A0A096NY97_PAPAN Loading...

Olfactory receptor

AlphaFold DB , UniProt , Accession A0A096NY97, Species PAPAN (Papio anubis, Olive baboon), Gene OR5AR1, Length 292 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
1M65.4Low81.6Confident169 Ų16984.1 Ų84.183%0.83343%0.428SS*.  0-64.80-78.7-64.3-151.900112.4I3 I4 F5M1-I3 PolarHBondContact O-N 2.77Å; M1-I4 WeakPolarHBondContact O-CB 3.4Å; M1-I4 PolarHBondContact O-N 3.3Å; M1-F5 HydrophobicContact CB-CE2 4.43Å; M1-F5 WeakPolarHBondContact O-CD2 3.4Å; M1-F5 PolarHBondContact O-N 3.39Å; M1-F5 VanDerWaalsContact O-N 3.14Å; M1-F5 HydrophobicContact SD-CE2 4.21Å; M1-F5 HydrophobicContact SD-CZ 4.36Å
2Q75.6Confident81.9Confident114 Ų11478.8 Ų78.853%0.53340%0.403SS..Hα-helixtrans-56.8-41.4-176.2-73175.8-18.200114.7I4 F5 F6Q2-I4 VanDerWaalsContact C-N 3.34Å; Q2-I4 PolarHBondContact O-N 2.93Å; Q2-F5 PolarHBondContact O-N 3.04Å; Q2-F6 PolarHBondContact O-N 3.44Å
3I82.4Confident82.2Confident127 Ų12775.9 Ų75.965%0.65138%0.384SS*.Hα-helixtrans-64.3-37.5176.8-61.1172.9000111.8M1 F6 V7M1-I3 PolarHBondContact O-N 2.77Å; I3-F6 WeakPolarHBondContact O-CB 3.45Å; I3-F6 PolarHBondContact O-N 3.36Å; I3-V7 HydrophobicContact CG2-CG2 4.49Å; I3-V7 WeakPolarHBondContact O-CG2 3.37Å; I3-V7 PolarHBondContact O-N 3.5Å
4I82.7Confident82.7Confident107 Ų10776.9 Ų76.955%0.54939%0.391SS..Hα-helixtrans-65.5-45.9178.5-62.2172.6000109.4M1 Q2 V7 V8M1-I4 WeakPolarHBondContact O-CB 3.4Å; M1-I4 PolarHBondContact O-N 3.3Å; Q2-I4 VanDerWaalsContact C-N 3.34Å; Q2-I4 PolarHBondContact O-N 2.93Å; I4-V7 PolarHBondContact O-N 3.48Å; I4-V8 HydrophobicContact CG2-CG2 4.43Å; I4-V8 VanDerWaalsContact O-CG2 3.31Å; I4-V8 WeakPolarHBondContact O-CG2 3.47Å; I4-V8 PolarHBondContact O-N 3.38Å
5F79.6Confident83Confident64 Ų6476.1 Ų76.128%0.28139%0.39SS..Hα-helixtrans-62.3-43175.7-67.5-49.7000112.3M1 Q2 V7 V8 F9 F63 W251M1-F5 HydrophobicContact CB-CE2 4.43Å; M1-F5 WeakPolarHBondContact O-CD2 3.4Å; M1-F5 PolarHBondContact O-N 3.39Å; M1-F5 VanDerWaalsContact O-N 3.14Å; M1-F5 HydrophobicContact SD-CE2 4.21Å; M1-F5 HydrophobicContact SD-CZ 4.36Å; Q2-F5 PolarHBondContact O-N 3.04Å; F5-V7 VanDerWaalsContact C-N 3.35Å; F5-V7 PolarHBondContact O-N 3.12Å; F5-V8 PolarHBondContact O-N 3.22Å; F5-F9 HydrophobicContact CB-CD2 4.22Å; F5-F9 HydrophobicContact CB-CE2 4.22Å; F5-F9 WeakPolarHBondContact O-CB 3.42Å; F5-F9 WeakPolarHBondContact O-CD2 3.5Å; F5-F9 PolarHBondContact O-N 3.22Å; F5-F63 HydrophobicContact CB-CD1 4.27Å; F5-F63 HydrophobicContact CB-CE1 3.91Å; F5-F63 HydrophobicContact CB-CZ 4.1Å; F5-W251 AromaticContact CD1-CH2 3.55Å; F5-W251 HydrophobicContact CD1-CH2 3.55Å; F5-W251 HydrophobicContact CD1-CZ3 4.27Å; F5-W251 HydrophobicContact CD2-CH2 4.41Å; F5-W251 AromaticContact CE1-CH2 3.32Å; F5-W251 HydrophobicContact CE1-CH2 3.32Å; F5-W251 AromaticContact CE1-CZ2 4Å; F5-W251 HydrophobicContact CE1-CZ2 4Å; F5-W251 HydrophobicContact CE1-CZ3 4.15Å; F5-W251 HydrophobicContact CE2-CH2 4.22Å; F5-W251 HydrophobicContact CE2-CZ2 4.31Å; F5-W251 HydrophobicContact CG-CH2 4.11Å; F5-W251 AromaticContact CZ-CH2 3.68Å; F5-W251 HydrophobicContact CZ-CH2 3.68Å; F5-W251 AromaticContact CZ-CZ2 3.87Å; F5-W251 HydrophobicContact CZ-CZ2 3.87Å
6F84.2Confident83.3Confident41 Ų4171.3 Ų71.318%0.1837%0.366CS..Hα-helixtrans-54-51.1173.4173.1-96.8000111.8Q2 I3 V8 F9 L10 L60 F63 L64Q2-F6 PolarHBondContact O-N 3.44Å; I3-F6 WeakPolarHBondContact O-CB 3.45Å; I3-F6 PolarHBondContact O-N 3.36Å; F6-V8 PolarHBondContact O-N 2.99Å; F6-F9 PolarHBondContact O-N 3.25Å; F6-L10 HydrophobicContact CE1-CD2 3.92Å; F6-L10 HydrophobicContact CZ-CD2 4.06Å; F6-L10 WeakPolarHBondContact O-CB 3.39Å; F6-L10 PolarHBondContact O-N 3.03Å; F6-L60 HydrophobicContact CD2-CB 4.27Å; F6-L60 HydrophobicContact CD2-CD2 3.87Å; F6-L60 WeakPolarHBondContact CD2-O 3.24Å; F6-L60 HydrophobicContact CE2-CB 4.02Å; F6-L60 HydrophobicContact CE2-CD2 4.08Å; F6-F63 HydrophobicContact CB-CB 3.92Å; F6-F63 HydrophobicContact CB-CG 4.44Å; F6-F63 HydrophobicContact CD2-CB 4.27Å; F6-L64 HydrophobicContact CB-CD2 4.41Å; F6-L64 HydrophobicContact CD1-CD2 4.14Å; F6-L64 HydrophobicContact CD2-CD1 3.98Å; F6-L64 HydrophobicContact CD2-CD2 3.87Å; F6-L64 HydrophobicContact CD2-CG 3.71Å; F6-L64 HydrophobicContact CE1-CD1 4.4Å; F6-L64 HydrophobicContact CE1-CD2 4.41Å; F6-L64 HydrophobicContact CE2-CD1 3.46Å; F6-L64 VanDerWaalsContact CE2-CD1 3.46Å; F6-L64 HydrophobicContact CE2-CD2 4.16Å; F6-L64 HydrophobicContact CE2-CG 3.75Å; F6-L64 HydrophobicContact CG-CD2 3.86Å; F6-L64 HydrophobicContact CG-CG 4.24Å; F6-L64 HydrophobicContact CZ-CD1 3.71Å; F6-L64 HydrophobicContact CZ-CD2 4.43Å; F6-L64 HydrophobicContact CZ-CG 4.32Å
7V86.3Confident83.7Confident68 Ų6868.8 Ų68.841%0.41236%0.355SS..Hα-helixtrans-62.2-45.3-179.51720000111.2I3 I4 F5 L10 I11I3-V7 HydrophobicContact CG2-CG2 4.49Å; I3-V7 WeakPolarHBondContact O-CG2 3.37Å; I3-V7 PolarHBondContact O-N 3.5Å; I4-V7 PolarHBondContact O-N 3.48Å; F5-V7 VanDerWaalsContact C-N 3.35Å; F5-V7 PolarHBondContact O-N 3.12Å; V7-L10 PolarHBondContact O-N 3.45Å; V7-I11 HydrophobicContact CG1-CD1 3.9Å; V7-I11 VanDerWaalsContact O-CG1 3.29Å; V7-I11 WeakPolarHBondContact O-CG1 3.48Å; V7-I11 PolarHBondContact O-N 3.08Å
8V84.1Confident84Confident73 Ų7370.8 Ų70.844%0.44237%0.37SS..Hα-helixtrans-60.5-51.5178.7170.70000110.7I4 F5 F6 L10 I11 V12I4-V8 HydrophobicContact CG2-CG2 4.43Å; I4-V8 VanDerWaalsContact O-CG2 3.31Å; I4-V8 WeakPolarHBondContact O-CG2 3.47Å; I4-V8 PolarHBondContact O-N 3.38Å; F5-V8 PolarHBondContact O-N 3.22Å; F6-V8 PolarHBondContact O-N 2.99Å; V8-L10 VanDerWaalsContact C-N 3.31Å; V8-L10 PolarHBondContact O-N 3.43Å; V8-I11 PolarHBondContact O-N 3.36Å; V8-V12 VanDerWaalsContact O-CG2 3.32Å; V8-V12 WeakPolarHBondContact O-CG2 3.48Å; V8-V12 PolarHBondContact O-N 3.06Å
9F82.2Confident84.3Confident8 Ų868.4 Ų68.44%0.03536%0.364CS..Hα-helixtrans-66.9-32.5-179.6-74.5-56.4000113.5F5 F6 V12 Y13 M59 L60 F63 W251 V254F5-F9 HydrophobicContact CB-CD2 4.22Å; F5-F9 HydrophobicContact CB-CE2 4.22Å; F5-F9 WeakPolarHBondContact O-CB 3.42Å; F5-F9 WeakPolarHBondContact O-CD2 3.5Å; F5-F9 PolarHBondContact O-N 3.22Å; F6-F9 PolarHBondContact O-N 3.25Å; F9-V12 PolarHBondContact O-N 3.36Å; F9-Y13 WeakPolarHBondContact O-CB 3.4Å; F9-Y13 PolarHBondContact O-N 2.98Å; F9-M59 HydrophobicContact CB-CE 3.7Å; F9-M59 HydrophobicContact CD1-CE 3.72Å; F9-M59 HydrophobicContact CD2-CE 4.06Å; F9-M59 HydrophobicContact CE1-CE 4.43Å; F9-M59 HydrophobicContact CG-CE 3.54Å; F9-L60 HydrophobicContact CB-CD2 3.65Å; F9-F63 HydrophobicContact CD2-CD2 4.42Å; F9-F63 AromaticContact CD2-CE2 3.43Å; F9-F63 HydrophobicContact CD2-CE2 3.43Å; F9-F63 VanDerWaalsContact CD2-CE2 3.43Å; F9-F63 AromaticContact CD2-CZ 3.69Å; F9-F63 HydrophobicContact CD2-CZ 3.69Å; F9-F63 AromaticContact CE2-CE2 3.99Å; F9-F63 HydrophobicContact CE2-CE2 3.99Å; F9-F63 AromaticContact CE2-CZ 3.77Å; F9-F63 HydrophobicContact CE2-CZ 3.77Å; F9-F63 HydrophobicContact CG-CE2 4.28Å; F9-W251 HydrophobicContact CE2-CH2 4.22Å; F9-W251 AromaticContact CE2-CZ3 3.86Å; F9-W251 HydrophobicContact CE2-CZ3 3.86Å; F9-W251 HydrophobicContact CZ-CE3 4.23Å; F9-W251 HydrophobicContact CZ-CH2 4.34Å; F9-W251 AromaticContact CZ-CZ3 3.54Å; F9-W251 HydrophobicContact CZ-CZ3 3.54Å; F9-V254 HydrophobicContact CD1-CG1 4.08Å; F9-V254 HydrophobicContact CE1-CB 4.36Å; F9-V254 HydrophobicContact CE1-CG1 3.07Å; F9-V254 HydrophobicContact CE1-CG2 4.45Å; F9-V254 HydrophobicContact CZ-CB 4.45Å; F9-V254 HydrophobicContact CZ-CG1 3.45Å; F9-V254 VanDerWaalsContact CZ-CG1 3.45Å; F9-V254 HydrophobicContact CZ-CG2 4.28Å
10L87.8Confident84.7Confident56 Ų5665 Ų6529%0.29335%0.346SS..Hα-helixtrans-64-45.9174.717964.7000110.2F6 V7 V8 Y13 L14 L60F6-L10 HydrophobicContact CE1-CD2 3.92Å; F6-L10 HydrophobicContact CZ-CD2 4.06Å; F6-L10 WeakPolarHBondContact O-CB 3.39Å; F6-L10 PolarHBondContact O-N 3.03Å; V7-L10 PolarHBondContact O-N 3.45Å; V8-L10 VanDerWaalsContact C-N 3.31Å; V8-L10 PolarHBondContact O-N 3.43Å; L10-Y13 PolarHBondContact O-N 3.02Å; L10-L14 HydrophobicContact CD1-CD1 4.24Å; L10-L14 HydrophobicContact CD1-CG 4.26Å; L10-L14 HydrophobicContact CG-CD1 4.05Å; L10-L14 HydrophobicContact CG-CG 4.45Å; L10-L14 WeakPolarHBondContact O-CB 3.31Å; L10-L14 VanDerWaalsContact O-CG 3.25Å; L10-L14 WeakPolarHBondContact O-CG 3.5Å; L10-L14 PolarHBondContact O-N 3.24Å; L10-L60 HydrophobicContact CB-CD2 4.07Å; L10-L60 HydrophobicContact CD1-CD1 4Å
11I87.3Confident85Confident98 Ų9865.5 Ų65.550%0.50335%0.348SS..Hα-helixtrans-60.5-47.8176.5-68.7165.8000110.3V7 V8 Y13 L14 V15V7-I11 HydrophobicContact CG1-CD1 3.9Å; V7-I11 VanDerWaalsContact O-CG1 3.29Å; V7-I11 WeakPolarHBondContact O-CG1 3.48Å; V7-I11 PolarHBondContact O-N 3.08Å; V8-I11 PolarHBondContact O-N 3.36Å; I11-Y13 VanDerWaalsContact C-N 3.34Å; I11-Y13 PolarHBondContact O-N 2.83Å; I11-L14 PolarHBondContact O-N 2.91Å; I11-V15 HydrophobicContact CG2-CG2 4.31Å; I11-V15 VanDerWaalsContact O-CG2 3.27Å; I11-V15 WeakPolarHBondContact O-CG2 3.46Å; I11-V15 PolarHBondContact O-N 3.47Å
12V85.1Confident86.2Confident20 Ų2058.7 Ų58.712%0.12132%0.321CS..Hα-helixtrans-58.5-46.5178.3176.60000110.7V8 F9 V15 N16 I258 I259 M262V8-V12 VanDerWaalsContact O-CG2 3.32Å; V8-V12 WeakPolarHBondContact O-CG2 3.48Å; V8-V12 PolarHBondContact O-N 3.06Å; F9-V12 PolarHBondContact O-N 3.36Å; V12-V15 PolarHBondContact O-N 2.9Å; V12-N16 WeakPolarHBondContact O-CB 3.43Å; V12-N16 PolarHBondContact O-N 3.25Å; V12-I258 HydrophobicContact CB-CG2 4.38Å; V12-I258 HydrophobicContact CG1-CG2 3.5Å; V12-I258 VanDerWaalsContact CG1-CG2 3.5Å; V12-I259 HydrophobicContact CG1-CG1 4.29Å; V12-M262 HydrophobicContact CB-SD 4.22Å; V12-M262 HydrophobicContact CG1-CB 4.41Å; V12-M262 HydrophobicContact CG1-CG 4.47Å; V12-M262 HydrophobicContact CG1-SD 3.64Å; V12-M262 HydrophobicContact CG2-SD 4.36Å
13Y86.6Confident86.9Confident42 Ų4253.6 Ų53.617%0.16530%0.298CS..Hα-helixtrans-62.5-44.4177.8177.3-117000112.3F9 L10 I11 V15 N16 V17 S53 A56 L60F9-Y13 WeakPolarHBondContact O-CB 3.4Å; F9-Y13 PolarHBondContact O-N 2.98Å; L10-Y13 PolarHBondContact O-N 3.02Å; I11-Y13 VanDerWaalsContact C-N 3.34Å; I11-Y13 PolarHBondContact O-N 2.83Å; Y13-V15 PolarHBondContact O-N 3.4Å; Y13-N16 WeakPolarHBondContact O-CB 3.28Å; Y13-N16 PolarHBondContact O-N 3.16Å; Y13-V17 HydrophobicContact CD1-CG2 4.44Å; Y13-V17 HydrophobicContact CD2-CG2 4Å; Y13-V17 HydrophobicContact CE1-CG2 4.01Å; Y13-V17 HydrophobicContact CE2-CG2 3.52Å; Y13-V17 HydrophobicContact CG-CG2 4.44Å; Y13-V17 WeakPolarHBondContact O-CG2 3.26Å; Y13-V17 PolarHBondContact O-N 3.5Å; Y13-S53 PolarHBondContact OH-OG 3.01Å; Y13-A56 HydrophobicContact CD2-CB 3.42Å; Y13-A56 VanDerWaalsContact CD2-CB 3.42Å; Y13-A56 HydrophobicContact CE2-CB 3.9Å; Y13-A56 HydrophobicContact CG-CB 3.88Å; Y13-L60 HydrophobicContact CD1-CD1 4.22Å; Y13-L60 HydrophobicContact CG-CD1 4.5Å
14L89.3Confident87.4Confident90 Ų9049.1 Ų49.147%0.47127%0.274SS..Hα-helixtrans-63.7-41.8177.6-70.6173.9000111.9L10 I11 N16 V17 V18L10-L14 HydrophobicContact CD1-CD1 4.24Å; L10-L14 HydrophobicContact CD1-CG 4.26Å; L10-L14 HydrophobicContact CG-CD1 4.05Å; L10-L14 HydrophobicContact CG-CG 4.45Å; L10-L14 WeakPolarHBondContact O-CB 3.31Å; L10-L14 VanDerWaalsContact O-CG 3.25Å; L10-L14 WeakPolarHBondContact O-CG 3.5Å; L10-L14 PolarHBondContact O-N 3.24Å; I11-L14 PolarHBondContact O-N 2.91Å; L14-N16 VanDerWaalsContact C-N 3.32Å; L14-N16 PolarHBondContact O-N 3.34Å; L14-V17 PolarHBondContact O-N 3.48Å; L14-V18 WeakPolarHBondContact O-CB 3.46Å; L14-V18 VanDerWaalsContact O-CG2 3.23Å; L14-V18 WeakPolarHBondContact O-CG2 3.42Å; L14-V18 PolarHBondContact O-N 2.91Å
15V87.1Confident87.8Confident64 Ų6448 Ų4839%0.38827%0.268SS..Hα-helixtrans-62.3-42.9175.5172.80000110.6I11 V12 Y13 G19 M262I11-V15 HydrophobicContact CG2-CG2 4.31Å; I11-V15 VanDerWaalsContact O-CG2 3.27Å; I11-V15 WeakPolarHBondContact O-CG2 3.46Å; I11-V15 PolarHBondContact O-N 3.47Å; V12-V15 PolarHBondContact O-N 2.9Å; Y13-V15 PolarHBondContact O-N 3.4Å; V15-G19 WeakPolarHBondContact O-CA 3.33Å; V15-G19 PolarHBondContact O-N 2.95Å; V15-M262 HydrophobicContact CB-CG 4.11Å; V15-M262 HydrophobicContact CB-SD 4.14Å; V15-M262 HydrophobicContact CG1-CG 3.66Å; V15-M262 HydrophobicContact CG1-SD 3.94Å
16N86.7Confident88.2Confident0 Ų045.4 Ų45.40%026%0.258CS..Hα-helixtrans-59.8-51.6175.7-178.613.7000111.5V12 Y13 L14 G19 N20 S52 P261 M262V12-N16 WeakPolarHBondContact O-CB 3.43Å; V12-N16 PolarHBondContact O-N 3.25Å; Y13-N16 WeakPolarHBondContact O-CB 3.28Å; Y13-N16 PolarHBondContact O-N 3.16Å; L14-N16 VanDerWaalsContact C-N 3.32Å; L14-N16 PolarHBondContact O-N 3.34Å; N16-G19 PolarHBondContact O-N 3.44Å; N16-N20 WeakPolarHBondContact O-CB 2.88Å; N16-N20 PolarHBondContact O-N 3.12Å; N16-N20 PolarHBondContact O-ND2 3.22Å; N16-N20 PolarHBondContact OD1-ND2 3.45Å; N16-S52 WeakPolarHBondContact ND2-CB 3.44Å; N16-S52 PolarHBondContact ND2-OG 2.96Å; N16-P261 PolarHBondContact OD1-O 2.67Å; N16-M262 HydrophobicContact CB-CB 3.96Å; N16-M262 HydrophobicContact CB-CG 4.29Å
17V90.2Very high88.5Confident29 Ų2943.9 Ų43.918%0.17625%0.251CS..Hα-helixtrans-60.1-50.9179.71710000111.4Y13 L14 G19 I21 L49Y13-V17 HydrophobicContact CD1-CG2 4.44Å; Y13-V17 HydrophobicContact CD2-CG2 4Å; Y13-V17 HydrophobicContact CE1-CG2 4.01Å; Y13-V17 HydrophobicContact CE2-CG2 3.52Å; Y13-V17 HydrophobicContact CG-CG2 4.44Å; Y13-V17 WeakPolarHBondContact O-CG2 3.26Å; Y13-V17 PolarHBondContact O-N 3.5Å; L14-V17 PolarHBondContact O-N 3.48Å; V17-G19 VanDerWaalsContact C-N 3.34Å; V17-G19 PolarHBondContact O-N 2.92Å; V17-I21 HydrophobicContact CG1-CD1 3.57Å; V17-I21 HydrophobicContact CG1-CG1 4.38Å; V17-I21 VanDerWaalsContact O-CB 3.28Å; V17-I21 WeakPolarHBondContact O-CB 3.28Å; V17-I21 VanDerWaalsContact O-CG1 3.25Å; V17-I21 WeakPolarHBondContact O-CG1 3.02Å; V17-I21 PolarHBondContact O-N 3.2Å; V17-L49 HydrophobicContact CB-CD2 4.31Å; V17-L49 HydrophobicContact CG1-CD2 4.45Å; V17-L49 HydrophobicContact CG2-CD2 4.19Å
18V90.5Very high88.7Confident105 Ų10545.9 Ų45.964%0.63626%0.258SS*.Hα-helixtrans-64-41.3180172.10000111.1L14 G22L14-V18 WeakPolarHBondContact O-CB 3.46Å; L14-V18 VanDerWaalsContact O-CG2 3.23Å; L14-V18 WeakPolarHBondContact O-CG2 3.42Å; L14-V18 PolarHBondContact O-N 2.91Å; V18-G22 WeakPolarHBondContact O-CA 3.45Å; V18-G22 PolarHBondContact O-N 3.46Å
19G88.9Confident88.9Confident24 Ų2446.2 Ų46.225%0.24726%0.261CS..Hα-helixtrans-62.1-52.5178.800000112.1V15 N16 V17 G22 M23V15-G19 WeakPolarHBondContact O-CA 3.33Å; V15-G19 PolarHBondContact O-N 2.95Å; N16-G19 PolarHBondContact O-N 3.44Å; V17-G19 VanDerWaalsContact C-N 3.34Å; V17-G19 PolarHBondContact O-N 2.92Å; G19-G22 PolarHBondContact O-N 3.28Å; G19-M23 VanDerWaalsContact O-CG 3.31Å; G19-M23 WeakPolarHBondContact O-CG 3.25Å; G19-M23 PolarHBondContact O-N 2.91Å
20N91.4Very high89.2Confident0 Ų046.2 Ų46.20%026%0.261CS..Hα-helixtrans-71.1-41.6-177.5-82.3-57.7000112.8N16 G22 M23 I24 S45 L49 P261 P265N16-N20 WeakPolarHBondContact O-CB 2.88Å; N16-N20 PolarHBondContact O-N 3.12Å; N16-N20 PolarHBondContact O-ND2 3.22Å; N16-N20 PolarHBondContact OD1-ND2 3.45Å; N20-G22 VanDerWaalsContact C-N 3.33Å; N20-G22 PolarHBondContact O-N 3.45Å; N20-M23 PolarHBondContact O-N 2.68Å; N20-I24 VanDerWaalsContact O-CG1 3.31Å; N20-I24 WeakPolarHBondContact O-CG1 3.41Å; N20-I24 PolarHBondContact O-N 3.43Å; N20-S45 WeakPolarHBondContact OD1-CA 3.49Å; N20-S45 WeakPolarHBondContact OD1-CB 3.29Å; N20-S45 PolarHBondContact OD1-OG 3.03Å; N20-L49 HydrophobicContact CB-CD1 3.99Å; N20-L49 HydrophobicContact CB-CD2 3.78Å; N20-L49 HydrophobicContact CB-CG 3.61Å; N20-P261 PolarHBondContact ND2-O 3Å; N20-P265 HydrophobicContact CB-CG 4.34Å; N20-P265 VanDerWaalsContact CG-CG 3.44Å; N20-P265 WeakPolarHBondContact ND2-CG 3.4Å; N20-P265 WeakPolarHBondContact OD1-CG 3.38Å
21I92.7Very high89.1Confident77 Ų7748.5 Ų48.540%0.39528%0.278SS..Hα-helixtrans-62.4-43.3172.4-67.5176.1000110.5V17 M23 I24 I25 L49V17-I21 HydrophobicContact CG1-CD1 3.57Å; V17-I21 HydrophobicContact CG1-CG1 4.38Å; V17-I21 VanDerWaalsContact O-CB 3.28Å; V17-I21 WeakPolarHBondContact O-CB 3.28Å; V17-I21 VanDerWaalsContact O-CG1 3.25Å; V17-I21 WeakPolarHBondContact O-CG1 3.02Å; V17-I21 PolarHBondContact O-N 3.2Å; I21-M23 VanDerWaalsContact C-N 3.32Å; I21-M23 PolarHBondContact O-N 3.48Å; I21-I24 PolarHBondContact O-N 2.93Å; I21-I25 HydrophobicContact CG2-CD1 3.68Å; I21-I25 HydrophobicContact CG2-CG1 4.26Å; I21-I25 WeakPolarHBondContact O-CG1 3.49Å; I21-I25 PolarHBondContact O-N 3.36Å; I21-L49 HydrophobicContact CG1-CD1 3.76Å; I21-L49 HydrophobicContact CG1-CD2 4.26Å
22G90.6Very high89Confident26 Ų2650.4 Ų50.427%0.26828%0.284SS..Hα-helixtrans-58.7-43.3176.900000112.3V18 G19 N20 I25 L26V18-G22 WeakPolarHBondContact O-CA 3.45Å; V18-G22 PolarHBondContact O-N 3.46Å; G19-G22 PolarHBondContact O-N 3.28Å; N20-G22 VanDerWaalsContact C-N 3.33Å; N20-G22 PolarHBondContact O-N 3.45Å; G22-I25 PolarHBondContact O-N 2.95Å; G22-L26 WeakPolarHBondContact O-CB 3.48Å; G22-L26 VanDerWaalsContact O-CG 3.25Å; G22-L26 WeakPolarHBondContact O-CG 3.39Å; G22-L26 PolarHBondContact O-N 2.91Å
23M89.8Confident89Confident7 Ų749.5 Ų49.53%0.03428%0.279CS..Hα-helixtrans-62.2-46.2175.2-75.4-58.6-60.700112.2G19 N20 I21 I25 L26 I27 L41 P265 V275G19-M23 VanDerWaalsContact O-CG 3.31Å; G19-M23 WeakPolarHBondContact O-CG 3.25Å; G19-M23 PolarHBondContact O-N 2.91Å; N20-M23 PolarHBondContact O-N 2.68Å; I21-M23 VanDerWaalsContact C-N 3.32Å; I21-M23 PolarHBondContact O-N 3.48Å; M23-I25 PolarHBondContact O-N 3.46Å; M23-L26 PolarHBondContact O-N 3.4Å; M23-L26 HydrophobicContact SD-CD1 4.41Å; M23-I27 HydrophobicContact CE-CD1 4.27Å; M23-I27 WeakPolarHBondContact O-CD1 3.27Å; M23-I27 VanDerWaalsContact O-CG1 3.26Å; M23-I27 WeakPolarHBondContact O-CG1 3.43Å; M23-I27 PolarHBondContact O-N 3.21Å; M23-L41 HydrophobicContact CE-CD2 3.49Å; M23-L41 VanDerWaalsContact CE-CD2 3.49Å; M23-L41 HydrophobicContact CE-CG 4.23Å; M23-P265 HydrophobicContact CG-CB 3.9Å; M23-P265 HydrophobicContact CG-CG 4.47Å; M23-V275 HydrophobicContact CE-CG1 4.05Å; M23-V275 HydrophobicContact CE-CG2 4.32Å; M23-V275 HydrophobicContact SD-CG1 3.82Å
24I92.4Very high89.1Confident32 Ų3253 Ų5316%0.16430%0.296CS..Hα-helixtrans-57.9-49.8175.9-68.2166000110.4N20 I21 L26 I27 I28 F46 L49N20-I24 VanDerWaalsContact O-CG1 3.31Å; N20-I24 WeakPolarHBondContact O-CG1 3.41Å; N20-I24 PolarHBondContact O-N 3.43Å; I21-I24 PolarHBondContact O-N 2.93Å; I24-L26 PolarHBondContact O-N 3.46Å; I24-I27 PolarHBondContact O-N 2.89Å; I24-I28 HydrophobicContact CG2-CD1 3.57Å; I24-I28 HydrophobicContact CG2-CG1 4.43Å; I24-I28 WeakPolarHBondContact O-CB 3.41Å; I24-I28 VanDerWaalsContact O-CG1 3.28Å; I24-I28 WeakPolarHBondContact O-CG1 3.42Å; I24-I28 PolarHBondContact O-N 3.3Å; I24-F46 HydrophobicContact CD1-CB 4.41Å; I24-L49 HydrophobicContact CD1-CD1 3.83Å
25I90.9Very high89.1Confident83 Ų8351.3 Ų51.343%0.42629%0.29SS..Hα-helixtrans-60.2-45.5179-69171.3000110.8I21 G22 M23 I27 I28 T29I21-I25 HydrophobicContact CG2-CD1 3.68Å; I21-I25 HydrophobicContact CG2-CG1 4.26Å; I21-I25 WeakPolarHBondContact O-CG1 3.49Å; I21-I25 PolarHBondContact O-N 3.36Å; G22-I25 PolarHBondContact O-N 2.95Å; M23-I25 PolarHBondContact O-N 3.46Å; I25-I27 PolarHBondContact O-N 3.43Å; I25-I28 PolarHBondContact O-N 3.41Å; I25-T29 HydrophobicContact CG2-CG2 4.13Å; I25-T29 VanDerWaalsContact O-CB 3.31Å; I25-T29 WeakPolarHBondContact O-CB 3.41Å; I25-T29 VanDerWaalsContact O-CG2 3.26Å; I25-T29 WeakPolarHBondContact O-CG2 3.23Å; I25-T29 PolarHBondContact O-N 3.07Å; I25-T29 PolarHBondContact O-OG1 2.88Å
26L89.3Confident89.3Confident10 Ų1049.6 Ų49.65%0.05228%0.281CS..Hα-helixtrans-59.5-46.3179.1-77.4168.6000111.8G22 M23 I24 T29 D30 L33 V275 A278 F279 L282G22-L26 WeakPolarHBondContact O-CB 3.48Å; G22-L26 VanDerWaalsContact O-CG 3.25Å; G22-L26 WeakPolarHBondContact O-CG 3.39Å; G22-L26 PolarHBondContact O-N 2.91Å; M23-L26 PolarHBondContact O-N 3.4Å; M23-L26 HydrophobicContact SD-CD1 4.41Å; I24-L26 PolarHBondContact O-N 3.46Å; L26-T29 PolarHBondContact O-N 2.83Å; L26-T29 PolarHBondContact O-OG1 3.26Å; L26-D30 WeakPolarHBondContact O-CB 3.32Å; L26-D30 PolarHBondContact O-N 3.31Å; L26-L33 HydrophobicContact CB-CD1 4.31Å; L26-V275 HydrophobicContact CD1-CG1 4.4Å; L26-A278 HydrophobicContact CD2-CB 4.5Å; L26-F279 HydrophobicContact CD1-CB 4.27Å; L26-F279 HydrophobicContact CD1-CD2 4.01Å; L26-F279 HydrophobicContact CD2-CB 4.2Å; L26-F279 HydrophobicContact CD2-CD2 4.2Å; L26-L282 HydrophobicContact CD2-CB 4.17Å; L26-L282 HydrophobicContact CD2-CD2 3.74Å
27I89.9Confident89.5Confident10 Ų1049.8 Ų49.85%0.05128%0.282CS..Hα-helixtrans-67-41.6-178.3-65.6160.9000110.7M23 I24 I25 L33 H34 Y38 L41 C42M23-I27 HydrophobicContact CE-CD1 4.27Å; M23-I27 WeakPolarHBondContact O-CD1 3.27Å; M23-I27 VanDerWaalsContact O-CG1 3.26Å; M23-I27 WeakPolarHBondContact O-CG1 3.43Å; M23-I27 PolarHBondContact O-N 3.21Å; I24-I27 PolarHBondContact O-N 2.89Å; I25-I27 PolarHBondContact O-N 3.43Å; I27-L33 HydrophobicContact CG1-CD1 4.26Å; I27-H34 PolarHBondContact O-CD2 2.96Å; I27-H34 PolarHBondContact O-NE2 3.31Å; I27-Y38 WeakPolarHBondContact CD1-O 3.16Å; I27-L41 HydrophobicContact CD1-CB 4.36Å; I27-L41 HydrophobicContact CD1-CD2 4.41Å; I27-L41 HydrophobicContact CD1-CG 4.36Å; I27-C42 HydrophobicContact CB-CB 4.48Å; I27-C42 HydrophobicContact CD1-CB 3.89Å; I27-C42 HydrophobicContact CG2-CB 4.13Å
28I90.7Very high89.5Confident109 Ų10949 Ų4956%0.55928%0.275SS*.Hα-helixtrans-68-39.9179.2-66.5170.6000111I24 I25 H34I24-I28 HydrophobicContact CG2-CD1 3.57Å; I24-I28 HydrophobicContact CG2-CG1 4.43Å; I24-I28 WeakPolarHBondContact O-CB 3.41Å; I24-I28 VanDerWaalsContact O-CG1 3.28Å; I24-I28 WeakPolarHBondContact O-CG1 3.42Å; I24-I28 PolarHBondContact O-N 3.3Å; I25-I28 PolarHBondContact O-N 3.41Å; I28-H34 PolarHBondContact O-NE2 2.97Å
29T88Confident89.6Confident81 Ų8147.3 Ų47.350%0.49726%0.26SS..Hα-helixtrans-86.2-28.6-172.357.60000114.8I25 L26I25-T29 HydrophobicContact CG2-CG2 4.13Å; I25-T29 VanDerWaalsContact O-CB 3.31Å; I25-T29 WeakPolarHBondContact O-CB 3.41Å; I25-T29 VanDerWaalsContact O-CG2 3.26Å; I25-T29 WeakPolarHBondContact O-CG2 3.23Å; I25-T29 PolarHBondContact O-N 3.07Å; I25-T29 PolarHBondContact O-OG1 2.88Å; L26-T29 PolarHBondContact O-N 2.83Å; L26-T29 PolarHBondContact O-OG1 3.26Å
30D87.6Confident89.9Confident7 Ų746.1 Ų46.14%0.03725%0.248CC..  trans-100109.9177.6-156.3-43000111.9L26 Q32 L33 H34 A278 K281L26-D30 WeakPolarHBondContact O-CB 3.32Å; L26-D30 PolarHBondContact O-N 3.31Å; D30-Q32 PolarHBondContact O-N 3.36Å; D30-Q32 VanDerWaalsContact O-N 3.12Å; D30-Q32 VanDerWaalsContact OD1-CB 3.28Å; D30-Q32 WeakPolarHBondContact OD1-CB 3.31Å; D30-Q32 WeakPolarHBondContact OD1-CG 3.05Å; D30-Q32 PolarHBondContact OD1-N 2.98Å; D30-L33 HydrophobicContact CB-CD1 4.26Å; D30-L33 HydrophobicContact CB-CG 4.28Å; D30-L33 WeakPolarHBondContact O-CB 3.46Å; D30-L33 PolarHBondContact O-N 2.96Å; D30-H34 PolarHBondContact O-CD2 2.94Å; D30-A278 HydrophobicContact CB-CB 4.03Å; D30-K281 VanDerWaalsContact CG-NZ 3.34Å; D30-K281 IonicContact OD1-NZ 3.16Å; D30-K281 PolarHBondContact OD1-NZ 2.89Å; D30-K281 VanDerWaalsContact OD1-NZ 3.16Å; D30-K281 WeakPolarHBondContact OD2-CD 3.1Å; D30-K281 IonicContact OD2-NZ 2.83Å; D30-K281 PolarHBondContact OD2-NZ 2.99Å
31T86.3Confident89.9Confident105 Ų10546.4 Ų46.464%0.64425%0.249SC*.G310 helixtrans-60.9-21.4177.958.70000113.5L33 H34T31-L33 PolarHBondContact O-N 3.4Å; T31-H34 WeakPolarHBondContact O-CB 3.42Å; T31-H34 PolarHBondContact O-N 3.46Å
32Q85.4Confident89.9Confident137 Ų13743.9 Ų43.964%0.6424%0.238SC*.G310 helixtrans-68.4-21.4174.6-62.4-175.14.200112.3D30D30-Q32 PolarHBondContact O-N 3.36Å; D30-Q32 VanDerWaalsContact O-N 3.12Å; D30-Q32 VanDerWaalsContact OD1-CB 3.28Å; D30-Q32 WeakPolarHBondContact OD1-CB 3.31Å; D30-Q32 WeakPolarHBondContact OD1-CG 3.05Å; D30-Q32 PolarHBondContact OD1-N 2.98Å
