A0A077ZET5_TRITR Loading...

Mga domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZET5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 502 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
1M72.7Confident90.1Very high77 Ų7750.1 Ų50.138%0.37926%0.257SS..  0117.90-169.6-174.5-60.800107.1F136 E139 A140 F163 Q170M1-F136 HydrophobicContact CG-CD2 4.29Å; M1-F136 HydrophobicContact CG-CE1 4.34Å; M1-F136 HydrophobicContact CG-CE2 3.47Å; M1-F136 VanDerWaalsContact CG-CE2 3.47Å; M1-F136 HydrophobicContact CG-CZ 3.51Å; M1-F136 HydrophobicContact SD-CD1 4.08Å; M1-F136 HydrophobicContact SD-CD2 4.17Å; M1-F136 HydrophobicContact SD-CE1 3.58Å; M1-F136 VanDerWaalsContact SD-CE1 3.58Å; M1-F136 HydrophobicContact SD-CE2 3.68Å; M1-F136 HydrophobicContact SD-CG 4.37Å; M1-F136 HydrophobicContact SD-CZ 3.37Å; M1-F136 WeakPolarHBondContact SD-CZ 3.42Å; M1-E139 HydrophobicContact CE-CB 3.3Å; M1-E139 HydrophobicContact SD-CB 4.46Å; M1-A140 HydrophobicContact CE-CB 3.68Å; M1-F163 HydrophobicContact SD-CE2 4.13Å; M1-Q170 PolarHBondContact O-NE2 3.27Å; M1-Q170 PolarHBondContact O-OE1 3.03Å
2S85.2Confident90.5Very high45 Ų4553.7 Ų53.732%0.31527%0.272SS..  trans-90.2131.4-180173.60000110D4 L5 F136S2-D4 PolarHBondContact O-N 3.3Å; S2-D4 WeakPolarHBondContact OG-CB 3.26Å; S2-D4 PolarHBondContact OG-N 3.25Å; S2-D4 VanDerWaalsContact OG-N 3.1Å; S2-D4 PolarHBondContact OG-OD2 3.15Å; S2-D4 VanDerWaalsContact OG-OD2 3.13Å; S2-L5 PolarHBondContact O-N 2.79Å; S2-F136 WeakPolarHBondContact O-CE2 3.3Å
3I89.7Confident90.9Very high3 Ų349.5 Ų49.52%0.01525%0.251CS..G310 helixtrans-64.7-18173.260.9170000112.8L5 L6 Y92 I98 F167 Q170 L171I3-L5 PolarHBondContact O-N 3.32Å; I3-L5 VanDerWaalsContact O-N 3.12Å; I3-L6 WeakPolarHBondContact O-CB 3.45Å; I3-L6 PolarHBondContact O-N 3.12Å; I3-Y92 HydrophobicContact CD1-CD1 4.25Å; I3-Y92 HydrophobicContact CD1-CE1 3.67Å; I3-Y92 HydrophobicContact CD1-CE2 4.39Å; I3-Y92 HydrophobicContact CG1-CE1 4.13Å; I3-I98 HydrophobicContact CB-CD1 4.15Å; I3-F167 HydrophobicContact CG2-CD2 3.63Å; I3-F167 HydrophobicContact CG2-CE2 4.12Å; I3-Q170 HydrophobicContact CD1-CB 3.79Å; I3-Q170 HydrophobicContact CG1-CB 4.12Å; I3-Q170 HydrophobicContact CG2-CB 4.25Å; I3-L171 HydrophobicContact CD1-CD2 3.52Å; I3-L171 HydrophobicContact CD1-CG 3.83Å
4D89.1Confident91.4Very high73 Ų7346 Ų4639%0.3923%0.233SC..G310 helixtrans-64.3-20-179.4-56.1-32.9000112.3S2 L6 L7 Y92S2-D4 PolarHBondContact O-N 3.3Å; S2-D4 WeakPolarHBondContact OG-CB 3.26Å; S2-D4 PolarHBondContact OG-N 3.25Å; S2-D4 VanDerWaalsContact OG-N 3.1Å; S2-D4 PolarHBondContact OG-OD2 3.15Å; S2-D4 VanDerWaalsContact OG-OD2 3.13Å; D4-L6 PolarHBondContact O-N 2.78Å; D4-L7 HydrophobicContact CB-CD1 4.08Å; D4-L7 WeakPolarHBondContact O-CB 3.38Å; D4-L7 PolarHBondContact O-N 3.42Å; D4-Y92 PolarHBondContact OD1-OH 3.04Å
5L91Very high91.8Very high116 Ų11644.5 Ų44.561%0.60722%0.224SC*.G310 helixtrans-65.3-19.5173.3-65.2175.1000113.2S2 I3 F136S2-L5 PolarHBondContact O-N 2.79Å; I3-L5 PolarHBondContact O-N 3.32Å; I3-L5 VanDerWaalsContact O-N 3.12Å; L5-F136 HydrophobicContact CB-CD2 4.37Å; L5-F136 HydrophobicContact CB-CE2 4.24Å; L5-F136 HydrophobicContact CD1-CE2 4.44Å
6L93.8Very high92Very high4 Ų443.9 Ų43.92%0.02123%0.228CC..G310 helixtrans-91.9-4.5177.3-66.7175.2000113.1I3 D4 S95 K97 I98 L101 V133 F136I3-L6 WeakPolarHBondContact O-CB 3.45Å; I3-L6 PolarHBondContact O-N 3.12Å; D4-L6 PolarHBondContact O-N 2.78Å; L6-S95 PolarHBondContact O-OG 2.79Å; L6-S95 VanDerWaalsContact O-OG 3.13Å; L6-K97 HydrophobicContact CB-CB 4.22Å; L6-K97 HydrophobicContact CD2-CB 4.46Å; L6-K97 HydrophobicContact CD2-CD 4.25Å; L6-K97 WeakPolarHBondContact O-CE 3.3Å; L6-I98 HydrophobicContact CB-CD1 3.87Å; L6-I98 HydrophobicContact CB-CG1 4.42Å; L6-I98 HydrophobicContact CD1-CD1 4.07Å; L6-L101 HydrophobicContact CD1-CD2 3.7Å; L6-V133 HydrophobicContact CD2-CG2 4.33Å; L6-F136 HydrophobicContact CD1-CD1 3.75Å; L6-F136 HydrophobicContact CD1-CD2 4.5Å; L6-F136 HydrophobicContact CD1-CE1 3.7Å; L6-F136 HydrophobicContact CD1-CE2 4.45Å; L6-F136 HydrophobicContact CD1-CG 4.15Å; L6-F136 HydrophobicContact CD1-CZ 4.06Å; L6-F136 HydrophobicContact CD2-CB 3.72Å; L6-F136 HydrophobicContact CD2-CD1 4.11Å; L6-F136 HydrophobicContact CD2-CD2 4.09Å; L6-F136 HydrophobicContact CD2-CG 3.73Å; L6-F136 HydrophobicContact CG-CD1 4.11Å; L6-F136 HydrophobicContact CG-CD2 4.04Å; L6-F136 HydrophobicContact CG-CE1 4.26Å; L6-F136 HydrophobicContact CG-CE2 4.19Å; L6-F136 HydrophobicContact CG-CG 3.98Å; L6-F136 HydrophobicContact CG-CZ 4.29Å
7L94.2Very high92.4Very high12 Ų1241.3 Ų41.36%0.06322%0.215CC..  trans-73.1135-178.9-63.1179.3000110.8D4 Q12 F15 Y92 I98D4-L7 HydrophobicContact CB-CD1 4.08Å; D4-L7 WeakPolarHBondContact O-CB 3.38Å; D4-L7 PolarHBondContact O-N 3.42Å; L7-Q12 HydrophobicContact CB-CG 3.66Å; L7-Q12 HydrophobicContact CD1-CG 4.48Å; L7-Q12 PolarHBondContact O-NE2 3.12Å; L7-Q12 VanDerWaalsContact O-NE2 3.08Å; L7-F15 HydrophobicContact CD1-CD2 3.64Å; L7-F15 HydrophobicContact CD1-CE2 4Å; L7-F15 HydrophobicContact CD2-CE2 4.41Å; L7-Y92 HydrophobicContact CD1-CE1 4.23Å; L7-Y92 HydrophobicContact CD2-CD1 3.78Å; L7-Y92 HydrophobicContact CD2-CE1 4Å; L7-I98 HydrophobicContact CD2-CG1 4.07Å
8D91.6Very high92.7Very high54 Ų5439.3 Ų39.329%0.28920%0.204SC..  trans-72.4170.3166.363.917.4000111.1E10 S11 Q12D8-E10 PolarHBondContact O-N 3.49Å; D8-E10 PolarHBondContact OD1-N 2.68Å; D8-S11 PolarHBondContact O-N 2.85Å; D8-S11 VanDerWaalsContact OD1-CB 3.25Å; D8-S11 WeakPolarHBondContact OD1-CB 3.41Å; D8-S11 PolarHBondContact OD1-N 3.35Å; D8-S11 PolarHBondContact OD1-OG 2.63Å; D8-Q12 VanDerWaalsContact O-CG 3.31Å; D8-Q12 WeakPolarHBondContact O-CG 3.48Å; D8-Q12 PolarHBondContact O-N 3.46Å
