHBondContact O-CB 3.42Å; E155-Y159 PolarHBondContact O-N 3.36Å; Y156-Y159 PolarHBondContact O-N 3.07Å; Y159-T162 PolarHBondContact O-N 2.68Å; Y159-T162 PolarHBondContact O-OG1 3.35Å
160V51.4Low56.9Low24 Ų24108.9 Ų108.915%0.14551%0.511CS..Hα-helixtrans-69.3-31178.9161.50000111.7Y156 G157 E158 T162 M163 L167Y156-V160 HydrophobicContact CD1-CG2 4.03Å; Y156-V160 HydrophobicContact CE1-CG2 4.43Å; Y156-V160 WeakPolarHBondContact O-CB 3.39Å; Y156-V160 WeakPolarHBondContact O-CG2 3.49Å; Y156-V160 PolarHBondContact O-N 3.13Å; G157-V160 WeakPolarHBondContact O-CB 3.28Å; G157-V160 PolarHBondContact O-N 3.31Å; E158-V160 VanDerWaalsContact C-N 3.27Å; E158-V160 PolarHBondContact O-N 2.94Å; V160-T162 PolarHBondContact O-N 3.31Å; V160-M163 PolarHBondContact O-N 2.73Å; V160-L167 HydrophobicContact CB-CD2 4.16Å; V160-L167 HydrophobicContact CG1-CD2 3.15Å; V160-L167 HydrophobicContact CG1-CG 3.86Å; V160-L167 WeakPolarHBondContact O-CD2 3.49Å
161E51.9Low56.4Low161 Ų161111.7 Ų111.775%0.75252%0.524SS*.THydrogen-bonded Turntrans-55.9-18.5174-76.9-170152.900114.4G157 E158G157-E161 PolarHBondContact O-N 2.91Å; E158-E161 PolarHBondContact O-N 3.42Å
162T54.4Low55.8Low109 Ų109106.1 Ų106.167%0.66951%0.51SS*.THydrogen-bonded Turntrans-92.1-8-175.666.80000116Y159 V160Y159-T162 PolarHBondContact O-N 2.68Å; Y159-T162 PolarHBondContact O-OG1 3.35Å; V160-T162 PolarHBondContact O-N 3.31Å
163M49Very low55.3Low128 Ų128106 Ų10663%0.63151%0.511SS*.SBendtrans-130.1148.7-179.1-65.4-15271.900111.4V160 L167V160-M163 PolarHBondContact O-N 2.73Å; M163-L167 HydrophobicContact CB-CD1 4.32Å; M163-L167 WeakPolarHBondContact O-CD1 3.31Å; M163-L167 WeakPolarHBondContact O-CD2 3.46Å
164Q51.9Low54.9Low163 Ų163106.6 Ų106.676%0.76252%0.515SS*.  trans-117.1154.9-171.3-96.4-174.2-3.500115.6
165R47.7Very low54.7Low217 Ų217105.6 Ų105.682%0.81951%0.514SS*.SBendtrans87-35.7162.5-69.6-175.1-155.9138.68.1121.9L167R165-L167 PolarHBondContact O-N 2.92Å; R165-L167 VanDerWaalsContact O-N 3.13Å
166D52.9Low54.2Low147 Ų147104.6 Ų104.679%0.78651%0.507SS*.THydrogen-bonded Turntrans-82.517.9168-71.9-18.5000112.7
167L48.8Very low53.8Low36 Ų36100 Ų10019%0.18849%0.49CS..THydrogen-bonded Turntrans-113.2-21.2-149.9-113.6100.8000114.8V160 M163 R165 I170 K171V160-L167 HydrophobicContact CB-CD2 4.16Å; V160-L167 HydrophobicContact CG1-CD2 3.15Å; V160-L167 HydrophobicContact CG1-CG 3.86Å; V160-L167 WeakPolarHBondContact O-CD2 3.49Å; M163-L167 HydrophobicContact CB-CD1 4.32Å; M163-L167 WeakPolarHBondContact O-CD1 3.31Å; M163-L167 WeakPolarHBondContact O-CD2 3.46Å; R165-L167 PolarHBondContact O-N 2.92Å; R165-L167 VanDerWaalsContact O-N 3.13Å; L167-I170 PolarHBondContact O-N 3.49Å; L167-K171 WeakPolarHBondContact O-CB 3.35Å; L167-K171 PolarHBondContact O-N 3.2Å
168E53.4Low53.7Low161 Ų161100.1 Ų100.175%0.75249%0.486SS*.Hα-helixtrans-69.7-38.3-176.6-71.2-175.3166.500111.5S172E168-S172 WeakPolarHBondContact O-CB 3.39Å; E168-S172 PolarHBondContact O-N 3.02Å
169D52.7Low53.6Low127 Ų12798.8 Ų98.868%0.67948%0.48SS*.Hα-helixtrans-66.1-43.2173.4-89.1-1.7000111.7N173D169-N173 WeakPolarHBondContact O-CB 3.28Å; D169-N173 PolarHBondContact O-N 3.06Å; D169-N173 PolarHBondContact O-ND2 3.26Å
170I53.4Low53.5Low63 Ų6396.3 Ų96.332%0.32348%0.475SS..Hα-helixtrans-65.8-45.4178.2-62.4176.5000110L167 N173 V174L167-I170 PolarHBondContact O-N 3.49Å; I170-N173 PolarHBondContact O-N 3.48Å; I170-V174 HydrophobicContact CG2-CG2 4.36Å; I170-V174 VanDerWaalsContact O-CG2 3.31Å; I170-V174 WeakPolarHBondContact O-CG2 3.4Å; I170-V174 PolarHBondContact O-N 2.64Å
171K56.1Low53.4Low125 Ų12597.7 Ų97.754%0.54348%0.482SS..Hα-helixtrans-60.6-49.7176.4-177.9177.8-178.61740111.7L167 N173 V174 V175L167-K171 WeakPolarHBondContact O-CB 3.35Å; L167-K171 PolarHBondContact O-N 3.2Å; K171-N173 PolarHBondContact O-N 3.37Å; K171-V174 PolarHBondContact O-N 2.83Å; K171-V175 HydrophobicContact CG-CG2 4.46Å; K171-V175 WeakPolarHBondContact O-CB 3.17Å; K171-V175 VanDerWaalsContact O-CG2 3.27Å; K171-V175 WeakPolarHBondContact O-CG2 3.45Å; K171-V175 PolarHBondContact O-N 2.95Å
172S57.6Low53.4Low51 Ų5194 Ų9436%0.35747%0.467SS..Hα-helixtrans-54.9-42.1176.9-179.80000111.1E168 K176E168-S172 WeakPolarHBondContact O-CB 3.39Å; E168-S172 PolarHBondContact O-N 3.02Å; S172-K176 VanDerWaalsContact O-CG 3.28Å; S172-K176 WeakPolarHBondContact O-CG 3.3Å; S172-K176 PolarHBondContact O-N 3.08Å
173N55.4Low53.2Low55 Ų5594.9 Ų94.929%0.29446%0.462SS..Hα-helixtrans-76.2-37.5-179.8-62.9-37.8000113.9L90 D169 I170 K171 V175 K176 I177L90-N173 HydrophobicContact CD2-CB 3.13Å; L90-N173 HydrophobicContact CG-CB 4.47Å; D169-N173 WeakPolarHBondContact O-CB 3.28Å; D169-N173 PolarHBondContact O-N 3.06Å; D169-N173 PolarHBondContact O-ND2 3.26Å; I170-N173 PolarHBondContact O-N 3.48Å; K171-N173 PolarHBondContact O-N 3.37Å; N173-V175 VanDerWaalsContact C-N 3.34Å; N173-K176 PolarHBondContact O-N 3.21Å; N173-I177 VanDerWaalsContact O-CG1 3.28Å; N173-I177 WeakPolarHBondContact O-CG1 3.45Å; N173-I177 PolarHBondContact O-N 3.48Å
174V54.6Low53.1Low17 Ų1792.8 Ų92.810%0.10346%0.458CS..Hα-helixtrans-62.8-43.7174.3170.80000110.3L153 I170 K171 I177 V178L153-V174 HydrophobicContact CB-CG1 4.39Å; L153-V174 HydrophobicContact CD2-CG2 4.38Å; I170-V174 HydrophobicContact CG2-CG2 4.36Å; I170-V174 VanDerWaalsContact O-CG2 3.31Å; I170-V174 WeakPolarHBondContact O-CG2 3.4Å; I170-V174 PolarHBondContact O-N 2.64Å; K171-V174 PolarHBondContact O-N 2.83Å; V174-I177 PolarHBondContact O-N 3.32Å; V174-V178 HydrophobicContact CG1-CG2 4.38Å; V174-V178 WeakPolarHBondContact O-CG2 3.48Å; V174-V178 PolarHBondContact O-N 3.43Å
175V59.2Low53Low68 Ų6889.9 Ų89.941%0.41244%0.44SS..Hα-helixtrans-59.5-48175.4171.50000110.7K171 N173 I177 V178 E179K171-V175 HydrophobicContact CG-CG2 4.46Å; K171-V175 WeakPolarHBondContact O-CB 3.17Å; K171-V175 VanDerWaalsContact O-CG2 3.27Å; K171-V175 WeakPolarHBondContact O-CG2 3.45Å; K171-V175 PolarHBondContact O-N 2.95Å; N173-V175 VanDerWaalsContact C-N 3.34Å; V175-I177 VanDerWaalsContact C-N 3.32Å; V175-I177 PolarHBondContact O-N 3Å; V175-V178 PolarHBondContact O-N 3.45Å; V175-E179 HydrophobicContact CG1-CG 4.42Å; V175-E179 WeakPolarHBondContact O-CB 3.43Å; V175-E179 WeakPolarHBondContact O-CG 3.36Å; V175-E179 PolarHBondContact O-N 3.25Å
176K55.7Low53.2Low112 Ų11282.2 Ų82.249%0.48742%0.415SS..Hα-helixtrans-58.4-40.6175.6-75.4172.8-173.6174.70112.8S172 N173 E179 M180S172-K176 VanDerWaalsContact O-CG 3.28Å; S172-K176 WeakPolarHBondContact O-CG 3.3Å; S172-K176 PolarHBondContact O-N 3.08Å; N173-K176 PolarHBondContact O-N 3.21Å; K176-E179 PolarHBondContact O-N 3.31Å; K176-M180 WeakPolarHBondContact O-CB 3.36Å; K176-M180 VanDerWaalsContact O-CG 3.22Å; K176-M180 WeakPolarHBondContact O-CG 3.39Å; K176-M180 PolarHBondContact O-N 3.2Å
177I54.4Low53.1Low24 Ų2479.3 Ų79.312%0.12340%0.398CS..Hα-helixtrans-67.6-44.2177.8-67.6162.7000110.6I89 L90 L153 N173 V174 V175 E179 M180 L181I89-I177 HydrophobicContact CG2-CD1 3.99Å; L90-I177 HydrophobicContact CD2-CD1 3.84Å; L90-I177 HydrophobicContact CG-CD1 4.48Å; L153-I177 HydrophobicContact CD1-CB 4.31Å; L153-I177 HydrophobicContact CD1-CG2 3.47Å; L153-I177 VanDerWaalsContact CD1-CG2 3.47Å; N173-I177 VanDerWaalsContact O-CG1 3.28Å; N173-I177 WeakPolarHBondContact O-CG1 3.45Å; N173-I177 PolarHBondContact O-N 3.48Å; V174-I177 PolarHBondContact O-N 3.32Å; V175-I177 VanDerWaalsContact C-N 3.32Å; V175-I177 PolarHBondContact O-N 3Å; I177-E179 VanDerWaalsContact C-N 3.3Å; I177-E179 PolarHBondContact O-N 3.5Å; I177-M180 WeakPolarHBondContact O-CB 3.47Å; I177-M180 PolarHBondContact O-N 3.42Å; I177-L181 HydrophobicContact CG2-CD1 3.9Å; I177-L181 HydrophobicContact CG2-CG 4.21Å; I177-L181 WeakPolarHBondContact O-CB 3.36Å; I177-L181 VanDerWaalsContact O-CG 3.31Å; I177-L181 WeakPolarHBondContact O-CG 3.44Å; I177-L181 PolarHBondContact O-N 3.22Å
178V54.5Low53.4Low26 Ų2682.2 Ų82.216%0.15842%0.422CS..Hα-helixtrans-62.1-40.5176.8171.40000110.5M154 V174 V175 L181 N182M154-V178 HydrophobicContact CE-CG1 4.37Å; V174-V178 HydrophobicContact CG1-CG2 4.38Å; V174-V178 WeakPolarHBondContact O-CG2 3.48Å; V174-V178 PolarHBondContact O-N 3.43Å; V175-V178 PolarHBondContact O-N 3.45Å; V178-L181 PolarHBondContact O-N 3.26Å; V178-N182 WeakPolarHBondContact CG1-ND2 3.49Å; V178-N182 VanDerWaalsContact O-CB 3.22Å; V178-N182 WeakPolarHBondContact O-CB 3.06Å; V178-N182 PolarHBondContact O-N 3.2Å; V178-N182 PolarHBondContact O-ND2 3.08Å; V178-N182 VanDerWaalsContact O-ND2 3.16Å
179E56.2Low53.9Low109 Ų10977 Ų7751%0.50940%0.398SS..Hα-helixtrans-62.2-44.3171.9-74.4176.1172.300112V175 K176 I177 L181 N182 K183V175-E179 HydrophobicContact CG1-CG 4.42Å; V175-E179 WeakPolarHBondContact O-CB 3.43Å; V175-E179 WeakPolarHBondContact O-CG 3.36Å; V175-E179 PolarHBondContact O-N 3.25Å; K176-E179 PolarHBondContact O-N 3.31Å; I177-E179 VanDerWaalsContact C-N 3.3Å; I177-E179 PolarHBondContact O-N 3.5Å; E179-L181 PolarHBondContact O-N 3.12Å; E179-N182 PolarHBondContact O-N 3.38Å; E179-K183 WeakPolarHBondContact O-CG 3.46Å; E179-K183 PolarHBondContact O-N 3.11Å
180M51.7Low54.8Low99 Ų9977.6 Ų77.649%0.48840%0.401SS..Hα-helixtrans-62.4-40.2175.4-75.5177.570.600112.8K176 I177 N182K176-M180 WeakPolarHBondContact O-CB 3.36Å; K176-M180 VanDerWaalsContact O-CG 3.22Å; K176-M180 WeakPolarHBondContact O-CG 3.39Å; K176-M180 PolarHBondContact O-N 3.2Å; I177-M180 WeakPolarHBondContact O-CB 3.47Å; I177-M180 PolarHBondContact O-N 3.42Å; M180-N182 VanDerWaalsContact C-N 3.33Å
181L49.8Very low56.1Low53 Ų5375 Ų7528%0.27739%0.387SS..Hα-helixtrans-72.3-27.4176.5-69.4173.9000112.4D146 K150 L153 I177 V178 E179D146-L181 HydrophobicContact CB-CD2 4.32Å; K150-L181 HydrophobicContact CB-CD1 4.15Å; L153-L181 HydrophobicContact CD1-CD1 4.26Å; I177-L181 HydrophobicContact CG2-CD1 3.9Å; I177-L181 HydrophobicContact CG2-CG 4.21Å; I177-L181 WeakPolarHBondContact O-CB 3.36Å; I177-L181 VanDerWaalsContact O-CG 3.31Å; I177-L181 WeakPolarHBondContact O-CG 3.44Å; I177-L181 PolarHBondContact O-N 3.22Å; V178-L181 PolarHBondContact O-N 3.26Å; E179-L181 PolarHBondContact O-N 3.12Å
182N51.9Low57.4Low85 Ų8574 Ų7446%0.45538%0.38SS..Hα-helixtrans-84.6-21.5177.7-75-23.1000113.5K150 V178 E179 M180K150-N182 VanDerWaalsContact CE-OD1 3.24Å; K150-N182 WeakPolarHBondContact CE-OD1 3.49Å; K150-N182 PolarHBondContact NZ-OD1 2.93Å; V178-N182 WeakPolarHBondContact CG1-ND2 3.49Å; V178-N182 VanDerWaalsContact O-CB 3.22Å; V178-N182 WeakPolarHBondContact O-CB 3.06Å; V178-N182 PolarHBondContact O-N 3.2Å; V178-N182 PolarHBondContact O-ND2 3.08Å; V178-N182 VanDerWaalsContact O-ND2 3.16Å; E179-N182 PolarHBondContact O-N 3.38Å; M180-N182 VanDerWaalsContact C-N 3.33Å
183K50.6Low58.7Low126 Ų12676.2 Ų76.255%0.54839%0.386SS..SBendtrans-60.3128.8170.5-79.3179.9-178.9-176.60107.8E179 R185E179-K183 WeakPolarHBondContact O-CG 3.46Å; E179-K183 PolarHBondContact O-N 3.11Å; K183-R185 PolarHBondContact O-N 2.98Å; K183-R185 VanDerWaalsContact O-N 3.11Å
184P45.9Very low60.3Low85 Ų8573.8 Ų73.855%0.55237%0.373SS*.PPolyproline II helixtrans-53127.6171.2-11.518.9000107I186 F223P184-I186 PolarHBondContact O-N 3.48Å; P184-F223 HydrophobicContact CB-CE2 4.16Å; P184-F223 HydrophobicContact CB-CZ 3.7Å; P184-F223 HydrophobicContact CG-CE2 4.05Å; P184-F223 HydrophobicContact CG-CZ 3.59Å; P184-F223 WeakPolarHBondContact O-CZ 3.48Å
185R51.3Low62Low101 Ų10179.1 Ų79.138%0.38140%0.395SS..PPolyproline II helixtrans-58.9116.4175.5-80.9-174.6166.1158-0.2106.8S142 D146 K183 I187 S188S142-R185 PolarHBondContact OG-NH1 3.45Å; D146-R185 IonicContact OD1-NH2 2.64Å; D146-R185 PolarHBondContact OD1-NH2 3.3Å; D146-R185 IonicContact OD2-CZ 2.75Å; D146-R185 IonicContact OD2-NH1 3.13Å; D146-R185 PolarHBondContact OD2-NH1 3.25Å; D146-R185 IonicContact OD2-NH2 3.26Å; D146-R185 PolarHBondContact OD2-NH2 3.5Å; K183-R185 PolarHBondContact O-N 2.98Å; K183-R185 VanDerWaalsContact O-N 3.11Å; R185-I187 HydrophobicContact CB-CB 4.46Å; R185-I187 PolarHBondContact O-N 3.22Å; R185-S188 PolarHBondContact O-N 3.32Å; R185-S188 PolarHBondContact O-OG 2.95Å
186I51.4Low63.5Low57 Ų5778.7 Ų78.729%0.29239%0.394SS..G310 helixtrans-46.2-31.4170.6-75.5172.2000109.5P184 S188 F223 R259 F261P184-I186 PolarHBondContact O-N 3.48Å; I186-S188 VanDerWaalsContact C-N 3.33Å; I186-S188 PolarHBondContact O-N 2.9Å; I186-F223 HydrophobicContact CD1-CD1 4.1Å; I186-F223 HydrophobicContact CD1-CE1 4.32Å; I186-F223 HydrophobicContact CG1-CD1 3.87Å; I186-F223 HydrophobicContact CG1-CE1 3.78Å; I186-F223 HydrophobicContact CG1-CG 4.45Å; I186-F223 HydrophobicContact CG1-CZ 4.3Å; I186-R259 PolarHBondContact O-NE 3.02Å; I186-R259 PolarHBondContact O-NH1 3.12Å; I186-R259 PolarHBondContact O-NH2 3.29Å; I186-F261 HydrophobicContact CG2-CE1 3.78Å; I186-F261 HydrophobicContact CG2-CZ 3.67Å
187I49.8Very low65.2Low86 Ų8679.1 Ų79.144%0.44140%0.401SS..G310 helixtrans-59.6-25.4-179.9-51.1177.5000115.8R185 R259R185-I187 HydrophobicContact CB-CB 4.46Å; R185-I187 PolarHBondContact O-N 3.22Å; I187-R259 PolarHBondContact O-NH1 3.45Å; I187-R259 PolarHBondContact O-NH2 3.47Å
188S54.9Low67Low97 Ų9780.3 Ų80.368%0.67841%0.406SS*.G310 helixtrans-94.68.8-169.174.70000116.2R185 I186R185-S188 PolarHBondContact O-N 3.32Å; R185-S188 PolarHBondContact O-OG 2.95Å; I186-S188 VanDerWaalsContact C-N 3.33Å; I186-S188 PolarHBondContact O-N 2.9Å
189M64.7Low68.8Low51 Ų5179.8 Ų79.825%0.25140%0.403SS..PPolyproline II helixtrans-95.3119.1178.6-68.4-173.974.200111.6F220 R259 F261M189-F220 HydrophobicContact CE-CD1 4.3Å; M189-F220 HydrophobicContact CE-CE1 3.33Å; M189-F220 HydrophobicContact CE-CZ 3.59Å; M189-F220 HydrophobicContact SD-CE1 4.19Å; M189-R259 PolarHBondContact O-NH2 3.18Å; M189-F261 HydrophobicContact CB-CD1 4.43Å; M189-F261 HydrophobicContact SD-CD1 4.32Å; M189-F261 HydrophobicContact SD-CE1 4.45Å
190D71.3Confident70.6Confident139 Ų13980.6 Ų80.674%0.74340%0.404SS*.PPolyproline II helixtrans-58.9135.2173.5-74.7-37000111.8R192D190-R192 PolarHBondContact O-N 2.76Å; D190-R192 VanDerWaalsContact O-N 3.16Å
191I80.8Confident72.6Confident8 Ų881.8 Ų81.84%0.04141%0.413CS..PPolyproline II helixtrans-65.9116.9172.3-44.4-171000109.1V246 M249 K250 M260 F261I191-V246 HydrophobicContact CB-CG1 4.37Å; I191-V246 HydrophobicContact CG2-CG1 3.88Å; I191-V246 HydrophobicContact CG2-CG2 4.21Å; I191-M249 HydrophobicContact CD1-CB 3.87Å; I191-K250 HydrophobicContact CB-CD 4.47Å; I191-K250 HydrophobicContact CB-CG 3.98Å; I191-K250 HydrophobicContact CD1-CB 4.43Å; I191-K250 HydrophobicContact CD1-CG 3.66Å; I191-K250 HydrophobicContact CG1-CG 3.9Å; I191-K250 WeakPolarHBondContact O-CE 3.3Å; I191-K250 PolarHBondContact O-NZ 3.25Å; I191-M260 HydrophobicContact CD1-CB 4.18Å; I191-M260 HydrophobicContact CD1-CG 4.5Å; I191-M260 WeakPolarHBondContact CD1-O 3.5Å; I191-M260 WeakPolarHBondContact CG1-O 3.32Å; I191-M260 HydrophobicContact CG2-CE 4.11Å; I191-M260 HydrophobicContact CG2-CG 4.05Å; I191-M260 HydrophobicContact CG2-SD 4.08Å; I191-F261 WeakPolarHBondContact CA-O 3.15Å
192R84.4Confident74.7Confident105 Ų10581.5 Ų81.540%0.39641%0.413SS..EExtended strand (participates in β ladder)trans-140.8177-174.267.9169.9175.3103.3-7.5113.8D190 I194 E198 F261 G262 I263D190-R192 PolarHBondContact O-N 2.76Å; D190-R192 VanDerWaalsContact O-N 3.16Å; R192-I194 PolarHBondContact O-N 3.02Å; R192-E198 IonicContact CZ-OE1 2.88Å; R192-E198 IonicContact CZ-OE2 3.1Å; R192-E198 IonicContact NH1-OE1 3.22Å; R192-E198 PolarHBondContact NH1-OE1 2.64Å; R192-E198 IonicContact NH1-OE2 2.97Å; R192-E198 PolarHBondContact NH1-OE2 3.06Å; R192-E198 IonicContact NH2-OE1 3.59Å; R192-E198 IonicContact NH2-OE2 3.13Å; R192-E198 PolarHBondContact NH2-OE2 3.48Å; R192-F261 PolarHBondContact N-O 3.15Å; R192-G262 CarbonylContact O-C 3.53Å; R192-G262 WeakPolarHBondContact O-CA 3.31Å; R192-I263 PolarHBondContact O-N 2.84Å
193M84.6Confident76.7Confident97 Ų9781.9 Ų81.948%0.47841%0.412SS..EExtended strand (participates in β ladder)trans-72.9122.8163.4-63.2-59.2-62.700109.3I263 I265M193-I263 CarbonylContact C-O 3.55Å; M193-I263 WeakPolarHBondContact CA-O 3.38Å; M193-I263 HydrophobicContact CE-CB 4.4Å; M193-I263 HydrophobicContact CE-CG2 4.3Å; M193-I263 HydrophobicContact SD-CB 3.98Å; M193-I263 HydrophobicContact SD-CG2 4.41Å; M193-I265 HydrophobicContact CE-CD1 3.74Å; M193-I265 HydrophobicContact CE-CG1 3.87Å
194I89Confident78.5Confident4 Ų485.1 Ų85.12%0.02143%0.429CS..PPolyproline II helixtrans-99.6129.6177.6-63.7170.8000107.3R192 E198 L199 F220 F261 I263 C264 I278R192-I194 PolarHBondContact O-N 3.02Å; I194-E198 HydrophobicContact CG2-CB 3.96Å; I194-L199 HydrophobicContact CG2-CD2 4.11Å; I194-L199 HydrophobicContact CG2-CG 4.2Å; I194-F220 HydrophobicContact CB-CE2 4.45Å; I194-F220 HydrophobicContact CD1-CD1 4.23Å; I194-F220 HydrophobicContact CD1-CD2 4.4Å; I194-F220 HydrophobicContact CD1-CE1 3.78Å; I194-F220 HydrophobicContact CD1-CE2 4Å; I194-F220 HydrophobicContact CD1-CZ 3.66Å; I194-F220 HydrophobicContact CG1-CE1 4.4Å; I194-F220 HydrophobicContact CG1-CE2 4.01Å; I194-F220 HydrophobicContact CG1-CZ 3.79Å; I194-F220 HydrophobicContact CG2-CD2 3.99Å; I194-F220 HydrophobicContact CG2-CE2 3.62Å; I194-F220 HydrophobicContact CG2-CZ 4.29Å; I194-F261 HydrophobicContact CD1-CB 4.19Å; I194-I263 PolarHBondContact N-O 3.4Å; I194-C264 HydrophobicContact CB-CB 4.36Å; I194-C264 WeakPolarHBondContact O-CA 3.01Å; I194-C264 WeakPolarHBondContact O-CB 3.46Å; I194-I278 HydrophobicContact CD1-CB 3.8Å; I194-I278 HydrophobicContact CD1-CD1 4.42Å; I194-I278 HydrophobicContact CD1-CG1 3.85Å; I194-I278 HydrophobicContact CD1-CG2 4.08Å
195K89.9Confident80.7Confident129 Ų12989.2 Ų89.256%0.56144%0.438SS*.PPolyproline II helixtrans-78148.9176.9-55.6177.9179.6177.10110.4D197 E198K195-D197 WeakPolarHBondContact CB-OD1 3.32Å; K195-D197 PolarHBondContact O-N 2.88Å; K195-D197 VanDerWaalsContact O-N 3.16Å; K195-E198 HydrophobicContact CB-CG 4.13Å; K195-E198 PolarHBondContact N-OE1 3.42Å; K195-E198 WeakPolarHBondContact O-CB 3.44Å; K195-E198 PolarHBondContact O-N 3.16Å
196P90.7Very high82.7Confident60 Ų6085.6 Ų85.639%0.3943%0.429SS..G310 helixtrans-55.7-33.6-178-27.434.6000114.9E198 L199 R266P196-E198 VanDerWaalsContact C-N 3.26Å; P196-E198 PolarHBondContact O-N 3.16Å; P196-L199 PolarHBondContact O-N 2.95Å; P196-R266 HydrophobicContact CB-CG 4.18Å; P196-R266 HydrophobicContact CG-CG 4.05Å
197D91.5Very high84.5Confident121 Ų12187.5 Ų87.565%0.64744%0.435SS*.G310 helixtrans-71.9-15.9179.456.7-49.5000113.9K195 L199K195-D197 WeakPolarHBondContact CB-OD1 3.32Å; K195-D197 PolarHBondContact O-N 2.88Å; K195-D197 VanDerWaalsContact O-N 3.16Å; D197-L199 VanDerWaalsContact C-N 3.33Å
198E91.9Very high86.1Confident49 Ų4987.6 Ų87.623%0.22944%0.435CS..G310 helixtrans-80.8-16.4175-57.3-175.6-102.500112.6R192 I194 K195 P196 F220R192-E198 IonicContact CZ-OE1 2.88Å; R192-E198 IonicContact CZ-OE2 3.1Å; R192-E198 IonicContact NH1-OE1 3.22Å; R192-E198 PolarHBondContact NH1-OE1 2.64Å; R192-E198 IonicContact NH1-OE2 2.97Å; R192-E198 PolarHBondContact NH1-OE2 3.06Å; R192-E198 IonicContact NH2-OE1 3.59Å; R192-E198 IonicContact NH2-OE2 3.13Å; R192-E198 PolarHBondContact NH2-OE2 3.48Å; I194-E198 HydrophobicContact CG2-CB 3.96Å; K195-E198 HydrophobicContact CB-CG 4.13Å; K195-E198 PolarHBondContact N-OE1 3.42Å; K195-E198 WeakPolarHBondContact O-CB 3.44Å; K195-E198 PolarHBondContact O-N 3.16Å; P196-E198 VanDerWaalsContact C-N 3.26Å; P196-E198 PolarHBondContact O-N 3.16Å; E198-F220 HydrophobicContact CB-CD2 4.17Å; E198-F220 HydrophobicContact CB-CE2 3.96Å
199L93.4Very high87.5Confident15 Ų1587.1 Ų87.18%0.07943%0.428CS..EExtended strand (participates in β ladder)trans-89.6118.5175.7-61178.4000109.8I194 P196 D197 V202 F220 I227 C264 L276 I278I194-L199 HydrophobicContact CG2-CD2 4.11Å; I194-L199 HydrophobicContact CG2-CG 4.2Å; P196-L199 PolarHBondContact O-N 2.95Å; D197-L199 VanDerWaalsContact C-N 3.33Å; L199-V202 HydrophobicContact CB-CG2 4.11Å; L199-F220 HydrophobicContact CD2-CB 4.02Å; L199-F220 HydrophobicContact CD2-CD2 4.15Å; L199-F220 HydrophobicContact CD2-CG 4.33Å; L199-I227 HydrophobicContact CD1-CD1 4.35Å; L199-I227 HydrophobicContact CD2-CD1 4.44Å; L199-C264 HydrophobicContact CD1-CB 4.04Å; L199-L276 HydrophobicContact CD1-CD1 4.25Å; L199-I278 HydrophobicContact CD1-CD1 4.45Å; L199-I278 HydrophobicContact CD1-CG1 4.28Å; L199-I278 HydrophobicContact CD2-CG1 3.88Å; L199-I278 HydrophobicContact CD2-CG2 4.41Å
200K92.9Very high87.9Confident125 Ų12587.1 Ų87.154%0.54343%0.431SS..EExtended strand (participates in β ladder)trans-114.4162.9-178.4-61.1-178.4-177.1178.20110.4V202 E219K200-V202 PolarHBondContact O-N 3.2Å; K200-E219 HydrophobicContact CB-CB 4.25Å; K200-E219 PolarHBondContact N-O 2.94Å; K200-E219 PolarHBondContact O-N 3.43Å
201N92.9Very high88Confident125 Ų12582.9 Ų82.967%0.66841%0.411SS*.SBendtrans48.735.3170.4-60.2-32000113.8E203 E219N201-E203 PolarHBondContact O-N 2.91Å; N201-E219 HydrophobicContact CB-CB 4.25Å; N201-E219 PolarHBondContact ND2-OE2 3.07Å
202V94.1Very high87.6Confident46 Ų4682.9 Ų82.928%0.27941%0.411SS..  trans-71.7118.7179.5-176.50000108.1L199 K200 K217 I227L199-V202 HydrophobicContact CB-CG2 4.11Å; K200-V202 PolarHBondContact O-N 3.2Å; V202-K217 WeakPolarHBondContact CA-O 3.37Å; V202-I227 HydrophobicContact CB-CD1 4.35Å; V202-I227 HydrophobicContact CG1-CD1 3.94Å; V202-I227 HydrophobicContact CG2-CD1 3.59Å
203E93.8Very high87.5Confident93 Ų9378 Ų7844%0.43539%0.393SS..  trans-62.7140.5178.6-67.4-176.8-178.500110.6N201 K205 Y216 K217N201-E203 PolarHBondContact O-N 2.91Å; E203-K205 VanDerWaalsContact C-N 3.3Å; E203-K205 PolarHBondContact O-N 2.83Å; E203-Y216 WeakPolarHBondContact O-CD1 3.5Å; E203-K217 HydrophobicContact CG-CB 4.19Å; E203-K217 PolarHBondContact N-O 3.02Å; E203-K217 WeakPolarHBondContact OE1-CD 3.41Å
204E89.4Confident87.7Confident194 Ų19475.8 Ų75.891%0.90738%0.382SS*.SBendtrans-69.7-30.2-179.5-65.6-176.9172.400112.6
205K92Very high87.8Confident171 Ų17176.2 Ų76.274%0.74338%0.384SS*.SBendtrans-100130.2-176.3-171.5177.9176.8-177.90110.1E203E203-K205 VanDerWaalsContact C-N 3.3Å; E203-K205 PolarHBondContact O-N 2.83Å
206S92.6Very high88.1Confident26 Ų2671.8 Ų71.818%0.18236%0.364CS..  trans-66.8137.5169.563.60000110.4T209 V215S206-T209 PolarHBondContact OG-OG1 2.79Å; S206-V215 CarbonylContact C-O 3.57Å; S206-V215 VanDerWaalsContact CA-O 3.27Å; S206-V215 WeakPolarHBondContact CA-O 3.49Å; S206-V215 WeakPolarHBondContact CB-O 3.47Å
207F88.8Confident88.3Confident96 Ų9671.9 Ų71.942%0.42136%0.358SS..SBendtrans-89.3-13.2172.667.2-101.8000112V215 Y216 K217 A226 Y281F207-V215 WeakPolarHBondContact CD1-O 3.25Å; F207-V215 HydrophobicContact CE1-CB 4.36Å; F207-V215 HydrophobicContact CE1-CG1 3.86Å; F207-V215 HydrophobicContact CE2-CB 4.24Å; F207-V215 HydrophobicContact CE2-CG1 4.07Å; F207-V215 HydrophobicContact CZ-CB 3.98Å; F207-V215 HydrophobicContact CZ-CG1 3.4Å; F207-V215 VanDerWaalsContact CZ-CG1 3.4Å; F207-V215 PolarHBondContact N-O 3.29Å; F207-Y216 VanDerWaalsContact CE1-C 3.43Å; F207-K217 HydrophobicContact CD1-CB 4.08Å; F207-K217 HydrophobicContact CE1-CB 4.08Å; F207-A226 HydrophobicContact CZ-CB 4.46Å; F207-Y281 HydrophobicContact CE1-CD2 4.47Å; F207-Y281 AromaticContact CE1-CE2 3.96Å; F207-Y281 HydrophobicContact CE1-CE2 3.96Å; F207-Y281 HydrophobicContact CZ-CD2 4.4Å; F207-Y281 AromaticContact CZ-CE2 3.95Å; F207-Y281 HydrophobicContact CZ-CE2 3.95Å
208M84.3Confident88.5Confident88 Ų8866.4 Ų66.443%0.43333%0.331SS..EExtended strand (participates in β ladder)trans-144.8136.2174.9179.9-177.1-69.100109.8E214 V215M208-E214 CarbonylContact O-C 3.53Å; M208-E214 WeakPolarHBondContact O-CA 3.2Å; M208-V215 HydrophobicContact CB-CB 4.09Å; M208-V215 HydrophobicContact CB-CG2 4.14Å; M208-V215 HydrophobicContact CG-CG2 4.36Å; M208-V215 PolarHBondContact N-O 2.84Å; M208-V215 PolarHBondContact O-N 2.81Å; M208-V215 HydrophobicContact SD-CG2 4.21Å