33L85.3Confident90.1Very high2 Ų244 Ų441%0.0123%0.233CC..G310 helixtrans-91.44.1175.7-60.3178.7000112.4L26 I27 D30 T31 T35 Y38 D274 A278L26-L33 HydrophobicContact CB-CD1 4.31Å; I27-L33 HydrophobicContact CG1-CD1 4.26Å; D30-L33 HydrophobicContact CB-CD1 4.26Å; D30-L33 HydrophobicContact CB-CG 4.28Å; D30-L33 WeakPolarHBondContact O-CB 3.46Å; D30-L33 PolarHBondContact O-N 2.96Å; T31-L33 PolarHBondContact O-N 3.4Å; L33-T35 PolarHBondContact O-N 3.49Å; L33-Y38 HydrophobicContact CB-CD2 3.98Å; L33-Y38 HydrophobicContact CB-CG 4.21Å; L33-Y38 HydrophobicContact CD2-CD1 4.32Å; L33-Y38 HydrophobicContact CD2-CD2 3.83Å; L33-Y38 HydrophobicContact CD2-CE1 4.05Å; L33-Y38 HydrophobicContact CD2-CE2 3.53Å; L33-Y38 HydrophobicContact CD2-CG 4.26Å; L33-Y38 WeakPolarHBondContact O-CB 3.48Å; L33-Y38 VanDerWaalsContact O-CD2 3.29Å; L33-Y38 WeakPolarHBondContact O-CD2 3.4Å; L33-D274 HydrophobicContact CD2-CB 4.03Å; L33-A278 HydrophobicContact CD1-CB 3.66Å; L33-A278 HydrophobicContact CG-CB 4.14Å
34H87.6Confident90.3Very high114 Ų11443.7 Ų43.753%0.52823%0.231SC..  trans-79.457.6179.3-68-176.6000112.2I27 I28 D30 T31I27-H34 PolarHBondContact O-CD2 2.96Å; I27-H34 PolarHBondContact O-NE2 3.31Å; I28-H34 PolarHBondContact O-NE2 2.97Å; D30-H34 PolarHBondContact O-CD2 2.94Å; T31-H34 WeakPolarHBondContact O-CB 3.42Å; T31-H34 PolarHBondContact O-N 3.46Å
35T89.3Confident90.3Very high55 Ų5542.2 Ų42.234%0.33722%0.224SC..SBendtrans-111.7158.317574.30000110.9L33 M37 Y38 F39L33-T35 PolarHBondContact O-N 3.49Å; T35-M37 VanDerWaalsContact C-N 3.34Å; T35-M37 PolarHBondContact O-N 3.4Å; T35-Y38 HydrophobicContact CG2-CD2 4.31Å; T35-Y38 PolarHBondContact O-N 3.02Å; T35-Y38 VanDerWaalsContact O-N 3.15Å; T35-Y38 WeakPolarHBondContact OG1-CD2 3.42Å; T35-F39 PolarHBondContact O-N 3.4Å
36P91.4Very high90.4Very high29 Ų2943.5 Ų43.519%0.18823%0.226CC..Hα-helixtrans-50.2-47.3178.2-33.940.3000114.6Y38 F39 F40 D99 Y110 I114P36-Y38 PolarHBondContact O-N 3.48Å; P36-F39 WeakPolarHBondContact O-CB 3.02Å; P36-F39 PolarHBondContact O-N 3.5Å; P36-F40 HydrophobicContact CB-CE2 4.46Å; P36-F40 WeakPolarHBondContact O-CD2 3.25Å; P36-F40 PolarHBondContact O-N 3.34Å; P36-D99 WeakPolarHBondContact CB-OD1 3.36Å; P36-Y110 WeakPolarHBondContact CG-OH 3.34Å; P36-I114 HydrophobicContact CB-CG2 3.55Å; P36-I114 HydrophobicContact CG-CG2 3.65Å
37M91Very high90.6Very high4 Ų443 Ų432%0.0222%0.224CC..Hα-helixtrans-56.8-48.3177.3179.879.5176.200112.5T35 F39 F40 L41 M96 R100 Y268T35-M37 VanDerWaalsContact C-N 3.34Å; T35-M37 PolarHBondContact O-N 3.4Å; M37-F39 VanDerWaalsContact C-N 3.28Å; M37-F39 PolarHBondContact O-N 2.88Å; M37-F40 PolarHBondContact O-N 3.47Å; M37-L41 PolarHBondContact O-N 2.85Å; M37-M96 HydrophobicContact CE-CE 3.29Å; M37-M96 HydrophobicContact SD-CB 4.28Å; M37-M96 HydrophobicContact SD-CE 4.03Å; M37-M96 HydrophobicContact SD-CG 4.37Å; M37-R100 HydrophobicContact SD-CG 4.39Å; M37-R100 VanDerWaalsContact SD-CZ 3.52Å; M37-R100 PolarHBondContact SD-NE 2.92Å; M37-Y268 HydrophobicContact CE-CE1 4.08Å
38Y90.6Very high90.6Very high11 Ų1142.6 Ų42.64%0.04322%0.221CC..Hα-helixtrans-71.1-28.3-178.1-68.6-56.2000111.4I27 L33 T35 P36 L41 C42 N272 D274 V275I27-Y38 WeakPolarHBondContact CD1-O 3.16Å; L33-Y38 HydrophobicContact CB-CD2 3.98Å; L33-Y38 HydrophobicContact CB-CG 4.21Å; L33-Y38 HydrophobicContact CD2-CD1 4.32Å; L33-Y38 HydrophobicContact CD2-CD2 3.83Å; L33-Y38 HydrophobicContact CD2-CE1 4.05Å; L33-Y38 HydrophobicContact CD2-CE2 3.53Å; L33-Y38 HydrophobicContact CD2-CG 4.26Å; L33-Y38 WeakPolarHBondContact O-CB 3.48Å; L33-Y38 VanDerWaalsContact O-CD2 3.29Å; L33-Y38 WeakPolarHBondContact O-CD2 3.4Å; T35-Y38 HydrophobicContact CG2-CD2 4.31Å; T35-Y38 PolarHBondContact O-N 3.02Å; T35-Y38 VanDerWaalsContact O-N 3.15Å; T35-Y38 WeakPolarHBondContact OG1-CD2 3.42Å; P36-Y38 PolarHBondContact O-N 3.48Å; Y38-L41 HydrophobicContact CD1-CD2 4.04Å; Y38-L41 PolarHBondContact O-N 3.44Å; Y38-C42 WeakPolarHBondContact O-CB 3.28Å; Y38-C42 PolarHBondContact O-N 3.28Å; Y38-N272 PolarHBondContact OH-ND2 2.96Å; Y38-N272 PolarHBondContact OH-OD1 3.42Å; Y38-D274 WeakPolarHBondContact OH-CB 3.23Å; Y38-D274 PolarHBondContact OH-OD2 2.56Å; Y38-V275 HydrophobicContact CE1-CG2 3.74Å
39F93.4Very high90.6Very high70 Ų7038.6 Ų38.631%0.30720%0.201SC..Hα-helixtrans-60.8-45.7168.4171-100.8000111.7T35 P36 M37 C42 N43 C119 L120 M123T35-F39 PolarHBondContact O-N 3.4Å; P36-F39 WeakPolarHBondContact O-CB 3.02Å; P36-F39 PolarHBondContact O-N 3.5Å; M37-F39 VanDerWaalsContact C-N 3.28Å; M37-F39 PolarHBondContact O-N 2.88Å; F39-C42 WeakPolarHBondContact O-CB 3.4Å; F39-C42 PolarHBondContact O-N 3.41Å; F39-N43 PolarHBondContact O-N 2.81Å; F39-N43 PolarHBondContact O-ND2 2.82Å; F39-C119 HydrophobicContact CD1-CB 3.85Å; F39-C119 HydrophobicContact CE1-CB 3.9Å; F39-L120 HydrophobicContact CE2-CD2 4.39Å; F39-L120 HydrophobicContact CZ-CD2 3.85Å; F39-M123 HydrophobicContact CD1-CG 4.22Å; F39-M123 HydrophobicContact CE1-CB 4.2Å; F39-M123 HydrophobicContact CE1-CG 3.33Å; F39-M123 HydrophobicContact CZ-CB 4.38Å; F39-M123 HydrophobicContact CZ-CG 3.83Å
40F93.9Very high90.7Very high0 Ų035.6 Ų35.60%019%0.187CC..Hα-helixtrans-62.6-42.4173.1-64.9-61000111.9P36 M37 C42 N43 L44 A95 M96 D99 C119 L122 M123P36-F40 HydrophobicContact CB-CE2 4.46Å; P36-F40 WeakPolarHBondContact O-CD2 3.25Å; P36-F40 PolarHBondContact O-N 3.34Å; M37-F40 PolarHBondContact O-N 3.47Å; F40-C42 VanDerWaalsContact C-N 3.32Å; F40-C42 PolarHBondContact O-N 2.58Å; F40-N43 PolarHBondContact O-N 3.19Å; F40-N43 VanDerWaalsContact O-N 3.12Å; F40-L44 PolarHBondContact O-N 3.1Å; F40-A95 HydrophobicContact CD1-CB 4.2Å; F40-A95 HydrophobicContact CE1-CB 3.91Å; F40-A95 HydrophobicContact CZ-CB 4.28Å; F40-M96 HydrophobicContact CB-CG 3.4Å; F40-M96 VanDerWaalsContact CB-CG 3.4Å; F40-M96 HydrophobicContact CB-SD 4.11Å; F40-M96 HydrophobicContact CD2-CG 4.36Å; F40-M96 HydrophobicContact CG-CG 4.03Å; F40-D99 HydrophobicContact CD2-CB 4.35Å; F40-D99 HydrophobicContact CE2-CB 4.03Å; F40-C119 HydrophobicContact CE1-CB 4.49Å; F40-C119 HydrophobicContact CZ-CB 4.03Å; F40-L122 HydrophobicContact CE1-CB 4.12Å; F40-L122 HydrophobicContact CZ-CB 4.38Å; F40-L122 HydrophobicContact CZ-CD1 3.97Å; F40-M123 HydrophobicContact CD1-CG 3.97Å; F40-M123 HydrophobicContact CD1-SD 3.56Å; F40-M123 VanDerWaalsContact CD1-SD 3.56Å; F40-M123 HydrophobicContact CE1-CG 4Å; F40-M123 HydrophobicContact CE1-SD 4.06Å
41L92.1Very high90.6Very high6 Ų635.3 Ų35.33%0.03119%0.185CC..Hα-helixtrans-62.4-37.1177.8-173.962.1000112.9M23 I27 M37 Y38 N43 L44 S45 M96 Y268M23-L41 HydrophobicContact CE-CD2 3.49Å; M23-L41 VanDerWaalsContact CE-CD2 3.49Å; M23-L41 HydrophobicContact CE-CG 4.23Å; I27-L41 HydrophobicContact CD1-CB 4.36Å; I27-L41 HydrophobicContact CD1-CD2 4.41Å; I27-L41 HydrophobicContact CD1-CG 4.36Å; M37-L41 PolarHBondContact O-N 2.85Å; Y38-L41 HydrophobicContact CD1-CD2 4.04Å; Y38-L41 PolarHBondContact O-N 3.44Å; L41-N43 VanDerWaalsContact C-N 3.3Å; L41-N43 PolarHBondContact O-N 2.92Å; L41-L44 HydrophobicContact CD1-CD2 4.19Å; L41-L44 PolarHBondContact O-N 2.93Å; L41-S45 PolarHBondContact O-N 3.48Å; L41-S45 PolarHBondContact O-OG 3.47Å; L41-M96 HydrophobicContact CB-CE 4.46Å; L41-M96 HydrophobicContact CD1-CE 4.28Å; L41-Y268 HydrophobicContact CD1-CD1 4.07Å; L41-Y268 HydrophobicContact CD1-CD2 3.34Å; L41-Y268 HydrophobicContact CD1-CE1 4.48Å; L41-Y268 HydrophobicContact CD1-CE2 3.85Å; L41-Y268 HydrophobicContact CD1-CG 3.49Å; L41-Y268 VanDerWaalsContact CD1-CG 3.49Å; L41-Y268 HydrophobicContact CD2-CG 4.19Å
42C93.1Very high90.6Very high24 Ų2430.3 Ų30.316%0.16215%0.154CC..Hα-helixtrans-62.1-40.5174.7-174.60000111.4I27 Y38 F39 F40 F46I27-C42 HydrophobicContact CB-CB 4.48Å; I27-C42 HydrophobicContact CD1-CB 3.89Å; I27-C42 HydrophobicContact CG2-CB 4.13Å; Y38-C42 WeakPolarHBondContact O-CB 3.28Å; Y38-C42 PolarHBondContact O-N 3.28Å; F39-C42 WeakPolarHBondContact O-CB 3.4Å; F39-C42 PolarHBondContact O-N 3.41Å; F40-C42 VanDerWaalsContact C-N 3.32Å; F40-C42 PolarHBondContact O-N 2.58Å; C42-F46 PolarHBondContact O-N 2.98Å; C42-F46 VanDerWaalsContact O-N 3.15Å
43N94.8Very high90.7Very high28 Ų2826.1 Ų26.115%0.1514%0.14CC..Hα-helixtrans-72.3-39176.5-76.1-84.8000111.8F39 F40 L41 S45 F46 V47 M123 Y127F39-N43 PolarHBondContact O-N 2.81Å; F39-N43 PolarHBondContact O-ND2 2.82Å; F40-N43 PolarHBondContact O-N 3.19Å; F40-N43 VanDerWaalsContact O-N 3.12Å; L41-N43 VanDerWaalsContact C-N 3.3Å; L41-N43 PolarHBondContact O-N 2.92Å; N43-S45 VanDerWaalsContact C-N 3.31Å; N43-S45 PolarHBondContact O-N 2.95Å; N43-F46 WeakPolarHBondContact O-CB 3.05Å; N43-F46 PolarHBondContact O-N 3.42Å; N43-V47 WeakPolarHBondContact O-CG2 3.33Å; N43-V47 PolarHBondContact O-N 2.83Å; N43-M123 HydrophobicContact CB-CE 3.32Å; N43-M123 HydrophobicContact CB-SD 3.73Å; N43-M123 VanDerWaalsContact CG-CE 3.5Å; N43-Y127 WeakPolarHBondContact CB-OH 3.26Å; N43-Y127 PolarHBondContact OD1-OH 2.7Å
44L92.7Very high90.8Very high0 Ų027.2 Ų27.20%015%0.149CC..Hα-helixtrans-56.3-47.3171.9-176.263.6000110.5F40 L41 F46 V47 D48 E89 V92 L93 M96 Y268F40-L44 PolarHBondContact O-N 3.1Å; L41-L44 HydrophobicContact CD1-CD2 4.19Å; L41-L44 PolarHBondContact O-N 2.93Å; L44-F46 VanDerWaalsContact C-N 3.26Å; L44-F46 PolarHBondContact O-N 2.98Å; L44-V47 WeakPolarHBondContact O-CB 3.31Å; L44-V47 PolarHBondContact O-N 3.13Å; L44-V47 VanDerWaalsContact O-N 3.15Å; L44-D48 WeakPolarHBondContact O-CB 3.5Å; L44-D48 PolarHBondContact O-N 3.32Å; L44-E89 HydrophobicContact CD1-CB 4.31Å; L44-E89 HydrophobicContact CD1-CG 3.65Å; L44-V92 HydrophobicContact CB-CG1 3.99Å; L44-V92 HydrophobicContact CD1-CG1 4.29Å; L44-L93 HydrophobicContact CD1-CD2 4.49Å; L44-L93 HydrophobicContact CD2-CD2 4.16Å; L44-M96 HydrophobicContact CD2-CE 4.36Å; L44-M96 HydrophobicContact CD2-SD 4.09Å; L44-Y268 HydrophobicContact CD2-CE2 3.79Å
45S93.1Very high90.6Very high2 Ų221.8 Ų21.81%0.01412%0.124CC..Hα-helixtrans-60.4-33.2175-77.30000113.9N20 L41 N43 L49N20-S45 WeakPolarHBondContact OD1-CA 3.49Å; N20-S45 WeakPolarHBondContact OD1-CB 3.29Å; N20-S45 PolarHBondContact OD1-OG 3.03Å; L41-S45 PolarHBondContact O-N 3.48Å; L41-S45 PolarHBondContact O-OG 3.47Å; N43-S45 VanDerWaalsContact C-N 3.31Å; N43-S45 PolarHBondContact O-N 2.95Å; S45-L49 VanDerWaalsContact O-CG 3.24Å; S45-L49 WeakPolarHBondContact O-CG 3.32Å; S45-L49 PolarHBondContact O-N 3.26Å
46F93.7Very high90.4Very high110 Ų11019.1 Ų19.148%0.48211%0.108SC..Hα-helixtrans-70.2-43.3174.5174.3-99.8000111.8I24 C42 N43 L44 L49 G50 F85I24-F46 HydrophobicContact CD1-CB 4.41Å; C42-F46 PolarHBondContact O-N 2.98Å; C42-F46 VanDerWaalsContact O-N 3.15Å; N43-F46 WeakPolarHBondContact O-CB 3.05Å; N43-F46 PolarHBondContact O-N 3.42Å; L44-F46 VanDerWaalsContact C-N 3.26Å; L44-F46 PolarHBondContact O-N 2.98Å; F46-L49 PolarHBondContact O-N 3.32Å; F46-G50 PolarHBondContact O-N 3.47Å; F46-F85 HydrophobicContact CE1-CE1 4.11Å
47V92.8Very high90.1Very high0 Ų020.5 Ų20.50%012%0.116CC..Hα-helixtrans-60.7-47.3175.5172.10000110.8N43 L44 L49 G50 Y51 F85 A88 E89 Y127N43-V47 WeakPolarHBondContact O-CG2 3.33Å; N43-V47 PolarHBondContact O-N 2.83Å; L44-V47 WeakPolarHBondContact O-CB 3.31Å; L44-V47 PolarHBondContact O-N 3.13Å; L44-V47 VanDerWaalsContact O-N 3.15Å; V47-L49 VanDerWaalsContact C-N 3.32Å; V47-L49 PolarHBondContact O-N 2.96Å; V47-G50 WeakPolarHBondContact O-CA 3.29Å; V47-G50 PolarHBondContact O-N 3.19Å; V47-Y51 HydrophobicContact CG1-CD1 4.2Å; V47-Y51 HydrophobicContact CG1-CE1 4.3Å; V47-Y51 WeakPolarHBondContact O-CD1 3.25Å; V47-Y51 PolarHBondContact O-N 3.15Å; V47-Y51 VanDerWaalsContact O-N 3.16Å; V47-F85 HydrophobicContact CB-CD1 4.3Å; V47-F85 HydrophobicContact CG1-CB 3.96Å; V47-F85 HydrophobicContact CG1-CD1 4.06Å; V47-F85 HydrophobicContact CG1-CG 4.45Å; V47-F85 WeakPolarHBondContact CG1-O 3.4Å; V47-F85 HydrophobicContact CG2-CD1 4.22Å; V47-A88 HydrophobicContact CG2-CB 4.36Å; V47-E89 HydrophobicContact CG1-CB 3.84Å; V47-Y127 HydrophobicContact CG2-CE1 3.67Å
48D90.4Very high89.8Confident0 Ų023.6 Ų23.60%013%0.128CC..Hα-helixtrans-54.4-45.8176.2-75.6-4.9000112L44 G50 Y51 S52 P261 N264L44-D48 WeakPolarHBondContact O-CB 3.5Å; L44-D48 PolarHBondContact O-N 3.32Å; D48-G50 VanDerWaalsContact C-N 3.31Å; D48-G50 PolarHBondContact O-N 2.9Å; D48-Y51 VanDerWaalsContact CA-CE1 3.47Å; D48-Y51 HydrophobicContact CB-CE1 4.44Å; D48-Y51 PolarHBondContact OD1-OH 2.84Å; D48-S52 WeakPolarHBondContact O-CB 3.36Å; D48-S52 PolarHBondContact O-N 3.39Å; D48-S52 VanDerWaalsContact O-N 3.16Å; D48-S52 PolarHBondContact O-OG 3.35Å; D48-P261 HydrophobicContact CB-CB 3.71Å; D48-N264 PolarHBondContact OD1-ND2 2.89Å; D48-N264 VanDerWaalsContact OD2-CB 3.28Å; D48-N264 WeakPolarHBondContact OD2-CB 3.36Å; D48-N264 PolarHBondContact OD2-ND2 2.88Å
49L91.1Very high89.4Confident26 Ų2623.1 Ų23.114%0.13613%0.126CC..Hα-helixtrans-63.3-38.3175.5-72.6169.5000112.1V17 N20 I21 I24 S45 F46 V47 S53V17-L49 HydrophobicContact CB-CD2 4.31Å; V17-L49 HydrophobicContact CG1-CD2 4.45Å; V17-L49 HydrophobicContact CG2-CD2 4.19Å; N20-L49 HydrophobicContact CB-CD1 3.99Å; N20-L49 HydrophobicContact CB-CD2 3.78Å; N20-L49 HydrophobicContact CB-CG 3.61Å; I21-L49 HydrophobicContact CG1-CD1 3.76Å; I21-L49 HydrophobicContact CG1-CD2 4.26Å; I24-L49 HydrophobicContact CD1-CD1 3.83Å; S45-L49 VanDerWaalsContact O-CG 3.24Å; S45-L49 WeakPolarHBondContact O-CG 3.32Å; S45-L49 PolarHBondContact O-N 3.26Å; F46-L49 PolarHBondContact O-N 3.32Å; V47-L49 VanDerWaalsContact C-N 3.32Å; V47-L49 PolarHBondContact O-N 2.96Å; L49-S53 WeakPolarHBondContact O-CB 3.48Å; L49-S53 PolarHBondContact O-N 3.4Å; L49-S53 PolarHBondContact O-OG 3.49Å
50G89.6Confident89Confident18 Ų1820.4 Ų20.419%0.18612%0.115CC..Hα-helixtrans-59.8-62.3-178.200000112.2F46 V47 D48 S53 A54F46-G50 PolarHBondContact O-N 3.47Å; V47-G50 WeakPolarHBondContact O-CA 3.29Å; V47-G50 PolarHBondContact O-N 3.19Å; D48-G50 VanDerWaalsContact C-N 3.31Å; D48-G50 PolarHBondContact O-N 2.9Å; G50-S53 PolarHBondContact O-N 3.01Å; G50-A54 PolarHBondContact O-N 3.37Å; G50-A54 VanDerWaalsContact O-N 3.08Å
51Y84.3Confident88.6Confident1 Ų122.4 Ų22.40%0.00413%0.131CC..Hα-helixtrans-70.6-35.6-177.669.1-101.1000112.8V47 D48 S53 A54 I55 F82 F85 V86 E89 T257 P261V47-Y51 HydrophobicContact CG1-CD1 4.2Å; V47-Y51 HydrophobicContact CG1-CE1 4.3Å; V47-Y51 WeakPolarHBondContact O-CD1 3.25Å; V47-Y51 PolarHBondContact O-N 3.15Å; V47-Y51 VanDerWaalsContact O-N 3.16Å; D48-Y51 VanDerWaalsContact CA-CE1 3.47Å; D48-Y51 HydrophobicContact CB-CE1 4.44Å; D48-Y51 PolarHBondContact OD1-OH 2.84Å; Y51-S53 VanDerWaalsContact C-N 3.31Å; Y51-S53 PolarHBondContact O-N 2.9Å; Y51-A54 WeakPolarHBondContact O-CB 3.17Å; Y51-A54 PolarHBondContact O-N 3.42Å; Y51-I55 PolarHBondContact O-N 3.34Å; Y51-F82 HydrophobicContact CD2-CE2 4.45Å; Y51-F85 HydrophobicContact CD1-CB 4Å; Y51-F85 HydrophobicContact CG-CB 4.42Å; Y51-V86 HydrophobicContact CG-CG2 4.46Å; Y51-E89 WeakPolarHBondContact CE1-OE2 3.48Å; Y51-E89 PolarHBondContact OH-OE2 3.07Å; Y51-T257 WeakPolarHBondContact CE2-O 3.4Å; Y51-P261 HydrophobicContact CE2-CB 4.11Å; Y51-P261 HydrophobicContact CE2-CG 3.53Å; Y51-P261 VanDerWaalsContact OH-CB 3.31Å; Y51-P261 WeakPolarHBondContact OH-CB 3.2Å; Y51-P261 VanDerWaalsContact OH-CD 3.31Å; Y51-P261 WeakPolarHBondContact OH-CD 3.22Å; Y51-P261 WeakPolarHBondContact OH-CG 3.36Å
52S86.6Confident88.2Confident0 Ų023.3 Ų23.30%014%0.136CC..Hα-helixtrans-62.7-39.5176.2-60.90000111.8N16 D48 I55 A56 T257 P261N16-S52 WeakPolarHBondContact ND2-CB 3.44Å; N16-S52 PolarHBondContact ND2-OG 2.96Å; D48-S52 WeakPolarHBondContact O-CB 3.36Å; D48-S52 PolarHBondContact O-N 3.39Å; D48-S52 VanDerWaalsContact O-N 3.16Å; D48-S52 PolarHBondContact O-OG 3.35Å; S52-I55 PolarHBondContact O-N 3.31Å; S52-A56 WeakPolarHBondContact O-CB 3.21Å; S52-A56 PolarHBondContact O-N 3.49Å; S52-T257 PolarHBondContact OG-O 2.94Å; S52-P261 WeakPolarHBondContact OG-CG 3.34Å
53S88.3Confident87.6Confident49 Ų4923 Ų2334%0.34313%0.132SC..Hα-helixtrans-78.1-20.4178.3-57.40000113.2Y13 L49 G50 Y51 I55 P57Y13-S53 PolarHBondContact OH-OG 3.01Å; L49-S53 WeakPolarHBondContact O-CB 3.48Å; L49-S53 PolarHBondContact O-N 3.4Å; L49-S53 PolarHBondContact O-OG 3.49Å; G50-S53 PolarHBondContact O-N 3.01Å; Y51-S53 VanDerWaalsContact C-N 3.31Å; Y51-S53 PolarHBondContact O-N 2.9Å; S53-I55 VanDerWaalsContact C-N 3.34Å; S53-P57 WeakPolarHBondContact O-CD 3.13Å; S53-P57 VanDerWaalsContact O-CG 3.3Å; S53-P57 WeakPolarHBondContact O-CG 3.42Å
54A86.9Confident87Confident24 Ų2426.7 Ų26.720%0.19815%0.151CC..Hα-helixtrans-69.5-33.5170.300000111.9G50 Y51 Q78 F81G50-A54 PolarHBondContact O-N 3.37Å; G50-A54 VanDerWaalsContact O-N 3.08Å; Y51-A54 WeakPolarHBondContact O-CB 3.17Å; Y51-A54 PolarHBondContact O-N 3.42Å; A54-Q78 WeakPolarHBondContact O-CG 3.43Å; A54-Q78 PolarHBondContact O-NE2 3.18Å; A54-F81 HydrophobicContact CB-CB 4.06Å
55I83.4Confident86.5Confident0 Ų029.6 Ų29.60%017%0.169CC..Hα-helixtrans-100.2-54.7-173.5-66.5177.6000112.7Y51 S52 S53 R58 M59 Q78 F82 F156 T257Y51-I55 PolarHBondContact O-N 3.34Å; S52-I55 PolarHBondContact O-N 3.31Å; S53-I55 VanDerWaalsContact C-N 3.34Å; I55-R58 PolarHBondContact O-N 2.87Å; I55-M59 PolarHBondContact O-N 3.22Å; I55-Q78 HydrophobicContact CG1-CG 4.36Å; I55-F82 HydrophobicContact CD1-CB 4.3Å; I55-F82 HydrophobicContact CD1-CD2 3.19Å; I55-F82 HydrophobicContact CD1-CE2 3.39Å; I55-F82 HydrophobicContact CD1-CG 3.78Å; I55-F82 HydrophobicContact CD1-CZ 4.05Å; I55-F82 HydrophobicContact CG1-CD2 4.25Å; I55-F156 HydrophobicContact CD1-CD1 4.14Å; I55-F156 HydrophobicContact CD1-CD2 3.9Å; I55-F156 HydrophobicContact CD1-CE1 4.21Å; I55-F156 HydrophobicContact CD1-CE2 4Å; I55-F156 HydrophobicContact CD1-CG 3.98Å; I55-F156 HydrophobicContact CD1-CZ 4.15Å; I55-F156 HydrophobicContact CG1-CB 4.33Å; I55-F156 HydrophobicContact CG1-CD2 4.41Å; I55-F156 HydrophobicContact CG1-CG 4.22Å; I55-F156 HydrophobicContact CG2-CB 4.11Å; I55-F156 HydrophobicContact CG2-CD1 3.78Å; I55-F156 HydrophobicContact CG2-CE1 4.45Å; I55-F156 HydrophobicContact CG2-CG 4.08Å; I55-T257 HydrophobicContact CD1-CG2 3.74Å
56A85.1Confident85.4Confident0 Ų039.1 Ų39.10%021%0.211CC..Hα-helixtrans-62.1-43.3-164.700000114.4Y13 S52 R58 M59 L60 I258Y13-A56 HydrophobicContact CD2-CB 3.42Å; Y13-A56 VanDerWaalsContact CD2-CB 3.42Å; Y13-A56 HydrophobicContact CE2-CB 3.9Å; Y13-A56 HydrophobicContact CG-CB 3.88Å; S52-A56 WeakPolarHBondContact O-CB 3.21Å; S52-A56 PolarHBondContact O-N 3.49Å; A56-R58 VanDerWaalsContact C-N 3.27Å; A56-R58 PolarHBondContact O-N 2.87Å; A56-M59 PolarHBondContact O-N 3.43Å; A56-L60 WeakPolarHBondContact O-CB 3.35Å; A56-L60 WeakPolarHBondContact O-CG 3.34Å; A56-L60 PolarHBondContact O-N 3.27Å; A56-I258 HydrophobicContact CB-CD1 4.08Å
57P85.1Confident84.4Confident57 Ų5741.6 Ų41.637%0.3722%0.223SC..Hα-helixtrans-60.1-39.3179.6-24.835.8000112.5S53 A61S53-P57 WeakPolarHBondContact O-CD 3.13Å; S53-P57 VanDerWaalsContact O-CG 3.3Å; S53-P57 WeakPolarHBondContact O-CG 3.42Å; P57-A61 PolarHBondContact O-N 3.16Å
58R84.6Confident83.8Confident70 Ų7047.1 Ų47.126%0.26425%0.247SC..Hα-helixtrans-69.3-48.7178.6178.964.8-157.5-147.68.2111.1I55 A56 L60 A61 D62 V69I55-R58 PolarHBondContact O-N 2.87Å; A56-R58 VanDerWaalsContact C-N 3.27Å; A56-R58 PolarHBondContact O-N 2.87Å; R58-L60 PolarHBondContact O-N 2.93Å; R58-A61 WeakPolarHBondContact O-CB 3.41Å; R58-A61 PolarHBondContact O-N 3.38Å; R58-A61 VanDerWaalsContact O-N 3.11Å; R58-D62 IonicContact CZ-OD1 3.53Å; R58-D62 IonicContact CZ-OD2 3.87Å; R58-D62 IonicContact NE-OD1 3.31Å; R58-D62 PolarHBondContact NE-OD1 3.43Å; R58-D62 IonicContact NE-OD2 3.06Å; R58-D62 PolarHBondContact NE-OD2 3.36Å; R58-D62 IonicContact NH2-OD1 2.93Å; R58-D62 PolarHBondContact NH2-OD1 3.47Å; R58-D62 IonicContact NH2-OD2 3.72Å; R58-D62 PolarHBondContact O-N 3.44Å; R58-V69 PolarHBondContact NH1-O 2.83Å; R58-V69 VanDerWaalsContact NH2-C 3.28Å; R58-V69 PolarHBondContact NH2-O 2.88Å
59M82.7Confident83.3Confident1 Ų152.5 Ų52.51%0.00528%0.28CS..Hα-helixtrans-55.7-41.5176-176.2-169.170.200111.5F9 I55 A56 D62 F63 F155 V254 I258F9-M59 HydrophobicContact CB-CE 3.7Å; F9-M59 HydrophobicContact CD1-CE 3.72Å; F9-M59 HydrophobicContact CD2-CE 4.06Å; F9-M59 HydrophobicContact CE1-CE 4.43Å; F9-M59 HydrophobicContact CG-CE 3.54Å; I55-M59 PolarHBondContact O-N 3.22Å; A56-M59 PolarHBondContact O-N 3.43Å; M59-D62 PolarHBondContact O-N 3.46Å; M59-F63 HydrophobicContact CE-CE2 4.27Å; M59-F63 HydrophobicContact CG-CE2 3.89Å; M59-F63 HydrophobicContact CG-CZ 4.47Å; M59-F63 WeakPolarHBondContact O-CD2 3.01Å; M59-F63 PolarHBondContact O-N 2.89Å; M59-F63 HydrophobicContact SD-CE2 4.38Å; M59-F155 HydrophobicContact CG-CB 4.1Å; M59-F155 HydrophobicContact CG-CD1 3.95Å; M59-F155 HydrophobicContact CG-CG 4.21Å; M59-F155 HydrophobicContact SD-CB 4.29Å; M59-F155 HydrophobicContact SD-CD1 4.43Å; M59-F155 HydrophobicContact SD-CG 4.28Å; M59-V254 HydrophobicContact SD-CG2 3.86Å; M59-I258 HydrophobicContact CE-CD1 3.21Å; M59-I258 HydrophobicContact SD-CD1 3.79Å
60L85.1Confident82.8Confident12 Ų1253.4 Ų53.46%0.06328%0.284CS..Hα-helixtrans-64-43.7176.3-73.4171000112.4F6 F9 L10 Y13 A56 R58 D62 F63F6-L60 HydrophobicContact CD2-CB 4.27Å; F6-L60 HydrophobicContact CD2-CD2 3.87Å; F6-L60 WeakPolarHBondContact CD2-O 3.24Å; F6-L60 HydrophobicContact CE2-CB 4.02Å; F6-L60 HydrophobicContact CE2-CD2 4.08Å; F9-L60 HydrophobicContact CB-CD2 3.65Å; L10-L60 HydrophobicContact CB-CD2 4.07Å; L10-L60 HydrophobicContact CD1-CD1 4Å; Y13-L60 HydrophobicContact CD1-CD1 4.22Å; Y13-L60 HydrophobicContact CG-CD1 4.5Å; A56-L60 WeakPolarHBondContact O-CB 3.35Å; A56-L60 WeakPolarHBondContact O-CG 3.34Å; A56-L60 PolarHBondContact O-N 3.27Å; R58-L60 PolarHBondContact O-N 2.93Å; L60-D62 VanDerWaalsContact C-N 3.31Å; L60-D62 PolarHBondContact O-N 3.06Å; L60-F63 PolarHBondContact O-N 3.22Å
61A85.2Confident82.6Confident42 Ų4255.4 Ų55.435%0.34730%0.295SS..Hα-helixtrans-61-40.9175.600000111.8P57 R58 F63 L64 T65P57-A61 PolarHBondContact O-N 3.16Å; R58-A61 WeakPolarHBondContact O-CB 3.41Å; R58-A61 PolarHBondContact O-N 3.38Å; R58-A61 VanDerWaalsContact O-N 3.11Å; A61-F63 PolarHBondContact O-N 3.21Å; A61-L64 PolarHBondContact O-N 2.81Å; A61-T65 WeakPolarHBondContact O-CG2 3.21Å; A61-T65 PolarHBondContact O-N 3.43Å; A61-T65 PolarHBondContact O-OG1 2.72Å
62D83Confident82.4Confident26 Ų2661 Ų6114%0.13932%0.32CS..Hα-helixtrans-68.7-13.2-179.9-69.2-34.6000113.6R58 M59 L60 K68R58-D62 IonicContact CZ-OD1 3.53Å; R58-D62 IonicContact CZ-OD2 3.87Å; R58-D62 IonicContact NE-OD1 3.31Å; R58-D62 PolarHBondContact NE-OD1 3.43Å; R58-D62 IonicContact NE-OD2 3.06Å; R58-D62 PolarHBondContact NE-OD2 3.36Å; R58-D62 IonicContact NH2-OD1 2.93Å; R58-D62 PolarHBondContact NH2-OD1 3.47Å; R58-D62 IonicContact NH2-OD2 3.72Å; R58-D62 PolarHBondContact O-N 3.44Å; M59-D62 PolarHBondContact O-N 3.46Å; L60-D62 VanDerWaalsContact C-N 3.31Å; L60-D62 PolarHBondContact O-N 3.06Å; D62-K68 HydrophobicContact CB-CD 4.3Å; D62-K68 HydrophobicContact CB-CG 4.24Å; D62-K68 WeakPolarHBondContact O-CE 3.44Å; D62-K68 PolarHBondContact O-NZ 2.81Å
63F81.1Confident82.3Confident16 Ų1664.6 Ų64.67%0.0735%0.345CS..Hα-helixtrans-79.6-23.3168-72.6-60.8000113.5F5 F6 F9 M59 L60 A61 F155F5-F63 HydrophobicContact CB-CD1 4.27Å; F5-F63 HydrophobicContact CB-CE1 3.91Å; F5-F63 HydrophobicContact CB-CZ 4.1Å; F6-F63 HydrophobicContact CB-CB 3.92Å; F6-F63 HydrophobicContact CB-CG 4.44Å; F6-F63 HydrophobicContact CD2-CB 4.27Å; F9-F63 HydrophobicContact CD2-CD2 4.42Å; F9-F63 AromaticContact CD2-CE2 3.43Å; F9-F63 HydrophobicContact CD2-CE2 3.43Å; F9-F63 VanDerWaalsContact CD2-CE2 3.43Å; F9-F63 AromaticContact CD2-CZ 3.69Å; F9-F63 HydrophobicContact CD2-CZ 3.69Å; F9-F63 AromaticContact CE2-CE2 3.99Å; F9-F63 HydrophobicContact CE2-CE2 3.99Å; F9-F63 AromaticContact CE2-CZ 3.77Å; F9-F63 HydrophobicContact CE2-CZ 3.77Å; F9-F63 HydrophobicContact CG-CE2 4.28Å; M59-F63 HydrophobicContact CE-CE2 4.27Å; M59-F63 HydrophobicContact CG-CE2 3.89Å; M59-F63 HydrophobicContact CG-CZ 4.47Å; M59-F63 WeakPolarHBondContact O-CD2 3.01Å; M59-F63 PolarHBondContact O-N 2.89Å; M59-F63 HydrophobicContact SD-CE2 4.38Å; L60-F63 PolarHBondContact O-N 3.22Å; A61-F63 PolarHBondContact O-N 3.21Å; F63-F155 AromaticContact CE1-CE1 3.93Å; F63-F155 HydrophobicContact CE1-CE1 3.93Å; F63-F155 HydrophobicContact CZ-CD1 4.37Å; F63-F155 AromaticContact CZ-CE1 3.66Å; F63-F155 HydrophobicContact CZ-CE1 3.66Å; F63-F155 HydrophobicContact CZ-CZ 4.19Å