9F92.8Very high92.8Very high113 Ų11339.6 Ų39.650%0.49621%0.208SC..Hα-helixtrans-60.2-33.6-177.6179.8-99.6000112.8A13 F39 Y47F9-A13 VanDerWaalsContact O-CB 3.3Å; F9-A13 WeakPolarHBondContact O-CB 3.31Å; F9-A13 PolarHBondContact O-N 3.3Å; F9-F39 HydrophobicContact CE2-CE1 4.34Å; F9-F39 HydrophobicContact CZ-CE1 4.39Å; F9-Y47 HydrophobicContact CD1-CE2 4.44Å; F9-Y47 WeakPolarHBondContact CD1-OH 3.47Å; F9-Y47 AromaticContact CE1-CE2 3.84Å; F9-Y47 HydrophobicContact CE1-CE2 3.84Å; F9-Y47 WeakPolarHBondContact CE1-OH 3.46Å
10E95.1Very high93Very high54 Ų5439 Ų3925%0.25220%0.203SC..Hα-helixtrans-64.5-50.6176.7168.7160.6178.700111.2D8 Q12 A13 L14 Y47 R50 I94D8-E10 PolarHBondContact O-N 3.49Å; D8-E10 PolarHBondContact OD1-N 2.68Å; E10-Q12 VanDerWaalsContact C-N 3.35Å; E10-Q12 PolarHBondContact O-N 3.5Å; E10-A13 PolarHBondContact O-N 3.04Å; E10-L14 HydrophobicContact CG-CD1 3.9Å; E10-L14 VanDerWaalsContact O-CG 3.32Å; E10-L14 WeakPolarHBondContact O-CG 3.49Å; E10-L14 PolarHBondContact O-N 3.05Å; E10-Y47 HydrophobicContact CB-CE1 3.87Å; E10-Y47 HydrophobicContact CG-CD1 4.29Å; E10-Y47 HydrophobicContact CG-CE1 3.74Å; E10-R50 IonicContact OE1-NE 3.2Å; E10-R50 PolarHBondContact OE1-NE 3.48Å; E10-I94 HydrophobicContact CG-CG2 4.32Å
11S95.5Very high93.2Very high0 Ų037.1 Ų37.10%019%0.193CC..Hα-helixtrans-63.7-41.2179.7-50.80000111.3D8 A13 L14 F15D8-S11 PolarHBondContact O-N 2.85Å; D8-S11 VanDerWaalsContact OD1-CB 3.25Å; D8-S11 WeakPolarHBondContact OD1-CB 3.41Å; D8-S11 PolarHBondContact OD1-N 3.35Å; D8-S11 PolarHBondContact OD1-OG 2.63Å; S11-A13 PolarHBondContact O-N 2.63Å; S11-L14 PolarHBondContact O-N 2.96Å; S11-F15 WeakPolarHBondContact O-CB 3.28Å; S11-F15 WeakPolarHBondContact O-CD2 3.5Å; S11-F15 PolarHBondContact O-N 3.32Å
12Q95.4Very high94.3Very high93 Ų9336.2 Ų36.244%0.43519%0.187SC..Hα-helixtrans-59.7-44.5174.1-71.4176.2100111.9L7 D8 E10 F15 A16L7-Q12 HydrophobicContact CB-CG 3.66Å; L7-Q12 HydrophobicContact CD1-CG 4.48Å; L7-Q12 PolarHBondContact O-NE2 3.12Å; L7-Q12 VanDerWaalsContact O-NE2 3.08Å; D8-Q12 VanDerWaalsContact O-CG 3.31Å; D8-Q12 WeakPolarHBondContact O-CG 3.48Å; D8-Q12 PolarHBondContact O-N 3.46Å; E10-Q12 VanDerWaalsContact C-N 3.35Å; E10-Q12 PolarHBondContact O-N 3.5Å; Q12-F15 PolarHBondContact O-N 2.85Å; Q12-A16 WeakPolarHBondContact O-CB 3.25Å; Q12-A16 PolarHBondContact O-N 3.04Å
13A96.1Very high94.7Very high0 Ų039.6 Ų39.60%020%0.198CC..Hα-helixtrans-67.6-39.4179.900000112.4F9 E10 S11 A16 I17 F39 Y47F9-A13 VanDerWaalsContact O-CB 3.3Å; F9-A13 WeakPolarHBondContact O-CB 3.31Å; F9-A13 PolarHBondContact O-N 3.3Å; E10-A13 PolarHBondContact O-N 3.04Å; S11-A13 PolarHBondContact O-N 2.63Å; A13-A16 PolarHBondContact O-N 2.88Å; A13-I17 WeakPolarHBondContact O-CG1 3.36Å; A13-I17 PolarHBondContact O-N 3.21Å; A13-F39 HydrophobicContact CB-CD2 4.39Å; A13-F39 HydrophobicContact CB-CE2 3.59Å; A13-F39 HydrophobicContact CB-CZ 4Å; A13-Y47 HydrophobicContact CB-CD1 4.28Å; A13-Y47 HydrophobicContact CB-CD2 3.46Å; A13-Y47 VanDerWaalsContact CB-CD2 3.46Å; A13-Y47 HydrophobicContact CB-CE1 4.39Å; A13-Y47 HydrophobicContact CB-CE2 3.57Å; A13-Y47 HydrophobicContact CB-CG 3.85Å
14L97.8Very high94.9Very high0 Ų042.4 Ų42.40%021%0.213CC..Hα-helixtrans-62.7-45.3173.8-72.4168.6000111.6E10 S11 A16 I17 F18 Y47 R50 L51 L54 I91 I94E10-L14 HydrophobicContact CG-CD1 3.9Å; E10-L14 VanDerWaalsContact O-CG 3.32Å; E10-L14 WeakPolarHBondContact O-CG 3.49Å; E10-L14 PolarHBondContact O-N 3.05Å; S11-L14 PolarHBondContact O-N 2.96Å; L14-A16 PolarHBondContact O-N 3.03Å; L14-I17 PolarHBondContact O-N 3.46Å; L14-F18 VanDerWaalsContact O-CB 3.25Å; L14-F18 WeakPolarHBondContact O-CB 3.48Å; L14-F18 PolarHBondContact O-N 3.45Å; L14-Y47 HydrophobicContact CD2-CD1 4.41Å; L14-Y47 VanDerWaalsContact CD2-O 3.27Å; L14-Y47 WeakPolarHBondContact CD2-O 3.38Å; L14-Y47 HydrophobicContact CG-CD1 4.29Å; L14-R50 HydrophobicContact CD1-CG 4.2Å; L14-R50 HydrophobicContact CD2-CB 4.13Å; L14-R50 HydrophobicContact CD2-CG 4.13Å; L14-L51 HydrophobicContact CD2-CB 3.86Å; L14-L51 HydrophobicContact CD2-CD1 4.33Å; L14-L54 HydrophobicContact CD1-CD1 3.92Å; L14-L54 HydrophobicContact CD2-CD1 4.43Å; L14-I91 HydrophobicContact CB-CD1 4.35Å; L14-I91 HydrophobicContact CB-CG1 4.28Å; L14-I91 HydrophobicContact CB-CG2 3.66Å; L14-I91 HydrophobicContact CD1-CG2 4.2Å; L14-I94 HydrophobicContact CD1-CD1 3.5Å; L14-I94 VanDerWaalsContact CD1-CD1 3.5Å
15F96.6Very high95Very high24 Ų2444.3 Ų44.311%0.10523%0.229CC..Hα-helixtrans-63.9-37.7176.4-90.9-63.1000113.1L7 S11 Q12 F18 T19 S88 I91 Y92L7-F15 HydrophobicContact CD1-CD2 3.64Å; L7-F15 HydrophobicContact CD1-CE2 4Å; L7-F15 HydrophobicContact CD2-CE2 4.41Å; S11-F15 WeakPolarHBondContact O-CB 3.28Å; S11-F15 WeakPolarHBondContact O-CD2 3.5Å; S11-F15 PolarHBondContact O-N 3.32Å; Q12-F15 PolarHBondContact O-N 2.85Å; F15-F18 HydrophobicContact CD1-CD1 4.06Å; F15-F18 HydrophobicContact CE1-CD1 4.35Å; F15-F18 PolarHBondContact O-N 3.41Å; F15-T19 WeakPolarHBondContact O-CB 3.47Å; F15-T19 PolarHBondContact O-N 3.33Å; F15-T19 PolarHBondContact O-OG1 2.82Å; F15-S88 WeakPolarHBondContact CZ-O 3.39Å; F15-I91 HydrophobicContact CD2-CB 4.46Å; F15-I91 HydrophobicContact CD2-CG2 3.51Å; F15-I91 HydrophobicContact CE1-CB 4.48Å; F15-I91 HydrophobicContact CE1-CG2 4.46Å; F15-I91 HydrophobicContact CE2-CB 3.96Å; F15-I91 HydrophobicContact CE2-CG2 3.4Å; F15-I91 VanDerWaalsContact CE2-CG2 3.4Å; F15-I91 HydrophobicContact CG-CG2 4.11Å; F15-I91 HydrophobicContact CZ-CB 3.95Å; F15-I91 HydrophobicContact CZ-CG2 3.89Å; F15-Y92 HydrophobicContact CE1-CD2 4.45Å; F15-Y92 HydrophobicContact CE1-CE2 4.02Å; F15-Y92 AromaticContact CE2-CD1 3.65Å; F15-Y92 HydrophobicContact CE2-CD1 3.65Å; F15-Y92 HydrophobicContact CE2-CD2 4.14Å; F15-Y92 AromaticContact CE2-CE1 3.58Å; F15-Y92 HydrophobicContact CE2-CE1 3.58Å; F15-Y92 HydrophobicContact CE2-CE2 4.1Å; F15-Y92 AromaticContact CE2-CG 3.89Å; F15-Y92 HydrophobicContact CE2-CG 3.89Å; F15-Y92 AromaticContact CE2-CZ 3.79Å; F15-Y92 AromaticContact CZ-CD1 3.86Å; F15-Y92 HydrophobicContact CZ-CD1 3.86Å; F15-Y92 AromaticContact CZ-CD2 3.48Å; F15-Y92 HydrophobicContact CZ-CD2 3.48Å; F15-Y92 VanDerWaalsContact CZ-CD2 3.48Å; F15-Y92 AromaticContact CZ-CE1 3.73Å; F15-Y92 HydrophobicContact CZ-CE1 3.73Å; F15-Y92 AromaticContact CZ-CE2 3.34Å; F15-Y92 HydrophobicContact CZ-CE2 3.34Å; F15-Y92 AromaticContact CZ-CG 3.7Å; F15-Y92 HydrophobicContact CZ-CG 3.7Å; F15-Y92 AromaticContact CZ-CZ 3.45Å; F15-Y92 VanDerWaalsContact CZ-CZ 3.45Å