209T83.5Confident88.5Confident88 Ų8866.7 Ų66.754%0.5433%0.332SS..EExtended strand (participates in β ladder)trans-132.6130.1174.7-61.90000109.2S206 E214S206-T209 PolarHBondContact OG-OG1 2.79Å; T209-E214 HydrophobicContact CG2-CG 4Å
210T74.9Confident88.4Confident50 Ų5066.2 Ų66.231%0.30733%0.329SS..EExtended strand (participates in β ladder)trans-117.7168.9173.5780000109.3T212 S213T210-T212 PolarHBondContact O-N 2.96Å; T210-T212 PolarHBondContact OG1-N 2.8Å; T210-T212 PolarHBondContact OG1-OG1 2.97Å; T210-S213 PolarHBondContact N-O 2.79Å; T210-S213 PolarHBondContact O-N 3.26Å; T210-S213 VanDerWaalsContact O-O 3.13Å; T210-S213 PolarHBondContact OG1-N 3.46Å; T210-S213 VanDerWaalsContact OG1-N 3.09Å; T210-S213 PolarHBondContact OG1-O 3.15Å; T210-S213 PolarHBondContact OG1-OG 3.12Å
211P73.1Confident87.9Confident50 Ų5063 Ų6333%0.32533%0.332SS..THydrogen-bonded Turntrans-58.3-16.5176.4-26.736.2000115.2
212T72.1Confident87.2Confident9 Ų959.8 Ų59.86%0.05533%0.328CS..THydrogen-bonded Turntrans-123.6-4.8-173.853.60000113.7T210 T231 K357T210-T212 PolarHBondContact O-N 2.96Å; T210-T212 PolarHBondContact OG1-N 2.8Å; T210-T212 PolarHBondContact OG1-OG1 2.97Å; T212-T231 PolarHBondContact O-N 3.31Å; T212-T231 PolarHBondContact O-OG1 3.13Å; T212-K357 HydrophobicContact CG2-CD 4.41Å; T212-K357 HydrophobicContact CG2-CG 3.67Å
213S81.4Confident86.6Confident1 Ų159.3 Ų59.31%0.00732%0.323CS..EExtended strand (participates in β ladder)trans-161.7159.3-175.662.80000114T210 K228 K229 T231T210-S213 PolarHBondContact N-O 2.79Å; T210-S213 PolarHBondContact O-N 3.26Å; T210-S213 VanDerWaalsContact O-O 3.13Å; T210-S213 PolarHBondContact OG1-N 3.46Å; T210-S213 VanDerWaalsContact OG1-N 3.09Å; T210-S213 PolarHBondContact OG1-O 3.15Å; T210-S213 PolarHBondContact OG1-OG 3.12Å; S213-K228 VanDerWaalsContact CB-CE 3.47Å; S213-K228 VanDerWaalsContact OG-CE 3.27Å; S213-K228 WeakPolarHBondContact OG-CE 3.42Å; S213-K229 CarbonylContact C-O 3.4Å; S213-K229 WeakPolarHBondContact CA-O 3.47Å; S213-K229 VanDerWaalsContact CB-O 3.3Å; S213-K229 WeakPolarHBondContact CB-O 3.47Å; S213-T231 PolarHBondContact N-OG1 2.82Å
214E89.7Confident86.5Confident52 Ų5258.2 Ų58.224%0.24332%0.322CS..EExtended strand (participates in β ladder)trans-124.8139.2170.3-66172.8153.900108.4M208 T209 Y216 K228 K229 T231M208-E214 CarbonylContact O-C 3.53Å; M208-E214 WeakPolarHBondContact O-CA 3.2Å; T209-E214 HydrophobicContact CG2-CG 4Å; E214-Y216 HydrophobicContact CB-CD2 4.4Å; E214-Y216 HydrophobicContact CB-CE2 3.52Å; E214-Y216 PolarHBondContact OE2-OH 2.74Å; E214-K228 CarbonylContact O-C 3.5Å; E214-K228 WeakPolarHBondContact O-CA 3.47Å; E214-K229 PolarHBondContact N-O 2.96Å; E214-K229 PolarHBondContact O-N 3.11Å; E214-T231 HydrophobicContact CG-CG2 4.25Å
215V90.8Very high86.7Confident13 Ų1349 Ų498%0.07928%0.279CS..EExtended strand (participates in β ladder)trans-116.3125.1-180-163.20000109.6S206 F207 M208 A226 I227 K228S206-V215 CarbonylContact C-O 3.57Å; S206-V215 VanDerWaalsContact CA-O 3.27Å; S206-V215 WeakPolarHBondContact CA-O 3.49Å; S206-V215 WeakPolarHBondContact CB-O 3.47Å; F207-V215 WeakPolarHBondContact CD1-O 3.25Å; F207-V215 HydrophobicContact CE1-CB 4.36Å; F207-V215 HydrophobicContact CE1-CG1 3.86Å; F207-V215 HydrophobicContact CE2-CB 4.24Å; F207-V215 HydrophobicContact CE2-CG1 4.07Å; F207-V215 HydrophobicContact CZ-CB 3.98Å; F207-V215 HydrophobicContact CZ-CG1 3.4Å; F207-V215 VanDerWaalsContact CZ-CG1 3.4Å; F207-V215 PolarHBondContact N-O 3.29Å; M208-V215 HydrophobicContact CB-CB 4.09Å; M208-V215 HydrophobicContact CB-CG2 4.14Å; M208-V215 HydrophobicContact CG-CG2 4.36Å; M208-V215 PolarHBondContact N-O 2.84Å; M208-V215 PolarHBondContact O-N 2.81Å; M208-V215 HydrophobicContact SD-CG2 4.21Å; V215-A226 HydrophobicContact CG1-CB 4.14Å; V215-I227 WeakPolarHBondContact CA-O 3.46Å; V215-K228 HydrophobicContact CG2-CB 4.35Å; V215-K228 HydrophobicContact CG2-CG 4.27Å
216Y95.4Very high86.8Confident36 Ų3641.2 Ų41.214%0.14125%0.247CC..EExtended strand (participates in β ladder)trans-113.2153.4-178.7-59-95.9000109.7E203 F207 E214 I227 K229E203-Y216 WeakPolarHBondContact O-CD1 3.5Å; F207-Y216 VanDerWaalsContact CE1-C 3.43Å; E214-Y216 HydrophobicContact CB-CD2 4.4Å; E214-Y216 HydrophobicContact CB-CE2 3.52Å; E214-Y216 PolarHBondContact OE2-OH 2.74Å; Y216-I227 PolarHBondContact N-O 2.88Å; Y216-I227 PolarHBondContact O-N 2.82Å; Y216-K229 HydrophobicContact CD2-CB 4.33Å; Y216-K229 HydrophobicContact CE2-CB 3.94Å; Y216-K229 HydrophobicContact CE2-CD 4.09Å
217K96Very high86.8Confident61 Ų6140.1 Ų40.127%0.26524%0.239SC..EExtended strand (participates in β ladder)trans-94.6142.6170.2-173175.6175.9-170.10108.8V202 E203 F207 T224 Y281V202-K217 WeakPolarHBondContact CA-O 3.37Å; E203-K217 HydrophobicContact CG-CB 4.19Å; E203-K217 PolarHBondContact N-O 3.02Å; E203-K217 WeakPolarHBondContact OE1-CD 3.41Å; F207-K217 HydrophobicContact CD1-CB 4.08Å; F207-K217 HydrophobicContact CE1-CB 4.08Å; K217-T224 HydrophobicContact CD-CG2 4.26Å; K217-T224 HydrophobicContact CG-CG2 3.98Å; K217-Y281 HydrophobicContact CD-CE1 4.32Å; K217-Y281 HydrophobicContact CD-CE2 4.06Å; K217-Y281 HydrophobicContact CG-CD2 4.34Å; K217-Y281 HydrophobicContact CG-CE2 4.16Å
218G95.1Very high86.9Confident6 Ų636.6 Ų36.66%0.06222%0.224CC..EExtended strand (participates in β ladder)trans-159.6-165.8176.400000112.1T224 V225G218-T224 WeakPolarHBondContact O-CA 3.28Å; G218-V225 PolarHBondContact N-O 3.39Å; G218-V225 PolarHBondContact O-N 3.16Å
219E93.3Very high87.1Confident55 Ų5534.7 Ų34.726%0.25721%0.213SC..EExtended strand (participates in β ladder)trans-128.4135.9179.6-169.3-171.6139.100111K200 N201 G222 F223K200-E219 HydrophobicContact CB-CB 4.25Å; K200-E219 PolarHBondContact N-O 2.94Å; K200-E219 PolarHBondContact O-N 3.43Å; N201-E219 HydrophobicContact CB-CB 4.25Å; N201-E219 PolarHBondContact ND2-OE2 3.07Å; E219-G222 WeakPolarHBondContact OE1-CA 3.34Å; E219-F223 CarbonylContact C-O 3.57Å; E219-F223 VanDerWaalsContact CA-O 3.26Å; E219-F223 WeakPolarHBondContact CA-O 3.35Å
220F89.6Confident87Confident5 Ų531 Ų312%0.02219%0.189CC..EExtended strand (participates in β ladder)trans-140.1124.2174174.1-116.4000109.3M189 I194 E198 L199 G222 F223 V225 F261 I278M189-F220 HydrophobicContact CE-CD1 4.3Å; M189-F220 HydrophobicContact CE-CE1 3.33Å; M189-F220 HydrophobicContact CE-CZ 3.59Å; M189-F220 HydrophobicContact SD-CE1 4.19Å; I194-F220 HydrophobicContact CB-CE2 4.45Å; I194-F220 HydrophobicContact CD1-CD1 4.23Å; I194-F220 HydrophobicContact CD1-CD2 4.4Å; I194-F220 HydrophobicContact CD1-CE1 3.78Å; I194-F220 HydrophobicContact CD1-CE2 4Å; I194-F220 HydrophobicContact CD1-CZ 3.66Å; I194-F220 HydrophobicContact CG1-CE1 4.4Å; I194-F220 HydrophobicContact CG1-CE2 4.01Å; I194-F220 HydrophobicContact CG1-CZ 3.79Å; I194-F220 HydrophobicContact CG2-CD2 3.99Å; I194-F220 HydrophobicContact CG2-CE2 3.62Å; I194-F220 HydrophobicContact CG2-CZ 4.29Å; E198-F220 HydrophobicContact CB-CD2 4.17Å; E198-F220 HydrophobicContact CB-CE2 3.96Å; L199-F220 HydrophobicContact CD2-CB 4.02Å; L199-F220 HydrophobicContact CD2-CD2 4.15Å; L199-F220 HydrophobicContact CD2-CG 4.33Å; F220-G222 PolarHBondContact O-N 3.2Å; F220-F223 PolarHBondContact N-O 2.83Å; F220-F223 PolarHBondContact O-N 3Å; F220-V225 HydrophobicContact CB-CG1 3.83Å; F220-V225 HydrophobicContact CB-CG2 3.91Å; F220-F261 HydrophobicContact CD1-CB 4.11Å; F220-F261 HydrophobicContact CD1-CG 4.21Å; F220-F261 HydrophobicContact CE1-CB 3.94Å; F220-F261 HydrophobicContact CE1-CG 4.33Å; F220-I278 HydrophobicContact CB-CG2 4.41Å; F220-I278 HydrophobicContact CD1-CG2 4.41Å
221G82.3Confident87.1Confident58 Ų5831 Ų3160%0.59819%0.19SC*.THydrogen-bonded Turntrans60.127.1-179.700000114.7F223G221-F223 VanDerWaalsContact C-N 3.3Å; G221-F223 WeakPolarHBondContact O-CD2 3.42Å
222G79.8Confident86.8Confident58 Ų5832.6 Ų32.660%0.59821%0.214SC*.THydrogen-bonded Turntrans83.4-1.1-175.200000114.7E219 F220E219-G222 WeakPolarHBondContact OE1-CA 3.34Å; F220-G222 PolarHBondContact O-N 3.2Å
223F81.9Confident86.2Confident35 Ų3532.9 Ų32.915%0.15422%0.218CC..EExtended strand (participates in β ladder)trans-102142177.8-62.6-82.4000111.2P184 I186 E219 F220 G221 V225P184-F223 HydrophobicContact CB-CE2 4.16Å; P184-F223 HydrophobicContact CB-CZ 3.7Å; P184-F223 HydrophobicContact CG-CE2 4.05Å; P184-F223 HydrophobicContact CG-CZ 3.59Å; P184-F223 WeakPolarHBondContact O-CZ 3.48Å; I186-F223 HydrophobicContact CD1-CD1 4.1Å; I186-F223 HydrophobicContact CD1-CE1 4.32Å; I186-F223 HydrophobicContact CG1-CD1 3.87Å; I186-F223 HydrophobicContact CG1-CE1 3.78Å; I186-F223 HydrophobicContact CG1-CG 4.45Å; I186-F223 HydrophobicContact CG1-CZ 4.3Å; E219-F223 CarbonylContact C-O 3.57Å; E219-F223 VanDerWaalsContact CA-O 3.26Å; E219-F223 WeakPolarHBondContact CA-O 3.35Å; F220-F223 PolarHBondContact N-O 2.83Å; F220-F223 PolarHBondContact O-N 3Å; G221-F223 VanDerWaalsContact C-N 3.3Å; G221-F223 WeakPolarHBondContact O-CD2 3.42Å; F223-V225 PolarHBondContact O-N 3.06Å
224T90.5Very high85.2Confident70 Ų7040.2 Ų40.243%0.42925%0.25SC..EExtended strand (participates in β ladder)trans-66.8130.5166.9-560000109.9K217 G218 Y281K217-T224 HydrophobicContact CD-CG2 4.26Å; K217-T224 HydrophobicContact CG-CG2 3.98Å; G218-T224 WeakPolarHBondContact O-CA 3.28Å; T224-Y281 HydrophobicContact CG2-CD1 3.73Å; T224-Y281 HydrophobicContact CG2-CE1 4.42Å; T224-Y281 HydrophobicContact CG2-CG 3.82Å
225V93.6Very high83.8Confident0 Ų040.9 Ų40.90%026%0.258CS..EExtended strand (participates in β ladder)trans-131.1153.3-176.5-64.80000112.1G218 F220 F223 I227 F261 I278 M279G218-V225 PolarHBondContact N-O 3.39Å; G218-V225 PolarHBondContact O-N 3.16Å; F220-V225 HydrophobicContact CB-CG1 3.83Å; F220-V225 HydrophobicContact CB-CG2 3.91Å; F223-V225 PolarHBondContact O-N 3.06Å; V225-I227 HydrophobicContact CG2-CD1 4.35Å; V225-I227 HydrophobicContact CG2-CG1 4.05Å; V225-F261 HydrophobicContact CG1-CD2 3.86Å; V225-F261 HydrophobicContact CG1-CE2 3.61Å; V225-I278 HydrophobicContact CB-CG2 3.98Å; V225-I278 HydrophobicContact CG1-CG2 4.15Å; V225-I278 HydrophobicContact CG2-CG2 4.01Å; V225-M279 WeakPolarHBondContact CA-O 3.4Å; V225-M279 VanDerWaalsContact CB-O 3.32Å; V225-M279 WeakPolarHBondContact CB-O 3.49Å
226A94Very high82.3Confident9 Ų943.5 Ų43.57%0.07429%0.288CS..EExtended strand (participates in β ladder)trans-92.3129.7166.100000109.3F207 V215 I278 M279 Y281F207-A226 HydrophobicContact CZ-CB 4.46Å; V215-A226 HydrophobicContact CG1-CB 4.14Å; A226-I278 WeakPolarHBondContact O-CA 3.37Å; A226-M279 PolarHBondContact N-O 3.21Å; A226-M279 PolarHBondContact O-N 3.4Å; A226-Y281 HydrophobicContact CB-CD2 4.29Å
227I93.9Very high80.6Confident2 Ų245.8 Ų45.81%0.0130%0.301CS..EExtended strand (participates in β ladder)trans-115.3101.3-178.7-56.2169.4000107.5L199 V202 V215 Y216 V225 L276L199-I227 HydrophobicContact CD1-CD1 4.35Å; L199-I227 HydrophobicContact CD2-CD1 4.44Å; V202-I227 HydrophobicContact CB-CD1 4.35Å; V202-I227 HydrophobicContact CG1-CD1 3.94Å; V202-I227 HydrophobicContact CG2-CD1 3.59Å; V215-I227 WeakPolarHBondContact CA-O 3.46Å; Y216-I227 PolarHBondContact N-O 2.88Å; Y216-I227 PolarHBondContact O-N 2.82Å; V225-I227 HydrophobicContact CG2-CD1 4.35Å; V225-I227 HydrophobicContact CG2-CG1 4.05Å; I227-L276 HydrophobicContact CG2-CB 4.05Å; I227-L276 HydrophobicContact CG2-CD1 4.18Å; I227-L276 HydrophobicContact CG2-CD2 4.17Å; I227-L276 HydrophobicContact CG2-CG 4.37Å
228K89.4Confident78.8Confident23 Ų2342.9 Ų42.910%0.129%0.289CS..EExtended strand (participates in β ladder)trans-88.7111.1177.7179.2171.3174.9171.70110S213 E214 V215 Y230 L276 V277 M279 E348S213-K228 VanDerWaalsContact CB-CE 3.47Å; S213-K228 VanDerWaalsContact OG-CE 3.27Å; S213-K228 WeakPolarHBondContact OG-CE 3.42Å; E214-K228 CarbonylContact O-C 3.5Å; E214-K228 WeakPolarHBondContact O-CA 3.47Å; V215-K228 HydrophobicContact CG2-CB 4.35Å; V215-K228 HydrophobicContact CG2-CG 4.27Å; K228-Y230 HydrophobicContact CD-CE2 4.44Å; K228-Y230 HydrophobicContact CG-CE2 4.39Å; K228-L276 CarbonylContact O-C 3.53Å; K228-L276 VanDerWaalsContact O-CA 3.3Å; K228-L276 WeakPolarHBondContact O-CA 3.49Å; K228-V277 HydrophobicContact CB-CB 4.43Å; K228-V277 PolarHBondContact N-O 2.62Å; K228-V277 PolarHBondContact O-N 3.4Å; K228-M279 HydrophobicContact CB-CE 3.72Å; K228-M279 HydrophobicContact CD-CE 4.34Å; K228-E348 IonicContact NZ-OE1 3.25Å; K228-E348 PolarHBondContact NZ-OE1 3.47Å; K228-E348 IonicContact NZ-OE2 2.76Å; K228-E348 PolarHBondContact NZ-OE2 3.27Å
229K88.1Confident77.4Confident47 Ų4747.7 Ų47.720%0.20431%0.308CS..EExtended strand (participates in β ladder)trans-92123.2173.5-178.5-179.5-176.7174.10109.9S213 E214 Y216 E274 F275 L276S213-K229 CarbonylContact C-O 3.4Å; S213-K229 WeakPolarHBondContact CA-O 3.47Å; S213-K229 VanDerWaalsContact CB-O 3.3Å; S213-K229 WeakPolarHBondContact CB-O 3.47Å; E214-K229 PolarHBondContact N-O 2.96Å; E214-K229 PolarHBondContact O-N 3.11Å; Y216-K229 HydrophobicContact CD2-CB 4.33Å; Y216-K229 HydrophobicContact CE2-CB 3.94Å; Y216-K229 HydrophobicContact CE2-CD 4.09Å; K229-E274 VanDerWaalsContact CE-OE1 3.23Å; K229-E274 WeakPolarHBondContact CE-OE1 3.35Å; K229-E274 IonicContact NZ-OE1 3.6Å; K229-E274 PolarHBondContact NZ-OE1 3.45Å; K229-E274 IonicContact NZ-OE2 3.73Å; K229-F275 WeakPolarHBondContact CA-O 3.48Å; K229-L276 HydrophobicContact CB-CD2 3.54Å; K229-L276 HydrophobicContact CD-CD2 4.35Å; K229-L276 HydrophobicContact CG-CD2 3.71Å
230Y81.4Confident76.1Confident10 Ų1048.1 Ų48.14%0.03932%0.317CS..EExtended strand (participates in β ladder)trans-82.8141174-73.9-93.6000111.5K228 F242 E245 F275 V277 E348 L356K228-Y230 HydrophobicContact CD-CE2 4.44Å; K228-Y230 HydrophobicContact CG-CE2 4.39Å; Y230-F242 HydrophobicContact CD2-CE1 4.03Å; Y230-F242 HydrophobicContact CD2-CE2 4.05Å; Y230-F242 AromaticContact CD2-CZ 3.26Å; Y230-F242 HydrophobicContact CD2-CZ 3.26Å; Y230-F242 HydrophobicContact CE2-CE1 4Å; Y230-F242 HydrophobicContact CE2-CE2 4.08Å; Y230-F242 AromaticContact CE2-CZ 3.44Å; Y230-F242 HydrophobicContact CE2-CZ 3.44Å; Y230-F242 VanDerWaalsContact CE2-CZ 3.44Å; Y230-F242 HydrophobicContact CG-CE2 4.42Å; Y230-F242 AromaticContact CG-CZ 3.95Å; Y230-F242 HydrophobicContact CG-CZ 3.95Å; Y230-E245 PolarHBondContact OH-OE1 2.86Å; Y230-E245 PolarHBondContact OH-OE2 3.25Å; Y230-F275 PolarHBondContact N-O 2.91Å; Y230-V277 HydrophobicContact CE2-CG2 3.79Å; Y230-E348 WeakPolarHBondContact OH-CG 3.35Å; Y230-E348 PolarHBondContact OH-OE1 3.35Å; Y230-E348 PolarHBondContact OH-OE2 3.48Å; Y230-L356 HydrophobicContact CD1-CD1 3.76Å; Y230-L356 HydrophobicContact CE1-CD1 4.07Å
231T78.1Confident74.7Confident52 Ų5248.9 Ų48.932%0.31932%0.322SS..  trans-109.2146.8179.758.90000111.1T212 S213 E214 A233T212-T231 PolarHBondContact O-N 3.31Å; T212-T231 PolarHBondContact O-OG1 3.13Å; S213-T231 PolarHBondContact N-OG1 2.82Å; E214-T231 HydrophobicContact CG-CG2 4.25Å; T231-A233 PolarHBondContact O-N 3.05Å
232G66.4Low74Confident82 Ų8246.3 Ų46.385%0.84529%0.294SS*.SBendtrans72.319.3172.300000116.5
233A59.9Low73.5Confident16 Ų1648 Ų4813%0.13229%0.289CS..  trans-92.7132-168.200000113.1T231 V238 L356T231-A233 PolarHBondContact O-N 3.05Å; A233-V238 HydrophobicContact CB-CG2 3.31Å; A233-L356 HydrophobicContact CB-CD2 3.61Å
234K61Low72.9Confident155 Ų15552.4 Ų52.467%0.67431%0.308SS*.  trans-79124.8177-74-172.1179.4-177.50111.5G236 M237 V238K234-G236 VanDerWaalsContact C-N 3.31Å; K234-G236 PolarHBondContact O-N 3.33Å; K234-M237 PolarHBondContact O-N 3.36Å; K234-V238 VanDerWaalsContact O-CG2 3.24Å; K234-V238 WeakPolarHBondContact O-CG2 3.35Å; K234-V238 PolarHBondContact O-N 2.95Å
235P59.3Low71.8Confident65 Ų6549.6 Ų49.642%0.42229%0.291SS..Hα-helixtrans-47.7-43.2-168.3-30.834.7000116V238 P273P235-V238 PolarHBondContact O-N 2.99Å; P235-P273 HydrophobicContact CB-CG 3.86Å; P235-P273 HydrophobicContact CG-CG 3.69Å
236G60Low70.8Confident68 Ų6850.7 Ų50.770%0.70130%0.297SS*.Hα-helixtrans-72.1-31.1-177.500000115.7K234K234-G236 VanDerWaalsContact C-N 3.31Å; K234-G236 PolarHBondContact O-N 3.33Å
237M58.2Low69.8Low85 Ų8556.8 Ų56.842%0.41932%0.324SS..Hα-helixtrans-76.1-33.5175.6-79.6-152.9-66.300111.3K234 S240 V241 S355K234-M237 PolarHBondContact O-N 3.36Å; M237-S240 PolarHBondContact O-N 3.03Å; M237-S240 PolarHBondContact O-OG 3.41Å; M237-V241 VanDerWaalsContact O-CG2 3.26Å; M237-V241 WeakPolarHBondContact O-CG2 3.45Å; M237-V241 PolarHBondContact O-N 2.96Å; M237-S355 WeakPolarHBondContact CE-O 3.4Å
238V59.3Low68.8Low0 Ų057.4 Ų57.40%033%0.328CS..Hα-helixtrans-67-48.2-169.2-174.70000111.8A233 K234 P235 S240 V241 F242 F275 L356A233-V238 HydrophobicContact CB-CG2 3.31Å; K234-V238 VanDerWaalsContact O-CG2 3.24Å; K234-V238 WeakPolarHBondContact O-CG2 3.35Å; K234-V238 PolarHBondContact O-N 2.95Å; P235-V238 PolarHBondContact O-N 2.99Å; V238-S240 VanDerWaalsContact C-N 3.3Å; V238-S240 PolarHBondContact O-N 3.37Å; V238-V241 PolarHBondContact O-N 3.42Å; V238-F242 HydrophobicContact CB-CD2 4.42Å; V238-F242 HydrophobicContact CB-CE2 4.41Å; V238-F242 HydrophobicContact CG1-CD2 3.33Å; V238-F242 HydrophobicContact CG1-CE2 3.1Å; V238-F242 HydrophobicContact CG1-CG 4.15Å; V238-F242 HydrophobicContact CG1-CZ 3.7Å; V238-F242 VanDerWaalsContact O-CB 3.28Å; V238-F242 WeakPolarHBondContact O-CB 3.35Å; V238-F242 WeakPolarHBondContact O-CD2 3.45Å; V238-F242 WeakPolarHBondContact O-CG 3.45Å; V238-F242 PolarHBondContact O-N 3.18Å; V238-F275 HydrophobicContact CB-CD1 4.14Å; V238-F275 HydrophobicContact CB-CD2 4.03Å; V238-F275 HydrophobicContact CB-CE1 3.85Å; V238-F275 HydrophobicContact CB-CE2 3.7Å; V238-F275 HydrophobicContact CB-CG 4.22Å; V238-F275 HydrophobicContact CB-CZ 3.61Å; V238-F275 HydrophobicContact CG1-CB 3.88Å; V238-F275 HydrophobicContact CG1-CD1 3.33Å; V238-F275 HydrophobicContact CG1-CD2 3.45Å; V238-F275 VanDerWaalsContact CG1-CD2 3.45Å; V238-F275 HydrophobicContact CG1-CE1 3.56Å; V238-F275 HydrophobicContact CG1-CE2 3.65Å; V238-F275 HydrophobicContact CG1-CG 3.27Å; V238-F275 HydrophobicContact CG1-CZ 3.71Å; V238-F275 HydrophobicContact CG2-CD2 4.17Å; V238-F275 HydrophobicContact CG2-CE2 3.88Å; V238-F275 HydrophobicContact CG2-CZ 4.26Å; V238-L356 HydrophobicContact CG2-CD2 4.25Å
239K65.3Low68.1Low107 Ų10757.1 Ų57.147%0.46533%0.327SS..Hα-helixtrans-57.7-41-179.7-162.1164.5-172.5158.70113N243 E268K239-N243 VanDerWaalsContact O-CG 3.26Å; K239-N243 PolarHBondContact O-N 2.9Å; K239-N243 PolarHBondContact O-ND2 3.33Å; K239-E268 IonicContact NZ-OE1 2.78Å; K239-E268 PolarHBondContact NZ-OE1 2.85Å; K239-E268 VanDerWaalsContact NZ-OE1 3.1Å
240S65.2Low67.4Low64 Ų6460.1 Ų60.145%0.44834%0.34SS..Hα-helixtrans-70.5-37.9179.574.60000113.4M237 V238 K244M237-S240 PolarHBondContact O-N 3.03Å; M237-S240 PolarHBondContact O-OG 3.41Å; V238-S240 VanDerWaalsContact C-N 3.3Å; V238-S240 PolarHBondContact O-N 3.37Å; S240-K244 PolarHBondContact O-N 3.13Å
241V61.7Low67.2Low21 Ų2163.5 Ų63.513%0.12735%0.353CS..Hα-helixtrans-70.2-40.3178169.10000110.1M237 V238 K244 E245 T352M237-V241 VanDerWaalsContact O-CG2 3.26Å; M237-V241 WeakPolarHBondContact O-CG2 3.45Å; M237-V241 PolarHBondContact O-N 2.96Å; V238-V241 PolarHBondContact O-N 3.42Å; V241-K244 WeakPolarHBondContact O-CB 3.3Å; V241-K244 PolarHBondContact O-N 2.7Å; V241-E245 PolarHBondContact O-N 3.43Å; V241-T352 HydrophobicContact CG1-CG2 3.14Å; V241-T352 WeakPolarHBondContact CG1-OG1 3.44Å
242F67.6Low67.2Low4 Ų461.1 Ų61.12%0.01834%0.338CS..Hα-helixtrans-68.7-39.2178.9-86-119.1000112.9Y230 V238 K244 E245 V246 I263 F275 V277Y230-F242 HydrophobicContact CD2-CE1 4.03Å; Y230-F242 HydrophobicContact CD2-CE2 4.05Å; Y230-F242 AromaticContact CD2-CZ 3.26Å; Y230-F242 HydrophobicContact CD2-CZ 3.26Å; Y230-F242 HydrophobicContact CE2-CE1 4Å; Y230-F242 HydrophobicContact CE2-CE2 4.08Å; Y230-F242 AromaticContact CE2-CZ 3.44Å; Y230-F242 HydrophobicContact CE2-CZ 3.44Å; Y230-F242 VanDerWaalsContact CE2-CZ 3.44Å; Y230-F242 HydrophobicContact CG-CE2 4.42Å; Y230-F242 AromaticContact CG-CZ 3.95Å; Y230-F242 HydrophobicContact CG-CZ 3.95Å; V238-F242 HydrophobicContact CB-CD2 4.42Å; V238-F242 HydrophobicContact CB-CE2 4.41Å; V238-F242 HydrophobicContact CG1-CD2 3.33Å; V238-F242 HydrophobicContact CG1-CE2 3.1Å; V238-F242 HydrophobicContact CG1-CG 4.15Å; V238-F242 HydrophobicContact CG1-CZ 3.7Å; V238-F242 VanDerWaalsContact O-CB 3.28Å; V238-F242 WeakPolarHBondContact O-CB 3.35Å; V238-F242 WeakPolarHBondContact O-CD2 3.45Å; V238-F242 WeakPolarHBondContact O-CG 3.45Å; V238-F242 PolarHBondContact O-N 3.18Å; F242-K244 VanDerWaalsContact C-N 3.29Å; F242-K244 PolarHBondContact O-N 3.25Å; F242-E245 WeakPolarHBondContact O-CB 3.11Å; F242-E245 PolarHBondContact O-N 2.74Å; F242-E245 VanDerWaalsContact O-N 3.12Å; F242-V246 PolarHBondContact O-N 3.41Å; F242-I263 HydrophobicContact CB-CD1 3.82Å; F242-I263 HydrophobicContact CD1-CD1 3.81Å; F242-I263 HydrophobicContact CD1-CG1 4.11Å; F242-I263 HydrophobicContact CD1-CG2 3.88Å; F242-I263 HydrophobicContact CE1-CG2 4.26Å; F242-I263 HydrophobicContact CG-CD1 4.34Å; F242-F275 HydrophobicContact CE1-CB 3.72Å; F242-F275 HydrophobicContact CE2-CB 4.33Å; F242-F275 HydrophobicContact CZ-CB 3.47Å; F242-F275 VanDerWaalsContact CZ-CB 3.47Å; F242-F275 HydrophobicContact CZ-CG 4.29Å; F242-V277 HydrophobicContact CD1-CG2 4.09Å; F242-V277 HydrophobicContact CE1-CG2 3.62Å; F242-V277 HydrophobicContact CZ-CG2 4.42Å
243N69.7Low67.7Low93 Ų9360.4 Ų60.450%0.49731%0.313SS..Hα-helixtrans-61-40174.4-75.7-16000111.7K239 E245 V246 E247K239-N243 VanDerWaalsContact O-CG 3.26Å; K239-N243 PolarHBondContact O-N 2.9Å; K239-N243 PolarHBondContact O-ND2 3.33Å; N243-E245 VanDerWaalsContact C-N 3.3Å; N243-E245 PolarHBondContact O-N 2.9Å; N243-V246 PolarHBondContact O-N 3.21Å; N243-E247 WeakPolarHBondContact O-CB 3.41Å; N243-E247 PolarHBondContact O-N 2.85Å
244K67.4Low68.8Low127 Ų12761 Ų6155%0.55232%0.316SS*.Hα-helixtrans-66-34174.2-71.1179178.8179.90112.5S240 V241 F242 T248S240-K244 PolarHBondContact O-N 3.13Å; V241-K244 WeakPolarHBondContact O-CB 3.3Å; V241-K244 PolarHBondContact O-N 2.7Å; F242-K244 VanDerWaalsContact C-N 3.29Å; F242-K244 PolarHBondContact O-N 3.25Å; K244-T248 WeakPolarHBondContact O-CB 3.45Å; K244-T248 PolarHBondContact O-N 3.16Å; K244-T248 PolarHBondContact O-OG1 3.28Å
245E68.9Low70Confident12 Ų1254.7 Ų54.76%0.05629%0.291CS..Hα-helixtrans-67.1-47.8175.7-162.8170155.500110.7Y230 V241 F242 N243 E247 T248 M249 E348Y230-E245 PolarHBondContact OH-OE1 2.86Å; Y230-E245 PolarHBondContact OH-OE2 3.25Å; V241-E245 PolarHBondContact O-N 3.43Å; F242-E245 WeakPolarHBondContact O-CB 3.11Å; F242-E245 PolarHBondContact O-N 2.74Å; F242-E245 VanDerWaalsContact O-N 3.12Å; N243-E245 VanDerWaalsContact C-N 3.3Å; N243-E245 PolarHBondContact O-N 2.9Å; E245-E247 PolarHBondContact O-N 3.11Å; E245-T248 WeakPolarHBondContact O-CA 3.49Å; E245-T248 VanDerWaalsContact O-CB 3.32Å; E245-T248 WeakPolarHBondContact O-CB 3.23Å; E245-T248 PolarHBondContact O-N 3.47Å; E245-T248 VanDerWaalsContact O-N 3.12Å; E245-M249 VanDerWaalsContact O-CG 3.31Å; E245-M249 WeakPolarHBondContact O-CG 3.34Å; E245-M249 PolarHBondContact O-N 3.1Å; E245-E348 WeakPolarHBondContact OE1-CG 3.27Å