64L82.4Confident82.1Confident106 Ų10665.1 Ų65.156%0.55535%0.349SS*.Hα-helixtrans-98.6-23.1-176.9-60.9-179.1000112.8F6 A61F6-L64 HydrophobicContact CB-CD2 4.41Å; F6-L64 HydrophobicContact CD1-CD2 4.14Å; F6-L64 HydrophobicContact CD2-CD1 3.98Å; F6-L64 HydrophobicContact CD2-CD2 3.87Å; F6-L64 HydrophobicContact CD2-CG 3.71Å; F6-L64 HydrophobicContact CE1-CD1 4.4Å; F6-L64 HydrophobicContact CE1-CD2 4.41Å; F6-L64 HydrophobicContact CE2-CD1 3.46Å; F6-L64 VanDerWaalsContact CE2-CD1 3.46Å; F6-L64 HydrophobicContact CE2-CD2 4.16Å; F6-L64 HydrophobicContact CE2-CG 3.75Å; F6-L64 HydrophobicContact CG-CD2 3.86Å; F6-L64 HydrophobicContact CG-CG 4.24Å; F6-L64 HydrophobicContact CZ-CD1 3.71Å; F6-L64 HydrophobicContact CZ-CD2 4.43Å; F6-L64 HydrophobicContact CZ-CG 4.32Å; A61-L64 PolarHBondContact O-N 2.81Å
65T81.7Confident82.1Confident62 Ų6264.2 Ų64.238%0.3834%0.341SS..  trans-94.5140-177.559.30000112.2A61A61-T65 WeakPolarHBondContact O-CG2 3.21Å; A61-T65 PolarHBondContact O-N 3.43Å; A61-T65 PolarHBondContact O-OG1 2.72Å
66K70.8Confident82.2Confident202 Ų20265 Ų6588%0.87835%0.347SS*.SBendtrans-75.8-28.7172.3-68.6-175179.7-179.90112.4
67H73.3Confident82.4Confident161 Ų16168.4 Ų68.475%0.74537%0.368SS*.  trans-107.7105.1179-62.3-68.2000110.1V69H67-V69 PolarHBondContact O-N 3.04Å
68K78.4Confident82.6Confident117 Ų11766.3 Ų66.351%0.50935%0.354SS..  trans-96.582.6-178.2-56178.8-169.7-164.20109.1D62D62-K68 HydrophobicContact CB-CD 4.3Å; D62-K68 HydrophobicContact CB-CG 4.24Å; D62-K68 WeakPolarHBondContact O-CE 3.44Å; D62-K68 PolarHBondContact O-NZ 2.81Å
69V79.8Confident82.7Confident112 Ų11263 Ų6368%0.67934%0.341SS*.  trans-121.1127-178.3-170.70000109.4R58 H67R58-V69 PolarHBondContact NH1-O 2.83Å; R58-V69 VanDerWaalsContact NH2-C 3.28Å; R58-V69 PolarHBondContact NH2-O 2.88Å; H67-V69 PolarHBondContact O-N 3.04Å
70I82Confident83Confident46 Ų4663.5 Ų63.524%0.23635%0.345CS..  trans-114.8138.4173.7-168.9168.1000108.4C75I70-C75 HydrophobicContact CD1-CB 4.08Å; I70-C75 HydrophobicContact CG1-CB 4.26Å; I70-C75 HydrophobicContact CG2-CB 4.29Å
71S84.4Confident83.2Confident59 Ų5967.8 Ų67.841%0.41336%0.364SS..  trans-72.3152.8172.367.50000109.8S73 S74 C75S71-S73 VanDerWaalsContact C-N 3.27Å; S71-S73 PolarHBondContact O-N 3.27Å; S71-S73 PolarHBondContact OG-OG 3.45Å; S71-S74 PolarHBondContact O-N 3.39Å; S71-S74 VanDerWaalsContact OG-CB 3.26Å; S71-S74 WeakPolarHBondContact OG-CB 3.39Å; S71-S74 PolarHBondContact OG-N 3.46Å; S71-S74 PolarHBondContact OG-OG 3.22Å; S71-C75 WeakPolarHBondContact O-CB 3.49Å; S71-C75 PolarHBondContact O-N 2.73Å
72F80.8Confident83.3Confident119 Ų11966.3 Ų66.352%0.52235%0.349SS..Hα-helixtrans-56.4-41.7177-175.4-97.7000112.4C75 A76 F142 Y146F72-C75 WeakPolarHBondContact O-CB 3.09Å; F72-C75 PolarHBondContact O-N 3.02Å; F72-A76 WeakPolarHBondContact O-CB 3.26Å; F72-A76 PolarHBondContact O-N 3.18Å; F72-F142 HydrophobicContact CD1-CD1 4.41Å; F72-F142 HydrophobicContact CD2-CD1 4.27Å; F72-F142 HydrophobicContact CD2-CE1 4.42Å; F72-F142 HydrophobicContact CE1-CB 4.4Å; F72-F142 AromaticContact CE1-CD1 3.81Å; F72-F142 HydrophobicContact CE1-CD1 3.81Å; F72-F142 AromaticContact CE2-CD1 3.65Å; F72-F142 HydrophobicContact CE2-CD1 3.65Å; F72-F142 HydrophobicContact CE2-CE1 4.14Å; F72-F142 HydrophobicContact CZ-CB 4.07Å; F72-F142 AromaticContact CZ-CD1 3.43Å; F72-F142 HydrophobicContact CZ-CD1 3.43Å; F72-F142 VanDerWaalsContact CZ-CD1 3.43Å; F72-F142 HydrophobicContact CZ-CE1 4.34Å; F72-F142 HydrophobicContact CZ-CG 4.24Å; F72-Y146 AromaticContact CE2-CD2 3.88Å; F72-Y146 HydrophobicContact CE2-CD2 3.88Å; F72-Y146 AromaticContact CE2-CE2 3.95Å; F72-Y146 HydrophobicContact CE2-CE2 3.95Å; F72-Y146 HydrophobicContact CZ-CD2 4.39Å; F72-Y146 HydrophobicContact CZ-CE2 4.27Å
73S83.3Confident83.6Confident76 Ų7665.7 Ų65.753%0.53135%0.346SS..Hα-helixtrans-66.5-40.6178.156.30000113.1S71 C75 A76 T77S71-S73 VanDerWaalsContact C-N 3.27Å; S71-S73 PolarHBondContact O-N 3.27Å; S71-S73 PolarHBondContact OG-OG 3.45Å; S73-C75 VanDerWaalsContact C-N 3.34Å; S73-A76 PolarHBondContact O-N 3.47Å; S73-T77 WeakPolarHBondContact O-CB 3.24Å; S73-T77 PolarHBondContact O-N 3.16Å; S73-T77 PolarHBondContact O-OG1 2.97Å
74S85.4Confident84.1Confident60 Ų6065.3 Ų65.342%0.4235%0.347SS..Hα-helixtrans-66.9-37.5175.1-66.50000111.8S71 T77 Q78S71-S74 PolarHBondContact O-N 3.39Å; S71-S74 VanDerWaalsContact OG-CB 3.26Å; S71-S74 WeakPolarHBondContact OG-CB 3.39Å; S71-S74 PolarHBondContact OG-N 3.46Å; S71-S74 PolarHBondContact OG-OG 3.22Å; S74-T77 PolarHBondContact O-N 3Å; S74-Q78 WeakPolarHBondContact O-CB 3.17Å; S74-Q78 PolarHBondContact O-N 3.34Å
75C85.5Confident84.5Confident5 Ų562 Ų623%0.03433%0.328CS..Hα-helixtrans-62.4-47.6173.8-178.10000111.6I70 S71 F72 S73 T77 Q78 F79 F142 C157I70-C75 HydrophobicContact CD1-CB 4.08Å; I70-C75 HydrophobicContact CG1-CB 4.26Å; I70-C75 HydrophobicContact CG2-CB 4.29Å; S71-C75 WeakPolarHBondContact O-CB 3.49Å; S71-C75 PolarHBondContact O-N 2.73Å; F72-C75 WeakPolarHBondContact O-CB 3.09Å; F72-C75 PolarHBondContact O-N 3.02Å; S73-C75 VanDerWaalsContact C-N 3.34Å; C75-T77 VanDerWaalsContact C-N 3.35Å; C75-T77 PolarHBondContact O-N 2.76Å; C75-Q78 PolarHBondContact O-N 3.48Å; C75-F79 VanDerWaalsContact O-CB 3.27Å; C75-F79 WeakPolarHBondContact O-CB 3.39Å; C75-F79 PolarHBondContact O-N 2.86Å; C75-F142 HydrophobicContact CB-CE1 4.48Å; C75-C157 WeakPolarHBondContact CA-SG 3.07Å; C75-C157 HydrophobicContact CB-CB 4.12Å; C75-C157 WeakPolarHBondContact CB-SG 3.21Å; C75-C157 WeakPolarHBondContact SG-CB 3.41Å; C75-C157 CovalentContact SG-SG 2.01Å; C75-C157 PolarHBondContact SG-SG 3.44Å
76A86.8Confident84.9Confident16 Ų1660.2 Ų60.213%0.13232%0.317CS..Hα-helixtrans-60.9-42.617600000112.4F72 S73 F79 A80 F142F72-A76 WeakPolarHBondContact O-CB 3.26Å; F72-A76 PolarHBondContact O-N 3.18Å; S73-A76 PolarHBondContact O-N 3.47Å; A76-F79 PolarHBondContact O-N 2.76Å; A76-A80 WeakPolarHBondContact O-CB 3.37Å; A76-A80 PolarHBondContact O-N 3.43Å; A76-F142 HydrophobicContact CB-CD1 3.63Å; A76-F142 HydrophobicContact CB-CD2 4.1Å; A76-F142 HydrophobicContact CB-CE1 3.59Å; A76-F142 HydrophobicContact CB-CE2 4.06Å; A76-F142 HydrophobicContact CB-CG 3.92Å; A76-F142 HydrophobicContact CB-CZ 3.83Å
77T88.5Confident85.9Confident72 Ų7251.1 Ų51.144%0.44228%0.278SS..Hα-helixtrans-68.3-44.7179.3-60.90000111.6S73 S74 C75 F79 A80 F81S73-T77 WeakPolarHBondContact O-CB 3.24Å; S73-T77 PolarHBondContact O-N 3.16Å; S73-T77 PolarHBondContact O-OG1 2.97Å; S74-T77 PolarHBondContact O-N 3Å; C75-T77 VanDerWaalsContact C-N 3.35Å; C75-T77 PolarHBondContact O-N 2.76Å; T77-F79 VanDerWaalsContact C-N 3.34Å; T77-F79 PolarHBondContact O-N 3.42Å; T77-A80 PolarHBondContact O-N 2.91Å; T77-F81 HydrophobicContact CG2-CD2 3.67Å; T77-F81 HydrophobicContact CG2-CE2 3.53Å; T77-F81 VanDerWaalsContact O-CD2 3.23Å; T77-F81 WeakPolarHBondContact O-CD2 3.18Å; T77-F81 PolarHBondContact O-N 3.36Å; T77-F81 VanDerWaalsContact O-N 3.08Å
78Q89.7Confident86.9Confident13 Ų1343.5 Ų43.56%0.06124%0.243CC..Hα-helixtrans-58-48.3175.3174.6176.97700111A54 I55 S74 C75 F82 F156A54-Q78 WeakPolarHBondContact O-CG 3.43Å; A54-Q78 PolarHBondContact O-NE2 3.18Å; I55-Q78 HydrophobicContact CG1-CG 4.36Å; S74-Q78 WeakPolarHBondContact O-CB 3.17Å; S74-Q78 PolarHBondContact O-N 3.34Å; C75-Q78 PolarHBondContact O-N 3.48Å; Q78-F82 VanDerWaalsContact O-CB 3.24Å; Q78-F82 WeakPolarHBondContact O-CB 3.39Å; Q78-F82 PolarHBondContact O-N 3.47Å; Q78-F156 VanDerWaalsContact OE1-CB 3.29Å
79F87Confident87.6Confident1 Ų138 Ų380%0.00422%0.219CC..Hα-helixtrans-59.5-47.8177.6175.3-96.8000112.3C75 A76 T77 F82 V83 H137 F142 C157 I159 L162C75-F79 VanDerWaalsContact O-CB 3.27Å; C75-F79 WeakPolarHBondContact O-CB 3.39Å; C75-F79 PolarHBondContact O-N 2.86Å; A76-F79 PolarHBondContact O-N 2.76Å; T77-F79 VanDerWaalsContact C-N 3.34Å; T77-F79 PolarHBondContact O-N 3.42Å; F79-F82 WeakPolarHBondContact O-CB 3.46Å; F79-F82 PolarHBondContact O-N 3.23Å; F79-V83 HydrophobicContact CD2-CG2 4.18Å; F79-V83 HydrophobicContact CE1-CG2 4.06Å; F79-V83 HydrophobicContact CE2-CG2 3.63Å; F79-V83 HydrophobicContact CZ-CG2 3.58Å; F79-V83 PolarHBondContact O-N 3.2Å; F79-H137 HydrophobicContact CE1-CB 3.96Å; F79-H137 HydrophobicContact CZ-CB 4.11Å; F79-F142 HydrophobicContact CB-CE2 3.98Å; F79-F142 HydrophobicContact CB-CZ 4.19Å; F79-F142 HydrophobicContact CD1-CD2 4.34Å; F79-F142 AromaticContact CD1-CE2 3.61Å; F79-F142 HydrophobicContact CD1-CE2 3.61Å; F79-F142 HydrophobicContact CE1-CE2 4.33Å; F79-F142 AromaticContact CG-CE2 3.86Å; F79-F142 HydrophobicContact CG-CE2 3.86Å; F79-F142 HydrophobicContact CG-CZ 4.44Å; F79-C157 HydrophobicContact CB-CB 4.33Å; F79-C157 WeakPolarHBondContact CD2-O 3.23Å; F79-I159 HydrophobicContact CE2-CB 4.48Å; F79-I159 HydrophobicContact CE2-CD1 4.21Å; F79-I159 HydrophobicContact CE2-CG1 3.35Å; F79-I159 HydrophobicContact CZ-CD1 3.97Å; F79-I159 HydrophobicContact CZ-CG1 3.48Å; F79-I159 VanDerWaalsContact CZ-CG1 3.48Å; F79-L162 HydrophobicContact CD2-CD1 4.48Å
80A89.2Confident88.2Confident11 Ų1132.8 Ų32.89%0.09119%0.187CC..Hα-helixtrans-57.2-55-179.300000111.3A76 T77 F82 V83 G84 L134 T138A76-A80 WeakPolarHBondContact O-CB 3.37Å; A76-A80 PolarHBondContact O-N 3.43Å; T77-A80 PolarHBondContact O-N 2.91Å; A80-F82 VanDerWaalsContact C-N 3.29Å; A80-F82 PolarHBondContact O-N 3.41Å; A80-V83 PolarHBondContact O-N 3.07Å; A80-G84 PolarHBondContact O-N 3.15Å; A80-L134 VanDerWaalsContact C-CD1 3.46Å; A80-L134 HydrophobicContact CB-CD1 4.1Å; A80-L134 HydrophobicContact CB-CD2 3.97Å; A80-L134 HydrophobicContact CB-CG 3.77Å; A80-L134 WeakPolarHBondContact O-CD1 3.49Å; A80-L134 WeakPolarHBondContact O-CG 3.47Å; A80-T138 WeakPolarHBondContact CA-OG1 3.4Å; A80-T138 HydrophobicContact CB-CG2 4.24Å; A80-T138 VanDerWaalsContact CB-OG1 3.28Å; A80-T138 WeakPolarHBondContact CB-OG1 3.36Å
81F90Very high88.8Confident102 Ų10233 Ų3345%0.44719%0.186SC..Hα-helixtrans-60-42.2179-80.5-66.1000111.8A54 T77 F85A54-F81 HydrophobicContact CB-CB 4.06Å; T77-F81 HydrophobicContact CG2-CD2 3.67Å; T77-F81 HydrophobicContact CG2-CE2 3.53Å; T77-F81 VanDerWaalsContact O-CD2 3.23Å; T77-F81 WeakPolarHBondContact O-CD2 3.18Å; T77-F81 PolarHBondContact O-N 3.36Å; T77-F81 VanDerWaalsContact O-N 3.08Å; F81-F85 HydrophobicContact CB-CD2 4.25Å; F81-F85 HydrophobicContact CB-CE2 4.3Å; F81-F85 HydrophobicContact CD1-CD2 4.35Å; F81-F85 AromaticContact CD1-CE2 3.69Å; F81-F85 HydrophobicContact CD1-CE2 3.69Å; F81-F85 HydrophobicContact CD1-CZ 4.46Å; F81-F85 HydrophobicContact CG-CE2 4.42Å; F81-F85 WeakPolarHBondContact O-CB 3.41Å; F81-F85 WeakPolarHBondContact O-CD2 3.38Å; F81-F85 PolarHBondContact O-N 2.91Å
82F87.4Confident89.4Confident11 Ų1130.2 Ų30.25%0.04817%0.166CC..Hα-helixtrans-57.2-58.1179.1175.2-116000112.5Y51 I55 Q78 F79 A80 G84 F85 V86 F156 Y256 T257Y51-F82 HydrophobicContact CD2-CE2 4.45Å; I55-F82 HydrophobicContact CD1-CB 4.3Å; I55-F82 HydrophobicContact CD1-CD2 3.19Å; I55-F82 HydrophobicContact CD1-CE2 3.39Å; I55-F82 HydrophobicContact CD1-CG 3.78Å; I55-F82 HydrophobicContact CD1-CZ 4.05Å; I55-F82 HydrophobicContact CG1-CD2 4.25Å; Q78-F82 VanDerWaalsContact O-CB 3.24Å; Q78-F82 WeakPolarHBondContact O-CB 3.39Å; Q78-F82 PolarHBondContact O-N 3.47Å; F79-F82 WeakPolarHBondContact O-CB 3.46Å; F79-F82 PolarHBondContact O-N 3.23Å; A80-F82 VanDerWaalsContact C-N 3.29Å; A80-F82 PolarHBondContact O-N 3.41Å; F82-G84 PolarHBondContact O-N 3.39Å; F82-F85 PolarHBondContact O-N 2.82Å; F82-V86 HydrophobicContact CD2-CG2 4.03Å; F82-V86 HydrophobicContact CE2-CG2 3.76Å; F82-V86 HydrophobicContact CZ-CG2 4.22Å; F82-V86 VanDerWaalsContact O-CG2 3.3Å; F82-V86 WeakPolarHBondContact O-CG2 3.46Å; F82-V86 PolarHBondContact O-N 3.1Å; F82-F156 HydrophobicContact CD1-CE2 4.21Å; F82-F156 AromaticContact CE1-CE2 3.76Å; F82-F156 HydrophobicContact CE1-CE2 3.76Å; F82-F156 HydrophobicContact CE1-CZ 4.28Å; F82-F156 AromaticContact CZ-CE2 3.96Å; F82-F156 HydrophobicContact CZ-CE2 3.96Å; F82-F156 HydrophobicContact CZ-CZ 4.06Å; F82-Y256 HydrophobicContact CE1-CE2 4.27Å; F82-Y256 HydrophobicContact CE2-CE2 4.1Å; F82-Y256 HydrophobicContact CZ-CD2 4.39Å; F82-Y256 AromaticContact CZ-CE2 3.36Å; F82-Y256 HydrophobicContact CZ-CE2 3.36Å; F82-Y256 AromaticContact CZ-CZ 3.76Å; F82-Y256 WeakPolarHBondContact CZ-OH 3.35Å; F82-T257 HydrophobicContact CD2-CG2 4.4Å; F82-T257 HydrophobicContact CE2-CG2 3.27Å; F82-T257 HydrophobicContact CZ-CG2 3.36Å
83V87.3Confident90Very high13 Ų1324.6 Ų24.68%0.07914%0.141CC..Hα-helixtrans-60.9-46.8-178.81730000110.9F79 A80 F85 V86 D87 H137F79-V83 HydrophobicContact CD2-CG2 4.18Å; F79-V83 HydrophobicContact CE1-CG2 4.06Å; F79-V83 HydrophobicContact CE2-CG2 3.63Å; F79-V83 HydrophobicContact CZ-CG2 3.58Å; F79-V83 PolarHBondContact O-N 3.2Å; A80-V83 PolarHBondContact O-N 3.07Å; V83-F85 VanDerWaalsContact C-N 3.32Å; V83-F85 PolarHBondContact O-N 3.12Å; V83-V86 PolarHBondContact O-N 3.37Å; V83-D87 WeakPolarHBondContact CG1-OD2 3.04Å; V83-D87 WeakPolarHBondContact O-CB 3.46Å; V83-D87 PolarHBondContact O-N 3.22Å; V83-H137 HydrophobicContact CG1-CB 3.98Å
84G91.6Very high90.6Very high7 Ų721.2 Ų21.27%0.07212%0.118CC..Hα-helixtrans-60.9-38.9-177.800000114A80 F82 A88 G130A80-G84 PolarHBondContact O-N 3.15Å; F82-G84 PolarHBondContact O-N 3.39Å; G84-A88 WeakPolarHBondContact O-CB 3.45Å; G84-A88 PolarHBondContact O-N 2.61Å; G84-A88 VanDerWaalsContact O-N 3.12Å; G84-G130 WeakPolarHBondContact CA-O 3.36Å; G84-G130 WeakPolarHBondContact O-CA 3.43Å
85F92.4Very high91.1Very high38 Ų3818.6 Ų18.617%0.16710%0.1CC..Hα-helixtrans-75-41.2177.3-80.7-55.8000112.3F46 V47 Y51 F81 F82 V83 D87 A88 E89F46-F85 HydrophobicContact CE1-CE1 4.11Å; V47-F85 HydrophobicContact CB-CD1 4.3Å; V47-F85 HydrophobicContact CG1-CB 3.96Å; V47-F85 HydrophobicContact CG1-CD1 4.06Å; V47-F85 HydrophobicContact CG1-CG 4.45Å; V47-F85 WeakPolarHBondContact CG1-O 3.4Å; V47-F85 HydrophobicContact CG2-CD1 4.22Å; Y51-F85 HydrophobicContact CD1-CB 4Å; Y51-F85 HydrophobicContact CG-CB 4.42Å; F81-F85 HydrophobicContact CB-CD2 4.25Å; F81-F85 HydrophobicContact CB-CE2 4.3Å; F81-F85 HydrophobicContact CD1-CD2 4.35Å; F81-F85 AromaticContact CD1-CE2 3.69Å; F81-F85 HydrophobicContact CD1-CE2 3.69Å; F81-F85 HydrophobicContact CD1-CZ 4.46Å; F81-F85 HydrophobicContact CG-CE2 4.42Å; F81-F85 WeakPolarHBondContact O-CB 3.41Å; F81-F85 WeakPolarHBondContact O-CD2 3.38Å; F81-F85 PolarHBondContact O-N 2.91Å; F82-F85 PolarHBondContact O-N 2.82Å; V83-F85 VanDerWaalsContact C-N 3.32Å; V83-F85 PolarHBondContact O-N 3.12Å; F85-D87 VanDerWaalsContact C-N 3.32Å; F85-D87 PolarHBondContact O-N 3.26Å; F85-A88 WeakPolarHBondContact O-CB 3.45Å; F85-A88 PolarHBondContact O-N 2.9Å; F85-E89 PolarHBondContact O-N 3.39Å
86V88.8Confident91.6Very high24 Ų2418.4 Ų18.415%0.14510%0.099CC..Hα-helixtrans-60.1-43.5175.9169.90000110.9Y51 F82 V83 A88 E89 C90 F229Y51-V86 HydrophobicContact CG-CG2 4.46Å; F82-V86 HydrophobicContact CD2-CG2 4.03Å; F82-V86 HydrophobicContact CE2-CG2 3.76Å; F82-V86 HydrophobicContact CZ-CG2 4.22Å; F82-V86 VanDerWaalsContact O-CG2 3.3Å; F82-V86 WeakPolarHBondContact O-CG2 3.46Å; F82-V86 PolarHBondContact O-N 3.1Å; V83-V86 PolarHBondContact O-N 3.37Å; V86-A88 PolarHBondContact O-N 3.44Å; V86-E89 WeakPolarHBondContact O-CB 3.37Å; V86-E89 PolarHBondContact O-N 2.9Å; V86-C90 PolarHBondContact O-N 2.84Å; V86-C90 VanDerWaalsContact O-N 3.1Å; V86-C90 PolarHBondContact O-SG 2.73Å; V86-C90 VanDerWaalsContact O-SG 3.42Å; V86-F229 HydrophobicContact CG1-CZ 4.13Å
87D91.7Very high92Very high10 Ų1017.6 Ų17.65%0.0539%0.093CC..Hα-helixtrans-67.1-37.9177.1-69.5-32.5000112.2V83 F85 E89 C90 Y91 S133 I184V83-D87 WeakPolarHBondContact CG1-OD2 3.04Å; V83-D87 WeakPolarHBondContact O-CB 3.46Å; V83-D87 PolarHBondContact O-N 3.22Å; F85-D87 VanDerWaalsContact C-N 3.32Å; F85-D87 PolarHBondContact O-N 3.26Å; D87-E89 VanDerWaalsContact C-N 3.33Å; D87-E89 PolarHBondContact O-N 3.3Å; D87-C90 WeakPolarHBondContact O-CB 3.42Å; D87-C90 PolarHBondContact O-N 3.16Å; D87-Y91 WeakPolarHBondContact O-CD2 3.35Å; D87-Y91 PolarHBondContact O-N 3Å; D87-S133 WeakPolarHBondContact OD2-CB 3.25Å; D87-S133 PolarHBondContact OD2-OG 3.03Å; D87-I184 HydrophobicContact CB-CD1 4.4Å
88A94.5Very high92.3Very high2 Ų218.1 Ų18.12%0.0179%0.087CC..Hα-helixtrans-62-40.4172.200000111.6V47 G84 F85 V86 C90 Y91 V92 Y127V47-A88 HydrophobicContact CG2-CB 4.36Å; G84-A88 WeakPolarHBondContact O-CB 3.45Å; G84-A88 PolarHBondContact O-N 2.61Å; G84-A88 VanDerWaalsContact O-N 3.12Å; F85-A88 WeakPolarHBondContact O-CB 3.45Å; F85-A88 PolarHBondContact O-N 2.9Å; V86-A88 PolarHBondContact O-N 3.44Å; A88-C90 PolarHBondContact O-N 3.12Å; A88-Y91 PolarHBondContact O-N 3.45Å; A88-V92 VanDerWaalsContact O-CG2 3.26Å; A88-V92 WeakPolarHBondContact O-CG2 3.49Å; A88-V92 PolarHBondContact O-N 2.8Å; A88-Y127 HydrophobicContact CB-CD1 4.15Å
89E92.7Very high92.5Very high0 Ų017.6 Ų17.60%08%0.084CC..Hα-helixtrans-57.7-46175.3172.1166.5-16300111.3L44 V47 Y51 F85 V86 D87 Y91 V92 L93 F229 N264L44-E89 HydrophobicContact CD1-CB 4.31Å; L44-E89 HydrophobicContact CD1-CG 3.65Å; V47-E89 HydrophobicContact CG1-CB 3.84Å; Y51-E89 WeakPolarHBondContact CE1-OE2 3.48Å; Y51-E89 PolarHBondContact OH-OE2 3.07Å; F85-E89 PolarHBondContact O-N 3.39Å; V86-E89 WeakPolarHBondContact O-CB 3.37Å; V86-E89 PolarHBondContact O-N 2.9Å; D87-E89 VanDerWaalsContact C-N 3.33Å; D87-E89 PolarHBondContact O-N 3.3Å; E89-Y91 VanDerWaalsContact C-N 3.32Å; E89-Y91 PolarHBondContact O-N 3.4Å; E89-V92 PolarHBondContact O-N 3.25Å; E89-V92 VanDerWaalsContact O-N 3.15Å; E89-L93 HydrophobicContact CG-CD1 3.99Å; E89-L93 HydrophobicContact CG-CG 4.26Å; E89-L93 WeakPolarHBondContact O-CG 3.08Å; E89-L93 PolarHBondContact O-N 3.05Å; E89-F229 HydrophobicContact CG-CD2 4.32Å; E89-F229 HydrophobicContact CG-CE2 3.87Å; E89-F229 HydrophobicContact CG-CZ 4.09Å; E89-F229 WeakPolarHBondContact OE1-CD2 3.46Å; E89-F229 VanDerWaalsContact OE2-CE2 3.26Å; E89-F229 WeakPolarHBondContact OE2-CE2 3.26Å; E89-N264 PolarHBondContact OE1-ND2 2.68Å
90C93.3Very high92.8Very high3 Ų319.2 Ų19.22%0.029%0.09CC..Hα-helixtrans-53.6-47.8175.9-67.20000112.2V86 D87 A88 L93 A94 I184 T188 F229V86-C90 PolarHBondContact O-N 2.84Å; V86-C90 VanDerWaalsContact O-N 3.1Å; V86-C90 PolarHBondContact O-SG 2.73Å; V86-C90 VanDerWaalsContact O-SG 3.42Å; D87-C90 WeakPolarHBondContact O-CB 3.42Å; D87-C90 PolarHBondContact O-N 3.16Å; A88-C90 PolarHBondContact O-N 3.12Å; C90-L93 PolarHBondContact O-N 3.18Å; C90-A94 PolarHBondContact O-N 3.41Å; C90-I184 HydrophobicContact CB-CG2 4.27Å; C90-T188 HydrophobicContact CB-CG2 4.03Å; C90-F229 VanDerWaalsContact SG-CE1 3.55Å
91Y95.6Very high93Very high51 Ų5120.5 Ų20.520%0.29%0.094CC..Hα-helixtrans-70-35.9178.8-71.1-64000112.9D87 A88 E89 A94 A95 S126 A129 I184 T188D87-Y91 WeakPolarHBondContact O-CD2 3.35Å; D87-Y91 PolarHBondContact O-N 3Å; A88-Y91 PolarHBondContact O-N 3.45Å; E89-Y91 VanDerWaalsContact C-N 3.32Å; E89-Y91 PolarHBondContact O-N 3.4Å; Y91-A94 PolarHBondContact O-N 2.96Å; Y91-A95 WeakPolarHBondContact O-CB 3.45Å; Y91-A95 PolarHBondContact O-N 3.39Å; Y91-S126 WeakPolarHBondContact CB-OG 3.48Å; Y91-A129 HydrophobicContact CD2-CB 3.68Å; Y91-A129 HydrophobicContact CE2-CB 3.37Å; Y91-I184 HydrophobicContact CE2-CG2 3.92Å; Y91-T188 HydrophobicContact CD1-CG2 3.61Å; Y91-T188 HydrophobicContact CE1-CG2 3.75Å; Y91-T188 HydrophobicContact CG-CG2 4.25Å
92V95.3Very high93.3Very high0 Ų016.2 Ų16.20%08%0.076CC..Hα-helixtrans-64.3-44174.9172.40000110.9L44 A88 E89 A94 A95 M96 M123L44-V92 HydrophobicContact CB-CG1 3.99Å; L44-V92 HydrophobicContact CD1-CG1 4.29Å; A88-V92 VanDerWaalsContact O-CG2 3.26Å; A88-V92 WeakPolarHBondContact O-CG2 3.49Å; A88-V92 PolarHBondContact O-N 2.8Å; E89-V92 PolarHBondContact O-N 3.25Å; E89-V92 VanDerWaalsContact O-N 3.15Å; V92-A94 VanDerWaalsContact C-N 3.31Å; V92-A94 PolarHBondContact O-N 3.21Å; V92-A95 PolarHBondContact O-N 2.83Å; V92-M96 HydrophobicContact CG1-CG 4.45Å; V92-M96 HydrophobicContact CG1-SD 3.96Å; V92-M96 VanDerWaalsContact O-CG 3.26Å; V92-M96 WeakPolarHBondContact O-CG 3.31Å; V92-M96 PolarHBondContact O-N 2.88Å; V92-M123 HydrophobicContact CG2-CE 3.58Å; V92-M123 HydrophobicContact CG2-SD 3.84Å
93L94.1Very high93.5Very high1 Ų117.2 Ų17.21%0.0059%0.086CC..Hα-helixtrans-61.6-39.2175-69.6174.8000111.8L44 E89 C90 M96 A97 I192 H222 V226 F229 Y230L44-L93 HydrophobicContact CD1-CD2 4.49Å; L44-L93 HydrophobicContact CD2-CD2 4.16Å; E89-L93 HydrophobicContact CG-CD1 3.99Å; E89-L93 HydrophobicContact CG-CG 4.26Å; E89-L93 WeakPolarHBondContact O-CG 3.08Å; E89-L93 PolarHBondContact O-N 3.05Å; C90-L93 PolarHBondContact O-N 3.18Å; L93-M96 HydrophobicContact CD2-SD 4.42Å; L93-M96 PolarHBondContact O-N 2.94Å; L93-A97 PolarHBondContact O-N 3.4Å; L93-I192 HydrophobicContact CB-CD1 4.32Å; L93-H222 PolarHBondContact O-CE1 2.92Å; L93-H222 PolarHBondContact O-NE2 3.42Å; L93-V226 HydrophobicContact CD2-CG2 4.39Å; L93-F229 HydrophobicContact CD1-CB 4.3Å; L93-F229 HydrophobicContact CD1-CD1 3.87Å; L93-F229 HydrophobicContact CD1-CE1 4.38Å; L93-F229 HydrophobicContact CD1-CG 4.02Å; L93-Y230 HydrophobicContact CD1-CE2 4.22Å
94A95.8Very high93.7Very high5 Ų518.1 Ų18.14%0.0419%0.09CC..Hα-helixtrans-65.1-42.3173.400000112.2C90 Y91 V92 M96 A97 Y98 T188 I191 I192C90-A94 PolarHBondContact O-N 3.41Å; Y91-A94 PolarHBondContact O-N 2.96Å; V92-A94 VanDerWaalsContact C-N 3.31Å; V92-A94 PolarHBondContact O-N 3.21Å; A94-M96 VanDerWaalsContact C-N 3.34Å; A94-M96 PolarHBondContact O-N 3.45Å; A94-A97 WeakPolarHBondContact O-CB 3.32Å; A94-A97 PolarHBondContact O-N 3.2Å; A94-Y98 PolarHBondContact O-N 2.97Å; A94-T188 HydrophobicContact CB-CG2 4.19Å; A94-I191 HydrophobicContact CB-CB 4.33Å; A94-I191 HydrophobicContact CB-CG2 4.07Å; A94-I192 HydrophobicContact CB-CG1 4.36Å
95A96.1Very high93.7Very high6 Ų619.2 Ų19.25%0.0510%0.096CC..Hα-helixtrans-63.7-38.9175.700000112.1F40 Y91 V92 Y98 D99 L122F40-A95 HydrophobicContact CD1-CB 4.2Å; F40-A95 HydrophobicContact CE1-CB 3.91Å; F40-A95 HydrophobicContact CZ-CB 4.28Å; Y91-A95 WeakPolarHBondContact O-CB 3.45Å; Y91-A95 PolarHBondContact O-N 3.39Å; V92-A95 PolarHBondContact O-N 2.83Å; A95-Y98 PolarHBondContact O-N 3.39Å; A95-D99 PolarHBondContact O-N 3.31Å; A95-L122 HydrophobicContact CB-CB 4.38Å; A95-L122 HydrophobicContact CB-CD1 4.49Å
96M95.1Very high93.6Very high0 Ų021.6 Ų21.60%011%0.108CC..Hα-helixtrans-64.1-41.3173.5-70.6169.977.900111.7M37 F40 L41 L44 V92 L93 A94 Y98 D99 R100 H222 Y268M37-M96 HydrophobicContact CE-CE 3.29Å; M37-M96 HydrophobicContact SD-CB 4.28Å; M37-M96 HydrophobicContact SD-CE 4.03Å; M37-M96 HydrophobicContact SD-CG 4.37Å; F40-M96 HydrophobicContact CB-CG 3.4Å; F40-M96 VanDerWaalsContact CB-CG 3.4Å; F40-M96 HydrophobicContact CB-SD 4.11Å; F40-M96 HydrophobicContact CD2-CG 4.36Å; F40-M96 HydrophobicContact CG-CG 4.03Å; L41-M96 HydrophobicContact CB-CE 4.46Å; L41-M96 HydrophobicContact CD1-CE 4.28Å; L44-M96 HydrophobicContact CD2-CE 4.36Å; L44-M96 HydrophobicContact CD2-SD 4.09Å; V92-M96 HydrophobicContact CG1-CG 4.45Å; V92-M96 HydrophobicContact CG1-SD 3.96Å; V92-M96 VanDerWaalsContact O-CG 3.26Å; V92-M96 WeakPolarHBondContact O-CG 3.31Å; V92-M96 PolarHBondContact O-N 2.88Å; L93-M96 HydrophobicContact CD2-SD 4.42Å; L93-M96 PolarHBondContact O-N 2.94Å; A94-M96 VanDerWaalsContact C-N 3.34Å; A94-M96 PolarHBondContact O-N 3.45Å; M96-Y98 VanDerWaalsContact C-N 3.32Å; M96-Y98 PolarHBondContact O-N 2.98Å; M96-D99 PolarHBondContact O-N 3.36Å; M96-R100 WeakPolarHBondContact O-CG 3.28Å; M96-R100 PolarHBondContact O-N 3.07Å; M96-R100 VanDerWaalsContact O-N 3.08Å; M96-H222 VanDerWaalsContact CB-NE2 3.32Å; M96-H222 WeakPolarHBondContact CB-NE2 3.34Å; M96-Y268 HydrophobicContact CE-CE1 3.9Å
