A0A077ZPB0_TRITR Loading...

Protein clc protein cbr clc-4 protein cbr clc-1 cre clc-4 protein cre clc-1 protein cbn clc-4 protein cbn clc-1 protein

AlphaFold DB , UniProt , Accession A0A077ZPB0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 179 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M57.8Low80.8Confident205 Ų20566.8 Ų66.8100%1.0138%0.376SS*.  0-42.20-69.3-176.9169.900112.5V3 T4 V5M1-V3 PolarHBondContact O-N 3.2Å; M1-T4 PolarHBondContact O-N 3.16Å; M1-T4 PolarHBondContact O-OG1 3.03Å; M1-V5 PolarHBondContact O-N 2.78Å
2C65.8Low81.9Confident87 Ų8765 Ų6559%0.58838%0.376SS*.Hα-helixtrans-58.2-46.6179.8-54.80000113.1T4 V5 F6C2-T4 VanDerWaalsContact C-N 3.33Å; C2-T4 PolarHBondContact O-N 2.89Å; C2-V5 PolarHBondContact O-N 2.7Å; C2-F6 HydrophobicContact CB-CE2 4.5Å; C2-F6 WeakPolarHBondContact O-CD2 2.92Å; C2-F6 PolarHBondContact O-N 2.77Å; C2-F6 VanDerWaalsContact O-N 3.1Å
3V75.7Confident82.7Confident15 Ų1560.8 Ų60.89%0.09136%0.356CS..Hα-helixtrans-64-34.9-176.1-165.80000112.7M1 Q7 L170 C177M1-V3 PolarHBondContact O-N 3.2Å; V3-Q7 VanDerWaalsContact O-CB 3.31Å; V3-Q7 WeakPolarHBondContact O-CB 3.36Å; V3-Q7 PolarHBondContact O-N 2.9Å; V3-L170 HydrophobicContact CG1-CD2 4.16Å; V3-C177 HydrophobicContact CG2-CB 4.47Å
4T78Confident83.3Confident54 Ų5456.6 Ų56.633%0.33133%0.331SS..Hα-helixtrans-70-37.5177.547.40000111.9M1 C2 Q7 V8M1-T4 PolarHBondContact O-N 3.16Å; M1-T4 PolarHBondContact O-OG1 3.03Å; C2-T4 VanDerWaalsContact C-N 3.33Å; C2-T4 PolarHBondContact O-N 2.89Å; T4-Q7 PolarHBondContact O-N 2.84Å; T4-V8 WeakPolarHBondContact O-CG2 3.45Å; T4-V8 PolarHBondContact O-N 2.69Å
5V83.1Confident84Confident92 Ų9255.9 Ų55.956%0.55833%0.334SS*.Hα-helixtrans-64.6-50.4176.4176.20000110.2M1 C2 Q7 V8 V9M1-V5 PolarHBondContact O-N 2.78Å; C2-V5 PolarHBondContact O-N 2.7Å; V5-Q7 PolarHBondContact O-N 2.74Å; V5-V8 PolarHBondContact O-N 2.69Å; V5-V9 HydrophobicContact CG1-CG2 4.45Å; V5-V9 WeakPolarHBondContact O-CG2 3.3Å; V5-V9 PolarHBondContact O-N 3.33Å
6F83.8Confident84.6Confident84 Ų8458 Ų5837%0.36834%0.342SS..Hα-helixtrans-59.8-35.5177.8-77.1-67.3000112.3C2 V9 Y10 V166 L170C2-F6 HydrophobicContact CB-CE2 4.5Å; C2-F6 WeakPolarHBondContact O-CD2 2.92Å; C2-F6 PolarHBondContact O-N 2.77Å; C2-F6 VanDerWaalsContact O-N 3.1Å; F6-V9 PolarHBondContact O-N 2.69Å; F6-Y10 WeakPolarHBondContact O-CB 3.39Å; F6-Y10 PolarHBondContact O-N 3.23Å; F6-V166 HydrophobicContact CD1-CG1 4.22Å; F6-L170 HydrophobicContact CB-CD1 4.44Å; F6-L170 HydrophobicContact CB-CD2 3.27Å; F6-L170 HydrophobicContact CB-CG 3.63Å; F6-L170 HydrophobicContact CG-CD2 4.42Å
7Q85.1Confident85Confident4 Ų454.6 Ų54.62%0.01932%0.322CS..Hα-helixtrans-72-37.1-179.5-173.1165-0.600112.2V3 T4 V5 Y10 V11 A94 Y98 L170V3-Q7 VanDerWaalsContact O-CB 3.31Å; V3-Q7 WeakPolarHBondContact O-CB 3.36Å; V3-Q7 PolarHBondContact O-N 2.9Å; T4-Q7 PolarHBondContact O-N 2.84Å; V5-Q7 PolarHBondContact O-N 2.74Å; Q7-Y10 PolarHBondContact O-N 3.24Å; Q7-V11 VanDerWaalsContact O-CG2 3.31Å; Q7-V11 WeakPolarHBondContact O-CG2 3.14Å; Q7-V11 PolarHBondContact O-N 2.89Å; Q7-A94 PolarHBondContact NE2-O 3.33Å; Q7-Y98 HydrophobicContact CG-CD2 4.38Å; Q7-Y98 VanDerWaalsContact NE2-CB 3.3Å; Q7-L170 HydrophobicContact CB-CD2 4.19Å
8V87.6Confident85.4Confident88 Ų8855.7 Ų55.753%0.53332%0.322SS..Hα-helixtrans-66.2-44.2173.5172.60000110.5T4 V5 Y10 V11 A12T4-V8 WeakPolarHBondContact O-CG2 3.45Å; T4-V8 PolarHBondContact O-N 2.69Å; V5-V8 PolarHBondContact O-N 2.69Å; V8-Y10 VanDerWaalsContact C-N 3.28Å; V8-Y10 PolarHBondContact O-N 2.76Å; V8-V11 PolarHBondContact O-N 2.85Å; V8-A12 VanDerWaalsContact O-CB 3.29Å; V8-A12 WeakPolarHBondContact O-CB 3.26Å; V8-A12 PolarHBondContact O-N 2.88Å
9V91.1Very high85.8Confident73 Ų7356.3 Ų56.344%0.44233%0.33SS..Hα-helixtrans-59.6-43.4175.7173.90000110.4V5 F6 A12 G13 V166V5-V9 HydrophobicContact CG1-CG2 4.45Å; V5-V9 WeakPolarHBondContact O-CG2 3.3Å; V5-V9 PolarHBondContact O-N 3.33Å; F6-V9 PolarHBondContact O-N 2.69Å; V9-A12 PolarHBondContact O-N 3.32Å; V9-G13 PolarHBondContact O-N 2.92Å; V9-V166 HydrophobicContact CG1-CG1 4.22Å; V9-V166 HydrophobicContact CG1-CG2 4.27Å
10Y90.5Very high86.2Confident0 Ų055.2 Ų55.20%032%0.322CS..Hα-helixtrans-63-49.4178.3174.3-97.6000113F6 Q7 V8 A12 G13 L14 A94 L111 T115 D163 A167 L170F6-Y10 WeakPolarHBondContact O-CB 3.39Å; F6-Y10 PolarHBondContact O-N 3.23Å; Q7-Y10 PolarHBondContact O-N 3.24Å; V8-Y10 VanDerWaalsContact C-N 3.28Å; V8-Y10 PolarHBondContact O-N 2.76Å; Y10-A12 VanDerWaalsContact C-N 3.28Å; Y10-A12 PolarHBondContact O-N 2.91Å; Y10-G13 PolarHBondContact O-N 2.97Å; Y10-L14 HydrophobicContact CD1-CD1 4.25Å; Y10-L14 HydrophobicContact CE1-CD1 3.5Å; Y10-L14 VanDerWaalsContact CE1-CD1 3.5Å; Y10-L14 HydrophobicContact CE1-CG 4.24Å; Y10-L14 HydrophobicContact CE2-CD1 4.3Å; Y10-L14 HydrophobicContact CE2-CG 4.34Å; Y10-L14 PolarHBondContact O-N 2.93Å; Y10-A94 HydrophobicContact CD1-CB 4.09Å; Y10-A94 HydrophobicContact CE1-CB 3.77Å; Y10-L111 HydrophobicContact CE1-CD2 3.82Å; Y10-L111 WeakPolarHBondContact OH-CD2 3.4Å; Y10-T115 HydrophobicContact CE2-CG2 3.78Å; Y10-T115 WeakPolarHBondContact OH-CG2 3.46Å; Y10-D163 WeakPolarHBondContact CA-OD1 3.5Å; Y10-D163 WeakPolarHBondContact CD2-OD2 3.35Å; Y10-D163 WeakPolarHBondContact CE2-OD2 3.14Å; Y10-A167 HydrophobicContact CD2-CB 3.85Å; Y10-A167 HydrophobicContact CE2-CB 3.47Å; Y10-A167 VanDerWaalsContact CE2-CB 3.47Å; Y10-L170 VanDerWaalsContact CB-CD1 3.49Å; Y10-L170 HydrophobicContact CD1-CD1 4.24Å; Y10-L170 HydrophobicContact CD2-CD1 4.18Å; Y10-L170 HydrophobicContact CG-CD1 3.71Å
11V90.7Very high86.4Confident33 Ų3352.8 Ų52.820%0.231%0.308CS..Hα-helixtrans-63.6-37.5178.1172.90000111.1Q7 V8 A15 A94Q7-V11 VanDerWaalsContact O-CG2 3.31Å; Q7-V11 WeakPolarHBondContact O-CG2 3.14Å; Q7-V11 PolarHBondContact O-N 2.89Å; V8-V11 PolarHBondContact O-N 2.85Å; V11-A15 WeakPolarHBondContact O-CB 3.47Å; V11-A15 PolarHBondContact O-N 2.82Å; V11-A94 HydrophobicContact CG2-CB 3.78Å
12A93Very high88Confident45 Ų4544.5 Ų44.537%0.37227%0.272SS..Hα-helixtrans-66.5-43.2175.200000112V8 V9 Y10 A15 I16V8-A12 VanDerWaalsContact O-CB 3.29Å; V8-A12 WeakPolarHBondContact O-CB 3.26Å; V8-A12 PolarHBondContact O-N 2.88Å; V9-A12 PolarHBondContact O-N 3.32Å; Y10-A12 VanDerWaalsContact C-N 3.28Å; Y10-A12 PolarHBondContact O-N 2.91Å; A12-A15 PolarHBondContact O-N 2.82Å; A12-I16 VanDerWaalsContact O-CG1 3.28Å; A12-I16 WeakPolarHBondContact O-CG1 3.49Å; A12-I16 PolarHBondContact O-N 3.33Å
13G92.3Very high89.3Confident11 Ų1142 Ų4211%0.11326%0.258CS..Hα-helixtrans-59.5-48.717600000112V9 Y10 A15 I16 S17 V159V9-G13 PolarHBondContact O-N 2.92Å; Y10-G13 PolarHBondContact O-N 2.97Å; G13-A15 PolarHBondContact O-N 2.89Å; G13-I16 PolarHBondContact O-N 2.79Å; G13-S17 WeakPolarHBondContact O-CB 3.12Å; G13-S17 PolarHBondContact O-N 2.8Å; G13-V159 WeakPolarHBondContact O-CG1 3.28Å
14L91.4Very high89.9Confident2 Ų241.3 Ų41.31%0.0125%0.254CS..Hα-helixtrans-57.8-44.9173.1-75.5-174.3000112.9Y10 I16 S17 F18 A90 T115 L160 D163Y10-L14 HydrophobicContact CD1-CD1 4.25Å; Y10-L14 HydrophobicContact CE1-CD1 3.5Å; Y10-L14 VanDerWaalsContact CE1-CD1 3.5Å; Y10-L14 HydrophobicContact CE1-CG 4.24Å; Y10-L14 HydrophobicContact CE2-CD1 4.3Å; Y10-L14 HydrophobicContact CE2-CG 4.34Å; Y10-L14 PolarHBondContact O-N 2.93Å; L14-I16 VanDerWaalsContact C-N 3.34Å; L14-I16 PolarHBondContact O-N 3.4Å; L14-S17 PolarHBondContact O-N 3.4Å; L14-F18 VanDerWaalsContact O-CB 3.22Å; L14-F18 WeakPolarHBondContact O-CB 3.26Å; L14-F18 PolarHBondContact O-N 2.69Å; L14-A90 HydrophobicContact CD1-CB 3.82Å; L14-T115 HydrophobicContact CD2-CG2 3.82Å; L14-L160 HydrophobicContact CD2-CD1 3.91Å; L14-D163 VanDerWaalsContact CD2-OD2 3.26Å; L14-D163 WeakPolarHBondContact CD2-OD2 3Å; L14-D163 VanDerWaalsContact CG-OD2 3.24Å; L14-D163 WeakPolarHBondContact CG-OD2 3.32Å
15A93.4Very high90.5Very high45 Ų4539.8 Ų39.837%0.37224%0.244SC..Hα-helixtrans-63.4-41.2-179.500000111.9V11 A12 G13 S19V11-A15 WeakPolarHBondContact O-CB 3.47Å; V11-A15 PolarHBondContact O-N 2.82Å; A12-A15 PolarHBondContact O-N 2.82Å; G13-A15 PolarHBondContact O-N 2.89Å; A15-S19 VanDerWaalsContact O-CB 3.26Å; A15-S19 WeakPolarHBondContact O-CB 3.33Å; A15-S19 PolarHBondContact O-N 2.81Å; A15-S19 PolarHBondContact O-OG 2.93Å
16I93.6Very high90.7Very high90 Ų9039.4 Ų39.446%0.46225%0.25SC..Hα-helixtrans-65.6-50.9176.1-67.4164.8000110A12 G13 L14 S19 L20 V159A12-I16 VanDerWaalsContact O-CG1 3.28Å; A12-I16 WeakPolarHBondContact O-CG1 3.49Å; A12-I16 PolarHBondContact O-N 3.33Å; G13-I16 PolarHBondContact O-N 2.79Å; L14-I16 VanDerWaalsContact C-N 3.34Å; L14-I16 PolarHBondContact O-N 3.4Å; I16-S19 PolarHBondContact O-N 2.88Å; I16-L20 HydrophobicContact CG2-CD1 3.75Å; I16-L20 HydrophobicContact CG2-CG 4.28Å; I16-L20 WeakPolarHBondContact O-CB 3.5Å; I16-L20 VanDerWaalsContact O-CG 3.27Å; I16-L20 WeakPolarHBondContact O-CG 2.99Å; I16-L20 PolarHBondContact O-N 2.97Å; I16-V159 HydrophobicContact CB-CG1 4.29Å; I16-V159 HydrophobicContact CG2-CG1 4.15Å; I16-V159 HydrophobicContact CG2-CG2 4.31Å
17S92Very high90.8Very high1 Ų138.5 Ų38.51%0.00725%0.249CC..Hα-helixtrans-58.8-51.6-179.7175.70000111.5G13 L14 S19 L20 T21 G156 L160G13-S17 WeakPolarHBondContact O-CB 3.12Å; G13-S17 PolarHBondContact O-N 2.8Å; L14-S17 PolarHBondContact O-N 3.4Å; S17-S19 VanDerWaalsContact C-N 3.31Å; S17-S19 PolarHBondContact O-N 3.03Å; S17-L20 PolarHBondContact O-N 3.29Å; S17-T21 PolarHBondContact O-N 3.23Å; S17-T21 PolarHBondContact O-OG1 2.8Å; S17-T21 VanDerWaalsContact O-OG1 3.14Å; S17-G156 WeakPolarHBondContact CB-O 3.46Å; S17-G156 PolarHBondContact OG-O 3.42Å; S17-L160 WeakPolarHBondContact OG-CB 3.46Å
18F91.8Very high90.5Very high73 Ų7339.7 Ų39.732%0.3226%0.257SS..Hα-helixtrans-55.9-44.4175.3159.9-102000112L14 T21 A22 V84 C87 V88L14-F18 VanDerWaalsContact O-CB 3.22Å; L14-F18 WeakPolarHBondContact O-CB 3.26Å; L14-F18 PolarHBondContact O-N 2.69Å; F18-T21 PolarHBondContact O-N 3.27Å; F18-A22 HydrophobicContact CD2-CB 4.49Å; F18-A22 HydrophobicContact CE2-CB 4.16Å; F18-A22 HydrophobicContact CZ-CB 4.33Å; F18-A22 WeakPolarHBondContact O-CB 3.4Å; F18-A22 PolarHBondContact O-N 2.82Å; F18-V84 HydrophobicContact CD2-CB 4.39Å; F18-V84 HydrophobicContact CD2-CG1 3.63Å; F18-V84 HydrophobicContact CD2-CG2 4.4Å; F18-V84 HydrophobicContact CE2-CG1 3.45Å; F18-V84 VanDerWaalsContact CE2-CG1 3.45Å; F18-C87 HydrophobicContact CB-CB 4.22Å; F18-V88 HydrophobicContact CD2-CG2 3.85Å; F18-V88 HydrophobicContact CE2-CG2 3.68Å; F18-V88 HydrophobicContact CG-CG2 4.48Å; F18-V88 HydrophobicContact CZ-CG2 4.18Å
19S93.2Very high90.4Very high67 Ų6736.9 Ų36.947%0.46924%0.239SC..Hα-helixtrans-65.9-40.1-179.2-59.70000111.8A15 I16 S17 A23A15-S19 VanDerWaalsContact O-CB 3.26Å; A15-S19 WeakPolarHBondContact O-CB 3.33Å; A15-S19 PolarHBondContact O-N 2.81Å; A15-S19 PolarHBondContact O-OG 2.93Å; I16-S19 PolarHBondContact O-N 2.88Å; S17-S19 VanDerWaalsContact C-N 3.31Å; S17-S19 PolarHBondContact O-N 3.03Å; S19-A23 WeakPolarHBondContact O-CB 3.36Å; S19-A23 PolarHBondContact O-N 3.07Å
20L93.7Very high90Very high35 Ų3533.4 Ų33.418%0.18322%0.218CC..Hα-helixtrans-66.9-45.5177.2-70.3173.6000111.6I16 S17 A23 S24 L152 T155I16-L20 HydrophobicContact CG2-CD1 3.75Å; I16-L20 HydrophobicContact CG2-CG 4.28Å; I16-L20 WeakPolarHBondContact O-CB 3.5Å; I16-L20 VanDerWaalsContact O-CG 3.27Å; I16-L20 WeakPolarHBondContact O-CG 2.99Å; I16-L20 PolarHBondContact O-N 2.97Å; S17-L20 PolarHBondContact O-N 3.29Å; L20-A23 PolarHBondContact O-N 3.37Å; L20-S24 WeakPolarHBondContact O-CB 3.47Å; L20-S24 PolarHBondContact O-N 3.27Å; L20-L152 HydrophobicContact CD2-CD2 3.65Å; L20-T155 HydrophobicContact CD1-CG2 3.84Å
21T90.5Very high89.6Confident4 Ų433.7 Ų33.73%0.02522%0.219CC..Hα-helixtrans-70.2-37.8178-52.70000111.7S17 F18 S24 I25 V84S17-T21 PolarHBondContact O-N 3.23Å; S17-T21 PolarHBondContact O-OG1 2.8Å; S17-T21 VanDerWaalsContact O-OG1 3.14Å; F18-T21 PolarHBondContact O-N 3.27Å; T21-S24 WeakPolarHBondContact CA-OG 3.3Å; T21-S24 PolarHBondContact O-N 3.14Å; T21-S24 PolarHBondContact O-OG 2.85Å; T21-I25 HydrophobicContact CG2-CD1 4.14Å; T21-I25 WeakPolarHBondContact O-CD1 3.31Å; T21-I25 WeakPolarHBondContact O-CG1 3.46Å; T21-I25 PolarHBondContact O-N 2.83Å; T21-V84 HydrophobicContact CG2-CG2 3.73Å