16A96.2Very high95.1Very high34 Ų3439.8 Ų39.828%0.28121%0.211SC..Hα-helixtrans-60.8-46.6175.700000111.4Q12 A13 L14 Y20 F39Q12-A16 WeakPolarHBondContact O-CB 3.25Å; Q12-A16 PolarHBondContact O-N 3.04Å; A13-A16 PolarHBondContact O-N 2.88Å; L14-A16 PolarHBondContact O-N 3.03Å; A16-Y20 WeakPolarHBondContact O-CB 3.39Å; A16-Y20 PolarHBondContact O-N 3.23Å; A16-F39 HydrophobicContact CB-CE2 4.19Å
17I97.9Very high95.2Very high0 Ų044 Ų440%023%0.229CC..Hα-helixtrans-66-49.3176.9-65.5166.7000111A13 L14 T19 Y20 L21 I33 I37 T44 L48 L51A13-I17 WeakPolarHBondContact O-CG1 3.36Å; A13-I17 PolarHBondContact O-N 3.21Å; L14-I17 PolarHBondContact O-N 3.46Å; I17-T19 VanDerWaalsContact C-N 3.34Å; I17-T19 PolarHBondContact O-N 3.05Å; I17-Y20 PolarHBondContact O-N 3.46Å; I17-L21 HydrophobicContact CG2-CD1 3.9Å; I17-L21 HydrophobicContact CG2-CG 4.37Å; I17-L21 WeakPolarHBondContact O-CG 3.3Å; I17-L21 PolarHBondContact O-N 3.13Å; I17-I33 HydrophobicContact CG1-CG2 4.24Å; I17-I33 HydrophobicContact CG2-CG2 4.34Å; I17-I37 HydrophobicContact CD1-CD1 4.27Å; I17-I37 HydrophobicContact CG1-CD1 3.53Å; I17-T44 HydrophobicContact CD1-CG2 4.46Å; I17-L48 HydrophobicContact CD1-CG 4.34Å; I17-L48 HydrophobicContact CG2-CD2 3.54Å; I17-L48 HydrophobicContact CG2-CG 4.23Å; I17-L51 HydrophobicContact CG2-CD2 3.8Å
18F97.6Very high95.4Very high5 Ų544.5 Ų44.52%0.02223%0.231CC..Hα-helixtrans-56.4-47.2179.1166.7-102.3000111.7L14 F15 L21 K22 I76 N84 L87 I91L14-F18 VanDerWaalsContact O-CB 3.25Å; L14-F18 WeakPolarHBondContact O-CB 3.48Å; L14-F18 PolarHBondContact O-N 3.45Å; F15-F18 HydrophobicContact CD1-CD1 4.06Å; F15-F18 HydrophobicContact CE1-CD1 4.35Å; F15-F18 PolarHBondContact O-N 3.41Å; F18-L21 PolarHBondContact O-N 3.26Å; F18-K22 HydrophobicContact CE1-CD 4.19Å; F18-K22 HydrophobicContact CZ-CD 3.96Å; F18-K22 WeakPolarHBondContact O-CB 3.47Å; F18-K22 PolarHBondContact O-N 3.4Å; F18-I76 HydrophobicContact CD2-CD1 3.48Å; F18-I76 VanDerWaalsContact CD2-CD1 3.48Å; F18-I76 HydrophobicContact CE2-CD1 4.03Å; F18-I76 HydrophobicContact CG-CD1 4.42Å; F18-N84 HydrophobicContact CE2-CB 4.41Å; F18-N84 HydrophobicContact CZ-CB 4.18Å; F18-N84 WeakPolarHBondContact CZ-O 3.38Å; F18-L87 HydrophobicContact CD2-CD2 3.96Å; F18-L87 HydrophobicContact CD2-CG 4.32Å; F18-L87 HydrophobicContact CE2-CB 4.44Å; F18-L87 HydrophobicContact CE2-CD2 4.15Å; F18-L87 HydrophobicContact CE2-CG 4.39Å; F18-I91 HydrophobicContact CB-CD1 3.97Å; F18-I91 HydrophobicContact CD2-CD1 4.44Å; F18-I91 HydrophobicContact CG-CD1 4.11Å
19T95.4Very high95.6Very high45 Ų4544.1 Ų44.128%0.27623%0.229SC..Hα-helixtrans-65.7-45.5-179.5-56.50000110.7F15 I17 L21 K22 E23F15-T19 WeakPolarHBondContact O-CB 3.47Å; F15-T19 PolarHBondContact O-N 3.33Å; F15-T19 PolarHBondContact O-OG1 2.82Å; I17-T19 VanDerWaalsContact C-N 3.34Å; I17-T19 PolarHBondContact O-N 3.05Å; T19-L21 PolarHBondContact O-N 3.27Å; T19-K22 PolarHBondContact O-N 3.09Å; T19-E23 HydrophobicContact CG2-CG 4.24Å; T19-E23 WeakPolarHBondContact CG2-OE1 3.31Å; T19-E23 WeakPolarHBondContact O-CB 3.25Å; T19-E23 WeakPolarHBondContact O-CG 3.47Å; T19-E23 PolarHBondContact O-N 3.21Å
20Y97Very high95.8Very high28 Ų2840.5 Ų40.511%0.1122%0.215CC..Hα-helixtrans-56.1-52.1175.6173.7-98.5000111.9A16 I17 K22 E23 N24 H28 I33 Q36 I37A16-Y20 WeakPolarHBondContact O-CB 3.39Å; A16-Y20 PolarHBondContact O-N 3.23Å; I17-Y20 PolarHBondContact O-N 3.46Å; Y20-K22 VanDerWaalsContact C-N 3.3Å; Y20-K22 PolarHBondContact O-N 3.17Å; Y20-E23 PolarHBondContact O-N 2.92Å; Y20-N24 VanDerWaalsContact CD2-ND2 3.26Å; Y20-N24 WeakPolarHBondContact CD2-ND2 3.33Å; Y20-N24 HydrophobicContact CE2-CB 4.35Å; Y20-N24 WeakPolarHBondContact CE2-ND2 3.34Å; Y20-N24 WeakPolarHBondContact O-CB 3.19Å; Y20-N24 PolarHBondContact O-N 3.37Å; Y20-N24 PolarHBondContact O-ND2 3.25Å; Y20-H28 HydrophobicContact CE1-CB 4.14Å; Y20-H28 AromaticContact CE1-CG 3.88Å; Y20-H28 PolarHBondContact OH-ND1 2.94Å; Y20-I33 HydrophobicContact CD1-CB 4.39Å; Y20-I33 HydrophobicContact CD1-CG1 3.94Å; Y20-I33 HydrophobicContact CD1-CG2 4.26Å; Y20-I33 HydrophobicContact CE1-CB 4.27Å; Y20-I33 HydrophobicContact CE1-CG1 3.66Å; Y20-Q36 HydrophobicContact CD2-CB 3.79Å; Y20-Q36 HydrophobicContact CD2-CG 4.42Å; Y20-Q36 HydrophobicContact CE2-CB 3.38Å; Y20-Q36 HydrophobicContact CE2-CG 3.52Å; Y20-I37 HydrophobicContact CG-CG2 4.23Å
21L97.5Very high95.8Very high0 Ų041 Ų410%022%0.219CC..Hα-helixtrans-64.8-33.6-178.8-69.7176.8000112.8I17 F18 T19 H28 I33 L48 L51 L67 I76I17-L21 HydrophobicContact CG2-CD1 3.9Å; I17-L21 HydrophobicContact CG2-CG 4.37Å; I17-L21 WeakPolarHBondContact O-CG 3.3Å; I17-L21 PolarHBondContact O-N 3.13Å; F18-L21 PolarHBondContact O-N 3.26Å; T19-L21 PolarHBondContact O-N 3.27Å; L21-H28 HydrophobicContact CD2-CB 3.95Å; L21-I33 HydrophobicContact CD2-CD1 3.88Å; L21-I33 HydrophobicContact CD2-CG1 4.14Å; L21-L48 HydrophobicContact CD1-CD2 4.34Å; L21-L51 HydrophobicContact CD1-CD2 4.39Å; L21-L67 HydrophobicContact CD1-CD1 3.92Å; L21-I76 HydrophobicContact CB-CB 4.05Å; L21-I76 HydrophobicContact CB-CD1 4.05Å; L21-I76 HydrophobicContact CB-CG1 3.93Å; L21-I76 HydrophobicContact CD1-CD1 4.33Å; L21-I76 HydrophobicContact CD1-CG1 4.32Å
22K94.9Very high95.8Very high57 Ų5745 Ų4525%0.24824%0.238CC..Hα-helixtrans-73.7-36.1178.6-175.8-172.968.1-179.50112.1F18 T19 Y20 I76 Q78F18-K22 HydrophobicContact CE1-CD 4.19Å; F18-K22 HydrophobicContact CZ-CD 3.96Å; F18-K22 WeakPolarHBondContact O-CB 3.47Å; F18-K22 PolarHBondContact O-N 3.4Å; T19-K22 PolarHBondContact O-N 3.09Å; Y20-K22 VanDerWaalsContact C-N 3.3Å; Y20-K22 PolarHBondContact O-N 3.17Å; K22-I76 HydrophobicContact CB-CG2 4.05Å; K22-I76 HydrophobicContact CG-CG2 4.34Å; K22-Q78 HydrophobicContact CG-CB 4.44Å; K22-Q78 HydrophobicContact CG-CG 4.18Å; K22-Q78 WeakPolarHBondContact O-CB 3.29Å