97A95.3Very high93.6Very high0 Ų024.5 Ų24.50%013%0.127CC..Hα-helixtrans-62-41.2173.400000112L93 A94 R100 F101 I192 Y196L93-A97 PolarHBondContact O-N 3.4Å; A94-A97 WeakPolarHBondContact O-CB 3.32Å; A94-A97 PolarHBondContact O-N 3.2Å; A97-R100 PolarHBondContact O-N 3.45Å; A97-F101 WeakPolarHBondContact O-CB 3.38Å; A97-F101 PolarHBondContact O-N 2.89Å; A97-I192 HydrophobicContact CB-CB 4.27Å; A97-I192 HydrophobicContact CB-CG1 3.85Å; A97-I192 HydrophobicContact CB-CG2 4.35Å; A97-Y196 HydrophobicContact CB-CD2 4.25Å; A97-Y196 HydrophobicContact CB-CE2 3.77Å
98Y94.8Very high93.5Very high83 Ų8331.8 Ų31.833%0.32517%0.165SC..Hα-helixtrans-64.7-42.5176.3-177.5-106.6000112.5A94 A95 M96 R100 F101 M102 I114 L122A94-Y98 PolarHBondContact O-N 2.97Å; A95-Y98 PolarHBondContact O-N 3.39Å; M96-Y98 VanDerWaalsContact C-N 3.32Å; M96-Y98 PolarHBondContact O-N 2.98Å; Y98-R100 VanDerWaalsContact C-N 3.33Å; Y98-R100 PolarHBondContact O-N 3.42Å; Y98-F101 HydrophobicContact CD2-CD1 4.15Å; Y98-F101 HydrophobicContact CE2-CD1 4.22Å; Y98-F101 WeakPolarHBondContact O-CB 3.41Å; Y98-F101 PolarHBondContact O-N 3.35Å; Y98-M102 HydrophobicContact CD1-CG 4.39Å; Y98-M102 HydrophobicContact CE1-CG 3.94Å; Y98-M102 HydrophobicContact CE2-CE 4.11Å; Y98-M102 HydrophobicContact CE2-CG 4.23Å; Y98-M102 WeakPolarHBondContact O-CG 3.33Å; Y98-M102 PolarHBondContact O-N 3.24Å; Y98-I114 HydrophobicContact CD1-CD1 3.89Å; Y98-I114 HydrophobicContact CE1-CD1 3.69Å; Y98-L122 HydrophobicContact CD1-CD1 4.4Å
99D94.7Very high93.3Very high1 Ų136.5 Ų36.51%0.00519%0.187CC..Hα-helixtrans-55.4-48.2172.1170.776.2000111.4P36 F40 A95 M96 F101 M102 A103 Y110P36-D99 WeakPolarHBondContact CB-OD1 3.36Å; F40-D99 HydrophobicContact CD2-CB 4.35Å; F40-D99 HydrophobicContact CE2-CB 4.03Å; A95-D99 PolarHBondContact O-N 3.31Å; M96-D99 PolarHBondContact O-N 3.36Å; D99-F101 VanDerWaalsContact C-N 3.32Å; D99-F101 PolarHBondContact O-N 3Å; D99-M102 PolarHBondContact O-N 2.95Å; D99-A103 WeakPolarHBondContact O-CB 3.27Å; D99-A103 PolarHBondContact O-N 3.4Å; D99-Y110 WeakPolarHBondContact OD1-CE2 3.39Å; D99-Y110 PolarHBondContact OD1-OH 3.48Å
100R93.4Very high93.2Very high35 Ų3538.7 Ų38.713%0.13220%0.195CC..Hα-helixtrans-62.9-39.4177.9-66.1-48.4-172.8-177.54.3112.6M37 M96 A97 Y98 A103 I104 I199M37-R100 HydrophobicContact SD-CG 4.39Å; M37-R100 VanDerWaalsContact SD-CZ 3.52Å; M37-R100 PolarHBondContact SD-NE 2.92Å; M96-R100 WeakPolarHBondContact O-CG 3.28Å; M96-R100 PolarHBondContact O-N 3.07Å; M96-R100 VanDerWaalsContact O-N 3.08Å; A97-R100 PolarHBondContact O-N 3.45Å; Y98-R100 VanDerWaalsContact C-N 3.33Å; Y98-R100 PolarHBondContact O-N 3.42Å; R100-A103 PolarHBondContact O-N 3.29Å; R100-I104 WeakPolarHBondContact O-CG1 3.44Å; R100-I104 PolarHBondContact O-N 3.44Å; R100-I104 VanDerWaalsContact O-N 3.1Å; R100-I199 HydrophobicContact CB-CD1 3.9Å
101F94.4Very high93Very high39 Ų3943.3 Ų43.317%0.17123%0.228CC..Hα-helixtrans-61.2-49.2175.9166.5-116.8000111A97 Y98 D99 A103 I104 C105 F198 I199A97-F101 WeakPolarHBondContact O-CB 3.38Å; A97-F101 PolarHBondContact O-N 2.89Å; Y98-F101 HydrophobicContact CD2-CD1 4.15Å; Y98-F101 HydrophobicContact CE2-CD1 4.22Å; Y98-F101 WeakPolarHBondContact O-CB 3.41Å; Y98-F101 PolarHBondContact O-N 3.35Å; D99-F101 VanDerWaalsContact C-N 3.32Å; D99-F101 PolarHBondContact O-N 3Å; F101-A103 PolarHBondContact O-N 3.23Å; F101-I104 PolarHBondContact O-N 2.85Å; F101-C105 HydrophobicContact CD2-CB 3.8Å; F101-C105 VanDerWaalsContact CD2-SG 3.51Å; F101-C105 HydrophobicContact CE2-CB 3.6Å; F101-C105 HydrophobicContact CZ-CB 4.44Å; F101-C105 VanDerWaalsContact O-CB 3.24Å; F101-C105 WeakPolarHBondContact O-CB 3.31Å; F101-C105 PolarHBondContact O-N 3.07Å; F101-F198 HydrophobicContact CD2-CB 3.79Å; F101-F198 HydrophobicContact CE2-CB 3.48Å; F101-F198 VanDerWaalsContact CE2-CB 3.48Å; F101-F198 HydrophobicContact CE2-CD2 4.11Å; F101-F198 AromaticContact CE2-CG 3.9Å; F101-F198 HydrophobicContact CE2-CG 3.9Å; F101-F198 HydrophobicContact CZ-CD2 4.49Å; F101-I199 HydrophobicContact CB-CD1 4.21Å; F101-I199 HydrophobicContact CB-CG1 4.3Å
102M94.6Very high92.6Very high11 Ų1145.8 Ų45.85%0.05425%0.249CC..Hα-helixtrans-60.8-43.1176.5-71.5-66.1103.300112.2Y98 D99 I104 Q106 Y110 L113 I114Y98-M102 HydrophobicContact CD1-CG 4.39Å; Y98-M102 HydrophobicContact CE1-CG 3.94Å; Y98-M102 HydrophobicContact CE2-CE 4.11Å; Y98-M102 HydrophobicContact CE2-CG 4.23Å; Y98-M102 WeakPolarHBondContact O-CG 3.33Å; Y98-M102 PolarHBondContact O-N 3.24Å; D99-M102 PolarHBondContact O-N 2.95Å; M102-I104 VanDerWaalsContact C-N 3.34Å; M102-I104 PolarHBondContact O-N 3.44Å; M102-Q106 HydrophobicContact CE-CG 4.39Å; M102-Q106 CarbonylContact O-C 3.24Å; M102-Q106 VanDerWaalsContact O-C 3.24Å; M102-Q106 WeakPolarHBondContact O-CA 3.44Å; M102-Q106 PolarHBondContact O-N 3.43Å; M102-Q106 VanDerWaalsContact O-N 3.12Å; M102-Y110 HydrophobicContact CB-CD2 3.84Å; M102-Y110 HydrophobicContact CB-CE2 4.28Å; M102-L113 HydrophobicContact SD-CB 4.27Å; M102-L113 HydrophobicContact SD-CD1 3.77Å; M102-I114 HydrophobicContact CB-CD1 4.31Å; M102-I114 HydrophobicContact CB-CG1 3.74Å; M102-I114 HydrophobicContact CG-CD1 4Å; M102-I114 HydrophobicContact CG-CG1 3.9Å
103A92.3Very high92.3Very high32 Ų3249.4 Ų49.426%0.26427%0.267SS..Hα-helixtrans-64.2-35.6-178.100000113.4D99 R100 F101 Y110D99-A103 WeakPolarHBondContact O-CB 3.27Å; D99-A103 PolarHBondContact O-N 3.4Å; R100-A103 PolarHBondContact O-N 3.29Å; F101-A103 PolarHBondContact O-N 3.23Å; A103-Y110 VanDerWaalsContact CA-CD2 3.45Å; A103-Y110 HydrophobicContact CB-CD2 3.86Å; A103-Y110 HydrophobicContact CB-CE2 3.68Å
104I91.6Very high92.3Very high32 Ų3249.7 Ų49.716%0.16427%0.269CS..Hα-helixtrans-95.5-44.7-174.4-64.7172.4000111.7R100 F101 M102 I199 A202 I203 A215 C219R100-I104 WeakPolarHBondContact O-CG1 3.44Å; R100-I104 PolarHBondContact O-N 3.44Å; R100-I104 VanDerWaalsContact O-N 3.1Å; F101-I104 PolarHBondContact O-N 2.85Å; M102-I104 VanDerWaalsContact C-N 3.34Å; M102-I104 PolarHBondContact O-N 3.44Å; I104-I199 HydrophobicContact CD1-CG1 4.44Å; I104-I199 HydrophobicContact CD1-CG2 3.75Å; I104-I199 HydrophobicContact CG2-CG2 4.46Å; I104-A202 HydrophobicContact CG2-CB 4Å; I104-I203 HydrophobicContact CG2-CG1 4.47Å; I104-A215 HydrophobicContact CD1-CB 4.29Å; I104-C219 WeakPolarHBondContact CD1-SG 3.27Å
105C91.2Very high92.1Very high30 Ų3051 Ų5120%0.20328%0.278CS..Hα-helixtrans-86.4-25-173-62.60000112.9F101 P107F101-C105 HydrophobicContact CD2-CB 3.8Å; F101-C105 VanDerWaalsContact CD2-SG 3.51Å; F101-C105 HydrophobicContact CE2-CB 3.6Å; F101-C105 HydrophobicContact CZ-CB 4.44Å; F101-C105 VanDerWaalsContact O-CB 3.24Å; F101-C105 WeakPolarHBondContact O-CB 3.31Å; F101-C105 PolarHBondContact O-N 3.07Å; C105-P107 VanDerWaalsContact C-CD 3.48Å
106Q90.9Very high91.9Very high88 Ų8859.4 Ų59.441%0.41131%0.313SS..  trans-133.553.8-177-65.6-63.3-33.900112.3M102 L108 H109 Y110M102-Q106 HydrophobicContact CE-CG 4.39Å; M102-Q106 CarbonylContact O-C 3.24Å; M102-Q106 VanDerWaalsContact O-C 3.24Å; M102-Q106 WeakPolarHBondContact O-CA 3.44Å; M102-Q106 PolarHBondContact O-N 3.43Å; M102-Q106 VanDerWaalsContact O-N 3.12Å; Q106-L108 VanDerWaalsContact C-N 3.27Å; Q106-L108 PolarHBondContact O-N 3.03Å; Q106-L108 VanDerWaalsContact O-N 3.16Å; Q106-H109 PolarHBondContact O-N 2.9Å; Q106-H109 VanDerWaalsContact O-N 3.07Å; Q106-Y110 PolarHBondContact O-N 2.99Å
107P87.9Confident91.8Very high86 Ų8666.9 Ų66.956%0.55835%0.348SS*.THydrogen-bonded Turntrans-61-31.9-170.924.7-34.8000113.8C105 H109C105-P107 VanDerWaalsContact C-CD 3.48Å; P107-H109 VanDerWaalsContact C-N 3.33Å; P107-H109 PolarHBondContact O-N 3.33Å
108L89.9Confident91.8Very high163 Ų16369.3 Ų69.385%0.85336%0.363SS*.THydrogen-bonded Turntrans-70.5-28.3179.3-67173.4000113.2Q106Q106-L108 VanDerWaalsContact C-N 3.27Å; Q106-L108 PolarHBondContact O-N 3.03Å; Q106-L108 VanDerWaalsContact O-N 3.16Å
109H90.8Very high91.8Very high100 Ų10065.6 Ų65.646%0.46335%0.349SS..THydrogen-bonded Turntrans-104.1-1.3-178.6-65-72.5000112.9Q106 P107 S111 T112 L113Q106-H109 PolarHBondContact O-N 2.9Å; Q106-H109 VanDerWaalsContact O-N 3.07Å; P107-H109 VanDerWaalsContact C-N 3.33Å; P107-H109 PolarHBondContact O-N 3.33Å; H109-S111 PolarHBondContact O-N 3.03Å; H109-T112 PolarHBondContact O-N 2.65Å; H109-T112 PolarHBondContact O-OG1 3.03Å; H109-L113 HydrophobicContact CB-CD1 3.64Å; H109-L113 HydrophobicContact CB-CG 4.13Å; H109-L113 WeakPolarHBondContact O-CB 3.29Å; H109-L113 WeakPolarHBondContact O-CG 3.46Å; H109-L113 PolarHBondContact O-N 3.32Å
110Y91.5Very high91.9Very high46 Ų4669.8 Ų69.818%0.1837%0.371CS..Hα-helixtrans-55-50.3-174.9177.2-104.1000112.3P36 D99 M102 A103 Q106 T112 L113 I114P36-Y110 WeakPolarHBondContact CG-OH 3.34Å; D99-Y110 WeakPolarHBondContact OD1-CE2 3.39Å; D99-Y110 PolarHBondContact OD1-OH 3.48Å; M102-Y110 HydrophobicContact CB-CD2 3.84Å; M102-Y110 HydrophobicContact CB-CE2 4.28Å; A103-Y110 VanDerWaalsContact CA-CD2 3.45Å; A103-Y110 HydrophobicContact CB-CD2 3.86Å; A103-Y110 HydrophobicContact CB-CE2 3.68Å; Q106-Y110 PolarHBondContact O-N 2.99Å; Y110-T112 PolarHBondContact O-N 3.29Å; Y110-L113 PolarHBondContact O-N 2.93Å; Y110-I114 HydrophobicContact CD2-CB 4.15Å; Y110-I114 HydrophobicContact CD2-CG1 4Å; Y110-I114 HydrophobicContact CE2-CB 3.81Å; Y110-I114 HydrophobicContact CE2-CG1 3.77Å; Y110-I114 HydrophobicContact CE2-CG2 4.09Å; Y110-I114 PolarHBondContact O-N 3.11Å
111S87.6Confident92Very high100 Ų10071 Ų7170%0.69939%0.388SS*.Hα-helixtrans-64.9-25.7-176.7-54.40000114H109H109-S111 PolarHBondContact O-N 3.03Å
112T88.2Confident92.1Very high104 Ų10471.8 Ų71.864%0.63839%0.394SS*.Hα-helixtrans-87-35.917749.70000112.2H109 Y110H109-T112 PolarHBondContact O-N 2.65Å; H109-T112 PolarHBondContact O-OG1 3.03Å; Y110-T112 PolarHBondContact O-N 3.29Å
113L88.7Confident92.2Very high76 Ų7671.5 Ų71.540%0.39839%0.392SS..Hα-helixtrans-85.1-35.3-176.5-66.7173.8000112.8M102 H109 Y110M102-L113 HydrophobicContact SD-CB 4.27Å; M102-L113 HydrophobicContact SD-CD1 3.77Å; H109-L113 HydrophobicContact CB-CD1 3.64Å; H109-L113 HydrophobicContact CB-CG 4.13Å; H109-L113 WeakPolarHBondContact O-CB 3.29Å; H109-L113 WeakPolarHBondContact O-CG 3.46Å; H109-L113 PolarHBondContact O-N 3.32Å; Y110-L113 PolarHBondContact O-N 2.93Å
114I93Very high92.4Very high7 Ų775 Ų754%0.03641%0.407CS..SBendtrans-107.668.9174.2-58.8-65000108.2P36 Y98 M102 Y110P36-I114 HydrophobicContact CB-CG2 3.55Å; P36-I114 HydrophobicContact CG-CG2 3.65Å; Y98-I114 HydrophobicContact CD1-CD1 3.89Å; Y98-I114 HydrophobicContact CE1-CD1 3.69Å; M102-I114 HydrophobicContact CB-CD1 4.31Å; M102-I114 HydrophobicContact CB-CG1 3.74Å; M102-I114 HydrophobicContact CG-CD1 4Å; M102-I114 HydrophobicContact CG-CG1 3.9Å; Y110-I114 HydrophobicContact CD2-CB 4.15Å; Y110-I114 HydrophobicContact CD2-CG1 4Å; Y110-I114 HydrophobicContact CE2-CB 3.81Å; Y110-I114 HydrophobicContact CE2-CG1 3.77Å; Y110-I114 HydrophobicContact CE2-CG2 4.09Å; Y110-I114 PolarHBondContact O-N 3.11Å
115S93.1Very high92.7Very high33 Ų3375.3 Ų75.323%0.23142%0.417CS..  trans-82.5164.5171.881.50000110.7Q117 V118 C119S115-Q117 PolarHBondContact O-N 3.32Å; S115-Q117 PolarHBondContact OG-N 3.31Å; S115-V118 PolarHBondContact O-N 2.8Å; S115-V118 VanDerWaalsContact O-N 3.07Å; S115-V118 PolarHBondContact OG-N 2.85Å; S115-C119 PolarHBondContact O-N 3.34Å; S115-C119 PolarHBondContact O-SG 3.35Å; S115-C119 VanDerWaalsContact O-SG 3.4Å
116K91.1Very high92.9Very high182 Ų18274.3 Ų74.379%0.79141%0.41SS*.Hα-helixtrans-54.7-37.5174.3-68.5-175.7178.4-178.20112.5C119 L120K116-C119 PolarHBondContact O-N 2.87Å; K116-L120 WeakPolarHBondContact O-CB 3.34Å; K116-L120 VanDerWaalsContact O-CG 3.25Å; K116-L120 WeakPolarHBondContact O-CG 3.15Å; K116-L120 PolarHBondContact O-N 3.06Å
117Q93.9Very high93.1Very high157 Ų15773.1 Ų73.173%0.73440%0.403SS*.Hα-helixtrans-66.4-40.2179-68170.8-13.700111.4S115 L120 A121S115-Q117 PolarHBondContact O-N 3.32Å; S115-Q117 PolarHBondContact OG-N 3.31Å; Q117-L120 PolarHBondContact O-N 3.11Å; Q117-A121 WeakPolarHBondContact O-CB 3.19Å; Q117-A121 PolarHBondContact O-N 3.33Å
118V94.7Very high93.6Very high51 Ų5174.1 Ų74.131%0.30940%0.403SS..Hα-helixtrans-66.6-44.8176.2175.70000110.6S115 L120 A121 L122S115-V118 PolarHBondContact O-N 2.8Å; S115-V118 VanDerWaalsContact O-N 3.07Å; S115-V118 PolarHBondContact OG-N 2.85Å; V118-L120 VanDerWaalsContact C-N 3.31Å; V118-L120 PolarHBondContact O-N 2.86Å; V118-A121 PolarHBondContact O-N 3.29Å; V118-L122 HydrophobicContact CG1-CD1 4Å; V118-L122 HydrophobicContact CG1-CG 4.33Å; V118-L122 WeakPolarHBondContact O-CB 3.33Å; V118-L122 WeakPolarHBondContact O-CG 3.14Å; V118-L122 PolarHBondContact O-N 2.83Å
119C95.1Very high93.7Very high5 Ų567.7 Ų67.73%0.03437%0.373CS..Hα-helixtrans-58.2-43.8174.9-63.40000112.2F39 F40 S115 K116 L122 M123F39-C119 HydrophobicContact CD1-CB 3.85Å; F39-C119 HydrophobicContact CE1-CB 3.9Å; F40-C119 HydrophobicContact CE1-CB 4.49Å; F40-C119 HydrophobicContact CZ-CB 4.03Å; S115-C119 PolarHBondContact O-N 3.34Å; S115-C119 PolarHBondContact O-SG 3.35Å; S115-C119 VanDerWaalsContact O-SG 3.4Å; K116-C119 PolarHBondContact O-N 2.87Å; C119-L122 PolarHBondContact O-N 3.26Å; C119-M123 WeakPolarHBondContact O-CG 3.31Å; C119-M123 PolarHBondContact O-N 3.23Å
120L95.3Very high93.9Very high89 Ų8963 Ų6347%0.46635%0.352SS..Hα-helixtrans-63.2-43.8175.8-73.7167.4000111.6F39 K116 Q117 V118 M123 L124F39-L120 HydrophobicContact CE2-CD2 4.39Å; F39-L120 HydrophobicContact CZ-CD2 3.85Å; K116-L120 WeakPolarHBondContact O-CB 3.34Å; K116-L120 VanDerWaalsContact O-CG 3.25Å; K116-L120 WeakPolarHBondContact O-CG 3.15Å; K116-L120 PolarHBondContact O-N 3.06Å; Q117-L120 PolarHBondContact O-N 3.11Å; V118-L120 VanDerWaalsContact C-N 3.31Å; V118-L120 PolarHBondContact O-N 2.86Å; L120-M123 PolarHBondContact O-N 3.43Å; L120-L124 WeakPolarHBondContact O-CB 3.28Å; L120-L124 VanDerWaalsContact O-CG 3.27Å; L120-L124 WeakPolarHBondContact O-CG 3.43Å; L120-L124 PolarHBondContact O-N 2.86Å
121A96.7Very high94Very high60 Ų6065.4 Ų65.450%0.49637%0.368SS..Hα-helixtrans-62.8-43.2177.500000112Q117 V118 M123 L124 G125Q117-A121 WeakPolarHBondContact O-CB 3.19Å; Q117-A121 PolarHBondContact O-N 3.33Å; V118-A121 PolarHBondContact O-N 3.29Å; A121-M123 VanDerWaalsContact C-N 3.34Å; A121-M123 PolarHBondContact O-N 3.34Å; A121-L124 PolarHBondContact O-N 3.2Å; A121-G125 PolarHBondContact O-N 2.89Å
122L96.1Very high94.3Very high55 Ų5565.7 Ų65.729%0.28837%0.365SS..Hα-helixtrans-62-41.9175.7-72.2171.2000111.6F40 A95 Y98 V118 C119 S126F40-L122 HydrophobicContact CE1-CB 4.12Å; F40-L122 HydrophobicContact CZ-CB 4.38Å; F40-L122 HydrophobicContact CZ-CD1 3.97Å; A95-L122 HydrophobicContact CB-CB 4.38Å; A95-L122 HydrophobicContact CB-CD1 4.49Å; Y98-L122 HydrophobicContact CD1-CD1 4.4Å; V118-L122 HydrophobicContact CG1-CD1 4Å; V118-L122 HydrophobicContact CG1-CG 4.33Å; V118-L122 WeakPolarHBondContact O-CB 3.33Å; V118-L122 WeakPolarHBondContact O-CG 3.14Å; V118-L122 PolarHBondContact O-N 2.83Å; C119-L122 PolarHBondContact O-N 3.26Å; L122-S126 WeakPolarHBondContact O-CB 3.36Å; L122-S126 PolarHBondContact O-N 2.97Å; L122-S126 PolarHBondContact O-OG 3.29Å
123M96.9Very high94.5Very high5 Ų561.1 Ų61.13%0.02534%0.337CS..Hα-helixtrans-67.8-45.8176.5-78.3-52.4-40.300112.9F39 F40 N43 V92 C119 L120 A121 G125 S126 Y127F39-M123 HydrophobicContact CD1-CG 4.22Å; F39-M123 HydrophobicContact CE1-CB 4.2Å; F39-M123 HydrophobicContact CE1-CG 3.33Å; F39-M123 HydrophobicContact CZ-CB 4.38Å; F39-M123 HydrophobicContact CZ-CG 3.83Å; F40-M123 HydrophobicContact CD1-CG 3.97Å; F40-M123 HydrophobicContact CD1-SD 3.56Å; F40-M123 VanDerWaalsContact CD1-SD 3.56Å; F40-M123 HydrophobicContact CE1-CG 4Å; F40-M123 HydrophobicContact CE1-SD 4.06Å; N43-M123 HydrophobicContact CB-CE 3.32Å; N43-M123 HydrophobicContact CB-SD 3.73Å; N43-M123 VanDerWaalsContact CG-CE 3.5Å; V92-M123 HydrophobicContact CG2-CE 3.58Å; V92-M123 HydrophobicContact CG2-SD 3.84Å; C119-M123 WeakPolarHBondContact O-CG 3.31Å; C119-M123 PolarHBondContact O-N 3.23Å; L120-M123 PolarHBondContact O-N 3.43Å; A121-M123 VanDerWaalsContact C-N 3.34Å; A121-M123 PolarHBondContact O-N 3.34Å; M123-G125 VanDerWaalsContact C-N 3.29Å; M123-G125 PolarHBondContact O-N 3.45Å; M123-S126 WeakPolarHBondContact O-CB 3.31Å; M123-S126 PolarHBondContact O-N 2.88Å; M123-Y127 HydrophobicContact CE-CD2 4.15Å; M123-Y127 HydrophobicContact CE-CE1 4.06Å; M123-Y127 HydrophobicContact CE-CE2 3.52Å; M123-Y127 VanDerWaalsContact CE-CZ 3.47Å; M123-Y127 WeakPolarHBondContact O-CD2 3.31Å; M123-Y127 PolarHBondContact O-N 3.47Å
124L96.6Very high94.7Very high107 Ų10759.1 Ų59.156%0.5633%0.327SS*.Hα-helixtrans-60.1-42.5175.8-73.5170.5000110.7L120 A121 S126 Y127 L128L120-L124 WeakPolarHBondContact O-CB 3.28Å; L120-L124 VanDerWaalsContact O-CG 3.27Å; L120-L124 WeakPolarHBondContact O-CG 3.43Å; L120-L124 PolarHBondContact O-N 2.86Å; A121-L124 PolarHBondContact O-N 3.2Å; L124-S126 VanDerWaalsContact C-N 3.35Å; L124-S126 PolarHBondContact O-N 3.13Å; L124-Y127 PolarHBondContact O-N 3.46Å; L124-L128 VanDerWaalsContact O-CB 3.31Å; L124-L128 WeakPolarHBondContact O-CB 3.49Å; L124-L128 WeakPolarHBondContact O-CG 3.27Å; L124-L128 PolarHBondContact O-N 3.46Å
125G96.5Very high94.7Very high38 Ų3862.5 Ų62.539%0.39235%0.348SS..Hα-helixtrans-60-43.7174.200000112.4A121 M123 L128 A129A121-G125 PolarHBondContact O-N 2.89Å; M123-G125 VanDerWaalsContact C-N 3.29Å; M123-G125 PolarHBondContact O-N 3.45Å; G125-L128 PolarHBondContact O-N 2.89Å; G125-A129 VanDerWaalsContact O-CB 3.3Å; G125-A129 WeakPolarHBondContact O-CB 3.5Å; G125-A129 PolarHBondContact O-N 3.21Å
126S96.3Very high94.6Very high8 Ų862.4 Ų62.46%0.05635%0.348CS..Hα-helixtrans-61.7-45.5178-56.90000111.8Y91 L122 M123 L124 G130Y91-S126 WeakPolarHBondContact CB-OG 3.48Å; L122-S126 WeakPolarHBondContact O-CB 3.36Å; L122-S126 PolarHBondContact O-N 2.97Å; L122-S126 PolarHBondContact O-OG 3.29Å; M123-S126 WeakPolarHBondContact O-CB 3.31Å; M123-S126 PolarHBondContact O-N 2.88Å; L124-S126 VanDerWaalsContact C-N 3.35Å; L124-S126 PolarHBondContact O-N 3.13Å; S126-G130 PolarHBondContact O-N 3.14Å
127Y96.2Very high94.4Very high63 Ų6353.9 Ų53.925%0.24731%0.311CS..Hα-helixtrans-69.9-37.6177-68.4-42.8000113.4N43 V47 A88 M123 L124 G130 L131N43-Y127 WeakPolarHBondContact CB-OH 3.26Å; N43-Y127 PolarHBondContact OD1-OH 2.7Å; V47-Y127 HydrophobicContact CG2-CE1 3.67Å; A88-Y127 HydrophobicContact CB-CD1 4.15Å; M123-Y127 HydrophobicContact CE-CD2 4.15Å; M123-Y127 HydrophobicContact CE-CE1 4.06Å; M123-Y127 HydrophobicContact CE-CE2 3.52Å; M123-Y127 VanDerWaalsContact CE-CZ 3.47Å; M123-Y127 WeakPolarHBondContact O-CD2 3.31Å; M123-Y127 PolarHBondContact O-N 3.47Å; L124-Y127 PolarHBondContact O-N 3.46Å; Y127-G130 PolarHBondContact O-N 2.75Å; Y127-L131 WeakPolarHBondContact O-CB 3.35Å; Y127-L131 PolarHBondContact O-N 3.4Å
128L96.6Very high94.1Very high107 Ų10747.6 Ų47.656%0.5628%0.284SS*.Hα-helixtrans-65.3-42.3175.1-74.9171.1000111.2L124 G125 L131 V132L124-L128 VanDerWaalsContact O-CB 3.31Å; L124-L128 WeakPolarHBondContact O-CB 3.49Å; L124-L128 WeakPolarHBondContact O-CG 3.27Å; L124-L128 PolarHBondContact O-N 3.46Å; G125-L128 PolarHBondContact O-N 2.89Å; L128-L131 PolarHBondContact O-N 3.39Å; L128-V132 WeakPolarHBondContact O-CG2 3.12Å; L128-V132 PolarHBondContact O-N 2.84Å
129A93.9Very high93.7Very high29 Ų2948.8 Ų48.824%0.2429%0.292CS..Hα-helixtrans-62.9-44.6175.300000111.3Y91 G125 L131 V132 S133Y91-A129 HydrophobicContact CD2-CB 3.68Å; Y91-A129 HydrophobicContact CE2-CB 3.37Å; G125-A129 VanDerWaalsContact O-CB 3.3Å; G125-A129 WeakPolarHBondContact O-CB 3.5Å; G125-A129 PolarHBondContact O-N 3.21Å; A129-L131 VanDerWaalsContact C-N 3.33Å; A129-L131 PolarHBondContact O-N 2.96Å; A129-V132 PolarHBondContact O-N 3.08Å; A129-S133 WeakPolarHBondContact O-CB 3.3Å; A129-S133 PolarHBondContact O-N 3.42Å
130G93.7Very high93.2Very high2 Ų250.5 Ų50.52%0.02130%0.3CS..Hα-helixtrans-59.5-40.3172.600000112.9G84 S126 Y127 S133 L134G84-G130 WeakPolarHBondContact CA-O 3.36Å; G84-G130 WeakPolarHBondContact O-CA 3.43Å; S126-G130 PolarHBondContact O-N 3.14Å; Y127-G130 PolarHBondContact O-N 2.75Å; G130-S133 PolarHBondContact O-N 2.7Å; G130-L134 VanDerWaalsContact O-CB 3.26Å; G130-L134 WeakPolarHBondContact O-CB 3.11Å; G130-L134 PolarHBondContact O-N 3.37Å
131L94.4Very high92.6Very high96 Ų9646.2 Ų46.250%0.50328%0.278SS..Hα-helixtrans-66.7-44176.9-178.264.8000112.4Y127 L128 A129 S133 L134 V135Y127-L131 WeakPolarHBondContact O-CB 3.35Å; Y127-L131 PolarHBondContact O-N 3.4Å; L128-L131 PolarHBondContact O-N 3.39Å; A129-L131 VanDerWaalsContact C-N 3.33Å; A129-L131 PolarHBondContact O-N 2.96Å; L131-S133 VanDerWaalsContact C-N 3.29Å; L131-S133 PolarHBondContact O-N 3.16Å; L131-L134 WeakPolarHBondContact O-CB 3.09Å; L131-L134 PolarHBondContact O-N 2.85Å; L131-V135 WeakPolarHBondContact O-CG2 3.45Å; L131-V135 PolarHBondContact O-N 3.15Å
132V94.2Very high92Very high105 Ų10544.7 Ų44.764%0.63626%0.26SS*.Hα-helixtrans-60.7-44.7175.5169.40000109.9L128 A129 V135 A136L128-V132 WeakPolarHBondContact O-CG2 3.12Å; L128-V132 PolarHBondContact O-N 2.84Å; A129-V132 PolarHBondContact O-N 3.08Å; V132-V135 PolarHBondContact O-N 3.28Å; V132-A136 WeakPolarHBondContact O-CB 3.22Å; V132-A136 PolarHBondContact O-N 3.28Å
133S91.3Very high91.3Very high8 Ų846.4 Ų46.46%0.05628%0.277CS..Hα-helixtrans-63.7-44.3178-167.90000112.3D87 A129 G130 L131 V135 A136 H137D87-S133 WeakPolarHBondContact OD2-CB 3.25Å; D87-S133 PolarHBondContact OD2-OG 3.03Å; A129-S133 WeakPolarHBondContact O-CB 3.3Å; A129-S133 PolarHBondContact O-N 3.42Å; G130-S133 PolarHBondContact O-N 2.7Å; L131-S133 VanDerWaalsContact C-N 3.29Å; L131-S133 PolarHBondContact O-N 3.16Å; S133-V135 VanDerWaalsContact C-N 3.34Å; S133-V135 PolarHBondContact O-N 3.35Å; S133-A136 PolarHBondContact O-N 3.36Å; S133-H137 WeakPolarHBondContact O-CB 3.41Å; S133-H137 PolarHBondContact O-N 3.25Å; S133-H137 PolarHBondContact O-ND1 3.47Å; S133-H137 PolarHBondContact OG-CE1 3.49Å; S133-H137 PolarHBondContact OG-ND1 3.4Å
134L93Very high90.5Very high35 Ų3547.3 Ų47.318%0.18328%0.281CS..Hα-helixtrans-53.4-50.7173.6174.9159000111.3A80 G130 L131 T138A80-L134 VanDerWaalsContact C-CD1 3.46Å; A80-L134 HydrophobicContact CB-CD1 4.1Å; A80-L134 HydrophobicContact CB-CD2 3.97Å; A80-L134 HydrophobicContact CB-CG 3.77Å; A80-L134 WeakPolarHBondContact O-CD1 3.49Å; A80-L134 WeakPolarHBondContact O-CG 3.47Å; G130-L134 VanDerWaalsContact O-CB 3.26Å; G130-L134 WeakPolarHBondContact O-CB 3.11Å; G130-L134 PolarHBondContact O-N 3.37Å; L131-L134 WeakPolarHBondContact O-CB 3.09Å; L131-L134 PolarHBondContact O-N 2.85Å; L134-T138 WeakPolarHBondContact O-CB 3.26Å; L134-T138 PolarHBondContact O-N 3.08Å; L134-T138 PolarHBondContact O-OG1 3.4Å
135V92.9Very high89.5Confident78 Ų7846 Ų4647%0.47328%0.281SS..Hα-helixtrans-65.4-45.8-178.9172.40000110.5L131 V132 S133 T139L131-V135 WeakPolarHBondContact O-CG2 3.45Å; L131-V135 PolarHBondContact O-N 3.15Å; V132-V135 PolarHBondContact O-N 3.28Å; S133-V135 VanDerWaalsContact C-N 3.34Å; S133-V135 PolarHBondContact O-N 3.35Å; V135-T139 WeakPolarHBondContact O-CB 3.32Å; V135-T139 PolarHBondContact O-N 3.33Å; V135-T139 PolarHBondContact O-OG1 2.97Å
136A90.2Very high88.6Confident30 Ų3046.4 Ų46.425%0.24827%0.271CS..Hα-helixtrans-61.6-55.6-179.700000111.5V132 S133 T138 T139 L140 L180V132-A136 WeakPolarHBondContact O-CB 3.22Å; V132-A136 PolarHBondContact O-N 3.28Å; S133-A136 PolarHBondContact O-N 3.36Å; A136-T138 PolarHBondContact O-N 2.94Å; A136-T139 PolarHBondContact O-N 2.87Å; A136-L140 WeakPolarHBondContact O-CB 3.49Å; A136-L140 WeakPolarHBondContact O-CG 3.46Å; A136-L140 PolarHBondContact O-N 3.46Å; A136-L180 HydrophobicContact CB-CD1 4.22Å