22A91.7Very high89Confident31 Ų3134.5 Ų34.526%0.25622%0.221SC..Hα-helixtrans-66.8-41.4174.100000111.6F18 S24 I25 A26F18-A22 HydrophobicContact CD2-CB 4.49Å; F18-A22 HydrophobicContact CE2-CB 4.16Å; F18-A22 HydrophobicContact CZ-CB 4.33Å; F18-A22 WeakPolarHBondContact O-CB 3.4Å; F18-A22 PolarHBondContact O-N 2.82Å; A22-S24 VanDerWaalsContact C-N 3.33Å; A22-I25 PolarHBondContact O-N 3.09Å; A22-A26 WeakPolarHBondContact O-CB 3.36Å; A22-A26 PolarHBondContact O-N 2.74Å
23A92.2Very high88.2Confident35 Ų3534.6 Ų34.629%0.28921%0.213SC..Hα-helixtrans-63.3-40.9174.200000111.1S19 L20 I25 A26 L27 L152S19-A23 WeakPolarHBondContact O-CB 3.36Å; S19-A23 PolarHBondContact O-N 3.07Å; L20-A23 PolarHBondContact O-N 3.37Å; A23-I25 PolarHBondContact O-N 3.01Å; A23-A26 PolarHBondContact O-N 3.04Å; A23-L27 HydrophobicContact CB-CD1 4.38Å; A23-L27 VanDerWaalsContact O-CB 3.29Å; A23-L27 WeakPolarHBondContact O-CB 3.49Å; A23-L27 WeakPolarHBondContact O-CD1 2.98Å; A23-L27 WeakPolarHBondContact O-CG 3.15Å; A23-L27 PolarHBondContact O-N 2.81Å; A23-L152 HydrophobicContact CB-CD1 4.46Å
24S90.1Very high87.2Confident0 Ų039 Ų390%023%0.231CC..Hα-helixtrans-64.4-42.9177.971.70000111.8L20 T21 A22 A26 W30 S149L20-S24 WeakPolarHBondContact O-CB 3.47Å; L20-S24 PolarHBondContact O-N 3.27Å; T21-S24 WeakPolarHBondContact CA-OG 3.3Å; T21-S24 PolarHBondContact O-N 3.14Å; T21-S24 PolarHBondContact O-OG 2.85Å; A22-S24 VanDerWaalsContact C-N 3.33Å; S24-A26 VanDerWaalsContact C-N 3.29Å; S24-A26 PolarHBondContact O-N 3.29Å; S24-W30 PolarHBondContact O-NE1 3.29Å; S24-S149 WeakPolarHBondContact CA-OG 3.36Å; S24-S149 WeakPolarHBondContact CB-O 3.29Å; S24-S149 WeakPolarHBondContact CB-OG 3.37Å; S24-S149 PolarHBondContact O-OG 3.24Å
25I89.3Confident86.2Confident23 Ų2343.1 Ų43.112%0.11825%0.25CS..Hα-helixtrans-63.2-38.5176.9-65.7165.5000111.3T21 A22 A23 F47 L80 V84T21-I25 HydrophobicContact CG2-CD1 4.14Å; T21-I25 WeakPolarHBondContact O-CD1 3.31Å; T21-I25 WeakPolarHBondContact O-CG1 3.46Å; T21-I25 PolarHBondContact O-N 2.83Å; A22-I25 PolarHBondContact O-N 3.09Å; A23-I25 PolarHBondContact O-N 3.01Å; I25-F47 HydrophobicContact CG2-CD2 4.19Å; I25-F47 HydrophobicContact CG2-CE2 3.57Å; I25-L80 HydrophobicContact CD1-CB 3.95Å; I25-L80 HydrophobicContact CG1-CB 4.35Å; I25-L80 HydrophobicContact CG1-CD1 4.5Å; I25-V84 HydrophobicContact CD1-CG2 4Å
26A87.3Confident84.7Confident83 Ų8348.3 Ų48.369%0.68627%0.267SS*.Hα-helixtrans-77.9-31.8-176.900000113.8A22 A23 S24A22-A26 WeakPolarHBondContact O-CB 3.36Å; A22-A26 PolarHBondContact O-N 2.74Å; A23-A26 PolarHBondContact O-N 3.04Å; S24-A26 VanDerWaalsContact C-N 3.29Å; S24-A26 PolarHBondContact O-N 3.29Å
27L85.7Confident83.3Confident66 Ų6651.8 Ų51.835%0.34629%0.286SS..  trans-79.9132-175.4-74165.8000111.6A23 N29 L152A23-L27 HydrophobicContact CB-CD1 4.38Å; A23-L27 VanDerWaalsContact O-CB 3.29Å; A23-L27 WeakPolarHBondContact O-CB 3.49Å; A23-L27 WeakPolarHBondContact O-CD1 2.98Å; A23-L27 WeakPolarHBondContact O-CG 3.15Å; A23-L27 PolarHBondContact O-N 2.81Å; L27-N29 PolarHBondContact O-N 3.23Å; L27-L152 HydrophobicContact CD1-CD1 3.6Å
28P80.1Confident81.9Confident29 Ų2953.7 Ų53.719%0.18830%0.299CS..SBendtrans-75.516.4179.431.8-34.7000114.6Y43 T44 G45P28-Y43 CarbonylContact O-C 3.5Å; P28-Y43 VanDerWaalsContact O-C 3.22Å; P28-Y43 WeakPolarHBondContact O-CB 3.32Å; P28-T44 CarbonylContact O-C 3.22Å; P28-T44 PolarHBondContact O-N 3.36Å; P28-T44 VanDerWaalsContact O-O 3.14Å; P28-G45 PolarHBondContact O-N 3.44Å; P28-G45 VanDerWaalsContact O-N 3.1Å
29N83.8Confident80.9Confident29 Ų2953.5 Ų53.516%0.15531%0.311CS..  trans-109.650.5-168.7-62.34.5000112L27 Y43 G147 M148 S149L27-N29 PolarHBondContact O-N 3.23Å; N29-Y43 HydrophobicContact CB-CD1 4.4Å; N29-Y43 VanDerWaalsContact OD1-CD1 3.3Å; N29-Y43 WeakPolarHBondContact OD1-CD1 3.22Å; N29-G147 CarbonylContact O-C 3.51Å; N29-G147 WeakPolarHBondContact O-CA 3.33Å; N29-M148 PolarHBondContact O-N 3.49Å; N29-S149 WeakPolarHBondContact O-CA 3.1Å; N29-S149 WeakPolarHBondContact O-CB 3.5Å; N29-S149 PolarHBondContact O-N 3.45Å
30W83.8Confident79.9Confident0 Ų054.5 Ų54.50%031%0.307CS..SBendtrans-81.3-39.3173.5-78.968.9000111.3S24 T44 L46 L80 L126 I129 I135 G147 S149 L150 A153S24-W30 PolarHBondContact O-NE1 3.29Å; W30-T44 WeakPolarHBondContact CA-O 3.26Å; W30-T44 VanDerWaalsContact CB-O 3.31Å; W30-T44 WeakPolarHBondContact CB-O 3.2Å; W30-T44 PolarHBondContact N-O 3.05Å; W30-L46 HydrophobicContact CD2-CD1 3.44Å; W30-L46 VanDerWaalsContact CD2-CD1 3.44Å; W30-L46 HydrophobicContact CE3-CD1 3.88Å; W30-L46 HydrophobicContact CG-CD1 3.86Å; W30-L46 HydrophobicContact CH2-CD1 4.14Å; W30-L46 HydrophobicContact CZ2-CD1 3.73Å; W30-L46 HydrophobicContact CZ2-CD2 4.05Å; W30-L46 HydrophobicContact CZ3-CD1 4.21Å; W30-L80 HydrophobicContact CH2-CD1 3.97Å; W30-L80 HydrophobicContact CZ2-CD1 4.27Å; W30-L126 HydrophobicContact CH2-CD2 3.88Å; W30-L126 HydrophobicContact CZ3-CD2 4.06Å; W30-I129 HydrophobicContact CE3-CG2 4.08Å; W30-I129 HydrophobicContact CH2-CD1 4.31Å; W30-I129 HydrophobicContact CZ3-CD1 4.36Å; W30-I129 HydrophobicContact CZ3-CG2 3.94Å; W30-I135 HydrophobicContact CB-CD1 4.26Å; W30-G147 PolarHBondContact O-N 2.88Å; W30-S149 VanDerWaalsContact CD1-CB 3.5Å; W30-S149 VanDerWaalsContact CD1-OG 3.26Å; W30-S149 PolarHBondContact NE1-OG 3.16Å; W30-L150 HydrophobicContact CD2-CB 4.33Å; W30-L150 HydrophobicContact CE3-CB 3.86Å; W30-L150 HydrophobicContact CE3-CD1 4.07Å; W30-L150 HydrophobicContact CE3-CG 4.19Å; W30-L150 HydrophobicContact CZ3-CB 4.31Å; W30-L150 HydrophobicContact CZ3-CD1 4.43Å; W30-L150 HydrophobicContact CZ3-CG 4.34Å; W30-A153 HydrophobicContact CH2-CB 4.03Å; W30-A153 HydrophobicContact CZ2-CB 4.34Å
31L81.6Confident79.1Confident6 Ų654.2 Ų54.23%0.03131%0.307CS..EExtended strand (participates in β ladder)trans-131.8135.7176.2-76.5175.8000109.7Y43 T44 I135 Y140L31-Y43 WeakPolarHBondContact O-CA 3.47Å; L31-T44 PolarHBondContact N-O 3.35Å; L31-T44 PolarHBondContact O-N 3.41Å; L31-I135 HydrophobicContact CD1-CB 3.84Å; L31-I135 HydrophobicContact CD1-CD1 3.54Å; L31-I135 HydrophobicContact CD1-CG1 3.62Å; L31-I135 HydrophobicContact CG-CD1 3.89Å; L31-I135 HydrophobicContact CG-CG1 4.49Å; L31-Y140 HydrophobicContact CD1-CD2 4.44Å; L31-Y140 HydrophobicContact CD1-CE2 4.1Å; L31-Y140 HydrophobicContact CD2-CD1 3.66Å; L31-Y140 HydrophobicContact CD2-CD2 4.39Å; L31-Y140 HydrophobicContact CD2-CE1 3.26Å; L31-Y140 HydrophobicContact CD2-CE2 4.1Å; L31-Y140 HydrophobicContact CD2-CG 4.24Å; L31-Y140 HydrophobicContact CG-CE1 4.38Å
32E79.1Confident78.4Confident50 Ų5056.3 Ų56.323%0.23432%0.315CS..EExtended strand (participates in β ladder)trans-116.1110.2176.9-67.1178.3-16800108.4Y43 A144 K145E32-Y43 HydrophobicContact CG-CD1 3.68Å; E32-Y43 HydrophobicContact CG-CE1 3.8Å; E32-A144 CarbonylContact O-C 3.46Å; E32-A144 WeakPolarHBondContact O-CA 3.22Å; E32-K145 HydrophobicContact CB-CB 4.25Å; E32-K145 PolarHBondContact N-O 3.43Å; E32-K145 PolarHBondContact O-N 2.93Å
33E74.8Confident77.8Confident46 Ų4656.5 Ų56.522%0.21531%0.309CS..EExtended strand (participates in β ladder)trans-109.2117.7179.8-163.2-177.1-178.200109.3R42E33-R42 HydrophobicContact CB-CB 4.43Å; E33-R42 PolarHBondContact N-O 3.16Å; E33-R42 PolarHBondContact O-N 2.9Å
34E71.5Confident77.2Confident103 Ų10355 Ų5548%0.48130%0.296SS..EExtended strand (participates in β ladder)trans-83.4110.8171.8-74.5178.5-155.900108.8Q36 K145E34-Q36 PolarHBondContact O-N 3.35Å; E34-Q36 VanDerWaalsContact O-N 3.16Å; E34-K145 IonicContact OE1-NZ 2.69Å; E34-K145 PolarHBondContact OE1-NZ 2.84Å
35Q70.9Confident76.8Confident90 Ų9055 Ų5542%0.42130%0.296SS..  trans-74.5111.5-177.7-164.6175.8-25.400109.9N37 S38Q35-N37 PolarHBondContact O-N 3.15Å; Q35-S38 PolarHBondContact NE2-OG 2.93Å; Q35-S38 PolarHBondContact O-N 2.85Å; Q35-S38 VanDerWaalsContact O-O 3.07Å
36Q62.7Low76.4Confident153 Ų15354 Ų5472%0.71529%0.292SS*.THydrogen-bonded Turntrans-53.6-10.8-167.7-129.8-177.41.100117.9E34E34-Q36 PolarHBondContact O-N 3.35Å; E34-Q36 VanDerWaalsContact O-N 3.16Å
37N62.6Low76.2Confident164 Ų16453.5 Ų53.588%0.87727%0.274SS*.THydrogen-bonded Turntrans-130.911.2-177.6-88.9-26.3000114.1Q35Q35-N37 PolarHBondContact O-N 3.15Å
38S62.8Low76.2Confident40 Ų4056.3 Ų56.328%0.2828%0.283SS..SBendtrans-141.1136.7-172.8-230000108.8Q35 F40Q35-S38 PolarHBondContact NE2-OG 2.93Å; Q35-S38 PolarHBondContact O-N 2.85Å; Q35-S38 VanDerWaalsContact O-O 3.07Å; S38-F40 PolarHBondContact O-N 3.08Å
39A71.1Confident76.3Confident69 Ų6955.3 Ų55.357%0.5728%0.277SS*.SBendtrans-71.149.3171.600000110.6A53 A54A39-A53 CarbonylContact O-C 3.48Å; A39-A53 WeakPolarHBondContact O-CA 3.39Å; A39-A54 HydrophobicContact CB-CB 4.09Å; A39-A54 WeakPolarHBondContact O-CB 3.44Å; A39-A54 PolarHBondContact O-N 2.9Å
40F72.5Confident76.2Confident88 Ų8854.2 Ų54.239%0.38627%0.271SS..EExtended strand (participates in β ladder)trans-132.5131.1-178.9-63.9-89000109.5S38 I51 E52 A53S38-F40 PolarHBondContact O-N 3.08Å; F40-I51 HydrophobicContact CB-CG2 3.87Å; F40-I51 HydrophobicContact CD1-CG2 3.91Å; F40-I51 HydrophobicContact CG-CG2 4.23Å; F40-E52 CarbonylContact C-O 3Å; F40-E52 WeakPolarHBondContact CA-O 3.22Å; F40-A53 VanDerWaalsContact CD1-CA 3.5Å; F40-A53 HydrophobicContact CD1-CB 3.68Å; F40-A53 HydrophobicContact CE1-CB 3.51Å; F40-A53 HydrophobicContact CZ-CB 4.4Å
41V76.2Confident76Confident30 Ų3056.2 Ų56.218%0.18228%0.282CS..EExtended strand (participates in β ladder)trans-102.9127.3172.6-177.30000107.4Y43 E52V41-Y43 HydrophobicContact CB-CE2 4.02Å; V41-Y43 HydrophobicContact CG1-CD2 4.34Å; V41-Y43 HydrophobicContact CG1-CE1 4.15Å; V41-Y43 HydrophobicContact CG1-CE2 3.76Å; V41-E52 PolarHBondContact N-O 3.32Å; V41-E52 PolarHBondContact O-N 2.84Å
42R76.3Confident75.7Confident48 Ų4858 Ų5818%0.18129%0.289CS..EExtended strand (participates in β ladder)trans-99.6122177.6-179.3-179.2-66.3-128.86109.1E33 I51 Y138E33-R42 HydrophobicContact CB-CB 4.43Å; E33-R42 PolarHBondContact N-O 3.16Å; E33-R42 PolarHBondContact O-N 2.9Å; R42-I51 HydrophobicContact CG-CG1 4.36Å; R42-Y138 PolarHBondContact NH1-OH 2.86Å
43Y79.9Confident75.3Confident35 Ų3556.5 Ų56.514%0.13729%0.286CS..EExtended strand (participates in β ladder)trans-102114.8172.8-58.8-89.2000108.6P28 N29 L31 E32 V41 T49 C50 E52 F59P28-Y43 CarbonylContact O-C 3.5Å; P28-Y43 VanDerWaalsContact O-C 3.22Å; P28-Y43 WeakPolarHBondContact O-CB 3.32Å; N29-Y43 HydrophobicContact CB-CD1 4.4Å; N29-Y43 VanDerWaalsContact OD1-CD1 3.3Å; N29-Y43 WeakPolarHBondContact OD1-CD1 3.22Å; L31-Y43 WeakPolarHBondContact O-CA 3.47Å; E32-Y43 HydrophobicContact CG-CD1 3.68Å; E32-Y43 HydrophobicContact CG-CE1 3.8Å; V41-Y43 HydrophobicContact CB-CE2 4.02Å; V41-Y43 HydrophobicContact CG1-CD2 4.34Å; V41-Y43 HydrophobicContact CG1-CE1 4.15Å; V41-Y43 HydrophobicContact CG1-CE2 3.76Å; Y43-T49 CarbonylContact O-C 3.6Å; Y43-T49 VanDerWaalsContact O-CA 3.31Å; Y43-T49 WeakPolarHBondContact O-CA 3.45Å; Y43-C50 PolarHBondContact N-O 2.66Å; Y43-C50 PolarHBondContact O-N 2.99Å; Y43-E52 HydrophobicContact CD2-CB 4.26Å; Y43-E52 HydrophobicContact CE2-CB 3.69Å; Y43-E52 WeakPolarHBondContact CE2-OE2 3.25Å; Y43-E52 PolarHBondContact OH-OE2 2.86Å; Y43-F59 AromaticContact CD2-CE1 3.8Å; Y43-F59 HydrophobicContact CD2-CE1 3.8Å; Y43-F59 HydrophobicContact CE2-CE1 4.07Å; Y43-F59 HydrophobicContact CG-CE1 4.48Å
44T79.2Confident74.7Confident2 Ų257.6 Ų57.61%0.01230%0.303CS..EExtended strand (participates in β ladder)trans-102.5118.9176.2-63.10000108.7P28 W30 L31 T49 I65 I135P28-T44 CarbonylContact O-C 3.22Å; P28-T44 PolarHBondContact O-N 3.36Å; P28-T44 VanDerWaalsContact O-O 3.14Å; W30-T44 WeakPolarHBondContact CA-O 3.26Å; W30-T44 VanDerWaalsContact CB-O 3.31Å; W30-T44 WeakPolarHBondContact CB-O 3.2Å; W30-T44 PolarHBondContact N-O 3.05Å; L31-T44 PolarHBondContact N-O 3.35Å; L31-T44 PolarHBondContact O-N 3.41Å; T44-T49 HydrophobicContact CG2-CG2 3.81Å; T44-I65 HydrophobicContact CG2-CD1 4.22Å; T44-I135 HydrophobicContact CG2-CB 4.35Å; T44-I135 HydrophobicContact CG2-CG2 3.95Å
45G82.2Confident74.3Confident1 Ų160.8 Ų60.81%0.0132%0.323CS..  trans-111.6-178.717000000112.3P28 F47 K48 I65P28-G45 PolarHBondContact O-N 3.44Å; P28-G45 VanDerWaalsContact O-N 3.1Å; G45-F47 PolarHBondContact O-N 3.35Å; G45-K48 WeakPolarHBondContact CA-O 3.46Å; G45-K48 PolarHBondContact N-O 2.8Å; G45-I65 VanDerWaalsContact O-CD1 3.25Å; G45-I65 WeakPolarHBondContact O-CD1 3.31Å