246V72Confident71.5Confident23 Ų2352 Ų5214%0.13927%0.273CS..Hα-helixtrans-56.6-47.9173.5169.50000111.7I191 F242 N243 T248 M249 K250 M260 I263I191-V246 HydrophobicContact CB-CG1 4.37Å; I191-V246 HydrophobicContact CG2-CG1 3.88Å; I191-V246 HydrophobicContact CG2-CG2 4.21Å; F242-V246 PolarHBondContact O-N 3.41Å; N243-V246 PolarHBondContact O-N 3.21Å; V246-T248 PolarHBondContact O-N 3.12Å; V246-M249 PolarHBondContact O-N 3.07Å; V246-K250 HydrophobicContact CG1-CD 4.11Å; V246-K250 HydrophobicContact CG1-CG 4.23Å; V246-K250 WeakPolarHBondContact O-CB 3.43Å; V246-K250 WeakPolarHBondContact O-CG 3.28Å; V246-K250 PolarHBondContact O-N 3.49Å; V246-M260 HydrophobicContact CG2-CE 3.5Å; V246-M260 HydrophobicContact CG2-SD 4.17Å; V246-I263 HydrophobicContact CG2-CD1 3.32Å; V246-I263 HydrophobicContact CG2-CG1 3.89Å
247E73Confident72.9Confident137 Ų13748.9 Ų48.964%0.6424%0.24SC*.Hα-helixtrans-58.6-40.7178.2-173.7-179.2-176.300111.4N243 E245 R251N243-E247 WeakPolarHBondContact O-CB 3.41Å; N243-E247 PolarHBondContact O-N 2.85Å; E245-E247 PolarHBondContact O-N 3.11Å; E247-R251 VanDerWaalsContact O-CB 3.29Å; E247-R251 WeakPolarHBondContact O-CB 3.28Å; E247-R251 PolarHBondContact O-N 2.94Å; E247-R251 VanDerWaalsContact O-N 3.12Å
248T72.9Confident74.4Confident14 Ų1445.2 Ų45.29%0.08622%0.222CC..Hα-helixtrans-63.2-50.7174.6-57.70000111.3K244 E245 V246 K250 R251 F252 K324K244-T248 WeakPolarHBondContact O-CB 3.45Å; K244-T248 PolarHBondContact O-N 3.16Å; K244-T248 PolarHBondContact O-OG1 3.28Å; E245-T248 WeakPolarHBondContact O-CA 3.49Å; E245-T248 VanDerWaalsContact O-CB 3.32Å; E245-T248 WeakPolarHBondContact O-CB 3.23Å; E245-T248 PolarHBondContact O-N 3.47Å; E245-T248 VanDerWaalsContact O-N 3.12Å; V246-T248 PolarHBondContact O-N 3.12Å; T248-K250 PolarHBondContact O-N 3.07Å; T248-R251 PolarHBondContact O-N 3.4Å; T248-R251 VanDerWaalsContact O-N 3.16Å; T248-F252 HydrophobicContact CG2-CD2 3.78Å; T248-F252 HydrophobicContact CG2-CE2 4.01Å; T248-F252 WeakPolarHBondContact O-CD2 3.4Å; T248-F252 PolarHBondContact O-N 3.45Å; T248-F252 VanDerWaalsContact O-N 3.11Å; T248-K324 HydrophobicContact CG2-CD 3.93Å; T248-K324 PolarHBondContact OG1-NZ 3.5Å
249M75Confident75.7Confident17 Ų1746 Ų468%0.08423%0.225CC..Hα-helixtrans-65.2-40.4-176.3-64.3-55.2-72.300111.9I191 E245 V246 R251 F252 E253 I257 L258 M260 L347I191-M249 HydrophobicContact CD1-CB 3.87Å; E245-M249 VanDerWaalsContact O-CG 3.31Å; E245-M249 WeakPolarHBondContact O-CG 3.34Å; E245-M249 PolarHBondContact O-N 3.1Å; V246-M249 PolarHBondContact O-N 3.07Å; M249-R251 VanDerWaalsContact C-N 3.28Å; M249-R251 PolarHBondContact O-N 3.3Å; M249-F252 PolarHBondContact O-N 3.34Å; M249-E253 PolarHBondContact O-N 3.12Å; M249-I257 HydrophobicContact CE-CG2 4.41Å; M249-L258 WeakPolarHBondContact CE-O 3.39Å; M249-M260 HydrophobicContact CB-CB 4.09Å; M249-M260 HydrophobicContact CB-SD 4.06Å; M249-M260 HydrophobicContact CE-CB 4.04Å; M249-M260 HydrophobicContact CG-CB 4.13Å; M249-M260 HydrophobicContact CG-SD 3.82Å; M249-L347 HydrophobicContact CE-CD1 4.39Å; M249-L347 HydrophobicContact SD-CB 3.89Å; M249-L347 HydrophobicContact SD-CD1 3.76Å; M249-L347 HydrophobicContact SD-CG 4.24Å
250K74.1Confident76.7Confident110 Ų11041.1 Ų41.148%0.47820%0.204SC..Hα-helixtrans-58.2-42.8172.9-75.5-171176.8-171.50111.4I191 V246 T248I191-K250 HydrophobicContact CB-CD 4.47Å; I191-K250 HydrophobicContact CB-CG 3.98Å; I191-K250 HydrophobicContact CD1-CB 4.43Å; I191-K250 HydrophobicContact CD1-CG 3.66Å; I191-K250 HydrophobicContact CG1-CG 3.9Å; I191-K250 WeakPolarHBondContact O-CE 3.3Å; I191-K250 PolarHBondContact O-NZ 3.25Å; V246-K250 HydrophobicContact CG1-CD 4.11Å; V246-K250 HydrophobicContact CG1-CG 4.23Å; V246-K250 WeakPolarHBondContact O-CB 3.43Å; V246-K250 WeakPolarHBondContact O-CG 3.28Å; V246-K250 PolarHBondContact O-N 3.49Å; T248-K250 PolarHBondContact O-N 3.07Å
251R75.4Confident77.7Confident82 Ų8238.2 Ų38.231%0.30918%0.183SC..Hα-helixtrans-69.9-33.7-175.9178.1173.5163.3-173.1-16.2113.4E247 T248 M249 R315 E320E247-R251 VanDerWaalsContact O-CB 3.29Å; E247-R251 WeakPolarHBondContact O-CB 3.28Å; E247-R251 PolarHBondContact O-N 2.94Å; E247-R251 VanDerWaalsContact O-N 3.12Å; T248-R251 PolarHBondContact O-N 3.4Å; T248-R251 VanDerWaalsContact O-N 3.16Å; M249-R251 VanDerWaalsContact C-N 3.28Å; M249-R251 PolarHBondContact O-N 3.3Å; R251-R315 PolarHBondContact O-NH2 3.07Å; R251-E320 IonicContact CZ-OE1 2.82Å; R251-E320 IonicContact CZ-OE2 2.6Å; R251-E320 VanDerWaalsContact NE-CD 3.3Å; R251-E320 IonicContact NE-OE1 2.68Å; R251-E320 PolarHBondContact NE-OE1 3.45Å; R251-E320 IonicContact NE-OE2 3.83Å; R251-E320 PolarHBondContact NE-OE2 3.49Å; R251-E320 IonicContact NH1-OE1 3.75Å; R251-E320 IonicContact NH1-OE2 2.96Å; R251-E320 PolarHBondContact NH1-OE2 3.35Å; R251-E320 VanDerWaalsContact NH2-CB 3.26Å; R251-E320 IonicContact NH2-OE1 2.77Å; R251-E320 PolarHBondContact NH2-OE1 3.35Å; R251-E320 IonicContact NH2-OE2 3.75Å; R251-E320 PolarHBondContact NH2-OE2 2.85Å
252F78.4Confident78.8Confident2 Ų237.2 Ų37.21%0.00918%0.177CC..THydrogen-bonded Turntrans-105.116.7-175-62.7-68.8000113.9T248 M249 S254 I257 R315 L316 K324T248-F252 HydrophobicContact CG2-CD2 3.78Å; T248-F252 HydrophobicContact CG2-CE2 4.01Å; T248-F252 WeakPolarHBondContact O-CD2 3.4Å; T248-F252 PolarHBondContact O-N 3.45Å; T248-F252 VanDerWaalsContact O-N 3.11Å; M249-F252 PolarHBondContact O-N 3.34Å; F252-S254 PolarHBondContact O-N 3.03Å; F252-I257 WeakPolarHBondContact O-CB 3.5Å; F252-I257 VanDerWaalsContact O-CG1 3.28Å; F252-I257 WeakPolarHBondContact O-CG1 3.48Å; F252-R315 HydrophobicContact CB-CG 4.42Å; F252-R315 VanDerWaalsContact CD1-O 3.32Å; F252-R315 WeakPolarHBondContact CD1-O 3.47Å; F252-L316 HydrophobicContact CB-CD2 4.09Å; F252-L316 HydrophobicContact CD1-CD2 3.92Å; F252-L316 HydrophobicContact CD2-CD2 3.98Å; F252-L316 HydrophobicContact CE1-CD2 4.36Å; F252-L316 HydrophobicContact CE2-CD2 4.46Å; F252-L316 HydrophobicContact CG-CD2 3.72Å; F252-K324 HydrophobicContact CE2-CB 4.16Å; F252-K324 HydrophobicContact CE2-CD 3.75Å; F252-K324 HydrophobicContact CZ-CB 3.87Å; F252-K324 HydrophobicContact CZ-CD 4.3Å
253E77.9Confident79.7Confident67 Ų6737.3 Ų37.331%0.31318%0.178SC..  trans-54127.3178.3-160.6171.7153.400111.1M249 R259 R315M249-E253 PolarHBondContact O-N 3.12Å; E253-R259 IonicContact OE1-CZ 3.66Å; E253-R259 IonicContact OE1-NH1 2.86Å; E253-R259 PolarHBondContact OE1-NH1 3.49Å; E253-R259 IonicContact OE1-NH2 3.53Å; E253-R259 PolarHBondContact OE1-NH2 2.99Å; E253-R315 PolarHBondContact O-NE 3.35Å
254S83.1Confident80.5Confident29 Ų2932.9 Ų32.920%0.20315%0.154CC..  trans-166.4151.2-174.7167.70000109.5F252 N256 I257F252-S254 PolarHBondContact O-N 3.03Å; S254-N256 PolarHBondContact O-N 2.88Å; S254-N256 VanDerWaalsContact O-N 3.1Å; S254-N256 PolarHBondContact OG-N 3.48Å; S254-I257 PolarHBondContact O-N 2.98Å
255P84.6Confident81.4Confident22 Ų2227.8 Ų27.814%0.14313%0.133CC..THydrogen-bonded Turntrans-51.7-30.3173.2-27.835000115D97 K343D97-P255 HydrophobicContact CB-CB 4.47Å; D97-P255 HydrophobicContact CB-CG 4.05Å; D97-P255 VanDerWaalsContact CG-CG 3.48Å; D97-P255 WeakPolarHBondContact OD1-CG 2.98Å; P255-K343 WeakPolarHBondContact O-CG 3.48Å; P255-K343 PolarHBondContact O-NZ 3.43Å
256N92.4Very high82.2Confident7 Ų730.7 Ų30.74%0.03714%0.143CC..THydrogen-bonded Turntrans-103.711.3-178.6-54.8103.1000113.5S254 D308 Q311 G312 V342 K343 L344S254-N256 PolarHBondContact O-N 2.88Å; S254-N256 VanDerWaalsContact O-N 3.1Å; S254-N256 PolarHBondContact OG-N 3.48Å; N256-D308 WeakPolarHBondContact CB-O 3.27Å; N256-D308 WeakPolarHBondContact ND2-CA 3.48Å; N256-D308 VanDerWaalsContact ND2-CB 3.28Å; N256-D308 WeakPolarHBondContact ND2-CB 3.22Å; N256-D308 VanDerWaalsContact ND2-CG 3.29Å; N256-D308 PolarHBondContact ND2-OD1 3.03Å; N256-Q311 HydrophobicContact CB-CB 4.06Å; N256-Q311 WeakPolarHBondContact OD1-CB 3.4Å; N256-Q311 PolarHBondContact OD1-OE1 3.43Å; N256-G312 WeakPolarHBondContact O-CA 2.89Å; N256-V342 PolarHBondContact ND2-O 3.33Å; N256-V342 VanDerWaalsContact ND2-O 3.12Å; N256-K343 CarbonylContact O-C 3.6Å; N256-K343 WeakPolarHBondContact O-CA 3.4Å; N256-L344 PolarHBondContact O-N 3.4Å
257I89Confident82.7Confident3 Ų335 Ų352%0.01516%0.162CC..BIsolated β-bridgetrans-110.1137.7165.7-65.8-57.1000107.3M249 F252 S254 R259 G312 R315 L316 L344 L347M249-I257 HydrophobicContact CE-CG2 4.41Å; F252-I257 WeakPolarHBondContact O-CB 3.5Å; F252-I257 VanDerWaalsContact O-CG1 3.28Å; F252-I257 WeakPolarHBondContact O-CG1 3.48Å; S254-I257 PolarHBondContact O-N 2.98Å; I257-R259 PolarHBondContact O-N 3.41Å; I257-G312 VanDerWaalsContact CD1-O 3.28Å; I257-G312 WeakPolarHBondContact CD1-O 3.35Å; I257-R315 HydrophobicContact CD1-CB 4.31Å; I257-R315 HydrophobicContact CG1-CB 4.06Å; I257-R315 HydrophobicContact CG1-CG 3.92Å; I257-L316 HydrophobicContact CD1-CD2 4.45Å; I257-L316 HydrophobicContact CD1-CG 4.36Å; I257-L344 HydrophobicContact CD1-CB 3.85Å; I257-L344 HydrophobicContact CD1-CD2 4.16Å; I257-L344 HydrophobicContact CD1-CG 4.31Å; I257-L347 HydrophobicContact CD1-CD1 4.39Å; I257-L347 HydrophobicContact CG2-CD1 3.54Å
258L89.6Confident82.8Confident8 Ų833.3 Ų33.34%0.04215%0.154CC..PPolyproline II helixtrans-60.1122.9178.7-174.667.4000110M249 M279 E280 L335 L344M249-L258 WeakPolarHBondContact CE-O 3.39Å; L258-M279 HydrophobicContact CD2-CB 4.47Å; L258-M279 HydrophobicContact CD2-SD 3.73Å; L258-E280 HydrophobicContact CD1-CG 3.54Å; L258-E280 HydrophobicContact CG-CG 4.41Å; L258-L335 HydrophobicContact CD1-CD1 3.79Å; L258-L335 HydrophobicContact CD2-CD1 3.69Å; L258-L335 HydrophobicContact CG-CD1 4.36Å; L258-L344 PolarHBondContact N-O 3.21Å
259R86.5Confident82.9Confident16 Ų1640.6 Ų40.66%0.0619%0.193CC..PPolyproline II helixtrans-72.1133.8-179.8-175.6-176.4-16883.8-1.8111.5I186 I187 M189 E253 I257 F261 M279 E280I186-R259 PolarHBondContact O-NE 3.02Å; I186-R259 PolarHBondContact O-NH1 3.12Å; I186-R259 PolarHBondContact O-NH2 3.29Å; I187-R259 PolarHBondContact O-NH1 3.45Å; I187-R259 PolarHBondContact O-NH2 3.47Å; M189-R259 PolarHBondContact O-NH2 3.18Å; E253-R259 IonicContact OE1-CZ 3.66Å; E253-R259 IonicContact OE1-NH1 2.86Å; E253-R259 PolarHBondContact OE1-NH1 3.49Å; E253-R259 IonicContact OE1-NH2 3.53Å; E253-R259 PolarHBondContact OE1-NH2 2.99Å; I257-R259 PolarHBondContact O-N 3.41Å; R259-F261 HydrophobicContact CG-CE1 4.49Å; R259-M279 CarbonylContact O-C 3.51Å; R259-M279 WeakPolarHBondContact O-CA 3.46Å; R259-M279 WeakPolarHBondContact O-CB 3.28Å; R259-E280 HydrophobicContact CB-CB 4.21Å; R259-E280 HydrophobicContact CB-CG 3.96Å; R259-E280 WeakPolarHBondContact CB-OE1 3.47Å; R259-E280 PolarHBondContact N-OE1 2.92Å; R259-E280 PolarHBondContact O-N 3.23Å
260M86.6Confident83Confident5 Ų542.9 Ų42.93%0.02521%0.208CC..EExtended strand (participates in β ladder)trans-101.8132.2162.6177-177.7-179.700109.8I191 V246 M249 G262 I263 V277I191-M260 HydrophobicContact CD1-CB 4.18Å; I191-M260 HydrophobicContact CD1-CG 4.5Å; I191-M260 WeakPolarHBondContact CD1-O 3.5Å; I191-M260 WeakPolarHBondContact CG1-O 3.32Å; I191-M260 HydrophobicContact CG2-CE 4.11Å; I191-M260 HydrophobicContact CG2-CG 4.05Å; I191-M260 HydrophobicContact CG2-SD 4.08Å; V246-M260 HydrophobicContact CG2-CE 3.5Å; V246-M260 HydrophobicContact CG2-SD 4.17Å; M249-M260 HydrophobicContact CB-CB 4.09Å; M249-M260 HydrophobicContact CB-SD 4.06Å; M249-M260 HydrophobicContact CE-CB 4.04Å; M249-M260 HydrophobicContact CG-CB 4.13Å; M249-M260 HydrophobicContact CG-SD 3.82Å; M260-G262 WeakPolarHBondContact CE-O 3.32Å; M260-I263 HydrophobicContact CE-CD1 4.07Å; M260-I263 HydrophobicContact CE-CG1 3.3Å; M260-V277 HydrophobicContact CE-CG1 4.02Å; M260-V277 HydrophobicContact CE-CG2 4.47Å; M260-V277 HydrophobicContact CG-CG1 4.18Å; M260-V277 HydrophobicContact SD-CG1 4.21Å
261F86.2Confident83Confident3 Ų343.5 Ų43.51%0.01323%0.226CC..EExtended strand (participates in β ladder)trans-91.2-31.2174-65.8-69.5000112.5I186 M189 I191 R192 I194 F220 V225 R259 I278 E280I186-F261 HydrophobicContact CG2-CE1 3.78Å; I186-F261 HydrophobicContact CG2-CZ 3.67Å; M189-F261 HydrophobicContact CB-CD1 4.43Å; M189-F261 HydrophobicContact SD-CD1 4.32Å; M189-F261 HydrophobicContact SD-CE1 4.45Å; I191-F261 WeakPolarHBondContact CA-O 3.15Å; R192-F261 PolarHBondContact N-O 3.15Å; I194-F261 HydrophobicContact CD1-CB 4.19Å; F220-F261 HydrophobicContact CD1-CB 4.11Å; F220-F261 HydrophobicContact CD1-CG 4.21Å; F220-F261 HydrophobicContact CE1-CB 3.94Å; F220-F261 HydrophobicContact CE1-CG 4.33Å; V225-F261 HydrophobicContact CG1-CD2 3.86Å; V225-F261 HydrophobicContact CG1-CE2 3.61Å; R259-F261 HydrophobicContact CG-CE1 4.49Å; F261-I278 HydrophobicContact CB-CB 4.46Å; F261-I278 HydrophobicContact CB-CG2 4.11Å; F261-I278 HydrophobicContact CD2-CG2 4.08Å; F261-I278 PolarHBondContact N-O 2.82Å; F261-E280 HydrophobicContact CE2-CB 4.12Å; F261-E280 HydrophobicContact CZ-CB 4.37Å
262G84.9Confident83Confident0 Ų044.9 Ų44.90%024%0.239CC..EExtended strand (participates in β ladder)trans165.1-175.1-176.800000114.5R192 M260 I278R192-G262 CarbonylContact O-C 3.53Å; R192-G262 WeakPolarHBondContact O-CA 3.31Å; M260-G262 WeakPolarHBondContact CE-O 3.32Å; G262-I278 PolarHBondContact N-O 3.32Å; G262-I278 PolarHBondContact O-N 2.96Å
263I85.6Confident83.1Confident7 Ų745.4 Ų45.44%0.03624%0.243CC..EExtended strand (participates in β ladder)trans-115.6136.9176.1-57.3167.5000108.2R192 M193 I194 F242 V246 M260 I265 L276R192-I263 PolarHBondContact O-N 2.84Å; M193-I263 CarbonylContact C-O 3.55Å; M193-I263 WeakPolarHBondContact CA-O 3.38Å; M193-I263 HydrophobicContact CE-CB 4.4Å; M193-I263 HydrophobicContact CE-CG2 4.3Å; M193-I263 HydrophobicContact SD-CB 3.98Å; M193-I263 HydrophobicContact SD-CG2 4.41Å; I194-I263 PolarHBondContact N-O 3.4Å; F242-I263 HydrophobicContact CB-CD1 3.82Å; F242-I263 HydrophobicContact CD1-CD1 3.81Å; F242-I263 HydrophobicContact CD1-CG1 4.11Å; F242-I263 HydrophobicContact CD1-CG2 3.88Å; F242-I263 HydrophobicContact CE1-CG2 4.26Å; F242-I263 HydrophobicContact CG-CD1 4.34Å; V246-I263 HydrophobicContact CG2-CD1 3.32Å; V246-I263 HydrophobicContact CG2-CG1 3.89Å; M260-I263 HydrophobicContact CE-CD1 4.07Å; M260-I263 HydrophobicContact CE-CG1 3.3Å; I263-I265 HydrophobicContact CG2-CG1 4.27Å; I263-L276 CarbonylContact C-O 3.54Å; I263-L276 VanDerWaalsContact CA-O 3.28Å; I263-L276 WeakPolarHBondContact CA-O 3.5Å; I263-L276 WeakPolarHBondContact CG2-O 3.41Å
264C87.7Confident83.5Confident0 Ų044.1 Ų44.10%024%0.237CC..EExtended strand (participates in β ladder)trans-114.5134.7165.3175.20000109I194 L199 L276 I278I194-C264 HydrophobicContact CB-CB 4.36Å; I194-C264 WeakPolarHBondContact O-CA 3.01Å; I194-C264 WeakPolarHBondContact O-CB 3.46Å; L199-C264 HydrophobicContact CD1-CB 4.04Å; C264-L276 HydrophobicContact CB-CB 4.07Å; C264-L276 HydrophobicContact CB-CD1 4.12Å; C264-L276 PolarHBondContact N-O 3.03Å; C264-L276 WeakPolarHBondContact O-CB 3.38Å; C264-L276 PolarHBondContact O-N 3.21Å; C264-I278 HydrophobicContact CB-CD1 3.78Å
265I85.8Confident83.5Confident19 Ų1943.2 Ų43.210%0.09723%0.229CC..EExtended strand (participates in β ladder)trans-111.2119169.8-57.5172.7000106.9M193 I263 E268 P273 E274 F275M193-I265 HydrophobicContact CE-CD1 3.74Å; M193-I265 HydrophobicContact CE-CG1 3.87Å; I263-I265 HydrophobicContact CG2-CG1 4.27Å; I265-E268 HydrophobicContact CB-CB 4.5Å; I265-E268 HydrophobicContact CG2-CB 3.71Å; I265-E268 HydrophobicContact CG2-CG 3.99Å; I265-P273 HydrophobicContact CG2-CB 4.11Å; I265-E274 CarbonylContact C-O 3.57Å; I265-E274 VanDerWaalsContact CA-O 3.3Å; I265-E274 WeakPolarHBondContact CA-O 3.34Å; I265-F275 HydrophobicContact CD1-CD1 4.15Å; I265-F275 HydrophobicContact CD1-CE1 3.99Å; I265-F275 HydrophobicContact CG1-CD1 3.89Å; I265-F275 HydrophobicContact CG1-CE1 4.18Å; I265-F275 HydrophobicContact CG2-CD1 4.46Å; I265-F275 HydrophobicContact CG2-CE1 4.36Å
266R86Confident83.6Confident73 Ų7342.3 Ų42.328%0.27522%0.223SC..EExtended strand (participates in β ladder)trans-96.3146.7170.1-62.3-179.2174.6174.1-3.6108.6P196 E268 P273 E274 L276P196-R266 HydrophobicContact CB-CG 4.18Å; P196-R266 HydrophobicContact CG-CG 4.05Å; R266-E268 VanDerWaalsContact C-N 3.27Å; R266-E268 PolarHBondContact O-N 3.43Å; R266-P273 WeakPolarHBondContact O-CA 3.43Å; R266-E274 HydrophobicContact CB-CB 4.11Å; R266-E274 HydrophobicContact CB-CG 4.34Å; R266-E274 PolarHBondContact N-O 3.43Å; R266-E274 PolarHBondContact O-N 2.98Å; R266-L276 HydrophobicContact CG-CD1 4.03Å
267E82.6Confident83.4Confident115 Ų11542.1 Ų42.154%0.53722%0.222SC..SBendtrans57.337.1177.3-55.1-172.1-175.600113.5N269 T270E267-N269 PolarHBondContact O-N 2.79Å; E267-T270 HydrophobicContact CB-CG2 3.73Å; E267-T270 WeakPolarHBondContact CB-OG1 3.47Å; E267-T270 HydrophobicContact CG-CG2 4.45Å; E267-T270 PolarHBondContact O-N 3.5Å; E267-T270 PolarHBondContact O-OG1 2.9Å; E267-T270 VanDerWaalsContact O-OG1 3.04Å
268E73.8Confident83.5Confident101 Ų10142 Ų4247%0.47222%0.221SC..THydrogen-bonded Turntrans-53.9-30.6-174.4-171.3170.6-163.300113.6K239 I265 R266K239-E268 IonicContact NZ-OE1 2.78Å; K239-E268 PolarHBondContact NZ-OE1 2.85Å; K239-E268 VanDerWaalsContact NZ-OE1 3.1Å; I265-E268 HydrophobicContact CB-CB 4.5Å; I265-E268 HydrophobicContact CG2-CB 3.71Å; I265-E268 HydrophobicContact CG2-CG 3.99Å; R266-E268 VanDerWaalsContact C-N 3.27Å; R266-E268 PolarHBondContact O-N 3.43Å
269N76.6Confident83.5Confident167 Ų16742.7 Ų42.789%0.89323%0.225SC*.THydrogen-bonded Turntrans-92.710.4-178.8-61.4-42.6000114.1E267E267-N269 PolarHBondContact O-N 2.79Å
270T76.1Confident83.7Confident65 Ų6542.8 Ų42.840%0.39923%0.226SC..SBendtrans-102.1172.1177.878.70000111.5E267 N272E267-T270 HydrophobicContact CB-CG2 3.73Å; E267-T270 WeakPolarHBondContact CB-OG1 3.47Å; E267-T270 HydrophobicContact CG-CG2 4.45Å; E267-T270 PolarHBondContact O-N 3.5Å; E267-T270 PolarHBondContact O-OG1 2.9Å; E267-T270 VanDerWaalsContact O-OG1 3.04Å; T270-N272 PolarHBondContact O-N 2.85Å; T270-N272 PolarHBondContact OG1-N 3.19Å
271S73.7Confident84Confident123 Ų12344.9 Ų44.986%0.8623%0.234SC*.SBendtrans-69.4-10.4174.850.10000113.6
272N76.1Confident84.3Confident110 Ų11045.2 Ų45.259%0.58824%0.236SC*.SBendtrans-141.467.1-175.4-168.146.2000112.2T270T270-N272 PolarHBondContact O-N 2.85Å; T270-N272 PolarHBondContact OG1-N 3.19Å
273P81.1Confident84.6Confident13 Ų1349.5 Ų49.58%0.08426%0.256CS..  trans-62.9139.6177.426.2-34.7000111.9P235 I265 R266 F275P235-P273 HydrophobicContact CB-CG 3.86Å; P235-P273 HydrophobicContact CG-CG 3.69Å; I265-P273 HydrophobicContact CG2-CB 4.11Å; R266-P273 WeakPolarHBondContact O-CA 3.43Å; P273-F275 HydrophobicContact CB-CE2 4.07Å; P273-F275 HydrophobicContact CB-CZ 4.08Å; P273-F275 HydrophobicContact CG-CE2 3.69Å; P273-F275 HydrophobicContact CG-CZ 3.75Å; P273-F275 WeakPolarHBondContact O-CD2 3.4Å; P273-F275 WeakPolarHBondContact O-CE2 3.45Å
274E84.9Confident84.9Confident41 Ų4152.1 Ų52.119%0.19227%0.268CS..EExtended strand (participates in β ladder)trans-93.3128.7174.1-45-169.6135.400110.2K229 I265 R266K229-E274 VanDerWaalsContact CE-OE1 3.23Å; K229-E274 WeakPolarHBondContact CE-OE1 3.35Å; K229-E274 IonicContact NZ-OE1 3.6Å; K229-E274 PolarHBondContact NZ-OE1 3.45Å; K229-E274 IonicContact NZ-OE2 3.73Å; I265-E274 CarbonylContact C-O 3.57Å; I265-E274 VanDerWaalsContact CA-O 3.3Å; I265-E274 WeakPolarHBondContact CA-O 3.34Å; R266-E274 HydrophobicContact CB-CB 4.11Å; R266-E274 HydrophobicContact CB-CG 4.34Å; R266-E274 PolarHBondContact N-O 3.43Å; R266-E274 PolarHBondContact O-N 2.98Å
275F83.6Confident85.2Confident9 Ų953.4 Ų53.44%0.03928%0.281CS..EExtended strand (participates in β ladder)trans-108.2119.4179.8-60.2-90.1000110.4K229 Y230 V238 F242 I265 P273K229-F275 WeakPolarHBondContact CA-O 3.48Å; Y230-F275 PolarHBondContact N-O 2.91Å; V238-F275 HydrophobicContact CB-CD1 4.14Å; V238-F275 HydrophobicContact CB-CD2 4.03Å; V238-F275 HydrophobicContact CB-CE1 3.85Å; V238-F275 HydrophobicContact CB-CE2 3.7Å; V238-F275 HydrophobicContact CB-CG 4.22Å; V238-F275 HydrophobicContact CB-CZ 3.61Å; V238-F275 HydrophobicContact CG1-CB 3.88Å; V238-F275 HydrophobicContact CG1-CD1 3.33Å; V238-F275 HydrophobicContact CG1-CD2 3.45Å; V238-F275 VanDerWaalsContact CG1-CD2 3.45Å; V238-F275 HydrophobicContact CG1-CE1 3.56Å; V238-F275 HydrophobicContact CG1-CE2 3.65Å; V238-F275 HydrophobicContact CG1-CG 3.27Å; V238-F275 HydrophobicContact CG1-CZ 3.71Å; V238-F275 HydrophobicContact CG2-CD2 4.17Å; V238-F275 HydrophobicContact CG2-CE2 3.88Å; V238-F275 HydrophobicContact CG2-CZ 4.26Å; F242-F275 HydrophobicContact CE1-CB 3.72Å; F242-F275 HydrophobicContact CE2-CB 4.33Å; F242-F275 HydrophobicContact CZ-CB 3.47Å; F242-F275 VanDerWaalsContact CZ-CB 3.47Å; F242-F275 HydrophobicContact CZ-CG 4.29Å; I265-F275 HydrophobicContact CD1-CD1 4.15Å; I265-F275 HydrophobicContact CD1-CE1 3.99Å; I265-F275 HydrophobicContact CG1-CD1 3.89Å; I265-F275 HydrophobicContact CG1-CE1 4.18Å; I265-F275 HydrophobicContact CG2-CD1 4.46Å; I265-F275 HydrophobicContact CG2-CE1 4.36Å; P273-F275 HydrophobicContact CB-CE2 4.07Å; P273-F275 HydrophobicContact CB-CZ 4.08Å; P273-F275 HydrophobicContact CG-CE2 3.69Å; P273-F275 HydrophobicContact CG-CZ 3.75Å; P273-F275 WeakPolarHBondContact O-CD2 3.4Å; P273-F275 WeakPolarHBondContact O-CE2 3.45Å
276L87.8Confident85.6Confident4 Ų453 Ų532%0.02128%0.279CS..EExtended strand (participates in β ladder)trans-118.4131.7-174.5-50.4176.6000110.1L199 I227 K228 K229 I263 C264 R266 I278L199-L276 HydrophobicContact CD1-CD1 4.25Å; I227-L276 HydrophobicContact CG2-CB 4.05Å; I227-L276 HydrophobicContact CG2-CD1 4.18Å; I227-L276 HydrophobicContact CG2-CD2 4.17Å; I227-L276 HydrophobicContact CG2-CG 4.37Å; K228-L276 CarbonylContact O-C 3.53Å; K228-L276 VanDerWaalsContact O-CA 3.3Å; K228-L276 WeakPolarHBondContact O-CA 3.49Å; K229-L276 HydrophobicContact CB-CD2 3.54Å; K229-L276 HydrophobicContact CD-CD2 4.35Å; K229-L276 HydrophobicContact CG-CD2 3.71Å; I263-L276 CarbonylContact C-O 3.54Å; I263-L276 VanDerWaalsContact CA-O 3.28Å; I263-L276 WeakPolarHBondContact CA-O 3.5Å; I263-L276 WeakPolarHBondContact CG2-O 3.41Å; C264-L276 HydrophobicContact CB-CB 4.07Å; C264-L276 HydrophobicContact CB-CD1 4.12Å; C264-L276 PolarHBondContact N-O 3.03Å; C264-L276 WeakPolarHBondContact O-CB 3.38Å; C264-L276 PolarHBondContact O-N 3.21Å; R266-L276 HydrophobicContact CG-CD1 4.03Å; L276-I278 HydrophobicContact CB-CD1 3.9Å; L276-I278 WeakPolarHBondContact O-CD1 3.29Å
277V87.1Confident86.2Confident2 Ų249.5 Ų49.51%0.01227%0.266CS..EExtended strand (participates in β ladder)trans-107.4124.4169.5173.10000108.6K228 Y230 F242 M260 M279K228-V277 HydrophobicContact CB-CB 4.43Å; K228-V277 PolarHBondContact N-O 2.62Å; K228-V277 PolarHBondContact O-N 3.4Å; Y230-V277 HydrophobicContact CE2-CG2 3.79Å; F242-V277 HydrophobicContact CD1-CG2 4.09Å; F242-V277 HydrophobicContact CE1-CG2 3.62Å; F242-V277 HydrophobicContact CZ-CG2 4.42Å; M260-V277 HydrophobicContact CE-CG1 4.02Å; M260-V277 HydrophobicContact CE-CG2 4.47Å; M260-V277 HydrophobicContact CG-CG1 4.18Å; M260-V277 HydrophobicContact SD-CG1 4.21Å; V277-M279 HydrophobicContact CG1-CE 4.48Å; V277-M279 HydrophobicContact CG1-CG 3.82Å; V277-M279 HydrophobicContact CG1-SD 4.03Å
278I91Very high86.8Confident0 Ų044.5 Ų44.50%024%0.243CC..EExtended strand (participates in β ladder)trans-104.3120.1-174-61.455.9000106.8I194 L199 F220 V225 A226 F261 G262 C264 L276I194-I278 HydrophobicContact CD1-CB 3.8Å; I194-I278 HydrophobicContact CD1-CD1 4.42Å; I194-I278 HydrophobicContact CD1-CG1 3.85Å; I194-I278 HydrophobicContact CD1-CG2 4.08Å; L199-I278 HydrophobicContact CD1-CD1 4.45Å; L199-I278 HydrophobicContact CD1-CG1 4.28Å; L199-I278 HydrophobicContact CD2-CG1 3.88Å; L199-I278 HydrophobicContact CD2-CG2 4.41Å; F220-I278 HydrophobicContact CB-CG2 4.41Å; F220-I278 HydrophobicContact CD1-CG2 4.41Å; V225-I278 HydrophobicContact CB-CG2 3.98Å; V225-I278 HydrophobicContact CG1-CG2 4.15Å; V225-I278 HydrophobicContact CG2-CG2 4.01Å; A226-I278 WeakPolarHBondContact O-CA 3.37Å; F261-I278 HydrophobicContact CB-CB 4.46Å; F261-I278 HydrophobicContact CB-CG2 4.11Å; F261-I278 HydrophobicContact CD2-CG2 4.08Å; F261-I278 PolarHBondContact N-O 2.82Å; G262-I278 PolarHBondContact N-O 3.32Å; G262-I278 PolarHBondContact O-N 2.96Å; C264-I278 HydrophobicContact CB-CD1 3.78Å; L276-I278 HydrophobicContact CB-CD1 3.9Å; L276-I278 WeakPolarHBondContact O-CD1 3.29Å