137H87.5Confident87.5Confident3 Ų350.4 Ų50.41%0.01430%0.298CS..Hα-helixtrans-62.2-42.7-178.3-7385.4000111.9F79 V83 S133 T141 L177F79-H137 HydrophobicContact CE1-CB 3.96Å; F79-H137 HydrophobicContact CZ-CB 4.11Å; V83-H137 HydrophobicContact CG1-CB 3.98Å; S133-H137 WeakPolarHBondContact O-CB 3.41Å; S133-H137 PolarHBondContact O-N 3.25Å; S133-H137 PolarHBondContact O-ND1 3.47Å; S133-H137 PolarHBondContact OG-CE1 3.49Å; S133-H137 PolarHBondContact OG-ND1 3.4Å; H137-T141 VanDerWaalsContact O-CB 3.25Å; H137-T141 WeakPolarHBondContact O-CB 3.46Å; H137-T141 PolarHBondContact O-N 2.98Å; H137-T141 PolarHBondContact O-OG1 3.48Å; H137-L177 HydrophobicContact CB-CD2 4.01Å; H137-L177 WeakPolarHBondContact CD2-CD2 3.01Å
138T87.5Confident86.1Confident25 Ų2548.8 Ų48.815%0.15330%0.301CS..Hα-helixtrans-66.7-44.1179.5-53.90000111A80 L134 A136 T141 F142A80-T138 WeakPolarHBondContact CA-OG1 3.4Å; A80-T138 HydrophobicContact CB-CG2 4.24Å; A80-T138 VanDerWaalsContact CB-OG1 3.28Å; A80-T138 WeakPolarHBondContact CB-OG1 3.36Å; L134-T138 WeakPolarHBondContact O-CB 3.26Å; L134-T138 PolarHBondContact O-N 3.08Å; L134-T138 PolarHBondContact O-OG1 3.4Å; A136-T138 PolarHBondContact O-N 2.94Å; T138-T141 PolarHBondContact O-N 3.21Å; T138-F142 HydrophobicContact CG2-CD2 3.85Å; T138-F142 HydrophobicContact CG2-CE2 4.45Å; T138-F142 WeakPolarHBondContact O-CB 3.5Å; T138-F142 WeakPolarHBondContact O-CD2 3.24Å; T138-F142 PolarHBondContact O-N 3.42Å
139T86Confident84.5Confident77 Ų7747.8 Ų47.847%0.47230%0.303SS..Hα-helixtrans-64.3-46.6179.4-55.20000110.8V135 A136 T141 S143V135-T139 WeakPolarHBondContact O-CB 3.32Å; V135-T139 PolarHBondContact O-N 3.33Å; V135-T139 PolarHBondContact O-OG1 2.97Å; A136-T139 PolarHBondContact O-N 2.87Å; T139-T141 VanDerWaalsContact C-N 3.33Å; T139-T141 PolarHBondContact O-N 3.04Å; T139-S143 WeakPolarHBondContact O-CB 3.26Å; T139-S143 PolarHBondContact O-N 3.19Å; T139-S143 PolarHBondContact O-OG 3.16Å
140L85.1Confident83.3Confident40 Ų4052.1 Ų52.121%0.20932%0.322CS..Hα-helixtrans-63.8-37.7179.8-70.4171.1000112.8A136 L176 L177 L180A136-L140 WeakPolarHBondContact O-CB 3.49Å; A136-L140 WeakPolarHBondContact O-CG 3.46Å; A136-L140 PolarHBondContact O-N 3.46Å; L140-L176 HydrophobicContact CD1-CB 4.25Å; L140-L176 HydrophobicContact CD1-CD2 3.47Å; L140-L176 VanDerWaalsContact CD1-CD2 3.47Å; L140-L176 HydrophobicContact CD1-CG 3.68Å; L140-L176 HydrophobicContact CD2-CD2 3.61Å; L140-L176 HydrophobicContact CG-CD2 4.17Å; L140-L177 HydrophobicContact CB-CD2 3.95Å; L140-L177 HydrophobicContact CB-CG 4.27Å; L140-L177 HydrophobicContact CD1-CD2 4.02Å; L140-L177 HydrophobicContact CD1-CG 4.29Å; L140-L180 HydrophobicContact CD1-CD1 4.22Å
141T83.3Confident82.1Confident0 Ų057.7 Ų57.70%035%0.35CS..Hα-helixtrans-75.1-54.6179.4-54.40000110.2H137 T138 T139 S143 L144 Y146 L162H137-T141 VanDerWaalsContact O-CB 3.25Å; H137-T141 WeakPolarHBondContact O-CB 3.46Å; H137-T141 PolarHBondContact O-N 2.98Å; H137-T141 PolarHBondContact O-OG1 3.48Å; T138-T141 PolarHBondContact O-N 3.21Å; T139-T141 VanDerWaalsContact C-N 3.33Å; T139-T141 PolarHBondContact O-N 3.04Å; T141-S143 PolarHBondContact O-N 3.43Å; T141-L144 WeakPolarHBondContact O-CB 3.47Å; T141-L144 PolarHBondContact O-N 2.86Å; T141-Y146 VanDerWaalsContact C-OH 3.28Å; T141-Y146 WeakPolarHBondContact CG2-OH 3.46Å; T141-Y146 PolarHBondContact O-OH 2.95Å; T141-L162 HydrophobicContact CG2-CB 4.03Å; T141-L162 HydrophobicContact CG2-CD1 3.76Å
142F83.1Confident80.7Confident27 Ų2755.3 Ų55.312%0.11834%0.337CS..Hα-helixtrans-84.9-3.2-169.3-69.1-94000114.6F72 C75 A76 F79 T138 L144 L162F72-F142 HydrophobicContact CD1-CD1 4.41Å; F72-F142 HydrophobicContact CD2-CD1 4.27Å; F72-F142 HydrophobicContact CD2-CE1 4.42Å; F72-F142 HydrophobicContact CE1-CB 4.4Å; F72-F142 AromaticContact CE1-CD1 3.81Å; F72-F142 HydrophobicContact CE1-CD1 3.81Å; F72-F142 AromaticContact CE2-CD1 3.65Å; F72-F142 HydrophobicContact CE2-CD1 3.65Å; F72-F142 HydrophobicContact CE2-CE1 4.14Å; F72-F142 HydrophobicContact CZ-CB 4.07Å; F72-F142 AromaticContact CZ-CD1 3.43Å; F72-F142 HydrophobicContact CZ-CD1 3.43Å; F72-F142 VanDerWaalsContact CZ-CD1 3.43Å; F72-F142 HydrophobicContact CZ-CE1 4.34Å; F72-F142 HydrophobicContact CZ-CG 4.24Å; C75-F142 HydrophobicContact CB-CE1 4.48Å; A76-F142 HydrophobicContact CB-CD1 3.63Å; A76-F142 HydrophobicContact CB-CD2 4.1Å; A76-F142 HydrophobicContact CB-CE1 3.59Å; A76-F142 HydrophobicContact CB-CE2 4.06Å; A76-F142 HydrophobicContact CB-CG 3.92Å; A76-F142 HydrophobicContact CB-CZ 3.83Å; F79-F142 HydrophobicContact CB-CE2 3.98Å; F79-F142 HydrophobicContact CB-CZ 4.19Å; F79-F142 HydrophobicContact CD1-CD2 4.34Å; F79-F142 AromaticContact CD1-CE2 3.61Å; F79-F142 HydrophobicContact CD1-CE2 3.61Å; F79-F142 HydrophobicContact CE1-CE2 4.33Å; F79-F142 AromaticContact CG-CE2 3.86Å; F79-F142 HydrophobicContact CG-CE2 3.86Å; F79-F142 HydrophobicContact CG-CZ 4.44Å; T138-F142 HydrophobicContact CG2-CD2 3.85Å; T138-F142 HydrophobicContact CG2-CE2 4.45Å; T138-F142 WeakPolarHBondContact O-CB 3.5Å; T138-F142 WeakPolarHBondContact O-CD2 3.24Å; T138-F142 PolarHBondContact O-N 3.42Å; F142-L144 VanDerWaalsContact C-N 3.33Å; F142-L162 HydrophobicContact CE1-CD1 4.46Å; F142-L162 HydrophobicContact CE2-CD1 4.04Å; F142-L162 HydrophobicContact CZ-CD1 3.64Å
143S82.4Confident79.3Confident92 Ų9253.9 Ų53.964%0.64333%0.326SS*.THydrogen-bonded Turntrans-82.9-8.7168.7-56.90000113.6T139 T141T139-S143 WeakPolarHBondContact O-CB 3.26Å; T139-S143 PolarHBondContact O-N 3.19Å; T139-S143 PolarHBondContact O-OG 3.16Å; T141-S143 PolarHBondContact O-N 3.43Å
144L80Confident78Confident23 Ų2354.7 Ų54.712%0.1233%0.328CS..SBendtrans-72155.3176.5-65.5174000111.8T141 F142 Y146 L163 T170T141-L144 WeakPolarHBondContact O-CB 3.47Å; T141-L144 PolarHBondContact O-N 2.86Å; F142-L144 VanDerWaalsContact C-N 3.33Å; L144-Y146 HydrophobicContact CB-CE2 4.1Å; L144-Y146 WeakPolarHBondContact O-CD2 3.36Å; L144-Y146 VanDerWaalsContact O-CE2 3.29Å; L144-Y146 WeakPolarHBondContact O-CE2 3.46Å; L144-L163 HydrophobicContact CD1-CD2 3.47Å; L144-L163 VanDerWaalsContact CD1-CD2 3.47Å; L144-T170 HydrophobicContact CD1-CG2 4.13Å
145S75.7Confident76.6Confident79 Ų7955 Ų5555%0.55233%0.328SS*.  trans-87.3114.5174.7-66.80000110.4C167 S168S145-C167 PolarHBondContact O-N 2.89Å; S145-S168 PolarHBondContact N-OG 3.11Å; S145-S168 PolarHBondContact O-N 3.28Å
146Y78Confident75.4Confident48 Ų4851.5 Ų51.519%0.18831%0.307CS..BIsolated β-bridgetrans-96.1117.4178.5-62.1-88.4000110.2F72 T141 L144 L162 L165F72-Y146 AromaticContact CE2-CD2 3.88Å; F72-Y146 HydrophobicContact CE2-CD2 3.88Å; F72-Y146 AromaticContact CE2-CE2 3.95Å; F72-Y146 HydrophobicContact CE2-CE2 3.95Å; F72-Y146 HydrophobicContact CZ-CD2 4.39Å; F72-Y146 HydrophobicContact CZ-CE2 4.27Å; T141-Y146 VanDerWaalsContact C-OH 3.28Å; T141-Y146 WeakPolarHBondContact CG2-OH 3.46Å; T141-Y146 PolarHBondContact O-OH 2.95Å; L144-Y146 HydrophobicContact CB-CE2 4.1Å; L144-Y146 WeakPolarHBondContact O-CD2 3.36Å; L144-Y146 VanDerWaalsContact O-CE2 3.29Å; L144-Y146 WeakPolarHBondContact O-CE2 3.46Å; Y146-L162 HydrophobicContact CE1-CB 4.37Å; Y146-L162 VanDerWaalsContact CE1-O 3.32Å; Y146-L162 WeakPolarHBondContact CE1-O 3.48Å; Y146-L165 HydrophobicContact CD1-CB 4.14Å
147C72.1Confident74.5Confident92 Ų9250.2 Ų50.262%0.62230%0.296SS*.  trans-134.14.9177.293.10000114.1C167C147-C167 WeakPolarHBondContact CA-SG 3.49Å; C147-C167 HydrophobicContact CB-CB 3.73Å; C147-C167 WeakPolarHBondContact CB-SG 3.31Å; C147-C167 PolarHBondContact N-SG 2.93Å; C147-C167 WeakPolarHBondContact SG-CB 3.42Å; C147-C167 CovalentContact SG-SG 1.99Å; C147-C167 PolarHBondContact SG-SG 3.29Å
148G66.3Low73.7Confident29 Ų2950.3 Ų50.330%0.29930%0.297SS..SBendtrans-67-17017300000113.3N150 L165G148-N150 PolarHBondContact O-N 3.18Å; G148-L165 PolarHBondContact N-O 3.43Å
149S63.4Low72.8Confident86 Ų8650.5 Ų50.560%0.60130%0.296SS*.  trans-62.6-2.5-177.259.10000115I151S149-I151 WeakPolarHBondContact O-CG1 3.34Å; S149-I151 PolarHBondContact O-N 2.97Å; S149-I151 VanDerWaalsContact O-N 3.11Å
150N69.6Low71.9Confident120 Ų12048.9 Ų48.964%0.64229%0.287SS*.  trans52.925.7-174.3-63.7-47.2000113.2G148G148-N150 PolarHBondContact O-N 3.18Å
151I67.6Low70.9Confident118 Ų11848.3 Ų48.361%0.60529%0.286SS*.  trans-105.1110.9177.7-65165.6000108.3S149 N153S149-I151 WeakPolarHBondContact O-CG1 3.34Å; S149-I151 PolarHBondContact O-N 2.97Å; S149-I151 VanDerWaalsContact O-N 3.11Å; I151-N153 PolarHBondContact O-N 3.43Å
152I65.7Low70.3Confident47 Ų4748.6 Ų48.624%0.24129%0.287CS..  trans-86111.3173.2-59.8172.1000107.9H154 P161 L162 L165I152-H154 HydrophobicContact CG2-CB 3.77Å; I152-H154 PolarHBondContact O-N 3.49Å; I152-P161 HydrophobicContact CG2-CB 4.19Å; I152-L162 HydrophobicContact CD1-CD2 4.02Å; I152-L165 HydrophobicContact CG1-CD1 3.78Å
153N64.3Low69.4Low74 Ų7447.8 Ų47.840%0.39628%0.284SS..  trans-8452.9175.6-163.926.9000111.2I151 K250I151-N153 PolarHBondContact O-N 3.43Å; N153-K250 VanDerWaalsContact C-CE 3.47Å; N153-K250 WeakPolarHBondContact O-CE 3.42Å; N153-K250 WeakPolarHBondContact OD1-CE 3.26Å; N153-K250 PolarHBondContact OD1-NZ 3.33Å
154H63.8Low68.6Low25 Ų2547.5 Ų47.512%0.11629%0.287CS..SBendtrans-149.8160.7-176.8-156.4-104.9000111.3I152 F156 E158 P161 S253I152-H154 HydrophobicContact CG2-CB 3.77Å; I152-H154 PolarHBondContact O-N 3.49Å; H154-F156 VanDerWaalsContact C-N 3.26Å; H154-F156 AromaticContact CE1-CD1 3.77Å; H154-F156 AromaticContact CE1-CE1 3.35Å; H154-F156 WeakPolarHBondContact CE1-CE1 3.38Å; H154-F156 AromaticContact CE1-CZ 3.52Å; H154-F156 AromaticContact ND1-CD1 3.78Å; H154-F156 AromaticContact ND1-CE1 3.84Å; H154-F156 AromaticContact ND1-CG 3.99Å; H154-F156 PolarHBondContact ND1-O 3.32Å; H154-F156 VanDerWaalsContact ND1-O 3.1Å; H154-F156 PolarHBondContact O-N 2.74Å; H154-E158 IonicContact CE1-OE2 2.87Å; H154-E158 PolarHBondContact CE1-OE2 2.85Å; H154-E158 IonicContact ND1-OE2 3.62Å; H154-E158 IonicContact NE2-OE2 3.3Å; H154-E158 PolarHBondContact NE2-OE2 3.19Å; H154-P161 HydrophobicContact CB-CB 4.29Å; H154-P161 HydrophobicContact CB-CG 3.92Å; H154-S253 WeakPolarHBondContact CE1-CB 3.49Å; H154-S253 PolarHBondContact CE1-OG 3.39Å; H154-S253 WeakPolarHBondContact NE2-CB 3.5Å; H154-S253 PolarHBondContact NE2-OG 3.5Å
155F64.9Low68Low41 Ų4147.3 Ų47.318%0.1829%0.286CS..SBendtrans-74.6-17.2-179.1-74.7-63.9000113.8M59 F63 K250 V254M59-F155 HydrophobicContact CG-CB 4.1Å; M59-F155 HydrophobicContact CG-CD1 3.95Å; M59-F155 HydrophobicContact CG-CG 4.21Å; M59-F155 HydrophobicContact SD-CB 4.29Å; M59-F155 HydrophobicContact SD-CD1 4.43Å; M59-F155 HydrophobicContact SD-CG 4.28Å; F63-F155 AromaticContact CE1-CE1 3.93Å; F63-F155 HydrophobicContact CE1-CE1 3.93Å; F63-F155 HydrophobicContact CZ-CD1 4.37Å; F63-F155 AromaticContact CZ-CE1 3.66Å; F63-F155 HydrophobicContact CZ-CE1 3.66Å; F63-F155 HydrophobicContact CZ-CZ 4.19Å; F155-K250 HydrophobicContact CD2-CB 3.84Å; F155-K250 HydrophobicContact CD2-CG 4.31Å; F155-K250 VanDerWaalsContact CD2-O 3.27Å; F155-K250 WeakPolarHBondContact CD2-O 3.39Å; F155-K250 HydrophobicContact CE2-CB 3.66Å; F155-K250 HydrophobicContact CE2-CG 4.38Å; F155-K250 WeakPolarHBondContact CE2-O 3.27Å; F155-V254 HydrophobicContact CD2-CG2 3.61Å; F155-V254 HydrophobicContact CE2-CG2 3.86Å; F155-V254 HydrophobicContact CG-CG2 4.37Å
156F66.5Low68Low6 Ų644.6 Ų44.63%0.02627%0.267CS..SBendtrans-154.8171.1179.861.3-90.5000109.7I55 Q78 F82 H154 E158 T257I55-F156 HydrophobicContact CD1-CD1 4.14Å; I55-F156 HydrophobicContact CD1-CD2 3.9Å; I55-F156 HydrophobicContact CD1-CE1 4.21Å; I55-F156 HydrophobicContact CD1-CE2 4Å; I55-F156 HydrophobicContact CD1-CG 3.98Å; I55-F156 HydrophobicContact CD1-CZ 4.15Å; I55-F156 HydrophobicContact CG1-CB 4.33Å; I55-F156 HydrophobicContact CG1-CD2 4.41Å; I55-F156 HydrophobicContact CG1-CG 4.22Å; I55-F156 HydrophobicContact CG2-CB 4.11Å; I55-F156 HydrophobicContact CG2-CD1 3.78Å; I55-F156 HydrophobicContact CG2-CE1 4.45Å; I55-F156 HydrophobicContact CG2-CG 4.08Å; Q78-F156 VanDerWaalsContact OE1-CB 3.29Å; F82-F156 HydrophobicContact CD1-CE2 4.21Å; F82-F156 AromaticContact CE1-CE2 3.76Å; F82-F156 HydrophobicContact CE1-CE2 3.76Å; F82-F156 HydrophobicContact CE1-CZ 4.28Å; F82-F156 AromaticContact CZ-CE2 3.96Å; F82-F156 HydrophobicContact CZ-CE2 3.96Å; F82-F156 HydrophobicContact CZ-CZ 4.06Å; H154-F156 VanDerWaalsContact C-N 3.26Å; H154-F156 AromaticContact CE1-CD1 3.77Å; H154-F156 AromaticContact CE1-CE1 3.35Å; H154-F156 WeakPolarHBondContact CE1-CE1 3.38Å; H154-F156 AromaticContact CE1-CZ 3.52Å; H154-F156 AromaticContact ND1-CD1 3.78Å; H154-F156 AromaticContact ND1-CE1 3.84Å; H154-F156 AromaticContact ND1-CG 3.99Å; H154-F156 PolarHBondContact ND1-O 3.32Å; H154-F156 VanDerWaalsContact ND1-O 3.1Å; H154-F156 PolarHBondContact O-N 2.74Å; F156-E158 HydrophobicContact CD2-CB 4.18Å; F156-E158 HydrophobicContact CE2-CB 3.74Å; F156-E158 HydrophobicContact CE2-CG 3.97Å; F156-E158 HydrophobicContact CZ-CB 4.47Å; F156-E158 HydrophobicContact CZ-CG 4.5Å; F156-E158 PolarHBondContact O-N 2.95Å; F156-T257 HydrophobicContact CE1-CG2 3.87Å; F156-T257 HydrophobicContact CZ-CG2 3.67Å
157C71.6Confident67.8Low2 Ų245.5 Ų45.51%0.01428%0.28CS..  trans-74.6112.3177.4-67.10000111.5C75 F79 L162C75-C157 WeakPolarHBondContact CA-SG 3.07Å; C75-C157 HydrophobicContact CB-CB 4.12Å; C75-C157 WeakPolarHBondContact CB-SG 3.21Å; C75-C157 WeakPolarHBondContact SG-CB 3.41Å; C75-C157 CovalentContact SG-SG 2.01Å; C75-C157 PolarHBondContact SG-SG 3.44Å; F79-C157 HydrophobicContact CB-CB 4.33Å; F79-C157 WeakPolarHBondContact CD2-O 3.23Å; C157-L162 HydrophobicContact CB-CD1 4.25Å
158E70.8Confident67.9Low6 Ų642.9 Ų42.93%0.02826%0.263CS..  trans-129.5158.7-179-163.4177.5174.400110.9H154 F156 P161 L162 Y237 Y256H154-E158 IonicContact CE1-OE2 2.87Å; H154-E158 PolarHBondContact CE1-OE2 2.85Å; H154-E158 IonicContact ND1-OE2 3.62Å; H154-E158 IonicContact NE2-OE2 3.3Å; H154-E158 PolarHBondContact NE2-OE2 3.19Å; F156-E158 HydrophobicContact CD2-CB 4.18Å; F156-E158 HydrophobicContact CE2-CB 3.74Å; F156-E158 HydrophobicContact CE2-CG 3.97Å; F156-E158 HydrophobicContact CZ-CB 4.47Å; F156-E158 HydrophobicContact CZ-CG 4.5Å; F156-E158 PolarHBondContact O-N 2.95Å; E158-P161 HydrophobicContact CB-CG 4.36Å; E158-P161 WeakPolarHBondContact O-CD 3.32Å; E158-L162 WeakPolarHBondContact O-CB 3.37Å; E158-L162 VanDerWaalsContact O-CG 3.26Å; E158-L162 WeakPolarHBondContact O-CG 3.4Å; E158-L162 PolarHBondContact O-N 2.84Å; E158-L162 VanDerWaalsContact O-N 3.12Å; E158-Y237 PolarHBondContact OE1-OH 2.87Å; E158-Y256 PolarHBondContact OE1-OH 3.49Å
159I69.1Low68.3Low28 Ų2847.8 Ų47.814%0.14428%0.282CS..Hα-helixtrans-54.5-58.2-174.1-54.5-177.7000112.3F79 L162 L163 L177F79-I159 HydrophobicContact CE2-CB 4.48Å; F79-I159 HydrophobicContact CE2-CD1 4.21Å; F79-I159 HydrophobicContact CE2-CG1 3.35Å; F79-I159 HydrophobicContact CZ-CD1 3.97Å; F79-I159 HydrophobicContact CZ-CG1 3.48Å; F79-I159 VanDerWaalsContact CZ-CG1 3.48Å; I159-L162 PolarHBondContact O-N 3.29Å; I159-L163 HydrophobicContact CG2-CD1 3.46Å; I159-L163 VanDerWaalsContact CG2-CD1 3.46Å; I159-L163 HydrophobicContact CG2-CG 4.03Å; I159-L163 WeakPolarHBondContact O-CG 3.39Å; I159-L163 PolarHBondContact O-N 3.21Å; I159-L177 HydrophobicContact CD1-CD2 4.47Å; I159-L177 HydrophobicContact CG2-CD1 3.92Å
160P65.8Low69Low43 Ų4344.8 Ų44.828%0.27926%0.26SS..Hα-helixtrans-64.2-43-172.6-16.830.5000113.7L162 L163 A164P160-L162 VanDerWaalsContact C-N 3.34Å; P160-L162 PolarHBondContact O-N 3.14Å; P160-L163 PolarHBondContact O-N 3.37Å; P160-A164 PolarHBondContact O-N 3.06Å; P160-A164 VanDerWaalsContact O-N 3.13Å
161P64.6Low69.4Low28 Ų2846 Ų4618%0.18226%0.257CS..Hα-helixtrans-63-33.1173.9-25.234.4000114.6I152 H154 E158 L165I152-P161 HydrophobicContact CG2-CB 4.19Å; H154-P161 HydrophobicContact CB-CB 4.29Å; H154-P161 HydrophobicContact CB-CG 3.92Å; E158-P161 HydrophobicContact CB-CG 4.36Å; E158-P161 WeakPolarHBondContact O-CD 3.32Å; P161-L165 WeakPolarHBondContact O-CG 3.48Å
162L70.4Confident69.8Low7 Ų746 Ų464%0.03726%0.256CS..Hα-helixtrans-72.9-46.5177.4-73.6171.4000111F79 T141 F142 Y146 I152 C157 E158 I159 P160 A164 L165F79-L162 HydrophobicContact CD2-CD1 4.48Å; T141-L162 HydrophobicContact CG2-CB 4.03Å; T141-L162 HydrophobicContact CG2-CD1 3.76Å; F142-L162 HydrophobicContact CE1-CD1 4.46Å; F142-L162 HydrophobicContact CE2-CD1 4.04Å; F142-L162 HydrophobicContact CZ-CD1 3.64Å; Y146-L162 HydrophobicContact CE1-CB 4.37Å; Y146-L162 VanDerWaalsContact CE1-O 3.32Å; Y146-L162 WeakPolarHBondContact CE1-O 3.48Å; I152-L162 HydrophobicContact CD1-CD2 4.02Å; C157-L162 HydrophobicContact CB-CD1 4.25Å; E158-L162 WeakPolarHBondContact O-CB 3.37Å; E158-L162 VanDerWaalsContact O-CG 3.26Å; E158-L162 WeakPolarHBondContact O-CG 3.4Å; E158-L162 PolarHBondContact O-N 2.84Å; E158-L162 VanDerWaalsContact O-N 3.12Å; I159-L162 PolarHBondContact O-N 3.29Å; P160-L162 VanDerWaalsContact C-N 3.34Å; P160-L162 PolarHBondContact O-N 3.14Å; L162-A164 VanDerWaalsContact C-N 3.27Å; L162-A164 PolarHBondContact O-N 3.07Å; L162-L165 WeakPolarHBondContact O-CB 3.15Å; L162-L165 PolarHBondContact O-N 2.97Å
163L64.9Low70.4Confident9 Ų944.5 Ų44.55%0.04725%0.251CS..Hα-helixtrans-60-37.6178.6-68.3174.2000112.1L144 I159 P160 L165 S166 T170 E174 L177L144-L163 HydrophobicContact CD1-CD2 3.47Å; L144-L163 VanDerWaalsContact CD1-CD2 3.47Å; I159-L163 HydrophobicContact CG2-CD1 3.46Å; I159-L163 VanDerWaalsContact CG2-CD1 3.46Å; I159-L163 HydrophobicContact CG2-CG 4.03Å; I159-L163 WeakPolarHBondContact O-CG 3.39Å; I159-L163 PolarHBondContact O-N 3.21Å; P160-L163 PolarHBondContact O-N 3.37Å; L163-L165 PolarHBondContact O-N 3.38Å; L163-L165 VanDerWaalsContact O-N 3.12Å; L163-S166 VanDerWaalsContact O-CB 3.29Å; L163-S166 WeakPolarHBondContact O-CB 3.26Å; L163-S166 PolarHBondContact O-N 3.29Å; L163-T170 HydrophobicContact CD2-CG2 4.11Å; L163-E174 HydrophobicContact CD1-CG 3.57Å; L163-L177 HydrophobicContact CD1-CD1 4.22Å; L163-L177 HydrophobicContact CD2-CD1 4.34Å
164A66.4Low70.9Confident86 Ų8644 Ų4471%0.71125%0.246SC*.THydrogen-bonded Turntrans-62.8-16.6175.400000114.6P160 L162P160-A164 PolarHBondContact O-N 3.06Å; P160-A164 VanDerWaalsContact O-N 3.13Å; L162-A164 VanDerWaalsContact C-N 3.27Å; L162-A164 PolarHBondContact O-N 3.07Å
165L66.9Low71.6Confident20 Ų2046.3 Ų46.311%0.10526%0.258CS..THydrogen-bonded Turntrans-96.3-7.7177.5-64.9169.9000113.1Y146 G148 I152 P161 L162 L163Y146-L165 HydrophobicContact CD1-CB 4.14Å; G148-L165 PolarHBondContact N-O 3.43Å; I152-L165 HydrophobicContact CG1-CD1 3.78Å; P161-L165 WeakPolarHBondContact O-CG 3.48Å; L162-L165 WeakPolarHBondContact O-CB 3.15Å; L162-L165 PolarHBondContact O-N 2.97Å; L163-L165 PolarHBondContact O-N 3.38Å; L163-L165 VanDerWaalsContact O-N 3.12Å
166S74.7Confident72.4Confident21 Ų2148 Ų4815%0.14727%0.269CS..BIsolated β-bridgetrans-69.7143.5177.4174.60000111.2L163 S168 T170L163-S166 VanDerWaalsContact O-CB 3.29Å; L163-S166 WeakPolarHBondContact O-CB 3.26Å; L163-S166 PolarHBondContact O-N 3.29Å; S166-S168 PolarHBondContact OG-N 3.33Å; S166-S168 PolarHBondContact OG-O 3.1Å; S166-S168 PolarHBondContact OG-OG 3.17Å; S166-T170 VanDerWaalsContact CB-CG2 3.42Å; S166-T170 WeakPolarHBondContact OG-CG2 3.47Å
167C73.7Confident73.2Confident68 Ų6847.8 Ų47.846%0.45927%0.268SS..  trans-108.5-11170.6-64.80000113.2S145 C147S145-C167 PolarHBondContact O-N 2.89Å; C147-C167 WeakPolarHBondContact CA-SG 3.49Å; C147-C167 HydrophobicContact CB-CB 3.73Å; C147-C167 WeakPolarHBondContact CB-SG 3.31Å; C147-C167 PolarHBondContact N-SG 2.93Å; C147-C167 WeakPolarHBondContact SG-CB 3.42Å; C147-C167 CovalentContact SG-SG 1.99Å; C147-C167 PolarHBondContact SG-SG 3.29Å
168S76Confident73.6Confident37 Ų3752.7 Ų52.726%0.25929%0.289SS..SBendtrans-77.6150.6163.938.20000110.5S145 S166 T170S145-S168 PolarHBondContact N-OG 3.11Å; S145-S168 PolarHBondContact O-N 3.28Å; S166-S168 PolarHBondContact OG-N 3.33Å; S166-S168 PolarHBondContact OG-O 3.1Å; S166-S168 PolarHBondContact OG-OG 3.17Å; S168-T170 WeakPolarHBondContact O-CG2 3.45Å; S168-T170 PolarHBondContact O-N 2.64Å; S168-T170 VanDerWaalsContact O-N 3.13Å
169D74.3Confident74.2Confident131 Ų13155.8 Ų55.870%0.70131%0.311SS*.  trans-54.8116.6170.3-177.36.9000110.1Y171D169-Y171 VanDerWaalsContact OD1-CB 3.25Å; D169-Y171 WeakPolarHBondContact OD1-CB 3.44Å; D169-Y171 PolarHBondContact OD1-N 3.21Å
170T78.2Confident75Confident24 Ų2457.1 Ų57.115%0.14732%0.319CS..  trans-90.8-7.8-17754.80000112.7L144 L163 S166 S168 I172 S173 E174L144-T170 HydrophobicContact CD1-CG2 4.13Å; L163-T170 HydrophobicContact CD2-CG2 4.11Å; S166-T170 VanDerWaalsContact CB-CG2 3.42Å; S166-T170 WeakPolarHBondContact OG-CG2 3.47Å; S168-T170 WeakPolarHBondContact O-CG2 3.45Å; S168-T170 PolarHBondContact O-N 2.64Å; S168-T170 VanDerWaalsContact O-N 3.13Å; T170-I172 PolarHBondContact O-N 3.23Å; T170-S173 CarbonylContact O-C 3.59Å; T170-S173 PolarHBondContact O-N 3.48Å; T170-E174 WeakPolarHBondContact CB-OE1 3.42Å; T170-E174 WeakPolarHBondContact O-CB 3.23Å; T170-E174 PolarHBondContact O-N 2.89Å; T170-E174 PolarHBondContact OG1-OE1 2.83Å
171Y76.8Confident75.9Confident145 Ų14556.6 Ų56.657%0.56932%0.315SS*.Hα-helixtrans-55.6-45.7-167.8-177.8-106.2000113.6D169 I175D169-Y171 VanDerWaalsContact OD1-CB 3.25Å; D169-Y171 WeakPolarHBondContact OD1-CB 3.44Å; D169-Y171 PolarHBondContact OD1-N 3.21Å; Y171-I175 HydrophobicContact CD1-CD1 3.9Å; Y171-I175 HydrophobicContact CD2-CD1 4.38Å; Y171-I175 HydrophobicContact CE1-CD1 3.37Å; Y171-I175 HydrophobicContact CE2-CD1 3.92Å; Y171-I175 HydrophobicContact CG-CD1 4.37Å; Y171-I175 WeakPolarHBondContact O-CG1 3.3Å; Y171-I175 PolarHBondContact O-N 3.47Å
172I76.4Confident76.9Confident117 Ų11756.8 Ų56.860%0.632%0.322SS*.Hα-helixtrans-69.2-42.4178.8-60.9-60.5000111.6T170 I175 L176T170-I172 PolarHBondContact O-N 3.23Å; I172-I175 PolarHBondContact O-N 3.5Å; I172-L176 WeakPolarHBondContact O-CB 3.39Å; I172-L176 PolarHBondContact O-N 2.93Å
173S78.4Confident77.8Confident17 Ų1763 Ų6312%0.11935%0.35CS..Hα-helixtrans-64.5-42177.3-66.20000111.2T170 L176 L177T170-S173 CarbonylContact O-C 3.59Å; T170-S173 PolarHBondContact O-N 3.48Å; S173-L176 PolarHBondContact O-N 2.93Å; S173-L177 VanDerWaalsContact O-CB 3.25Å; S173-L177 WeakPolarHBondContact O-CB 3.49Å; S173-L177 WeakPolarHBondContact O-CD1 3.12Å; S173-L177 WeakPolarHBondContact O-CG 3.49Å; S173-L177 PolarHBondContact O-N 3.35Å
174E75.8Confident79Confident63 Ų6363.1 Ų63.129%0.29435%0.35SS..Hα-helixtrans-57.3-54.7173.7-83.1173.8-155.900111.1L163 T170 L176 L177 F178L163-E174 HydrophobicContact CD1-CG 3.57Å; T170-E174 WeakPolarHBondContact CB-OE1 3.42Å; T170-E174 WeakPolarHBondContact O-CB 3.23Å; T170-E174 PolarHBondContact O-N 2.89Å; T170-E174 PolarHBondContact OG1-OE1 2.83Å; E174-L176 VanDerWaalsContact C-N 3.26Å; E174-L176 PolarHBondContact O-N 3.31Å; E174-L177 PolarHBondContact O-N 2.98Å; E174-F178 HydrophobicContact CB-CD2 4.18Å; E174-F178 HydrophobicContact CB-CE2 4.24Å; E174-F178 HydrophobicContact CG-CE2 4.24Å; E174-F178 WeakPolarHBondContact O-CB 3.26Å; E174-F178 WeakPolarHBondContact O-CD2 3.17Å; E174-F178 PolarHBondContact O-N 2.65Å
175I77.6Confident80Confident74 Ų7460.4 Ų60.438%0.37932%0.323SS..Hα-helixtrans-55.8-45.3179.1-73.1172.7000110.7Y171 I172 S179Y171-I175 HydrophobicContact CD1-CD1 3.9Å; Y171-I175 HydrophobicContact CD2-CD1 4.38Å; Y171-I175 HydrophobicContact CE1-CD1 3.37Å; Y171-I175 HydrophobicContact CE2-CD1 3.92Å; Y171-I175 HydrophobicContact CG-CD1 4.37Å; Y171-I175 WeakPolarHBondContact O-CG1 3.3Å; Y171-I175 PolarHBondContact O-N 3.47Å; I172-I175 PolarHBondContact O-N 3.5Å; I175-S179 WeakPolarHBondContact O-CB 3.5Å; I175-S179 PolarHBondContact O-N 3.5Å; I175-S179 PolarHBondContact O-OG 3.22Å