46L80.7Confident73.9Confident3 Ų360.2 Ų60.22%0.01632%0.323CS..SBendtrans-61.9-39.6-178.7-105.655.9000114.3W30 I77 L80 I129W30-L46 HydrophobicContact CD2-CD1 3.44Å; W30-L46 VanDerWaalsContact CD2-CD1 3.44Å; W30-L46 HydrophobicContact CE3-CD1 3.88Å; W30-L46 HydrophobicContact CG-CD1 3.86Å; W30-L46 HydrophobicContact CH2-CD1 4.14Å; W30-L46 HydrophobicContact CZ2-CD1 3.73Å; W30-L46 HydrophobicContact CZ2-CD2 4.05Å; W30-L46 HydrophobicContact CZ3-CD1 4.21Å; L46-I77 HydrophobicContact CB-CD1 3.92Å; L46-I77 HydrophobicContact CB-CG1 4.35Å; L46-I77 HydrophobicContact CD2-CB 4.27Å; L46-I77 HydrophobicContact CD2-CD1 4.1Å; L46-I77 HydrophobicContact CD2-CG1 3.58Å; L46-I77 HydrophobicContact CD2-CG2 4.08Å; L46-I77 HydrophobicContact CG-CD1 3.6Å; L46-I77 HydrophobicContact CG-CG1 3.57Å; L46-L80 HydrophobicContact CD2-CD1 3.95Å; L46-I129 HydrophobicContact CD1-CD1 4.12Å; L46-I129 HydrophobicContact CD2-CD1 4.19Å; L46-I129 HydrophobicContact CG-CD1 4.4Å
47F83.3Confident73.9Confident72 Ų7257.6 Ų57.632%0.31632%0.322SS..SBendtrans-108.6-28.2-174.9-71.2-77.1000113.5I25 G45 A64 I65 W66 I77 I81I25-F47 HydrophobicContact CG2-CD2 4.19Å; I25-F47 HydrophobicContact CG2-CE2 3.57Å; G45-F47 PolarHBondContact O-N 3.35Å; F47-A64 WeakPolarHBondContact O-CA 3.33Å; F47-I65 PolarHBondContact O-N 3.47Å; F47-I65 VanDerWaalsContact O-N 3.16Å; F47-W66 AromaticContact CD1-CE3 3.64Å; F47-W66 HydrophobicContact CD1-CE3 3.64Å; F47-W66 AromaticContact CD1-CZ3 3.9Å; F47-W66 HydrophobicContact CD1-CZ3 3.9Å; F47-W66 AromaticContact CE1-CE3 3.47Å; F47-W66 HydrophobicContact CE1-CE3 3.47Å; F47-W66 VanDerWaalsContact CE1-CE3 3.47Å; F47-W66 HydrophobicContact CE1-CH2 4.17Å; F47-W66 AromaticContact CE1-CZ3 3.25Å; F47-W66 HydrophobicContact CE1-CZ3 3.25Å; F47-W66 AromaticContact CZ-CZ3 3.95Å; F47-W66 HydrophobicContact CZ-CZ3 3.95Å; F47-I77 HydrophobicContact CE1-CG2 4.23Å; F47-I77 HydrophobicContact CE2-CG2 3.9Å; F47-I77 HydrophobicContact CZ-CG2 3.46Å; F47-I77 VanDerWaalsContact CZ-CG2 3.46Å; F47-I81 HydrophobicContact CZ-CD1 4.09Å
48K84.2Confident73.8Confident125 Ų12554.8 Ų54.854%0.54331%0.307SS..EExtended strand (participates in β ladder)trans-140.1138.6-170.9-63.7-178.7-178.3177.80110G45 K63G45-K48 WeakPolarHBondContact CA-O 3.46Å; G45-K48 PolarHBondContact N-O 2.8Å; K48-K63 WeakPolarHBondContact CA-O 3.45Å
49T82.2Confident73.8Confident8 Ų857.5 Ų57.55%0.04931%0.314CS..EExtended strand (participates in β ladder)trans-102.7130.6163.552.60000108.5Y43 T44 C62 K63 I65Y43-T49 CarbonylContact O-C 3.6Å; Y43-T49 VanDerWaalsContact O-CA 3.31Å; Y43-T49 WeakPolarHBondContact O-CA 3.45Å; T44-T49 HydrophobicContact CG2-CG2 3.81Å; T49-C62 CarbonylContact O-C 3.46Å; T49-C62 VanDerWaalsContact O-CA 3.25Å; T49-C62 WeakPolarHBondContact O-CA 3.34Å; T49-K63 PolarHBondContact N-O 3.25Å; T49-K63 PolarHBondContact O-N 2.99Å; T49-K63 PolarHBondContact OG1-O 2.96Å; T49-I65 HydrophobicContact CG2-CB 4.41Å; T49-I65 HydrophobicContact CG2-CD1 3.94Å; T49-I65 HydrophobicContact CG2-CG1 4.32Å; T49-I65 HydrophobicContact CG2-CG2 3.37Å; T49-I65 WeakPolarHBondContact OG1-CG2 3.25Å
50C82.6Confident73.4Confident6 Ų657.3 Ų57.34%0.04131%0.308CS..EExtended strand (participates in β ladder)trans-119.8141.4176.1-63.70000109.9Y43 F59 K61 C62Y43-C50 PolarHBondContact N-O 2.66Å; Y43-C50 PolarHBondContact O-N 2.99Å; C50-F59 HydrophobicContact CB-CB 4.49Å; C50-F59 HydrophobicContact CB-CD1 3.61Å; C50-F59 HydrophobicContact CB-CE1 4.19Å; C50-F59 HydrophobicContact CB-CG 4.31Å; C50-K61 WeakPolarHBondContact CA-O 3.13Å; C50-C62 HydrophobicContact CB-CB 4.21Å; C50-C62 WeakPolarHBondContact CB-SG 3.31Å; C50-C62 WeakPolarHBondContact SG-CB 3.48Å; C50-C62 CovalentContact SG-SG 2.05Å; C50-C62 PolarHBondContact SG-SG 3.44Å
51I79.5Confident73.5Confident42 Ų4260.9 Ų60.922%0.21532%0.324CS..EExtended strand (participates in β ladder)trans-112.1119.8176.5-55171.7000107.8F40 R42 S60 K61F40-I51 HydrophobicContact CB-CG2 3.87Å; F40-I51 HydrophobicContact CD1-CG2 3.91Å; F40-I51 HydrophobicContact CG-CG2 4.23Å; R42-I51 HydrophobicContact CG-CG1 4.36Å; I51-S60 PolarHBondContact O-N 3.1Å; I51-S60 PolarHBondContact O-OG 2.92Å; I51-S60 VanDerWaalsContact O-OG 3.09Å; I51-K61 PolarHBondContact N-O 3.41Å; I51-K61 VanDerWaalsContact N-O 3.07Å
52E76.2Confident73.8Confident42 Ų4262.9 Ų62.920%0.19634%0.338CS..EExtended strand (participates in β ladder)trans-99.2136.4173.3-169.3176.3-165.600108.8F40 V41 Y43 F59F40-E52 CarbonylContact C-O 3Å; F40-E52 WeakPolarHBondContact CA-O 3.22Å; V41-E52 PolarHBondContact N-O 3.32Å; V41-E52 PolarHBondContact O-N 2.84Å; Y43-E52 HydrophobicContact CD2-CB 4.26Å; Y43-E52 HydrophobicContact CE2-CB 3.69Å; Y43-E52 WeakPolarHBondContact CE2-OE2 3.25Å; Y43-E52 PolarHBondContact OH-OE2 2.86Å; E52-F59 HydrophobicContact CB-CD1 4.3Å; E52-F59 HydrophobicContact CB-CE1 4.37Å
53A68.9Low74.1Confident19 Ų1966.3 Ų66.316%0.15735%0.354CS..EExtended strand (participates in β ladder)trans-82.4131.7167.600000107.5A39 F40 N55 D56A39-A53 CarbonylContact O-C 3.48Å; A39-A53 WeakPolarHBondContact O-CA 3.39Å; F40-A53 VanDerWaalsContact CD1-CA 3.5Å; F40-A53 HydrophobicContact CD1-CB 3.68Å; F40-A53 HydrophobicContact CE1-CB 3.51Å; F40-A53 HydrophobicContact CZ-CB 4.4Å; A53-N55 PolarHBondContact O-N 2.76Å; A53-D56 HydrophobicContact CB-CB 4.21Å; A53-D56 CarbonylContact O-C 3.52Å; A53-D56 PolarHBondContact O-N 2.92Å
54A63.2Low74.3Confident70 Ų7068 Ų6858%0.57938%0.376SS*.THydrogen-bonded Turntrans-57.3-7.9-177.900000114.5A39A39-A54 HydrophobicContact CB-CB 4.09Å; A39-A54 WeakPolarHBondContact O-CB 3.44Å; A39-A54 PolarHBondContact O-N 2.9Å
55N62.6Low74.5Confident170 Ų17068.2 Ų68.291%0.90938%0.376SS*.THydrogen-bonded Turntrans-120.34.8178.3-127.49.2000113.9A53A53-N55 PolarHBondContact O-N 2.76Å
56D63.3Low74.4Confident78 Ų7872.3 Ų72.342%0.41739%0.392SS..EExtended strand (participates in β ladder)trans-141.7116179.2-163.8-10.7000109.6A53 N58A53-D56 HydrophobicContact CB-CB 4.21Å; A53-D56 CarbonylContact O-C 3.52Å; A53-D56 PolarHBondContact O-N 2.92Å; D56-N58 PolarHBondContact O-N 3.34Å; D56-N58 PolarHBondContact OD1-N 3.48Å; D56-N58 PolarHBondContact OD1-ND2 2.97Å
57S62.8Low74.4Confident98 Ų9879.9 Ų79.969%0.68543%0.427SS*.EExtended strand (participates in β ladder)trans-68.2-0.8179.656.40000113.4
58N60.6Low74.2Confident105 Ų10580 Ų8056%0.56143%0.428SS*.EExtended strand (participates in β ladder)trans-82.7115.7174.1-66-56.5000109.3D56 S60D56-N58 PolarHBondContact O-N 3.34Å; D56-N58 PolarHBondContact OD1-N 3.48Å; D56-N58 PolarHBondContact OD1-ND2 2.97Å; N58-S60 VanDerWaalsContact C-N 3.28Å; N58-S60 WeakPolarHBondContact O-CA 3.3Å; N58-S60 PolarHBondContact O-N 3.15Å
59F62.9Low73.9Confident97 Ų9774.4 Ų74.443%0.42541%0.405SS..EExtended strand (participates in β ladder)trans-56.494.6167.3-71.9-75.2000109.3Y43 C50 E52 K61Y43-F59 AromaticContact CD2-CE1 3.8Å; Y43-F59 HydrophobicContact CD2-CE1 3.8Å; Y43-F59 HydrophobicContact CE2-CE1 4.07Å; Y43-F59 HydrophobicContact CG-CE1 4.48Å; C50-F59 HydrophobicContact CB-CB 4.49Å; C50-F59 HydrophobicContact CB-CD1 3.61Å; C50-F59 HydrophobicContact CB-CE1 4.19Å; C50-F59 HydrophobicContact CB-CG 4.31Å; E52-F59 HydrophobicContact CB-CD1 4.3Å; E52-F59 HydrophobicContact CB-CE1 4.37Å; F59-K61 VanDerWaalsContact C-N 3.28Å; F59-K61 PolarHBondContact O-N 2.96Å
60S62.7Low74Confident65 Ų6577.8 Ų77.846%0.45542%0.419SS..EExtended strand (participates in β ladder)trans-70.7-26.7-161.261.90000112.2I51 N58I51-S60 PolarHBondContact O-N 3.1Å; I51-S60 PolarHBondContact O-OG 2.92Å; I51-S60 VanDerWaalsContact O-OG 3.09Å; N58-S60 VanDerWaalsContact C-N 3.28Å; N58-S60 WeakPolarHBondContact O-CA 3.3Å; N58-S60 PolarHBondContact O-N 3.15Å
61K74.3Confident74.1Confident163 Ų16383.7 Ų83.771%0.70945%0.45SS*.EExtended strand (participates in β ladder)trans-153.6123.1171.4-61.9-174.8-178.3171.30110.5C50 I51 F59C50-K61 WeakPolarHBondContact CA-O 3.13Å; I51-K61 PolarHBondContact N-O 3.41Å; I51-K61 VanDerWaalsContact N-O 3.07Å; F59-K61 VanDerWaalsContact C-N 3.28Å; F59-K61 PolarHBondContact O-N 2.96Å
62C81.7Confident74.5Confident71 Ų7185.4 Ų85.448%0.4846%0.462SS..EExtended strand (participates in β ladder)trans-108.3126.7166.7-64.90000109.9T49 C50T49-C62 CarbonylContact O-C 3.46Å; T49-C62 VanDerWaalsContact O-CA 3.25Å; T49-C62 WeakPolarHBondContact O-CA 3.34Å; C50-C62 HydrophobicContact CB-CB 4.21Å; C50-C62 WeakPolarHBondContact CB-SG 3.31Å; C50-C62 WeakPolarHBondContact SG-CB 3.48Å; C50-C62 CovalentContact SG-SG 2.05Å; C50-C62 PolarHBondContact SG-SG 3.44Å
63K82.4Confident74.8Confident120 Ų12083.5 Ų83.552%0.52245%0.453SS..EExtended strand (participates in β ladder)trans-113.2139.2176.5-171.8-175169.2-157.70109.2K48 T49 E68K48-K63 WeakPolarHBondContact CA-O 3.45Å; T49-K63 PolarHBondContact N-O 3.25Å; T49-K63 PolarHBondContact O-N 2.99Å; T49-K63 PolarHBondContact OG1-O 2.96Å; K63-E68 IonicContact NZ-OE1 2.66Å; K63-E68 PolarHBondContact NZ-OE1 2.05Å; K63-E68 IonicContact NZ-OE2 3.96Å
64A84Confident75.7Confident72 Ų7284.4 Ų84.460%0.59545%0.454SS*.EExtended strand (participates in β ladder)trans-75.4129.7170.900000109.6F47F47-A64 WeakPolarHBondContact O-CA 3.33Å
65I83.7Confident77Confident5 Ų583.3 Ų83.33%0.02644%0.444CS..  trans-106.51.9-176.258.4160000114.1T44 G45 F47 T49 Q67 E68 L69T44-I65 HydrophobicContact CG2-CD1 4.22Å; G45-I65 VanDerWaalsContact O-CD1 3.25Å; G45-I65 WeakPolarHBondContact O-CD1 3.31Å; F47-I65 PolarHBondContact O-N 3.47Å; F47-I65 VanDerWaalsContact O-N 3.16Å; T49-I65 HydrophobicContact CG2-CB 4.41Å; T49-I65 HydrophobicContact CG2-CD1 3.94Å; T49-I65 HydrophobicContact CG2-CG1 4.32Å; T49-I65 HydrophobicContact CG2-CG2 3.37Å; T49-I65 WeakPolarHBondContact OG1-CG2 3.25Å; I65-Q67 PolarHBondContact O-N 2.61Å; I65-E68 PolarHBondContact O-N 3.02Å; I65-L69 HydrophobicContact CB-CD1 4Å; I65-L69 HydrophobicContact CD1-CD1 3.44Å; I65-L69 VanDerWaalsContact CD1-CD1 3.44Å; I65-L69 HydrophobicContact CG1-CD1 3.55Å; I65-L69 WeakPolarHBondContact O-CD1 3.41Å; I65-L69 PolarHBondContact O-N 2.96Å
66W80.4Confident78.3Confident87 Ų8775.2 Ų75.233%0.3340%0.401SS..THydrogen-bonded Turntrans-49.4-36-173.9-174-96.1000114.9F47 K74 I77F47-W66 AromaticContact CD1-CE3 3.64Å; F47-W66 HydrophobicContact CD1-CE3 3.64Å; F47-W66 AromaticContact CD1-CZ3 3.9Å; F47-W66 HydrophobicContact CD1-CZ3 3.9Å; F47-W66 AromaticContact CE1-CE3 3.47Å; F47-W66 HydrophobicContact CE1-CE3 3.47Å; F47-W66 VanDerWaalsContact CE1-CE3 3.47Å; F47-W66 HydrophobicContact CE1-CH2 4.17Å; F47-W66 AromaticContact CE1-CZ3 3.25Å; F47-W66 HydrophobicContact CE1-CZ3 3.25Å; F47-W66 AromaticContact CZ-CZ3 3.95Å; F47-W66 HydrophobicContact CZ-CZ3 3.95Å; W66-K74 HydrophobicContact CZ2-CG 4.45Å; W66-K74 WeakPolarHBondContact O-CE 3.11Å; W66-I77 HydrophobicContact CE3-CD1 4.32Å; W66-I77 HydrophobicContact CH2-CG2 4.38Å; W66-I77 HydrophobicContact CZ3-CB 4.29Å; W66-I77 HydrophobicContact CZ3-CD1 3.72Å; W66-I77 HydrophobicContact CZ3-CG2 3.99Å
67Q81.6Confident79.5Confident163 Ų16371.5 Ų71.576%0.76238%0.381SS*.THydrogen-bonded Turntrans-77.2-23.6-179.8-63.9-61.9-27.500113.4I65I65-Q67 PolarHBondContact O-N 2.61Å
68E79.4Confident81Confident73 Ų7371 Ų7134%0.34137%0.37SS..THydrogen-bonded Turntrans-88.5-13.4-178.6-65173.8-170.700112.2K63 I65K63-E68 IonicContact NZ-OE1 2.66Å; K63-E68 PolarHBondContact NZ-OE1 2.05Å; K63-E68 IonicContact NZ-OE2 3.96Å; I65-E68 PolarHBondContact O-N 3.02Å
69L77.2Confident82.5Confident8 Ų867.3 Ų67.34%0.04235%0.352CS..SBendtrans-69.2141.6176.5-90.776.4000112.4I65 E73 K74 I77I65-L69 HydrophobicContact CB-CD1 4Å; I65-L69 HydrophobicContact CD1-CD1 3.44Å; I65-L69 VanDerWaalsContact CD1-CD1 3.44Å; I65-L69 HydrophobicContact CG1-CD1 3.55Å; I65-L69 WeakPolarHBondContact O-CD1 3.41Å; I65-L69 PolarHBondContact O-N 2.96Å; L69-E73 VanDerWaalsContact CA-OE2 3.22Å; L69-E73 WeakPolarHBondContact CA-OE2 3.42Å; L69-E73 HydrophobicContact CB-CB 4.34Å; L69-E73 WeakPolarHBondContact CB-OE2 3.03Å; L69-E73 HydrophobicContact CD2-CB 3.83Å; L69-E73 HydrophobicContact CG-CB 4.19Å; L69-E73 WeakPolarHBondContact CG-OE2 3.29Å; L69-K74 HydrophobicContact CB-CG 3.98Å; L69-K74 WeakPolarHBondContact O-CE 3.4Å; L69-K74 PolarHBondContact O-NZ 3.45Å; L69-I77 HydrophobicContact CD2-CD1 3.4Å; L69-I77 VanDerWaalsContact CD2-CD1 3.4Å
70K83.7Confident83.9Confident79 Ų7962.7 Ų62.734%0.34333%0.332SS..  trans-65.5154.5170.9-66.2171.8-173.7169.90110V72 E73 K74 D132 D134K70-V72 PolarHBondContact O-N 2.87Å; K70-E73 HydrophobicContact CB-CG 4.27Å; K70-E73 PolarHBondContact N-OE2 2.98Å; K70-E73 PolarHBondContact O-N 3.49Å; K70-E73 VanDerWaalsContact O-N 3.15Å; K70-K74 PolarHBondContact O-N 2.86Å; K70-K74 VanDerWaalsContact O-N 3.08Å; K70-D132 WeakPolarHBondContact CD-OD2 2.95Å; K70-D132 WeakPolarHBondContact CE-OD2 3.26Å; K70-D132 IonicContact NZ-OD1 3.4Å; K70-D132 PolarHBondContact NZ-OD1 2.9Å; K70-D132 IonicContact NZ-OD2 2.93Å; K70-D132 PolarHBondContact NZ-OD2 3.26Å; K70-D134 IonicContact NZ-OD2 2.8Å; K70-D134 PolarHBondContact NZ-OD2 3.32Å