279M90.4Very high87.8Confident24 Ų2443.6 Ų43.612%0.11824%0.241CC..EExtended strand (participates in β ladder)trans-129163.4-174-62.1172-67.100110.7V225 A226 K228 L258 R259 V277 Y281V225-M279 WeakPolarHBondContact CA-O 3.4Å; V225-M279 VanDerWaalsContact CB-O 3.32Å; V225-M279 WeakPolarHBondContact CB-O 3.49Å; A226-M279 PolarHBondContact N-O 3.21Å; A226-M279 PolarHBondContact O-N 3.4Å; K228-M279 HydrophobicContact CB-CE 3.72Å; K228-M279 HydrophobicContact CD-CE 4.34Å; L258-M279 HydrophobicContact CD2-CB 4.47Å; L258-M279 HydrophobicContact CD2-SD 3.73Å; R259-M279 CarbonylContact O-C 3.51Å; R259-M279 WeakPolarHBondContact O-CA 3.46Å; R259-M279 WeakPolarHBondContact O-CB 3.28Å; V277-M279 HydrophobicContact CG1-CE 4.48Å; V277-M279 HydrophobicContact CG1-CG 3.82Å; V277-M279 HydrophobicContact CG1-SD 4.03Å; M279-Y281 PolarHBondContact O-N 3.44Å
280E90.2Very high88.7Confident18 Ų1835.9 Ų35.98%0.08420%0.2CC..EExtended strand (participates in β ladder)trans-58.7140.1167.469.5-176146.100110.6L258 R259 F261 K343L258-E280 HydrophobicContact CD1-CG 3.54Å; L258-E280 HydrophobicContact CG-CG 4.41Å; R259-E280 HydrophobicContact CB-CB 4.21Å; R259-E280 HydrophobicContact CB-CG 3.96Å; R259-E280 WeakPolarHBondContact CB-OE1 3.47Å; R259-E280 PolarHBondContact N-OE1 2.92Å; R259-E280 PolarHBondContact O-N 3.23Å; F261-E280 HydrophobicContact CE2-CB 4.12Å; F261-E280 HydrophobicContact CZ-CB 4.37Å; E280-K343 WeakPolarHBondContact OE1-CD 3.15Å; E280-K343 WeakPolarHBondContact OE1-CE 3.33Å; E280-K343 IonicContact OE1-NZ 3.44Å; E280-K343 PolarHBondContact OE1-NZ 3.24Å; E280-K343 VanDerWaalsContact OE2-CE 3.25Å; E280-K343 WeakPolarHBondContact OE2-CE 3.17Å; E280-K343 IonicContact OE2-NZ 3.97Å; E280-K343 PolarHBondContact OE2-NZ 3.37Å
281Y92.6Very high89.6Confident49 Ų4933 Ų3319%0.19218%0.182CC..  trans-84.4132.1173.5-174.9-106000109.1F207 K217 T224 A226 M279 E283F207-Y281 HydrophobicContact CE1-CD2 4.47Å; F207-Y281 AromaticContact CE1-CE2 3.96Å; F207-Y281 HydrophobicContact CE1-CE2 3.96Å; F207-Y281 HydrophobicContact CZ-CD2 4.4Å; F207-Y281 AromaticContact CZ-CE2 3.95Å; F207-Y281 HydrophobicContact CZ-CE2 3.95Å; K217-Y281 HydrophobicContact CD-CE1 4.32Å; K217-Y281 HydrophobicContact CD-CE2 4.06Å; K217-Y281 HydrophobicContact CG-CD2 4.34Å; K217-Y281 HydrophobicContact CG-CE2 4.16Å; T224-Y281 HydrophobicContact CG2-CD1 3.73Å; T224-Y281 HydrophobicContact CG2-CE1 4.42Å; T224-Y281 HydrophobicContact CG2-CG 3.82Å; A226-Y281 HydrophobicContact CB-CD2 4.29Å; M279-Y281 PolarHBondContact O-N 3.44Å; Y281-E283 HydrophobicContact CD1-CG 4.18Å; Y281-E283 HydrophobicContact CE1-CG 4.25Å
282C93.6Very high90.5Very high9 Ų931.3 Ų31.36%0.06116%0.163CC..  trans-105.7107176.2-73.80000108.8K284 G285 L335 V336C282-K284 PolarHBondContact O-N 3.29Å; C282-K284 VanDerWaalsContact O-N 3.11Å; C282-G285 PolarHBondContact O-N 3.41Å; C282-L335 HydrophobicContact CB-CB 3.75Å; C282-L335 HydrophobicContact CB-CD1 4.41Å; C282-L335 VanDerWaalsContact SG-CB 3.56Å; C282-V336 CarbonylContact C-O 3.47Å; C282-V336 WeakPolarHBondContact CB-O 3.32Å
283E90.9Very high91.3Very high90 Ų9027.9 Ų27.942%0.42115%0.148SC..THydrogen-bonded Turntrans-62.3-24.3-166.8-67.974.5-167.100113.8Y281 E338Y281-E283 HydrophobicContact CD1-CG 4.18Å; Y281-E283 HydrophobicContact CE1-CG 4.25Å; E283-E338 HydrophobicContact CB-CB 4.23Å; E283-E338 HydrophobicContact CG-CB 4.05Å; E283-E338 WeakPolarHBondContact OE2-CB 3.17Å; E283-E338 PolarHBondContact OE2-N 2.87Å
284K92.1Very high91.6Very high63 Ų6337.2 Ų37.227%0.27419%0.187SC..THydrogen-bonded Turntrans-98.35.9-179.1-55.3-176.2-168.7-69.90113.2C282 V290 V336 D337 E338 Y340C282-K284 PolarHBondContact O-N 3.29Å; C282-K284 VanDerWaalsContact O-N 3.11Å; K284-V290 HydrophobicContact CB-CG2 3.61Å; K284-V290 HydrophobicContact CD-CG2 4.45Å; K284-V336 HydrophobicContact CB-CB 4.09Å; K284-V336 HydrophobicContact CB-CG1 4.21Å; K284-V336 WeakPolarHBondContact CB-O 3.43Å; K284-V336 HydrophobicContact CD-CG1 4.04Å; K284-V336 PolarHBondContact N-O 3.05Å; K284-D337 WeakPolarHBondContact CD-O 3.45Å; K284-D337 VanDerWaalsContact CE-O 3.23Å; K284-D337 WeakPolarHBondContact CE-O 3.24Å; K284-E338 WeakPolarHBondContact CE-O 3.26Å; K284-E338 PolarHBondContact NZ-O 3.45Å; K284-Y340 HydrophobicContact CD-CD1 3.89Å; K284-Y340 HydrophobicContact CD-CD2 4.05Å; K284-Y340 HydrophobicContact CD-CE1 3.72Å; K284-Y340 HydrophobicContact CD-CE2 3.88Å; K284-Y340 HydrophobicContact CD-CG 4.05Å; K284-Y340 VanDerWaalsContact NZ-CE2 3.31Å
285G93.4Very high91.7Very high27 Ų2741.2 Ų41.228%0.27821%0.206SC..  trans72.3-14518000000112.3C282 L335 V336C282-G285 PolarHBondContact O-N 3.41Å; G285-L335 WeakPolarHBondContact O-CA 3.08Å; G285-V336 PolarHBondContact O-N 3.16Å
286S94.9Very high91.8Very high9 Ų949.5 Ų49.56%0.06324%0.244CC..BIsolated β-bridgetrans-75.9158.8176.672.30000111.8R288 D289 V290 F334S286-R288 PolarHBondContact O-N 2.98Å; S286-R288 PolarHBondContact OG-N 3.48Å; S286-D289 WeakPolarHBondContact CB-OD2 3.42Å; S286-D289 PolarHBondContact N-OD2 3.17Å; S286-D289 WeakPolarHBondContact O-CB 3.23Å; S286-D289 PolarHBondContact O-N 3.29Å; S286-D289 PolarHBondContact OG-N 3.03Å; S286-D289 VanDerWaalsContact OG-N 3.16Å; S286-D289 PolarHBondContact OG-OD2 3.38Å; S286-V290 PolarHBondContact O-N 3.01Å; S286-V290 VanDerWaalsContact O-N 3.08Å; S286-F334 CarbonylContact C-O 3.56Å; S286-F334 WeakPolarHBondContact CA-O 3.3Å
287L97.2Very high91.9Very high0 Ų050 Ų500%025%0.247CC..Hα-helixtrans-56.7-36.6171.2170.364.5000110.3D289 V290 L291 M305 S331 F334 V336 V398 I402L287-D289 VanDerWaalsContact C-N 3.32Å; L287-D289 PolarHBondContact O-N 3.44Å; L287-V290 PolarHBondContact O-N 2.77Å; L287-L291 HydrophobicContact CD1-CD1 4.2Å; L287-L291 HydrophobicContact CD1-CD2 4.4Å; L287-L291 HydrophobicContact CD1-CG 4.07Å; L287-L291 HydrophobicContact CG-CD1 4.07Å; L287-L291 HydrophobicContact CG-CG 4.37Å; L287-L291 VanDerWaalsContact O-CG 3.23Å; L287-L291 WeakPolarHBondContact O-CG 3.42Å; L287-L291 PolarHBondContact O-N 3.49Å; L287-M305 HydrophobicContact CD1-CE 3.14Å; L287-S331 WeakPolarHBondContact CB-O 3.46Å; L287-F334 HydrophobicContact CB-CB 3.82Å; L287-F334 HydrophobicContact CD2-CB 4.04Å; L287-F334 HydrophobicContact CD2-CD2 4.5Å; L287-F334 HydrophobicContact CD2-CG 4.45Å; L287-F334 PolarHBondContact N-O 3.04Å; L287-V336 HydrophobicContact CB-CG2 3.99Å; L287-V336 HydrophobicContact CD1-CG2 4.26Å; L287-V398 HydrophobicContact CD2-CG1 3.58Å; L287-I402 HydrophobicContact CD1-CG1 4.13Å; L287-I402 HydrophobicContact CD2-CD1 3.9Å; L287-I402 HydrophobicContact CD2-CG1 3.92Å; L287-I402 HydrophobicContact CG-CG1 4.48Å
288R95.1Very high92Very high11 Ų1155.8 Ų55.84%0.04228%0.277CS..Hα-helixtrans-60.8-39.7174.9-169.462-83.4179-13.3112.7S286 L291 N292 S331 E401 R405 K406S286-R288 PolarHBondContact O-N 2.98Å; S286-R288 PolarHBondContact OG-N 3.48Å; R288-L291 PolarHBondContact O-N 3.37Å; R288-N292 PolarHBondContact NE-OD1 3.43Å; R288-N292 PolarHBondContact NH2-OD1 2.97Å; R288-N292 WeakPolarHBondContact O-CB 3.45Å; R288-N292 PolarHBondContact O-N 3.43Å; R288-N292 PolarHBondContact O-ND2 3.39Å; R288-N292 PolarHBondContact O-OD1 3.1Å; R288-S331 WeakPolarHBondContact CD-OG 3.48Å; R288-S331 PolarHBondContact N-O 2.93Å; R288-E401 IonicContact CZ-OE1 3.32Å; R288-E401 IonicContact NH1-OE1 3.28Å; R288-E401 PolarHBondContact NH1-OE1 2.93Å; R288-R405 PolarHBondContact NH2-O 3.27Å; R288-K406 PolarHBondContact NH1-O 3.4Å
289D94.5Very high92Very high81 Ų8157.7 Ų57.743%0.43328%0.284SS..Hα-helixtrans-63.8-44.6175.7-58.7-45.6000111.1S286 L287 L291 N292 S293S286-D289 WeakPolarHBondContact CB-OD2 3.42Å; S286-D289 PolarHBondContact N-OD2 3.17Å; S286-D289 WeakPolarHBondContact O-CB 3.23Å; S286-D289 PolarHBondContact O-N 3.29Å; S286-D289 PolarHBondContact OG-N 3.03Å; S286-D289 VanDerWaalsContact OG-N 3.16Å; S286-D289 PolarHBondContact OG-OD2 3.38Å; L287-D289 VanDerWaalsContact C-N 3.32Å; L287-D289 PolarHBondContact O-N 3.44Å; D289-L291 VanDerWaalsContact C-N 3.33Å; D289-L291 PolarHBondContact O-N 3.41Å; D289-N292 PolarHBondContact O-N 3.03Å; D289-S293 PolarHBondContact O-N 3.28Å
290V95.6Very high91.8Very high6 Ų659.7 Ų59.74%0.03630%0.298CS..Hα-helixtrans-59.4-45176.31750000111.4K284 S286 L287 N292 S293 L297 M305 V336 Y340 R405K284-V290 HydrophobicContact CB-CG2 3.61Å; K284-V290 HydrophobicContact CD-CG2 4.45Å; S286-V290 PolarHBondContact O-N 3.01Å; S286-V290 VanDerWaalsContact O-N 3.08Å; L287-V290 PolarHBondContact O-N 2.77Å; V290-N292 VanDerWaalsContact C-N 3.31Å; V290-N292 PolarHBondContact O-N 3.11Å; V290-S293 VanDerWaalsContact O-CB 3.3Å; V290-S293 WeakPolarHBondContact O-CB 3.43Å; V290-S293 PolarHBondContact O-N 3.34Å; V290-S293 PolarHBondContact O-OG 3.43Å; V290-L297 HydrophobicContact CG1-CD1 4.21Å; V290-M305 HydrophobicContact CG1-CE 4Å; V290-V336 HydrophobicContact CG2-CB 3.8Å; V290-V336 HydrophobicContact CG2-CG1 4.06Å; V290-V336 HydrophobicContact CG2-CG2 3.85Å; V290-Y340 HydrophobicContact CG1-CD1 4.24Å; V290-Y340 HydrophobicContact CG1-CE1 3.93Å; V290-R405 PolarHBondContact O-NH2 3.47Å
291L95.9Very high91.8Very high4 Ų463.9 Ų63.92%0.02131%0.313CS..Hα-helixtrans-68.9-29.9-179.8-63.7174.9000112.5L287 R288 D289 S293 L297 E401 I402 R405L287-L291 HydrophobicContact CD1-CD1 4.2Å; L287-L291 HydrophobicContact CD1-CD2 4.4Å; L287-L291 HydrophobicContact CD1-CG 4.07Å; L287-L291 HydrophobicContact CG-CD1 4.07Å; L287-L291 HydrophobicContact CG-CG 4.37Å; L287-L291 VanDerWaalsContact O-CG 3.23Å; L287-L291 WeakPolarHBondContact O-CG 3.42Å; L287-L291 PolarHBondContact O-N 3.49Å; R288-L291 PolarHBondContact O-N 3.37Å; D289-L291 VanDerWaalsContact C-N 3.33Å; D289-L291 PolarHBondContact O-N 3.41Å; L291-S293 VanDerWaalsContact C-N 3.33Å; L291-L297 HydrophobicContact CD2-CD1 4.11Å; L291-E401 HydrophobicContact CD1-CB 3.89Å; L291-I402 HydrophobicContact CD1-CG1 4.43Å; L291-R405 HydrophobicContact CD2-CG 4.18Å; L291-R405 PolarHBondContact O-NE 3.24Å; L291-R405 PolarHBondContact O-NH2 3.38Å
292N93.3Very high91.9Very high88 Ų8862.5 Ų62.547%0.47131%0.308SS..Hα-helixtrans-78.1-16.1174.2-67.5-11.9000113.6R288 D289 V290R288-N292 PolarHBondContact NE-OD1 3.43Å; R288-N292 PolarHBondContact NH2-OD1 2.97Å; R288-N292 WeakPolarHBondContact O-CB 3.45Å; R288-N292 PolarHBondContact O-N 3.43Å; R288-N292 PolarHBondContact O-ND2 3.39Å; R288-N292 PolarHBondContact O-OD1 3.1Å; D289-N292 PolarHBondContact O-N 3.03Å; V290-N292 VanDerWaalsContact C-N 3.31Å; V290-N292 PolarHBondContact O-N 3.11Å
293S92.3Very high91.8Very high37 Ų3762.1 Ų62.126%0.25931%0.305SS..SBendtrans-62.9160.1178.977.40000112.2D289 V290 L291 H295 R405D289-S293 PolarHBondContact O-N 3.28Å; V290-S293 VanDerWaalsContact O-CB 3.3Å; V290-S293 WeakPolarHBondContact O-CB 3.43Å; V290-S293 PolarHBondContact O-N 3.34Å; V290-S293 PolarHBondContact O-OG 3.43Å; L291-S293 VanDerWaalsContact C-N 3.33Å; S293-H295 VanDerWaalsContact C-N 3.26Å; S293-H295 PolarHBondContact O-N 3.4Å; S293-H295 PolarHBondContact OG-N 3.16Å; S293-R405 PolarHBondContact O-NH2 3.02Å; S293-R405 PolarHBondContact OG-NH2 3.42Å
294K87.8Confident91.7Very high210 Ų21060 Ų6091%0.91330%0.301SS*.SBendtrans-80.7-6174.3-63.4-175.9-178.8-179.70113.4E296K294-E296 PolarHBondContact O-N 2.82Å
295H87Confident91.9Very high125 Ų12557 Ų5758%0.57929%0.288SS*.SBendtrans-70.5126.8-178.6-66.3-67.3000110.4S293 R405S293-H295 VanDerWaalsContact C-N 3.26Å; S293-H295 PolarHBondContact O-N 3.4Å; S293-H295 PolarHBondContact OG-N 3.16Å; H295-R405 PolarHBondContact O-NH1 3.48Å; H295-R405 PolarHBondContact O-NH2 2.97Å
296E84.7Confident92.1Very high182 Ų18255.8 Ų55.885%0.8528%0.275SS*.  trans-64.5139.7174-67.9-174.317000111.2K294K294-E296 PolarHBondContact O-N 2.82Å
297L90.9Very high92.1Very high16 Ų1656 Ų568%0.08428%0.275CS..  trans-118.1111.8176.6-68.1172.7000108.3V290 L291 R301 K302 M305 Y340 R405V290-L297 HydrophobicContact CG1-CD1 4.21Å; L291-L297 HydrophobicContact CD2-CD1 4.11Å; L297-R301 HydrophobicContact CD2-CG 3.97Å; L297-K302 HydrophobicContact CB-CG 4.09Å; L297-K302 WeakPolarHBondContact O-CE 3.38Å; L297-M305 HydrophobicContact CD1-SD 4.3Å; L297-M305 HydrophobicContact CD2-SD 4.46Å; L297-Y340 HydrophobicContact CD2-CD1 4.17Å; L297-Y340 HydrophobicContact CD2-CE1 3.77Å; L297-R405 VanDerWaalsContact CD1-NH1 3.35Å
298L89.4Confident92Very high123 Ų12356.9 Ų56.964%0.64428%0.28SS*.  trans-61.3154.3173.1-59.3177.5000110.7T300 R301 K302L298-T300 PolarHBondContact O-N 2.79Å; L298-R301 WeakPolarHBondContact O-CA 3.33Å; L298-R301 WeakPolarHBondContact O-CB 3.4Å; L298-R301 PolarHBondContact O-N 3.39Å; L298-K302 PolarHBondContact O-N 3.09Å
299W90.7Very high92.1Very high40 Ų4056.4 Ų56.415%0.15228%0.278CS..Hα-helixtrans-58.5-34.7178.1-79.6111.3000113.5R301 K302 A303 A403 P433 D435 C436 P437 L440 F472W299-R301 VanDerWaalsContact C-N 3.32Å; W299-R301 PolarHBondContact O-N 3.36Å; W299-K302 HydrophobicContact CD2-CD 4.14Å; W299-K302 HydrophobicContact CE3-CB 4.2Å; W299-K302 HydrophobicContact CE3-CD 3.71Å; W299-K302 HydrophobicContact CH2-CD 4.27Å; W299-K302 HydrophobicContact CZ3-CD 3.8Å; W299-K302 PolarHBondContact O-N 2.76Å; W299-A303 VanDerWaalsContact O-CB 3.32Å; W299-A303 WeakPolarHBondContact O-CB 3.36Å; W299-A303 PolarHBondContact O-N 2.59Å; W299-A403 HydrophobicContact CH2-CB 4.17Å; W299-A403 HydrophobicContact CZ3-CB 4.11Å; W299-P433 HydrophobicContact CH2-CG 4.4Å; W299-P433 HydrophobicContact CZ2-CB 4.41Å; W299-D435 PolarHBondContact NE1-O 2.72Å; W299-D435 PolarHBondContact NE1-OD2 3.03Å; W299-C436 VanDerWaalsContact CH2-CA 3.5Å; W299-C436 HydrophobicContact CH2-CB 3.58Å; W299-C436 VanDerWaalsContact CH2-SG 3.59Å; W299-C436 VanDerWaalsContact CZ2-CA 3.4Å; W299-C436 HydrophobicContact CZ2-CB 3.94Å; W299-C436 HydrophobicContact CZ3-CB 4.28Å; W299-P437 HydrophobicContact CB-CG 4.25Å; W299-P437 HydrophobicContact CD2-CG 4.03Å; W299-P437 VanDerWaalsContact CE3-CD 3.43Å; W299-P437 HydrophobicContact CE3-CG 4.27Å; W299-P437 HydrophobicContact CG-CG 4.01Å; W299-L440 HydrophobicContact CE3-CD2 3.95Å; W299-L440 HydrophobicContact CZ3-CD2 3.87Å; W299-F472 HydrophobicContact CB-CE1 4.05Å; W299-F472 HydrophobicContact CB-CZ 4.13Å
300T85.8Confident92.2Very high65 Ų6552.5 Ų52.540%0.39926%0.257SS..Hα-helixtrans-59.3-43.1173.3570000111.9L298 S304 F472L298-T300 PolarHBondContact O-N 2.79Å; T300-S304 WeakPolarHBondContact O-CB 3.34Å; T300-S304 PolarHBondContact O-N 3.33Å; T300-F472 HydrophobicContact CG2-CB 3.78Å; T300-F472 HydrophobicContact CG2-CD1 4.05Å; T300-F472 HydrophobicContact CG2-CG 3.94Å
301R89.6Confident92.1Very high107 Ų10753.3 Ų53.340%0.40426%0.261SS..Hα-helixtrans-69.5-44176.6-173.2157.8-64.5-171.33.8111.9L297 L298 W299 A303 S304 M305L297-R301 HydrophobicContact CD2-CG 3.97Å; L298-R301 WeakPolarHBondContact O-CA 3.33Å; L298-R301 WeakPolarHBondContact O-CB 3.4Å; L298-R301 PolarHBondContact O-N 3.39Å; W299-R301 VanDerWaalsContact C-N 3.32Å; W299-R301 PolarHBondContact O-N 3.36Å; R301-A303 VanDerWaalsContact C-N 3.33Å; R301-A303 PolarHBondContact O-N 3.4Å; R301-S304 WeakPolarHBondContact O-CB 3.32Å; R301-S304 PolarHBondContact O-N 2.99Å; R301-M305 HydrophobicContact CG-CG 4.42Å; R301-M305 HydrophobicContact CG-SD 3.93Å; R301-M305 VanDerWaalsContact O-CG 3.25Å; R301-M305 WeakPolarHBondContact O-CG 3.43Å; R301-M305 PolarHBondContact O-N 3.37Å
302K95.3Very high91.9Very high19 Ų1953.1 Ų53.18%0.08326%0.26CS..Hα-helixtrans-57.2-46.6174.6-70.1179.2177.6-179.10111.1L297 L298 W299 S304 M305 C306 I402 A403L297-K302 HydrophobicContact CB-CG 4.09Å; L297-K302 WeakPolarHBondContact O-CE 3.38Å; L298-K302 PolarHBondContact O-N 3.09Å; W299-K302 HydrophobicContact CD2-CD 4.14Å; W299-K302 HydrophobicContact CE3-CB 4.2Å; W299-K302 HydrophobicContact CE3-CD 3.71Å; W299-K302 HydrophobicContact CH2-CD 4.27Å; W299-K302 HydrophobicContact CZ3-CD 3.8Å; W299-K302 PolarHBondContact O-N 2.76Å; K302-S304 PolarHBondContact O-N 3.22Å; K302-M305 PolarHBondContact O-N 3.48Å; K302-C306 PolarHBondContact O-N 3.29Å; K302-C306 PolarHBondContact O-SG 2.97Å; K302-I402 HydrophobicContact CB-CG2 3.84Å; K302-I402 HydrophobicContact CG-CG2 4.15Å; K302-I402 WeakPolarHBondContact O-CG2 3.2Å; K302-A403 PolarHBondContact NZ-O 3.49Å
303A90.4Very high91.9Very high1 Ų149 Ų491%0.00824%0.237CC..Hα-helixtrans-63-40.3177.100000112.3W299 R301 C306 L307 L440 V468 L469 F472W299-A303 VanDerWaalsContact O-CB 3.32Å; W299-A303 WeakPolarHBondContact O-CB 3.36Å; W299-A303 PolarHBondContact O-N 2.59Å; R301-A303 VanDerWaalsContact C-N 3.33Å; R301-A303 PolarHBondContact O-N 3.4Å; A303-C306 WeakPolarHBondContact O-CB 3.4Å; A303-C306 PolarHBondContact O-N 3.4Å; A303-L307 PolarHBondContact O-N 3.35Å; A303-L440 HydrophobicContact CB-CD2 4.48Å; A303-V468 HydrophobicContact CB-CG1 4.36Å; A303-L469 HydrophobicContact CB-CD2 3.71Å; A303-L469 HydrophobicContact CB-CG 4.29Å; A303-F472 HydrophobicContact CB-CD2 4.17Å; A303-F472 HydrophobicContact CB-CE2 3.68Å
304S89.9Confident91.9Very high47 Ų4748.9 Ų48.933%0.32923%0.232SC..Hα-helixtrans-61.4-45.6174.3-169.30000111.6T300 R301 K302 C306 L307 D308T300-S304 WeakPolarHBondContact O-CB 3.34Å; T300-S304 PolarHBondContact O-N 3.33Å; R301-S304 WeakPolarHBondContact O-CB 3.32Å; R301-S304 PolarHBondContact O-N 2.99Å; K302-S304 PolarHBondContact O-N 3.22Å; S304-C306 VanDerWaalsContact C-N 3.32Å; S304-C306 PolarHBondContact O-N 2.77Å; S304-L307 PolarHBondContact O-N 3.3Å; S304-D308 PolarHBondContact O-N 2.9Å
305M96.1Very high91.9Very high0 Ų040.9 Ų40.90%020%0.196CC..Hα-helixtrans-64.7-36.8177.8-68170.57100111.9L287 V290 L297 R301 K302 A309 Y340 V342 I402L287-M305 HydrophobicContact CD1-CE 3.14Å; V290-M305 HydrophobicContact CG1-CE 4Å; L297-M305 HydrophobicContact CD1-SD 4.3Å; L297-M305 HydrophobicContact CD2-SD 4.46Å; R301-M305 HydrophobicContact CG-CG 4.42Å; R301-M305 HydrophobicContact CG-SD 3.93Å; R301-M305 VanDerWaalsContact O-CG 3.25Å; R301-M305 WeakPolarHBondContact O-CG 3.43Å; R301-M305 PolarHBondContact O-N 3.37Å; K302-M305 PolarHBondContact O-N 3.48Å; M305-A309 WeakPolarHBondContact O-CB 3.37Å; M305-A309 PolarHBondContact O-N 3.41Å; M305-Y340 HydrophobicContact SD-CD1 4.4Å; M305-V342 HydrophobicContact CB-CG2 3.67Å; M305-V342 HydrophobicContact CE-CG2 4.23Å; M305-V342 HydrophobicContact CG-CG2 3.78Å; M305-I402 HydrophobicContact CB-CD1 4.28Å; M305-I402 HydrophobicContact CB-CG2 4.3Å
306C98.1Very high91.8Very high0 Ų035 Ų350%017%0.169CC..Hα-helixtrans-62.8-44.3172.4-70.10000111.9K302 A303 S304 A310 L399 L440 L465K302-C306 PolarHBondContact O-N 3.29Å; K302-C306 PolarHBondContact O-SG 2.97Å; A303-C306 WeakPolarHBondContact O-CB 3.4Å; A303-C306 PolarHBondContact O-N 3.4Å; S304-C306 VanDerWaalsContact C-N 3.32Å; S304-C306 PolarHBondContact O-N 2.77Å; C306-A310 WeakPolarHBondContact O-CB 3.34Å; C306-A310 PolarHBondContact O-N 3.49Å; C306-L399 HydrophobicContact CB-CD2 3.78Å; C306-L440 HydrophobicContact CB-CD1 4.36Å; C306-L465 HydrophobicContact CB-CD1 4.31Å; C306-L465 HydrophobicContact CB-CD2 4.11Å
307L94.2Very high92Very high13 Ų1326.9 Ų26.97%0.06813%0.131CC..Hα-helixtrans-61.7-49.1177.1175.561.4000110.8A303 S304 A309 A310 Q311 V462 L465 L469A303-L307 PolarHBondContact O-N 3.35Å; S304-L307 PolarHBondContact O-N 3.3Å; L307-A309 VanDerWaalsContact C-N 3.34Å; L307-A309 PolarHBondContact O-N 3.46Å; L307-A310 CarbonylContact O-C 3.56Å; L307-A310 PolarHBondContact O-N 3.28Å; L307-A310 VanDerWaalsContact O-N 3.15Å; L307-Q311 HydrophobicContact CD1-CG 4.05Å; L307-Q311 HydrophobicContact CG-CG 4.32Å; L307-Q311 WeakPolarHBondContact O-CG 3.45Å; L307-Q311 PolarHBondContact O-N 3.33Å; L307-V462 HydrophobicContact CD1-CB 4.44Å; L307-V462 HydrophobicContact CD1-CG1 4Å; L307-L465 HydrophobicContact CB-CB 4.2Å; L307-L465 HydrophobicContact CD1-CB 3.92Å; L307-L469 HydrophobicContact CB-CD1 4.08Å; L307-L469 HydrophobicContact CD2-CD1 3.43Å; L307-L469 VanDerWaalsContact CD2-CD1 3.43Å; L307-L469 HydrophobicContact CG-CD1 4.38Å
308D94.8Very high91.4Very high20 Ų2027 Ų2711%0.10713%0.132CC..Hα-helixtrans-58.3-44.8179.3-77.9-23.6000112N256 S304 A310 Q311 G312 R341 V342N256-D308 WeakPolarHBondContact CB-O 3.27Å; N256-D308 WeakPolarHBondContact ND2-CA 3.48Å; N256-D308 VanDerWaalsContact ND2-CB 3.28Å; N256-D308 WeakPolarHBondContact ND2-CB 3.22Å; N256-D308 VanDerWaalsContact ND2-CG 3.29Å; N256-D308 PolarHBondContact ND2-OD1 3.03Å; S304-D308 PolarHBondContact O-N 2.9Å; D308-A310 VanDerWaalsContact C-N 3.34Å; D308-A310 PolarHBondContact O-N 3.1Å; D308-Q311 PolarHBondContact O-N 3.27Å; D308-Q311 PolarHBondContact OD1-OE1 3.03Å; D308-G312 PolarHBondContact O-N 3.04Å; D308-R341 WeakPolarHBondContact OD2-CA 3.42Å; D308-V342 HydrophobicContact CB-CB 3.58Å; D308-V342 HydrophobicContact CB-CG2 4.15Å; D308-V342 PolarHBondContact OD2-N 3.28Å
309A98.1Very high89.8Confident0 Ų026.3 Ų26.30%013%0.132CC..Hα-helixtrans-61.8-42176.500000111.9M305 L307 G312 L313 F334 V342 L395 L399M305-A309 WeakPolarHBondContact O-CB 3.37Å; M305-A309 PolarHBondContact O-N 3.41Å; L307-A309 VanDerWaalsContact C-N 3.34Å; L307-A309 PolarHBondContact O-N 3.46Å; A309-G312 PolarHBondContact O-N 3.17Å; A309-L313 PolarHBondContact O-N 2.92Å; A309-L313 VanDerWaalsContact O-N 3.16Å; A309-F334 HydrophobicContact CB-CD1 4.08Å; A309-F334 HydrophobicContact CB-CE1 3.73Å; A309-F334 HydrophobicContact CB-CZ 4.08Å; A309-V342 HydrophobicContact CB-CG1 4.28Å; A309-L395 HydrophobicContact CB-CD1 4.03Å; A309-L399 HydrophobicContact CB-CD2 4.43Å
310A96.7Very high87.9Confident0 Ų029.1 Ų29.10%015%0.147CC..Hα-helixtrans-66.5-37.5175.700000112.3C306 L307 D308 L313 Y314 L395 L461 V462 L465C306-A310 WeakPolarHBondContact O-CB 3.34Å; C306-A310 PolarHBondContact O-N 3.49Å; L307-A310 CarbonylContact O-C 3.56Å; L307-A310 PolarHBondContact O-N 3.28Å; L307-A310 VanDerWaalsContact O-N 3.15Å; D308-A310 VanDerWaalsContact C-N 3.34Å; D308-A310 PolarHBondContact O-N 3.1Å; A310-L313 PolarHBondContact O-N 2.95Å; A310-Y314 VanDerWaalsContact O-CB 3.22Å; A310-Y314 WeakPolarHBondContact O-CB 3.27Å; A310-Y314 PolarHBondContact O-N 3.37Å; A310-L395 HydrophobicContact CB-CD2 4.25Å; A310-L461 HydrophobicContact CB-CD2 3.98Å; A310-L461 HydrophobicContact CB-CG 4.09Å; A310-V462 HydrophobicContact CB-CG2 3.88Å; A310-L465 HydrophobicContact CB-CD1 3.75Å
311Q92.6Very high86.2Confident23 Ų2336 Ų3611%0.10718%0.175CC..Hα-helixtrans-65.5-40175.8-75.1173.8-53.900111.9N256 L307 D308 Y314 R315 V462N256-Q311 HydrophobicContact CB-CB 4.06Å; N256-Q311 WeakPolarHBondContact OD1-CB 3.4Å; N256-Q311 PolarHBondContact OD1-OE1 3.43Å; L307-Q311 HydrophobicContact CD1-CG 4.05Å; L307-Q311 HydrophobicContact CG-CG 4.32Å; L307-Q311 WeakPolarHBondContact O-CG 3.45Å; L307-Q311 PolarHBondContact O-N 3.33Å; D308-Q311 PolarHBondContact O-N 3.27Å; D308-Q311 PolarHBondContact OD1-OE1 3.03Å; Q311-Y314 PolarHBondContact O-N 3.2Å; Q311-R315 PolarHBondContact O-N 3.2Å; Q311-V462 HydrophobicContact CG-CG1 4.03Å; Q311-V462 HydrophobicContact CG-CG2 3.93Å
312G92.3Very high84.6Confident0 Ų037.6 Ų37.60%019%0.19CC..Hα-helixtrans-59.4-48.5173.300000112N256 I257 D308 A309 R315N256-G312 WeakPolarHBondContact O-CA 2.89Å; I257-G312 VanDerWaalsContact CD1-O 3.28Å; I257-G312 WeakPolarHBondContact CD1-O 3.35Å; D308-G312 PolarHBondContact O-N 3.04Å; A309-G312 PolarHBondContact O-N 3.17Å; G312-R315 WeakPolarHBondContact O-CB 3.44Å; G312-R315 PolarHBondContact O-N 3.49Å