23E93.1Very high95.8Very high117 Ų11740.6 Ų40.655%0.54722%0.217SC..Hα-helixtrans-88.5-17.4-176.1-68.9-178.6175.300113.6T19 Y20 P25T19-E23 HydrophobicContact CG2-CG 4.24Å; T19-E23 WeakPolarHBondContact CG2-OE1 3.31Å; T19-E23 WeakPolarHBondContact O-CB 3.25Å; T19-E23 WeakPolarHBondContact O-CG 3.47Å; T19-E23 PolarHBondContact O-N 3.21Å; Y20-E23 PolarHBondContact O-N 2.92Å; E23-P25 WeakPolarHBondContact O-CD 3.46Å
24N94.6Very high95.9Very high62 Ų6241.1 Ų41.133%0.33222%0.221SC..SBendtrans-111.4102.3178-64-84.8000109.6Y20 G26 H28Y20-N24 VanDerWaalsContact CD2-ND2 3.26Å; Y20-N24 WeakPolarHBondContact CD2-ND2 3.33Å; Y20-N24 HydrophobicContact CE2-CB 4.35Å; Y20-N24 WeakPolarHBondContact CE2-ND2 3.34Å; Y20-N24 WeakPolarHBondContact O-CB 3.19Å; Y20-N24 PolarHBondContact O-N 3.37Å; Y20-N24 PolarHBondContact O-ND2 3.25Å; N24-G26 PolarHBondContact O-N 3.01Å; N24-H28 PolarHBondContact O-NE2 2.81Å; N24-H28 VanDerWaalsContact O-NE2 3.08Å
25P90.9Very high95.8Very high112 Ų11248.4 Ų48.473%0.72726%0.255SS*.  trans-68.1124.3-177-20.732.8000112E23E23-P25 WeakPolarHBondContact O-CD 3.46Å
26G93.5Very high95.7Very high22 Ų2253.2 Ų53.223%0.22728%0.278CS..SBendtrans138.7-177.2172.100000112.4N24 H28 Q75N24-G26 PolarHBondContact O-N 3.01Å; G26-H28 PolarHBondContact O-CD2 3.31Å; G26-Q75 WeakPolarHBondContact O-CB 3.38Å; G26-Q75 VanDerWaalsContact O-CG 3.27Å; G26-Q75 WeakPolarHBondContact O-CG 3.39Å
27F96.5Very high95.6Very high92 Ų9253.3 Ų53.340%0.40427%0.273SS..  trans-85.3127.3169.5-83.1-73.2000109.1T68 N73 Q75F27-T68 HydrophobicContact CE1-CG2 3.97Å; F27-T68 HydrophobicContact CZ-CG2 3.78Å; F27-N73 HydrophobicContact CB-CB 3.79Å; F27-N73 HydrophobicContact CD1-CB 3.81Å; F27-N73 HydrophobicContact CG-CB 4.17Å; F27-Q75 HydrophobicContact CD1-CB 3.78Å; F27-Q75 HydrophobicContact CE1-CB 3.82Å; F27-Q75 HydrophobicContact CG-CB 4.26Å; F27-Q75 HydrophobicContact CZ-CB 4.33Å
28H97.2Very high95.4Very high22 Ų2256.3 Ų56.310%0.10230%0.304CS..BIsolated β-bridgetrans-117.8137.3178.7-67.4-72.5000111.1Y20 L21 N24 G26 E32 I33 N73 Y74Y20-H28 HydrophobicContact CE1-CB 4.14Å; Y20-H28 AromaticContact CE1-CG 3.88Å; Y20-H28 PolarHBondContact OH-ND1 2.94Å; L21-H28 HydrophobicContact CD2-CB 3.95Å; N24-H28 PolarHBondContact O-NE2 2.81Å; N24-H28 VanDerWaalsContact O-NE2 3.08Å; G26-H28 PolarHBondContact O-CD2 3.31Å; H28-E32 IonicContact CE1-OE2 3.86Å; H28-E32 IonicContact CG-OE2 2.91Å; H28-E32 IonicContact ND1-OE2 3.36Å; H28-E32 PolarHBondContact ND1-OE2 3.27Å; H28-I33 HydrophobicContact CB-CD1 4.1Å; H28-I33 HydrophobicContact CB-CG1 3.86Å; H28-N73 CarbonylContact O-C 3.2Å; H28-N73 VanDerWaalsContact O-CA 3.31Å; H28-N73 WeakPolarHBondContact O-CA 3.37Å; H28-Y74 PolarHBondContact N-O 2.82Å; H28-Y74 PolarHBondContact O-N 3.18Å
29D96.1Very high95.3Very high46 Ų4658.6 Ų58.625%0.24631%0.314CS..  trans-84.7167174.8920.2000111.4N31 E32 I33 N73D29-N31 PolarHBondContact O-N 3.15Å; D29-N31 WeakPolarHBondContact OD1-CA 3.49Å; D29-N31 VanDerWaalsContact OD1-CB 3.27Å; D29-N31 WeakPolarHBondContact OD1-CB 3.14Å; D29-N31 PolarHBondContact OD1-N 3.19Å; D29-N31 PolarHBondContact OD2-ND2 3.37Å; D29-E32 PolarHBondContact O-N 3.45Å; D29-E32 PolarHBondContact OD1-N 3.29Å; D29-I33 WeakPolarHBondContact O-CD1 3.27Å; D29-I33 VanDerWaalsContact O-CG1 3.22Å; D29-I33 WeakPolarHBondContact O-CG1 3.02Å; D29-I33 PolarHBondContact O-N 2.89Å; D29-I33 VanDerWaalsContact O-N 3.09Å; D29-N73 WeakPolarHBondContact CB-OD1 3.23Å
30I96Very high95.3Very high38 Ų3863.6 Ų63.620%0.19533%0.334CS..Hα-helixtrans-62.7-28.6-179.8-171.2164.3000114S34 K41 T44 L45 L48I30-S34 WeakPolarHBondContact O-CB 3.26Å; I30-S34 PolarHBondContact O-N 3.45Å; I30-K41 WeakPolarHBondContact CD1-O 3.34Å; I30-T44 HydrophobicContact CG1-CG2 4.03Å; I30-L45 HydrophobicContact CD1-CB 3.41Å; I30-L45 VanDerWaalsContact CD1-CB 3.41Å; I30-L45 HydrophobicContact CD1-CD1 3.79Å; I30-L45 HydrophobicContact CD1-CG 4.11Å; I30-L48 HydrophobicContact CB-CD1 4.43Å; I30-L48 HydrophobicContact CD1-CD1 4.32Å; I30-L48 HydrophobicContact CG1-CD1 4.11Å
31N95.2Very high95.1Very high63 Ų6367.8 Ų67.834%0.33735%0.353SS..Hα-helixtrans-71.8-46.3-178.5-53.3-62.6000109.9D29 S34 E35 K41D29-N31 PolarHBondContact O-N 3.15Å; D29-N31 WeakPolarHBondContact OD1-CA 3.49Å; D29-N31 VanDerWaalsContact OD1-CB 3.27Å; D29-N31 WeakPolarHBondContact OD1-CB 3.14Å; D29-N31 PolarHBondContact OD1-N 3.19Å; D29-N31 PolarHBondContact OD2-ND2 3.37Å; N31-S34 PolarHBondContact O-N 3.46Å; N31-E35 WeakPolarHBondContact O-CB 3.25Å; N31-E35 PolarHBondContact O-N 2.93Å; N31-K41 WeakPolarHBondContact OD1-CD 3.31Å; N31-K41 WeakPolarHBondContact OD1-CE 3.4Å; N31-K41 PolarHBondContact OD1-NZ 3.4Å
32E95.5Very high95Very high86 Ų8678 Ų7840%0.40239%0.392SS..Hα-helixtrans-58.4-51.8175-68.6177.4-178.100110.5H28 D29 S34 E35 Q36H28-E32 IonicContact CE1-OE2 3.86Å; H28-E32 IonicContact CG-OE2 2.91Å; H28-E32 IonicContact ND1-OE2 3.36Å; H28-E32 PolarHBondContact ND1-OE2 3.27Å; D29-E32 PolarHBondContact O-N 3.45Å; D29-E32 PolarHBondContact OD1-N 3.29Å; E32-S34 PolarHBondContact O-N 2.95Å; E32-E35 PolarHBondContact O-N 2.7Å; E32-Q36 WeakPolarHBondContact O-CB 3.32Å; E32-Q36 VanDerWaalsContact O-CG 3.26Å; E32-Q36 WeakPolarHBondContact O-CG 3.5Å; E32-Q36 PolarHBondContact O-N 3.44Å