71D85.9Confident85.3Confident131 Ų13163.3 Ų63.370%0.70133%0.329SS*.Hα-helixtrans-62.3-30.5-177.9-65.6-33.1000112.7K74 A75D71-K74 IonicContact OD1-NZ 3.99Å; D71-A75 WeakPolarHBondContact O-CB 3.42Å; D71-A75 PolarHBondContact O-N 3.21Å
72V85.9Confident86.2Confident77 Ų7759.3 Ų59.347%0.46732%0.315SS..Hα-helixtrans-65.9-44.2175.7-179.60000111.4K70 A75 G76 C128K70-V72 PolarHBondContact O-N 2.87Å; V72-A75 WeakPolarHBondContact O-CB 3.48Å; V72-A75 PolarHBondContact O-N 3.01Å; V72-G76 PolarHBondContact O-N 3.34Å; V72-C128 HydrophobicContact CG1-CB 4.11Å
73E84.3Confident86.7Confident2 Ų256 Ų561%0.00929%0.293CS..Hα-helixtrans-65.1-45.1177.7-60.3165.9159.600110.2L69 K70 A75 G76 I77 I135 G136L69-E73 VanDerWaalsContact CA-OE2 3.22Å; L69-E73 WeakPolarHBondContact CA-OE2 3.42Å; L69-E73 HydrophobicContact CB-CB 4.34Å; L69-E73 WeakPolarHBondContact CB-OE2 3.03Å; L69-E73 HydrophobicContact CD2-CB 3.83Å; L69-E73 HydrophobicContact CG-CB 4.19Å; L69-E73 WeakPolarHBondContact CG-OE2 3.29Å; K70-E73 HydrophobicContact CB-CG 4.27Å; K70-E73 PolarHBondContact N-OE2 2.98Å; K70-E73 PolarHBondContact O-N 3.49Å; K70-E73 VanDerWaalsContact O-N 3.15Å; E73-A75 VanDerWaalsContact C-N 3.29Å; E73-A75 PolarHBondContact O-N 2.92Å; E73-G76 CarbonylContact O-C 3.58Å; E73-G76 WeakPolarHBondContact O-CA 3.17Å; E73-G76 PolarHBondContact O-N 2.9Å; E73-I77 WeakPolarHBondContact O-CG1 3.42Å; E73-I77 PolarHBondContact O-N 3.34Å; E73-I135 VanDerWaalsContact OE1-CA 3.26Å; E73-I135 WeakPolarHBondContact OE1-CA 3.13Å; E73-G136 PolarHBondContact OE1-N 3.19Å; E73-G136 PolarHBondContact OE2-N 2.93Å
74K87.6Confident87.2Confident39 Ų3951.5 Ų51.517%0.1728%0.275CS..Hα-helixtrans-56.6-44.1174.7-70.9171179.2149.20111.6W66 L69 K70 D71 G76 I77 I78W66-K74 HydrophobicContact CZ2-CG 4.45Å; W66-K74 WeakPolarHBondContact O-CE 3.11Å; L69-K74 HydrophobicContact CB-CG 3.98Å; L69-K74 WeakPolarHBondContact O-CE 3.4Å; L69-K74 PolarHBondContact O-NZ 3.45Å; K70-K74 PolarHBondContact O-N 2.86Å; K70-K74 VanDerWaalsContact O-N 3.08Å; D71-K74 IonicContact OD1-NZ 3.99Å; K74-G76 VanDerWaalsContact C-N 3.32Å; K74-G76 PolarHBondContact O-N 2.98Å; K74-I77 PolarHBondContact O-N 3.33Å; K74-I78 VanDerWaalsContact O-CG1 3.28Å; K74-I78 WeakPolarHBondContact O-CG1 3.1Å; K74-I78 PolarHBondContact O-N 3.49Å
75A89.8Confident87.7Confident46 Ų4650.7 Ų50.738%0.3827%0.269SS..Hα-helixtrans-61.9-40.5174.900000111.7D71 V72 E73 I78 C79D71-A75 WeakPolarHBondContact O-CB 3.42Å; D71-A75 PolarHBondContact O-N 3.21Å; V72-A75 WeakPolarHBondContact O-CB 3.48Å; V72-A75 PolarHBondContact O-N 3.01Å; E73-A75 VanDerWaalsContact C-N 3.29Å; E73-A75 PolarHBondContact O-N 2.92Å; A75-I78 PolarHBondContact O-N 3.35Å; A75-C79 PolarHBondContact O-N 3.3Å; A75-C79 PolarHBondContact O-SG 3.05Å
76G90.3Very high88.1Confident0 Ų052.3 Ų52.30%028%0.277CS..Hα-helixtrans-60.3-44.6174.600000113V72 E73 K74 I78 C79 L80 G125V72-G76 PolarHBondContact O-N 3.34Å; E73-G76 CarbonylContact O-C 3.58Å; E73-G76 WeakPolarHBondContact O-CA 3.17Å; E73-G76 PolarHBondContact O-N 2.9Å; K74-G76 VanDerWaalsContact C-N 3.32Å; K74-G76 PolarHBondContact O-N 2.98Å; G76-I78 VanDerWaalsContact C-N 3.35Å; G76-I78 PolarHBondContact O-N 2.86Å; G76-C79 WeakPolarHBondContact O-CB 3.28Å; G76-C79 PolarHBondContact O-N 3.33Å; G76-L80 PolarHBondContact O-N 2.93Å; G76-G125 WeakPolarHBondContact O-CA 3.31Å
77I89.2Confident88.6Confident1 Ų148.4 Ų48.41%0.00526%0.263CS..Hα-helixtrans-61.3-44.3176-60.1179.5000111.3L46 F47 W66 L69 E73 K74 C79 L80 I81 I129L46-I77 HydrophobicContact CB-CD1 3.92Å; L46-I77 HydrophobicContact CB-CG1 4.35Å; L46-I77 HydrophobicContact CD2-CB 4.27Å; L46-I77 HydrophobicContact CD2-CD1 4.1Å; L46-I77 HydrophobicContact CD2-CG1 3.58Å; L46-I77 HydrophobicContact CD2-CG2 4.08Å; L46-I77 HydrophobicContact CG-CD1 3.6Å; L46-I77 HydrophobicContact CG-CG1 3.57Å; F47-I77 HydrophobicContact CE1-CG2 4.23Å; F47-I77 HydrophobicContact CE2-CG2 3.9Å; F47-I77 HydrophobicContact CZ-CG2 3.46Å; F47-I77 VanDerWaalsContact CZ-CG2 3.46Å; W66-I77 HydrophobicContact CE3-CD1 4.32Å; W66-I77 HydrophobicContact CH2-CG2 4.38Å; W66-I77 HydrophobicContact CZ3-CB 4.29Å; W66-I77 HydrophobicContact CZ3-CD1 3.72Å; W66-I77 HydrophobicContact CZ3-CG2 3.99Å; L69-I77 HydrophobicContact CD2-CD1 3.4Å; L69-I77 VanDerWaalsContact CD2-CD1 3.4Å; E73-I77 WeakPolarHBondContact O-CG1 3.42Å; E73-I77 PolarHBondContact O-N 3.34Å; K74-I77 PolarHBondContact O-N 3.33Å; I77-C79 VanDerWaalsContact C-N 3.28Å; I77-C79 PolarHBondContact O-N 3.2Å; I77-L80 PolarHBondContact O-N 3.46Å; I77-I81 HydrophobicContact CG2-CD1 3.94Å; I77-I81 HydrophobicContact CG2-CG1 4.47Å; I77-I81 WeakPolarHBondContact O-CG1 3.43Å; I77-I81 PolarHBondContact O-N 3.41Å; I77-I129 HydrophobicContact CG1-CD1 4.42Å
78I92.5Very high89.2Confident88 Ų8844.1 Ų44.145%0.45125%0.248SC..Hα-helixtrans-61.4-40.8177.9-67.5164.7000110K74 A75 G76 I81 L82K74-I78 VanDerWaalsContact O-CG1 3.28Å; K74-I78 WeakPolarHBondContact O-CG1 3.1Å; K74-I78 PolarHBondContact O-N 3.49Å; A75-I78 PolarHBondContact O-N 3.35Å; G76-I78 VanDerWaalsContact C-N 3.35Å; G76-I78 PolarHBondContact O-N 2.86Å; I78-I81 PolarHBondContact O-N 2.83Å; I78-L82 HydrophobicContact CG2-CD1 4.05Å; I78-L82 HydrophobicContact CG2-CG 4.4Å; I78-L82 WeakPolarHBondContact O-CB 3.4Å; I78-L82 VanDerWaalsContact O-CG 3.31Å; I78-L82 WeakPolarHBondContact O-CG 3.05Å; I78-L82 PolarHBondContact O-N 3.02Å
79C93.5Very high89.8Confident27 Ų2746 Ų4618%0.18226%0.255CS..Hα-helixtrans-61.7-44175.6-66.60000112.2A75 G76 I77 I81 L82 A83 F121A75-C79 PolarHBondContact O-N 3.3Å; A75-C79 PolarHBondContact O-SG 3.05Å; G76-C79 WeakPolarHBondContact O-CB 3.28Å; G76-C79 PolarHBondContact O-N 3.33Å; I77-C79 VanDerWaalsContact C-N 3.28Å; I77-C79 PolarHBondContact O-N 3.2Å; C79-I81 PolarHBondContact O-N 3.37Å; C79-L82 PolarHBondContact O-N 3.49Å; C79-A83 WeakPolarHBondContact O-CB 3.45Å; C79-A83 PolarHBondContact O-N 2.9Å; C79-F121 HydrophobicContact CB-CD1 4.34Å; C79-F121 WeakPolarHBondContact CB-O 3.35Å
80L90.7Very high90.4Very high0 Ų045.6 Ų45.60%025%0.253CS..Hα-helixtrans-61.7-41.4176.2-69.1176.1000112.3I25 W30 L46 G76 I77 A83 V84 D122 L126 I129I25-L80 HydrophobicContact CD1-CB 3.95Å; I25-L80 HydrophobicContact CG1-CB 4.35Å; I25-L80 HydrophobicContact CG1-CD1 4.5Å; W30-L80 HydrophobicContact CH2-CD1 3.97Å; W30-L80 HydrophobicContact CZ2-CD1 4.27Å; L46-L80 HydrophobicContact CD2-CD1 3.95Å; G76-L80 PolarHBondContact O-N 2.93Å; I77-L80 PolarHBondContact O-N 3.46Å; L80-A83 WeakPolarHBondContact O-CB 3.49Å; L80-A83 PolarHBondContact O-N 2.9Å; L80-V84 WeakPolarHBondContact O-CG2 2.93Å; L80-V84 PolarHBondContact O-N 3.22Å; L80-D122 WeakPolarHBondContact CD2-OD1 3.41Å; L80-L126 HydrophobicContact CD2-CG 4.35Å; L80-I129 HydrophobicContact CD1-CD1 3.59Å
81I93Very high90.7Very high77 Ų7743.5 Ų43.540%0.39525%0.248SC..Hα-helixtrans-65.3-41.5176.3-66.8168.9000110.9F47 I77 I78 C79 V84 A85F47-I81 HydrophobicContact CZ-CD1 4.09Å; I77-I81 HydrophobicContact CG2-CD1 3.94Å; I77-I81 HydrophobicContact CG2-CG1 4.47Å; I77-I81 WeakPolarHBondContact O-CG1 3.43Å; I77-I81 PolarHBondContact O-N 3.41Å; I78-I81 PolarHBondContact O-N 2.83Å; C79-I81 PolarHBondContact O-N 3.37Å; I81-V84 WeakPolarHBondContact O-CB 3.22Å; I81-V84 PolarHBondContact O-N 3Å; I81-A85 PolarHBondContact O-N 3.42Å
82L94.3Very high90.9Very high80 Ų8039.9 Ų39.942%0.41924%0.237SC..Hα-helixtrans-64.3-40.3175.8-73.4173.4000111.5I78 C79 V84 A85 L86I78-L82 HydrophobicContact CG2-CD1 4.05Å; I78-L82 HydrophobicContact CG2-CG 4.4Å; I78-L82 WeakPolarHBondContact O-CB 3.4Å; I78-L82 VanDerWaalsContact O-CG 3.31Å; I78-L82 WeakPolarHBondContact O-CG 3.05Å; I78-L82 PolarHBondContact O-N 3.02Å; C79-L82 PolarHBondContact O-N 3.49Å; L82-V84 VanDerWaalsContact C-N 3.35Å; L82-V84 PolarHBondContact O-N 3.5Å; L82-A85 PolarHBondContact O-N 3.41Å; L82-L86 WeakPolarHBondContact O-CG 3.45Å; L82-L86 PolarHBondContact O-N 2.88Å
83A91.9Very high91.1Very high2 Ų241 Ų412%0.01723%0.233CC..Hα-helixtrans-59.2-47.2174.100000111.2C79 L80 A85 L86 C87 A118 F121 D122C79-A83 WeakPolarHBondContact O-CB 3.45Å; C79-A83 PolarHBondContact O-N 2.9Å; L80-A83 WeakPolarHBondContact O-CB 3.49Å; L80-A83 PolarHBondContact O-N 2.9Å; A83-A85 PolarHBondContact O-N 2.99Å; A83-L86 PolarHBondContact O-N 2.83Å; A83-C87 PolarHBondContact O-N 3.48Å; A83-C87 PolarHBondContact O-SG 2.9Å; A83-C87 VanDerWaalsContact O-SG 3.38Å; A83-A118 WeakPolarHBondContact CB-O 3.4Å; A83-F121 HydrophobicContact CB-CB 3.92Å; A83-D122 HydrophobicContact CB-CB 3.88Å
84V92Very high91.2Very high24 Ų2441 Ų4115%0.14523%0.232CC..Hα-helixtrans-57.6-45.8174.4158.20000111.8F18 T21 I25 L80 I81 L82 L86 C87 V88F18-V84 HydrophobicContact CD2-CB 4.39Å; F18-V84 HydrophobicContact CD2-CG1 3.63Å; F18-V84 HydrophobicContact CD2-CG2 4.4Å; F18-V84 HydrophobicContact CE2-CG1 3.45Å; F18-V84 VanDerWaalsContact CE2-CG1 3.45Å; T21-V84 HydrophobicContact CG2-CG2 3.73Å; I25-V84 HydrophobicContact CD1-CG2 4Å; L80-V84 WeakPolarHBondContact O-CG2 2.93Å; L80-V84 PolarHBondContact O-N 3.22Å; I81-V84 WeakPolarHBondContact O-CB 3.22Å; I81-V84 PolarHBondContact O-N 3Å; L82-V84 VanDerWaalsContact C-N 3.35Å; L82-V84 PolarHBondContact O-N 3.5Å; V84-L86 VanDerWaalsContact C-N 3.34Å; V84-L86 PolarHBondContact O-N 2.84Å; V84-C87 PolarHBondContact O-N 2.89Å; V84-V88 WeakPolarHBondContact O-CG2 3.5Å; V84-V88 PolarHBondContact O-N 3.36Å
85A94.1Very high91.1Very high55 Ų5543.3 Ų43.346%0.45525%0.245SC..Hα-helixtrans-62.7-40.3177.700000112.1I81 L82 A83 V88 F89I81-A85 PolarHBondContact O-N 3.42Å; L82-A85 PolarHBondContact O-N 3.41Å; A83-A85 PolarHBondContact O-N 2.99Å; A85-V88 PolarHBondContact O-N 3.27Å; A85-F89 WeakPolarHBondContact O-CB 3.41Å; A85-F89 PolarHBondContact O-N 3.47Å
86L93Very high90.8Very high39 Ų3945.4 Ų45.420%0.20425%0.253CS..Hα-helixtrans-66.2-37.8175.3-71.6172.4000112.1L82 A83 V84 F89 A90 V114 L117 A118 F121L82-L86 WeakPolarHBondContact O-CG 3.45Å; L82-L86 PolarHBondContact O-N 2.88Å; A83-L86 PolarHBondContact O-N 2.83Å; V84-L86 VanDerWaalsContact C-N 3.34Å; V84-L86 PolarHBondContact O-N 2.84Å; L86-F89 PolarHBondContact O-N 3.02Å; L86-A90 VanDerWaalsContact O-CB 3.28Å; L86-A90 WeakPolarHBondContact O-CB 3.49Å; L86-A90 PolarHBondContact O-N 3.26Å; L86-V114 HydrophobicContact CB-CG1 4.48Å; L86-V114 HydrophobicContact CD2-CG1 4.32Å; L86-L117 HydrophobicContact CD1-CB 4.43Å; L86-L117 HydrophobicContact CD1-CD2 4.02Å; L86-L117 HydrophobicContact CD1-CG 3.93Å; L86-A118 HydrophobicContact CB-CB 3.81Å; L86-A118 HydrophobicContact CD1-CB 4.37Å; L86-F121 HydrophobicContact CD1-CD2 3.54Å; L86-F121 HydrophobicContact CD1-CE2 3.88Å
87C91.3Very high90.5Very high5 Ų545.4 Ų45.43%0.03425%0.253CS..Hα-helixtrans-63.1-41.9174.1-720000111.9F18 A83 V84 A90 S91F18-C87 HydrophobicContact CB-CB 4.22Å; A83-C87 PolarHBondContact O-N 3.48Å; A83-C87 PolarHBondContact O-SG 2.9Å; A83-C87 VanDerWaalsContact O-SG 3.38Å; V84-C87 PolarHBondContact O-N 2.89Å; C87-A90 PolarHBondContact O-N 2.95Å; C87-S91 WeakPolarHBondContact O-CB 3.42Å; C87-S91 PolarHBondContact O-N 3.44Å
88V92.5Very high90Very high74 Ų7450.7 Ų50.745%0.44827%0.274SS..Hα-helixtrans-64.5-43.6175.1174.60000110.8F18 V84 A85 S91 A92F18-V88 HydrophobicContact CD2-CG2 3.85Å; F18-V88 HydrophobicContact CE2-CG2 3.68Å; F18-V88 HydrophobicContact CG-CG2 4.48Å; F18-V88 HydrophobicContact CZ-CG2 4.18Å; V84-V88 WeakPolarHBondContact O-CG2 3.5Å; V84-V88 PolarHBondContact O-N 3.36Å; A85-V88 PolarHBondContact O-N 3.27Å; V88-S91 PolarHBondContact O-N 3.02Å; V88-A92 WeakPolarHBondContact O-CB 3.18Å; V88-A92 PolarHBondContact O-N 3.28Å
89F92.3Very high89.4Confident111 Ų11154.7 Ų54.749%0.48728%0.284SS..Hα-helixtrans-62.1-45.2176.2-177.2-97.9000111.9A85 L86 S91 A92 W93 V114A85-F89 WeakPolarHBondContact O-CB 3.41Å; A85-F89 PolarHBondContact O-N 3.47Å; L86-F89 PolarHBondContact O-N 3.02Å; F89-S91 VanDerWaalsContact C-N 3.33Å; F89-S91 PolarHBondContact O-N 3.19Å; F89-A92 PolarHBondContact O-N 3.42Å; F89-W93 HydrophobicContact CE1-CE3 4.15Å; F89-W93 HydrophobicContact CE2-CE3 4.46Å; F89-W93 AromaticContact CZ-CE3 3.76Å; F89-W93 HydrophobicContact CZ-CE3 3.76Å; F89-W93 HydrophobicContact CZ-CZ3 4.06Å; F89-W93 WeakPolarHBondContact O-CB 3.29Å; F89-W93 PolarHBondContact O-N 3.46Å; F89-V114 HydrophobicContact CD1-CG1 4.21Å