313L93.6Very high82.9Confident0 Ų038.2 Ų38.20%020%0.197CC..Hα-helixtrans-67.3-42.2177.6-174.662.1000112.3A309 A310 R315 L316 H317 I329 E391 I392 L395A309-L313 PolarHBondContact O-N 2.92Å; A309-L313 VanDerWaalsContact O-N 3.16Å; A310-L313 PolarHBondContact O-N 2.95Å; L313-R315 PolarHBondContact O-N 2.69Å; L313-L316 WeakPolarHBondContact O-CB 3.42Å; L313-L316 PolarHBondContact O-N 3.33Å; L313-H317 PolarHBondContact O-N 3.46Å; L313-I329 HydrophobicContact CD1-CD1 4.01Å; L313-I329 HydrophobicContact CD1-CG1 4.36Å; L313-E391 HydrophobicContact CD1-CB 4.22Å; L313-E391 HydrophobicContact CD2-CB 4.14Å; L313-I392 HydrophobicContact CD2-CD1 4.07Å; L313-L395 HydrophobicContact CB-CD2 4.25Å; L313-L395 HydrophobicContact CD2-CB 3.94Å; L313-L395 HydrophobicContact CD2-CD2 3.63Å; L313-L395 HydrophobicContact CD2-CG 4.32Å
314Y92.3Very high82.2Confident35 Ų3540.5 Ų40.514%0.13721%0.206CC..Hα-helixtrans-56.5-38.7175.8172.7-122.7000111.4D108 A310 Q311 L316 H317 L318 A458 G459 V462D108-Y314 PolarHBondContact OD2-OH 2.68Å; A310-Y314 VanDerWaalsContact O-CB 3.22Å; A310-Y314 WeakPolarHBondContact O-CB 3.27Å; A310-Y314 PolarHBondContact O-N 3.37Å; Q311-Y314 PolarHBondContact O-N 3.2Å; Y314-L316 VanDerWaalsContact C-N 3.26Å; Y314-L316 PolarHBondContact O-N 3.38Å; Y314-H317 PolarHBondContact O-N 2.87Å; Y314-H317 VanDerWaalsContact O-N 3.1Å; Y314-L318 HydrophobicContact CD1-CD1 4.07Å; Y314-L318 HydrophobicContact CD2-CG 4.26Å; Y314-L318 HydrophobicContact CE1-CD1 3.78Å; Y314-L318 HydrophobicContact CE1-CD2 4.49Å; Y314-L318 HydrophobicContact CE1-CG 4.19Å; Y314-L318 HydrophobicContact CE2-CD1 4.34Å; Y314-L318 HydrophobicContact CE2-CD2 4.1Å; Y314-L318 HydrophobicContact CE2-CG 3.84Å; Y314-L318 HydrophobicContact CG-CD1 4.49Å; Y314-L318 WeakPolarHBondContact O-CG 3.49Å; Y314-L318 PolarHBondContact O-N 3.34Å; Y314-A458 HydrophobicContact CD2-CB 4.25Å; Y314-G459 VanDerWaalsContact CD2-CA 3.5Å; Y314-V462 HydrophobicContact CD1-CG2 4.41Å; Y314-V462 HydrophobicContact CG-CG2 4.34Å
315R87.3Confident81.9Confident42 Ų4239.9 Ų39.916%0.15820%0.199CC..Hα-helixtrans-58.1-35.9175.9-172.862.2-179.6101.9-4.1113.8R251 F252 E253 I257 Q311 G312 L313R251-R315 PolarHBondContact O-NH2 3.07Å; F252-R315 HydrophobicContact CB-CG 4.42Å; F252-R315 VanDerWaalsContact CD1-O 3.32Å; F252-R315 WeakPolarHBondContact CD1-O 3.47Å; E253-R315 PolarHBondContact O-NE 3.35Å; I257-R315 HydrophobicContact CD1-CB 4.31Å; I257-R315 HydrophobicContact CG1-CB 4.06Å; I257-R315 HydrophobicContact CG1-CG 3.92Å; Q311-R315 PolarHBondContact O-N 3.2Å; G312-R315 WeakPolarHBondContact O-CB 3.44Å; G312-R315 PolarHBondContact O-N 3.49Å; L313-R315 PolarHBondContact O-N 2.69Å
316L86.1Confident81.4Confident3 Ų340.4 Ų40.42%0.01620%0.202CC..Hα-helixtrans-78-34.6175.6-62.1179.1000112.7F252 I257 L313 Y314 L318 H326 L344 L347F252-L316 HydrophobicContact CB-CD2 4.09Å; F252-L316 HydrophobicContact CD1-CD2 3.92Å; F252-L316 HydrophobicContact CD2-CD2 3.98Å; F252-L316 HydrophobicContact CE1-CD2 4.36Å; F252-L316 HydrophobicContact CE2-CD2 4.46Å; F252-L316 HydrophobicContact CG-CD2 3.72Å; I257-L316 HydrophobicContact CD1-CD2 4.45Å; I257-L316 HydrophobicContact CD1-CG 4.36Å; L313-L316 WeakPolarHBondContact O-CB 3.42Å; L313-L316 PolarHBondContact O-N 3.33Å; Y314-L316 VanDerWaalsContact C-N 3.26Å; Y314-L316 PolarHBondContact O-N 3.38Å; L316-L318 VanDerWaalsContact C-N 3.31Å; L316-H326 HydrophobicContact CD1-CB 3.84Å; L316-L344 HydrophobicContact CD1-CD2 3.59Å; L316-L344 HydrophobicContact CG-CD2 4.34Å; L316-L347 HydrophobicContact CD1-CD2 3.5Å; L316-L347 HydrophobicContact CD2-CD1 3.98Å; L316-L347 HydrophobicContact CD2-CD2 3.76Å; L316-L347 HydrophobicContact CG-CD2 4.17Å
317H87.3Confident80.7Confident11 Ų1144.5 Ų44.55%0.05122%0.222CC..Hα-helixtrans-76.2-19.4-179.6-75.5-163.4000113.6L313 Y314 K388 E391 A458L313-H317 PolarHBondContact O-N 3.46Å; Y314-H317 PolarHBondContact O-N 2.87Å; Y314-H317 VanDerWaalsContact O-N 3.1Å; H317-K388 HydrophobicContact CB-CD 4.49Å; H317-K388 PolarHBondContact O-NZ 3.18Å; H317-E391 IonicContact CD2-OE2 2.74Å; H317-E391 PolarHBondContact CD2-OE2 3.18Å; H317-E391 IonicContact CE1-OE2 3.07Å; H317-E391 IonicContact NE2-OE2 3.49Å; H317-E391 PolarHBondContact NE2-OE2 3.26Å; H317-A458 HydrophobicContact CB-CB 4.31Å
318L79.2Confident80.3Confident19 Ų1945.5 Ų45.510%0.09923%0.23CC..SBendtrans-53.1133.6174.1-92.7158.1000110.7D108 Y314 L316 E320D108-L318 WeakPolarHBondContact OD1-CD2 3.43Å; D108-L318 WeakPolarHBondContact OD2-CD2 3.3Å; Y314-L318 HydrophobicContact CD1-CD1 4.07Å; Y314-L318 HydrophobicContact CD2-CG 4.26Å; Y314-L318 HydrophobicContact CE1-CD1 3.78Å; Y314-L318 HydrophobicContact CE1-CD2 4.49Å; Y314-L318 HydrophobicContact CE1-CG 4.19Å; Y314-L318 HydrophobicContact CE2-CD1 4.34Å; Y314-L318 HydrophobicContact CE2-CD2 4.1Å; Y314-L318 HydrophobicContact CE2-CG 3.84Å; Y314-L318 HydrophobicContact CG-CD1 4.49Å; Y314-L318 WeakPolarHBondContact O-CG 3.49Å; Y314-L318 PolarHBondContact O-N 3.34Å; L316-L318 VanDerWaalsContact C-N 3.31Å; L318-E320 PolarHBondContact O-N 2.63Å
319T54.6Low80.2Confident108 Ų10844.7 Ų44.766%0.66323%0.225SC*.  trans-71.6121.9-16239.30000113.7
320E52.8Low80Confident99 Ų9945.3 Ų45.346%0.46323%0.23SC..SBendtrans-120.8179.2135.4-66.8-179.5-155.800107.5R251 L318 I322R251-E320 IonicContact CZ-OE1 2.82Å; R251-E320 IonicContact CZ-OE2 2.6Å; R251-E320 VanDerWaalsContact NE-CD 3.3Å; R251-E320 IonicContact NE-OE1 2.68Å; R251-E320 PolarHBondContact NE-OE1 3.45Å; R251-E320 IonicContact NE-OE2 3.83Å; R251-E320 PolarHBondContact NE-OE2 3.49Å; R251-E320 IonicContact NH1-OE1 3.75Å; R251-E320 IonicContact NH1-OE2 2.96Å; R251-E320 PolarHBondContact NH1-OE2 3.35Å; R251-E320 VanDerWaalsContact NH2-CB 3.26Å; R251-E320 IonicContact NH2-OE1 2.77Å; R251-E320 PolarHBondContact NH2-OE1 3.35Å; R251-E320 IonicContact NH2-OE2 3.75Å; R251-E320 PolarHBondContact NH2-OE2 2.85Å; L318-E320 PolarHBondContact O-N 2.63Å; E320-I322 CarbonylContact O-C 3.6Å; E320-I322 PolarHBondContact O-N 2.99Å
321E49.1Very low79.9Confident208 Ų20845.3 Ų45.397%0.97223%0.23SC*.SBendtrans-42.9-24.5-179.2-72.6-179.2150.400114.7
322I56Low79.9Confident142 Ų14247.4 Ų47.473%0.72825%0.247SC*.SBendtrans-138.5114.2169.8-53.1174.6000109.2E320E320-I322 CarbonylContact O-C 3.6Å; E320-I322 PolarHBondContact O-N 2.99Å
323S59.7Low79.9Confident32 Ų3250 Ų5022%0.22426%0.258CS..  trans-65138.1173.174.70000110.8L325 K388S323-L325 PolarHBondContact O-N 2.9Å; S323-K388 WeakPolarHBondContact OG-CE 3.44Å
324K75.4Confident80Confident48 Ų4850 Ų5021%0.20926%0.258CS..  trans-87.9111.8176.9-166.2164.7-176.6158.40109.9T248 F252T248-K324 HydrophobicContact CG2-CD 3.93Å; T248-K324 PolarHBondContact OG1-NZ 3.5Å; F252-K324 HydrophobicContact CE2-CB 4.16Å; F252-K324 HydrophobicContact CE2-CD 3.75Å; F252-K324 HydrophobicContact CZ-CB 3.87Å; F252-K324 HydrophobicContact CZ-CD 4.3Å
325L83.8Confident80.2Confident34 Ų3450.1 Ų50.118%0.17826%0.261CS..  trans-77.7136.1170.7-55.4176000108.8S323 M327 Y386 K388 E391S323-L325 PolarHBondContact O-N 2.9Å; L325-M327 HydrophobicContact CB-CG 4.05Å; L325-Y386 HydrophobicContact CB-CD1 4.07Å; L325-Y386 HydrophobicContact CB-CE1 4.17Å; L325-Y386 HydrophobicContact CD1-CD1 3.69Å; L325-Y386 HydrophobicContact CD1-CE1 4.43Å; L325-Y386 WeakPolarHBondContact CD1-O 3.2Å; L325-Y386 HydrophobicContact CG-CD1 4.43Å; L325-K388 HydrophobicContact CD2-CB 4.41Å; L325-K388 HydrophobicContact CD2-CG 3.72Å; L325-E391 WeakPolarHBondContact CA-OE2 3.32Å; L325-E391 HydrophobicContact CD2-CG 4.37Å; L325-E391 VanDerWaalsContact CD2-OE2 3.25Å; L325-E391 WeakPolarHBondContact CD2-OE2 3.39Å
326H86.3Confident80.6Confident12 Ų1248.1 Ų48.16%0.05625%0.253CS..  trans-67.6-37.4172.4-173.8-54.3000112L316 S328 I329 G345 G346 E391L316-H326 HydrophobicContact CD1-CB 3.84Å; H326-S328 PolarHBondContact ND1-N 3.25Å; H326-S328 PolarHBondContact O-N 3.45Å; H326-I329 HydrophobicContact CB-CD1 3.69Å; H326-I329 HydrophobicContact CB-CG1 4.17Å; H326-G345 PolarHBondContact NE2-O 3.24Å; H326-G346 PolarHBondContact CE1-O 2.74Å; H326-E391 VanDerWaalsContact CA-OE1 3.25Å; H326-E391 WeakPolarHBondContact CA-OE1 3.44Å; H326-E391 VanDerWaalsContact CB-OE1 3.23Å; H326-E391 WeakPolarHBondContact CB-OE1 3.19Å; H326-E391 PolarHBondContact N-OE1 2.77Å
327M83.8Confident80.7Confident85 Ų8549 Ų4942%0.41926%0.258SS..SBendtrans68.44.3177.8-52.7177-75.500116.8L325 A350 Y386 E391L325-M327 HydrophobicContact CB-CG 4.05Å; M327-A350 HydrophobicContact CE-CB 3.66Å; M327-A350 HydrophobicContact SD-CB 4.41Å; M327-Y386 VanDerWaalsContact CA-CE1 3.47Å; M327-Y386 HydrophobicContact CB-CD1 4.44Å; M327-Y386 HydrophobicContact CB-CE1 4.19Å; M327-Y386 HydrophobicContact CG-CD1 3.97Å; M327-Y386 HydrophobicContact CG-CE1 4.08Å; M327-E391 PolarHBondContact N-OE1 3.32Å
328S84.8Confident80.6Confident35 Ų3553.8 Ų53.825%0.24528%0.28CS..  trans-152.739.1-172.7-175.80000112H326 T330 K333H326-S328 PolarHBondContact ND1-N 3.25Å; H326-S328 PolarHBondContact O-N 3.45Å; S328-T330 PolarHBondContact O-N 2.78Å; S328-T330 VanDerWaalsContact O-N 3.14Å; S328-K333 WeakPolarHBondContact O-CG 3.48Å; S328-K333 WeakPolarHBondContact OG-CE 3.41Å
329I92.8Very high80.8Confident2 Ų257.6 Ų57.61%0.0130%0.301CS..  trans-67.9114.7-179-62.2-61.7000110.5L313 H326 F334 L344 E391 L395 V398L313-I329 HydrophobicContact CD1-CD1 4.01Å; L313-I329 HydrophobicContact CD1-CG1 4.36Å; H326-I329 HydrophobicContact CB-CD1 3.69Å; H326-I329 HydrophobicContact CB-CG1 4.17Å; I329-F334 HydrophobicContact CG2-CE2 4.02Å; I329-F334 HydrophobicContact CG2-CZ 4.44Å; I329-L344 HydrophobicContact CD1-CD1 4Å; I329-L344 HydrophobicContact CD1-CD2 4.26Å; I329-E391 HydrophobicContact CG1-CB 4.46Å; I329-L395 HydrophobicContact CG2-CB 4.37Å; I329-V398 HydrophobicContact CG2-CG2 4.24Å
330T93.6Very high82.3Confident14 Ų1454.1 Ų54.19%0.08628%0.276CS..  trans-144.9163.1171.773.60000109.9S328 S332 K333 F334 L370 Y373S328-T330 PolarHBondContact O-N 2.78Å; S328-T330 VanDerWaalsContact O-N 3.14Å; T330-S332 PolarHBondContact O-N 2.94Å; T330-S332 VanDerWaalsContact O-N 3.17Å; T330-S332 PolarHBondContact OG1-N 2.72Å; T330-K333 PolarHBondContact O-N 3.47Å; T330-F334 WeakPolarHBondContact O-CD2 3.48Å; T330-L370 HydrophobicContact CG2-CD2 4.32Å; T330-Y373 HydrophobicContact CG2-CD1 4.38Å; T330-Y373 HydrophobicContact CG2-CD2 3.74Å; T330-Y373 HydrophobicContact CG2-CE1 4.43Å; T330-Y373 HydrophobicContact CG2-CE2 3.79Å; T330-Y373 HydrophobicContact CG2-CG 4.04Å
331S95.4Very high84.1Confident0 Ų051.6 Ų51.60%026%0.262CS..THydrogen-bonded Turntrans-62.6-19.9176.4520000113.6L287 R288 Y373 E401L287-S331 WeakPolarHBondContact CB-O 3.46Å; R288-S331 WeakPolarHBondContact CD-OG 3.48Å; R288-S331 PolarHBondContact N-O 2.93Å; S331-Y373 PolarHBondContact OG-OH 3.43Å; S331-Y373 VanDerWaalsContact OG-OH 3.08Å; S331-E401 VanDerWaalsContact CB-OE2 3.25Å; S331-E401 WeakPolarHBondContact CB-OE2 3.35Å; S331-E401 PolarHBondContact OG-OE1 2.78Å; S331-E401 PolarHBondContact OG-OE2 2.77Å; S331-E401 VanDerWaalsContact OG-OE2 3.13Å
332S91.6Very high86.4Confident67 Ų6741.7 Ų41.747%0.46922%0.216SC..THydrogen-bonded Turntrans-78.8-18173.5-57.20000113.8T330T330-S332 PolarHBondContact O-N 2.94Å; T330-S332 VanDerWaalsContact O-N 3.17Å; T330-S332 PolarHBondContact OG1-N 2.72Å
333K92.4Very high88.2Confident54 Ų5435.5 Ų35.524%0.23518%0.184CC..THydrogen-bonded Turntrans-84.3-15.2176.3-63.9-52.7-173170.90113.4S328 T330 L344 G345S328-K333 WeakPolarHBondContact O-CG 3.48Å; S328-K333 WeakPolarHBondContact OG-CE 3.41Å; T330-K333 PolarHBondContact O-N 3.47Å; K333-L344 HydrophobicContact CB-CD1 4.44Å; K333-G345 WeakPolarHBondContact O-CA 3.26Å; K333-G345 PolarHBondContact O-N 3.12Å
334F96Very high89.8Confident0 Ų034 Ų340%017%0.173CC..EExtended strand (participates in β ladder)trans-89.9128.7170-67.5-82.6000109.4S286 L287 A309 I329 T330 V342 K343 L344 L395 V398S286-F334 CarbonylContact C-O 3.56Å; S286-F334 WeakPolarHBondContact CA-O 3.3Å; L287-F334 HydrophobicContact CB-CB 3.82Å; L287-F334 HydrophobicContact CD2-CB 4.04Å; L287-F334 HydrophobicContact CD2-CD2 4.5Å; L287-F334 HydrophobicContact CD2-CG 4.45Å; L287-F334 PolarHBondContact N-O 3.04Å; A309-F334 HydrophobicContact CB-CD1 4.08Å; A309-F334 HydrophobicContact CB-CE1 3.73Å; A309-F334 HydrophobicContact CB-CZ 4.08Å; I329-F334 HydrophobicContact CG2-CE2 4.02Å; I329-F334 HydrophobicContact CG2-CZ 4.44Å; T330-F334 WeakPolarHBondContact O-CD2 3.48Å; F334-V342 HydrophobicContact CB-CG1 3.62Å; F334-V342 HydrophobicContact CD1-CG1 3.66Å; F334-V342 HydrophobicContact CG-CG1 3.95Å; F334-K343 CarbonylContact C-O 3.5Å; F334-K343 WeakPolarHBondContact CA-O 3.19Å; F334-L344 HydrophobicContact CD1-CB 4.01Å; F334-L344 HydrophobicContact CD1-CD1 3.97Å; F334-L344 HydrophobicContact CE1-CB 3.82Å; F334-L344 HydrophobicContact CE1-CD1 3.65Å; F334-L344 HydrophobicContact CE1-CD2 4.4Å; F334-L344 HydrophobicContact CE1-CG 4.16Å; F334-L344 HydrophobicContact CE2-CD1 4.24Å; F334-L344 HydrophobicContact CG-CD1 4.42Å; F334-L344 HydrophobicContact CZ-CD1 3.79Å; F334-L395 HydrophobicContact CE2-CD1 4.33Å; F334-L395 HydrophobicContact CZ-CD1 3.88Å; F334-V398 HydrophobicContact CD2-CG1 4Å; F334-V398 HydrophobicContact CE2-CB 4.5Å; F334-V398 HydrophobicContact CE2-CG1 4.03Å; F334-V398 HydrophobicContact CE2-CG2 4.19Å
335L95.9Very high90.5Very high38 Ų3831.9 Ų31.920%0.19916%0.164CC..EExtended strand (participates in β ladder)trans-105155.8173.7-58.2-173000110.2L258 C282 G285 V342 K343L258-L335 HydrophobicContact CD1-CD1 3.79Å; L258-L335 HydrophobicContact CD2-CD1 3.69Å; L258-L335 HydrophobicContact CG-CD1 4.36Å; C282-L335 HydrophobicContact CB-CB 3.75Å; C282-L335 HydrophobicContact CB-CD1 4.41Å; C282-L335 VanDerWaalsContact SG-CB 3.56Å; G285-L335 WeakPolarHBondContact O-CA 3.08Å; L335-V342 WeakPolarHBondContact O-CA 3.35Å; L335-K343 PolarHBondContact N-O 2.72Å; L335-K343 PolarHBondContact O-N 3.09Å
336V95.3Very high90.2Very high0 Ų031.5 Ų31.50%017%0.169CC..EExtended strand (participates in β ladder)trans-128.1120.6-174.6-171.80000110.4C282 K284 G285 L287 V290 Y340 R341 V342C282-V336 CarbonylContact C-O 3.47Å; C282-V336 WeakPolarHBondContact CB-O 3.32Å; K284-V336 HydrophobicContact CB-CB 4.09Å; K284-V336 HydrophobicContact CB-CG1 4.21Å; K284-V336 WeakPolarHBondContact CB-O 3.43Å; K284-V336 HydrophobicContact CD-CG1 4.04Å; K284-V336 PolarHBondContact N-O 3.05Å; G285-V336 PolarHBondContact O-N 3.16Å; L287-V336 HydrophobicContact CB-CG2 3.99Å; L287-V336 HydrophobicContact CD1-CG2 4.26Å; V290-V336 HydrophobicContact CG2-CB 3.8Å; V290-V336 HydrophobicContact CG2-CG1 4.06Å; V290-V336 HydrophobicContact CG2-CG2 3.85Å; V336-Y340 HydrophobicContact CG1-CD1 4.37Å; V336-R341 WeakPolarHBondContact CA-O 3.42Å; V336-V342 HydrophobicContact CG2-CG2 4.35Å
337D88.8Confident89.7Confident20 Ų2031.6 Ų31.611%0.10717%0.17CC..  trans-77.4176.617976.110.9000112.8K284 N339 Y340 R341K284-D337 WeakPolarHBondContact CD-O 3.45Å; K284-D337 VanDerWaalsContact CE-O 3.23Å; K284-D337 WeakPolarHBondContact CE-O 3.24Å; D337-N339 PolarHBondContact O-N 3.19Å; D337-N339 VanDerWaalsContact O-N 3.09Å; D337-N339 WeakPolarHBondContact OD1-CA 3.49Å; D337-N339 WeakPolarHBondContact OD1-CB 3.26Å; D337-N339 PolarHBondContact OD1-N 3.17Å; D337-Y340 PolarHBondContact O-N 3.24Å; D337-Y340 PolarHBondContact OD1-N 3.45Å; D337-R341 PolarHBondContact N-O 3.03Å; D337-R341 VanDerWaalsContact N-O 3.16Å; D337-R341 WeakPolarHBondContact OD1-CB 3.45Å; D337-R341 PolarHBondContact OD1-N 3.37Å; D337-R341 WeakPolarHBondContact OD2-CB 3.37Å
338E86.4Confident88.7Confident113 Ų11328.7 Ų28.753%0.52816%0.155SC..THydrogen-bonded Turntrans-50.1-33.3177.3-170.9177.3-166.400113.6E283 K284E283-E338 HydrophobicContact CB-CB 4.23Å; E283-E338 HydrophobicContact CG-CB 4.05Å; E283-E338 WeakPolarHBondContact OE2-CB 3.17Å; E283-E338 PolarHBondContact OE2-N 2.87Å; K284-E338 WeakPolarHBondContact CE-O 3.26Å; K284-E338 PolarHBondContact NZ-O 3.45Å
339N82.3Confident87.1Confident99 Ų9929.1 Ų29.153%0.52916%0.155SC..THydrogen-bonded Turntrans-92.89.9-176.2-64.2-55000113.8D337 R341D337-N339 PolarHBondContact O-N 3.19Å; D337-N339 VanDerWaalsContact O-N 3.09Å; D337-N339 WeakPolarHBondContact OD1-CA 3.49Å; D337-N339 WeakPolarHBondContact OD1-CB 3.26Å; D337-N339 PolarHBondContact OD1-N 3.17Å; N339-R341 PolarHBondContact O-N 2.93Å
340Y86.8Confident84.7Confident34 Ų3431.2 Ų31.213%0.13317%0.172CC..  trans66.817.7-174.5-69-96000114.9K284 V290 L297 M305 V336 D337K284-Y340 HydrophobicContact CD-CD1 3.89Å; K284-Y340 HydrophobicContact CD-CD2 4.05Å; K284-Y340 HydrophobicContact CD-CE1 3.72Å; K284-Y340 HydrophobicContact CD-CE2 3.88Å; K284-Y340 HydrophobicContact CD-CG 4.05Å; K284-Y340 VanDerWaalsContact NZ-CE2 3.31Å; V290-Y340 HydrophobicContact CG1-CD1 4.24Å; V290-Y340 HydrophobicContact CG1-CE1 3.93Å; L297-Y340 HydrophobicContact CD2-CD1 4.17Å; L297-Y340 HydrophobicContact CD2-CE1 3.77Å; M305-Y340 HydrophobicContact SD-CD1 4.4Å; V336-Y340 HydrophobicContact CG1-CD1 4.37Å; D337-Y340 PolarHBondContact O-N 3.24Å; D337-Y340 PolarHBondContact OD1-N 3.45Å
341R90.6Very high82.3Confident47 Ų4738 Ų3818%0.17720%0.2CC..  trans-73132.4172.1-173.9-179.1-65.6-167.8-10.3109.7D97 D308 V336 D337 N339D97-R341 IonicContact OD2-CZ 3.36Å; D97-R341 VanDerWaalsContact OD2-CZ 3.22Å; D97-R341 IonicContact OD2-NH1 3.27Å; D97-R341 PolarHBondContact OD2-NH1 3.35Å; D97-R341 IonicContact OD2-NH2 3.7Å; D97-R341 PolarHBondContact OD2-NH2 2.99Å; D308-R341 WeakPolarHBondContact OD2-CA 3.42Å; V336-R341 WeakPolarHBondContact CA-O 3.42Å; D337-R341 PolarHBondContact N-O 3.03Å; D337-R341 VanDerWaalsContact N-O 3.16Å; D337-R341 WeakPolarHBondContact OD1-CB 3.45Å; D337-R341 PolarHBondContact OD1-N 3.37Å; D337-R341 WeakPolarHBondContact OD2-CB 3.37Å; N339-R341 PolarHBondContact O-N 2.93Å
342V96.1Very high80Confident0 Ų038.2 Ų38.20%020%0.201CC..EExtended strand (participates in β ladder)trans-91131.4178-171.70000110.7N256 M305 D308 A309 F334 L335 V336N256-V342 PolarHBondContact ND2-O 3.33Å; N256-V342 VanDerWaalsContact ND2-O 3.12Å; M305-V342 HydrophobicContact CB-CG2 3.67Å; M305-V342 HydrophobicContact CE-CG2 4.23Å; M305-V342 HydrophobicContact CG-CG2 3.78Å; D308-V342 HydrophobicContact CB-CB 3.58Å; D308-V342 HydrophobicContact CB-CG2 4.15Å; D308-V342 PolarHBondContact OD2-N 3.28Å; A309-V342 HydrophobicContact CB-CG1 4.28Å; F334-V342 HydrophobicContact CB-CG1 3.62Å; F334-V342 HydrophobicContact CD1-CG1 3.66Å; F334-V342 HydrophobicContact CG-CG1 3.95Å; L335-V342 WeakPolarHBondContact O-CA 3.35Å; V336-V342 HydrophobicContact CG2-CG2 4.35Å
343K94.5Very high77.9Confident12 Ų1236.9 Ų36.95%0.05219%0.188CC..EExtended strand (participates in β ladder)trans-126.7123.2-177.1-71.5158.9171-690110.1P255 N256 E280 F334 L335 G345P255-K343 WeakPolarHBondContact O-CG 3.48Å; P255-K343 PolarHBondContact O-NZ 3.43Å; N256-K343 CarbonylContact O-C 3.6Å; N256-K343 WeakPolarHBondContact O-CA 3.4Å; E280-K343 WeakPolarHBondContact OE1-CD 3.15Å; E280-K343 WeakPolarHBondContact OE1-CE 3.33Å; E280-K343 IonicContact OE1-NZ 3.44Å; E280-K343 PolarHBondContact OE1-NZ 3.24Å; E280-K343 VanDerWaalsContact OE2-CE 3.25Å; E280-K343 WeakPolarHBondContact OE2-CE 3.17Å; E280-K343 IonicContact OE2-NZ 3.97Å; E280-K343 PolarHBondContact OE2-NZ 3.37Å; F334-K343 CarbonylContact C-O 3.5Å; F334-K343 WeakPolarHBondContact CA-O 3.19Å; L335-K343 PolarHBondContact N-O 2.72Å; L335-K343 PolarHBondContact O-N 3.09Å; K343-G345 PolarHBondContact O-N 3.45Å
344L93.6Very high75.6Confident0 Ų038.2 Ų38.20%020%0.201CC..EExtended strand (participates in β ladder)trans-75.1111.9175.2-178.555.2000109.7N256 I257 L258 L316 I329 K333 F334 L347N256-L344 PolarHBondContact O-N 3.4Å; I257-L344 HydrophobicContact CD1-CB 3.85Å; I257-L344 HydrophobicContact CD1-CD2 4.16Å; I257-L344 HydrophobicContact CD1-CG 4.31Å; L258-L344 PolarHBondContact N-O 3.21Å; L316-L344 HydrophobicContact CD1-CD2 3.59Å; L316-L344 HydrophobicContact CG-CD2 4.34Å; I329-L344 HydrophobicContact CD1-CD1 4Å; I329-L344 HydrophobicContact CD1-CD2 4.26Å; K333-L344 HydrophobicContact CB-CD1 4.44Å; F334-L344 HydrophobicContact CD1-CB 4.01Å; F334-L344 HydrophobicContact CD1-CD1 3.97Å; F334-L344 HydrophobicContact CE1-CB 3.82Å; F334-L344 HydrophobicContact CE1-CD1 3.65Å; F334-L344 HydrophobicContact CE1-CD2 4.4Å; F334-L344 HydrophobicContact CE1-CG 4.16Å; F334-L344 HydrophobicContact CE2-CD1 4.24Å; F334-L344 HydrophobicContact CG-CD1 4.42Å; F334-L344 HydrophobicContact CZ-CD1 3.79Å; L344-L347 HydrophobicContact CD2-CD2 4.45Å; L344-L347 HydrophobicContact CG-CD2 4.25Å
345G89.3Confident73.3Confident3 Ų340.5 Ų40.53%0.03122%0.216CC..  trans-102.4-171.2171.700000111.5H326 K333 K343 L347H326-G345 PolarHBondContact NE2-O 3.24Å; K333-G345 WeakPolarHBondContact O-CA 3.26Å; K333-G345 PolarHBondContact O-N 3.12Å; K343-G345 PolarHBondContact O-N 3.45Å; G345-L347 VanDerWaalsContact C-N 3.29Å; G345-L347 PolarHBondContact O-N 3.07Å
346G78.9Confident71Confident26 Ų2640 Ų4027%0.26821%0.214SC..  trans68.426.1175.300000114.7H326 E348H326-G346 PolarHBondContact CE1-O 2.74Å; G346-E348 PolarHBondContact O-N 2.78Å
347L74.3Confident68.7Low14 Ų1443 Ų437%0.07323%0.227CC..  trans-67.13.5173-58.2-172.2000113.9M249 I257 L316 L344 G345 L349M249-L347 HydrophobicContact CE-CD1 4.39Å; M249-L347 HydrophobicContact SD-CB 3.89Å; M249-L347 HydrophobicContact SD-CD1 3.76Å; M249-L347 HydrophobicContact SD-CG 4.24Å; I257-L347 HydrophobicContact CD1-CD1 4.39Å; I257-L347 HydrophobicContact CG2-CD1 3.54Å; L316-L347 HydrophobicContact CD1-CD2 3.5Å; L316-L347 HydrophobicContact CD2-CD1 3.98Å; L316-L347 HydrophobicContact CD2-CD2 3.76Å; L316-L347 HydrophobicContact CG-CD2 4.17Å; L344-L347 HydrophobicContact CD2-CD2 4.45Å; L344-L347 HydrophobicContact CG-CD2 4.25Å; G345-L347 VanDerWaalsContact C-N 3.29Å; G345-L347 PolarHBondContact O-N 3.07Å; L347-L349 PolarHBondContact O-N 3.42Å
348E62.7Low66.5Low25 Ų2552.6 Ų52.612%0.11726%0.262CS..  trans-47.8116.3167.1-79.3158.6-124.800108.4K228 Y230 E245 G346 A350K228-E348 IonicContact NZ-OE1 3.25Å; K228-E348 PolarHBondContact NZ-OE1 3.47Å; K228-E348 IonicContact NZ-OE2 2.76Å; K228-E348 PolarHBondContact NZ-OE2 3.27Å; Y230-E348 WeakPolarHBondContact OH-CG 3.35Å; Y230-E348 PolarHBondContact OH-OE1 3.35Å; Y230-E348 PolarHBondContact OH-OE2 3.48Å; E245-E348 WeakPolarHBondContact OE1-CG 3.27Å; G346-E348 PolarHBondContact O-N 2.78Å; E348-A350 PolarHBondContact O-N 2.97Å; E348-A350 VanDerWaalsContact O-N 3.15Å
349L51.7Low64.1Low44 Ų4454 Ų5423%0.2328%0.278CS..  trans-49130.6172.1-73.2163.7000106.8L347 K351 T352L347-L349 PolarHBondContact O-N 3.42Å; L349-K351 HydrophobicContact CB-CB 4.23Å; L349-K351 CarbonylContact O-C 3.48Å; L349-K351 PolarHBondContact O-N 2.92Å; L349-T352 WeakPolarHBondContact O-CA 3.02Å; L349-T352 VanDerWaalsContact O-CB 3.28Å; L349-T352 WeakPolarHBondContact O-CB 3.46Å; L349-T352 PolarHBondContact O-N 3.26Å; L349-T352 PolarHBondContact O-OG1 3.06Å
350A42.6Very low61.8Low45 Ų4553.4 Ų53.437%0.37228%0.278SS..Hα-helixtrans-49.1-21.8170.200000112.2M327 E348 T354M327-A350 HydrophobicContact CE-CB 3.66Å; M327-A350 HydrophobicContact SD-CB 4.41Å; E348-A350 PolarHBondContact O-N 2.97Å; E348-A350 VanDerWaalsContact O-N 3.15Å; A350-T354 WeakPolarHBondContact O-CB 3.07Å; A350-T354 WeakPolarHBondContact O-CG2 3.42Å; A350-T354 PolarHBondContact O-N 3.29Å; A350-T354 VanDerWaalsContact O-N 3.1Å; A350-T354 PolarHBondContact O-OG1 3.33Å