33I97.2Very high95.1Very high0 Ų077.2 Ų77.20%039%0.392CS..Hα-helixtrans-59-49.2-179.4-62.2161.6000110.2I17 Y20 L21 H28 D29 E35 Q36 I37 T44 L48 Y74I17-I33 HydrophobicContact CG1-CG2 4.24Å; I17-I33 HydrophobicContact CG2-CG2 4.34Å; Y20-I33 HydrophobicContact CD1-CB 4.39Å; Y20-I33 HydrophobicContact CD1-CG1 3.94Å; Y20-I33 HydrophobicContact CD1-CG2 4.26Å; Y20-I33 HydrophobicContact CE1-CB 4.27Å; Y20-I33 HydrophobicContact CE1-CG1 3.66Å; L21-I33 HydrophobicContact CD2-CD1 3.88Å; L21-I33 HydrophobicContact CD2-CG1 4.14Å; H28-I33 HydrophobicContact CB-CD1 4.1Å; H28-I33 HydrophobicContact CB-CG1 3.86Å; D29-I33 WeakPolarHBondContact O-CD1 3.27Å; D29-I33 VanDerWaalsContact O-CG1 3.22Å; D29-I33 WeakPolarHBondContact O-CG1 3.02Å; D29-I33 PolarHBondContact O-N 2.89Å; D29-I33 VanDerWaalsContact O-N 3.09Å; I33-E35 PolarHBondContact O-N 3.17Å; I33-Q36 PolarHBondContact O-N 3.46Å; I33-I37 HydrophobicContact CG2-CD1 3.92Å; I33-I37 HydrophobicContact CG2-CG2 4.42Å; I33-I37 VanDerWaalsContact O-CG1 3.23Å; I33-I37 WeakPolarHBondContact O-CG1 3.46Å; I33-I37 WeakPolarHBondContact O-CG2 3.3Å; I33-I37 PolarHBondContact O-N 3.03Å; I33-T44 HydrophobicContact CB-CG2 4.16Å; I33-T44 HydrophobicContact CG2-CG2 3.67Å; I33-L48 HydrophobicContact CD1-CD1 4Å; I33-L48 HydrophobicContact CD1-CD2 4.08Å; I33-Y74 HydrophobicContact CD1-CD2 4.07Å
34S97Very high95.2Very high11 Ų1171.7 Ų71.78%0.07737%0.366CS..Hα-helixtrans-59.1-43.1-179.8171.90000112.5I30 N31 E32 G38 F39 K41 T44I30-S34 WeakPolarHBondContact O-CB 3.26Å; I30-S34 PolarHBondContact O-N 3.45Å; N31-S34 PolarHBondContact O-N 3.46Å; E32-S34 PolarHBondContact O-N 2.95Å; S34-G38 PolarHBondContact O-N 3.35Å; S34-G38 VanDerWaalsContact O-N 3.1Å; S34-F39 PolarHBondContact O-N 3.41Å; S34-F39 VanDerWaalsContact O-O 3.11Å; S34-F39 PolarHBondContact OG-O 2.94Å; S34-K41 WeakPolarHBondContact OG-CG 3.3Å; S34-K41 PolarHBondContact OG-N 2.87Å; S34-T44 WeakPolarHBondContact CB-OG1 3.45Å
35E95.6Very high95.3Very high153 Ų15372 Ų7272%0.71537%0.367SS*.Hα-helixtrans-66.4-44.3178.5-176.4172.9-170.500111.7N31 E32 I33N31-E35 WeakPolarHBondContact O-CB 3.25Å; N31-E35 PolarHBondContact O-N 2.93Å; E32-E35 PolarHBondContact O-N 2.7Å; I33-E35 PolarHBondContact O-N 3.17Å
36Q95.5Very high95.6Very high125 Ų12572 Ų7258%0.58436%0.356SS*.Hα-helixtrans-72.8-39.8-175.9-65.5-59.8-40.300113.1Y20 E32 I33Y20-Q36 HydrophobicContact CD2-CB 3.79Å; Y20-Q36 HydrophobicContact CD2-CG 4.42Å; Y20-Q36 HydrophobicContact CE2-CB 3.38Å; Y20-Q36 HydrophobicContact CE2-CG 3.52Å; E32-Q36 WeakPolarHBondContact O-CB 3.32Å; E32-Q36 VanDerWaalsContact O-CG 3.26Å; E32-Q36 WeakPolarHBondContact O-CG 3.5Å; E32-Q36 PolarHBondContact O-N 3.44Å; I33-Q36 PolarHBondContact O-N 3.46Å
37I94.1Very high95.8Very high35 Ų3571.6 Ų71.618%0.17935%0.347CS..Hα-helixtrans-84.3-13.4179.275.6-170.9000113.1I17 Y20 I33 F39 T44I17-I37 HydrophobicContact CD1-CD1 4.27Å; I17-I37 HydrophobicContact CG1-CD1 3.53Å; Y20-I37 HydrophobicContact CG-CG2 4.23Å; I33-I37 HydrophobicContact CG2-CD1 3.92Å; I33-I37 HydrophobicContact CG2-CG2 4.42Å; I33-I37 VanDerWaalsContact O-CG1 3.23Å; I33-I37 WeakPolarHBondContact O-CG1 3.46Å; I33-I37 WeakPolarHBondContact O-CG2 3.3Å; I33-I37 PolarHBondContact O-N 3.03Å; I37-F39 HydrophobicContact CD1-CB 4.19Å; I37-F39 HydrophobicContact CD1-CD2 3.44Å; I37-F39 VanDerWaalsContact CD1-CD2 3.44Å; I37-F39 HydrophobicContact CD1-CE2 4.14Å; I37-F39 HydrophobicContact CD1-CG 4.18Å; I37-F39 HydrophobicContact CG1-CB 4.05Å; I37-F39 HydrophobicContact CG1-CD2 3.73Å; I37-F39 HydrophobicContact CG1-CE2 4.41Å; I37-F39 HydrophobicContact CG1-CG 4.07Å; I37-T44 HydrophobicContact CD1-CG2 4.08Å
38G93.8Very high95.8Very high64 Ų6467.2 Ų67.266%0.6633%0.328SS*.THydrogen-bonded Turntrans78.615178.200000115.5S34S34-G38 PolarHBondContact O-N 3.35Å; S34-G38 VanDerWaalsContact O-N 3.1Å
39F93.9Very high95.7Very high53 Ų5371.7 Ų71.723%0.23235%0.349CS..  trans-94.1152.6172.1-65.1-34.3000111.8F9 A13 A16 S34 I37 T43F9-F39 HydrophobicContact CE2-CE1 4.34Å; F9-F39 HydrophobicContact CZ-CE1 4.39Å; A13-F39 HydrophobicContact CB-CD2 4.39Å; A13-F39 HydrophobicContact CB-CE2 3.59Å; A13-F39 HydrophobicContact CB-CZ 4Å; A16-F39 HydrophobicContact CB-CE2 4.19Å; S34-F39 PolarHBondContact O-N 3.41Å; S34-F39 VanDerWaalsContact O-O 3.11Å; S34-F39 PolarHBondContact OG-O 2.94Å; I37-F39 HydrophobicContact CD1-CB 4.19Å; I37-F39 HydrophobicContact CD1-CD2 3.44Å; I37-F39 VanDerWaalsContact CD1-CD2 3.44Å; I37-F39 HydrophobicContact CD1-CE2 4.14Å; I37-F39 HydrophobicContact CD1-CG 4.18Å; I37-F39 HydrophobicContact CG1-CB 4.05Å; I37-F39 HydrophobicContact CG1-CD2 3.73Å; I37-F39 HydrophobicContact CG1-CE2 4.41Å; I37-F39 HydrophobicContact CG1-CG 4.07Å; F39-T43 HydrophobicContact CB-CG2 4.47Å
40E95.3Very high95.8Very high149 Ų14973 Ų7370%0.69635%0.351SS*.  trans-60.9148.6170.1-65.3-171.9171.500111.6R42 T43 T44E40-R42 PolarHBondContact O-N 3.29Å; E40-R42 VanDerWaalsContact O-N 3.16Å; E40-T43 WeakPolarHBondContact O-CB 3.46Å; E40-T43 PolarHBondContact O-N 2.93Å; E40-T44 PolarHBondContact O-N 3.14Å; E40-T44 PolarHBondContact O-OG1 3.43Å
41K94.7Very high95.9Very high116 Ų11671.2 Ų71.250%0.50434%0.342SS..Hα-helixtrans-53.9-39.7-178.9-65.4-176.4-176.3-173.70113.1I30 N31 S34 T44 L45I30-K41 WeakPolarHBondContact CD1-O 3.34Å; N31-K41 WeakPolarHBondContact OD1-CD 3.31Å; N31-K41 WeakPolarHBondContact OD1-CE 3.4Å; N31-K41 PolarHBondContact OD1-NZ 3.4Å; S34-K41 WeakPolarHBondContact OG-CG 3.3Å; S34-K41 PolarHBondContact OG-N 2.87Å; K41-T44 PolarHBondContact O-N 2.63Å; K41-L45 PolarHBondContact O-N 2.92Å
42R95.4Very high95.9Very high215 Ų21569 Ų6981%0.81133%0.331SS*.Hα-helixtrans-65.2-42.2179.4-174.3-179.8179.5-176-0.3112E40 L45 K46E40-R42 PolarHBondContact O-N 3.29Å; E40-R42 VanDerWaalsContact O-N 3.16Å; R42-L45 PolarHBondContact O-N 3.42Å; R42-K46 PolarHBondContact O-N 3.43Å; R42-K46 VanDerWaalsContact O-N 3.16Å
43T95.4Very high95.9Very high41 Ų4169.5 Ų69.525%0.25234%0.335SS..Hα-helixtrans-66.9-43.4176.9-56.20000110.4F39 E40 L45 K46 Y47F39-T43 HydrophobicContact CB-CG2 4.47Å; E40-T43 WeakPolarHBondContact O-CB 3.46Å; E40-T43 PolarHBondContact O-N 2.93Å; T43-L45 VanDerWaalsContact C-N 3.34Å; T43-L45 PolarHBondContact O-N 3.02Å; T43-K46 PolarHBondContact O-N 3.47Å; T43-Y47 HydrophobicContact CG2-CD2 3.77Å; T43-Y47 HydrophobicContact CG2-CE2 3.53Å; T43-Y47 WeakPolarHBondContact O-CD2 3.17Å; T43-Y47 PolarHBondContact O-N 3.18Å; T43-Y47 VanDerWaalsContact O-N 3.14Å