90A90.9Very high88.4Confident1 Ų154.7 Ų54.71%0.00829%0.289CS..Hα-helixtrans-62.1-39.9176.500000112L14 L86 C87 W93 A94 V114 T115L14-A90 HydrophobicContact CD1-CB 3.82Å; L86-A90 VanDerWaalsContact O-CB 3.28Å; L86-A90 WeakPolarHBondContact O-CB 3.49Å; L86-A90 PolarHBondContact O-N 3.26Å; C87-A90 PolarHBondContact O-N 2.95Å; A90-W93 PolarHBondContact O-N 3.5Å; A90-A94 VanDerWaalsContact O-CB 3.29Å; A90-A94 WeakPolarHBondContact O-CB 3.46Å; A90-A94 PolarHBondContact O-N 3.35Å; A90-V114 HydrophobicContact CB-CG1 3.87Å; A90-T115 HydrophobicContact CB-CG2 4.13Å
91S89.1Confident87.3Confident34 Ų3460 Ų6024%0.23832%0.324CS..Hα-helixtrans-65.6-46.3176.1-178.60000111.8C87 V88 F89 W93 A94 M95C87-S91 WeakPolarHBondContact O-CB 3.42Å; C87-S91 PolarHBondContact O-N 3.44Å; V88-S91 PolarHBondContact O-N 3.02Å; F89-S91 VanDerWaalsContact C-N 3.33Å; F89-S91 PolarHBondContact O-N 3.19Å; S91-W93 VanDerWaalsContact C-N 3.31Å; S91-W93 PolarHBondContact O-N 2.84Å; S91-A94 WeakPolarHBondContact O-CB 3.41Å; S91-A94 PolarHBondContact O-N 3.45Å; S91-M95 WeakPolarHBondContact O-CG 3.45Å; S91-M95 PolarHBondContact O-N 3.35Å
92A90.4Very high86Confident55 Ų5562 Ų6246%0.45535%0.345SS..Hα-helixtrans-60.1-43.1174.500000111.5V88 F89 A94 M95 V96V88-A92 WeakPolarHBondContact O-CB 3.18Å; V88-A92 PolarHBondContact O-N 3.28Å; F89-A92 PolarHBondContact O-N 3.42Å; A92-A94 VanDerWaalsContact C-N 3.35Å; A92-A94 PolarHBondContact O-N 3.45Å; A92-M95 PolarHBondContact O-N 3.34Å; A92-V96 WeakPolarHBondContact O-CG2 3.35Å; A92-V96 PolarHBondContact O-N 3.24Å
93W89.5Confident84.8Confident102 Ų10261.8 Ų61.839%0.38635%0.349SS..Hα-helixtrans-63.5-40.5176.5-161.7-86.3000112.2F89 A90 S91 M95 V96 A97 L107 P110 L111F89-W93 HydrophobicContact CE1-CE3 4.15Å; F89-W93 HydrophobicContact CE2-CE3 4.46Å; F89-W93 AromaticContact CZ-CE3 3.76Å; F89-W93 HydrophobicContact CZ-CE3 3.76Å; F89-W93 HydrophobicContact CZ-CZ3 4.06Å; F89-W93 WeakPolarHBondContact O-CB 3.29Å; F89-W93 PolarHBondContact O-N 3.46Å; A90-W93 PolarHBondContact O-N 3.5Å; S91-W93 VanDerWaalsContact C-N 3.31Å; S91-W93 PolarHBondContact O-N 2.84Å; W93-M95 VanDerWaalsContact C-N 3.33Å; W93-M95 PolarHBondContact O-N 2.99Å; W93-V96 PolarHBondContact O-N 2.93Å; W93-A97 WeakPolarHBondContact O-CB 3.42Å; W93-A97 PolarHBondContact O-N 2.87Å; W93-L107 PolarHBondContact NE1-O 3.29Å; W93-P110 HydrophobicContact CZ2-CG 4.45Å; W93-L111 HydrophobicContact CB-CD2 4.37Å
94A86.8Confident83.7Confident0 Ų064.8 Ų64.80%036%0.36CS..Hα-helixtrans-65-36.4175.800000112.2Q7 Y10 V11 A90 S91 A92 A97 Y98 L111Q7-A94 PolarHBondContact NE2-O 3.33Å; Y10-A94 HydrophobicContact CD1-CB 4.09Å; Y10-A94 HydrophobicContact CE1-CB 3.77Å; V11-A94 HydrophobicContact CG2-CB 3.78Å; A90-A94 VanDerWaalsContact O-CB 3.29Å; A90-A94 WeakPolarHBondContact O-CB 3.46Å; A90-A94 PolarHBondContact O-N 3.35Å; S91-A94 WeakPolarHBondContact O-CB 3.41Å; S91-A94 PolarHBondContact O-N 3.45Å; A92-A94 VanDerWaalsContact C-N 3.35Å; A92-A94 PolarHBondContact O-N 3.45Å; A94-A97 PolarHBondContact O-N 3Å; A94-Y98 PolarHBondContact O-N 3.05Å; A94-L111 HydrophobicContact CB-CD2 3.96Å
95M85.1Confident82.5Confident89 Ų8965.2 Ų65.244%0.43837%0.369SS..Hα-helixtrans-65.8-42.5173.5-69.4-69-87.100111.1S91 A92 W93 A97 Y98 Y99S91-M95 WeakPolarHBondContact O-CG 3.45Å; S91-M95 PolarHBondContact O-N 3.35Å; A92-M95 PolarHBondContact O-N 3.34Å; W93-M95 VanDerWaalsContact C-N 3.33Å; W93-M95 PolarHBondContact O-N 2.99Å; M95-A97 PolarHBondContact O-N 3.24Å; M95-Y98 VanDerWaalsContact O-CB 3.28Å; M95-Y98 WeakPolarHBondContact O-CB 3.18Å; M95-Y98 PolarHBondContact O-N 3.42Å; M95-Y98 VanDerWaalsContact O-N 3.14Å; M95-Y99 WeakPolarHBondContact O-CD2 3.33Å; M95-Y99 PolarHBondContact O-N 2.85Å
96V85.4Confident81.6Confident90 Ų9067.8 Ų67.855%0.54538%0.379SS..Hα-helixtrans-62-43.9174.1174.80000111.1A92 W93 Y98 Y99 G100 L107A92-V96 WeakPolarHBondContact O-CG2 3.35Å; A92-V96 PolarHBondContact O-N 3.24Å; W93-V96 PolarHBondContact O-N 2.93Å; V96-Y98 PolarHBondContact O-N 3.16Å; V96-Y99 PolarHBondContact O-N 3.15Å; V96-G100 PolarHBondContact O-N 3.19Å; V96-G100 VanDerWaalsContact O-N 3.08Å; V96-L107 HydrophobicContact CG1-CD2 4.27Å
97A83Confident80.9Confident0 Ų068 Ų680%038%0.38CS..Hα-helixtrans-64.7-24.3176.200000113.1W93 A94 M95 L107 T108W93-A97 WeakPolarHBondContact O-CB 3.42Å; W93-A97 PolarHBondContact O-N 2.87Å; A94-A97 PolarHBondContact O-N 3Å; M95-A97 PolarHBondContact O-N 3.24Å; A97-L107 HydrophobicContact CB-CB 4.13Å; A97-L107 HydrophobicContact CB-CD2 4.35Å; A97-T108 HydrophobicContact CB-CG2 4.47Å
98Y79.5Confident80.3Confident112 Ų11267.9 Ų67.944%0.43938%0.379SS..Hα-helixtrans-69.7-40175.5-173.1-101.7000111.8Q7 A94 M95 V96Q7-Y98 HydrophobicContact CG-CD2 4.38Å; Q7-Y98 VanDerWaalsContact NE2-CB 3.3Å; A94-Y98 PolarHBondContact O-N 3.05Å; M95-Y98 VanDerWaalsContact O-CB 3.28Å; M95-Y98 WeakPolarHBondContact O-CB 3.18Å; M95-Y98 PolarHBondContact O-N 3.42Å; M95-Y98 VanDerWaalsContact O-N 3.14Å; V96-Y98 PolarHBondContact O-N 3.16Å
99Y80.1Confident79.8Confident171 Ų17169.2 Ų69.267%0.67138%0.38SS*.Hα-helixtrans-86-16.4-179.8-66.5-70.3000113.9M95 V96 C101M95-Y99 WeakPolarHBondContact O-CD2 3.33Å; M95-Y99 PolarHBondContact O-N 2.85Å; V96-Y99 PolarHBondContact O-N 3.15Å; Y99-C101 PolarHBondContact O-N 2.78Å
100G72.4Confident79.5Confident27 Ų2766 Ų6628%0.27837%0.37SS..  trans-76.5106.1179.700000113.1V96V96-G100 PolarHBondContact O-N 3.19Å; V96-G100 VanDerWaalsContact O-N 3.08Å
101C66.5Low79.3Confident111 Ų11166.1 Ų66.175%0.7537%0.371SS*.SBendtrans-78.2-28.8178-69.10000114.7Y99Y99-C101 PolarHBondContact O-N 2.78Å
102C65.4Low79.3Confident121 Ų12165.2 Ų65.282%0.81836%0.364SS*.SBendtrans-103.5-3.8-164.5-61.80000117.1
103C68.8Low79.3Confident75 Ų7570.3 Ų70.351%0.50737%0.373SS..  trans-147.236.7-176.4-70.50000112.9G105 V106 L107C103-G105 VanDerWaalsContact C-N 3.29Å; C103-G105 PolarHBondContact O-N 3.22Å; C103-V106 PolarHBondContact O-N 2.86Å; C103-L107 HydrophobicContact CB-CD1 3.88Å; C103-L107 WeakPolarHBondContact O-CD1 3.44Å; C103-L107 PolarHBondContact O-N 3.46Å; C103-L107 VanDerWaalsContact O-N 3.08Å
104R69Low79.5Confident65 Ų6566.8 Ų66.825%0.24536%0.363CS..Hα-helixtrans-61-34.8-170-165.5172.7-176.6154.2-2.3113.4T108R104-T108 HydrophobicContact CG-CG2 4.03Å; R104-T108 WeakPolarHBondContact O-CB 3.49Å; R104-T108 VanDerWaalsContact O-CG2 3.24Å; R104-T108 WeakPolarHBondContact O-CG2 3.39Å; R104-T108 PolarHBondContact O-N 3.01Å; R104-T108 PolarHBondContact O-OG1 3.42Å
105G68.4Low79.6Confident33 Ų3366.8 Ų66.834%0.3436%0.363SS..Hα-helixtrans-60.4-49.2176.500000112.8C103 T108 Q109C103-G105 VanDerWaalsContact C-N 3.29Å; C103-G105 PolarHBondContact O-N 3.22Å; G105-T108 PolarHBondContact O-N 3.41Å; G105-T108 PolarHBondContact O-OG1 3.32Å; G105-Q109 PolarHBondContact O-N 3.39Å
106V75.4Confident80Confident109 Ų10964.3 Ų64.366%0.66136%0.356SS*.Hα-helixtrans-69.6-37.1-178.9-178.10000111.5C103 P110C103-V106 PolarHBondContact O-N 2.86Å; V106-P110 VanDerWaalsContact O-CD 3.22Å; V106-P110 WeakPolarHBondContact O-CD 3.48Å
107L77.3Confident80.4Confident44 Ų4464 Ų6423%0.2335%0.351CS..Hα-helixtrans-73.4-27.5-179.9-94.874.1000113.5W93 V96 A97 C103 P110W93-L107 PolarHBondContact NE1-O 3.29Å; V96-L107 HydrophobicContact CG1-CD2 4.27Å; A97-L107 HydrophobicContact CB-CB 4.13Å; A97-L107 HydrophobicContact CB-CD2 4.35Å; C103-L107 HydrophobicContact CB-CD1 3.88Å; C103-L107 WeakPolarHBondContact O-CD1 3.44Å; C103-L107 PolarHBondContact O-N 3.46Å; C103-L107 VanDerWaalsContact O-N 3.08Å; L107-P110 WeakPolarHBondContact O-CD 3.38Å; L107-P110 WeakPolarHBondContact O-CG 3.47Å
108T79.1Confident80.8Confident2 Ų264 Ų641%0.01235%0.351CS..Hα-helixtrans-87.8-23.9-177.951.80000113.7A97 R104 G105 L111 P112 S174A97-T108 HydrophobicContact CB-CG2 4.47Å; R104-T108 HydrophobicContact CG-CG2 4.03Å; R104-T108 WeakPolarHBondContact O-CB 3.49Å; R104-T108 VanDerWaalsContact O-CG2 3.24Å; R104-T108 WeakPolarHBondContact O-CG2 3.39Å; R104-T108 PolarHBondContact O-N 3.01Å; R104-T108 PolarHBondContact O-OG1 3.42Å; G105-T108 PolarHBondContact O-N 3.41Å; G105-T108 PolarHBondContact O-OG1 3.32Å; T108-L111 HydrophobicContact CG2-CD1 4.16Å; T108-L111 WeakPolarHBondContact O-CB 3.44Å; T108-L111 PolarHBondContact O-N 2.84Å; T108-P112 WeakPolarHBondContact O-CD 3.44Å; T108-S174 WeakPolarHBondContact OG1-CB 3.42Å; T108-S174 PolarHBondContact OG1-OG 3.23Å
109Q82.5Confident81.5Confident101 Ų10160.5 Ų60.547%0.47234%0.338SS..THydrogen-bonded Turntrans-59.2-37.6178.3-169171.5-19.600115.5G105 L111 P112 Y113G105-Q109 PolarHBondContact O-N 3.39Å; Q109-L111 VanDerWaalsContact C-N 3.34Å; Q109-L111 PolarHBondContact O-N 2.9Å; Q109-P112 VanDerWaalsContact O-CD 3.31Å; Q109-P112 WeakPolarHBondContact O-CD 3.43Å; Q109-P112 WeakPolarHBondContact O-CG 3.49Å; Q109-Y113 HydrophobicContact CG-CE2 4.37Å; Q109-Y113 WeakPolarHBondContact O-CD2 3.48Å; Q109-Y113 WeakPolarHBondContact O-CE2 3.44Å
110P85.7Confident82.2Confident44 Ų4456.3 Ų56.329%0.28633%0.33SS..THydrogen-bonded Turntrans-72.8-21.7178.127-35.6000114.1W93 V106 L107 Y113 V114W93-P110 HydrophobicContact CZ2-CG 4.45Å; V106-P110 VanDerWaalsContact O-CD 3.22Å; V106-P110 WeakPolarHBondContact O-CD 3.48Å; L107-P110 WeakPolarHBondContact O-CD 3.38Å; L107-P110 WeakPolarHBondContact O-CG 3.47Å; P110-Y113 PolarHBondContact O-N 3.2Å; P110-Y113 VanDerWaalsContact O-N 3.14Å; P110-V114 WeakPolarHBondContact O-CG2 3.48Å; P110-V114 PolarHBondContact O-N 3.14Å; P110-V114 VanDerWaalsContact O-N 3.09Å
111L87Confident83.2Confident4 Ų458 Ų582%0.02133%0.33CS..Hα-helixtrans-53.4-53.8-176.8-71.7161000113.6Y10 W93 A94 T108 Q109 Y113 V114 T115Y10-L111 HydrophobicContact CE1-CD2 3.82Å; Y10-L111 WeakPolarHBondContact OH-CD2 3.4Å; W93-L111 HydrophobicContact CB-CD2 4.37Å; A94-L111 HydrophobicContact CB-CD2 3.96Å; T108-L111 HydrophobicContact CG2-CD1 4.16Å; T108-L111 WeakPolarHBondContact O-CB 3.44Å; T108-L111 PolarHBondContact O-N 2.84Å; Q109-L111 VanDerWaalsContact C-N 3.34Å; Q109-L111 PolarHBondContact O-N 2.9Å; L111-Y113 PolarHBondContact O-N 2.9Å; L111-V114 PolarHBondContact O-N 3.43Å; L111-T115 PolarHBondContact O-N 3.32Å; L111-T115 PolarHBondContact O-OG1 3.31Å
112P88.6Confident84.4Confident15 Ų1552.8 Ų52.810%0.09730%0.295CS..Hα-helixtrans-61.4-30.2179.723.8-36000113.3T108 Q109 T115 A116 A167 I168 A171T108-P112 WeakPolarHBondContact O-CD 3.44Å; Q109-P112 VanDerWaalsContact O-CD 3.31Å; Q109-P112 WeakPolarHBondContact O-CD 3.43Å; Q109-P112 WeakPolarHBondContact O-CG 3.49Å; P112-T115 WeakPolarHBondContact CA-OG1 3.43Å; P112-T115 PolarHBondContact O-OG1 2.88Å; P112-A116 WeakPolarHBondContact O-CB 3.26Å; P112-A116 PolarHBondContact O-N 3.21Å; P112-A167 HydrophobicContact CB-CB 3.95Å; P112-I168 HydrophobicContact CB-CG1 4.07Å; P112-A171 HydrophobicContact CG-CB 4.03Å
113Y90.8Very high85.8Confident161 Ų16150 Ų5063%0.63127%0.271SS*.Hα-helixtrans-71.6-40.9177.3-63.5-78.3000111.6Q109 P110 L111 L117Q109-Y113 HydrophobicContact CG-CE2 4.37Å; Q109-Y113 WeakPolarHBondContact O-CD2 3.48Å; Q109-Y113 WeakPolarHBondContact O-CE2 3.44Å; P110-Y113 PolarHBondContact O-N 3.2Å; P110-Y113 VanDerWaalsContact O-N 3.14Å; L111-Y113 PolarHBondContact O-N 2.9Å; Y113-L117 VanDerWaalsContact O-CB 3.29Å; Y113-L117 WeakPolarHBondContact O-CB 3.39Å; Y113-L117 PolarHBondContact O-N 2.99Å
114V92Very high86.9Confident29 Ų2948.1 Ų48.118%0.17626%0.261CS..Hα-helixtrans-67.8-41178.4179.40000110.8L86 F89 A90 P110 L111 L117 A118L86-V114 HydrophobicContact CB-CG1 4.48Å; L86-V114 HydrophobicContact CD2-CG1 4.32Å; F89-V114 HydrophobicContact CD1-CG1 4.21Å; A90-V114 HydrophobicContact CB-CG1 3.87Å; P110-V114 WeakPolarHBondContact O-CG2 3.48Å; P110-V114 PolarHBondContact O-N 3.14Å; P110-V114 VanDerWaalsContact O-N 3.09Å; L111-V114 PolarHBondContact O-N 3.43Å; V114-L117 PolarHBondContact O-N 2.84Å; V114-A118 PolarHBondContact O-N 2.87Å
115T90.8Very high87.9Confident0 Ų045 Ų450%025%0.25CC..Hα-helixtrans-73-37.9177.9510000113.3Y10 L14 A90 L111 P112 L117 A118 F119Y10-T115 HydrophobicContact CE2-CG2 3.78Å; Y10-T115 WeakPolarHBondContact OH-CG2 3.46Å; L14-T115 HydrophobicContact CD2-CG2 3.82Å; A90-T115 HydrophobicContact CB-CG2 4.13Å; L111-T115 PolarHBondContact O-N 3.32Å; L111-T115 PolarHBondContact O-OG1 3.31Å; P112-T115 WeakPolarHBondContact CA-OG1 3.43Å; P112-T115 PolarHBondContact O-OG1 2.88Å; T115-L117 VanDerWaalsContact C-N 3.27Å; T115-L117 PolarHBondContact O-N 3.42Å; T115-A118 PolarHBondContact O-N 2.78Å; T115-F119 WeakPolarHBondContact O-CB 3.27Å; T115-F119 PolarHBondContact O-N 2.67Å