351K43.6Very low59.3Low157 Ų15762.5 Ų62.568%0.68332%0.319SS*.Hα-helixtrans-67.6-34.5170.2-67.6-174.21801780114.8L349 T354 S355L349-K351 HydrophobicContact CB-CB 4.23Å; L349-K351 CarbonylContact O-C 3.48Å; L349-K351 PolarHBondContact O-N 2.92Å; K351-T354 VanDerWaalsContact CA-OG1 3.23Å; K351-T354 WeakPolarHBondContact CA-OG1 3.05Å; K351-T354 PolarHBondContact O-OG1 3.39Å; K351-S355 WeakPolarHBondContact O-CB 3.47Å; K351-S355 PolarHBondContact O-N 3.16Å; K351-S355 PolarHBondContact O-OG 3.03Å
352T47.3Very low56.6Low4 Ų462 Ų623%0.02533%0.327CS..Hα-helixtrans-65-53.7176.8-51.60000110.1V241 L349 T354 S355 L356V241-T352 HydrophobicContact CG1-CG2 3.14Å; V241-T352 WeakPolarHBondContact CG1-OG1 3.44Å; L349-T352 WeakPolarHBondContact O-CA 3.02Å; L349-T352 VanDerWaalsContact O-CB 3.28Å; L349-T352 WeakPolarHBondContact O-CB 3.46Å; L349-T352 PolarHBondContact O-N 3.26Å; L349-T352 PolarHBondContact O-OG1 3.06Å; T352-T354 PolarHBondContact O-N 3.19Å; T352-S355 PolarHBondContact O-N 3.04Å; T352-L356 HydrophobicContact CG2-CD1 4.2Å; T352-L356 WeakPolarHBondContact O-CB 3.25Å; T352-L356 VanDerWaalsContact O-CG 3.26Å; T352-L356 WeakPolarHBondContact O-CG 3.29Å; T352-L356 PolarHBondContact O-N 3.24Å; T352-L356 VanDerWaalsContact O-N 3.11Å
353E46.3Very low53.7Low39 Ų3971 Ų7118%0.18237%0.367CS..Hα-helixtrans-62.7-42176.5-72.4-166178.900111.4L356 K357E353-L356 CarbonylContact O-C 3.57Å; E353-L356 PolarHBondContact O-N 3Å; E353-K357 HydrophobicContact CB-CD 4.16Å; E353-K357 WeakPolarHBondContact O-CA 3.41Å; E353-K357 WeakPolarHBondContact O-CB 3.44Å; E353-K357 WeakPolarHBondContact O-CD 3.41Å; E353-K357 WeakPolarHBondContact O-CG 3.48Å; E353-K357 PolarHBondContact O-N 2.91Å; E353-K357 IonicContact OE2-NZ 2.94Å; E353-K357 PolarHBondContact OE2-NZ 3.26Å
354T44.9Very low51Low83 Ų8374.7 Ų74.751%0.50938%0.384SS..Hα-helixtrans-72.4-31.1179.246.50000114.2A350 K351 T352 L356 K357A350-T354 WeakPolarHBondContact O-CB 3.07Å; A350-T354 WeakPolarHBondContact O-CG2 3.42Å; A350-T354 PolarHBondContact O-N 3.29Å; A350-T354 VanDerWaalsContact O-N 3.1Å; A350-T354 PolarHBondContact O-OG1 3.33Å; K351-T354 VanDerWaalsContact CA-OG1 3.23Å; K351-T354 WeakPolarHBondContact CA-OG1 3.05Å; K351-T354 PolarHBondContact O-OG1 3.39Å; T352-T354 PolarHBondContact O-N 3.19Å; T354-L356 VanDerWaalsContact C-N 3.29Å; T354-K357 CarbonylContact O-C 3.52Å; T354-K357 PolarHBondContact O-N 2.99Å
355S46.5Very low48.6Very low47 Ų4781.9 Ų81.933%0.32942%0.422SS..Hα-helixtrans-71.3-28.2175.1-60.60000111.7M237 K351 T352M237-S355 WeakPolarHBondContact CE-O 3.4Å; K351-S355 WeakPolarHBondContact O-CB 3.47Å; K351-S355 PolarHBondContact O-N 3.16Å; K351-S355 PolarHBondContact O-OG 3.03Å; T352-S355 PolarHBondContact O-N 3.04Å
356L47.7Very low46.6Very low29 Ų2989.6 Ų89.615%0.15246%0.455CS..Hα-helixtrans-86.9-31.4172.8-63.3171.4000112.1Y230 A233 V238 T352 E353 T354 R358Y230-L356 HydrophobicContact CD1-CD1 3.76Å; Y230-L356 HydrophobicContact CE1-CD1 4.07Å; A233-L356 HydrophobicContact CB-CD2 3.61Å; V238-L356 HydrophobicContact CG2-CD2 4.25Å; T352-L356 HydrophobicContact CG2-CD1 4.2Å; T352-L356 WeakPolarHBondContact O-CB 3.25Å; T352-L356 VanDerWaalsContact O-CG 3.26Å; T352-L356 WeakPolarHBondContact O-CG 3.29Å; T352-L356 PolarHBondContact O-N 3.24Å; T352-L356 VanDerWaalsContact O-N 3.11Å; E353-L356 CarbonylContact O-C 3.57Å; E353-L356 PolarHBondContact O-N 3Å; T354-L356 VanDerWaalsContact C-N 3.29Å; L356-R358 PolarHBondContact O-N 2.92Å; L356-R358 VanDerWaalsContact O-N 3.07Å
357K47.4Very low45.6Very low61 Ų6191.9 Ų91.927%0.26546%0.464SS..  trans-80.774.2174.6-71167.9173.2175.20110.4T212 E353 T354 E364T212-K357 HydrophobicContact CG2-CD 4.41Å; T212-K357 HydrophobicContact CG2-CG 3.67Å; E353-K357 HydrophobicContact CB-CD 4.16Å; E353-K357 WeakPolarHBondContact O-CA 3.41Å; E353-K357 WeakPolarHBondContact O-CB 3.44Å; E353-K357 WeakPolarHBondContact O-CD 3.41Å; E353-K357 WeakPolarHBondContact O-CG 3.48Å; E353-K357 PolarHBondContact O-N 2.91Å; E353-K357 IonicContact OE2-NZ 2.94Å; E353-K357 PolarHBondContact OE2-NZ 3.26Å; T354-K357 CarbonylContact O-C 3.52Å; T354-K357 PolarHBondContact O-N 2.99Å; K357-E364 IonicContact NZ-OE1 2.75Å; K357-E364 PolarHBondContact NZ-OE1 3.08Å
358R42.3Very low45Very low222 Ų22292.9 Ų92.984%0.83847%0.469SS*.SBendtrans-119.563.6156.5-73.9-173.1106.1167.15.6110.5L356L356-R358 PolarHBondContact O-N 2.92Å; L356-R358 VanDerWaalsContact O-N 3.07Å
359T37Very low45.8Very low142 Ų14293.1 Ų93.187%0.87147%0.474SS*.SBendtrans175.32.3147.122.90000117.3
360T33.3Very low47.2Very low88 Ų8895.5 Ų95.554%0.5449%0.486SS..  trans-115.3106.4-177.646.60000112.1G362T360-G362 PolarHBondContact O-N 2.71Å
361K34.3Very low49.3Very low225 Ų22596.3 Ų96.398%0.97848%0.484SS*.  trans-66.367.5148.7-79.7-176.1176.2179.70107.4
362G33.6Very low51.6Low35 Ų3589 Ų8936%0.36145%0.453SS..  trans-78.7132.5175.500000108.8T360 E364T360-G362 PolarHBondContact O-N 2.71Å; G362-E364 VanDerWaalsContact C-N 3.29Å; G362-E364 PolarHBondContact O-N 2.82Å
363K35.6Very low53.9Low191 Ų19189.3 Ų89.383%0.8345%0.453SS*.  trans-60.296.2162.8-73.5175.9174.6179.20106.9
364E39.2Very low56.2Low89 Ų8988.3 Ų88.342%0.41645%0.451SS..  trans-55.7151.2155.4-77.7174.3-175.800107.5K357 G362 K366K357-E364 IonicContact NZ-OE1 2.75Å; K357-E364 PolarHBondContact NZ-OE1 3.08Å; G362-E364 VanDerWaalsContact C-N 3.29Å; G362-E364 PolarHBondContact O-N 2.82Å; E364-K366 WeakPolarHBondContact O-CG 3.47Å; E364-K366 PolarHBondContact O-N 2.87Å
365D42.2Very low58.6Low150 Ų15084.4 Ų84.480%0.80243%0.427SS*.  trans-56.986.7-176.4-160.4-5.5000110.2T367D365-T367 PolarHBondContact O-N 3.47Å
366K47.8Very low61Low166 Ų16682.2 Ų82.272%0.72241%0.412SS*.THydrogen-bonded Turntrans-75.463.2-173.6-80.4-170.1172.6-163.20109.5E364E364-K366 WeakPolarHBondContact O-CG 3.47Å; E364-K366 PolarHBondContact O-N 2.87Å
367T57.9Low63.2Low73 Ų7382.1 Ų82.145%0.44841%0.41SS..THydrogen-bonded Turntrans-92.4-26.6168.2-560000111D365 K407D365-T367 PolarHBondContact O-N 3.47Å; T367-K407 HydrophobicContact CG2-CD 4.27Å
368I62.2Low65.4Low35 Ų3581.3 Ų81.318%0.17941%0.408CS..SBendtrans-142.5125.9176.1-56.6168.6000109.1C372 Y373 K407 P408I368-C372 HydrophobicContact CG2-CB 4.02Å; I368-Y373 HydrophobicContact CG2-CE2 3.7Å; I368-K407 HydrophobicContact CD1-CB 4.24Å; I368-K407 HydrophobicContact CD1-CD 4.49Å; I368-K407 HydrophobicContact CD1-CG 4.07Å; I368-K407 HydrophobicContact CG1-CB 4.3Å; I368-K407 HydrophobicContact CG1-CD 4.22Å; I368-K407 HydrophobicContact CG1-CG 4.27Å; I368-P408 HydrophobicContact CG2-CG 3.69Å
369S78.4Confident67.8Low31 Ų3172.2 Ų72.222%0.21738%0.375CS..  trans-63.7134.4176.7178.90000111.1L371 C372 D416S369-L371 PolarHBondContact O-N 2.85Å; S369-L371 VanDerWaalsContact O-N 3.09Å; S369-L371 PolarHBondContact OG-N 2.86Å; S369-C372 WeakPolarHBondContact O-CB 3.34Å; S369-C372 PolarHBondContact O-N 2.7Å; S369-C372 PolarHBondContact O-SG 3.32Å; S369-D416 WeakPolarHBondContact CB-OD1 3.19Å; S369-D416 PolarHBondContact OG-OD1 3.07Å
370L81.8Confident70.3Confident94 Ų9469.2 Ų69.249%0.49236%0.36SS..G310 helixtrans-55.5-26.6173.5-86.8132.8000112.3T330 C372 Y373T330-L370 HydrophobicContact CG2-CD2 4.32Å; L370-C372 PolarHBondContact O-N 3.12Å; L370-Y373 PolarHBondContact O-N 3.41Å; L370-Y373 VanDerWaalsContact O-N 3.08Å
371L86.4Confident72.9Confident61 Ų6168.7 Ų68.732%0.31935%0.354SS..G310 helixtrans-66.6-21177.1-63.2-179.9000113.1S369 Y373 S374 L379 D416S369-L371 PolarHBondContact O-N 2.85Å; S369-L371 VanDerWaalsContact O-N 3.09Å; S369-L371 PolarHBondContact OG-N 2.86Å; L371-Y373 PolarHBondContact O-N 3.15Å; L371-S374 PolarHBondContact O-N 3.01Å; L371-L379 HydrophobicContact CB-CD2 4.17Å; L371-L379 HydrophobicContact CD2-CD2 3.71Å; L371-L379 HydrophobicContact CG-CD2 4.39Å; L371-D416 HydrophobicContact CD1-CB 3.59Å; L371-D416 VanDerWaalsContact CD1-CG 3.45Å
372C92.4Very high75.2Confident5 Ų565.7 Ų65.73%0.03435%0.347CS..G310 helixtrans-61.3-24.2171.7-58.70000112.6I368 S369 L370 P408 F409I368-C372 HydrophobicContact CG2-CB 4.02Å; S369-C372 WeakPolarHBondContact O-CB 3.34Å; S369-C372 PolarHBondContact O-N 2.7Å; S369-C372 PolarHBondContact O-SG 3.32Å; L370-C372 PolarHBondContact O-N 3.12Å; C372-P408 HydrophobicContact CB-CB 4.11Å; C372-P408 HydrophobicContact CB-CG 3.78Å; C372-F409 HydrophobicContact CB-CD2 3.88Å; C372-F409 HydrophobicContact CB-CE2 4.4Å
373Y94.9Very high77.7Confident9 Ų970.7 Ų70.74%0.03537%0.366CS..G310 helixtrans-100.2-7.8-179.3-59.1-90.7000112.9T330 S331 I368 L370 L371 S394 I397 V398 E401T330-Y373 HydrophobicContact CG2-CD1 4.38Å; T330-Y373 HydrophobicContact CG2-CD2 3.74Å; T330-Y373 HydrophobicContact CG2-CE1 4.43Å; T330-Y373 HydrophobicContact CG2-CE2 3.79Å; T330-Y373 HydrophobicContact CG2-CG 4.04Å; S331-Y373 PolarHBondContact OG-OH 3.43Å; S331-Y373 VanDerWaalsContact OG-OH 3.08Å; I368-Y373 HydrophobicContact CG2-CE2 3.7Å; L370-Y373 PolarHBondContact O-N 3.41Å; L370-Y373 VanDerWaalsContact O-N 3.08Å; L371-Y373 PolarHBondContact O-N 3.15Å; Y373-S394 WeakPolarHBondContact O-CA 3.48Å; Y373-S394 WeakPolarHBondContact O-CB 3.37Å; Y373-S394 PolarHBondContact O-OG 3.48Å; Y373-I397 HydrophobicContact CD1-CB 3.91Å; Y373-I397 HydrophobicContact CD1-CG2 3.67Å; Y373-I397 HydrophobicContact CE1-CB 4.35Å; Y373-I397 HydrophobicContact CE1-CG2 3.76Å; Y373-I397 HydrophobicContact CG-CG2 4.42Å; Y373-V398 HydrophobicContact CD1-CG2 4.28Å; Y373-V398 HydrophobicContact CE1-CG2 3.91Å; Y373-E401 VanDerWaalsContact CE1-OE2 3.29Å; Y373-E401 WeakPolarHBondContact CE1-OE2 3.4Å; Y373-E401 PolarHBondContact OH-OE1 2.93Å; Y373-E401 PolarHBondContact OH-OE2 3.3Å; Y373-E401 VanDerWaalsContact OH-OE2 3.08Å
374S94.1Very high80.2Confident19 Ų1964.6 Ų64.613%0.13334%0.34CS..  trans-76.2135.1-177.3-69.90000111.3L371 Y393L371-S374 PolarHBondContact O-N 3.01Å; S374-Y393 WeakPolarHBondContact O-CE1 3.28Å
375S95.9Very high82.5Confident0 Ų063.6 Ų63.60%035%0.347CS..  trans-67.8158176.274.20000112.2Q377 Q378 L379 Y393S375-Q377 PolarHBondContact O-N 2.88Å; S375-Q377 VanDerWaalsContact O-N 3.14Å; S375-Q378 WeakPolarHBondContact O-CB 3.4Å; S375-Q378 PolarHBondContact O-N 3.49Å; S375-Q378 WeakPolarHBondContact OG-CG 3.49Å; S375-Q378 PolarHBondContact OG-OE1 3.15Å; S375-Q378 VanDerWaalsContact OG-OE1 3.08Å; S375-L379 PolarHBondContact O-N 3.44Å; S375-L379 VanDerWaalsContact O-N 3.07Å; S375-Y393 VanDerWaalsContact CA-CD1 3.43Å
376P96.3Very high84.7Confident2 Ų259.3 Ų59.31%0.01332%0.32CS..Hα-helixtrans-53.9-36177.9-22.629000113.1L379 S380 Y393 V423 Y450P376-L379 PolarHBondContact O-N 3.31Å; P376-S380 VanDerWaalsContact O-CB 3.31Å; P376-S380 WeakPolarHBondContact O-CB 3.35Å; P376-S380 PolarHBondContact O-N 2.93Å; P376-S380 PolarHBondContact O-OG 3.19Å; P376-Y393 HydrophobicContact CG-CE2 4.23Å; P376-V423 HydrophobicContact CB-CG1 4.05Å; P376-V423 HydrophobicContact CG-CG1 3.69Å; P376-Y450 HydrophobicContact CB-CD2 3.83Å; P376-Y450 HydrophobicContact CB-CE2 3.58Å; P376-Y450 HydrophobicContact CG-CD2 3.74Å; P376-Y450 HydrophobicContact CG-CE2 4.04Å; P376-Y450 HydrophobicContact CG-CG 4.4Å
377Q95.3Very high86.7Confident27 Ų2753.4 Ų53.413%0.12630%0.298CS..Hα-helixtrans-68.5-37179.5-66.371.338.100112.1S375 S380 N381 Y450S375-Q377 PolarHBondContact O-N 2.88Å; S375-Q377 VanDerWaalsContact O-N 3.14Å; Q377-S380 WeakPolarHBondContact CA-OG 3.15Å; Q377-S380 PolarHBondContact O-OG 3.42Å; Q377-N381 PolarHBondContact O-N 2.81Å; Q377-N381 VanDerWaalsContact O-N 3.12Å; Q377-Y450 PolarHBondContact NE2-O 3.18Å
378Q93.3Very high88.3Confident44 Ų4452.8 Ų52.821%0.20629%0.289CS..Hα-helixtrans-69.3-37.9175.2-68.2173-90.400112.2S375 Y386S375-Q378 WeakPolarHBondContact O-CB 3.4Å; S375-Q378 PolarHBondContact O-N 3.49Å; S375-Q378 WeakPolarHBondContact OG-CG 3.49Å; S375-Q378 PolarHBondContact OG-OE1 3.15Å; S375-Q378 VanDerWaalsContact OG-OE1 3.08Å; Q378-Y386 VanDerWaalsContact NE2-CD2 3.3Å; Q378-Y386 VanDerWaalsContact NE2-CE2 3.27Å
379L91.6Very high89.8Confident30 Ų3054.7 Ų54.716%0.15730%0.297CS..Hα-helixtrans-74-36.5-179.8-68.3176.8000112.3L371 S375 P376 V423 C424L371-L379 HydrophobicContact CB-CD2 4.17Å; L371-L379 HydrophobicContact CD2-CD2 3.71Å; L371-L379 HydrophobicContact CG-CD2 4.39Å; S375-L379 PolarHBondContact O-N 3.44Å; S375-L379 VanDerWaalsContact O-N 3.07Å; P376-L379 PolarHBondContact O-N 3.31Å; L379-V423 HydrophobicContact CD1-CB 3.92Å; L379-V423 HydrophobicContact CD1-CG1 3.8Å; L379-V423 HydrophobicContact CD1-CG2 4.37Å; L379-C424 WeakPolarHBondContact CB-SG 3.35Å
380S90Very high90.6Very high80 Ų8053.2 Ų53.256%0.55929%0.287SS*.Hα-helixtrans-81.2-24.4-179.455.10000113.9P376 Q377P376-S380 VanDerWaalsContact O-CB 3.31Å; P376-S380 WeakPolarHBondContact O-CB 3.35Å; P376-S380 PolarHBondContact O-N 2.93Å; P376-S380 PolarHBondContact O-OG 3.19Å; Q377-S380 WeakPolarHBondContact CA-OG 3.15Å; Q377-S380 PolarHBondContact O-OG 3.42Å
381N88.6Confident91.2Very high76 Ų7648.7 Ų48.741%0.40626%0.263SS..  trans-140.1109.2-179.3-178.52.8000111.7Q377 N383 H384Q377-N381 PolarHBondContact O-N 2.81Å; Q377-N381 VanDerWaalsContact O-N 3.12Å; N381-N383 PolarHBondContact O-N 3.08Å; N381-N383 VanDerWaalsContact O-N 3.13Å; N381-N383 WeakPolarHBondContact OD1-CB 3.36Å; N381-N383 PolarHBondContact OD1-N 3.13Å; N381-H384 HydrophobicContact CB-CB 4.23Å; N381-H384 WeakPolarHBondContact O-CB 3.25Å; N381-H384 PolarHBondContact O-N 3.33Å
382I82.8Confident91.8Very high162 Ų16246 Ų4683%0.83125%0.249SC*.THydrogen-bonded Turntrans-60.8-22.8178.1-164.1166.2000113.8
383N85.3Confident92.1Very high141 Ų14146 Ų4675%0.75425%0.248SC*.THydrogen-bonded Turntrans-934.4178-61.2-40.8000112.7N381 A385N381-N383 PolarHBondContact O-N 3.08Å; N381-N383 VanDerWaalsContact O-N 3.13Å; N381-N383 WeakPolarHBondContact OD1-CB 3.36Å; N381-N383 PolarHBondContact OD1-N 3.13Å; N383-A385 PolarHBondContact O-N 2.81Å
384H88.1Confident92.2Very high63 Ų6345.8 Ų45.829%0.29225%0.248SC..PPolyproline II helixtrans-64.1126176.4-172.771.4000110.2N381N381-H384 HydrophobicContact CB-CB 4.23Å; N381-H384 WeakPolarHBondContact O-CB 3.25Å; N381-H384 PolarHBondContact O-N 3.33Å
385A87.7Confident92.4Very high68 Ų6844.9 Ų44.956%0.56224%0.242SC*.PPolyproline II helixtrans-63.5138.4176.400000110N383 T387N383-A385 PolarHBondContact O-N 2.81Å; A385-T387 WeakPolarHBondContact O-CG2 3.48Å; A385-T387 PolarHBondContact O-N 3.08Å
386Y87.2Confident92.6Very high60 Ų6044.9 Ų44.924%0.23524%0.242CC..PPolyproline II helixtrans-74.5122.7174.4-163-95.2000109.4L325 M327 Q378 C390 E391L325-Y386 HydrophobicContact CB-CD1 4.07Å; L325-Y386 HydrophobicContact CB-CE1 4.17Å; L325-Y386 HydrophobicContact CD1-CD1 3.69Å; L325-Y386 HydrophobicContact CD1-CE1 4.43Å; L325-Y386 WeakPolarHBondContact CD1-O 3.2Å; L325-Y386 HydrophobicContact CG-CD1 4.43Å; M327-Y386 VanDerWaalsContact CA-CE1 3.47Å; M327-Y386 HydrophobicContact CB-CD1 4.44Å; M327-Y386 HydrophobicContact CB-CE1 4.19Å; M327-Y386 HydrophobicContact CG-CD1 3.97Å; M327-Y386 HydrophobicContact CG-CE1 4.08Å; Q378-Y386 VanDerWaalsContact NE2-CD2 3.3Å; Q378-Y386 VanDerWaalsContact NE2-CE2 3.27Å; Y386-C390 HydrophobicContact CD2-CB 4.07Å; Y386-C390 HydrophobicContact CE2-CB 3.93Å; Y386-C390 HydrophobicContact CG-CB 4.47Å; Y386-E391 HydrophobicContact CD1-CG 4.41Å; Y386-E391 HydrophobicContact CE1-CG 3.34Å; Y386-E391 WeakPolarHBondContact OH-CG 3.23Å
387T90.5Very high92.7Very high41 Ų4144.9 Ų44.925%0.25224%0.242SC..  trans-124.2173.6-175730000112.3A385 E389 C390 E391A385-T387 WeakPolarHBondContact O-CG2 3.48Å; A385-T387 PolarHBondContact O-N 3.08Å; T387-E389 WeakPolarHBondContact CB-OE2 3.02Å; T387-E389 PolarHBondContact O-N 3.32Å; T387-E389 PolarHBondContact OG1-N 3.14Å; T387-E389 PolarHBondContact OG1-OE2 2.94Å; T387-C390 VanDerWaalsContact O-CB 3.3Å; T387-C390 WeakPolarHBondContact O-CB 3.25Å; T387-C390 PolarHBondContact O-N 2.83Å; T387-C390 VanDerWaalsContact O-N 3.11Å; T387-C390 PolarHBondContact OG1-N 3.38Å; T387-E391 PolarHBondContact O-N 3.32Å
388K91.9Very high92.8Very high61 Ų6143.6 Ų43.627%0.26524%0.236SC..Hα-helixtrans-57.6-38.3173.6-70.4-176176.3-175.10111.6H317 S323 L325 C390 E391 I392H317-K388 HydrophobicContact CB-CD 4.49Å; H317-K388 PolarHBondContact O-NZ 3.18Å; S323-K388 WeakPolarHBondContact OG-CE 3.44Å; L325-K388 HydrophobicContact CD2-CB 4.41Å; L325-K388 HydrophobicContact CD2-CG 3.72Å; K388-C390 VanDerWaalsContact C-N 3.25Å; K388-C390 PolarHBondContact O-N 3.01Å; K388-E391 WeakPolarHBondContact O-CB 3.47Å; K388-E391 PolarHBondContact O-N 2.82Å; K388-I392 WeakPolarHBondContact O-CG1 2.98Å; K388-I392 PolarHBondContact O-N 2.68Å
389E94.6Very high93.1Very high74 Ų7441.5 Ų41.535%0.34623%0.226SC..Hα-helixtrans-67.9-26.6180-56.769.9-149.600111.9T387 Y393 R455T387-E389 WeakPolarHBondContact CB-OE2 3.02Å; T387-E389 PolarHBondContact O-N 3.32Å; T387-E389 PolarHBondContact OG1-N 3.14Å; T387-E389 PolarHBondContact OG1-OE2 2.94Å; E389-Y393 PolarHBondContact O-N 2.85Å; E389-R455 VanDerWaalsContact O-CD 3.31Å; E389-R455 WeakPolarHBondContact O-CD 3.48Å; E389-R455 PolarHBondContact O-NH1 3.32Å
390C94.6Very high93.4Very high0 Ų040.2 Ų40.20%022%0.219CC..Hα-helixtrans-66-44.3169-63.70000110.4Y386 T387 K388 I392 Y393 S394Y386-C390 HydrophobicContact CD2-CB 4.07Å; Y386-C390 HydrophobicContact CE2-CB 3.93Å; Y386-C390 HydrophobicContact CG-CB 4.47Å; T387-C390 VanDerWaalsContact O-CB 3.3Å; T387-C390 WeakPolarHBondContact O-CB 3.25Å; T387-C390 PolarHBondContact O-N 2.83Å; T387-C390 VanDerWaalsContact O-N 3.11Å; T387-C390 PolarHBondContact OG1-N 3.38Å; K388-C390 VanDerWaalsContact C-N 3.25Å; K388-C390 PolarHBondContact O-N 3.01Å; C390-I392 PolarHBondContact O-N 3.49Å; C390-Y393 WeakPolarHBondContact O-CB 3.06Å; C390-Y393 PolarHBondContact O-N 2.65Å; C390-S394 PolarHBondContact O-N 2.71Å; C390-S394 PolarHBondContact O-OG 3.45Å
391E94.7Very high93.8Very high0 Ų036.4 Ų36.40%019%0.192CC..Hα-helixtrans-66.7-36.4178.2-58.5-159.2122.300113L313 H317 L325 H326 M327 I329 Y386 T387 K388 Y393 S394 L395L313-E391 HydrophobicContact CD1-CB 4.22Å; L313-E391 HydrophobicContact CD2-CB 4.14Å; H317-E391 IonicContact CD2-OE2 2.74Å; H317-E391 PolarHBondContact CD2-OE2 3.18Å; H317-E391 IonicContact CE1-OE2 3.07Å; H317-E391 IonicContact NE2-OE2 3.49Å; H317-E391 PolarHBondContact NE2-OE2 3.26Å; L325-E391 WeakPolarHBondContact CA-OE2 3.32Å; L325-E391 HydrophobicContact CD2-CG 4.37Å; L325-E391 VanDerWaalsContact CD2-OE2 3.25Å; L325-E391 WeakPolarHBondContact CD2-OE2 3.39Å; H326-E391 VanDerWaalsContact CA-OE1 3.25Å; H326-E391 WeakPolarHBondContact CA-OE1 3.44Å; H326-E391 VanDerWaalsContact CB-OE1 3.23Å; H326-E391 WeakPolarHBondContact CB-OE1 3.19Å; H326-E391 PolarHBondContact N-OE1 2.77Å; M327-E391 PolarHBondContact N-OE1 3.32Å; I329-E391 HydrophobicContact CG1-CB 4.46Å; Y386-E391 HydrophobicContact CD1-CG 4.41Å; Y386-E391 HydrophobicContact CE1-CG 3.34Å; Y386-E391 WeakPolarHBondContact OH-CG 3.23Å; T387-E391 PolarHBondContact O-N 3.32Å; K388-E391 WeakPolarHBondContact O-CB 3.47Å; K388-E391 PolarHBondContact O-N 2.82Å; E391-Y393 VanDerWaalsContact C-N 3.27Å; E391-Y393 PolarHBondContact O-N 3.15Å; E391-S394 PolarHBondContact O-N 3.45Å; E391-L395 WeakPolarHBondContact O-CB 3.11Å; E391-L395 PolarHBondContact O-N 3.1Å
392I97.9Very high94.3Very high3 Ų332.8 Ų32.82%0.01517%0.173CC..Hα-helixtrans-62.9-37.6173.8-62.6-64.4000110.9L313 K388 C390 L395 G396 C447 R455 P456 A458L313-I392 HydrophobicContact CD2-CD1 4.07Å; K388-I392 WeakPolarHBondContact O-CG1 2.98Å; K388-I392 PolarHBondContact O-N 2.68Å; C390-I392 PolarHBondContact O-N 3.49Å; I392-L395 PolarHBondContact O-N 3.39Å; I392-G396 PolarHBondContact O-N 3.18Å; I392-C447 HydrophobicContact CG2-CB 4.07Å; I392-R455 HydrophobicContact CB-CB 4.43Å; I392-R455 HydrophobicContact CG2-CB 3.86Å; I392-P456 WeakPolarHBondContact CG1-O 3.32Å; I392-P456 HydrophobicContact CG2-CG 4.46Å; I392-P456 WeakPolarHBondContact CG2-O 3.32Å; I392-A458 HydrophobicContact CD1-CB 3.93Å
393Y98.5Very high95Very high6 Ų625.1 Ų25.12%0.02413%0.133CC..Hα-helixtrans-63.8-49.9174.2-175.3-84.7000111.4S374 S375 P376 E389 C390 E391 L395 G396 I397 C447 R448S374-Y393 WeakPolarHBondContact O-CE1 3.28Å; S375-Y393 VanDerWaalsContact CA-CD1 3.43Å; P376-Y393 HydrophobicContact CG-CE2 4.23Å; E389-Y393 PolarHBondContact O-N 2.85Å; C390-Y393 WeakPolarHBondContact O-CB 3.06Å; C390-Y393 PolarHBondContact O-N 2.65Å; E391-Y393 VanDerWaalsContact C-N 3.27Å; E391-Y393 PolarHBondContact O-N 3.15Å; Y393-L395 VanDerWaalsContact C-N 3.31Å; Y393-L395 PolarHBondContact O-N 3.07Å; Y393-G396 WeakPolarHBondContact O-CA 3.23Å; Y393-G396 PolarHBondContact O-N 3.23Å; Y393-I397 HydrophobicContact CD1-CG1 4.32Å; Y393-I397 HydrophobicContact CE1-CD1 4.13Å; Y393-I397 HydrophobicContact CE1-CG1 3.98Å; Y393-I397 PolarHBondContact O-N 2.97Å; Y393-I397 VanDerWaalsContact O-N 3.09Å; Y393-C447 WeakPolarHBondContact CA-O 3.37Å; Y393-R448 HydrophobicContact CE2-CB 4.27Å
394S98.1Very high95.6Very high5 Ų519.4 Ų19.44%0.03510%0.104CC..Hα-helixtrans-59-41.7177.1-54.90000112Y373 C390 E391 G396 I397 V398Y373-S394 WeakPolarHBondContact O-CA 3.48Å; Y373-S394 WeakPolarHBondContact O-CB 3.37Å; Y373-S394 PolarHBondContact O-OG 3.48Å; C390-S394 PolarHBondContact O-N 2.71Å; C390-S394 PolarHBondContact O-OG 3.45Å; E391-S394 PolarHBondContact O-N 3.45Å; S394-G396 VanDerWaalsContact C-N 3.32Å; S394-G396 PolarHBondContact O-N 2.94Å; S394-I397 WeakPolarHBondContact O-CB 3.26Å; S394-I397 PolarHBondContact O-N 3.37Å; S394-V398 PolarHBondContact O-N 3.39Å
395L98.5Very high95.9Very high0 Ų018.9 Ų18.90%010%0.099CC..Hα-helixtrans-62.2-40172.9-179.565.1000111.1A309 A310 L313 I329 F334 E391 I392 Y393 I397 V398 L399 L461A309-L395 HydrophobicContact CB-CD1 4.03Å; A310-L395 HydrophobicContact CB-CD2 4.25Å; L313-L395 HydrophobicContact CB-CD2 4.25Å; L313-L395 HydrophobicContact CD2-CB 3.94Å; L313-L395 HydrophobicContact CD2-CD2 3.63Å; L313-L395 HydrophobicContact CD2-CG 4.32Å; I329-L395 HydrophobicContact CG2-CB 4.37Å; F334-L395 HydrophobicContact CE2-CD1 4.33Å; F334-L395 HydrophobicContact CZ-CD1 3.88Å; E391-L395 WeakPolarHBondContact O-CB 3.11Å; E391-L395 PolarHBondContact O-N 3.1Å; I392-L395 PolarHBondContact O-N 3.39Å; Y393-L395 VanDerWaalsContact C-N 3.31Å; Y393-L395 PolarHBondContact O-N 3.07Å; L395-I397 VanDerWaalsContact C-N 3.26Å; L395-I397 PolarHBondContact O-N 2.82Å; L395-V398 CarbonylContact O-C 3.51Å; L395-V398 WeakPolarHBondContact O-CA 3.33Å; L395-V398 WeakPolarHBondContact O-CB 3.5Å; L395-V398 PolarHBondContact O-N 2.99Å; L395-L399 HydrophobicContact CD1-CD2 4.16Å; L395-L399 HydrophobicContact CG-CD2 4.38Å; L395-L399 HydrophobicContact CG-CG 4.29Å; L395-L399 WeakPolarHBondContact O-CG 3.34Å; L395-L399 PolarHBondContact O-N 2.88Å; L395-L461 HydrophobicContact CD2-CD2 3.65Å
396G98.7Very high96.3Very high0 Ų021.6 Ų21.60%010%0.099CC..Hα-helixtrans-57.7-36.2175.100000113.6I392 Y393 S394 L399 W400 C447I392-G396 PolarHBondContact O-N 3.18Å; Y393-G396 WeakPolarHBondContact O-CA 3.23Å; Y393-G396 PolarHBondContact O-N 3.23Å; S394-G396 VanDerWaalsContact C-N 3.32Å; S394-G396 PolarHBondContact O-N 2.94Å; G396-L399 PolarHBondContact O-N 3.44Å; G396-W400 WeakPolarHBondContact O-CB 3.29Å; G396-W400 PolarHBondContact O-N 2.62Å; G396-C447 VanDerWaalsContact CA-CB 3.49Å
397I98.6Very high96.7Very high2 Ų221.5 Ų21.51%0.0110%0.099CC..Hα-helixtrans-65.6-44.8171.5-58.7-66.3000110.4Y373 Y393 S394 L395 L399 W400 E401 P408 R448Y373-I397 HydrophobicContact CD1-CB 3.91Å; Y373-I397 HydrophobicContact CD1-CG2 3.67Å; Y373-I397 HydrophobicContact CE1-CB 4.35Å; Y373-I397 HydrophobicContact CE1-CG2 3.76Å; Y373-I397 HydrophobicContact CG-CG2 4.42Å; Y393-I397 HydrophobicContact CD1-CG1 4.32Å; Y393-I397 HydrophobicContact CE1-CD1 4.13Å; Y393-I397 HydrophobicContact CE1-CG1 3.98Å; Y393-I397 PolarHBondContact O-N 2.97Å; Y393-I397 VanDerWaalsContact O-N 3.09Å; S394-I397 WeakPolarHBondContact O-CB 3.26Å; S394-I397 PolarHBondContact O-N 3.37Å; L395-I397 VanDerWaalsContact C-N 3.26Å; L395-I397 PolarHBondContact O-N 2.82Å; I397-L399 PolarHBondContact O-N 2.71Å; I397-W400 WeakPolarHBondContact O-CB 3.36Å; I397-W400 PolarHBondContact O-N 2.84Å; I397-W400 VanDerWaalsContact O-N 3.15Å; I397-E401 WeakPolarHBondContact O-CG 3.27Å; I397-E401 PolarHBondContact O-N 2.89Å; I397-P408 HydrophobicContact CG2-CB 3.74Å; I397-P408 HydrophobicContact CG2-CG 4Å; I397-R448 HydrophobicContact CD1-CG 4.26Å