44T96.6Very high95.9Very high0 Ų069.7 Ų69.70%034%0.336CS..Hα-helixtrans-58.3-44.9174.9-51.40000111.2I17 I30 I33 S34 I37 E40 K41 K46 Y47 L48I17-T44 HydrophobicContact CD1-CG2 4.46Å; I30-T44 HydrophobicContact CG1-CG2 4.03Å; I33-T44 HydrophobicContact CB-CG2 4.16Å; I33-T44 HydrophobicContact CG2-CG2 3.67Å; S34-T44 WeakPolarHBondContact CB-OG1 3.45Å; I37-T44 HydrophobicContact CD1-CG2 4.08Å; E40-T44 PolarHBondContact O-N 3.14Å; E40-T44 PolarHBondContact O-OG1 3.43Å; K41-T44 PolarHBondContact O-N 2.63Å; T44-K46 PolarHBondContact O-N 2.86Å; T44-Y47 PolarHBondContact O-N 3.22Å; T44-L48 HydrophobicContact CG2-CD1 3.88Å; T44-L48 HydrophobicContact CG2-CG 4.42Å; T44-L48 WeakPolarHBondContact O-CB 3.1Å; T44-L48 WeakPolarHBondContact O-CG 3.19Å; T44-L48 PolarHBondContact O-N 2.84Å
45L95.7Very high96Very high68 Ų6869.3 Ų69.336%0.35633%0.333SS..Hα-helixtrans-59.6-49.1177.8-174.958000111.5I30 K41 R42 T43 Y47 L48 E49I30-L45 HydrophobicContact CD1-CB 3.41Å; I30-L45 VanDerWaalsContact CD1-CB 3.41Å; I30-L45 HydrophobicContact CD1-CD1 3.79Å; I30-L45 HydrophobicContact CD1-CG 4.11Å; K41-L45 PolarHBondContact O-N 2.92Å; R42-L45 PolarHBondContact O-N 3.42Å; T43-L45 VanDerWaalsContact C-N 3.34Å; T43-L45 PolarHBondContact O-N 3.02Å; L45-Y47 VanDerWaalsContact C-N 3.29Å; L45-Y47 PolarHBondContact O-N 3.02Å; L45-L48 PolarHBondContact O-N 3.49Å; L45-E49 HydrophobicContact CD1-CG 4.37Å; L45-E49 WeakPolarHBondContact O-CG 3.49Å; L45-E49 PolarHBondContact O-N 3.23Å
46K96.9Very high96Very high114 Ų11466 Ų6650%0.49632%0.321SS..Hα-helixtrans-54.6-46.7179.5179.6-165.3170.1-163.50111.1R42 T43 T44 R50R42-K46 PolarHBondContact O-N 3.43Å; R42-K46 VanDerWaalsContact O-N 3.16Å; T43-K46 PolarHBondContact O-N 3.47Å; T44-K46 PolarHBondContact O-N 2.86Å; K46-R50 PolarHBondContact O-N 3.36Å
47Y97.6Very high96Very high12 Ų1264.2 Ų64.25%0.04731%0.312CS..Hα-helixtrans-79.7-25.4-177.7-66.9-59.8000113.3F9 E10 A13 L14 T43 T44 L45 R50 L51F9-Y47 HydrophobicContact CD1-CE2 4.44Å; F9-Y47 WeakPolarHBondContact CD1-OH 3.47Å; F9-Y47 AromaticContact CE1-CE2 3.84Å; F9-Y47 HydrophobicContact CE1-CE2 3.84Å; F9-Y47 WeakPolarHBondContact CE1-OH 3.46Å; E10-Y47 HydrophobicContact CB-CE1 3.87Å; E10-Y47 HydrophobicContact CG-CD1 4.29Å; E10-Y47 HydrophobicContact CG-CE1 3.74Å; A13-Y47 HydrophobicContact CB-CD1 4.28Å; A13-Y47 HydrophobicContact CB-CD2 3.46Å; A13-Y47 VanDerWaalsContact CB-CD2 3.46Å; A13-Y47 HydrophobicContact CB-CE1 4.39Å; A13-Y47 HydrophobicContact CB-CE2 3.57Å; A13-Y47 HydrophobicContact CB-CG 3.85Å; L14-Y47 HydrophobicContact CD2-CD1 4.41Å; L14-Y47 VanDerWaalsContact CD2-O 3.27Å; L14-Y47 WeakPolarHBondContact CD2-O 3.38Å; L14-Y47 HydrophobicContact CG-CD1 4.29Å; T43-Y47 HydrophobicContact CG2-CD2 3.77Å; T43-Y47 HydrophobicContact CG2-CE2 3.53Å; T43-Y47 WeakPolarHBondContact O-CD2 3.17Å; T43-Y47 PolarHBondContact O-N 3.18Å; T43-Y47 VanDerWaalsContact O-N 3.14Å; T44-Y47 PolarHBondContact O-N 3.22Å; L45-Y47 VanDerWaalsContact C-N 3.29Å; L45-Y47 PolarHBondContact O-N 3.02Å; Y47-R50 PolarHBondContact O-N 3.24Å; Y47-L51 VanDerWaalsContact O-CB 3.25Å; Y47-L51 WeakPolarHBondContact O-CB 3.48Å; Y47-L51 PolarHBondContact O-N 3.12Å
48L96.8Very high96.1Very high0 Ų062.9 Ų62.90%031%0.306CS..Hα-helixtrans-65.2-43167.2-79.9166000111.9I17 L21 I30 I33 T44 L45 R50 L51 A52 Y74I17-L48 HydrophobicContact CD1-CG 4.34Å; I17-L48 HydrophobicContact CG2-CD2 3.54Å; I17-L48 HydrophobicContact CG2-CG 4.23Å; L21-L48 HydrophobicContact CD1-CD2 4.34Å; I30-L48 HydrophobicContact CB-CD1 4.43Å; I30-L48 HydrophobicContact CD1-CD1 4.32Å; I30-L48 HydrophobicContact CG1-CD1 4.11Å; I33-L48 HydrophobicContact CD1-CD1 4Å; I33-L48 HydrophobicContact CD1-CD2 4.08Å; T44-L48 HydrophobicContact CG2-CD1 3.88Å; T44-L48 HydrophobicContact CG2-CG 4.42Å; T44-L48 WeakPolarHBondContact O-CB 3.1Å; T44-L48 WeakPolarHBondContact O-CG 3.19Å; T44-L48 PolarHBondContact O-N 2.84Å; L45-L48 PolarHBondContact O-N 3.49Å; L48-R50 VanDerWaalsContact C-N 3.33Å; L48-L51 PolarHBondContact O-N 2.81Å; L48-A52 WeakPolarHBondContact O-CB 3.13Å; L48-A52 PolarHBondContact O-N 2.82Å; L48-Y74 HydrophobicContact CB-CE1 4.06Å; L48-Y74 HydrophobicContact CD1-CD2 4.01Å; L48-Y74 HydrophobicContact CD1-CE2 3.72Å; L48-Y74 HydrophobicContact CD2-CD1 3.79Å; L48-Y74 HydrophobicContact CD2-CD2 4Å; L48-Y74 HydrophobicContact CD2-CE1 4.04Å; L48-Y74 HydrophobicContact CD2-CE2 4.28Å; L48-Y74 HydrophobicContact CD2-CG 3.76Å; L48-Y74 HydrophobicContact CG-CE1 4.47Å; L48-Y74 HydrophobicContact CG-CE2 4.41Å
49E96Very high96.2Very high116 Ų11663.8 Ų63.854%0.54229%0.291SS..Hα-helixtrans-62.6-41.4174.7-72.3174.7172.600111.2L45 A52 M53L45-E49 HydrophobicContact CD1-CG 4.37Å; L45-E49 WeakPolarHBondContact O-CG 3.49Å; L45-E49 PolarHBondContact O-N 3.23Å; E49-A52 PolarHBondContact O-N 3.31Å; E49-M53 PolarHBondContact O-N 2.97Å
50R97Very high96.2Very high75 Ų7569.2 Ų69.228%0.28332%0.318SS..Hα-helixtrans-65.5-43.3175-17560.1171.3143.87.4112.1E10 L14 K46 Y47 L48 A52 M53 L54E10-R50 IonicContact OE1-NE 3.2Å; E10-R50 PolarHBondContact OE1-NE 3.48Å; L14-R50 HydrophobicContact CD1-CG 4.2Å; L14-R50 HydrophobicContact CD2-CB 4.13Å; L14-R50 HydrophobicContact CD2-CG 4.13Å; K46-R50 PolarHBondContact O-N 3.36Å; Y47-R50 PolarHBondContact O-N 3.24Å; L48-R50 VanDerWaalsContact C-N 3.33Å; R50-A52 VanDerWaalsContact C-N 3.3Å; R50-A52 PolarHBondContact O-N 2.93Å; R50-M53 PolarHBondContact NH1-SD 3.39Å; R50-M53 WeakPolarHBondContact O-CB 3.12Å; R50-M53 PolarHBondContact O-N 3.22Å; R50-M53 VanDerWaalsContact O-N 3.17Å; R50-L54 WeakPolarHBondContact O-CG 3.42Å; R50-L54 PolarHBondContact O-N 3.38Å