116A91.8Very high89Confident37 Ų3743.5 Ų43.531%0.30623%0.234SC..Hα-helixtrans-60.4-40.2170.700000111.2P112 F119 V120 T164P112-A116 WeakPolarHBondContact O-CB 3.26Å; P112-A116 PolarHBondContact O-N 3.21Å; A116-F119 WeakPolarHBondContact O-CB 3.11Å; A116-F119 PolarHBondContact O-N 2.96Å; A116-V120 WeakPolarHBondContact O-CG2 3.11Å; A116-V120 PolarHBondContact O-N 3.24Å; A116-T164 HydrophobicContact CB-CG2 4.1Å
117L93.7Very high89.7Confident82 Ų8242.5 Ų42.543%0.42922%0.224SC..Hα-helixtrans-65.7-42.9175.6-173.565.3000111.7L86 Y113 V114 T115 F119 V120 F121L86-L117 HydrophobicContact CD1-CB 4.43Å; L86-L117 HydrophobicContact CD1-CD2 4.02Å; L86-L117 HydrophobicContact CD1-CG 3.93Å; Y113-L117 VanDerWaalsContact O-CB 3.29Å; Y113-L117 WeakPolarHBondContact O-CB 3.39Å; Y113-L117 PolarHBondContact O-N 2.99Å; V114-L117 PolarHBondContact O-N 2.84Å; T115-L117 VanDerWaalsContact C-N 3.27Å; T115-L117 PolarHBondContact O-N 3.42Å; L117-F119 VanDerWaalsContact C-N 3.31Å; L117-F119 PolarHBondContact O-N 2.94Å; L117-V120 PolarHBondContact O-N 2.91Å; L117-F121 HydrophobicContact CD1-CD2 4.13Å; L117-F121 HydrophobicContact CD1-CE2 3.65Å; L117-F121 HydrophobicContact CD1-CZ 4.41Å; L117-F121 HydrophobicContact CD2-CE2 4.09Å; L117-F121 HydrophobicContact CG-CD2 3.89Å; L117-F121 HydrophobicContact CG-CE2 3.61Å; L117-F121 WeakPolarHBondContact O-CD2 3.28Å; L117-F121 PolarHBondContact O-N 3.37Å
118A92.5Very high90.2Very high0 Ų042.2 Ų42.20%023%0.225CC..Hα-helixtrans-59-43.4173.800000111.4A83 L86 V114 T115 V120 F121 D122 L160A83-A118 WeakPolarHBondContact CB-O 3.4Å; L86-A118 HydrophobicContact CB-CB 3.81Å; L86-A118 HydrophobicContact CD1-CB 4.37Å; V114-A118 PolarHBondContact O-N 2.87Å; T115-A118 PolarHBondContact O-N 2.78Å; A118-V120 PolarHBondContact O-N 3.41Å; A118-F121 PolarHBondContact O-N 2.97Å; A118-D122 WeakPolarHBondContact O-CB 3.26Å; A118-D122 PolarHBondContact O-N 3.2Å; A118-L160 HydrophobicContact CB-CD2 4.21Å
119F93.1Very high90.4Very high40 Ų4042.2 Ų42.218%0.17523%0.225CC..Hα-helixtrans-61-43.7175.8173.9-97.7000112.3T115 A116 L117 F121 D122 L123 L157 L160 L161T115-F119 WeakPolarHBondContact O-CB 3.27Å; T115-F119 PolarHBondContact O-N 2.67Å; A116-F119 WeakPolarHBondContact O-CB 3.11Å; A116-F119 PolarHBondContact O-N 2.96Å; L117-F119 VanDerWaalsContact C-N 3.31Å; L117-F119 PolarHBondContact O-N 2.94Å; F119-F121 VanDerWaalsContact C-N 3.34Å; F119-F121 PolarHBondContact O-N 3.01Å; F119-D122 PolarHBondContact O-N 3.29Å; F119-L123 HydrophobicContact CE1-CD2 4.15Å; F119-L123 HydrophobicContact CZ-CD2 4.31Å; F119-L123 VanDerWaalsContact O-CB 3.22Å; F119-L123 WeakPolarHBondContact O-CB 3.29Å; F119-L123 PolarHBondContact O-N 3.46Å; F119-L157 HydrophobicContact CD2-CD1 3.93Å; F119-L157 HydrophobicContact CD2-CG 4.3Å; F119-L157 HydrophobicContact CE2-CD1 3.77Å; F119-L157 HydrophobicContact CE2-CD2 4.41Å; F119-L157 HydrophobicContact CE2-CG 3.82Å; F119-L160 HydrophobicContact CB-CD2 4.09Å; F119-L160 HydrophobicContact CB-CG 4.18Å; F119-L161 HydrophobicContact CD2-CB 4.06Å; F119-L161 HydrophobicContact CD2-CD1 4.38Å; F119-L161 HydrophobicContact CE1-CD1 4.22Å; F119-L161 HydrophobicContact CE2-CB 3.7Å; F119-L161 HydrophobicContact CE2-CD1 3.93Å; F119-L161 HydrophobicContact CE2-CD2 4.43Å; F119-L161 HydrophobicContact CE2-CG 4.22Å; F119-L161 HydrophobicContact CZ-CB 4.41Å; F119-L161 HydrophobicContact CZ-CD1 3.85Å; F119-L161 HydrophobicContact CZ-CD2 4.45Å; F119-L161 HydrophobicContact CZ-CG 4.46Å
120V94.7Very high90.4Very high83 Ų8339.7 Ų39.750%0.50322%0.216SC..Hα-helixtrans-62.7-41.8176.9171.10000111.1A116 L117 A118 A124A116-V120 WeakPolarHBondContact O-CG2 3.11Å; A116-V120 PolarHBondContact O-N 3.24Å; L117-V120 PolarHBondContact O-N 2.91Å; A118-V120 PolarHBondContact O-N 3.41Å; V120-A124 WeakPolarHBondContact O-CB 3.21Å; V120-A124 PolarHBondContact O-N 3.25Å
121F94.1Very high90.2Very high62 Ų6244.9 Ų44.927%0.27224%0.237SC..Hα-helixtrans-67.8-40.1176.2-79.2-61.7000112.9C79 A83 L86 L117 A118 F119 A124 G125C79-F121 HydrophobicContact CB-CD1 4.34Å; C79-F121 WeakPolarHBondContact CB-O 3.35Å; A83-F121 HydrophobicContact CB-CB 3.92Å; L86-F121 HydrophobicContact CD1-CD2 3.54Å; L86-F121 HydrophobicContact CD1-CE2 3.88Å; L117-F121 HydrophobicContact CD1-CD2 4.13Å; L117-F121 HydrophobicContact CD1-CE2 3.65Å; L117-F121 HydrophobicContact CD1-CZ 4.41Å; L117-F121 HydrophobicContact CD2-CE2 4.09Å; L117-F121 HydrophobicContact CG-CD2 3.89Å; L117-F121 HydrophobicContact CG-CE2 3.61Å; L117-F121 WeakPolarHBondContact O-CD2 3.28Å; L117-F121 PolarHBondContact O-N 3.37Å; A118-F121 PolarHBondContact O-N 2.97Å; F119-F121 VanDerWaalsContact C-N 3.34Å; F119-F121 PolarHBondContact O-N 3.01Å; F121-A124 PolarHBondContact O-N 3.5Å; F121-G125 PolarHBondContact O-N 3.35Å
122D92.5Very high89.4Confident1 Ų146.5 Ų46.51%0.00525%0.245CC..Hα-helixtrans-65-45.6177.6-162.535.7000110.6L80 A83 A118 F119 G125 L126 L157 L160L80-D122 WeakPolarHBondContact CD2-OD1 3.41Å; A83-D122 HydrophobicContact CB-CB 3.88Å; A118-D122 WeakPolarHBondContact O-CB 3.26Å; A118-D122 PolarHBondContact O-N 3.2Å; F119-D122 PolarHBondContact O-N 3.29Å; D122-G125 PolarHBondContact O-N 2.92Å; D122-L126 WeakPolarHBondContact O-CG 3.37Å; D122-L126 PolarHBondContact O-N 3.38Å; D122-L157 HydrophobicContact CB-CD1 3.84Å; D122-L157 WeakPolarHBondContact OD2-CA 3.25Å; D122-L157 WeakPolarHBondContact OD2-CD1 3.42Å; D122-L160 HydrophobicContact CB-CD2 4.29Å
123L93.5Very high88.3Confident63 Ų6352.5 Ų52.533%0.3327%0.272SS..Hα-helixtrans-62.4-47.7175.5-174.567.8000111.8F119 G125 L126 I127 L157F119-L123 HydrophobicContact CE1-CD2 4.15Å; F119-L123 HydrophobicContact CZ-CD2 4.31Å; F119-L123 VanDerWaalsContact O-CB 3.22Å; F119-L123 WeakPolarHBondContact O-CB 3.29Å; F119-L123 PolarHBondContact O-N 3.46Å; L123-G125 VanDerWaalsContact C-N 3.31Å; L123-G125 PolarHBondContact O-N 3.23Å; L123-L126 PolarHBondContact O-N 2.9Å; L123-I127 HydrophobicContact CD1-CD1 4.14Å; L123-I127 HydrophobicContact CD1-CG1 4.49Å; L123-I127 HydrophobicContact CD2-CD1 4.42Å; L123-I127 HydrophobicContact CG-CD1 3.82Å; L123-I127 HydrophobicContact CG-CG1 4.49Å; L123-I127 WeakPolarHBondContact O-CB 3.11Å; L123-I127 VanDerWaalsContact O-CG1 3.26Å; L123-I127 WeakPolarHBondContact O-CG1 3.46Å; L123-I127 PolarHBondContact O-N 2.99Å; L123-L157 HydrophobicContact CB-CD1 3.98Å; L123-L157 HydrophobicContact CD1-CD1 4.38Å; L123-L157 HydrophobicContact CD1-CD2 3.96Å
124A93.1Very high87.1Confident36 Ų3647 Ų4730%0.29825%0.253SS..Hα-helixtrans-62-40.5177.600000111.2V120 F121 I127 C128V120-A124 WeakPolarHBondContact O-CB 3.21Å; V120-A124 PolarHBondContact O-N 3.25Å; F121-A124 PolarHBondContact O-N 3.5Å; A124-I127 PolarHBondContact O-N 3.23Å; A124-C128 WeakPolarHBondContact O-CB 3.33Å; A124-C128 PolarHBondContact O-N 3.03Å; A124-C128 PolarHBondContact O-SG 2.92Å
125G90Very high85.7Confident0 Ų045.8 Ų45.80%025%0.246CC..Hα-helixtrans-60-48.7175.100000112.6G76 F121 D122 L123 C128 I129G76-G125 WeakPolarHBondContact O-CA 3.31Å; F121-G125 PolarHBondContact O-N 3.35Å; D122-G125 PolarHBondContact O-N 2.92Å; L123-G125 VanDerWaalsContact C-N 3.31Å; L123-G125 PolarHBondContact O-N 3.23Å; G125-C128 PolarHBondContact O-N 3.5Å; G125-I129 WeakPolarHBondContact O-CD1 3.37Å; G125-I129 WeakPolarHBondContact O-CG1 3.48Å; G125-I129 PolarHBondContact O-N 3.43Å; G125-I129 VanDerWaalsContact O-N 3.16Å
126L90.4Very high84.3Confident1 Ų146.2 Ų46.21%0.00525%0.251CS..Hα-helixtrans-63.5-43.7177-75.9176.1000112.5W30 L80 D122 L123 I129 T130 A153 F154 L157W30-L126 HydrophobicContact CH2-CD2 3.88Å; W30-L126 HydrophobicContact CZ3-CD2 4.06Å; L80-L126 HydrophobicContact CD2-CG 4.35Å; D122-L126 WeakPolarHBondContact O-CG 3.37Å; D122-L126 PolarHBondContact O-N 3.38Å; L123-L126 PolarHBondContact O-N 2.9Å; L126-I129 PolarHBondContact O-N 3.26Å; L126-T130 WeakPolarHBondContact O-CB 3.36Å; L126-T130 WeakPolarHBondContact O-CG2 3.48Å; L126-T130 PolarHBondContact O-N 3.37Å; L126-T130 PolarHBondContact O-OG1 3.06Å; L126-A153 HydrophobicContact CD2-CB 3.73Å; L126-F154 HydrophobicContact CD1-CD1 4.08Å; L126-F154 HydrophobicContact CD1-CE1 4.21Å; L126-L157 HydrophobicContact CD1-CB 4.08Å; L126-L157 HydrophobicContact CD1-CD1 4.19Å; L126-L157 HydrophobicContact CD1-CD2 4.08Å; L126-L157 HydrophobicContact CD1-CG 4.33Å
127I90.2Very high82.7Confident88 Ų8852 Ų5245%0.45127%0.271SS..Hα-helixtrans-62.7-46.1177.7-69168.2000110L123 A124 I129 T130 H131L123-I127 HydrophobicContact CD1-CD1 4.14Å; L123-I127 HydrophobicContact CD1-CG1 4.49Å; L123-I127 HydrophobicContact CD2-CD1 4.42Å; L123-I127 HydrophobicContact CG-CD1 3.82Å; L123-I127 HydrophobicContact CG-CG1 4.49Å; L123-I127 WeakPolarHBondContact O-CB 3.11Å; L123-I127 VanDerWaalsContact O-CG1 3.26Å; L123-I127 WeakPolarHBondContact O-CG1 3.46Å; L123-I127 PolarHBondContact O-N 2.99Å; A124-I127 PolarHBondContact O-N 3.23Å; I127-I129 VanDerWaalsContact C-N 3.27Å; I127-I129 PolarHBondContact O-N 2.8Å; I127-T130 PolarHBondContact O-N 3.28Å; I127-H131 WeakPolarHBondContact O-CA 3.42Å; I127-H131 WeakPolarHBondContact O-CB 3.16Å; I127-H131 PolarHBondContact O-N 3.38Å
128C87.4Confident81.2Confident37 Ų3750.6 Ų50.625%0.2526%0.261CS..Hα-helixtrans-59.6-36.9179.5-73.60000113V72 A124 G125V72-C128 HydrophobicContact CG1-CB 4.11Å; A124-C128 WeakPolarHBondContact O-CB 3.33Å; A124-C128 PolarHBondContact O-N 3.03Å; A124-C128 PolarHBondContact O-SG 2.92Å; G125-C128 PolarHBondContact O-N 3.5Å
129I84.4Confident79.7Confident3 Ų352.6 Ų52.62%0.01528%0.275CS..Hα-helixtrans-80.1-37.1-179.2-65.5163.7000111.8W30 L46 I77 L80 G125 L126 I127 I135W30-I129 HydrophobicContact CE3-CG2 4.08Å; W30-I129 HydrophobicContact CH2-CD1 4.31Å; W30-I129 HydrophobicContact CZ3-CD1 4.36Å; W30-I129 HydrophobicContact CZ3-CG2 3.94Å; L46-I129 HydrophobicContact CD1-CD1 4.12Å; L46-I129 HydrophobicContact CD2-CD1 4.19Å; L46-I129 HydrophobicContact CG-CD1 4.4Å; I77-I129 HydrophobicContact CG1-CD1 4.42Å; L80-I129 HydrophobicContact CD1-CD1 3.59Å; G125-I129 WeakPolarHBondContact O-CD1 3.37Å; G125-I129 WeakPolarHBondContact O-CG1 3.48Å; G125-I129 PolarHBondContact O-N 3.43Å; G125-I129 VanDerWaalsContact O-N 3.16Å; L126-I129 PolarHBondContact O-N 3.26Å; I127-I129 VanDerWaalsContact C-N 3.27Å; I127-I129 PolarHBondContact O-N 2.8Å; I129-I135 HydrophobicContact CG2-CD1 4.11Å; I129-I135 HydrophobicContact CG2-CG1 4.5Å
130T82.9Confident78Confident47 Ų4753.6 Ų53.629%0.28828%0.278SS..Hα-helixtrans-89.4-21-17656.90000114L126 I127 D132 L150 F154L126-T130 WeakPolarHBondContact O-CB 3.36Å; L126-T130 WeakPolarHBondContact O-CG2 3.48Å; L126-T130 PolarHBondContact O-N 3.37Å; L126-T130 PolarHBondContact O-OG1 3.06Å; I127-T130 PolarHBondContact O-N 3.28Å; T130-D132 VanDerWaalsContact C-N 3.34Å; T130-L150 HydrophobicContact CG2-CD1 4.05Å; T130-F154 HydrophobicContact CG2-CZ 4.46Å
131H80.1Confident76.3Confident154 Ų15453.2 Ų53.271%0.71328%0.276SS*.Hα-helixtrans-67-39.2177.3176.2-78000111.2I127 Q133I127-H131 WeakPolarHBondContact O-CA 3.42Å; I127-H131 WeakPolarHBondContact O-CB 3.16Å; I127-H131 PolarHBondContact O-N 3.38Å; H131-Q133 PolarHBondContact O-N 3.43Å
132D70.3Confident74.4Confident38 Ų3859 Ų5920%0.20331%0.309CS..SBendtrans-76.2115.5170.2-139.9-19.4000106.6K70 T130 D134K70-D132 WeakPolarHBondContact CD-OD2 2.95Å; K70-D132 WeakPolarHBondContact CE-OD2 3.26Å; K70-D132 IonicContact NZ-OD1 3.4Å; K70-D132 PolarHBondContact NZ-OD1 2.9Å; K70-D132 IonicContact NZ-OD2 2.93Å; K70-D132 PolarHBondContact NZ-OD2 3.26Å; T130-D132 VanDerWaalsContact C-N 3.34Å; D132-D134 PolarHBondContact O-N 3Å
133Q65.9Low72.9Confident140 Ų14062 Ų6265%0.65432%0.324SS*.SBendtrans-70.820.7173.5-68-173.6-30.900111.6H131 S139 Y140H131-Q133 PolarHBondContact O-N 3.43Å; Q133-S139 CarbonylContact O-C 3.52Å; Q133-S139 VanDerWaalsContact O-CA 3.3Å; Q133-S139 WeakPolarHBondContact O-CA 3.46Å; Q133-S139 PolarHBondContact O-OG 3.45Å; Q133-Y140 VanDerWaalsContact C-CD2 3.44Å; Q133-Y140 HydrophobicContact CB-CD2 4.41Å; Q133-Y140 VanDerWaalsContact O-CD2 3.26Å; Q133-Y140 WeakPolarHBondContact O-CD2 3.15Å; Q133-Y140 PolarHBondContact O-N 3.27Å