398V98.6Very high96.9Very high0 Ų019.8 Ų19.80%09%0.089CC..Hα-helixtrans-60.3-42.2175176.80000111.9L287 I329 F334 Y373 S394 L395 W400 E401 I402L287-V398 HydrophobicContact CD2-CG1 3.58Å; I329-V398 HydrophobicContact CG2-CG2 4.24Å; F334-V398 HydrophobicContact CD2-CG1 4Å; F334-V398 HydrophobicContact CE2-CB 4.5Å; F334-V398 HydrophobicContact CE2-CG1 4.03Å; F334-V398 HydrophobicContact CE2-CG2 4.19Å; Y373-V398 HydrophobicContact CD1-CG2 4.28Å; Y373-V398 HydrophobicContact CE1-CG2 3.91Å; S394-V398 PolarHBondContact O-N 3.39Å; L395-V398 CarbonylContact O-C 3.51Å; L395-V398 WeakPolarHBondContact O-CA 3.33Å; L395-V398 WeakPolarHBondContact O-CB 3.5Å; L395-V398 PolarHBondContact O-N 2.99Å; V398-W400 VanDerWaalsContact C-N 3.31Å; V398-W400 PolarHBondContact O-N 2.82Å; V398-E401 WeakPolarHBondContact O-CB 3.4Å; V398-E401 PolarHBondContact O-N 3.26Å; V398-I402 HydrophobicContact CG1-CD1 4.38Å; V398-I402 WeakPolarHBondContact O-CG1 3.49Å; V398-I402 PolarHBondContact O-N 3.17Å
399L98.7Very high96.9Very high0 Ų017.2 Ų17.20%08%0.078CC..Hα-helixtrans-65.4-36.1176.6-57.5-166.1000111.7C306 A309 L395 G396 I397 I402 A403 I444 L461 L465C306-L399 HydrophobicContact CB-CD2 3.78Å; A309-L399 HydrophobicContact CB-CD2 4.43Å; L395-L399 HydrophobicContact CD1-CD2 4.16Å; L395-L399 HydrophobicContact CG-CD2 4.38Å; L395-L399 HydrophobicContact CG-CG 4.29Å; L395-L399 WeakPolarHBondContact O-CG 3.34Å; L395-L399 PolarHBondContact O-N 2.88Å; G396-L399 PolarHBondContact O-N 3.44Å; I397-L399 PolarHBondContact O-N 2.71Å; L399-I402 HydrophobicContact CD2-CD1 4.16Å; L399-I402 PolarHBondContact O-N 3.3Å; L399-A403 PolarHBondContact O-N 3.33Å; L399-I444 HydrophobicContact CB-CD1 4.4Å; L399-I444 HydrophobicContact CB-CG1 3.81Å; L399-L461 HydrophobicContact CD1-CD1 4.46Å; L399-L461 HydrophobicContact CD1-CD2 4.3Å; L399-L465 HydrophobicContact CD1-CD1 4.49Å
400W98.7Very high96.7Very high3 Ų319 Ų191%0.0119%0.086CC..Hα-helixtrans-65.1-40.3172.2175.289.1000111.9G396 I397 V398 I402 A403 T404 K406 P408 E430 P431 I444 R448G396-W400 WeakPolarHBondContact O-CB 3.29Å; G396-W400 PolarHBondContact O-N 2.62Å; I397-W400 WeakPolarHBondContact O-CB 3.36Å; I397-W400 PolarHBondContact O-N 2.84Å; I397-W400 VanDerWaalsContact O-N 3.15Å; V398-W400 VanDerWaalsContact C-N 3.31Å; V398-W400 PolarHBondContact O-N 2.82Å; W400-I402 VanDerWaalsContact C-N 3.32Å; W400-I402 PolarHBondContact O-N 3.11Å; W400-A403 PolarHBondContact O-N 3.19Å; W400-T404 HydrophobicContact CD2-CG2 4.07Å; W400-T404 HydrophobicContact CG-CG2 4.35Å; W400-T404 HydrophobicContact CZ2-CG2 3.84Å; W400-T404 WeakPolarHBondContact O-CB 3.41Å; W400-T404 WeakPolarHBondContact O-CG2 3.3Å; W400-T404 PolarHBondContact O-N 2.99Å; W400-T404 PolarHBondContact O-OG1 3.02Å; W400-K406 HydrophobicContact CH2-CB 3.69Å; W400-K406 HydrophobicContact CZ2-CB 4.41Å; W400-K406 HydrophobicContact CZ3-CB 4.18Å; W400-P408 HydrophobicContact CE3-CB 4.39Å; W400-P408 VanDerWaalsContact CZ3-CA 3.48Å; W400-P408 HydrophobicContact CZ3-CB 3.99Å; W400-E430 HydrophobicContact CD2-CB 4.44Å; W400-E430 HydrophobicContact CH2-CB 4.35Å; W400-E430 WeakPolarHBondContact CH2-OE1 3.36Å; W400-E430 HydrophobicContact CZ2-CB 3.47Å; W400-E430 VanDerWaalsContact CZ2-CB 3.47Å; W400-E430 HydrophobicContact CZ2-CG 4.11Å; W400-E430 PolarHBondContact NE1-O 3.39Å; W400-P431 PolarHBondContact NE1-O 2.69Å; W400-I444 HydrophobicContact CB-CG2 3.79Å; W400-R448 VanDerWaalsContact CG-NH1 3.33Å
401E98.4Very high96.3Very high0 Ų026.1 Ų26.10%012%0.124CC..Hα-helixtrans-61.7-40172.7-69.6178.591.600111R288 L291 S331 Y373 I397 V398 R405 P408R288-E401 IonicContact CZ-OE1 3.32Å; R288-E401 IonicContact NH1-OE1 3.28Å; R288-E401 PolarHBondContact NH1-OE1 2.93Å; L291-E401 HydrophobicContact CD1-CB 3.89Å; S331-E401 VanDerWaalsContact CB-OE2 3.25Å; S331-E401 WeakPolarHBondContact CB-OE2 3.35Å; S331-E401 PolarHBondContact OG-OE1 2.78Å; S331-E401 PolarHBondContact OG-OE2 2.77Å; S331-E401 VanDerWaalsContact OG-OE2 3.13Å; Y373-E401 VanDerWaalsContact CE1-OE2 3.29Å; Y373-E401 WeakPolarHBondContact CE1-OE2 3.4Å; Y373-E401 PolarHBondContact OH-OE1 2.93Å; Y373-E401 PolarHBondContact OH-OE2 3.3Å; Y373-E401 VanDerWaalsContact OH-OE2 3.08Å; I397-E401 WeakPolarHBondContact O-CG 3.27Å; I397-E401 PolarHBondContact O-N 2.89Å; V398-E401 WeakPolarHBondContact O-CB 3.4Å; V398-E401 PolarHBondContact O-N 3.26Å; E401-R405 WeakPolarHBondContact O-CA 3.4Å; E401-R405 PolarHBondContact O-N 2.93Å; E401-P408 HydrophobicContact CG-CG 4.47Å
402I98.4Very high95.8Very high0 Ų026.6 Ų26.60%013%0.127CC..Hα-helixtrans-62.2-45.3175.1-65.9167000110.9L287 L291 K302 M305 V398 L399 W400L287-I402 HydrophobicContact CD1-CG1 4.13Å; L287-I402 HydrophobicContact CD2-CD1 3.9Å; L287-I402 HydrophobicContact CD2-CG1 3.92Å; L287-I402 HydrophobicContact CG-CG1 4.48Å; L291-I402 HydrophobicContact CD1-CG1 4.43Å; K302-I402 HydrophobicContact CB-CG2 3.84Å; K302-I402 HydrophobicContact CG-CG2 4.15Å; K302-I402 WeakPolarHBondContact O-CG2 3.2Å; M305-I402 HydrophobicContact CB-CD1 4.28Å; M305-I402 HydrophobicContact CB-CG2 4.3Å; V398-I402 HydrophobicContact CG1-CD1 4.38Å; V398-I402 WeakPolarHBondContact O-CG1 3.49Å; V398-I402 PolarHBondContact O-N 3.17Å; L399-I402 HydrophobicContact CD2-CD1 4.16Å; L399-I402 PolarHBondContact O-N 3.3Å; W400-I402 VanDerWaalsContact C-N 3.32Å; W400-I402 PolarHBondContact O-N 3.11Å
403A97.9Very high94.8Very high0 Ų028.7 Ų28.70%015%0.149CC..Hα-helixtrans-65.4-45.2-178.300000112.4W299 K302 L399 W400 L432 I444W299-A403 HydrophobicContact CH2-CB 4.17Å; W299-A403 HydrophobicContact CZ3-CB 4.11Å; K302-A403 PolarHBondContact NZ-O 3.49Å; L399-A403 PolarHBondContact O-N 3.33Å; W400-A403 PolarHBondContact O-N 3.19Å; A403-L432 HydrophobicContact CB-CD2 3.74Å; A403-I444 HydrophobicContact CB-CD1 3.66Å
404T97.1Very high93.6Very high22 Ų2234.9 Ų34.914%0.13518%0.183CC..Hα-helixtrans-93.3-25.2-173.760.90000114.2W400 K406 P433W400-T404 HydrophobicContact CD2-CG2 4.07Å; W400-T404 HydrophobicContact CG-CG2 4.35Å; W400-T404 HydrophobicContact CZ2-CG2 3.84Å; W400-T404 WeakPolarHBondContact O-CB 3.41Å; W400-T404 WeakPolarHBondContact O-CG2 3.3Å; W400-T404 PolarHBondContact O-N 2.99Å; W400-T404 PolarHBondContact O-OG1 3.02Å; T404-K406 PolarHBondContact O-N 2.81Å; T404-K406 PolarHBondContact OG1-N 2.9Å; T404-K406 VanDerWaalsContact OG1-N 3.08Å; T404-P433 HydrophobicContact CG2-CG 4.09Å
405R95.8Very high92.9Very high51 Ų5138.1 Ų38.119%0.19220%0.2CC..  trans61.13.1-163.7-51.4-179.865.1128.80.9115.2R288 V290 L291 S293 H295 L297 E401R288-R405 PolarHBondContact NH2-O 3.27Å; V290-R405 PolarHBondContact O-NH2 3.47Å; L291-R405 HydrophobicContact CD2-CG 4.18Å; L291-R405 PolarHBondContact O-NE 3.24Å; L291-R405 PolarHBondContact O-NH2 3.38Å; S293-R405 PolarHBondContact O-NH2 3.02Å; S293-R405 PolarHBondContact OG-NH2 3.42Å; H295-R405 PolarHBondContact O-NH1 3.48Å; H295-R405 PolarHBondContact O-NH2 2.97Å; L297-R405 VanDerWaalsContact CD1-NH1 3.35Å; E401-R405 WeakPolarHBondContact O-CA 3.4Å; E401-R405 PolarHBondContact O-N 2.93Å
406K95.1Very high92.3Very high126 Ų12641.2 Ų41.255%0.54822%0.216SC..SBendtrans-79.4166.6-178.6-65.9-176.6178-171.60111.2R288 W400 T404R288-K406 PolarHBondContact NH1-O 3.4Å; W400-K406 HydrophobicContact CH2-CB 3.69Å; W400-K406 HydrophobicContact CZ2-CB 4.41Å; W400-K406 HydrophobicContact CZ3-CB 4.18Å; T404-K406 PolarHBondContact O-N 2.81Å; T404-K406 PolarHBondContact OG1-N 2.9Å; T404-K406 VanDerWaalsContact OG1-N 3.08Å
407K94.8Very high91.8Very high58 Ų5849.4 Ų49.425%0.25225%0.252SS..PPolyproline II helixtrans-84.6138.5166-62.9179.4-176.5169.30108.4T367 I368 F409 E410T367-K407 HydrophobicContact CG2-CD 4.27Å; I368-K407 HydrophobicContact CD1-CB 4.24Å; I368-K407 HydrophobicContact CD1-CD 4.49Å; I368-K407 HydrophobicContact CD1-CG 4.07Å; I368-K407 HydrophobicContact CG1-CB 4.3Å; I368-K407 HydrophobicContact CG1-CD 4.22Å; I368-K407 HydrophobicContact CG1-CG 4.27Å; K407-F409 PolarHBondContact O-N 3.29Å; K407-E410 HydrophobicContact CB-CB 4.26Å; K407-E410 PolarHBondContact O-N 3.09Å
408P95Very high91.4Very high4 Ų452.6 Ų52.63%0.02627%0.268CS..THydrogen-bonded Turntrans-66.6135.2-179.529.1-33.3000109.6I368 C372 I397 W400 E401 E410 E430I368-P408 HydrophobicContact CG2-CG 3.69Å; C372-P408 HydrophobicContact CB-CB 4.11Å; C372-P408 HydrophobicContact CB-CG 3.78Å; I397-P408 HydrophobicContact CG2-CB 3.74Å; I397-P408 HydrophobicContact CG2-CG 4Å; W400-P408 HydrophobicContact CE3-CB 4.39Å; W400-P408 VanDerWaalsContact CZ3-CA 3.48Å; W400-P408 HydrophobicContact CZ3-CB 3.99Å; E401-P408 HydrophobicContact CG-CG 4.47Å; P408-E410 PolarHBondContact O-N 3.24Å; P408-E430 WeakPolarHBondContact CA-OE2 3.38Å
409F93.1Very high91Very high8 Ų852.7 Ų52.74%0.03527%0.269CS..THydrogen-bonded Turntrans55.132.5-179.9-53.9-80.2000114.9C372 K407 D411 C412 I419 V423 Y428 E430C372-F409 HydrophobicContact CB-CD2 3.88Å; C372-F409 HydrophobicContact CB-CE2 4.4Å; K407-F409 PolarHBondContact O-N 3.29Å; F409-D411 PolarHBondContact O-N 2.68Å; F409-C412 HydrophobicContact CB-CB 4.17Å; F409-C412 VanDerWaalsContact O-CB 3.31Å; F409-C412 WeakPolarHBondContact O-CB 3.39Å; F409-C412 PolarHBondContact O-N 3.35Å; F409-I419 HydrophobicContact CB-CD1 4.21Å; F409-I419 HydrophobicContact CB-CG1 4Å; F409-I419 HydrophobicContact CD2-CG2 4.09Å; F409-I419 HydrophobicContact CE2-CG2 4.22Å; F409-I419 HydrophobicContact CG-CG1 4.2Å; F409-I419 HydrophobicContact CG-CG2 4.25Å; F409-I419 HydrophobicContact CZ-CG2 4.48Å; F409-V423 HydrophobicContact CE1-CG2 3.93Å; F409-V423 HydrophobicContact CE2-CG2 4.33Å; F409-V423 HydrophobicContact CZ-CG2 3.51Å; F409-Y428 HydrophobicContact CE1-CD1 4.15Å; F409-Y428 HydrophobicContact CE1-CE1 4.44Å; F409-E430 HydrophobicContact CD1-CG 4.49Å; F409-E430 HydrophobicContact CE1-CG 4.44Å; F409-E430 VanDerWaalsContact N-CD 3.26Å; F409-E430 PolarHBondContact N-OE1 3.37Å; F409-E430 PolarHBondContact N-OE2 3.11Å
410E89.4Confident90.7Very high110 Ų11054.4 Ų54.451%0.51428%0.281SS..G310 helixtrans-54.2-38.3-179.2-172.3162.9-148.200112.8K407 P408 C412 G413K407-E410 HydrophobicContact CB-CB 4.26Å; K407-E410 PolarHBondContact O-N 3.09Å; P408-E410 PolarHBondContact O-N 3.24Å; E410-C412 PolarHBondContact O-N 2.96Å; E410-G413 PolarHBondContact O-N 2.95Å
411D86.6Confident90.5Very high150 Ų15059.2 Ų59.280%0.80230%0.302SS*.G310 helixtrans-69.1-14.1178.7-60.6-31.5000113.9F409F409-D411 PolarHBondContact O-N 2.68Å
412C83.9Confident90.3Very high11 Ų1161.6 Ų61.67%0.07431%0.312CS..G310 helixtrans-85.4-10.8178.2-60.80000112.8F409 E410 I418 I419 K422F409-C412 HydrophobicContact CB-CB 4.17Å; F409-C412 VanDerWaalsContact O-CB 3.31Å; F409-C412 WeakPolarHBondContact O-CB 3.39Å; F409-C412 PolarHBondContact O-N 3.35Å; E410-C412 PolarHBondContact O-N 2.96Å; C412-I418 HydrophobicContact CB-CB 4.44Å; C412-I418 HydrophobicContact CB-CG2 3.99Å; C412-I419 HydrophobicContact CB-CG1 3.98Å; C412-K422 PolarHBondContact SG-NZ 3.18Å; C412-K422 VanDerWaalsContact SG-NZ 3.35Å
413G77.9Confident90.1Very high46 Ų4661.8 Ų61.847%0.47431%0.313SS..THydrogen-bonded Turntrans59-154.6-171.100000112.7E410 D415E410-G413 PolarHBondContact O-N 2.95Å; G413-D415 PolarHBondContact O-N 3.22Å
414D73.1Confident90Very high137 Ų13762.6 Ų62.673%0.73332%0.319SS*.THydrogen-bonded Turntrans-83.820.2-179.9-68.7-26.5000113.5D416D414-D416 PolarHBondContact O-N 3.23Å
415D83.7Confident89.8Confident72 Ų7268.3 Ų68.339%0.38534%0.344SS..  trans-93.292.4-179.9-164.7-19.6000112.1G413 K417 I418 I419G413-D415 PolarHBondContact O-N 3.22Å; D415-K417 PolarHBondContact O-N 3.35Å; D415-K417 VanDerWaalsContact O-N 3.1Å; D415-K417 VanDerWaalsContact OD1-CB 3.28Å; D415-K417 WeakPolarHBondContact OD1-CB 3.44Å; D415-K417 PolarHBondContact OD1-N 3.49Å; D415-I418 HydrophobicContact CB-CB 4.32Å; D415-I418 HydrophobicContact CB-CD1 3.81Å; D415-I418 HydrophobicContact CB-CG1 3.91Å; D415-I418 PolarHBondContact O-N 3.24Å; D415-I419 PolarHBondContact O-N 3Å
416D84.4Confident89.8Confident65 Ų6570.9 Ų70.935%0.34836%0.358SS..Hα-helixtrans-55.1-26.3176.2-69-31.6000113.5S369 L371 D414 S420S369-D416 WeakPolarHBondContact CB-OD1 3.19Å; S369-D416 PolarHBondContact OG-OD1 3.07Å; L371-D416 HydrophobicContact CD1-CB 3.59Å; L371-D416 VanDerWaalsContact CD1-CG 3.45Å; D414-D416 PolarHBondContact O-N 3.23Å; D416-S420 WeakPolarHBondContact O-CB 3.47Å; D416-S420 PolarHBondContact O-N 3.39Å
417K87.7Confident89.9Confident172 Ų17270.7 Ų70.775%0.74836%0.358SS*.Hα-helixtrans-72.9-36.4177.6-63-179.9179.4176.80111.6D415 I419 S420 K421D415-K417 PolarHBondContact O-N 3.35Å; D415-K417 VanDerWaalsContact O-N 3.1Å; D415-K417 VanDerWaalsContact OD1-CB 3.28Å; D415-K417 WeakPolarHBondContact OD1-CB 3.44Å; D415-K417 PolarHBondContact OD1-N 3.49Å; K417-I419 VanDerWaalsContact C-N 3.34Å; K417-S420 PolarHBondContact O-N 2.81Å; K417-K421 WeakPolarHBondContact O-CB 3.39Å; K417-K421 PolarHBondContact O-N 2.85Å
418I90.8Very high89.9Confident69 Ų6971.8 Ų71.835%0.35436%0.361SS..Hα-helixtrans-65.5-43.3176.2-63179.4000109.6C412 D415 K421 K422C412-I418 HydrophobicContact CB-CB 4.44Å; C412-I418 HydrophobicContact CB-CG2 3.99Å; D415-I418 HydrophobicContact CB-CB 4.32Å; D415-I418 HydrophobicContact CB-CD1 3.81Å; D415-I418 HydrophobicContact CB-CG1 3.91Å; D415-I418 PolarHBondContact O-N 3.24Å; I418-K421 PolarHBondContact O-N 2.87Å; I418-K422 HydrophobicContact CG2-CD 4.49Å; I418-K422 PolarHBondContact O-N 3.47Å
419I91.4Very high90Very high2 Ų274.9 Ų74.91%0.0138%0.375CS..Hα-helixtrans-60.3-50.3175.9-61.5169.9000109.9F409 C412 D415 K417 K421 K422 V423F409-I419 HydrophobicContact CB-CD1 4.21Å; F409-I419 HydrophobicContact CB-CG1 4Å; F409-I419 HydrophobicContact CD2-CG2 4.09Å; F409-I419 HydrophobicContact CE2-CG2 4.22Å; F409-I419 HydrophobicContact CG-CG1 4.2Å; F409-I419 HydrophobicContact CG-CG2 4.25Å; F409-I419 HydrophobicContact CZ-CG2 4.48Å; C412-I419 HydrophobicContact CB-CG1 3.98Å; D415-I419 PolarHBondContact O-N 3Å; K417-I419 VanDerWaalsContact C-N 3.34Å; I419-K421 VanDerWaalsContact C-N 3.33Å; I419-K421 PolarHBondContact O-N 3.24Å; I419-K422 PolarHBondContact O-N 3.09Å; I419-V423 HydrophobicContact CG2-CG2 4.23Å; I419-V423 WeakPolarHBondContact O-CB 3.4Å; I419-V423 VanDerWaalsContact O-CG2 3.32Å; I419-V423 WeakPolarHBondContact O-CG2 3.44Å; I419-V423 PolarHBondContact O-N 2.95Å
420S91.8Very high90.2Very high37 Ų3775.2 Ų75.226%0.25938%0.376SS..Hα-helixtrans-58.4-43.6178.9-172.10000112.3D416 K417 V423 C424D416-S420 WeakPolarHBondContact O-CB 3.47Å; D416-S420 PolarHBondContact O-N 3.39Å; K417-S420 PolarHBondContact O-N 2.81Å; S420-V423 PolarHBondContact O-N 3.48Å; S420-C424 WeakPolarHBondContact O-CB 3.4Å; S420-C424 PolarHBondContact O-N 3.5Å; S420-C424 PolarHBondContact O-SG 2.9Å
421K93.9Very high90.6Very high104 Ų10474.4 Ų74.445%0.45238%0.38SS..Hα-helixtrans-60.2-51.3175.7-178.7178.9177.2-171.50112.1K417 I418 I419 V423 E425 E426K417-K421 WeakPolarHBondContact O-CB 3.39Å; K417-K421 PolarHBondContact O-N 2.85Å; I418-K421 PolarHBondContact O-N 2.87Å; I419-K421 VanDerWaalsContact C-N 3.33Å; I419-K421 PolarHBondContact O-N 3.24Å; K421-V423 VanDerWaalsContact C-N 3.34Å; K421-V423 PolarHBondContact O-N 3.24Å; K421-E425 HydrophobicContact CG-CB 4.41Å; K421-E425 HydrophobicContact CG-CG 4.44Å; K421-E425 WeakPolarHBondContact O-CA 3.3Å; K421-E425 VanDerWaalsContact O-CB 3.29Å; K421-E425 WeakPolarHBondContact O-CB 3.39Å; K421-E425 PolarHBondContact O-N 3.32Å; K421-E426 PolarHBondContact O-N 3.05Å
422K94.8Very high91.1Very high50 Ų5069 Ų6922%0.21735%0.351CS..Hα-helixtrans-58.8-45.2179.4-78.8-172.3175.1-178.50112C412 I418 I419 E426 K427 Y428C412-K422 PolarHBondContact SG-NZ 3.18Å; C412-K422 VanDerWaalsContact SG-NZ 3.35Å; I418-K422 HydrophobicContact CG2-CD 4.49Å; I418-K422 PolarHBondContact O-N 3.47Å; I419-K422 PolarHBondContact O-N 3.09Å; K422-E426 CarbonylContact O-C 3.45Å; K422-E426 WeakPolarHBondContact O-CB 3.36Å; K422-E426 PolarHBondContact O-N 3.22Å; K422-K427 PolarHBondContact O-N 3.45Å; K422-Y428 HydrophobicContact CB-CD1 4.28Å; K422-Y428 HydrophobicContact CD-CD1 4.05Å; K422-Y428 HydrophobicContact CD-CE1 4.41Å; K422-Y428 WeakPolarHBondContact O-CB 2.9Å; K422-Y428 PolarHBondContact O-N 3.34Å
423V94.9Very high91.7Very high3 Ų370.2 Ų70.22%0.01836%0.359CS..Hα-helixtrans-74.3-45.8-175.9176.10000111.7P376 L379 F409 I419 S420 K421 Y450P376-V423 HydrophobicContact CB-CG1 4.05Å; P376-V423 HydrophobicContact CG-CG1 3.69Å; L379-V423 HydrophobicContact CD1-CB 3.92Å; L379-V423 HydrophobicContact CD1-CG1 3.8Å; L379-V423 HydrophobicContact CD1-CG2 4.37Å; F409-V423 HydrophobicContact CE1-CG2 3.93Å; F409-V423 HydrophobicContact CE2-CG2 4.33Å; F409-V423 HydrophobicContact CZ-CG2 3.51Å; I419-V423 HydrophobicContact CG2-CG2 4.23Å; I419-V423 WeakPolarHBondContact O-CB 3.4Å; I419-V423 VanDerWaalsContact O-CG2 3.32Å; I419-V423 WeakPolarHBondContact O-CG2 3.44Å; I419-V423 PolarHBondContact O-N 2.95Å; S420-V423 PolarHBondContact O-N 3.48Å; K421-V423 VanDerWaalsContact C-N 3.34Å; K421-V423 PolarHBondContact O-N 3.24Å; V423-Y450 WeakPolarHBondContact O-CE2 3.47Å
424C94.2Very high92.5Very high18 Ų1873.5 Ų73.512%0.12238%0.382CS..Hα-helixtrans-84.8-44.3-173.5-60.40000113.3L379 S420 Y450L379-C424 WeakPolarHBondContact CB-SG 3.35Å; S420-C424 WeakPolarHBondContact O-CB 3.4Å; S420-C424 PolarHBondContact O-N 3.5Å; S420-C424 PolarHBondContact O-SG 2.9Å; C424-Y450 WeakPolarHBondContact O-CE2 3.31Å; C424-Y450 PolarHBondContact O-OH 2.69Å
425E93.6Very high93.5Very high141 Ų14172 Ų7266%0.65937%0.374SS*.THydrogen-bonded Turntrans-92.6-47.7-172.9-58176.7-159.900111.4K421 K427K421-E425 HydrophobicContact CG-CB 4.41Å; K421-E425 HydrophobicContact CG-CG 4.44Å; K421-E425 WeakPolarHBondContact O-CA 3.3Å; K421-E425 VanDerWaalsContact O-CB 3.29Å; K421-E425 WeakPolarHBondContact O-CB 3.39Å; K421-E425 PolarHBondContact O-N 3.32Å; E425-K427 VanDerWaalsContact C-N 3.33Å
426E95.8Very high94.1Very high106 Ų10669.5 Ų69.550%0.49536%0.362SS..SBendtrans-85.7-8.6-175.6-56.4174-163.600112.7K421 K422 Y428K421-E426 PolarHBondContact O-N 3.05Å; K422-E426 CarbonylContact O-C 3.45Å; K422-E426 WeakPolarHBondContact O-CB 3.36Å; K422-E426 PolarHBondContact O-N 3.22Å; E426-Y428 PolarHBondContact O-N 3.05Å; E426-Y428 VanDerWaalsContact O-N 3.12Å
427K96.3Very high94.5Very high122 Ų12267.8 Ų67.853%0.5336%0.355SS..  trans5033.8-174.4-50.7-168.3177.8-172.50112.3K422 E425 Y450K422-K427 PolarHBondContact O-N 3.45Å; E425-K427 VanDerWaalsContact C-N 3.33Å; K427-Y450 HydrophobicContact CB-CD2 3.93Å; K427-Y450 HydrophobicContact CB-CE2 4.49Å; K427-Y450 HydrophobicContact CB-CG 4.43Å; K427-Y450 HydrophobicContact CD-CD1 4.12Å; K427-Y450 HydrophobicContact CD-CD2 3.93Å; K427-Y450 HydrophobicContact CD-CE1 4.43Å; K427-Y450 HydrophobicContact CD-CE2 4.23Å; K427-Y450 HydrophobicContact CD-CG 3.88Å; K427-Y450 HydrophobicContact CG-CD2 3.6Å; K427-Y450 HydrophobicContact CG-CE2 3.77Å; K427-Y450 HydrophobicContact CG-CG 4.08Å
428Y96.1Very high94.9Very high81 Ų8167 Ų6732%0.31835%0.354SS..  trans-71.9136.2-170.6176-108.6000111.5F409 K422 E426 E430 P431F409-Y428 HydrophobicContact CE1-CD1 4.15Å; F409-Y428 HydrophobicContact CE1-CE1 4.44Å; K422-Y428 HydrophobicContact CB-CD1 4.28Å; K422-Y428 HydrophobicContact CD-CD1 4.05Å; K422-Y428 HydrophobicContact CD-CE1 4.41Å; K422-Y428 WeakPolarHBondContact O-CB 2.9Å; K422-Y428 PolarHBondContact O-N 3.34Å; E426-Y428 PolarHBondContact O-N 3.05Å; E426-Y428 VanDerWaalsContact O-N 3.12Å; Y428-E430 HydrophobicContact CE1-CB 4.42Å; Y428-E430 HydrophobicContact CE1-CG 3.59Å; Y428-P431 WeakPolarHBondContact OH-CD 3.27Å
429Q96.8Very high94.9Very high68 Ų6865.1 Ų65.132%0.31835%0.346SS..  trans-121.5127.4168.2-66-175.3000108.9K445 R448Q429-K445 PolarHBondContact NE2-O 3.32Å; Q429-R448 HydrophobicContact CG-CB 4.45Å; Q429-R448 PolarHBondContact NE2-O 3.19Å
430E97.3Very high95.1Very high15 Ų1565 Ų657%0.0735%0.346CS..PPolyproline II helixtrans-59.7138176.4-70.7177.899.600111.3W400 P408 F409 Y428 R448W400-E430 HydrophobicContact CD2-CB 4.44Å; W400-E430 HydrophobicContact CH2-CB 4.35Å; W400-E430 WeakPolarHBondContact CH2-OE1 3.36Å; W400-E430 HydrophobicContact CZ2-CB 3.47Å; W400-E430 VanDerWaalsContact CZ2-CB 3.47Å; W400-E430 HydrophobicContact CZ2-CG 4.11Å; W400-E430 PolarHBondContact NE1-O 3.39Å; P408-E430 WeakPolarHBondContact CA-OE2 3.38Å; F409-E430 HydrophobicContact CD1-CG 4.49Å; F409-E430 HydrophobicContact CE1-CG 4.44Å; F409-E430 VanDerWaalsContact N-CD 3.26Å; F409-E430 PolarHBondContact N-OE1 3.37Å; F409-E430 PolarHBondContact N-OE2 3.11Å; Y428-E430 HydrophobicContact CE1-CB 4.42Å; Y428-E430 HydrophobicContact CE1-CG 3.59Å; E430-R448 PolarHBondContact O-NH1 3.36Å; E430-R448 VanDerWaalsContact O-NH1 3.16Å; E430-R448 PolarHBondContact O-NH2 3.32Å
431P97Very high95.4Very high93 Ų9363.4 Ų63.460%0.60434%0.335SS*.PPolyproline II helixtrans-67.2155.3-17528.6-35.4000111.5W400 Y428W400-P431 PolarHBondContact NE1-O 2.69Å; Y428-P431 WeakPolarHBondContact OH-CD 3.27Å
432L97.8Very high95.5Very high36 Ų3663.3 Ų63.319%0.18834%0.336CS..PPolyproline II helixtrans-93.3158.4170.8-72165.3000110.1A403 C436 G441 I444A403-L432 HydrophobicContact CB-CD2 3.74Å; L432-C436 HydrophobicContact CB-CB 4.18Å; L432-G441 VanDerWaalsContact CD1-CA 3.45Å; L432-I444 HydrophobicContact CD1-CB 4.32Å; L432-I444 HydrophobicContact CD1-CG2 4.47Å; L432-I444 HydrophobicContact CD2-CD1 3.85Å; L432-I444 HydrophobicContact CD2-CG2 4.15Å
433P96.1Very high95.6Very high38 Ų3861.5 Ų61.525%0.24733%0.329CS..PPolyproline II helixtrans-60148.5174-22.336.7000111.4W299 T404 D435 C436W299-P433 HydrophobicContact CH2-CG 4.4Å; W299-P433 HydrophobicContact CZ2-CB 4.41Å; T404-P433 HydrophobicContact CG2-CG 4.09Å; P433-D435 WeakPolarHBondContact CB-OD1 3.4Å; P433-D435 PolarHBondContact O-N 3.22Å; P433-C436 WeakPolarHBondContact O-CB 3.4Å; P433-C436 PolarHBondContact O-N 2.74Å
434A94.8Very high95.7Very high115 Ų11561.4 Ų61.495%0.9533%0.328SS*.THydrogen-bonded Turntrans-64.8-26.8-178.600000113.1C436A434-C436 VanDerWaalsContact C-N 3.28Å
435D94.2Very high95.9Very high104 Ų10466 Ų6656%0.55635%0.346SS*.THydrogen-bonded Turntrans-85.83.7175.468.6-44.1000113W299 P433 P437W299-D435 PolarHBondContact NE1-O 2.72Å; W299-D435 PolarHBondContact NE1-OD2 3.03Å; P433-D435 WeakPolarHBondContact CB-OD1 3.4Å; P433-D435 PolarHBondContact O-N 3.22Å; D435-P437 VanDerWaalsContact O-CD 3.3Å; D435-P437 WeakPolarHBondContact O-CD 3.1Å
436C96.3Very high96.1Very high20 Ų2060.7 Ų60.714%0.13533%0.326CS..SBendtrans-66123.2176.3-171.60000110.9W299 L432 P433 A434 E438W299-C436 VanDerWaalsContact CH2-CA 3.5Å; W299-C436 HydrophobicContact CH2-CB 3.58Å; W299-C436 VanDerWaalsContact CH2-SG 3.59Å; W299-C436 VanDerWaalsContact CZ2-CA 3.4Å; W299-C436 HydrophobicContact CZ2-CB 3.94Å; W299-C436 HydrophobicContact CZ3-CB 4.28Å; L432-C436 HydrophobicContact CB-CB 4.18Å; P433-C436 WeakPolarHBondContact O-CB 3.4Å; P433-C436 PolarHBondContact O-N 2.74Å; A434-C436 VanDerWaalsContact C-N 3.28Å; C436-E438 PolarHBondContact O-N 3.45Å