51L97.6Very high96Very high0 Ų066 Ų660%031%0.312CS..Hα-helixtrans-61.7-39175.7-172.665.4000111.7L14 I17 L21 Y47 L48 L54 S55 L67 L87 I91L14-L51 HydrophobicContact CD2-CB 3.86Å; L14-L51 HydrophobicContact CD2-CD1 4.33Å; I17-L51 HydrophobicContact CG2-CD2 3.8Å; L21-L51 HydrophobicContact CD1-CD2 4.39Å; Y47-L51 VanDerWaalsContact O-CB 3.25Å; Y47-L51 WeakPolarHBondContact O-CB 3.48Å; Y47-L51 PolarHBondContact O-N 3.12Å; L48-L51 PolarHBondContact O-N 2.81Å; L51-L54 PolarHBondContact O-N 3.43Å; L51-S55 WeakPolarHBondContact O-CB 3.29Å; L51-S55 PolarHBondContact O-N 2.9Å; L51-L67 HydrophobicContact CG-CD2 4.34Å; L51-L87 HydrophobicContact CD1-CD1 4.12Å; L51-L87 HydrophobicContact CD1-CD2 4.02Å; L51-L87 HydrophobicContact CD1-CG 4.24Å; L51-I91 HydrophobicContact CD1-CD1 3.75Å; L51-I91 HydrophobicContact CD1-CG1 4.28Å
52A96.5Very high95.9Very high15 Ų1563 Ų6312%0.12430%0.301CS..Hα-helixtrans-64.3-38.5174.400000112.4L48 E49 R50 S55 N56 L67 I69L48-A52 WeakPolarHBondContact O-CB 3.13Å; L48-A52 PolarHBondContact O-N 2.82Å; E49-A52 PolarHBondContact O-N 3.31Å; R50-A52 VanDerWaalsContact C-N 3.3Å; R50-A52 PolarHBondContact O-N 2.93Å; A52-S55 PolarHBondContact O-N 2.87Å; A52-N56 PolarHBondContact O-N 3.41Å; A52-N56 PolarHBondContact O-ND2 3.41Å; A52-L67 HydrophobicContact CB-CD2 4.05Å; A52-I69 HydrophobicContact CB-CD1 3.65Å
53M96.2Very high95.7Very high98 Ų9855.6 Ų55.648%0.48329%0.291SS..Hα-helixtrans-62.3-48.1173.8-174.2177175.500111.5E49 R50 S55 N56 E57E49-M53 PolarHBondContact O-N 2.97Å; R50-M53 PolarHBondContact NH1-SD 3.39Å; R50-M53 WeakPolarHBondContact O-CB 3.12Å; R50-M53 PolarHBondContact O-N 3.22Å; R50-M53 VanDerWaalsContact O-N 3.17Å; M53-S55 VanDerWaalsContact C-N 3.31Å; M53-S55 PolarHBondContact O-N 3.14Å; M53-N56 WeakPolarHBondContact O-CB 3.34Å; M53-N56 PolarHBondContact O-N 2.87Å; M53-N56 VanDerWaalsContact O-N 3.12Å; M53-E57 WeakPolarHBondContact CE-OE1 3.06Å; M53-E57 PolarHBondContact O-N 3.05Å; M53-E57 VanDerWaalsContact O-N 3.08Å
54L97.2Very high95.5Very high4 Ų456.4 Ų56.42%0.02130%0.296CS..Hα-helixtrans-62.2-39.4176.5-63165.1000112L14 R50 L51 N56 E57 V58 L87 I91 I94L14-L54 HydrophobicContact CD1-CD1 3.92Å; L14-L54 HydrophobicContact CD2-CD1 4.43Å; R50-L54 WeakPolarHBondContact O-CG 3.42Å; R50-L54 PolarHBondContact O-N 3.38Å; L51-L54 PolarHBondContact O-N 3.43Å; L54-N56 VanDerWaalsContact C-N 3.26Å; L54-N56 PolarHBondContact O-N 2.87Å; L54-E57 PolarHBondContact O-N 3.39Å; L54-V58 WeakPolarHBondContact O-CG2 3.18Å; L54-V58 PolarHBondContact O-N 3.44Å; L54-L87 HydrophobicContact CB-CD1 3.87Å; L54-I91 HydrophobicContact CD1-CG1 4.02Å; L54-I94 HydrophobicContact CD1-CD1 3.49Å; L54-I94 VanDerWaalsContact CD1-CD1 3.49Å; L54-I94 HydrophobicContact CD2-CD1 3.89Å; L54-I94 HydrophobicContact CD2-CG1 4.37Å; L54-I94 HydrophobicContact CG-CD1 4.27Å
55S97.1Very high95.2Very high2 Ų259.4 Ų59.41%0.01431%0.312CS..Hα-helixtrans-59.1-38.7174.6176.90000112L51 A52 M53 K59 P66 L67L51-S55 WeakPolarHBondContact O-CB 3.29Å; L51-S55 PolarHBondContact O-N 2.9Å; A52-S55 PolarHBondContact O-N 2.87Å; M53-S55 VanDerWaalsContact C-N 3.31Å; M53-S55 PolarHBondContact O-N 3.14Å; S55-K59 WeakPolarHBondContact O-CB 3.49Å; S55-K59 PolarHBondContact O-N 3.29Å; S55-P66 VanDerWaalsContact OG-CD 3.31Å; S55-P66 WeakPolarHBondContact OG-CD 3.47Å; S55-P66 VanDerWaalsContact OG-CG 3.28Å; S55-P66 WeakPolarHBondContact OG-CG 3.4Å; S55-L67 VanDerWaalsContact OG-CB 3.31Å; S55-L67 WeakPolarHBondContact OG-CB 3.1Å; S55-L67 PolarHBondContact OG-N 2.87Å; S55-L67 VanDerWaalsContact OG-N 3.14Å
56N96.4Very high95.1Very high85 Ų8556.2 Ų56.246%0.45530%0.296SS..Hα-helixtrans-69.2-41.4176.6-69.1-31.6000111.6A52 M53 L54 V58 K59 E60A52-N56 PolarHBondContact O-N 3.41Å; A52-N56 PolarHBondContact O-ND2 3.41Å; M53-N56 WeakPolarHBondContact O-CB 3.34Å; M53-N56 PolarHBondContact O-N 2.87Å; M53-N56 VanDerWaalsContact O-N 3.12Å; L54-N56 VanDerWaalsContact C-N 3.26Å; L54-N56 PolarHBondContact O-N 2.87Å; N56-V58 VanDerWaalsContact C-N 3.32Å; N56-V58 PolarHBondContact O-N 3.47Å; N56-K59 WeakPolarHBondContact O-CB 3.35Å; N56-K59 PolarHBondContact O-N 3.33Å; N56-E60 WeakPolarHBondContact O-CG 3.27Å; N56-E60 PolarHBondContact O-N 2.87Å
57E95.9Very high95.1Very high87 Ų8751.1 Ų51.141%0.40727%0.274SS..Hα-helixtrans-59.8-42.7174.9-67.9169.5-164.900111.2M53 L54 E60 S61M53-E57 WeakPolarHBondContact CE-OE1 3.06Å; M53-E57 PolarHBondContact O-N 3.05Å; M53-E57 VanDerWaalsContact O-N 3.08Å; L54-E57 PolarHBondContact O-N 3.39Å; E57-E60 PolarHBondContact O-N 3.12Å; E57-S61 PolarHBondContact O-N 3.44Å
58V96.1Very high95Very high7 Ų753.3 Ų53.34%0.04229%0.288CS..Hα-helixtrans-64.8-44.4174170.40000111.3L54 N56 E60 S61 I62 P66 E86 L87 A90L54-V58 WeakPolarHBondContact O-CG2 3.18Å; L54-V58 PolarHBondContact O-N 3.44Å; N56-V58 VanDerWaalsContact C-N 3.32Å; N56-V58 PolarHBondContact O-N 3.47Å; V58-E60 PolarHBondContact O-N 3.03Å; V58-S61 PolarHBondContact O-N 3.1Å; V58-S61 PolarHBondContact O-OG 3.48Å; V58-I62 HydrophobicContact CG1-CD1 3.75Å; V58-I62 HydrophobicContact CG1-CG1 3.92Å; V58-I62 WeakPolarHBondContact O-CG1 3.41Å; V58-I62 PolarHBondContact O-N 2.55Å; V58-P66 HydrophobicContact CB-CG 4.13Å; V58-P66 HydrophobicContact CG1-CG 3.91Å; V58-E86 HydrophobicContact CG1-CB 3.63Å; V58-E86 HydrophobicContact CG2-CB 4.43Å; V58-L87 HydrophobicContact CG2-CD1 4.41Å; V58-A90 HydrophobicContact CG2-CB 3.91Å
59K95.5Very high94.9Very high82 Ų8257.6 Ų57.636%0.35731%0.31SS..Hα-helixtrans-57.5-37.5176.5-174.2-140.8-169.5116.90111.9S55 N56 S61 G63 T64 D65S55-K59 WeakPolarHBondContact O-CB 3.49Å; S55-K59 PolarHBondContact O-N 3.29Å; N56-K59 WeakPolarHBondContact O-CB 3.35Å; N56-K59 PolarHBondContact O-N 3.33Å; K59-S61 VanDerWaalsContact C-N 3.29Å; K59-S61 PolarHBondContact O-N 2.88Å; K59-G63 WeakPolarHBondContact O-CA 3.38Å; K59-G63 PolarHBondContact O-N 3.28Å; K59-T64 WeakPolarHBondContact CA-O 3.3Å; K59-D65 WeakPolarHBondContact CD-OD1 3.32Å; K59-D65 WeakPolarHBondContact CE-OD1 3.05Å; K59-D65 WeakPolarHBondContact CE-OD2 3.38Å; K59-D65 WeakPolarHBondContact CG-OD1 3.47Å; K59-D65 IonicContact NZ-OD1 3.69Å; K59-D65 PolarHBondContact NZ-OD1 3.45Å; K59-D65 IonicContact NZ-OD2 2.91Å; K59-D65 PolarHBondContact NZ-OD2 3.41Å