176L81.8Confident81.1Confident76 Ų7666.3 Ų66.340%0.39835%0.348SS..Hα-helixtrans-69.2-44.2-177.1-172.158.4000112.1L140 I172 S173 E174 S179 L180L140-L176 HydrophobicContact CD1-CB 4.25Å; L140-L176 HydrophobicContact CD1-CD2 3.47Å; L140-L176 VanDerWaalsContact CD1-CD2 3.47Å; L140-L176 HydrophobicContact CD1-CG 3.68Å; L140-L176 HydrophobicContact CD2-CD2 3.61Å; L140-L176 HydrophobicContact CG-CD2 4.17Å; I172-L176 WeakPolarHBondContact O-CB 3.39Å; I172-L176 PolarHBondContact O-N 2.93Å; S173-L176 PolarHBondContact O-N 2.93Å; E174-L176 VanDerWaalsContact C-N 3.26Å; E174-L176 PolarHBondContact O-N 3.31Å; L176-S179 PolarHBondContact O-N 2.95Å; L176-L180 HydrophobicContact CD1-CD1 4.31Å; L176-L180 HydrophobicContact CD1-CG 4.38Å; L176-L180 HydrophobicContact CG-CD1 4.13Å; L176-L180 WeakPolarHBondContact O-CB 3.3Å; L176-L180 VanDerWaalsContact O-CG 3.23Å; L176-L180 WeakPolarHBondContact O-CG 3.35Å; L176-L180 PolarHBondContact O-N 2.9Å
177L82.4Confident82Confident2 Ų266.5 Ų66.51%0.0135%0.349CS..Hα-helixtrans-62.2-50.1177.3-70.4166.1000111.1H137 L140 I159 L163 S173 E174 S179 L180 C181H137-L177 HydrophobicContact CB-CD2 4.01Å; H137-L177 WeakPolarHBondContact CD2-CD2 3.01Å; L140-L177 HydrophobicContact CB-CD2 3.95Å; L140-L177 HydrophobicContact CB-CG 4.27Å; L140-L177 HydrophobicContact CD1-CD2 4.02Å; L140-L177 HydrophobicContact CD1-CG 4.29Å; I159-L177 HydrophobicContact CD1-CD2 4.47Å; I159-L177 HydrophobicContact CG2-CD1 3.92Å; L163-L177 HydrophobicContact CD1-CD1 4.22Å; L163-L177 HydrophobicContact CD2-CD1 4.34Å; S173-L177 VanDerWaalsContact O-CB 3.25Å; S173-L177 WeakPolarHBondContact O-CB 3.49Å; S173-L177 WeakPolarHBondContact O-CD1 3.12Å; S173-L177 WeakPolarHBondContact O-CG 3.49Å; S173-L177 PolarHBondContact O-N 3.35Å; E174-L177 PolarHBondContact O-N 2.98Å; L177-S179 VanDerWaalsContact C-N 3.35Å; L177-S179 PolarHBondContact O-N 3.3Å; L177-L180 PolarHBondContact O-N 3.04Å; L177-C181 WeakPolarHBondContact O-CB 3.33Å; L177-C181 PolarHBondContact O-N 2.89Å
178F80.3Confident83Confident105 Ų10563.2 Ų63.246%0.46133%0.327SS..Hα-helixtrans-66.8-35.7178.7-73.7-63.4000112.4E174 G182E174-F178 HydrophobicContact CB-CD2 4.18Å; E174-F178 HydrophobicContact CB-CE2 4.24Å; E174-F178 HydrophobicContact CG-CE2 4.24Å; E174-F178 WeakPolarHBondContact O-CB 3.26Å; E174-F178 WeakPolarHBondContact O-CD2 3.17Å; E174-F178 PolarHBondContact O-N 2.65Å; F178-G182 WeakPolarHBondContact O-CA 3.28Å; F178-G182 PolarHBondContact O-N 3.26Å
179S83.3Confident83.8Confident70 Ų7064.3 Ų64.349%0.4933%0.329SS..Hα-helixtrans-67.4-40.9175.9-62.30000112I175 L176 L177 F183I175-S179 WeakPolarHBondContact O-CB 3.5Å; I175-S179 PolarHBondContact O-N 3.5Å; I175-S179 PolarHBondContact O-OG 3.22Å; L176-S179 PolarHBondContact O-N 2.95Å; L177-S179 VanDerWaalsContact C-N 3.35Å; L177-S179 PolarHBondContact O-N 3.3Å; S179-F183 VanDerWaalsContact O-CB 3.23Å; S179-F183 WeakPolarHBondContact O-CB 3.39Å; S179-F183 PolarHBondContact O-N 3.38Å
180L86.6Confident84.8Confident57 Ų5761.7 Ų61.730%0.29832%0.315SS..Hα-helixtrans-65.4-51.8176.9-75.3169.5000111.2A136 L140 L176 L177 G182 F183 I184A136-L180 HydrophobicContact CB-CD1 4.22Å; L140-L180 HydrophobicContact CD1-CD1 4.22Å; L176-L180 HydrophobicContact CD1-CD1 4.31Å; L176-L180 HydrophobicContact CD1-CG 4.38Å; L176-L180 HydrophobicContact CG-CD1 4.13Å; L176-L180 WeakPolarHBondContact O-CB 3.3Å; L176-L180 VanDerWaalsContact O-CG 3.23Å; L176-L180 WeakPolarHBondContact O-CG 3.35Å; L176-L180 PolarHBondContact O-N 2.9Å; L177-L180 PolarHBondContact O-N 3.04Å; L180-G182 PolarHBondContact O-N 3.36Å; L180-F183 PolarHBondContact O-N 3.42Å; L180-I184 WeakPolarHBondContact O-CG1 3.24Å; L180-I184 PolarHBondContact O-N 3.08Å
181C84.5Confident85.6Confident31 Ų3164 Ų6421%0.20933%0.326CS..Hα-helixtrans-57.5-50.3176.6-176.40000111.1L177 F183 I184 E185L177-C181 WeakPolarHBondContact O-CB 3.33Å; L177-C181 PolarHBondContact O-N 2.89Å; C181-F183 VanDerWaalsContact C-N 3.31Å; C181-F183 PolarHBondContact O-N 2.91Å; C181-I184 PolarHBondContact O-N 3.29Å; C181-I184 VanDerWaalsContact O-N 3.16Å; C181-E185 WeakPolarHBondContact O-CG 3.49Å; C181-E185 PolarHBondContact O-N 2.94Å
182G85.7Confident86.5Confident32 Ų3257.5 Ų57.533%0.3330%0.301SS..Hα-helixtrans-60.8-36.7178.300000113.4F178 L180 F186F178-G182 WeakPolarHBondContact O-CA 3.28Å; F178-G182 PolarHBondContact O-N 3.26Å; L180-G182 PolarHBondContact O-N 3.36Å; G182-F186 WeakPolarHBondContact O-CB 3.23Å; G182-F186 PolarHBondContact O-N 3.43Å
183F89.5Confident87.4Confident139 Ų13958.5 Ų58.561%0.6130%0.301SS*.Hα-helixtrans-66.5-44.2175176.6-97.5000112.2S179 L180 C181 S187S179-F183 VanDerWaalsContact O-CB 3.23Å; S179-F183 WeakPolarHBondContact O-CB 3.39Å; S179-F183 PolarHBondContact O-N 3.38Å; L180-F183 PolarHBondContact O-N 3.42Å; C181-F183 VanDerWaalsContact C-N 3.31Å; C181-F183 PolarHBondContact O-N 2.91Å; F183-S187 WeakPolarHBondContact O-CB 3.35Å; F183-S187 PolarHBondContact O-N 3Å; F183-S187 PolarHBondContact O-OG 3.39Å
184I90.3Very high88.2Confident11 Ų1161.3 Ų61.36%0.05631%0.314CS..Hα-helixtrans-62.2-51.2177.8-66.3168.8000109.8D87 C90 Y91 L180 C181 S187 T188D87-I184 HydrophobicContact CB-CD1 4.4Å; C90-I184 HydrophobicContact CB-CG2 4.27Å; Y91-I184 HydrophobicContact CE2-CG2 3.92Å; L180-I184 WeakPolarHBondContact O-CG1 3.24Å; L180-I184 PolarHBondContact O-N 3.08Å; C181-I184 PolarHBondContact O-N 3.29Å; C181-I184 VanDerWaalsContact O-N 3.16Å; I184-S187 PolarHBondContact O-OG 3.26Å; I184-T188 WeakPolarHBondContact O-CB 3.49Å; I184-T188 WeakPolarHBondContact O-CG2 3.44Å; I184-T188 PolarHBondContact O-N 2.9Å; I184-T188 VanDerWaalsContact O-N 3.07Å; I184-T188 PolarHBondContact O-OG1 2.98Å
185E87.9Confident89.2Confident29 Ų2958.6 Ų58.614%0.13630%0.302CS..Hα-helixtrans-61.5-50.1179.2-71.4-176.1-178.500111.7C181 S187 T188 I189 V233 M234C181-E185 WeakPolarHBondContact O-CG 3.49Å; C181-E185 PolarHBondContact O-N 2.94Å; E185-S187 PolarHBondContact O-N 3.24Å; E185-T188 PolarHBondContact O-N 3.25Å; E185-T188 PolarHBondContact O-OG1 2.88Å; E185-I189 VanDerWaalsContact O-CB 3.31Å; E185-I189 WeakPolarHBondContact O-CB 3.13Å; E185-I189 WeakPolarHBondContact O-CD1 3.4Å; E185-I189 WeakPolarHBondContact O-CG1 3.38Å; E185-I189 PolarHBondContact O-N 3.37Å; E185-V233 WeakPolarHBondContact OE1-CG1 3.48Å; E185-M234 WeakPolarHBondContact OE2-CE 3.44Å
186F89.8Confident90Very high143 Ų14355.6 Ų55.663%0.62729%0.286SS*.Hα-helixtrans-63-44.9-177.6-176.6-97.6000111.9G182 T188 L190G182-F186 WeakPolarHBondContact O-CB 3.23Å; G182-F186 PolarHBondContact O-N 3.43Å; F186-T188 PolarHBondContact O-N 2.73Å; F186-L190 HydrophobicContact CE1-CD2 4.24Å; F186-L190 WeakPolarHBondContact O-CB 3.07Å; F186-L190 PolarHBondContact O-N 3.14Å
187S93.8Very high90.5Very high25 Ų2554.8 Ų54.818%0.17528%0.284CS..Hα-helixtrans-63.6-42.9179.8620000112F183 I184 E185 L190 I191F183-S187 WeakPolarHBondContact O-CB 3.35Å; F183-S187 PolarHBondContact O-N 3Å; F183-S187 PolarHBondContact O-OG 3.39Å; I184-S187 PolarHBondContact O-OG 3.26Å; E185-S187 PolarHBondContact O-N 3.24Å; S187-L190 PolarHBondContact O-N 3.47Å; S187-I191 VanDerWaalsContact O-CG1 3.3Å; S187-I191 WeakPolarHBondContact O-CG1 3.21Å; S187-I191 PolarHBondContact O-N 3.04Å; S187-I191 VanDerWaalsContact O-N 3.08Å
188T94.9Very high91.1Very high0 Ų060 Ų600%031%0.307CS..Hα-helixtrans-70.6-43.4179.452.50000112.2C90 Y91 A94 I184 E185 F186 L190 I191 I192 Y230C90-T188 HydrophobicContact CB-CG2 4.03Å; Y91-T188 HydrophobicContact CD1-CG2 3.61Å; Y91-T188 HydrophobicContact CE1-CG2 3.75Å; Y91-T188 HydrophobicContact CG-CG2 4.25Å; A94-T188 HydrophobicContact CB-CG2 4.19Å; I184-T188 WeakPolarHBondContact O-CB 3.49Å; I184-T188 WeakPolarHBondContact O-CG2 3.44Å; I184-T188 PolarHBondContact O-N 2.9Å; I184-T188 VanDerWaalsContact O-N 3.07Å; I184-T188 PolarHBondContact O-OG1 2.98Å; E185-T188 PolarHBondContact O-N 3.25Å; E185-T188 PolarHBondContact O-OG1 2.88Å; F186-T188 PolarHBondContact O-N 2.73Å; T188-L190 VanDerWaalsContact C-N 3.3Å; T188-L190 PolarHBondContact O-N 3.38Å; T188-I191 PolarHBondContact O-N 3.44Å; T188-I192 VanDerWaalsContact O-CG1 3.28Å; T188-I192 WeakPolarHBondContact O-CG1 3.31Å; T188-I192 PolarHBondContact O-N 3Å; T188-Y230 WeakPolarHBondContact CB-OH 3.3Å; T188-Y230 PolarHBondContact OG1-OH 2.93Å
189I92.4Very high91.8Very high59 Ų5955.1 Ų55.130%0.30329%0.285SS..Hα-helixtrans-58.1-43.8172.7-70.5168.7000110.7E185 I191 I192 F193 Y230 M234E185-I189 VanDerWaalsContact O-CB 3.31Å; E185-I189 WeakPolarHBondContact O-CB 3.13Å; E185-I189 WeakPolarHBondContact O-CD1 3.4Å; E185-I189 WeakPolarHBondContact O-CG1 3.38Å; E185-I189 PolarHBondContact O-N 3.37Å; I189-I191 PolarHBondContact O-N 3.29Å; I189-I192 PolarHBondContact O-N 3.37Å; I189-F193 VanDerWaalsContact O-CB 3.28Å; I189-F193 WeakPolarHBondContact O-CB 3.38Å; I189-F193 PolarHBondContact O-N 3.48Å; I189-Y230 HydrophobicContact CD1-CD1 3.58Å; I189-Y230 HydrophobicContact CD1-CE1 3.9Å; I189-Y230 HydrophobicContact CD1-CG 4.25Å; I189-Y230 HydrophobicContact CG1-CD1 3.52Å; I189-Y230 HydrophobicContact CG1-CD2 4.44Å; I189-Y230 HydrophobicContact CG1-CE1 3.48Å; I189-Y230 VanDerWaalsContact CG1-CE1 3.48Å; I189-Y230 HydrophobicContact CG1-CE2 4.43Å; I189-Y230 HydrophobicContact CG1-CG 4Å; I189-M234 HydrophobicContact CD1-CE 4.06Å
190L94.4Very high92.2Very high76 Ų7655.6 Ų55.640%0.39828%0.282SS..Hα-helixtrans-62.5-44.5180-175.963.7000111.5F186 S187 T188 I192 F193 I194F186-L190 HydrophobicContact CE1-CD2 4.24Å; F186-L190 WeakPolarHBondContact O-CB 3.07Å; F186-L190 PolarHBondContact O-N 3.14Å; S187-L190 PolarHBondContact O-N 3.47Å; T188-L190 VanDerWaalsContact C-N 3.3Å; T188-L190 PolarHBondContact O-N 3.38Å; L190-I192 VanDerWaalsContact C-N 3.33Å; L190-I192 PolarHBondContact O-N 3.27Å; L190-F193 PolarHBondContact O-N 3.21Å; L190-I194 HydrophobicContact CD1-CD1 3.86Å; L190-I194 HydrophobicContact CD1-CG1 4.17Å; L190-I194 HydrophobicContact CG-CD1 3.79Å; L190-I194 HydrophobicContact CG-CG1 4.45Å; L190-I194 WeakPolarHBondContact O-CB 3.41Å; L190-I194 VanDerWaalsContact O-CG1 3.25Å; L190-I194 WeakPolarHBondContact O-CG1 3.38Å; L190-I194 PolarHBondContact O-N 3.12Å
191I95.5Very high92.5Very high73 Ų7355.8 Ų55.837%0.37429%0.286SS..Hα-helixtrans-58.9-46.4175.5-69.1164.1000110.7A94 S187 T188 I189 S195A94-I191 HydrophobicContact CB-CB 4.33Å; A94-I191 HydrophobicContact CB-CG2 4.07Å; S187-I191 VanDerWaalsContact O-CG1 3.3Å; S187-I191 WeakPolarHBondContact O-CG1 3.21Å; S187-I191 PolarHBondContact O-N 3.04Å; S187-I191 VanDerWaalsContact O-N 3.08Å; T188-I191 PolarHBondContact O-N 3.44Å; I189-I191 PolarHBondContact O-N 3.29Å; I191-S195 VanDerWaalsContact O-CB 3.24Å; I191-S195 WeakPolarHBondContact O-CB 3.36Å; I191-S195 PolarHBondContact O-N 3.31Å; I191-S195 PolarHBondContact O-OG 3.44Å
192I95.3Very high92.8Very high9 Ų955.4 Ų55.45%0.04629%0.285CS..Hα-helixtrans-62.9-49.2179-66.6167.2000110.1L93 A94 A97 T188 I189 L190 I194 S195 Y196 V226 Y230L93-I192 HydrophobicContact CB-CD1 4.32Å; A94-I192 HydrophobicContact CB-CG1 4.36Å; A97-I192 HydrophobicContact CB-CB 4.27Å; A97-I192 HydrophobicContact CB-CG1 3.85Å; A97-I192 HydrophobicContact CB-CG2 4.35Å; T188-I192 VanDerWaalsContact O-CG1 3.28Å; T188-I192 WeakPolarHBondContact O-CG1 3.31Å; T188-I192 PolarHBondContact O-N 3Å; I189-I192 PolarHBondContact O-N 3.37Å; L190-I192 VanDerWaalsContact C-N 3.33Å; L190-I192 PolarHBondContact O-N 3.27Å; I192-I194 PolarHBondContact O-N 3.04Å; I192-S195 PolarHBondContact O-N 3.18Å; I192-Y196 HydrophobicContact CG2-CD2 3.77Å; I192-Y196 HydrophobicContact CG2-CE2 4.14Å; I192-Y196 WeakPolarHBondContact O-CB 3.46Å; I192-Y196 WeakPolarHBondContact O-CD2 3.35Å; I192-Y196 PolarHBondContact O-N 2.86Å; I192-V226 HydrophobicContact CD1-CG1 4.2Å; I192-V226 HydrophobicContact CD1-CG2 4.28Å; I192-V226 HydrophobicContact CG2-CG1 4.01Å; I192-Y230 HydrophobicContact CD1-CE2 3.66Å
193F94.8Very high93Very high137 Ų13754 Ų5460%0.60127%0.27SS*.Hα-helixtrans-60.5-47.5-177.9-179.1-98.3000112.1I189 L190 Y196 T197I189-F193 VanDerWaalsContact O-CB 3.28Å; I189-F193 WeakPolarHBondContact O-CB 3.38Å; I189-F193 PolarHBondContact O-N 3.48Å; L190-F193 PolarHBondContact O-N 3.21Å; F193-Y196 PolarHBondContact O-N 3.15Å; F193-T197 WeakPolarHBondContact O-CB 3.19Å; F193-T197 PolarHBondContact O-N 3.3Å; F193-T197 PolarHBondContact O-OG1 3.35Å
194I95.9Very high93Very high76 Ų7653.3 Ų53.339%0.3927%0.271SS..Hα-helixtrans-60.9-49176.9-68.5171.5000110L190 I192 Y196 T197 F198L190-I194 HydrophobicContact CD1-CD1 3.86Å; L190-I194 HydrophobicContact CD1-CG1 4.17Å; L190-I194 HydrophobicContact CG-CD1 3.79Å; L190-I194 HydrophobicContact CG-CG1 4.45Å; L190-I194 WeakPolarHBondContact O-CB 3.41Å; L190-I194 VanDerWaalsContact O-CG1 3.25Å; L190-I194 WeakPolarHBondContact O-CG1 3.38Å; L190-I194 PolarHBondContact O-N 3.12Å; I192-I194 PolarHBondContact O-N 3.04Å; I194-Y196 PolarHBondContact O-N 2.92Å; I194-T197 PolarHBondContact O-N 3.48Å; I194-F198 HydrophobicContact CG2-CD2 3.84Å; I194-F198 HydrophobicContact CG2-CE2 3.63Å; I194-F198 VanDerWaalsContact O-CD2 3.23Å; I194-F198 WeakPolarHBondContact O-CD2 3.27Å; I194-F198 PolarHBondContact O-N 3.1Å; I194-F198 VanDerWaalsContact O-N 3.14Å
195S96.1Very high92.9Very high6 Ų662.4 Ų62.44%0.04231%0.305CS..Hα-helixtrans-55.5-49.5179.1-63.80000111.6I191 I192 F198 I199I191-S195 VanDerWaalsContact O-CB 3.24Å; I191-S195 WeakPolarHBondContact O-CB 3.36Å; I191-S195 PolarHBondContact O-N 3.31Å; I191-S195 PolarHBondContact O-OG 3.44Å; I192-S195 PolarHBondContact O-N 3.18Å; S195-F198 PolarHBondContact O-N 3.29Å; S195-I199 VanDerWaalsContact O-CG1 3.22Å; S195-I199 WeakPolarHBondContact O-CG1 3.5Å; S195-I199 PolarHBondContact O-N 3.44Å
196Y94.1Very high93Very high11 Ų1164.1 Ų64.14%0.04331%0.313CS..Hα-helixtrans-72.5-29.6-178.2-85.6-79.9000113.8A97 I192 F193 I194 I199 L200 C219 H222 L223A97-Y196 HydrophobicContact CB-CD2 4.25Å; A97-Y196 HydrophobicContact CB-CE2 3.77Å; I192-Y196 HydrophobicContact CG2-CD2 3.77Å; I192-Y196 HydrophobicContact CG2-CE2 4.14Å; I192-Y196 WeakPolarHBondContact O-CB 3.46Å; I192-Y196 WeakPolarHBondContact O-CD2 3.35Å; I192-Y196 PolarHBondContact O-N 2.86Å; F193-Y196 PolarHBondContact O-N 3.15Å; I194-Y196 PolarHBondContact O-N 2.92Å; Y196-I199 HydrophobicContact CD1-CD1 4.03Å; Y196-I199 HydrophobicContact CE1-CD1 4.08Å; Y196-I199 HydrophobicContact CG-CD1 4.34Å; Y196-I199 PolarHBondContact O-N 3.33Å; Y196-L200 WeakPolarHBondContact O-CB 3.5Å; Y196-L200 VanDerWaalsContact O-CG 3.23Å; Y196-L200 WeakPolarHBondContact O-CG 3.24Å; Y196-L200 PolarHBondContact O-N 3.31Å; Y196-C219 HydrophobicContact CE1-CB 3.83Å; Y196-H222 AromaticContact CE2-CE1 3.94Å; Y196-H222 AromaticContact CE2-ND1 3.45Å; Y196-H222 WeakPolarHBondContact CE2-ND1 3.23Å; Y196-H222 AromaticContact CZ-ND1 3.47Å; Y196-H222 VanDerWaalsContact OH-CB 3.31Å; Y196-H222 WeakPolarHBondContact OH-CB 3.45Å; Y196-H222 VanDerWaalsContact OH-CG 3.24Å; Y196-H222 PolarHBondContact OH-ND1 3.26Å; Y196-L223 HydrophobicContact CD1-CD1 3.62Å; Y196-L223 HydrophobicContact CD1-CD2 3.75Å; Y196-L223 HydrophobicContact CD1-CG 3.72Å; Y196-L223 HydrophobicContact CD2-CD2 3.81Å; Y196-L223 HydrophobicContact CD2-CG 4.49Å; Y196-L223 HydrophobicContact CE1-CD1 3.72Å; Y196-L223 HydrophobicContact CE1-CD2 3.88Å; Y196-L223 HydrophobicContact CE1-CG 3.49Å; Y196-L223 VanDerWaalsContact CE1-CG 3.49Å; Y196-L223 HydrophobicContact CE2-CD2 3.96Å; Y196-L223 HydrophobicContact CE2-CG 4.32Å; Y196-L223 HydrophobicContact CG-CD1 4.36Å; Y196-L223 HydrophobicContact CG-CD2 3.72Å; Y196-L223 HydrophobicContact CG-CG 4.22Å
197T93.7Very high92.9Very high60 Ų6069.2 Ų69.237%0.36833%0.328SS..Hα-helixtrans-61.1-48.6171.7-61.10000110.5F193 I194 L200 V201F193-T197 WeakPolarHBondContact O-CB 3.19Å; F193-T197 PolarHBondContact O-N 3.3Å; F193-T197 PolarHBondContact O-OG1 3.35Å; I194-T197 PolarHBondContact O-N 3.48Å; T197-L200 PolarHBondContact O-N 3.07Å; T197-V201 WeakPolarHBondContact O-CG2 3.39Å; T197-V201 PolarHBondContact O-N 2.86Å; T197-V201 VanDerWaalsContact O-N 3.08Å
198F94.7Very high92.7Very high112 Ų11271 Ų7149%0.49134%0.341SS..Hα-helixtrans-65.4-40.4176.4-75.5-68.1000112.8F101 I194 S195 L200 V201 A202F101-F198 HydrophobicContact CD2-CB 3.79Å; F101-F198 HydrophobicContact CE2-CB 3.48Å; F101-F198 VanDerWaalsContact CE2-CB 3.48Å; F101-F198 HydrophobicContact CE2-CD2 4.11Å; F101-F198 AromaticContact CE2-CG 3.9Å; F101-F198 HydrophobicContact CE2-CG 3.9Å; F101-F198 HydrophobicContact CZ-CD2 4.49Å; I194-F198 HydrophobicContact CG2-CD2 3.84Å; I194-F198 HydrophobicContact CG2-CE2 3.63Å; I194-F198 VanDerWaalsContact O-CD2 3.23Å; I194-F198 WeakPolarHBondContact O-CD2 3.27Å; I194-F198 PolarHBondContact O-N 3.1Å; I194-F198 VanDerWaalsContact O-N 3.14Å; S195-F198 PolarHBondContact O-N 3.29Å; F198-L200 VanDerWaalsContact C-N 3.32Å; F198-L200 PolarHBondContact O-N 3.49Å; F198-V201 PolarHBondContact O-N 3.38Å; F198-A202 WeakPolarHBondContact O-CB 3.4Å; F198-A202 PolarHBondContact O-N 2.86Å
199I94.2Very high92.3Very high1 Ų174.1 Ų74.11%0.00537%0.367CS..Hα-helixtrans-57.9-46.4175.1-71.2165.7000110.5R100 F101 I104 S195 Y196 V201 A202 I203R100-I199 HydrophobicContact CB-CD1 3.9Å; F101-I199 HydrophobicContact CB-CD1 4.21Å; F101-I199 HydrophobicContact CB-CG1 4.3Å; I104-I199 HydrophobicContact CD1-CG1 4.44Å; I104-I199 HydrophobicContact CD1-CG2 3.75Å; I104-I199 HydrophobicContact CG2-CG2 4.46Å; S195-I199 VanDerWaalsContact O-CG1 3.22Å; S195-I199 WeakPolarHBondContact O-CG1 3.5Å; S195-I199 PolarHBondContact O-N 3.44Å; Y196-I199 HydrophobicContact CD1-CD1 4.03Å; Y196-I199 HydrophobicContact CE1-CD1 4.08Å; Y196-I199 HydrophobicContact CG-CD1 4.34Å; Y196-I199 PolarHBondContact O-N 3.33Å; I199-V201 PolarHBondContact O-N 2.86Å; I199-A202 WeakPolarHBondContact O-CB 3.4Å; I199-A202 PolarHBondContact O-N 3.49Å; I199-I203 HydrophobicContact CG2-CD1 3.61Å; I199-I203 HydrophobicContact CG2-CG1 4.23Å; I199-I203 VanDerWaalsContact O-CG1 3.27Å; I199-I203 WeakPolarHBondContact O-CG1 3.44Å; I199-I203 PolarHBondContact O-N 2.87Å
200L92.3Very high92Very high81 Ų8178.9 Ų78.942%0.42439%0.388SS..Hα-helixtrans-60.8-45.1178.7-74.5170.7000111.5Y196 T197 F198 A202 I203 I204 F216Y196-L200 WeakPolarHBondContact O-CB 3.5Å; Y196-L200 VanDerWaalsContact O-CG 3.23Å; Y196-L200 WeakPolarHBondContact O-CG 3.24Å; Y196-L200 PolarHBondContact O-N 3.31Å; T197-L200 PolarHBondContact O-N 3.07Å; F198-L200 VanDerWaalsContact C-N 3.32Å; F198-L200 PolarHBondContact O-N 3.49Å; L200-A202 VanDerWaalsContact C-N 3.32Å; L200-A202 PolarHBondContact O-N 3.4Å; L200-I203 PolarHBondContact O-N 2.98Å; L200-I204 VanDerWaalsContact O-CG1 3.29Å; L200-I204 WeakPolarHBondContact O-CG1 3.17Å; L200-I204 PolarHBondContact O-N 3.49Å; L200-F216 HydrophobicContact CD2-CE1 4.48Å
201V92.1Very high91.4Very high61 Ų6176.3 Ų76.337%0.3738%0.38SS..Hα-helixtrans-59-44.6174.91730000111.1T197 F198 I199 I204 R205T197-V201 WeakPolarHBondContact O-CG2 3.39Å; T197-V201 PolarHBondContact O-N 2.86Å; T197-V201 VanDerWaalsContact O-N 3.08Å; F198-V201 PolarHBondContact O-N 3.38Å; I199-V201 PolarHBondContact O-N 2.86Å; V201-I204 PolarHBondContact O-N 2.96Å; V201-R205 WeakPolarHBondContact O-CG 3.39Å; V201-R205 PolarHBondContact O-N 3.32Å; V201-R205 VanDerWaalsContact O-N 3.14Å
202A91.4Very high90.9Very high23 Ų2377.7 Ų77.719%0.1938%0.38CS..Hα-helixtrans-62.4-45.7177.700000111.7I104 F198 I199 L200 I204 R205 M206I104-A202 HydrophobicContact CG2-CB 4Å; F198-A202 WeakPolarHBondContact O-CB 3.4Å; F198-A202 PolarHBondContact O-N 2.86Å; I199-A202 WeakPolarHBondContact O-CB 3.4Å; I199-A202 PolarHBondContact O-N 3.49Å; L200-A202 VanDerWaalsContact C-N 3.32Å; L200-A202 PolarHBondContact O-N 3.4Å; A202-I204 PolarHBondContact O-N 3.42Å; A202-R205 CarbonylContact O-C 3.56Å; A202-R205 PolarHBondContact O-N 3.37Å; A202-R205 VanDerWaalsContact O-N 3.13Å; A202-M206 WeakPolarHBondContact O-CG 3.38Å; A202-M206 PolarHBondContact O-N 2.82Å
203I90Very high90.4Very high3 Ų383.2 Ų83.22%0.01541%0.409CS..Hα-helixtrans-61-44.2178.5-69.6170.7000111.4I104 I199 L200 R205 M206 R212 A215 F216I104-I203 HydrophobicContact CG2-CG1 4.47Å; I199-I203 HydrophobicContact CG2-CD1 3.61Å; I199-I203 HydrophobicContact CG2-CG1 4.23Å; I199-I203 VanDerWaalsContact O-CG1 3.27Å; I199-I203 WeakPolarHBondContact O-CG1 3.44Å; I199-I203 PolarHBondContact O-N 2.87Å; L200-I203 PolarHBondContact O-N 2.98Å; I203-R205 PolarHBondContact O-N 3.41Å; I203-M206 WeakPolarHBondContact O-CB 3.31Å; I203-M206 PolarHBondContact O-N 3.36Å; I203-M206 VanDerWaalsContact O-N 3.16Å; I203-R212 HydrophobicContact CG2-CB 4.38Å; I203-R212 HydrophobicContact CG2-CG 4.18Å; I203-R212 PolarHBondContact O-NE 2.83Å; I203-A215 HydrophobicContact CD1-CB 3.7Å; I203-A215 HydrophobicContact CG1-CB 3.76Å; I203-F216 HydrophobicContact CG2-CD2 4.02Å; I203-F216 HydrophobicContact CG2-CE2 3.42Å; I203-F216 VanDerWaalsContact CG2-CE2 3.42Å; I203-F216 HydrophobicContact CG2-CZ 3.74Å
204I88.8Confident89.8Confident124 Ų12484.3 Ų84.364%0.63641%0.414SS*.Hα-helixtrans-60.6-37.7177.2-68.2165.6000110.5L200 V201 A202 R212L200-I204 VanDerWaalsContact O-CG1 3.29Å; L200-I204 WeakPolarHBondContact O-CG1 3.17Å; L200-I204 PolarHBondContact O-N 3.49Å; V201-I204 PolarHBondContact O-N 2.96Å; A202-I204 PolarHBondContact O-N 3.42Å; I204-R212 PolarHBondContact O-NH2 3.2Å
205R89.4Confident89.3Confident202 Ų20281.1 Ų81.176%0.76240%0.399SS*.Hα-helixtrans-77.4-18.1178.2-69.9179.2179.4-173.31.4114.3V201 A202 I203 R207V201-R205 WeakPolarHBondContact O-CG 3.39Å; V201-R205 PolarHBondContact O-N 3.32Å; V201-R205 VanDerWaalsContact O-N 3.14Å; A202-R205 CarbonylContact O-C 3.56Å; A202-R205 PolarHBondContact O-N 3.37Å; A202-R205 VanDerWaalsContact O-N 3.13Å; I203-R205 PolarHBondContact O-N 3.41Å; R205-R207 PolarHBondContact O-N 3.34Å
206M90Very high88.6Confident65 Ų6586.2 Ų86.232%0.3242%0.42SS..  trans-60.6136.8177.2-73-179128.300110.7A202 I203 R212A202-M206 WeakPolarHBondContact O-CG 3.38Å; A202-M206 PolarHBondContact O-N 2.82Å; I203-M206 WeakPolarHBondContact O-CB 3.31Å; I203-M206 PolarHBondContact O-N 3.36Å; I203-M206 VanDerWaalsContact O-N 3.16Å; M206-R212 HydrophobicContact CB-CG 3.94Å; M206-R212 PolarHBondContact O-NE 3.38Å; M206-R212 PolarHBondContact O-NH2 3.05Å
207R86.8Confident87.9Confident249 Ų24989 Ų8994%0.9444%0.442SS*.  trans-88.4-22.8177.7-65-174.2-179.9-179.5-0.1113.9R205R205-R207 PolarHBondContact O-N 3.34Å
208S90.1Very high87.2Confident63 Ų6387.9 Ų87.944%0.44143%0.434SS..  trans-85.5121.7-178.8172.60000111.8E210 G211 R212S208-E210 VanDerWaalsContact C-N 3.32Å; S208-E210 PolarHBondContact O-N 3.25Å; S208-E210 PolarHBondContact OG-N 3Å; S208-G211 PolarHBondContact O-N 3.41Å; S208-G211 PolarHBondContact OG-N 3.38Å; S208-G211 VanDerWaalsContact OG-N 3.13Å; S208-R212 WeakPolarHBondContact O-CG 3.21Å; S208-R212 PolarHBondContact O-N 3.06Å
209A86.5Confident86.8Confident66 Ų6682.8 Ų82.855%0.54541%0.412SS..Hα-helixtrans-62.3-38.4174.700000112.2R212 L213A209-R212 PolarHBondContact O-N 3.45Å; A209-L213 WeakPolarHBondContact O-CG 3.28Å; A209-L213 PolarHBondContact O-N 2.86Å
210E85.3Confident86.3Confident159 Ų15983.8 Ų83.874%0.74342%0.423SS*.Hα-helixtrans-65.8-41.5175.1-67.4-179.6165.200111.8S208 R212 L213 K214S208-E210 VanDerWaalsContact C-N 3.32Å; S208-E210 PolarHBondContact O-N 3.25Å; S208-E210 PolarHBondContact OG-N 3Å; E210-R212 PolarHBondContact O-N 2.87Å; E210-L213 PolarHBondContact O-N 2.78Å; E210-K214 WeakPolarHBondContact O-CB 3.18Å; E210-K214 PolarHBondContact O-N 3.42Å
211G82.7Confident85.9Confident22 Ų2280.1 Ų80.123%0.22740%0.404CS..Hα-helixtrans-60.1-44.2175.100000112.2S208 K214 A215S208-G211 PolarHBondContact O-N 3.41Å; S208-G211 PolarHBondContact OG-N 3.38Å; S208-G211 VanDerWaalsContact OG-N 3.13Å; G211-K214 PolarHBondContact O-N 2.76Å; G211-A215 WeakPolarHBondContact O-CB 3.31Å; G211-A215 PolarHBondContact O-N 3.39Å