437P94Very high96.3Very high30 Ų3055.7 Ų55.720%0.19530%0.303CS..  trans-58.8129.7177.6-32.144.2000111.1W299 D435 S439 L440 G441 F472W299-P437 HydrophobicContact CB-CG 4.25Å; W299-P437 HydrophobicContact CD2-CG 4.03Å; W299-P437 VanDerWaalsContact CE3-CD 3.43Å; W299-P437 HydrophobicContact CE3-CG 4.27Å; W299-P437 HydrophobicContact CG-CG 4.01Å; D435-P437 VanDerWaalsContact O-CD 3.3Å; D435-P437 WeakPolarHBondContact O-CD 3.1Å; P437-S439 VanDerWaalsContact C-N 3.3Å; P437-S439 PolarHBondContact O-N 2.8Å; P437-L440 PolarHBondContact O-N 2.99Å; P437-G441 PolarHBondContact O-N 3.5Å; P437-F472 HydrophobicContact CB-CE1 4.24Å; P437-F472 HydrophobicContact CB-CZ 3.78Å; P437-F472 HydrophobicContact CG-CE1 3.8Å; P437-F472 HydrophobicContact CG-CZ 3.57Å
438E94.4Very high96.4Very high156 Ų15650.2 Ų50.273%0.72928%0.279SS*.Hα-helixtrans-53.6-47.1-170.2-177.4173.2-15500112C436 L440 G441 E442C436-E438 PolarHBondContact O-N 3.45Å; E438-L440 VanDerWaalsContact C-N 3.32Å; E438-L440 PolarHBondContact O-N 2.94Å; E438-G441 PolarHBondContact O-N 2.63Å; E438-E442 WeakPolarHBondContact O-CG 3.48Å; E438-E442 PolarHBondContact O-N 3.46Å
439S92.3Very high96.5Very high28 Ų2847.1 Ų47.120%0.19627%0.27CS..Hα-helixtrans-60.9-36.7-179.658.10000113.3P437 M443 Q471P437-S439 VanDerWaalsContact C-N 3.3Å; P437-S439 PolarHBondContact O-N 2.8Å; S439-M443 WeakPolarHBondContact O-CG 3.41Å; S439-Q471 PolarHBondContact OG-OE1 2.88Å
440L95.1Very high96.5Very high0 Ų046.8 Ų46.80%027%0.266CS..Hα-helixtrans-72.6-42.5172.7-179.359.8000111.2W299 A303 C306 P437 E438 E442 M443 I444 L465 V468W299-L440 HydrophobicContact CE3-CD2 3.95Å; W299-L440 HydrophobicContact CZ3-CD2 3.87Å; A303-L440 HydrophobicContact CB-CD2 4.48Å; C306-L440 HydrophobicContact CB-CD1 4.36Å; P437-L440 PolarHBondContact O-N 2.99Å; E438-L440 VanDerWaalsContact C-N 3.32Å; E438-L440 PolarHBondContact O-N 2.94Å; L440-E442 VanDerWaalsContact C-N 3.33Å; L440-E442 PolarHBondContact O-N 3.02Å; L440-M443 PolarHBondContact O-N 3.4Å; L440-M443 VanDerWaalsContact O-N 3.15Å; L440-I444 HydrophobicContact CD1-CD1 4.41Å; L440-I444 HydrophobicContact CG-CD1 4.08Å; L440-I444 WeakPolarHBondContact O-CG1 3.37Å; L440-I444 PolarHBondContact O-N 2.66Å; L440-I444 VanDerWaalsContact O-N 3.12Å; L440-L465 HydrophobicContact CD1-CD2 3.57Å; L440-V468 HydrophobicContact CB-CG1 4.31Å
441G97.4Very high96.4Very high4 Ų450.6 Ų50.64%0.04128%0.284CS..Hα-helixtrans-62.7-37.7-179.600000113.4L432 P437 E438 M443 I444 K445L432-G441 VanDerWaalsContact CD1-CA 3.45Å; P437-G441 PolarHBondContact O-N 3.5Å; E438-G441 PolarHBondContact O-N 2.63Å; G441-M443 VanDerWaalsContact C-N 3.33Å; G441-M443 PolarHBondContact O-N 3.03Å; G441-I444 PolarHBondContact O-N 2.92Å; G441-K445 VanDerWaalsContact O-CG 3.27Å; G441-K445 WeakPolarHBondContact O-CG 3.16Å; G441-K445 PolarHBondContact O-N 3.18Å
442E96.5Very high96.3Very high101 Ų10148 Ų4847%0.47227%0.269SS..Hα-helixtrans-59.7-41.6172.5-73.5-175.6155.400112.1E438 L440 K445 A446E438-E442 WeakPolarHBondContact O-CG 3.48Å; E438-E442 PolarHBondContact O-N 3.46Å; L440-E442 VanDerWaalsContact C-N 3.33Å; L440-E442 PolarHBondContact O-N 3.02Å; E442-K445 PolarHBondContact O-N 3.25Å; E442-A446 WeakPolarHBondContact O-CB 3.39Å; E442-A446 PolarHBondContact O-N 3.14Å
443M96.5Very high96Very high13 Ų1351.3 Ų51.36%0.06429%0.294CS..Hα-helixtrans-65.8-44.2179-64.4-50.198.900111.6S439 L440 G441 K445 A446 C447 L461 K464S439-M443 WeakPolarHBondContact O-CG 3.41Å; L440-M443 PolarHBondContact O-N 3.4Å; L440-M443 VanDerWaalsContact O-N 3.15Å; G441-M443 VanDerWaalsContact C-N 3.33Å; G441-M443 PolarHBondContact O-N 3.03Å; M443-K445 VanDerWaalsContact C-N 3.31Å; M443-K445 PolarHBondContact O-N 2.97Å; M443-A446 PolarHBondContact O-N 2.99Å; M443-C447 PolarHBondContact O-N 3.49Å; M443-C447 PolarHBondContact O-SG 2.68Å; M443-C447 VanDerWaalsContact O-SG 3.35Å; M443-L461 HydrophobicContact CB-CD1 4.07Å; M443-L461 HydrophobicContact CG-CD1 4.48Å; M443-K464 HydrophobicContact CE-CD 3.8Å; M443-K464 HydrophobicContact CG-CB 4.28Å; M443-K464 HydrophobicContact SD-CB 3.58Å; M443-K464 VanDerWaalsContact SD-CB 3.58Å; M443-K464 HydrophobicContact SD-CD 3.19Å; M443-K464 WeakPolarHBondContact SD-CD 3.44Å; M443-K464 HydrophobicContact SD-CG 4.02Å
444I98.4Very high96Very high0 Ų053.4 Ų53.40%031%0.309CS..Hα-helixtrans-62.1-40.8177.9-63.2169.8000110.9L399 W400 A403 L432 L440 G441 R448L399-I444 HydrophobicContact CB-CD1 4.4Å; L399-I444 HydrophobicContact CB-CG1 3.81Å; W400-I444 HydrophobicContact CB-CG2 3.79Å; A403-I444 HydrophobicContact CB-CD1 3.66Å; L432-I444 HydrophobicContact CD1-CB 4.32Å; L432-I444 HydrophobicContact CD1-CG2 4.47Å; L432-I444 HydrophobicContact CD2-CD1 3.85Å; L432-I444 HydrophobicContact CD2-CG2 4.15Å; L440-I444 HydrophobicContact CD1-CD1 4.41Å; L440-I444 HydrophobicContact CG-CD1 4.08Å; L440-I444 WeakPolarHBondContact O-CG1 3.37Å; L440-I444 PolarHBondContact O-N 2.66Å; L440-I444 VanDerWaalsContact O-N 3.12Å; G441-I444 PolarHBondContact O-N 2.92Å; I444-R448 WeakPolarHBondContact O-CG 3.31Å; I444-R448 PolarHBondContact O-N 3.23Å; I444-R448 PolarHBondContact O-NE 3.03Å
445K98.3Very high96.1Very high116 Ų11648.7 Ų48.750%0.50427%0.267SS..Hα-helixtrans-65.8-42.7175.7-71.1170.1-174.6174.30111.9Q429 G441 E442 M443 R448 A449Q429-K445 PolarHBondContact NE2-O 3.32Å; G441-K445 VanDerWaalsContact O-CG 3.27Å; G441-K445 WeakPolarHBondContact O-CG 3.16Å; G441-K445 PolarHBondContact O-N 3.18Å; E442-K445 PolarHBondContact O-N 3.25Å; M443-K445 VanDerWaalsContact C-N 3.31Å; M443-K445 PolarHBondContact O-N 2.97Å; K445-R448 CarbonylContact O-C 3.59Å; K445-R448 PolarHBondContact O-N 3.36Å; K445-A449 PolarHBondContact O-N 3.16Å
446A97.7Very high96.1Very high29 Ų2944.6 Ų44.624%0.2425%0.246CC..Hα-helixtrans-63.8-42.7179.100000112.2E442 M443 R448 A449E442-A446 WeakPolarHBondContact O-CB 3.39Å; E442-A446 PolarHBondContact O-N 3.14Å; M443-A446 PolarHBondContact O-N 2.99Å; A446-R448 VanDerWaalsContact C-N 3.26Å; A446-R448 PolarHBondContact O-N 3Å; A446-A449 VanDerWaalsContact O-CB 3.3Å; A446-A449 WeakPolarHBondContact O-CB 3.43Å; A446-A449 PolarHBondContact O-N 3.24Å
447C98.6Very high95.9Very high0 Ų046.9 Ų46.90%026%0.262CS..Hα-helixtrans-60.6-36.2174.6-68.60000112.5I392 Y393 G396 M443 A449 R455I392-C447 HydrophobicContact CG2-CB 4.07Å; Y393-C447 WeakPolarHBondContact CA-O 3.37Å; G396-C447 VanDerWaalsContact CA-CB 3.49Å; M443-C447 PolarHBondContact O-N 3.49Å; M443-C447 PolarHBondContact O-SG 2.68Å; M443-C447 VanDerWaalsContact O-SG 3.35Å; C447-A449 VanDerWaalsContact C-N 3.32Å; C447-A449 PolarHBondContact O-N 2.77Å; C447-R455 WeakPolarHBondContact O-CD 3.49Å
448R98.3Very high95.8Very high7 Ų745.6 Ų45.63%0.02625%0.254CS..THydrogen-bonded Turntrans-89.812.5-179.7-61.7-175.6-59.7160.55.3113.8Y393 I397 W400 Q429 E430 I444 K445 A446 Y450Y393-R448 HydrophobicContact CE2-CB 4.27Å; I397-R448 HydrophobicContact CD1-CG 4.26Å; W400-R448 VanDerWaalsContact CG-NH1 3.33Å; Q429-R448 HydrophobicContact CG-CB 4.45Å; Q429-R448 PolarHBondContact NE2-O 3.19Å; E430-R448 PolarHBondContact O-NH1 3.36Å; E430-R448 VanDerWaalsContact O-NH1 3.16Å; E430-R448 PolarHBondContact O-NH2 3.32Å; I444-R448 WeakPolarHBondContact O-CG 3.31Å; I444-R448 PolarHBondContact O-N 3.23Å; I444-R448 PolarHBondContact O-NE 3.03Å; K445-R448 CarbonylContact O-C 3.59Å; K445-R448 PolarHBondContact O-N 3.36Å; A446-R448 VanDerWaalsContact C-N 3.26Å; A446-R448 PolarHBondContact O-N 3Å; R448-Y450 PolarHBondContact O-N 3.18Å
449A98.2Very high95.4Very high16 Ų1638.8 Ų38.813%0.13223%0.226CC..  trans-57.1140.3-179.500000111.6K445 A446 C447 C454 R455K445-A449 PolarHBondContact O-N 3.16Å; A446-A449 VanDerWaalsContact O-CB 3.3Å; A446-A449 WeakPolarHBondContact O-CB 3.43Å; A446-A449 PolarHBondContact O-N 3.24Å; C447-A449 VanDerWaalsContact C-N 3.32Å; C447-A449 PolarHBondContact O-N 2.77Å; A449-C454 HydrophobicContact CB-CB 3.73Å; A449-R455 HydrophobicContact CB-CG 4.16Å; A449-R455 PolarHBondContact O-NE 2.91Å; A449-R455 PolarHBondContact O-NH2 3.49Å
450Y97.2Very high95.3Very high61 Ų6140.5 Ų40.524%0.23924%0.235CC..SBendtrans-61-51.4-179.2-175.9-89.3000110.9P376 Q377 V423 C424 K427 R448 R455P376-Y450 HydrophobicContact CB-CD2 3.83Å; P376-Y450 HydrophobicContact CB-CE2 3.58Å; P376-Y450 HydrophobicContact CG-CD2 3.74Å; P376-Y450 HydrophobicContact CG-CE2 4.04Å; P376-Y450 HydrophobicContact CG-CG 4.4Å; Q377-Y450 PolarHBondContact NE2-O 3.18Å; V423-Y450 WeakPolarHBondContact O-CE2 3.47Å; C424-Y450 WeakPolarHBondContact O-CE2 3.31Å; C424-Y450 PolarHBondContact O-OH 2.69Å; K427-Y450 HydrophobicContact CB-CD2 3.93Å; K427-Y450 HydrophobicContact CB-CE2 4.49Å; K427-Y450 HydrophobicContact CB-CG 4.43Å; K427-Y450 HydrophobicContact CD-CD1 4.12Å; K427-Y450 HydrophobicContact CD-CD2 3.93Å; K427-Y450 HydrophobicContact CD-CE1 4.43Å; K427-Y450 HydrophobicContact CD-CE2 4.23Å; K427-Y450 HydrophobicContact CD-CG 3.88Å; K427-Y450 HydrophobicContact CG-CD2 3.6Å; K427-Y450 HydrophobicContact CG-CE2 3.77Å; K427-Y450 HydrophobicContact CG-CG 4.08Å; R448-Y450 PolarHBondContact O-N 3.18Å; Y450-R455 PolarHBondContact O-NH2 3.26Å
451E95.8Very high95.2Very high95 Ų9540.5 Ų40.544%0.44424%0.235SC..SBendtrans-72.7128.6173.1-61-54.3143.700110.6S453 C454E451-S453 VanDerWaalsContact C-N 3.3Å; E451-S453 PolarHBondContact O-N 3.21Å; E451-C454 HydrophobicContact CB-CB 4.49Å; E451-C454 PolarHBondContact O-N 3.08Å
452S94.8Very high95Very high40 Ų4040.3 Ų40.328%0.2823%0.233SC..G310 helixtrans-64-34.3-177.355.30000113C454 R455S452-C454 PolarHBondContact O-N 3.29Å; S452-R455 WeakPolarHBondContact O-CB 3.08Å; S452-R455 WeakPolarHBondContact O-CG 3.45Å; S452-R455 PolarHBondContact O-N 3.17Å
453S92.1Very high94.3Very high104 Ų10436.8 Ų36.873%0.72722%0.217SC*.G310 helixtrans-67.6-20.317955.40000114.1E451 R455E451-S453 VanDerWaalsContact C-N 3.3Å; E451-S453 PolarHBondContact O-N 3.21Å; S453-R455 VanDerWaalsContact C-N 3.28Å
454C94.6Very high93.8Very high83 Ų8340.7 Ų40.756%0.56123%0.234SC*.G310 helixtrans-81.4-9.4176.5-66.60000112.8A449 E451 S452A449-C454 HydrophobicContact CB-CB 3.73Å; E451-C454 HydrophobicContact CB-CB 4.49Å; E451-C454 PolarHBondContact O-N 3.08Å; S452-C454 PolarHBondContact O-N 3.29Å
455R97.4Very high93.3Very high15 Ų1540.7 Ų40.76%0.05723%0.234CC..SBendtrans-81.2135.5-179.3-56.6178.2-166.6145.211.4109.4E389 I392 C447 A449 Y450 S452 S453E389-R455 VanDerWaalsContact O-CD 3.31Å; E389-R455 WeakPolarHBondContact O-CD 3.48Å; E389-R455 PolarHBondContact O-NH1 3.32Å; I392-R455 HydrophobicContact CB-CB 4.43Å; I392-R455 HydrophobicContact CG2-CB 3.86Å; C447-R455 WeakPolarHBondContact O-CD 3.49Å; A449-R455 HydrophobicContact CB-CG 4.16Å; A449-R455 PolarHBondContact O-NE 2.91Å; A449-R455 PolarHBondContact O-NH2 3.49Å; Y450-R455 PolarHBondContact O-NH2 3.26Å; S452-R455 WeakPolarHBondContact O-CB 3.08Å; S452-R455 WeakPolarHBondContact O-CG 3.45Å; S452-R455 PolarHBondContact O-N 3.17Å; S453-R455 VanDerWaalsContact C-N 3.28Å
456P94.8Very high92.7Very high18 Ų1836.9 Ų36.912%0.11722%0.217CC..PPolyproline II helixtrans-68.6153.3177.730.1-35000110.8I392 V460 L461I392-P456 WeakPolarHBondContact CG1-O 3.32Å; I392-P456 HydrophobicContact CG2-CG 4.46Å; I392-P456 WeakPolarHBondContact CG2-O 3.32Å; P456-V460 HydrophobicContact CB-CB 4.25Å; P456-V460 HydrophobicContact CB-CG1 4Å; P456-L461 HydrophobicContact CG-CB 4.35Å; P456-L461 HydrophobicContact CG-CD1 4.47Å
457S91.6Very high91.8Very high69 Ų6938.7 Ų38.748%0.48323%0.227SC..PPolyproline II helixtrans-66.7158.4164.571.90000110.5G459 V460 L461S457-G459 PolarHBondContact O-N 3.04Å; S457-V460 PolarHBondContact O-N 2.87Å; S457-V460 WeakPolarHBondContact OG-CG2 3.44Å; S457-V460 PolarHBondContact OG-N 3.08Å; S457-L461 WeakPolarHBondContact O-CB 3.49Å; S457-L461 PolarHBondContact O-N 2.63Å
458A91.3Very high90.9Very high2 Ų239 Ų392%0.01723%0.229CC..Hα-helixtrans-57.7-37.8178.800000112.3Y314 H317 I392 L461 V462Y314-A458 HydrophobicContact CD2-CB 4.25Å; H317-A458 HydrophobicContact CB-CB 4.31Å; I392-A458 HydrophobicContact CD1-CB 3.93Å; A458-L461 WeakPolarHBondContact O-CB 3.45Å; A458-L461 PolarHBondContact O-N 3.39Å; A458-V462 WeakPolarHBondContact O-CG2 3.43Å; A458-V462 PolarHBondContact O-N 3.42Å
459G87.5Confident89.9Confident14 Ų1440 Ų4014%0.14424%0.235CC..Hα-helixtrans-65.2-45176.300000112.9Y314 S457 L461 V462 D463Y314-G459 VanDerWaalsContact CD2-CA 3.5Å; S457-G459 PolarHBondContact O-N 3.04Å; G459-L461 VanDerWaalsContact C-N 3.27Å; G459-L461 PolarHBondContact O-N 3.47Å; G459-V462 PolarHBondContact O-N 3.35Å; G459-D463 PolarHBondContact O-N 3.12Å; G459-D463 VanDerWaalsContact O-N 3.1Å
460V89.1Confident88.6Confident63 Ų6340.7 Ų40.738%0.38224%0.237SC..Hα-helixtrans-61.8-38.9175.1171.10000111P456 S457 D463 K464P456-V460 HydrophobicContact CB-CB 4.25Å; P456-V460 HydrophobicContact CB-CG1 4Å; S457-V460 PolarHBondContact O-N 2.87Å; S457-V460 WeakPolarHBondContact OG-CG2 3.44Å; S457-V460 PolarHBondContact OG-N 3.08Å; V460-D463 PolarHBondContact O-N 2.92Å; V460-K464 HydrophobicContact CG1-CD 4.29Å; V460-K464 WeakPolarHBondContact O-CG 3.5Å; V460-K464 PolarHBondContact O-N 3.48Å; V460-K464 VanDerWaalsContact O-N 3.11Å
461L94.1Very high87.4Confident0 Ų042.5 Ų42.50%025%0.248CC..Hα-helixtrans-63.8-45.1177.3-179.161.2000111.9A310 L395 L399 M443 P456 S457 A458 G459 D463 K464 L465A310-L461 HydrophobicContact CB-CD2 3.98Å; A310-L461 HydrophobicContact CB-CG 4.09Å; L395-L461 HydrophobicContact CD2-CD2 3.65Å; L399-L461 HydrophobicContact CD1-CD1 4.46Å; L399-L461 HydrophobicContact CD1-CD2 4.3Å; M443-L461 HydrophobicContact CB-CD1 4.07Å; M443-L461 HydrophobicContact CG-CD1 4.48Å; P456-L461 HydrophobicContact CG-CB 4.35Å; P456-L461 HydrophobicContact CG-CD1 4.47Å; S457-L461 WeakPolarHBondContact O-CB 3.49Å; S457-L461 PolarHBondContact O-N 2.63Å; A458-L461 WeakPolarHBondContact O-CB 3.45Å; A458-L461 PolarHBondContact O-N 3.39Å; G459-L461 VanDerWaalsContact C-N 3.27Å; G459-L461 PolarHBondContact O-N 3.47Å; L461-D463 VanDerWaalsContact C-N 3.33Å; L461-D463 PolarHBondContact O-N 3.41Å; L461-K464 PolarHBondContact O-N 3.18Å; L461-L465 HydrophobicContact CD1-CD1 3.9Å; L461-L465 HydrophobicContact CD1-CG 4.14Å; L461-L465 HydrophobicContact CG-CD1 3.82Å; L461-L465 HydrophobicContact CG-CG 4.46Å; L461-L465 WeakPolarHBondContact O-CB 3.31Å; L461-L465 WeakPolarHBondContact O-CG 3.46Å; L461-L465 PolarHBondContact O-N 2.98Å
462V91.4Very high86.1Confident0 Ų039.6 Ų39.60%023%0.234CC..Hα-helixtrans-57-45.9175.41660000111.2L307 A310 Q311 Y314 A458 G459 K464 L465 R466L307-V462 HydrophobicContact CD1-CB 4.44Å; L307-V462 HydrophobicContact CD1-CG1 4Å; A310-V462 HydrophobicContact CB-CG2 3.88Å; Q311-V462 HydrophobicContact CG-CG1 4.03Å; Q311-V462 HydrophobicContact CG-CG2 3.93Å; Y314-V462 HydrophobicContact CD1-CG2 4.41Å; Y314-V462 HydrophobicContact CG-CG2 4.34Å; A458-V462 WeakPolarHBondContact O-CG2 3.43Å; A458-V462 PolarHBondContact O-N 3.42Å; G459-V462 PolarHBondContact O-N 3.35Å; V462-K464 PolarHBondContact O-N 3.43Å; V462-L465 PolarHBondContact O-N 3.37Å; V462-R466 WeakPolarHBondContact O-CB 3.2Å; V462-R466 PolarHBondContact O-N 3.26Å
463D82.5Confident84.4Confident28 Ų2843.7 Ų43.715%0.1525%0.249CC..Hα-helixtrans-63.1-44.1-179-743.3000112.5R105 G459 V460 L461 R466 S467R105-D463 IonicContact CZ-OD1 2.78Å; R105-D463 IonicContact CZ-OD2 3.56Å; R105-D463 IonicContact NE-OD1 3.22Å; R105-D463 PolarHBondContact NE-OD1 2.91Å; R105-D463 IonicContact NE-OD2 3.72Å; R105-D463 IonicContact NH1-OD1 2.99Å; R105-D463 PolarHBondContact NH1-OD1 2.75Å; R105-D463 IonicContact NH1-OD2 3.3Å; R105-D463 PolarHBondContact NH1-OD2 2.94Å; R105-D463 IonicContact NH2-OD1 2.7Å; R105-D463 PolarHBondContact NH2-OD1 3.47Å; R105-D463 IonicContact NH2-OD2 3.76Å; R105-D463 PolarHBondContact NH2-OD2 2.93Å; G459-D463 PolarHBondContact O-N 3.12Å; G459-D463 VanDerWaalsContact O-N 3.1Å; V460-D463 PolarHBondContact O-N 2.92Å; L461-D463 VanDerWaalsContact C-N 3.33Å; L461-D463 PolarHBondContact O-N 3.41Å; D463-R466 PolarHBondContact O-N 3.32Å; D463-S467 PolarHBondContact O-N 3.03Å; D463-S467 VanDerWaalsContact O-N 3.16Å; D463-S467 PolarHBondContact O-OG 2.79Å
464K86.9Confident82.5Confident94 Ų9446.9 Ų46.941%0.40925%0.25SC..Hα-helixtrans-67.7-42.8177.9-69.2-173.5-179.1-171.90111.5M443 V460 L461 V462 R466 S467 V468M443-K464 HydrophobicContact CE-CD 3.8Å; M443-K464 HydrophobicContact CG-CB 4.28Å; M443-K464 HydrophobicContact SD-CB 3.58Å; M443-K464 VanDerWaalsContact SD-CB 3.58Å; M443-K464 HydrophobicContact SD-CD 3.19Å; M443-K464 WeakPolarHBondContact SD-CD 3.44Å; M443-K464 HydrophobicContact SD-CG 4.02Å; V460-K464 HydrophobicContact CG1-CD 4.29Å; V460-K464 WeakPolarHBondContact O-CG 3.5Å; V460-K464 PolarHBondContact O-N 3.48Å; V460-K464 VanDerWaalsContact O-N 3.11Å; L461-K464 PolarHBondContact O-N 3.18Å; V462-K464 PolarHBondContact O-N 3.43Å; K464-R466 VanDerWaalsContact C-N 3.33Å; K464-R466 PolarHBondContact O-N 3.38Å; K464-S467 WeakPolarHBondContact O-CB 3.43Å; K464-S467 PolarHBondContact O-N 3.1Å; K464-S467 VanDerWaalsContact O-N 3.16Å; K464-V468 WeakPolarHBondContact O-CG2 3.29Å; K464-V468 PolarHBondContact O-N 3.02Å
465L87.9Confident80.2Confident1 Ų153.1 Ų53.11%0.00527%0.27CS..Hα-helixtrans-65.1-34.4177.3-73.7170.4000112.7C306 L307 A310 L399 L440 L461 V462 S467 V468 L469C306-L465 HydrophobicContact CB-CD1 4.31Å; C306-L465 HydrophobicContact CB-CD2 4.11Å; L307-L465 HydrophobicContact CB-CB 4.2Å; L307-L465 HydrophobicContact CD1-CB 3.92Å; A310-L465 HydrophobicContact CB-CD1 3.75Å; L399-L465 HydrophobicContact CD1-CD1 4.49Å; L440-L465 HydrophobicContact CD1-CD2 3.57Å; L461-L465 HydrophobicContact CD1-CD1 3.9Å; L461-L465 HydrophobicContact CD1-CG 4.14Å; L461-L465 HydrophobicContact CG-CD1 3.82Å; L461-L465 HydrophobicContact CG-CG 4.46Å; L461-L465 WeakPolarHBondContact O-CB 3.31Å; L461-L465 WeakPolarHBondContact O-CG 3.46Å; L461-L465 PolarHBondContact O-N 2.98Å; V462-L465 PolarHBondContact O-N 3.37Å; L465-S467 VanDerWaalsContact C-N 3.33Å; L465-V468 WeakPolarHBondContact O-CB 3.45Å; L465-V468 PolarHBondContact O-N 3.36Å; L465-L469 PolarHBondContact O-N 3.12Å; L465-L469 VanDerWaalsContact O-N 3.11Å
466R84.4Confident79.3Confident36 Ų3655 Ų5514%0.13628%0.281CS..Hα-helixtrans-63.7-41.4172.4-168.1177-66.8-145.31.3111.5S101 V462 D463 K464 V468 L469 V470S101-R466 PolarHBondContact OG-NH2 3.38Å; V462-R466 WeakPolarHBondContact O-CB 3.2Å; V462-R466 PolarHBondContact O-N 3.26Å; D463-R466 PolarHBondContact O-N 3.32Å; K464-R466 VanDerWaalsContact C-N 3.33Å; K464-R466 PolarHBondContact O-N 3.38Å; R466-V468 VanDerWaalsContact C-N 3.3Å; R466-V468 PolarHBondContact O-N 2.96Å; R466-L469 PolarHBondContact O-N 3.14Å; R466-V470 WeakPolarHBondContact O-CG2 3.37Å; R466-V470 PolarHBondContact O-N 2.71Å; R466-V470 VanDerWaalsContact O-N 3.12Å
467S79.8Confident78.5Confident66 Ų6656.9 Ų56.946%0.46229%0.29SS..Hα-helixtrans-61.6-39175.6-550000111.9D463 K464 L465 V470 Q471D463-S467 PolarHBondContact O-N 3.03Å; D463-S467 VanDerWaalsContact O-N 3.16Å; D463-S467 PolarHBondContact O-OG 2.79Å; K464-S467 WeakPolarHBondContact O-CB 3.43Å; K464-S467 PolarHBondContact O-N 3.1Å; K464-S467 VanDerWaalsContact O-N 3.16Å; L465-S467 VanDerWaalsContact C-N 3.33Å; S467-V470 PolarHBondContact O-N 2.92Å; S467-Q471 WeakPolarHBondContact O-CG 3.28Å; S467-Q471 PolarHBondContact O-N 3.07Å
468V80Confident77.8Confident6 Ų656.3 Ų56.34%0.03628%0.279CS..Hα-helixtrans-60.8-43.8174.4170.20000111.4A303 L440 K464 L465 R466 V470 Q471 F472A303-V468 HydrophobicContact CB-CG1 4.36Å; L440-V468 HydrophobicContact CB-CG1 4.31Å; K464-V468 WeakPolarHBondContact O-CG2 3.29Å; K464-V468 PolarHBondContact O-N 3.02Å; L465-V468 WeakPolarHBondContact O-CB 3.45Å; L465-V468 PolarHBondContact O-N 3.36Å; R466-V468 VanDerWaalsContact C-N 3.3Å; R466-V468 PolarHBondContact O-N 2.96Å; V468-V470 PolarHBondContact O-N 3.39Å; V468-Q471 WeakPolarHBondContact O-CB 3.16Å; V468-Q471 PolarHBondContact O-N 2.96Å; V468-F472 HydrophobicContact CG1-CD2 4.09Å; V468-F472 HydrophobicContact CG1-CE2 3.49Å; V468-F472 VanDerWaalsContact CG1-CE2 3.49Å; V468-F472 HydrophobicContact CG1-CZ 4.39Å; V468-F472 WeakPolarHBondContact O-CD2 3.47Å; V468-F472 PolarHBondContact O-N 2.91Å
469L75.9Confident77Confident29 Ų2959.5 Ų59.515%0.15229%0.294CS..Hα-helixtrans-63.3-41.6177.1-78.2171.9000113.1A303 L307 L465 R466 Q471 F472 E473A303-L469 HydrophobicContact CB-CD2 3.71Å; A303-L469 HydrophobicContact CB-CG 4.29Å; L307-L469 HydrophobicContact CB-CD1 4.08Å; L307-L469 HydrophobicContact CD2-CD1 3.43Å; L307-L469 VanDerWaalsContact CD2-CD1 3.43Å; L307-L469 HydrophobicContact CG-CD1 4.38Å; L465-L469 PolarHBondContact O-N 3.12Å; L465-L469 VanDerWaalsContact O-N 3.11Å; R466-L469 PolarHBondContact O-N 3.14Å; L469-Q471 PolarHBondContact O-N 3.13Å; L469-F472 PolarHBondContact O-N 3.32Å; L469-F472 VanDerWaalsContact O-N 3.08Å; L469-E473 PolarHBondContact O-N 2.92Å; L469-E473 VanDerWaalsContact O-N 3.12Å
470V72.3Confident76.3Confident31 Ų3162.3 Ų62.319%0.18830%0.304CS..Hα-helixtrans-60.4-32.7176173.50000111.6R466 S467 V468 E473 K474R466-V470 WeakPolarHBondContact O-CG2 3.37Å; R466-V470 PolarHBondContact O-N 2.71Å; R466-V470 VanDerWaalsContact O-N 3.12Å; S467-V470 PolarHBondContact O-N 2.92Å; V468-V470 PolarHBondContact O-N 3.39Å; V470-E473 PolarHBondContact O-N 3.28Å; V470-K474 HydrophobicContact CG1-CD 4.35Å; V470-K474 WeakPolarHBondContact O-CG 3.44Å; V470-K474 PolarHBondContact O-N 2.92Å
471Q72Confident75.5Confident99 Ų9962.3 Ų62.346%0.46330%0.298SS..Hα-helixtrans-66.5-40.4175.1-68.2171.6-5.500112S439 S467 V468 L469 E473 K474S439-Q471 PolarHBondContact OG-OE1 2.88Å; S467-Q471 WeakPolarHBondContact O-CG 3.28Å; S467-Q471 PolarHBondContact O-N 3.07Å; V468-Q471 WeakPolarHBondContact O-CB 3.16Å; V468-Q471 PolarHBondContact O-N 2.96Å; L469-Q471 PolarHBondContact O-N 3.13Å; Q471-E473 VanDerWaalsContact C-N 3.32Å; Q471-E473 PolarHBondContact O-N 3.31Å; Q471-K474 PolarHBondContact O-N 3.23Å
472F68Low74.1Confident33 Ų3366.7 Ų66.715%0.14532%0.32CS..Hα-helixtrans-67.4-30.5176-71.6-65.7000113.4W299 T300 A303 P437 V468 L469 K474W299-F472 HydrophobicContact CB-CE1 4.05Å; W299-F472 HydrophobicContact CB-CZ 4.13Å; T300-F472 HydrophobicContact CG2-CB 3.78Å; T300-F472 HydrophobicContact CG2-CD1 4.05Å; T300-F472 HydrophobicContact CG2-CG 3.94Å; A303-F472 HydrophobicContact CB-CD2 4.17Å; A303-F472 HydrophobicContact CB-CE2 3.68Å; P437-F472 HydrophobicContact CB-CE1 4.24Å; P437-F472 HydrophobicContact CB-CZ 3.78Å; P437-F472 HydrophobicContact CG-CE1 3.8Å; P437-F472 HydrophobicContact CG-CZ 3.57Å; V468-F472 HydrophobicContact CG1-CD2 4.09Å; V468-F472 HydrophobicContact CG1-CE2 3.49Å; V468-F472 VanDerWaalsContact CG1-CE2 3.49Å; V468-F472 HydrophobicContact CG1-CZ 4.39Å; V468-F472 WeakPolarHBondContact O-CD2 3.47Å; V468-F472 PolarHBondContact O-N 2.91Å; L469-F472 PolarHBondContact O-N 3.32Å; L469-F472 VanDerWaalsContact O-N 3.08Å; F472-K474 VanDerWaalsContact C-N 3.28Å; F472-K474 PolarHBondContact O-N 2.83Å
473E59.8Low72.8Confident126 Ų12671.8 Ų71.859%0.58934%0.344SS*.Hα-helixtrans-74.9-18.3178.9-70-179.6170.800113.6L469 V470 Q471L469-E473 PolarHBondContact O-N 2.92Å; L469-E473 VanDerWaalsContact O-N 3.12Å; V470-E473 PolarHBondContact O-N 3.28Å; Q471-E473 VanDerWaalsContact C-N 3.32Å; Q471-E473 PolarHBondContact O-N 3.31Å
474K50.6Low72Confident172 Ų17275.5 Ų75.575%0.74836%0.361SS*.THydrogen-bonded Turntrans-91.2-11179.8-71.9176.7180177.60113.5V470 Q471 F472V470-K474 HydrophobicContact CG1-CD 4.35Å; V470-K474 WeakPolarHBondContact O-CG 3.44Å; V470-K474 PolarHBondContact O-N 2.92Å; Q471-K474 PolarHBondContact O-N 3.23Å; F472-K474 VanDerWaalsContact C-N 3.28Å; F472-K474 PolarHBondContact O-N 2.83Å
475Q46.5Very low70.6Confident213 Ų21373.8 Ų73.8100%0.99536%0.356SS*.  trans-95.30172.9-66.6178.9-0.100109.7

Retrieved 475 of 475 residues in 100.7 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).