134D66.8Low71.6Confident46 Ų4660 Ų6025%0.24632%0.315CS..EExtended strand (participates in β ladder)trans-135.3139.4173.2-50.7-42.3000108.2K70 D132 Y138 S139K70-D134 IonicContact NZ-OD2 2.8Å; K70-D134 PolarHBondContact NZ-OD2 3.32Å; D132-D134 PolarHBondContact O-N 3Å; D134-Y138 CarbonylContact C-O 3.06Å; D134-Y138 WeakPolarHBondContact CA-O 3.24Å; D134-S139 WeakPolarHBondContact OD1-CA 3.22Å; D134-S139 WeakPolarHBondContact OD1-CB 3.21Å; D134-S139 PolarHBondContact OD1-OG 3.27Å
135I61.8Low70.7Confident3 Ų363.6 Ų63.62%0.01532%0.324CS..EExtended strand (participates in β ladder)trans-105.9104.2160.2-61.2-177.3000107W30 L31 T44 E73 I129 Q137 Y138W30-I135 HydrophobicContact CB-CD1 4.26Å; L31-I135 HydrophobicContact CD1-CB 3.84Å; L31-I135 HydrophobicContact CD1-CD1 3.54Å; L31-I135 HydrophobicContact CD1-CG1 3.62Å; L31-I135 HydrophobicContact CG-CD1 3.89Å; L31-I135 HydrophobicContact CG-CG1 4.49Å; T44-I135 HydrophobicContact CG2-CB 4.35Å; T44-I135 HydrophobicContact CG2-CG2 3.95Å; E73-I135 VanDerWaalsContact OE1-CA 3.26Å; E73-I135 WeakPolarHBondContact OE1-CA 3.13Å; I129-I135 HydrophobicContact CG2-CD1 4.11Å; I129-I135 HydrophobicContact CG2-CG1 4.5Å; I135-Q137 PolarHBondContact O-N 3.24Å; I135-Y138 PolarHBondContact N-O 3.48Å; I135-Y138 PolarHBondContact O-N 3.36Å
136G60.4Low70.1Confident10 Ų1067.9 Ų67.910%0.10335%0.346CS..THydrogen-bonded Turntrans68-115.3-171.800000112.2E73E73-G136 PolarHBondContact OE1-N 3.19Å; E73-G136 PolarHBondContact OE2-N 2.93Å
137Q58.4Low69.6Low158 Ų15867.8 Ų67.874%0.73835%0.346SS*.THydrogen-bonded Turntrans-95.40.8178.1-65.5-167.4-35.900113.7I135I135-Q137 PolarHBondContact O-N 3.24Å
138Y62.7Low69.4Low53 Ų5369.2 Ų69.221%0.20835%0.352CS..EExtended strand (participates in β ladder)trans-109.8121.5-169.7-55.3-81.6000110.3R42 D134 I135R42-Y138 PolarHBondContact NH1-OH 2.86Å; D134-Y138 CarbonylContact C-O 3.06Å; D134-Y138 WeakPolarHBondContact CA-O 3.24Å; I135-Y138 PolarHBondContact N-O 3.48Å; I135-Y138 PolarHBondContact O-N 3.36Å
139S60.7Low69.4Low42 Ų4267.5 Ų67.529%0.29434%0.34SS..EExtended strand (participates in β ladder)trans-96.7149-173.8-165.30000112.2Q133 D134 T141Q133-S139 CarbonylContact O-C 3.52Å; Q133-S139 VanDerWaalsContact O-CA 3.3Å; Q133-S139 WeakPolarHBondContact O-CA 3.46Å; Q133-S139 PolarHBondContact O-OG 3.45Å; D134-S139 WeakPolarHBondContact OD1-CA 3.22Å; D134-S139 WeakPolarHBondContact OD1-CB 3.21Å; D134-S139 PolarHBondContact OD1-OG 3.27Å; S139-T141 PolarHBondContact O-N 3.24Å
140Y58.6Low69.5Low60 Ų6067.7 Ų67.724%0.23534%0.341CS..  trans-68.647.7169-73.6-103.4000111.3L31 Q133 I146L31-Y140 HydrophobicContact CD1-CD2 4.44Å; L31-Y140 HydrophobicContact CD1-CE2 4.1Å; L31-Y140 HydrophobicContact CD2-CD1 3.66Å; L31-Y140 HydrophobicContact CD2-CD2 4.39Å; L31-Y140 HydrophobicContact CD2-CE1 3.26Å; L31-Y140 HydrophobicContact CD2-CE2 4.1Å; L31-Y140 HydrophobicContact CD2-CG 4.24Å; L31-Y140 HydrophobicContact CG-CE1 4.38Å; Q133-Y140 VanDerWaalsContact C-CD2 3.44Å; Q133-Y140 HydrophobicContact CB-CD2 4.41Å; Q133-Y140 VanDerWaalsContact O-CD2 3.26Å; Q133-Y140 WeakPolarHBondContact O-CD2 3.15Å; Q133-Y140 PolarHBondContact O-N 3.27Å; Y140-I146 HydrophobicContact CE1-CG1 4.41Å
141T58.5Low69.8Low76 Ų7673.1 Ų73.147%0.46636%0.357SS..  trans-68164.6170.357.10000109.8S139 Q143 A144S139-T141 PolarHBondContact O-N 3.24Å; T141-Q143 PolarHBondContact O-N 2.98Å; T141-A144 PolarHBondContact O-N 3.42Å
142D54.7Low70.3Confident183 Ų18367.7 Ų67.798%0.97933%0.333SS*.THydrogen-bonded Turntrans-51.7-6.4-172.7-76.8-35.2000116.6
143Q60.9Low71.3Confident65 Ų6565.9 Ų65.930%0.30432%0.323SS..THydrogen-bonded Turntrans-103.7-12.9179.2-62.8177.42000113.9T141T141-Q143 PolarHBondContact O-N 2.98Å
144A64.5Low72.5Confident19 Ų1962.8 Ų62.816%0.15731%0.308CS..EExtended strand (participates in β ladder)trans-91.2113.8179.100000110.4E32 T141E32-A144 CarbonylContact O-C 3.46Å; E32-A144 WeakPolarHBondContact O-CA 3.22Å; T141-A144 PolarHBondContact O-N 3.42Å
145K75.5Confident73.7Confident112 Ų11263.5 Ų63.549%0.48731%0.314SS..EExtended strand (participates in β ladder)trans-86.1145.6173.5-67.8171.9-176.8163.90110E32 E34 G147E32-K145 HydrophobicContact CB-CB 4.25Å; E32-K145 PolarHBondContact N-O 3.43Å; E32-K145 PolarHBondContact O-N 2.93Å; E34-K145 IonicContact OE1-NZ 2.69Å; E34-K145 PolarHBondContact OE1-NZ 2.84Å; K145-G147 PolarHBondContact O-N 3.43Å
146I78.1Confident75.1Confident90 Ų9063.4 Ų63.446%0.46231%0.313SS..EExtended strand (participates in β ladder)trans-65.6118.3171-63175.5000108.2Y140 L150Y140-I146 HydrophobicContact CE1-CG1 4.41Å; I146-L150 HydrophobicContact CG2-CB 4.28Å; I146-L150 HydrophobicContact CG2-CD1 4.36Å; I146-L150 HydrophobicContact CG2-CD2 3.37Å; I146-L150 HydrophobicContact CG2-CG 4.22Å
147G79.8Confident76.7Confident0 Ų063.7 Ų63.70%031%0.312CS..PPolyproline II helixtrans-78.7161.1-177.500000113.3N29 W30 K145 S149 L150N29-G147 CarbonylContact O-C 3.51Å; N29-G147 WeakPolarHBondContact O-CA 3.33Å; W30-G147 PolarHBondContact O-N 2.88Å; K145-G147 PolarHBondContact O-N 3.43Å; G147-S149 PolarHBondContact O-N 3.4Å; G147-S149 VanDerWaalsContact O-N 3.14Å; G147-L150 PolarHBondContact O-N 2.94Å
148M85.1Confident78.4Confident118 Ų11861.6 Ų61.658%0.58131%0.305SS*.Hα-helixtrans-54.7-33.2-178.6-174.8-170.8-70.700113.3N29 L150 W151 L152N29-M148 PolarHBondContact O-N 3.49Å; M148-L150 PolarHBondContact O-N 3.14Å; M148-W151 WeakPolarHBondContact O-CB 3.39Å; M148-W151 PolarHBondContact O-N 3.17Å; M148-L152 HydrophobicContact CG-CD1 4.41Å; M148-L152 HydrophobicContact CG-CG 4.44Å; M148-L152 WeakPolarHBondContact O-CG 3.31Å; M148-L152 PolarHBondContact O-N 3.09Å
149S88Confident79.8Confident0 Ų060.8 Ų60.80%031%0.306CS..Hα-helixtrans-64.5-41.5-176-168.40000112.8S24 N29 W30 G147 W151 L152 A153S24-S149 WeakPolarHBondContact CA-OG 3.36Å; S24-S149 WeakPolarHBondContact CB-O 3.29Å; S24-S149 WeakPolarHBondContact CB-OG 3.37Å; S24-S149 PolarHBondContact O-OG 3.24Å; N29-S149 WeakPolarHBondContact O-CA 3.1Å; N29-S149 WeakPolarHBondContact O-CB 3.5Å; N29-S149 PolarHBondContact O-N 3.45Å; W30-S149 VanDerWaalsContact CD1-CB 3.5Å; W30-S149 VanDerWaalsContact CD1-OG 3.26Å; W30-S149 PolarHBondContact NE1-OG 3.16Å; G147-S149 PolarHBondContact O-N 3.4Å; G147-S149 VanDerWaalsContact O-N 3.14Å; S149-W151 VanDerWaalsContact C-N 3.3Å; S149-W151 PolarHBondContact O-N 3.27Å; S149-L152 WeakPolarHBondContact O-CB 3.2Å; S149-L152 PolarHBondContact O-N 3.21Å; S149-L152 VanDerWaalsContact O-N 3.15Å; S149-A153 PolarHBondContact O-N 2.86Å
150L86.5Confident81.3Confident7 Ų758.9 Ų58.94%0.03729%0.292CS..Hα-helixtrans-67.7-34.4178.4178157.4000110.8W30 T130 I146 G147 M148 A153 F154W30-L150 HydrophobicContact CD2-CB 4.33Å; W30-L150 HydrophobicContact CE3-CB 3.86Å; W30-L150 HydrophobicContact CE3-CD1 4.07Å; W30-L150 HydrophobicContact CE3-CG 4.19Å; W30-L150 HydrophobicContact CZ3-CB 4.31Å; W30-L150 HydrophobicContact CZ3-CD1 4.43Å; W30-L150 HydrophobicContact CZ3-CG 4.34Å; T130-L150 HydrophobicContact CG2-CD1 4.05Å; I146-L150 HydrophobicContact CG2-CB 4.28Å; I146-L150 HydrophobicContact CG2-CD1 4.36Å; I146-L150 HydrophobicContact CG2-CD2 3.37Å; I146-L150 HydrophobicContact CG2-CG 4.22Å; G147-L150 PolarHBondContact O-N 2.94Å; M148-L150 PolarHBondContact O-N 3.14Å; L150-A153 PolarHBondContact O-N 3.15Å; L150-F154 HydrophobicContact CD2-CD2 3.58Å; L150-F154 HydrophobicContact CD2-CE2 3.36Å; L150-F154 HydrophobicContact CG-CD2 4.36Å; L150-F154 HydrophobicContact CG-CE2 4.06Å; L150-F154 VanDerWaalsContact O-CD2 3.31Å; L150-F154 WeakPolarHBondContact O-CD2 3.45Å; L150-F154 PolarHBondContact O-N 2.98Å
151W89.3Confident83Confident162 Ų16259.8 Ų59.861%0.61430%0.301SS*.Hα-helixtrans-64.2-40.8169.2-82.8102.8000113.5M148 S149 A153 F154 T155M148-W151 WeakPolarHBondContact O-CB 3.39Å; M148-W151 PolarHBondContact O-N 3.17Å; S149-W151 VanDerWaalsContact C-N 3.3Å; S149-W151 PolarHBondContact O-N 3.27Å; W151-A153 VanDerWaalsContact C-N 3.3Å; W151-A153 PolarHBondContact O-N 3.17Å; W151-F154 PolarHBondContact O-N 3.47Å; W151-T155 WeakPolarHBondContact O-CB 3.17Å; W151-T155 PolarHBondContact O-N 3.29Å; W151-T155 PolarHBondContact O-OG1 3.33Å
152L90.5Very high84.7Confident39 Ų3958.6 Ų58.620%0.20430%0.299CS..Hα-helixtrans-61.8-40.9175-69171.2000110.9L20 A23 L27 M148 S149 T155 G156L20-L152 HydrophobicContact CD2-CD2 3.65Å; A23-L152 HydrophobicContact CB-CD1 4.46Å; L27-L152 HydrophobicContact CD1-CD1 3.6Å; M148-L152 HydrophobicContact CG-CD1 4.41Å; M148-L152 HydrophobicContact CG-CG 4.44Å; M148-L152 WeakPolarHBondContact O-CG 3.31Å; M148-L152 PolarHBondContact O-N 3.09Å; S149-L152 WeakPolarHBondContact O-CB 3.2Å; S149-L152 PolarHBondContact O-N 3.21Å; S149-L152 VanDerWaalsContact O-N 3.15Å; L152-T155 PolarHBondContact O-N 2.95Å; L152-G156 PolarHBondContact O-N 2.81Å
153A90.6Very high86.4Confident0 Ų050.1 Ų50.10%025%0.253CS..Hα-helixtrans-64.8-46.2177.700000112.1W30 L126 S149 L150 W151 T155 G156 L157W30-A153 HydrophobicContact CH2-CB 4.03Å; W30-A153 HydrophobicContact CZ2-CB 4.34Å; L126-A153 HydrophobicContact CD2-CB 3.73Å; S149-A153 PolarHBondContact O-N 2.86Å; L150-A153 PolarHBondContact O-N 3.15Å; W151-A153 VanDerWaalsContact C-N 3.3Å; W151-A153 PolarHBondContact O-N 3.17Å; A153-T155 VanDerWaalsContact C-N 3.31Å; A153-T155 PolarHBondContact O-N 3.34Å; A153-G156 PolarHBondContact O-N 3.44Å; A153-L157 WeakPolarHBondContact O-CB 3.34Å; A153-L157 PolarHBondContact O-N 2.84Å
154F91.5Very high87.9Confident76 Ų7647.7 Ų47.733%0.33324%0.243SC..Hα-helixtrans-61.9-38.9173.8-81.5-61.6000112.8L126 T130 L150 W151 G156 L157 I158L126-F154 HydrophobicContact CD1-CD1 4.08Å; L126-F154 HydrophobicContact CD1-CE1 4.21Å; T130-F154 HydrophobicContact CG2-CZ 4.46Å; L150-F154 HydrophobicContact CD2-CD2 3.58Å; L150-F154 HydrophobicContact CD2-CE2 3.36Å; L150-F154 HydrophobicContact CG-CD2 4.36Å; L150-F154 HydrophobicContact CG-CE2 4.06Å; L150-F154 VanDerWaalsContact O-CD2 3.31Å; L150-F154 WeakPolarHBondContact O-CD2 3.45Å; L150-F154 PolarHBondContact O-N 2.98Å; W151-F154 PolarHBondContact O-N 3.47Å; F154-G156 VanDerWaalsContact C-N 3.34Å; F154-L157 HydrophobicContact CD1-CD2 4.46Å; F154-L157 WeakPolarHBondContact O-CB 3.4Å; F154-L157 PolarHBondContact O-N 2.94Å; F154-I158 VanDerWaalsContact O-CG1 3.3Å; F154-I158 WeakPolarHBondContact O-CG1 3.29Å; F154-I158 PolarHBondContact O-N 2.8Å
155T92.4Very high89.2Confident61 Ų6152.1 Ų52.137%0.37426%0.263SS..Hα-helixtrans-64.8-43.1176.4-53.60000110.3L20 W151 L152 A153 L157 I158 V159L20-T155 HydrophobicContact CD1-CG2 3.84Å; W151-T155 WeakPolarHBondContact O-CB 3.17Å; W151-T155 PolarHBondContact O-N 3.29Å; W151-T155 PolarHBondContact O-OG1 3.33Å; L152-T155 PolarHBondContact O-N 2.95Å; A153-T155 VanDerWaalsContact C-N 3.31Å; A153-T155 PolarHBondContact O-N 3.34Å; T155-L157 VanDerWaalsContact C-N 3.34Å; T155-L157 PolarHBondContact O-N 3.42Å; T155-I158 PolarHBondContact O-N 3.45Å; T155-V159 VanDerWaalsContact O-CG2 3.29Å; T155-V159 WeakPolarHBondContact O-CG2 3.35Å; T155-V159 PolarHBondContact O-N 3.33Å
156G91.4Very high89.9Confident0 Ų048.3 Ų48.30%025%0.248CC..Hα-helixtrans-58.6-42.8174.200000112.9S17 L152 A153 F154 V159 L160S17-G156 WeakPolarHBondContact CB-O 3.46Å; S17-G156 PolarHBondContact OG-O 3.42Å; L152-G156 PolarHBondContact O-N 2.81Å; A153-G156 PolarHBondContact O-N 3.44Å; F154-G156 VanDerWaalsContact C-N 3.34Å; G156-V159 PolarHBondContact O-N 2.95Å; G156-L160 WeakPolarHBondContact O-CB 3.47Å; G156-L160 PolarHBondContact O-N 2.91Å
157L92.1Very high90.4Very high16 Ų1644 Ų448%0.08423%0.227CC..Hα-helixtrans-62.5-46.2175.9-177.389.2000112F119 D122 L123 L126 A153 F154 T155 V159 L160 L161F119-L157 HydrophobicContact CD2-CD1 3.93Å; F119-L157 HydrophobicContact CD2-CG 4.3Å; F119-L157 HydrophobicContact CE2-CD1 3.77Å; F119-L157 HydrophobicContact CE2-CD2 4.41Å; F119-L157 HydrophobicContact CE2-CG 3.82Å; D122-L157 HydrophobicContact CB-CD1 3.84Å; D122-L157 WeakPolarHBondContact OD2-CA 3.25Å; D122-L157 WeakPolarHBondContact OD2-CD1 3.42Å; L123-L157 HydrophobicContact CB-CD1 3.98Å; L123-L157 HydrophobicContact CD1-CD1 4.38Å; L123-L157 HydrophobicContact CD1-CD2 3.96Å; L126-L157 HydrophobicContact CD1-CB 4.08Å; L126-L157 HydrophobicContact CD1-CD1 4.19Å; L126-L157 HydrophobicContact CD1-CD2 4.08Å; L126-L157 HydrophobicContact CD1-CG 4.33Å; A153-L157 WeakPolarHBondContact O-CB 3.34Å; A153-L157 PolarHBondContact O-N 2.84Å; F154-L157 HydrophobicContact CD1-CD2 4.46Å; F154-L157 WeakPolarHBondContact O-CB 3.4Å; F154-L157 PolarHBondContact O-N 2.94Å; T155-L157 VanDerWaalsContact C-N 3.34Å; T155-L157 PolarHBondContact O-N 3.42Å; L157-V159 VanDerWaalsContact C-N 3.33Å; L157-V159 PolarHBondContact O-N 2.8Å; L157-L160 WeakPolarHBondContact O-CB 3.4Å; L157-L160 PolarHBondContact O-N 3.35Å; L157-L161 PolarHBondContact O-N 2.87Å