212R85.7Confident85.7Confident102 Ų10277.2 Ų77.239%0.38539%0.387SS..Hα-helixtrans-61-50174.7-69.9175.3179.4-178-1.2111.8I203 I204 M206 S208 A209 E210 K214 A215 F216I203-R212 HydrophobicContact CG2-CB 4.38Å; I203-R212 HydrophobicContact CG2-CG 4.18Å; I203-R212 PolarHBondContact O-NE 2.83Å; I204-R212 PolarHBondContact O-NH2 3.2Å; M206-R212 HydrophobicContact CB-CG 3.94Å; M206-R212 PolarHBondContact O-NE 3.38Å; M206-R212 PolarHBondContact O-NH2 3.05Å; S208-R212 WeakPolarHBondContact O-CG 3.21Å; S208-R212 PolarHBondContact O-N 3.06Å; A209-R212 PolarHBondContact O-N 3.45Å; E210-R212 PolarHBondContact O-N 2.87Å; R212-K214 VanDerWaalsContact C-N 3.32Å; R212-K214 PolarHBondContact O-N 2.88Å; R212-A215 PolarHBondContact O-N 2.99Å; R212-F216 VanDerWaalsContact O-CD2 3.24Å; R212-F216 WeakPolarHBondContact O-CD2 3.38Å; R212-F216 PolarHBondContact O-N 3.28Å
213L83.9Confident85.5Confident125 Ų12578.9 Ų78.965%0.65439%0.392SS*.Hα-helixtrans-58.8-43.3179.3-81163.9000111.9A209 E210 S217A209-L213 WeakPolarHBondContact O-CG 3.28Å; A209-L213 PolarHBondContact O-N 2.86Å; E210-L213 PolarHBondContact O-N 2.78Å; L213-S217 WeakPolarHBondContact O-CB 3.33Å; L213-S217 PolarHBondContact O-N 2.75Å
214K82.6Confident85.4Confident160 Ų16080.8 Ų80.870%0.69640%0.404SS*.Hα-helixtrans-63.4-44.4176.4-171.9176.4-178.9-179.90111.6E210 G211 R212 S217 T218E210-K214 WeakPolarHBondContact O-CB 3.18Å; E210-K214 PolarHBondContact O-N 3.42Å; G211-K214 PolarHBondContact O-N 2.76Å; R212-K214 VanDerWaalsContact C-N 3.32Å; R212-K214 PolarHBondContact O-N 2.88Å; K214-S217 PolarHBondContact O-N 3.45Å; K214-T218 WeakPolarHBondContact O-CB 3.25Å; K214-T218 PolarHBondContact O-N 2.8Å; K214-T218 VanDerWaalsContact O-N 3.1Å; K214-T218 PolarHBondContact O-OG1 3.43Å
215A84.6Confident85.2Confident9 Ų974.9 Ų74.97%0.07437%0.374CS..Hα-helixtrans-62-48.8177.400000111.5I104 I203 G211 R212 S217 T218 C219I104-A215 HydrophobicContact CD1-CB 4.29Å; I203-A215 HydrophobicContact CD1-CB 3.7Å; I203-A215 HydrophobicContact CG1-CB 3.76Å; G211-A215 WeakPolarHBondContact O-CB 3.31Å; G211-A215 PolarHBondContact O-N 3.39Å; R212-A215 PolarHBondContact O-N 2.99Å; A215-S217 PolarHBondContact O-N 3.39Å; A215-T218 PolarHBondContact O-N 2.91Å; A215-C219 VanDerWaalsContact O-CB 3.26Å; A215-C219 WeakPolarHBondContact O-CB 3.4Å; A215-C219 PolarHBondContact O-N 3.5Å; A215-C219 PolarHBondContact O-SG 3.36Å
216F82.4Confident85.1Confident113 Ų11365.9 Ų65.950%0.49634%0.341SS..Hα-helixtrans-60-43.7176.9-84.4-64.7000113.1L200 I203 R212 T218 G220L200-F216 HydrophobicContact CD2-CE1 4.48Å; I203-F216 HydrophobicContact CG2-CD2 4.02Å; I203-F216 HydrophobicContact CG2-CE2 3.42Å; I203-F216 VanDerWaalsContact CG2-CE2 3.42Å; I203-F216 HydrophobicContact CG2-CZ 3.74Å; R212-F216 VanDerWaalsContact O-CD2 3.24Å; R212-F216 WeakPolarHBondContact O-CD2 3.38Å; R212-F216 PolarHBondContact O-N 3.28Å; F216-T218 VanDerWaalsContact C-N 3.25Å; F216-T218 PolarHBondContact O-N 3.02Å; F216-G220 WeakPolarHBondContact O-CA 3.26Å; F216-G220 PolarHBondContact O-N 3.28Å
217S78Confident84.9Confident70 Ų7067.2 Ų67.249%0.4935%0.353SS..Hα-helixtrans-61.6-38177.8-173.90000111.8L213 K214 A215L213-S217 WeakPolarHBondContact O-CB 3.33Å; L213-S217 PolarHBondContact O-N 2.75Å; K214-S217 PolarHBondContact O-N 3.45Å; A215-S217 PolarHBondContact O-N 3.39Å
218T79.3Confident84.7Confident35 Ų3558.5 Ų58.522%0.21533%0.325CS..Hα-helixtrans-77.6-52.1-175.7-51.20000110.8K214 A215 F216 G220 S221K214-T218 WeakPolarHBondContact O-CB 3.25Å; K214-T218 PolarHBondContact O-N 2.8Å; K214-T218 VanDerWaalsContact O-N 3.1Å; K214-T218 PolarHBondContact O-OG1 3.43Å; A215-T218 PolarHBondContact O-N 2.91Å; F216-T218 VanDerWaalsContact C-N 3.25Å; F216-T218 PolarHBondContact O-N 3.02Å; T218-G220 VanDerWaalsContact C-N 3.33Å; T218-G220 PolarHBondContact O-N 2.93Å; T218-S221 PolarHBondContact O-N 2.99Å; T218-S221 PolarHBondContact O-OG 3.22Å
219C85.8Confident84.4Confident5 Ų555.7 Ų55.73%0.03431%0.305CS..Hα-helixtrans-63.4-36.8176.7-73.70000112.8I104 Y196 A215 S221 H222 L223I104-C219 WeakPolarHBondContact CD1-SG 3.27Å; Y196-C219 HydrophobicContact CE1-CB 3.83Å; A215-C219 VanDerWaalsContact O-CB 3.26Å; A215-C219 WeakPolarHBondContact O-CB 3.4Å; A215-C219 PolarHBondContact O-N 3.5Å; A215-C219 PolarHBondContact O-SG 3.36Å; C219-S221 VanDerWaalsContact C-N 3.31Å; C219-S221 PolarHBondContact O-N 3.19Å; C219-H222 PolarHBondContact O-N 3.34Å; C219-L223 WeakPolarHBondContact O-CB 3.05Å; C219-L223 PolarHBondContact O-N 2.91Å
220G84.9Confident84.1Confident23 Ų2353.2 Ų53.224%0.23728%0.281CS..Hα-helixtrans-62.3-36.9-179.300000112.7F216 T218 T224F216-G220 WeakPolarHBondContact O-CA 3.26Å; F216-G220 PolarHBondContact O-N 3.28Å; T218-G220 VanDerWaalsContact C-N 3.33Å; T218-G220 PolarHBondContact O-N 2.93Å; G220-T224 WeakPolarHBondContact O-CB 3.49Å; G220-T224 PolarHBondContact O-N 2.94Å; G220-T224 PolarHBondContact O-OG1 3.36Å
221S83Confident83.8Confident3 Ų347.4 Ų47.42%0.02126%0.264CS..Hα-helixtrans-63-48.4175.565.50000112T218 C219 T224 G225 I267T218-S221 PolarHBondContact O-N 2.99Å; T218-S221 PolarHBondContact O-OG 3.22Å; C219-S221 VanDerWaalsContact C-N 3.31Å; C219-S221 PolarHBondContact O-N 3.19Å; S221-T224 WeakPolarHBondContact O-CB 3.34Å; S221-T224 PolarHBondContact O-N 3.34Å; S221-G225 PolarHBondContact O-N 2.87Å; S221-G225 VanDerWaalsContact O-N 3.11Å; S221-I267 WeakPolarHBondContact O-CG2 3.36Å
222H88.6Confident83.4Confident0 Ų048 Ų480%026%0.263CS..Hα-helixtrans-64.7-47.3177.7-177.6-92.7000112.4L93 M96 Y196 C219 T224 G225 V226 Y268L93-H222 PolarHBondContact O-CE1 2.92Å; L93-H222 PolarHBondContact O-NE2 3.42Å; M96-H222 VanDerWaalsContact CB-NE2 3.32Å; M96-H222 WeakPolarHBondContact CB-NE2 3.34Å; Y196-H222 AromaticContact CE2-CE1 3.94Å; Y196-H222 AromaticContact CE2-ND1 3.45Å; Y196-H222 WeakPolarHBondContact CE2-ND1 3.23Å; Y196-H222 AromaticContact CZ-ND1 3.47Å; Y196-H222 VanDerWaalsContact OH-CB 3.31Å; Y196-H222 WeakPolarHBondContact OH-CB 3.45Å; Y196-H222 VanDerWaalsContact OH-CG 3.24Å; Y196-H222 PolarHBondContact OH-ND1 3.26Å; C219-H222 PolarHBondContact O-N 3.34Å; H222-T224 PolarHBondContact O-N 3.46Å; H222-G225 PolarHBondContact O-N 3Å; H222-V226 WeakPolarHBondContact CE1-CG2 3.4Å; H222-V226 WeakPolarHBondContact O-CG2 3.24Å; H222-V226 PolarHBondContact O-N 3.32Å; H222-Y268 HydrophobicContact CB-CE1 4.33Å; H222-Y268 PolarHBondContact CD2-OH 3.47Å
223L87.8Confident82.7Confident58 Ų5843.6 Ų43.630%0.30425%0.247SC..Hα-helixtrans-59.7-36.6175.9-77.8173.9000112Y196 C219 G225 V226 T227Y196-L223 HydrophobicContact CD1-CD1 3.62Å; Y196-L223 HydrophobicContact CD1-CD2 3.75Å; Y196-L223 HydrophobicContact CD1-CG 3.72Å; Y196-L223 HydrophobicContact CD2-CD2 3.81Å; Y196-L223 HydrophobicContact CD2-CG 4.49Å; Y196-L223 HydrophobicContact CE1-CD1 3.72Å; Y196-L223 HydrophobicContact CE1-CD2 3.88Å; Y196-L223 HydrophobicContact CE1-CG 3.49Å; Y196-L223 VanDerWaalsContact CE1-CG 3.49Å; Y196-L223 HydrophobicContact CE2-CD2 3.96Å; Y196-L223 HydrophobicContact CE2-CG 4.32Å; Y196-L223 HydrophobicContact CG-CD1 4.36Å; Y196-L223 HydrophobicContact CG-CD2 3.72Å; Y196-L223 HydrophobicContact CG-CG 4.22Å; C219-L223 WeakPolarHBondContact O-CB 3.05Å; C219-L223 PolarHBondContact O-N 2.91Å; L223-G225 VanDerWaalsContact C-N 3.35Å; L223-G225 PolarHBondContact O-N 3.43Å; L223-V226 PolarHBondContact O-N 2.89Å; L223-T227 VanDerWaalsContact O-CB 3.26Å; L223-T227 WeakPolarHBondContact O-CB 3.2Å; L223-T227 PolarHBondContact O-N 3.45Å; L223-T227 PolarHBondContact O-OG1 3.48Å
224T86.4Confident82.1Confident44 Ų4440.2 Ų40.227%0.2723%0.229SC..Hα-helixtrans-61-45.3173.9-55.70000110.8G220 S221 H222 L228 I267 R271G220-T224 WeakPolarHBondContact O-CB 3.49Å; G220-T224 PolarHBondContact O-N 2.94Å; G220-T224 PolarHBondContact O-OG1 3.36Å; S221-T224 WeakPolarHBondContact O-CB 3.34Å; S221-T224 PolarHBondContact O-N 3.34Å; H222-T224 PolarHBondContact O-N 3.46Å; T224-L228 HydrophobicContact CG2-CD1 4.04Å; T224-L228 WeakPolarHBondContact O-CB 3.44Å; T224-L228 VanDerWaalsContact O-CG 3.31Å; T224-L228 WeakPolarHBondContact O-CG 3.3Å; T224-L228 PolarHBondContact O-N 3.08Å; T224-I267 HydrophobicContact CG2-CD1 4.39Å; T224-I267 HydrophobicContact CG2-CG1 4.4Å; T224-I267 HydrophobicContact CG2-CG2 4.29Å; T224-R271 PolarHBondContact OG1-NH1 3.31Å; T224-R271 VanDerWaalsContact OG1-NH1 3.16Å
225G84.9Confident81.4Confident0 Ų038.9 Ų38.90%022%0.223CC..Hα-helixtrans-61.6-51175.900000112.6S221 H222 L223 T227 L228 F229S221-G225 PolarHBondContact O-N 2.87Å; S221-G225 VanDerWaalsContact O-N 3.11Å; H222-G225 PolarHBondContact O-N 3Å; L223-G225 VanDerWaalsContact C-N 3.35Å; L223-G225 PolarHBondContact O-N 3.43Å; G225-T227 PolarHBondContact O-N 3.47Å; G225-L228 PolarHBondContact O-N 2.47Å; G225-F229 WeakPolarHBondContact O-CB 3.19Å; G225-F229 PolarHBondContact O-N 3.02Å
226V87.3Confident80.2Confident12 Ų1239.6 Ų39.67%0.07323%0.226CC..Hα-helixtrans-57.2-47.5177.11680000111.7L93 I192 H222 L223 L228 F229 Y230L93-V226 HydrophobicContact CD2-CG2 4.39Å; I192-V226 HydrophobicContact CD1-CG1 4.2Å; I192-V226 HydrophobicContact CD1-CG2 4.28Å; I192-V226 HydrophobicContact CG2-CG1 4.01Å; H222-V226 WeakPolarHBondContact CE1-CG2 3.4Å; H222-V226 WeakPolarHBondContact O-CG2 3.24Å; H222-V226 PolarHBondContact O-N 3.32Å; L223-V226 PolarHBondContact O-N 2.89Å; V226-L228 VanDerWaalsContact C-N 3.33Å; V226-L228 PolarHBondContact O-N 2.94Å; V226-F229 PolarHBondContact O-N 3.08Å; V226-Y230 HydrophobicContact CG1-CD2 3.76Å; V226-Y230 HydrophobicContact CG1-CE2 4.24Å; V226-Y230 PolarHBondContact O-N 3.5Å
227T85.6Confident79.1Confident94 Ų9439 Ų3958%0.57722%0.221SC*.Hα-helixtrans-65.5-37.7-179.6-620000111.5L223 G225 G231L223-T227 VanDerWaalsContact O-CB 3.26Å; L223-T227 WeakPolarHBondContact O-CB 3.2Å; L223-T227 PolarHBondContact O-N 3.45Å; L223-T227 PolarHBondContact O-OG1 3.48Å; G225-T227 PolarHBondContact O-N 3.47Å; T227-G231 WeakPolarHBondContact O-CA 3.28Å; T227-G231 PolarHBondContact O-N 3.01Å
228L82.9Confident78.1Confident65 Ų6542.1 Ų42.134%0.3423%0.231SC..Hα-helixtrans-66.3-46.5174.7-75.6167.2000111.3T224 G225 V226 T232 I260 L263 I267T224-L228 HydrophobicContact CG2-CD1 4.04Å; T224-L228 WeakPolarHBondContact O-CB 3.44Å; T224-L228 VanDerWaalsContact O-CG 3.31Å; T224-L228 WeakPolarHBondContact O-CG 3.3Å; T224-L228 PolarHBondContact O-N 3.08Å; G225-L228 PolarHBondContact O-N 2.47Å; V226-L228 VanDerWaalsContact C-N 3.33Å; V226-L228 PolarHBondContact O-N 2.94Å; L228-T232 WeakPolarHBondContact O-CB 3.4Å; L228-T232 PolarHBondContact O-N 2.74Å; L228-T232 PolarHBondContact O-OG1 3.07Å; L228-I260 WeakPolarHBondContact O-CD1 3.09Å; L228-L263 HydrophobicContact CD1-CD1 4.45Å; L228-I267 HydrophobicContact CD1-CD1 3.47Å; L228-I267 VanDerWaalsContact CD1-CD1 3.47Å
229F83.4Confident76.8Confident5 Ų544.6 Ų44.62%0.02224%0.237CC..Hα-helixtrans-61.1-68.9178.4-176.6-95.3000111.8V86 E89 C90 L93 G225 V226 G231 T232 V233 I260V86-F229 HydrophobicContact CG1-CZ 4.13Å; E89-F229 HydrophobicContact CG-CD2 4.32Å; E89-F229 HydrophobicContact CG-CE2 3.87Å; E89-F229 HydrophobicContact CG-CZ 4.09Å; E89-F229 WeakPolarHBondContact OE1-CD2 3.46Å; E89-F229 VanDerWaalsContact OE2-CE2 3.26Å; E89-F229 WeakPolarHBondContact OE2-CE2 3.26Å; C90-F229 VanDerWaalsContact SG-CE1 3.55Å; L93-F229 HydrophobicContact CD1-CB 4.3Å; L93-F229 HydrophobicContact CD1-CD1 3.87Å; L93-F229 HydrophobicContact CD1-CE1 4.38Å; L93-F229 HydrophobicContact CD1-CG 4.02Å; G225-F229 WeakPolarHBondContact O-CB 3.19Å; G225-F229 PolarHBondContact O-N 3.02Å; V226-F229 PolarHBondContact O-N 3.08Å; F229-G231 VanDerWaalsContact C-N 3.35Å; F229-G231 PolarHBondContact O-N 3.38Å; F229-T232 PolarHBondContact O-N 3.4Å; F229-V233 WeakPolarHBondContact O-CG2 3.41Å; F229-V233 PolarHBondContact O-N 3.25Å; F229-I260 HydrophobicContact CB-CG2 4.34Å; F229-I260 HydrophobicContact CD2-CG2 4.18Å
230Y81.8Confident74.8Confident14 Ų1448 Ų486%0.05526%0.259CS..Hα-helixtrans-68.3-32.7-176.4-72.9-77000113L93 T188 I189 I192 V226 T232 V233 M234L93-Y230 HydrophobicContact CD1-CE2 4.22Å; T188-Y230 WeakPolarHBondContact CB-OH 3.3Å; T188-Y230 PolarHBondContact OG1-OH 2.93Å; I189-Y230 HydrophobicContact CD1-CD1 3.58Å; I189-Y230 HydrophobicContact CD1-CE1 3.9Å; I189-Y230 HydrophobicContact CD1-CG 4.25Å; I189-Y230 HydrophobicContact CG1-CD1 3.52Å; I189-Y230 HydrophobicContact CG1-CD2 4.44Å; I189-Y230 HydrophobicContact CG1-CE1 3.48Å; I189-Y230 VanDerWaalsContact CG1-CE1 3.48Å; I189-Y230 HydrophobicContact CG1-CE2 4.43Å; I189-Y230 HydrophobicContact CG1-CG 4Å; I192-Y230 HydrophobicContact CD1-CE2 3.66Å; V226-Y230 HydrophobicContact CG1-CD2 3.76Å; V226-Y230 HydrophobicContact CG1-CE2 4.24Å; V226-Y230 PolarHBondContact O-N 3.5Å; Y230-T232 VanDerWaalsContact C-N 3.28Å; Y230-T232 PolarHBondContact O-N 2.91Å; Y230-V233 PolarHBondContact O-N 2.85Å; Y230-M234 VanDerWaalsContact O-CB 3.31Å; Y230-M234 WeakPolarHBondContact O-CB 3.34Å; Y230-M234 WeakPolarHBondContact O-CG 3.39Å; Y230-M234 PolarHBondContact O-N 2.92Å
231G78.7Confident73.2Confident36 Ų3653.2 Ų53.237%0.37129%0.286SS..Hα-helixtrans-63.8-35.7177.400000112.2T227 F229 F235T227-G231 WeakPolarHBondContact O-CA 3.28Å; T227-G231 PolarHBondContact O-N 3.01Å; F229-G231 VanDerWaalsContact C-N 3.35Å; F229-G231 PolarHBondContact O-N 3.38Å; G231-F235 VanDerWaalsContact O-CB 3.24Å; G231-F235 WeakPolarHBondContact O-CB 3.38Å; G231-F235 PolarHBondContact O-N 2.83Å
232T73.1Confident71.3Confident35 Ų3558.2 Ų58.222%0.21532%0.321CS..Hα-helixtrans-72.7-43.7176.4-52.80000111.3L228 F229 Y230 F235 M236 I260L228-T232 WeakPolarHBondContact O-CB 3.4Å; L228-T232 PolarHBondContact O-N 2.74Å; L228-T232 PolarHBondContact O-OG1 3.07Å; F229-T232 PolarHBondContact O-N 3.4Å; Y230-T232 VanDerWaalsContact C-N 3.28Å; Y230-T232 PolarHBondContact O-N 2.91Å; T232-F235 PolarHBondContact O-N 3.49Å; T232-M236 WeakPolarHBondContact O-CB 3.34Å; T232-M236 PolarHBondContact O-N 3.43Å; T232-I260 HydrophobicContact CG2-CD1 4.04Å; T232-I260 WeakPolarHBondContact OG1-CD1 3.39Å
233V71.5Confident69.4Low9 Ų960.9 Ų60.96%0.05534%0.34CS..Hα-helixtrans-57.8-50.7175.2172.70000110.7E185 F229 Y230 F235 M236 Y237E185-V233 WeakPolarHBondContact OE1-CG1 3.48Å; F229-V233 WeakPolarHBondContact O-CG2 3.41Å; F229-V233 PolarHBondContact O-N 3.25Å; Y230-V233 PolarHBondContact O-N 2.85Å; V233-F235 PolarHBondContact O-N 3Å; V233-M236 WeakPolarHBondContact O-CB 3.33Å; V233-M236 PolarHBondContact O-N 3.34Å; V233-M236 VanDerWaalsContact O-N 3.16Å; V233-Y237 HydrophobicContact CG1-CD2 3.8Å; V233-Y237 HydrophobicContact CG1-CE2 3.98Å; V233-Y237 WeakPolarHBondContact O-CD2 3.5Å; V233-Y237 PolarHBondContact O-N 2.82Å
234M71.9Confident67.7Low55 Ų5564.6 Ų64.627%0.27135%0.351SS..Hα-helixtrans-63.5-40.3178.7-69.3-69.3131.600112.6E185 I189 Y230 M236 Y237 L238E185-M234 WeakPolarHBondContact OE2-CE 3.44Å; I189-M234 HydrophobicContact CD1-CE 4.06Å; Y230-M234 VanDerWaalsContact O-CB 3.31Å; Y230-M234 WeakPolarHBondContact O-CB 3.34Å; Y230-M234 WeakPolarHBondContact O-CG 3.39Å; Y230-M234 PolarHBondContact O-N 2.92Å; M234-M236 PolarHBondContact O-N 2.89Å; M234-Y237 PolarHBondContact O-N 3.43Å; M234-L238 HydrophobicContact CB-CD1 4.14Å; M234-L238 VanDerWaalsContact O-CB 3.23Å; M234-L238 WeakPolarHBondContact O-CB 3.12Å; M234-L238 WeakPolarHBondContact O-CG 2.91Å; M234-L238 PolarHBondContact O-N 3.34Å; M234-L238 HydrophobicContact SD-CD1 3.87Å; M234-L238 HydrophobicContact SD-CG 4.38Å
235F66.8Low66Low131 Ų13164.6 Ų64.658%0.57535%0.353SS*.Hα-helixtrans-62.3-34.4176.2178.3-97.4000112.4G231 T232 V233G231-F235 VanDerWaalsContact O-CB 3.24Å; G231-F235 WeakPolarHBondContact O-CB 3.38Å; G231-F235 PolarHBondContact O-N 2.83Å; T232-F235 PolarHBondContact O-N 3.49Å; V233-F235 PolarHBondContact O-N 3Å
236M60.4Low64.5Low24 Ų2468.8 Ų68.812%0.11838%0.375CS..Hα-helixtrans-73.5-46.4178.7-174.8170.6165.100111.8T232 V233 M234 A252 Y256T232-M236 WeakPolarHBondContact O-CB 3.34Å; T232-M236 PolarHBondContact O-N 3.43Å; V233-M236 WeakPolarHBondContact O-CB 3.33Å; V233-M236 PolarHBondContact O-N 3.34Å; V233-M236 VanDerWaalsContact O-N 3.16Å; M234-M236 PolarHBondContact O-N 2.89Å; M236-A252 HydrophobicContact CG-CB 4.45Å; M236-A252 HydrophobicContact SD-CB 4.21Å; M236-Y256 HydrophobicContact CE-CE1 3.97Å; M236-Y256 HydrophobicContact SD-CD1 3.8Å; M236-Y256 HydrophobicContact SD-CE1 3.4Å; M236-Y256 WeakPolarHBondContact SD-CE1 3.36Å
237Y58.4Low62.8Low101 Ų10173.1 Ų73.140%0.39640%0.397SS..Hα-helixtrans-88.4-25.2-173.4-68-69.9000115.2E158 V233 M234 R239E158-Y237 PolarHBondContact OE1-OH 2.87Å; V233-Y237 HydrophobicContact CG1-CD2 3.8Å; V233-Y237 HydrophobicContact CG1-CE2 3.98Å; V233-Y237 WeakPolarHBondContact O-CD2 3.5Å; V233-Y237 PolarHBondContact O-N 2.82Å; M234-Y237 PolarHBondContact O-N 3.43Å; Y237-R239 VanDerWaalsContact C-N 3.3Å; Y237-R239 PolarHBondContact O-N 2.97Å
238L56.8Low61.3Low136 Ų13673 Ų7371%0.71239%0.39SS*.THydrogen-bonded Turntrans-89.510.2179.3-62.1175.3000113.8M234M234-L238 HydrophobicContact CB-CD1 4.14Å; M234-L238 VanDerWaalsContact O-CB 3.23Å; M234-L238 WeakPolarHBondContact O-CB 3.12Å; M234-L238 WeakPolarHBondContact O-CG 2.91Å; M234-L238 PolarHBondContact O-N 3.34Å; M234-L238 HydrophobicContact SD-CD1 3.87Å; M234-L238 HydrophobicContact SD-CG 4.38Å
239R53.8Low60.1Low86 Ų8671.1 Ų71.133%0.32538%0.381SS..  trans-74.1130.5-176.5-143175.9-157.7-153.30.3110.5Y237 T241Y237-R239 VanDerWaalsContact C-N 3.3Å; Y237-R239 PolarHBondContact O-N 2.97Å; R239-T241 PolarHBondContact O-N 2.88Å
240P43.7Very low59.1Low77 Ų7772.3 Ų72.350%0.539%0.386SS..  trans-62.1137.717922-30.3000110.8S242 S243P240-S242 PolarHBondContact O-N 3.11Å; P240-S243 PolarHBondContact O-N 2.69Å
241T49.8Very low58.1Low132 Ų13276.3 Ų76.381%0.8140%0.401SS*.G310 helixtrans-54.1-23.2-179.537.20000113.8R239 S243 Y244R239-T241 PolarHBondContact O-N 2.88Å; T241-S243 PolarHBondContact O-N 3.39Å; T241-Y244 WeakPolarHBondContact O-CB 3.43Å; T241-Y244 PolarHBondContact O-N 3.49Å
242S43.3Very low57.2Low108 Ų10875.6 Ų75.676%0.75539%0.391SS*.G310 helixtrans-68.4-17.7174.358.70000114.7P240P240-S242 PolarHBondContact O-N 3.11Å
243S49.5Very low56.7Low56 Ų5674 Ų7439%0.39238%0.381SS..G310 helixtrans-105.29.6178.4-47.30000112.5P240 T241P240-S243 PolarHBondContact O-N 2.69Å; T241-S243 PolarHBondContact O-N 3.39Å
244Y51.2Low56.3Low136 Ų13673.6 Ų73.653%0.53338%0.379SS..  trans-74.1123.9-171.7-168.2-103.5000111.2T241 L246 D249T241-Y244 WeakPolarHBondContact O-CB 3.43Å; T241-Y244 PolarHBondContact O-N 3.49Å; Y244-L246 HydrophobicContact CE1-CD2 4.32Å; Y244-D249 WeakPolarHBondContact CE2-OD2 2.98Å; Y244-D249 PolarHBondContact OH-OD2 3.2Å
245S51.1Low56Low45 Ų4576.1 Ų76.132%0.31539%0.389SS..  trans-144.1127.5169.266.70000110.6D247 Q248 D249S245-D247 PolarHBondContact O-N 3.43Å; S245-D247 VanDerWaalsContact O-N 3.1Å; S245-Q248 PolarHBondContact O-N 3.47Å; S245-Q248 WeakPolarHBondContact OG-CB 3.23Å; S245-Q248 WeakPolarHBondContact OG-CG 3.03Å; S245-Q248 PolarHBondContact OG-OE1 3.38Å; S245-D249 PolarHBondContact O-N 3.16Å
246L53.4Low55.9Low88 Ų8870.5 Ų70.546%0.46136%0.364SS..Hα-helixtrans-56.9-27.9-177.9-71166.4000113.2Y244 K250Y244-L246 HydrophobicContact CE1-CD2 4.32Å; L246-K250 WeakPolarHBondContact O-CG 2.96Å; L246-K250 PolarHBondContact O-N 3.4Å
247D52.2Low56.2Low102 Ų10269.3 Ų69.355%0.54536%0.358SS..Hα-helixtrans-78-25.6177.9-71.3-33.9000113.2S245 K250S245-D247 PolarHBondContact O-N 3.43Å; S245-D247 VanDerWaalsContact O-N 3.1Å; D247-K250 IonicContact OD1-NZ 2.82Å; D247-K250 PolarHBondContact OD1-NZ 2.92Å
248Q52.9Low56.5Low91 Ų9164.5 Ų64.543%0.42534%0.339SS..Hα-helixtrans-78.1-36.1173.2-80.5-179.5-22.100112.5S245 K250 W251 A252S245-Q248 PolarHBondContact O-N 3.47Å; S245-Q248 WeakPolarHBondContact OG-CB 3.23Å; S245-Q248 WeakPolarHBondContact OG-CG 3.03Å; S245-Q248 PolarHBondContact OG-OE1 3.38Å; Q248-K250 VanDerWaalsContact C-N 3.28Å; Q248-K250 PolarHBondContact O-N 3.03Å; Q248-W251 PolarHBondContact O-N 3.3Å; Q248-W251 VanDerWaalsContact O-N 3.11Å; Q248-A252 WeakPolarHBondContact O-CB 3.21Å; Q248-A252 PolarHBondContact O-N 2.87Å
249D58.3Low57.1Low27 Ų2759.7 Ų59.714%0.14431%0.314CS..Hα-helixtrans-62.3-36.7176.8-74.7-0.8000111.7Y244 S245 W251 A252 S253Y244-D249 WeakPolarHBondContact CE2-OD2 2.98Å; Y244-D249 PolarHBondContact OH-OD2 3.2Å; S245-D249 PolarHBondContact O-N 3.16Å; D249-W251 VanDerWaalsContact C-N 3.34Å; D249-W251 PolarHBondContact O-N 3.12Å; D249-A252 PolarHBondContact O-N 2.87Å; D249-S253 WeakPolarHBondContact O-CB 3.16Å; D249-S253 PolarHBondContact O-N 3.44Å; D249-S253 PolarHBondContact O-OG 3.1Å
250K63.1Low58Low29 Ų2955.9 Ų55.913%0.12630%0.3CS..Hα-helixtrans-57.9-41.9171.5-76.5176.5-165160.90113.6N153 F155 L246 D247 Q248 S253 V254N153-K250 VanDerWaalsContact C-CE 3.47Å; N153-K250 WeakPolarHBondContact O-CE 3.42Å; N153-K250 WeakPolarHBondContact OD1-CE 3.26Å; N153-K250 PolarHBondContact OD1-NZ 3.33Å; F155-K250 HydrophobicContact CD2-CB 3.84Å; F155-K250 HydrophobicContact CD2-CG 4.31Å; F155-K250 VanDerWaalsContact CD2-O 3.27Å; F155-K250 WeakPolarHBondContact CD2-O 3.39Å; F155-K250 HydrophobicContact CE2-CB 3.66Å; F155-K250 HydrophobicContact CE2-CG 4.38Å; F155-K250 WeakPolarHBondContact CE2-O 3.27Å; L246-K250 WeakPolarHBondContact O-CG 2.96Å; L246-K250 PolarHBondContact O-N 3.4Å; D247-K250 IonicContact OD1-NZ 2.82Å; D247-K250 PolarHBondContact OD1-NZ 2.92Å; Q248-K250 VanDerWaalsContact C-N 3.28Å; Q248-K250 PolarHBondContact O-N 3.03Å; K250-S253 PolarHBondContact O-OG 3.03Å; K250-V254 WeakPolarHBondContact O-CG2 3.2Å; K250-V254 PolarHBondContact O-N 2.01Å
251W60.5Low59.1Low99 Ų9952.2 Ų52.238%0.37528%0.276SS..Hα-helixtrans-77.2-40.1178.8-71.8107.7000110.9F5 F9 Q248 D249 S253 V254 F255F5-W251 AromaticContact CD1-CH2 3.55Å; F5-W251 HydrophobicContact CD1-CH2 3.55Å; F5-W251 HydrophobicContact CD1-CZ3 4.27Å; F5-W251 HydrophobicContact CD2-CH2 4.41Å; F5-W251 AromaticContact CE1-CH2 3.32Å; F5-W251 HydrophobicContact CE1-CH2 3.32Å; F5-W251 AromaticContact CE1-CZ2 4Å; F5-W251 HydrophobicContact CE1-CZ2 4Å; F5-W251 HydrophobicContact CE1-CZ3 4.15Å; F5-W251 HydrophobicContact CE2-CH2 4.22Å; F5-W251 HydrophobicContact CE2-CZ2 4.31Å; F5-W251 HydrophobicContact CG-CH2 4.11Å; F5-W251 AromaticContact CZ-CH2 3.68Å; F5-W251 HydrophobicContact CZ-CH2 3.68Å; F5-W251 AromaticContact CZ-CZ2 3.87Å; F5-W251 HydrophobicContact CZ-CZ2 3.87Å; F9-W251 HydrophobicContact CE2-CH2 4.22Å; F9-W251 AromaticContact CE2-CZ3 3.86Å; F9-W251 HydrophobicContact CE2-CZ3 3.86Å; F9-W251 HydrophobicContact CZ-CE3 4.23Å; F9-W251 HydrophobicContact CZ-CH2 4.34Å; F9-W251 AromaticContact CZ-CZ3 3.54Å; F9-W251 HydrophobicContact CZ-CZ3 3.54Å; Q248-W251 PolarHBondContact O-N 3.3Å; Q248-W251 VanDerWaalsContact O-N 3.11Å; D249-W251 VanDerWaalsContact C-N 3.34Å; D249-W251 PolarHBondContact O-N 3.12Å; W251-S253 VanDerWaalsContact C-N 3.25Å; W251-S253 PolarHBondContact O-N 3.03Å; W251-V254 WeakPolarHBondContact O-CB 3.05Å; W251-V254 PolarHBondContact O-N 3.03Å; W251-F255 VanDerWaalsContact O-CD2 3.23Å; W251-F255 WeakPolarHBondContact O-CD2 3.41Å; W251-F255 PolarHBondContact O-N 3.16Å
252A59Low60.3Low21 Ų2147.5 Ų47.517%0.17425%0.245CC..Hα-helixtrans-58.7-39.4174.600000111.6M236 Q248 D249 F255 Y256M236-A252 HydrophobicContact CG-CB 4.45Å; M236-A252 HydrophobicContact SD-CB 4.21Å; Q248-A252 WeakPolarHBondContact O-CB 3.21Å; Q248-A252 PolarHBondContact O-N 2.87Å; D249-A252 PolarHBondContact O-N 2.87Å; A252-F255 WeakPolarHBondContact O-CB 3.43Å; A252-F255 PolarHBondContact O-N 3.04Å; A252-F255 VanDerWaalsContact O-N 3.1Å; A252-Y256 WeakPolarHBondContact O-CD1 3.45Å; A252-Y256 PolarHBondContact O-N 2.97Å
253S62.4Low61.6Low0 Ų044.8 Ų44.80%022%0.222CC..Hα-helixtrans-66.1-41.7179.3680000113.3H154 D249 K250 W251 F255 Y256 T257H154-S253 WeakPolarHBondContact CE1-CB 3.49Å; H154-S253 PolarHBondContact CE1-OG 3.39Å; H154-S253 WeakPolarHBondContact NE2-CB 3.5Å; H154-S253 PolarHBondContact NE2-OG 3.5Å; D249-S253 WeakPolarHBondContact O-CB 3.16Å; D249-S253 PolarHBondContact O-N 3.44Å; D249-S253 PolarHBondContact O-OG 3.1Å; K250-S253 PolarHBondContact O-OG 3.03Å; W251-S253 VanDerWaalsContact C-N 3.25Å; W251-S253 PolarHBondContact O-N 3.03Å; S253-F255 VanDerWaalsContact C-N 3.25Å; S253-F255 PolarHBondContact O-N 3.31Å; S253-Y256 VanDerWaalsContact CA-CD1 3.5Å; S253-Y256 WeakPolarHBondContact O-CD1 3.32Å; S253-Y256 PolarHBondContact O-N 3.26Å; S253-T257 VanDerWaalsContact O-CB 3.31Å; S253-T257 WeakPolarHBondContact O-CB 3.19Å; S253-T257 WeakPolarHBondContact O-CG2 3.38Å; S253-T257 PolarHBondContact O-N 2.77Å; S253-T257 PolarHBondContact O-OG1 2.92Å