158I94.2Very high90.8Very high114 Ų11448.1 Ų48.159%0.58525%0.248SC*.Hα-helixtrans-63.5-42.3178.6-68.3165.3000110.4F154 T155 L160 L161 A162F154-I158 VanDerWaalsContact O-CG1 3.3Å; F154-I158 WeakPolarHBondContact O-CG1 3.29Å; F154-I158 PolarHBondContact O-N 2.8Å; T155-I158 PolarHBondContact O-N 3.45Å; I158-L160 VanDerWaalsContact C-N 3.33Å; I158-L161 PolarHBondContact O-N 2.9Å; I158-A162 PolarHBondContact O-N 3.41Å
159V93.9Very high90.8Very high37 Ų3743.7 Ų43.722%0.22423%0.233CC..Hα-helixtrans-61.8-43.3174.7174.80000110.2G13 I16 T155 G156 L157 L161 A162 D163G13-V159 WeakPolarHBondContact O-CG1 3.28Å; I16-V159 HydrophobicContact CB-CG1 4.29Å; I16-V159 HydrophobicContact CG2-CG1 4.15Å; I16-V159 HydrophobicContact CG2-CG2 4.31Å; T155-V159 VanDerWaalsContact O-CG2 3.29Å; T155-V159 WeakPolarHBondContact O-CG2 3.35Å; T155-V159 PolarHBondContact O-N 3.33Å; G156-V159 PolarHBondContact O-N 2.95Å; L157-V159 VanDerWaalsContact C-N 3.33Å; L157-V159 PolarHBondContact O-N 2.8Å; V159-L161 VanDerWaalsContact C-N 3.32Å; V159-L161 PolarHBondContact O-N 2.93Å; V159-A162 PolarHBondContact O-N 3.1Å; V159-D163 VanDerWaalsContact O-CB 3.26Å; V159-D163 WeakPolarHBondContact O-CB 3.33Å; V159-D163 PolarHBondContact O-N 3.2Å
160L92.2Very high90.7Very high1 Ų143.9 Ų43.91%0.00523%0.233CC..Hα-helixtrans-62.8-37.7177.7-167.555.4000112.5L14 S17 A118 F119 D122 G156 L157 I158 D163 T164L14-L160 HydrophobicContact CD2-CD1 3.91Å; S17-L160 WeakPolarHBondContact OG-CB 3.46Å; A118-L160 HydrophobicContact CB-CD2 4.21Å; F119-L160 HydrophobicContact CB-CD2 4.09Å; F119-L160 HydrophobicContact CB-CG 4.18Å; D122-L160 HydrophobicContact CB-CD2 4.29Å; G156-L160 WeakPolarHBondContact O-CB 3.47Å; G156-L160 PolarHBondContact O-N 2.91Å; L157-L160 WeakPolarHBondContact O-CB 3.4Å; L157-L160 PolarHBondContact O-N 3.35Å; I158-L160 VanDerWaalsContact C-N 3.33Å; L160-D163 PolarHBondContact O-N 3.33Å; L160-T164 WeakPolarHBondContact O-CB 3.31Å; L160-T164 PolarHBondContact O-N 3.32Å; L160-T164 PolarHBondContact O-OG1 3.41Å
161L93.4Very high90.6Very high80 Ų8044.2 Ų44.242%0.41924%0.237SC..Hα-helixtrans-64.7-47.9175.3-178.661.5000111.4F119 L157 I158 V159 D163 T164 I165F119-L161 HydrophobicContact CD2-CB 4.06Å; F119-L161 HydrophobicContact CD2-CD1 4.38Å; F119-L161 HydrophobicContact CE1-CD1 4.22Å; F119-L161 HydrophobicContact CE2-CB 3.7Å; F119-L161 HydrophobicContact CE2-CD1 3.93Å; F119-L161 HydrophobicContact CE2-CD2 4.43Å; F119-L161 HydrophobicContact CE2-CG 4.22Å; F119-L161 HydrophobicContact CZ-CB 4.41Å; F119-L161 HydrophobicContact CZ-CD1 3.85Å; F119-L161 HydrophobicContact CZ-CD2 4.45Å; F119-L161 HydrophobicContact CZ-CG 4.46Å; L157-L161 PolarHBondContact O-N 2.87Å; I158-L161 PolarHBondContact O-N 2.9Å; V159-L161 VanDerWaalsContact C-N 3.32Å; V159-L161 PolarHBondContact O-N 2.93Å; L161-D163 VanDerWaalsContact C-N 3.26Å; L161-D163 PolarHBondContact O-N 3.21Å; L161-T164 WeakPolarHBondContact O-CB 3.31Å; L161-T164 PolarHBondContact O-N 2.81Å; L161-I165 PolarHBondContact O-N 3.37Å
162A93.9Very high90.4Very high51 Ų5140.8 Ų40.842%0.42123%0.23SC..Hα-helixtrans-60-41.3175.600000110.9I158 V159 T164 I165 V166I158-A162 PolarHBondContact O-N 3.41Å; V159-A162 PolarHBondContact O-N 3.1Å; A162-T164 VanDerWaalsContact C-N 3.33Å; A162-T164 PolarHBondContact O-N 3.36Å; A162-I165 WeakPolarHBondContact O-CB 3.37Å; A162-I165 PolarHBondContact O-N 3.03Å; A162-I165 VanDerWaalsContact O-N 3.16Å; A162-V166 WeakPolarHBondContact O-CG2 3.45Å; A162-V166 PolarHBondContact O-N 3.28Å
163D91.3Very high90Very high4 Ų440 Ų402%0.02123%0.228CC..Hα-helixtrans-65.5-35.6178-161.964.7000112.6Y10 L14 V159 L160 L161 I165 V166 A167Y10-D163 WeakPolarHBondContact CA-OD1 3.5Å; Y10-D163 WeakPolarHBondContact CD2-OD2 3.35Å; Y10-D163 WeakPolarHBondContact CE2-OD2 3.14Å; L14-D163 VanDerWaalsContact CD2-OD2 3.26Å; L14-D163 WeakPolarHBondContact CD2-OD2 3Å; L14-D163 VanDerWaalsContact CG-OD2 3.24Å; L14-D163 WeakPolarHBondContact CG-OD2 3.32Å; V159-D163 VanDerWaalsContact O-CB 3.26Å; V159-D163 WeakPolarHBondContact O-CB 3.33Å; V159-D163 PolarHBondContact O-N 3.2Å; L160-D163 PolarHBondContact O-N 3.33Å; L161-D163 VanDerWaalsContact C-N 3.26Å; L161-D163 PolarHBondContact O-N 3.21Å; D163-I165 VanDerWaalsContact C-N 3.31Å; D163-I165 PolarHBondContact O-N 3.05Å; D163-V166 CarbonylContact O-C 3.55Å; D163-V166 WeakPolarHBondContact O-CB 3.2Å; D163-V166 PolarHBondContact O-N 3.34Å; D163-V166 VanDerWaalsContact O-N 3.15Å; D163-A167 WeakPolarHBondContact O-CB 3.33Å; D163-A167 PolarHBondContact O-N 3.48Å
164T90.6Very high89.3Confident14 Ų1440.4 Ų40.49%0.08623%0.231CC..Hα-helixtrans-62.1-39172.6-56.90000111.4A116 L160 L161 A162 A167 I168A116-T164 HydrophobicContact CB-CG2 4.1Å; L160-T164 WeakPolarHBondContact O-CB 3.31Å; L160-T164 PolarHBondContact O-N 3.32Å; L160-T164 PolarHBondContact O-OG1 3.41Å; L161-T164 WeakPolarHBondContact O-CB 3.31Å; L161-T164 PolarHBondContact O-N 2.81Å; A162-T164 VanDerWaalsContact C-N 3.33Å; A162-T164 PolarHBondContact O-N 3.36Å; T164-A167 WeakPolarHBondContact O-CB 3.22Å; T164-A167 PolarHBondContact O-N 2.88Å; T164-I168 WeakPolarHBondContact O-CG1 3.42Å; T164-I168 PolarHBondContact O-N 2.71Å
165I91.9Very high88.6Confident113 Ų11342.8 Ų42.858%0.57924%0.244SC*.Hα-helixtrans-64.9-42.3173.8-61.4169.1000110.5L161 A162 D163 A167 I168 G169L161-I165 PolarHBondContact O-N 3.37Å; A162-I165 WeakPolarHBondContact O-CB 3.37Å; A162-I165 PolarHBondContact O-N 3.03Å; A162-I165 VanDerWaalsContact O-N 3.16Å; D163-I165 VanDerWaalsContact C-N 3.31Å; D163-I165 PolarHBondContact O-N 3.05Å; I165-A167 VanDerWaalsContact C-N 3.29Å; I165-A167 PolarHBondContact O-N 3.23Å; I165-I168 PolarHBondContact O-N 3.45Å; I165-G169 PolarHBondContact O-N 2.94Å
166V91.1Very high87.5Confident31 Ų3148 Ų4819%0.18826%0.261CS..Hα-helixtrans-61-39.6174.4176.60000110.8F6 V9 A162 D163 I168 G169 L170F6-V166 HydrophobicContact CD1-CG1 4.22Å; V9-V166 HydrophobicContact CG1-CG1 4.22Å; V9-V166 HydrophobicContact CG1-CG2 4.27Å; A162-V166 WeakPolarHBondContact O-CG2 3.45Å; A162-V166 PolarHBondContact O-N 3.28Å; D163-V166 CarbonylContact O-C 3.55Å; D163-V166 WeakPolarHBondContact O-CB 3.2Å; D163-V166 PolarHBondContact O-N 3.34Å; D163-V166 VanDerWaalsContact O-N 3.15Å; V166-I168 PolarHBondContact O-N 3.02Å; V166-G169 CarbonylContact O-C 3.56Å; V166-G169 PolarHBondContact O-N 3.28Å; V166-L170 HydrophobicContact CG1-CD1 4.47Å; V166-L170 PolarHBondContact O-N 2.78Å
167A88Confident86Confident1 Ų151.5 Ų51.51%0.00829%0.285CS..Hα-helixtrans-63.2-39.8176.800000112.8Y10 P112 D163 T164 I165 L170 A171Y10-A167 HydrophobicContact CD2-CB 3.85Å; Y10-A167 HydrophobicContact CE2-CB 3.47Å; Y10-A167 VanDerWaalsContact CE2-CB 3.47Å; P112-A167 HydrophobicContact CB-CB 3.95Å; D163-A167 WeakPolarHBondContact O-CB 3.33Å; D163-A167 PolarHBondContact O-N 3.48Å; T164-A167 WeakPolarHBondContact O-CB 3.22Å; T164-A167 PolarHBondContact O-N 2.88Å; I165-A167 VanDerWaalsContact C-N 3.29Å; I165-A167 PolarHBondContact O-N 3.23Å; A167-L170 WeakPolarHBondContact O-CB 3.24Å; A167-L170 PolarHBondContact O-N 3.4Å; A167-A171 PolarHBondContact O-N 3.35Å
168I88.4Confident84.3Confident85 Ų8556.2 Ų56.244%0.43632%0.316SS..Hα-helixtrans-64.9-45.1173.7-65.8164.7000109.8P112 T164 I165 V166 L170 A171 L172P112-I168 HydrophobicContact CB-CG1 4.07Å; T164-I168 WeakPolarHBondContact O-CG1 3.42Å; T164-I168 PolarHBondContact O-N 2.71Å; I165-I168 PolarHBondContact O-N 3.45Å; V166-I168 PolarHBondContact O-N 3.02Å; I168-L170 VanDerWaalsContact C-N 3.28Å; I168-L170 PolarHBondContact O-N 3.03Å; I168-A171 PolarHBondContact O-N 3.41Å; I168-L172 HydrophobicContact CG2-CD1 4.03Å; I168-L172 HydrophobicContact CG2-CG 4.45Å; I168-L172 WeakPolarHBondContact O-CG 3.36Å; I168-L172 PolarHBondContact O-N 3.26Å
169G86.6Confident82.2Confident26 Ų2659.1 Ų59.127%0.26835%0.345SS..Hα-helixtrans-58.4-39.9174.300000112.5I165 V166 S173I165-G169 PolarHBondContact O-N 2.94Å; V166-G169 CarbonylContact O-C 3.56Å; V166-G169 PolarHBondContact O-N 3.28Å; G169-S173 VanDerWaalsContact O-CB 3.25Å; G169-S173 WeakPolarHBondContact O-CB 3.14Å; G169-S173 PolarHBondContact O-N 3.08Å; G169-S173 PolarHBondContact O-OG 3.14Å
170L85.9Confident81.6Confident3 Ų360.2 Ų60.22%0.01635%0.351CS..Hα-helixtrans-60-52173.3-85.8169.7000112.1V3 F6 Q7 Y10 V166 A167 I168 L172 S173 S174V3-L170 HydrophobicContact CG1-CD2 4.16Å; F6-L170 HydrophobicContact CB-CD1 4.44Å; F6-L170 HydrophobicContact CB-CD2 3.27Å; F6-L170 HydrophobicContact CB-CG 3.63Å; F6-L170 HydrophobicContact CG-CD2 4.42Å; Q7-L170 HydrophobicContact CB-CD2 4.19Å; Y10-L170 VanDerWaalsContact CB-CD1 3.49Å; Y10-L170 HydrophobicContact CD1-CD1 4.24Å; Y10-L170 HydrophobicContact CD2-CD1 4.18Å; Y10-L170 HydrophobicContact CG-CD1 3.71Å; V166-L170 HydrophobicContact CG1-CD1 4.47Å; V166-L170 PolarHBondContact O-N 2.78Å; A167-L170 WeakPolarHBondContact O-CB 3.24Å; A167-L170 PolarHBondContact O-N 3.4Å; I168-L170 VanDerWaalsContact C-N 3.28Å; I168-L170 PolarHBondContact O-N 3.03Å; L170-L172 VanDerWaalsContact C-N 3.32Å; L170-L172 PolarHBondContact O-N 3.25Å; L170-S173 PolarHBondContact O-N 3.23Å; L170-S173 PolarHBondContact O-OG 3.26Å; L170-S174 PolarHBondContact O-N 3.01Å; L170-S174 PolarHBondContact O-OG 3.48Å
171A84.1Confident81Confident14 Ų1463.3 Ų63.312%0.11637%0.369CS..Hα-helixtrans-63.2-37.4-179.300000112.2P112 A167 I168 S174P112-A171 HydrophobicContact CG-CB 4.03Å; A167-A171 PolarHBondContact O-N 3.35Å; I168-A171 PolarHBondContact O-N 3.41Å; A171-S174 PolarHBondContact O-OG 3.47Å
172L84.6Confident80.3Confident90 Ų9062.4 Ų62.447%0.47137%0.366SS..Hα-helixtrans-69.1-43.5173.4-68.5173.1000111.3I168 L170 S174 Q175 F176I168-L172 HydrophobicContact CG2-CD1 4.03Å; I168-L172 HydrophobicContact CG2-CG 4.45Å; I168-L172 WeakPolarHBondContact O-CG 3.36Å; I168-L172 PolarHBondContact O-N 3.26Å; L170-L172 VanDerWaalsContact C-N 3.32Å; L170-L172 PolarHBondContact O-N 3.25Å; L172-S174 VanDerWaalsContact C-N 3.28Å; L172-S174 PolarHBondContact O-N 3.49Å; L172-Q175 WeakPolarHBondContact O-CB 3.28Å; L172-Q175 PolarHBondContact O-N 2.87Å; L172-F176 WeakPolarHBondContact O-CD2 3.41Å
173S82.5Confident79.5Confident22 Ų2263.1 Ų63.115%0.15436%0.363CS..Hα-helixtrans-64.9-31.4-179.975.10000113.2G169 L170 Q175 F176 C177G169-S173 VanDerWaalsContact O-CB 3.25Å; G169-S173 WeakPolarHBondContact O-CB 3.14Å; G169-S173 PolarHBondContact O-N 3.08Å; G169-S173 PolarHBondContact O-OG 3.14Å; L170-S173 PolarHBondContact O-N 3.23Å; L170-S173 PolarHBondContact O-OG 3.26Å; S173-Q175 VanDerWaalsContact C-N 3.29Å; S173-Q175 PolarHBondContact O-N 2.95Å; S173-F176 PolarHBondContact O-N 3.08Å; S173-C177 PolarHBondContact O-N 3.23Å
174S76.4Confident78.8Confident10 Ų1066.8 Ų66.87%0.0738%0.384CS..Hα-helixtrans-72.8-22.1177.667.70000112.8T108 L170 A171 L172T108-S174 WeakPolarHBondContact OG1-CB 3.42Å; T108-S174 PolarHBondContact OG1-OG 3.23Å; L170-S174 PolarHBondContact O-N 3.01Å; L170-S174 PolarHBondContact O-OG 3.48Å; A171-S174 PolarHBondContact O-OG 3.47Å; L172-S174 VanDerWaalsContact C-N 3.28Å; L172-S174 PolarHBondContact O-N 3.49Å
175Q74.8Confident78Confident126 Ų12670.3 Ų70.359%0.58940%0.404SS*.Hα-helixtrans-72.5-34.6171.7-67.1178.3-4.400112.4L172 S173L172-Q175 WeakPolarHBondContact O-CB 3.28Å; L172-Q175 PolarHBondContact O-N 2.87Å; S173-Q175 VanDerWaalsContact C-N 3.29Å; S173-Q175 PolarHBondContact O-N 2.95Å
176F69.6Low77Confident171 Ų17167.2 Ų67.275%0.7539%0.391SS*.Hα-helixtrans-85.4-13.3-179-68.5-71.6000114.2L172 S173 P178L172-F176 WeakPolarHBondContact O-CD2 3.41Å; S173-F176 PolarHBondContact O-N 3.08Å; F176-P178 VanDerWaalsContact C-CD 3.42Å; F176-P178 WeakPolarHBondContact O-CD 3.46Å
177C61.5Low75.9Confident73 Ų7370 Ų7049%0.49341%0.407SS..  trans-121.176175-75.30000109.8V3 S173 C179V3-C177 HydrophobicContact CG2-CB 4.47Å; S173-C177 PolarHBondContact O-N 3.23Å; C177-C179 PolarHBondContact O-N 3.29Å
178P55.8Low74.9Confident115 Ų11575.8 Ų75.875%0.74744%0.44SS*.  trans-71.288.816431.4-31000107.2F176F176-P178 VanDerWaalsContact C-CD 3.42Å; F176-P178 WeakPolarHBondContact O-CD 3.46Å
179C49.2Very low73.7Confident174 Ų17474.9 Ų74.9100%1.17644%0.441SS*.  trans-76.50155.4-60.80000108.2C177C177-C179 PolarHBondContact O-N 3.29Å

Retrieved 179 of 179 residues in 39.1 ms (Link to these results)

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