254V63.7Low62.9Low1 Ų142.3 Ų42.31%0.00620%0.204CC..Hα-helixtrans-56.4-38.1169.9162.70000112.9F9 M59 F155 K250 W251 I258 I259F9-V254 HydrophobicContact CD1-CG1 4.08Å; F9-V254 HydrophobicContact CE1-CB 4.36Å; F9-V254 HydrophobicContact CE1-CG1 3.07Å; F9-V254 HydrophobicContact CE1-CG2 4.45Å; F9-V254 HydrophobicContact CZ-CB 4.45Å; F9-V254 HydrophobicContact CZ-CG1 3.45Å; F9-V254 VanDerWaalsContact CZ-CG1 3.45Å; F9-V254 HydrophobicContact CZ-CG2 4.28Å; M59-V254 HydrophobicContact SD-CG2 3.86Å; F155-V254 HydrophobicContact CD2-CG2 3.61Å; F155-V254 HydrophobicContact CE2-CG2 3.86Å; F155-V254 HydrophobicContact CG-CG2 4.37Å; K250-V254 WeakPolarHBondContact O-CG2 3.2Å; K250-V254 PolarHBondContact O-N 2.01Å; W251-V254 WeakPolarHBondContact O-CB 3.05Å; W251-V254 PolarHBondContact O-N 3.03Å; V254-I258 PolarHBondContact O-N 2.92Å; V254-I258 VanDerWaalsContact O-N 3.11Å; V254-I259 PolarHBondContact O-N 2.67Å
255F64.8Low63.8Low108 Ų10836 Ų3647%0.47418%0.18SC..Iπ-helixtrans-62.9-49179.3-90.1-85.4000111.5W251 A252 S253 I259 I260W251-F255 VanDerWaalsContact O-CD2 3.23Å; W251-F255 WeakPolarHBondContact O-CD2 3.41Å; W251-F255 PolarHBondContact O-N 3.16Å; A252-F255 WeakPolarHBondContact O-CB 3.43Å; A252-F255 PolarHBondContact O-N 3.04Å; A252-F255 VanDerWaalsContact O-N 3.1Å; S253-F255 VanDerWaalsContact C-N 3.25Å; S253-F255 PolarHBondContact O-N 3.31Å; F255-I259 HydrophobicContact CD1-CB 4.11Å; F255-I259 HydrophobicContact CD1-CD1 3.4Å; F255-I259 HydrophobicContact CD1-CG1 4.29Å; F255-I259 HydrophobicContact CD1-CG2 4.1Å; F255-I259 HydrophobicContact CD2-CD1 4.3Å; F255-I259 HydrophobicContact CE1-CD1 3.47Å; F255-I259 VanDerWaalsContact CE1-CD1 3.47Å; F255-I259 HydrophobicContact CE1-CG2 4.46Å; F255-I259 HydrophobicContact CE2-CD1 4.35Å; F255-I259 HydrophobicContact CG-CD1 3.83Å; F255-I259 HydrophobicContact CZ-CD1 3.96Å; F255-I259 WeakPolarHBondContact O-CA 3.16Å; F255-I259 VanDerWaalsContact O-CB 3.28Å; F255-I259 WeakPolarHBondContact O-CB 3.35Å; F255-I259 PolarHBondContact O-N 2.85Å; F255-I260 PolarHBondContact O-N 3.41Å
256Y65.8Low64.7Low13 Ų1337 Ų375%0.05118%0.182CC..Iπ-helixtrans-80.5-27-177.280.7-98.1000113.8F82 E158 M236 A252 S253F82-Y256 HydrophobicContact CE1-CE2 4.27Å; F82-Y256 HydrophobicContact CE2-CE2 4.1Å; F82-Y256 HydrophobicContact CZ-CD2 4.39Å; F82-Y256 AromaticContact CZ-CE2 3.36Å; F82-Y256 HydrophobicContact CZ-CE2 3.36Å; F82-Y256 AromaticContact CZ-CZ 3.76Å; F82-Y256 WeakPolarHBondContact CZ-OH 3.35Å; E158-Y256 PolarHBondContact OE1-OH 3.49Å; M236-Y256 HydrophobicContact CE-CE1 3.97Å; M236-Y256 HydrophobicContact SD-CD1 3.8Å; M236-Y256 HydrophobicContact SD-CE1 3.4Å; M236-Y256 WeakPolarHBondContact SD-CE1 3.36Å; A252-Y256 WeakPolarHBondContact O-CD1 3.45Å; A252-Y256 PolarHBondContact O-N 2.97Å; S253-Y256 VanDerWaalsContact CA-CD1 3.5Å; S253-Y256 WeakPolarHBondContact O-CD1 3.32Å; S253-Y256 PolarHBondContact O-N 3.26Å
257T65.7Low65.8Low0 Ų033.7 Ų33.70%016%0.164CC..Iπ-helixtrans-85-21-178.758.90000114.8Y51 S52 I55 F82 F156 S253Y51-T257 WeakPolarHBondContact CE2-O 3.4Å; S52-T257 PolarHBondContact OG-O 2.94Å; I55-T257 HydrophobicContact CD1-CG2 3.74Å; F82-T257 HydrophobicContact CD2-CG2 4.4Å; F82-T257 HydrophobicContact CE2-CG2 3.27Å; F82-T257 HydrophobicContact CZ-CG2 3.36Å; F156-T257 HydrophobicContact CE1-CG2 3.87Å; F156-T257 HydrophobicContact CZ-CG2 3.67Å; S253-T257 VanDerWaalsContact O-CB 3.31Å; S253-T257 WeakPolarHBondContact O-CB 3.19Å; S253-T257 WeakPolarHBondContact O-CG2 3.38Å; S253-T257 PolarHBondContact O-N 2.77Å; S253-T257 PolarHBondContact O-OG1 2.92Å
258I66.2Low66.8Low0 Ų029 Ų290%014%0.139CC..Iπ-helixtrans-132.9-41.6-174.1-51179.1000112V12 A56 M59 V254 M262V12-I258 HydrophobicContact CB-CG2 4.38Å; V12-I258 HydrophobicContact CG1-CG2 3.5Å; V12-I258 VanDerWaalsContact CG1-CG2 3.5Å; A56-I258 HydrophobicContact CB-CD1 4.08Å; M59-I258 HydrophobicContact CE-CD1 3.21Å; M59-I258 HydrophobicContact SD-CD1 3.79Å; V254-I258 PolarHBondContact O-N 2.92Å; V254-I258 VanDerWaalsContact O-N 3.11Å; I258-M262 WeakPolarHBondContact O-CB 3.18Å; I258-M262 PolarHBondContact O-N 3.33Å
259I68.8Low67.5Low34 Ų3425.8 Ų25.817%0.17413%0.126CC..Iπ-helixtrans-78.3-41.7-174.3-61.5176.1000111.1V12 V254 F255 M262 L263V12-I259 HydrophobicContact CG1-CG1 4.29Å; V254-I259 PolarHBondContact O-N 2.67Å; F255-I259 HydrophobicContact CD1-CB 4.11Å; F255-I259 HydrophobicContact CD1-CD1 3.4Å; F255-I259 HydrophobicContact CD1-CG1 4.29Å; F255-I259 HydrophobicContact CD1-CG2 4.1Å; F255-I259 HydrophobicContact CD2-CD1 4.3Å; F255-I259 HydrophobicContact CE1-CD1 3.47Å; F255-I259 VanDerWaalsContact CE1-CD1 3.47Å; F255-I259 HydrophobicContact CE1-CG2 4.46Å; F255-I259 HydrophobicContact CE2-CD1 4.35Å; F255-I259 HydrophobicContact CG-CD1 3.83Å; F255-I259 HydrophobicContact CZ-CD1 3.96Å; F255-I259 WeakPolarHBondContact O-CA 3.16Å; F255-I259 VanDerWaalsContact O-CB 3.28Å; F255-I259 WeakPolarHBondContact O-CB 3.35Å; F255-I259 PolarHBondContact O-N 2.85Å; I259-M262 HydrophobicContact CG2-CE 4.37Å; I259-M262 WeakPolarHBondContact O-CB 3.45Å; I259-M262 PolarHBondContact O-N 3.44Å; I259-L263 HydrophobicContact CG2-CD1 4.01Å; I259-L263 HydrophobicContact CG2-CG 4.4Å; I259-L263 VanDerWaalsContact O-CG 3.27Å; I259-L263 WeakPolarHBondContact O-CG 3.32Å; I259-L263 PolarHBondContact O-N 2.83Å
260I72Confident67.6Low7 Ų729.4 Ų29.44%0.03615%0.145CC..Hα-helixtrans-61.6-53177.1-63.3177.4000112.9L228 F229 T232 F255 M262 L263 N264L228-I260 WeakPolarHBondContact O-CD1 3.09Å; F229-I260 HydrophobicContact CB-CG2 4.34Å; F229-I260 HydrophobicContact CD2-CG2 4.18Å; T232-I260 HydrophobicContact CG2-CD1 4.04Å; T232-I260 WeakPolarHBondContact OG1-CD1 3.39Å; F255-I260 PolarHBondContact O-N 3.41Å; I260-M262 PolarHBondContact O-N 2.97Å; I260-L263 WeakPolarHBondContact O-CA 3.39Å; I260-L263 WeakPolarHBondContact O-CB 3.42Å; I260-L263 PolarHBondContact O-N 2.93Å; I260-N264 PolarHBondContact O-N 3.29Å
261P68.4Low67.8Low0 Ų034.9 Ų34.90%017%0.165CC..Hα-helixtrans-60.7-30.6176.218.5-30.9000113.1N16 N20 D48 Y51 S52 L263 N264 P265N16-P261 PolarHBondContact OD1-O 2.67Å; N20-P261 PolarHBondContact ND2-O 3Å; D48-P261 HydrophobicContact CB-CB 3.71Å; Y51-P261 HydrophobicContact CE2-CB 4.11Å; Y51-P261 HydrophobicContact CE2-CG 3.53Å; Y51-P261 VanDerWaalsContact OH-CB 3.31Å; Y51-P261 WeakPolarHBondContact OH-CB 3.2Å; Y51-P261 VanDerWaalsContact OH-CD 3.31Å; Y51-P261 WeakPolarHBondContact OH-CD 3.22Å; Y51-P261 WeakPolarHBondContact OH-CG 3.36Å; S52-P261 WeakPolarHBondContact OG-CG 3.34Å; P261-L263 VanDerWaalsContact C-N 3.33Å; P261-N264 PolarHBondContact O-N 3.4Å; P261-P265 WeakPolarHBondContact O-CD 3.29Å
262M74.1Confident68.3Low32 Ų3231.3 Ų31.316%0.15815%0.153CC..Hα-helixtrans-64-38.4171.2-174.8-161.565.400111.9V12 V15 N16 I258 I259 I260V12-M262 HydrophobicContact CB-SD 4.22Å; V12-M262 HydrophobicContact CG1-CB 4.41Å; V12-M262 HydrophobicContact CG1-CG 4.47Å; V12-M262 HydrophobicContact CG1-SD 3.64Å; V12-M262 HydrophobicContact CG2-SD 4.36Å; V15-M262 HydrophobicContact CB-CG 4.11Å; V15-M262 HydrophobicContact CB-SD 4.14Å; V15-M262 HydrophobicContact CG1-CG 3.66Å; V15-M262 HydrophobicContact CG1-SD 3.94Å; N16-M262 HydrophobicContact CB-CB 3.96Å; N16-M262 HydrophobicContact CB-CG 4.29Å; I258-M262 WeakPolarHBondContact O-CB 3.18Å; I258-M262 PolarHBondContact O-N 3.33Å; I259-M262 HydrophobicContact CG2-CE 4.37Å; I259-M262 WeakPolarHBondContact O-CB 3.45Å; I259-M262 PolarHBondContact O-N 3.44Å; I260-M262 PolarHBondContact O-N 2.97Å
263L71.6Confident69.2Low52 Ų5238.6 Ų38.627%0.27218%0.181SC..Hα-helixtrans-75.5-27.2-179.8-68.2171.7000112.4L228 I259 I260 P261 L266 I267L228-L263 HydrophobicContact CD1-CD1 4.45Å; I259-L263 HydrophobicContact CG2-CD1 4.01Å; I259-L263 HydrophobicContact CG2-CG 4.4Å; I259-L263 VanDerWaalsContact O-CG 3.27Å; I259-L263 WeakPolarHBondContact O-CG 3.32Å; I259-L263 PolarHBondContact O-N 2.83Å; I260-L263 WeakPolarHBondContact O-CA 3.39Å; I260-L263 WeakPolarHBondContact O-CB 3.42Å; I260-L263 PolarHBondContact O-N 2.93Å; P261-L263 VanDerWaalsContact C-N 3.33Å; L263-L266 HydrophobicContact CD2-CD1 4.4Å; L263-L266 WeakPolarHBondContact O-CB 3.19Å; L263-L266 PolarHBondContact O-N 2.91Å; L263-I267 HydrophobicContact CB-CD1 3.95Å; L263-I267 WeakPolarHBondContact O-CD1 3.46Å; L263-I267 WeakPolarHBondContact O-CG1 3.25Å; L263-I267 PolarHBondContact O-N 3.33Å
264N76.4Confident69.9Low3 Ų343 Ų432%0.01620%0.204CC..Hα-helixtrans-52.2-57.7-179.1-80.9-12000112.3D48 E89 I260 P261 L266 I267 Y268D48-N264 PolarHBondContact OD1-ND2 2.89Å; D48-N264 VanDerWaalsContact OD2-CB 3.28Å; D48-N264 WeakPolarHBondContact OD2-CB 3.36Å; D48-N264 PolarHBondContact OD2-ND2 2.88Å; E89-N264 PolarHBondContact OE1-ND2 2.68Å; I260-N264 PolarHBondContact O-N 3.29Å; P261-N264 PolarHBondContact O-N 3.4Å; N264-L266 VanDerWaalsContact C-N 3.27Å; N264-L266 PolarHBondContact O-N 3.1Å; N264-I267 PolarHBondContact O-N 3.32Å; N264-Y268 WeakPolarHBondContact O-CD2 3.08Å; N264-Y268 PolarHBondContact O-N 3.35Å
265P69.3Low70.4Confident4 Ų443 Ų433%0.02621%0.205CC..Hα-helixtrans-54.3-39.9174.3-29.736000113.7N20 M23 P261 S269N20-P265 HydrophobicContact CB-CG 4.34Å; N20-P265 VanDerWaalsContact CG-CG 3.44Å; N20-P265 WeakPolarHBondContact ND2-CG 3.4Å; N20-P265 WeakPolarHBondContact OD1-CG 3.38Å; M23-P265 HydrophobicContact CG-CB 3.9Å; M23-P265 HydrophobicContact CG-CG 4.47Å; P261-P265 WeakPolarHBondContact O-CD 3.29Å; P265-S269 WeakPolarHBondContact O-CA 3.25Å; P265-S269 WeakPolarHBondContact O-CB 3.49Å; P265-S269 PolarHBondContact O-N 3.5Å; P265-S269 PolarHBondContact O-OG 3.11Å
266L70.8Confident71.1Confident67 Ų6743.2 Ų43.235%0.35121%0.205SC..Hα-helixtrans-69.2-41.8-178.2-63.8175.1000111.4L263 N264 L270L263-L266 HydrophobicContact CD2-CD1 4.4Å; L263-L266 WeakPolarHBondContact O-CB 3.19Å; L263-L266 PolarHBondContact O-N 2.91Å; N264-L266 VanDerWaalsContact C-N 3.27Å; N264-L266 PolarHBondContact O-N 3.1Å; L266-L270 HydrophobicContact CB-CD1 4.06Å; L266-L270 HydrophobicContact CD2-CD1 3.99Å; L266-L270 HydrophobicContact CD2-CG 4.36Å; L266-L270 WeakPolarHBondContact O-CB 3.23Å; L266-L270 WeakPolarHBondContact O-CG 3.45Å; L266-L270 PolarHBondContact O-N 2.86Å
267I76.9Confident71.9Confident17 Ų1745.1 Ų45.19%0.08722%0.224CC..Hα-helixtrans-63.1-46.2177.5-67.3160.6000110.2S221 T224 L228 L263 N264S221-I267 WeakPolarHBondContact O-CG2 3.36Å; T224-I267 HydrophobicContact CG2-CD1 4.39Å; T224-I267 HydrophobicContact CG2-CG1 4.4Å; T224-I267 HydrophobicContact CG2-CG2 4.29Å; L228-I267 HydrophobicContact CD1-CD1 3.47Å; L228-I267 VanDerWaalsContact CD1-CD1 3.47Å; L263-I267 HydrophobicContact CB-CD1 3.95Å; L263-I267 WeakPolarHBondContact O-CD1 3.46Å; L263-I267 WeakPolarHBondContact O-CG1 3.25Å; L263-I267 PolarHBondContact O-N 3.33Å; N264-I267 PolarHBondContact O-N 3.32Å
268Y71.9Confident72.5Confident4 Ų445.2 Ų45.22%0.01623%0.225CC..Hα-helixtrans-79.8-25-177.6-68.4-68.3000113.9M37 L41 L44 M96 H222 N264 N272M37-Y268 HydrophobicContact CE-CE1 4.08Å; L41-Y268 HydrophobicContact CD1-CD1 4.07Å; L41-Y268 HydrophobicContact CD1-CD2 3.34Å; L41-Y268 HydrophobicContact CD1-CE1 4.48Å; L41-Y268 HydrophobicContact CD1-CE2 3.85Å; L41-Y268 HydrophobicContact CD1-CG 3.49Å; L41-Y268 VanDerWaalsContact CD1-CG 3.49Å; L41-Y268 HydrophobicContact CD2-CG 4.19Å; L44-Y268 HydrophobicContact CD2-CE2 3.79Å; M96-Y268 HydrophobicContact CE-CE1 3.9Å; H222-Y268 HydrophobicContact CB-CE1 4.33Å; H222-Y268 PolarHBondContact CD2-OH 3.47Å; N264-Y268 WeakPolarHBondContact O-CD2 3.08Å; N264-Y268 PolarHBondContact O-N 3.35Å; Y268-N272 WeakPolarHBondContact O-CB 3.14Å
269S67.8Low73.3Confident23 Ų2350.5 Ų50.516%0.16125%0.248CC..Hα-helixtrans-93.8-47.6179.267.10000113.8P265 R271 N272P265-S269 WeakPolarHBondContact O-CA 3.25Å; P265-S269 WeakPolarHBondContact O-CB 3.49Å; P265-S269 PolarHBondContact O-N 3.5Å; P265-S269 PolarHBondContact O-OG 3.11Å; S269-R271 VanDerWaalsContact C-N 3.28Å; S269-R271 PolarHBondContact O-N 2.99Å; S269-N272 PolarHBondContact O-N 3.48Å
270L61.1Low74Confident104 Ų10456.7 Ų56.755%0.54527%0.273SS..Hα-helixtrans-72.6-21.2-173-64.7176.4000112.8L266 K276L266-L270 HydrophobicContact CB-CD1 4.06Å; L266-L270 HydrophobicContact CD2-CD1 3.99Å; L266-L270 HydrophobicContact CD2-CG 4.36Å; L266-L270 WeakPolarHBondContact O-CB 3.23Å; L266-L270 WeakPolarHBondContact O-CG 3.45Å; L266-L270 PolarHBondContact O-N 2.86Å; L270-K276 VanDerWaalsContact C-CE 3.48Å; L270-K276 WeakPolarHBondContact O-CE 3.37Å; L270-K276 PolarHBondContact O-NZ 3.47Å
271R66Low74.5Confident143 Ų14361.2 Ų61.254%0.5429%0.293SS..SBendtrans-97.4-13.6175.3-69.5-174.6169.8-172.2-1.3113.3T224 S269T224-R271 PolarHBondContact OG1-NH1 3.31Å; T224-R271 VanDerWaalsContact OG1-NH1 3.16Å; S269-R271 VanDerWaalsContact C-N 3.28Å; S269-R271 PolarHBondContact O-N 2.99Å
272N72.4Confident75.2Confident24 Ų2463.4 Ų63.413%0.12830%0.304CS..  trans-101119.7-174.7-164.9-37.5000112.2Y38 Y268 S269 D274 V275 K276Y38-N272 PolarHBondContact OH-ND2 2.96Å; Y38-N272 PolarHBondContact OH-OD1 3.42Å; Y268-N272 WeakPolarHBondContact O-CB 3.14Å; S269-N272 PolarHBondContact O-N 3.48Å; N272-D274 VanDerWaalsContact C-N 3.3Å; N272-D274 PolarHBondContact O-N 3.19Å; N272-D274 WeakPolarHBondContact OD1-CB 3.38Å; N272-D274 PolarHBondContact OD1-N 3.13Å; N272-V275 HydrophobicContact CB-CB 4.27Å; N272-V275 HydrophobicContact CB-CG2 3.94Å; N272-K276 WeakPolarHBondContact O-CG 3.29Å; N272-K276 PolarHBondContact O-N 2.74Å
273K76.5Confident75.7Confident175 Ų17565.4 Ų65.476%0.76132%0.315SS*.Hα-helixtrans-64.9-34.3-179.4-67.8-175.8179.9179.70112.2K276 A277K273-K276 PolarHBondContact O-N 2.87Å; K273-A277 WeakPolarHBondContact O-CB 3.09Å; K273-A277 PolarHBondContact O-N 3.3Å
274D76.9Confident76.2Confident92 Ų9271.4 Ų71.449%0.49233%0.334SS..Hα-helixtrans-68.9-44.2-177.5-51.2-23.9000110.2L33 Y38 N272 K276 A277 A278L33-D274 HydrophobicContact CD2-CB 4.03Å; Y38-D274 WeakPolarHBondContact OH-CB 3.23Å; Y38-D274 PolarHBondContact OH-OD2 2.56Å; N272-D274 VanDerWaalsContact C-N 3.3Å; N272-D274 PolarHBondContact O-N 3.19Å; N272-D274 WeakPolarHBondContact OD1-CB 3.38Å; N272-D274 PolarHBondContact OD1-N 3.13Å; D274-K276 PolarHBondContact O-N 3.36Å; D274-A277 PolarHBondContact O-N 2.85Å; D274-A278 WeakPolarHBondContact O-CB 3.15Å; D274-A278 PolarHBondContact O-N 2.85Å
275V75.1Confident76.4Confident2 Ų277.9 Ų77.91%0.01236%0.362CS..Hα-helixtrans-63.4-42.8177.4-178.40000110.8M23 L26 Y38 N272 A277 A278 F279M23-V275 HydrophobicContact CE-CG1 4.05Å; M23-V275 HydrophobicContact CE-CG2 4.32Å; M23-V275 HydrophobicContact SD-CG1 3.82Å; L26-V275 HydrophobicContact CD1-CG1 4.4Å; Y38-V275 HydrophobicContact CE1-CG2 3.74Å; N272-V275 HydrophobicContact CB-CB 4.27Å; N272-V275 HydrophobicContact CB-CG2 3.94Å; V275-A277 VanDerWaalsContact C-N 3.34Å; V275-A277 PolarHBondContact O-N 2.91Å; V275-A278 PolarHBondContact O-N 2.93Å; V275-F279 WeakPolarHBondContact O-CB 3.47Å; V275-F279 PolarHBondContact O-N 2.88Å
276K80.2Confident76.8Confident112 Ų11281.8 Ų81.849%0.48738%0.382SS..Hα-helixtrans-61-41.8174.5-71.9-179.3-177.5179.50112.6L270 N272 K273 D274 F279 K280L270-K276 VanDerWaalsContact C-CE 3.48Å; L270-K276 WeakPolarHBondContact O-CE 3.37Å; L270-K276 PolarHBondContact O-NZ 3.47Å; N272-K276 WeakPolarHBondContact O-CG 3.29Å; N272-K276 PolarHBondContact O-N 2.74Å; K273-K276 PolarHBondContact O-N 2.87Å; D274-K276 PolarHBondContact O-N 3.36Å; K276-F279 PolarHBondContact O-N 3.43Å; K276-K280 WeakPolarHBondContact O-CB 3.42Å; K276-K280 PolarHBondContact O-N 3.04Å
277A81.5Confident77Confident53 Ų5383.7 Ų83.744%0.43839%0.392SS..Hα-helixtrans-65.4-46.2178.800000111.3K273 D274 V275 F279 K280 K281K273-A277 WeakPolarHBondContact O-CB 3.09Å; K273-A277 PolarHBondContact O-N 3.3Å; D274-A277 PolarHBondContact O-N 2.85Å; V275-A277 VanDerWaalsContact C-N 3.34Å; V275-A277 PolarHBondContact O-N 2.91Å; A277-F279 VanDerWaalsContact C-N 3.35Å; A277-F279 PolarHBondContact O-N 3.37Å; A277-K280 PolarHBondContact O-N 3.35Å; A277-K281 WeakPolarHBondContact O-CB 3.29Å; A277-K281 PolarHBondContact O-N 2.63Å
278A79.6Confident76.9Confident2 Ų287.3 Ų87.32%0.01741%0.412CS..Hα-helixtrans-59.3-44.6175.300000111.6L26 D30 L33 D274 V275 K280 K281 L282L26-A278 HydrophobicContact CD2-CB 4.5Å; D30-A278 HydrophobicContact CB-CB 4.03Å; L33-A278 HydrophobicContact CD1-CB 3.66Å; L33-A278 HydrophobicContact CG-CB 4.14Å; D274-A278 WeakPolarHBondContact O-CB 3.15Å; D274-A278 PolarHBondContact O-N 2.85Å; V275-A278 PolarHBondContact O-N 2.93Å; A278-K280 PolarHBondContact O-N 3.42Å; A278-K281 WeakPolarHBondContact O-CB 3.38Å; A278-K281 PolarHBondContact O-N 3.32Å; A278-L282 PolarHBondContact O-N 3.44Å
279F82.4Confident76.7Confident111 Ų11191.6 Ų91.649%0.48744%0.435SS..Hα-helixtrans-61.2-46.9177-175.3-109.5000112.7L26 V275 K276 A277 K281 L282 I283L26-F279 HydrophobicContact CD1-CB 4.27Å; L26-F279 HydrophobicContact CD1-CD2 4.01Å; L26-F279 HydrophobicContact CD2-CB 4.2Å; L26-F279 HydrophobicContact CD2-CD2 4.2Å; V275-F279 WeakPolarHBondContact O-CB 3.47Å; V275-F279 PolarHBondContact O-N 2.88Å; K276-F279 PolarHBondContact O-N 3.43Å; A277-F279 VanDerWaalsContact C-N 3.35Å; A277-F279 PolarHBondContact O-N 3.37Å; F279-K281 VanDerWaalsContact C-N 3.28Å; F279-K281 PolarHBondContact O-N 3.35Å; F279-L282 PolarHBondContact O-N 3.26Å; F279-I283 HydrophobicContact CD1-CD1 3.79Å; F279-I283 HydrophobicContact CE1-CD1 3.31Å; F279-I283 HydrophobicContact CE1-CG1 4.37Å; F279-I283 HydrophobicContact CE2-CD1 4.25Å; F279-I283 HydrophobicContact CG-CD1 4.46Å; F279-I283 HydrophobicContact CZ-CD1 3.58Å; F279-I283 HydrophobicContact CZ-CG1 4.35Å; F279-I283 WeakPolarHBondContact O-CG1 3.39Å; F279-I283 PolarHBondContact O-N 3.06Å
280K83.7Confident76.3Confident164 Ų16497.1 Ų97.171%0.71346%0.463SS*.Hα-helixtrans-60.8-38.9176.7-171.5176.8-177.2177.60111.9K276 A277 A278 R284K276-K280 WeakPolarHBondContact O-CB 3.42Å; K276-K280 PolarHBondContact O-N 3.04Å; A277-K280 PolarHBondContact O-N 3.35Å; A278-K280 PolarHBondContact O-N 3.42Å; K280-R284 WeakPolarHBondContact O-CB 2.98Å; K280-R284 PolarHBondContact O-N 2.71Å
281K82.9Confident76.1Confident102 Ų10297.7 Ų97.744%0.44347%0.471SS..Hα-helixtrans-66.3-42.6177178.4178.1158.3-153.20111.7D30 A277 A278 F279 R284 K285D30-K281 VanDerWaalsContact CG-NZ 3.34Å; D30-K281 IonicContact OD1-NZ 3.16Å; D30-K281 PolarHBondContact OD1-NZ 2.89Å; D30-K281 VanDerWaalsContact OD1-NZ 3.16Å; D30-K281 WeakPolarHBondContact OD2-CD 3.1Å; D30-K281 IonicContact OD2-NZ 2.83Å; D30-K281 PolarHBondContact OD2-NZ 2.99Å; A277-K281 WeakPolarHBondContact O-CB 3.29Å; A277-K281 PolarHBondContact O-N 2.63Å; A278-K281 WeakPolarHBondContact O-CB 3.38Å; A278-K281 PolarHBondContact O-N 3.32Å; F279-K281 VanDerWaalsContact C-N 3.28Å; F279-K281 PolarHBondContact O-N 3.35Å; K281-R284 PolarHBondContact O-N 3.3Å; K281-K285 PolarHBondContact O-N 2.9Å
282L82.5Confident75.1Confident45 Ų45102.5 Ų102.524%0.23650%0.496CS..Hα-helixtrans-61.6-47.1176.4-172.570.6000111.5L26 A278 F279 R284 K285 N286L26-L282 HydrophobicContact CD2-CB 4.17Å; L26-L282 HydrophobicContact CD2-CD2 3.74Å; A278-L282 PolarHBondContact O-N 3.44Å; F279-L282 PolarHBondContact O-N 3.26Å; L282-R284 VanDerWaalsContact C-N 3.35Å; L282-R284 PolarHBondContact O-N 3.21Å; L282-K285 PolarHBondContact O-N 2.86Å; L282-N286 PolarHBondContact O-N 2.81Å
283I83.9Confident75.3Confident75 Ų75106.5 Ų106.539%0.38551%0.514SS..Hα-helixtrans-58.2-47.3176.2-70174.1000110.8F279 K285 N286 L287F279-I283 HydrophobicContact CD1-CD1 3.79Å; F279-I283 HydrophobicContact CE1-CD1 3.31Å; F279-I283 HydrophobicContact CE1-CG1 4.37Å; F279-I283 HydrophobicContact CE2-CD1 4.25Å; F279-I283 HydrophobicContact CG-CD1 4.46Å; F279-I283 HydrophobicContact CZ-CD1 3.58Å; F279-I283 HydrophobicContact CZ-CG1 4.35Å; F279-I283 WeakPolarHBondContact O-CG1 3.39Å; F279-I283 PolarHBondContact O-N 3.06Å; I283-K285 VanDerWaalsContact C-N 3.3Å; I283-K285 PolarHBondContact O-N 3.48Å; I283-N286 PolarHBondContact O-N 3.12Å; I283-L287 HydrophobicContact CG2-CD1 3.73Å; I283-L287 HydrophobicContact CG2-CG 4.28Å; I283-L287 WeakPolarHBondContact O-CG 2.87Å; I283-L287 PolarHBondContact O-N 3.07Å
284R83.1Confident75.2Confident178 Ų178102.8 Ų102.867%0.67250%0.501SS*.Hα-helixtrans-60.7-39.6179.2-172.3177-178.9174.90.5112.2K280 K281 L282 N288K280-R284 WeakPolarHBondContact O-CB 2.98Å; K280-R284 PolarHBondContact O-N 2.71Å; K281-R284 PolarHBondContact O-N 3.3Å; L282-R284 VanDerWaalsContact C-N 3.35Å; L282-R284 PolarHBondContact O-N 3.21Å; R284-N288 WeakPolarHBondContact O-CB 3.25Å; R284-N288 VanDerWaalsContact O-CG 3.3Å; R284-N288 PolarHBondContact O-N 2.64Å; R284-N288 VanDerWaalsContact O-N 3.12Å; R284-N288 PolarHBondContact O-OD1 3.01Å
285K79.9Confident75.1Confident139 Ų139103.4 Ų103.460%0.60450%0.502SS*.Hα-helixtrans-65.3-43.1177.2-170-179.8177.6-174.90111.7K281 L282 I283 N288 N289K281-K285 PolarHBondContact O-N 2.9Å; L282-K285 PolarHBondContact O-N 2.86Å; I283-K285 VanDerWaalsContact C-N 3.3Å; I283-K285 PolarHBondContact O-N 3.48Å; K285-N288 PolarHBondContact O-N 3.45Å; K285-N289 PolarHBondContact O-N 2.97Å; K285-N289 VanDerWaalsContact O-N 3.08Å
286N77.4Confident75.1Confident85 Ų85109.4 Ų109.446%0.45553%0.53SS..Hα-helixtrans-67.8-41177.8-77-20.7000112.7L282 I283 N288 N289 N290L282-N286 PolarHBondContact O-N 2.81Å; I283-N286 PolarHBondContact O-N 3.12Å; N286-N288 VanDerWaalsContact C-N 3.33Å; N286-N288 PolarHBondContact O-N 2.77Å; N286-N289 PolarHBondContact O-N 3.35Å; N286-N290 PolarHBondContact O-N 3.23Å
287L76.1Confident74.8Confident107 Ų107109.3 Ų109.356%0.5653%0.533SS*.Hα-helixtrans-61.1-41.4175.2-73.5169.3000112.1I283 N289 N290 T291I283-L287 HydrophobicContact CG2-CD1 3.73Å; I283-L287 HydrophobicContact CG2-CG 4.28Å; I283-L287 WeakPolarHBondContact O-CG 2.87Å; I283-L287 PolarHBondContact O-N 3.07Å; L287-N289 VanDerWaalsContact C-N 3.33Å; L287-N289 PolarHBondContact O-N 3.28Å; L287-N290 PolarHBondContact O-N 2.99Å; L287-T291 PolarHBondContact O-N 1.99Å; L287-T291 PolarHBondContact O-OG1 3.13Å
288N73.4Confident74.3Confident93 Ų93113 Ų11350%0.49754%0.539SS..Hα-helixtrans-69.3-28.6177-75.25.1000113.4R284 K285 N286 T291R284-N288 WeakPolarHBondContact O-CB 3.25Å; R284-N288 VanDerWaalsContact O-CG 3.3Å; R284-N288 PolarHBondContact O-N 2.64Å; R284-N288 VanDerWaalsContact O-N 3.12Å; R284-N288 PolarHBondContact O-OD1 3.01Å; K285-N288 PolarHBondContact O-N 3.45Å; N286-N288 VanDerWaalsContact C-N 3.33Å; N286-N288 PolarHBondContact O-N 2.77Å; N288-T291 WeakPolarHBondContact CA-OG1 3.35Å; N288-T291 PolarHBondContact O-OG1 3.02Å
289N68.9Low73.9Confident94 Ų94120.9 Ų120.950%0.50358%0.577SS.*Hα-helixtrans-77.7-28.1175.3-76.9-5.6000112.3K285 N286 L287 T291K285-N289 PolarHBondContact O-N 2.97Å; K285-N289 VanDerWaalsContact O-N 3.08Å; N286-N289 PolarHBondContact O-N 3.35Å; L287-N289 VanDerWaalsContact C-N 3.33Å; L287-N289 PolarHBondContact O-N 3.28Å; N289-T291 VanDerWaalsContact C-N 3.28Å
290N59.4Low73.3Confident139 Ų139121.7 Ų121.774%0.74358%0.584SS**THydrogen-bonded Turntrans-81.3-4.7175.7-72.1-11.9000113.8N286 L287N286-N290 PolarHBondContact O-N 3.23Å; L287-N290 PolarHBondContact O-N 2.99Å
291T56.4Low72.4Confident116 Ų116118.2 Ų118.271%0.71257%0.573SS**THydrogen-bonded Turntrans-105.33.4176.823.40000113.4L287 N288 N289L287-T291 PolarHBondContact O-N 1.99Å; L287-T291 PolarHBondContact O-OG1 3.13Å; N288-T291 WeakPolarHBondContact CA-OG1 3.35Å; N288-T291 PolarHBondContact O-OG1 3.02Å; N289-T291 VanDerWaalsContact C-N 3.28Å
292K45.2Very low71.5Confident245 Ų245119.6 Ų119.6100%1.06559%0.585SS**  trans-107.20168.1-86.1-172.7173.3-174.50109.8

Retrieved 292 of 292 residues in 2390.6 ms (Link to these results)

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