60E95Very high94.7Very high167 Ų16754.7 Ų54.778%0.7830%0.303SS*.Hα-helixtrans-65.4-30.5175.5-72.6178.2-175.900112.8N56 E57 V58N56-E60 WeakPolarHBondContact O-CG 3.27Å; N56-E60 PolarHBondContact O-N 2.87Å; E57-E60 PolarHBondContact O-N 3.12Å; V58-E60 PolarHBondContact O-N 3.03Å
61S90.3Very high94.1Very high83 Ų8359.7 Ų59.758%0.5833%0.329SS*.Hα-helixtrans-84.1-43.5179.572.70000113.7E57 V58 K59E57-S61 PolarHBondContact O-N 3.44Å; V58-S61 PolarHBondContact O-N 3.1Å; V58-S61 PolarHBondContact O-OG 3.48Å; K59-S61 VanDerWaalsContact C-N 3.29Å; K59-S61 PolarHBondContact O-N 2.88Å
62I92.5Very high93.6Very high53 Ų5369.8 Ų69.827%0.27237%0.367SS..Hα-helixtrans-107-12.3-174.466.1168.6000114.8V58 E83 E86V58-I62 HydrophobicContact CG1-CD1 3.75Å; V58-I62 HydrophobicContact CG1-CG1 3.92Å; V58-I62 WeakPolarHBondContact O-CG1 3.41Å; V58-I62 PolarHBondContact O-N 2.55Å; I62-E83 HydrophobicContact CD1-CB 4.29Å; I62-E83 HydrophobicContact CD1-CG 3.85Å; I62-E86 HydrophobicContact CD1-CB 4.32Å; I62-E86 HydrophobicContact CD1-CG 4.22Å; I62-E86 HydrophobicContact CG2-CG 3.96Å
63G91.3Very high93.5Very high58 Ų5871.4 Ų71.460%0.59837%0.374SS*.SBendtrans87.2-3.3175.300000116.2K59K59-G63 WeakPolarHBondContact O-CA 3.38Å; K59-G63 PolarHBondContact O-N 3.28Å
64T90.8Very high93.6Very high59 Ų5967.8 Ų67.836%0.36236%0.355SS..SBendtrans-123.4147.9179.649.50000111.7K59 P66 E83K59-T64 WeakPolarHBondContact CA-O 3.3Å; T64-P66 VanDerWaalsContact O-CD 3.28Å; T64-P66 WeakPolarHBondContact O-CD 2.99Å; T64-E83 WeakPolarHBondContact CB-OE1 3.38Å; T64-E83 WeakPolarHBondContact OG1-CG 3.25Å; T64-E83 PolarHBondContact OG1-OE1 2.73Å
65D91Very high93.6Very high62 Ų6269.5 Ų69.533%0.33236%0.363SS..  trans-84.3116.4-178.9-70-70.4000111.2K59K59-D65 WeakPolarHBondContact CD-OD1 3.32Å; K59-D65 WeakPolarHBondContact CE-OD1 3.05Å; K59-D65 WeakPolarHBondContact CE-OD2 3.38Å; K59-D65 WeakPolarHBondContact CG-OD1 3.47Å; K59-D65 IonicContact NZ-OD1 3.69Å; K59-D65 PolarHBondContact NZ-OD1 3.45Å; K59-D65 IonicContact NZ-OD2 2.91Å; K59-D65 PolarHBondContact NZ-OD2 3.41Å
66P93.8Very high93.6Very high2 Ų269.5 Ų69.51%0.01336%0.363CS..SBendtrans-72-32.4173.322.9-28.1000112.9S55 V58 T64 E83 L87S55-P66 VanDerWaalsContact OG-CD 3.31Å; S55-P66 WeakPolarHBondContact OG-CD 3.47Å; S55-P66 VanDerWaalsContact OG-CG 3.28Å; S55-P66 WeakPolarHBondContact OG-CG 3.4Å; V58-P66 HydrophobicContact CB-CG 4.13Å; V58-P66 HydrophobicContact CG1-CG 3.91Å; T64-P66 VanDerWaalsContact O-CD 3.28Å; T64-P66 WeakPolarHBondContact O-CD 2.99Å; P66-E83 HydrophobicContact CB-CB 3.9Å; P66-L87 HydrophobicContact CB-CB 3.97Å; P66-L87 HydrophobicContact CB-CD2 3.84Å; P66-L87 HydrophobicContact CB-CG 4.47Å; P66-L87 HydrophobicContact CG-CB 4.13Å; P66-L87 HydrophobicContact CG-CD2 4.07Å; P66-L87 HydrophobicContact CG-CG 4.47Å
67L96.7Very high93.5Very high7 Ų768.4 Ų68.44%0.03736%0.356CS..EExtended strand (participates in β ladder)trans-113.2122178.8-177.971.1000110.7L21 L51 A52 S55 I69 Y74 I76L21-L67 HydrophobicContact CD1-CD1 3.92Å; L51-L67 HydrophobicContact CG-CD2 4.34Å; A52-L67 HydrophobicContact CB-CD2 4.05Å; S55-L67 VanDerWaalsContact OG-CB 3.31Å; S55-L67 WeakPolarHBondContact OG-CB 3.1Å; S55-L67 PolarHBondContact OG-N 2.87Å; S55-L67 VanDerWaalsContact OG-N 3.14Å; L67-I69 HydrophobicContact CD2-CD1 4.08Å; L67-I69 HydrophobicContact CD2-CG1 4.12Å; L67-I69 HydrophobicContact CG-CG1 4.11Å; L67-Y74 HydrophobicContact CD2-CD1 4.27Å; L67-I76 HydrophobicContact CD1-CD1 4.14Å; L67-I76 HydrophobicContact CD1-CG1 3.62Å
68T95.5Very high93.2Very high57 Ų5768.4 Ų68.435%0.3536%0.356SS..EExtended strand (participates in β ladder)trans-94.5131.8171.8-55.90000110.1F27 Q75F27-T68 HydrophobicContact CE1-CG2 3.97Å; F27-T68 HydrophobicContact CZ-CG2 3.78Å; T68-Q75 PolarHBondContact N-O 3.25Å; T68-Q75 PolarHBondContact O-N 3.33Å
69I94.5Very high93Very high91 Ų9173.7 Ų73.747%0.46738%0.381SS..EExtended strand (participates in β ladder)trans-121.5124.9179.8-52.5176.6000109.3A52 L67 N73 Y74A52-I69 HydrophobicContact CB-CD1 3.65Å; L67-I69 HydrophobicContact CD2-CD1 4.08Å; L67-I69 HydrophobicContact CD2-CG1 4.12Å; L67-I69 HydrophobicContact CG-CG1 4.11Å; I69-N73 WeakPolarHBondContact CA-O 3.49Å; I69-Y74 HydrophobicContact CD1-CD1 4.34Å; I69-Y74 HydrophobicContact CD1-CE1 4.17Å; I69-Y74 HydrophobicContact CG1-CD1 4Å; I69-Y74 HydrophobicContact CG1-CE1 4.24Å; I69-Y74 HydrophobicContact CG2-CD1 4.46Å; I69-Y74 HydrophobicContact CG2-CE1 4.27Å
70S91.9Very high92.9Very high55 Ų5572.1 Ų72.139%0.38538%0.376SS..EExtended strand (participates in β ladder)trans-140118.1177.8-1760000111R72 N73S70-R72 PolarHBondContact O-N 2.62Å; S70-R72 VanDerWaalsContact O-N 3.11Å; S70-N73 PolarHBondContact N-O 3.42Å; S70-N73 WeakPolarHBondContact O-CA 3.32Å; S70-N73 VanDerWaalsContact O-CB 3.32Å; S70-N73 WeakPolarHBondContact O-CB 3.46Å; S70-N73 PolarHBondContact O-N 2.74Å; S70-N73 PolarHBondContact O-ND2 3.41Å; S70-N73 VanDerWaalsContact O-ND2 3.12Å
71E85.3Confident92.7Very high180 Ų18072.5 Ų72.584%0.84137%0.372SS*.THydrogen-bonded Turntrans4938.8177.3-59.9-171.9174.100114.9N73E71-N73 VanDerWaalsContact C-N 3.31Å
72R86.8Confident92.8Very high211 Ų21171.8 Ų71.880%0.79636%0.364SS*.THydrogen-bonded Turntrans71.317.3-174.4-49.9179.4171.8-177.3-3.2115.6S70 Y74S70-R72 PolarHBondContact O-N 2.62Å; S70-R72 VanDerWaalsContact O-N 3.11Å; R72-Y74 VanDerWaalsContact O-CE2 3.26Å; R72-Y74 WeakPolarHBondContact O-CE2 3.46Å
73N94Very high92.9Very high50 Ų5070.9 Ų70.927%0.26736%0.358SS..EExtended strand (participates in β ladder)trans-102.2148.6165.2-52-76.4000109.9F27 H28 D29 I69 S70 E71F27-N73 HydrophobicContact CB-CB 3.79Å; F27-N73 HydrophobicContact CD1-CB 3.81Å; F27-N73 HydrophobicContact CG-CB 4.17Å; H28-N73 CarbonylContact O-C 3.2Å; H28-N73 VanDerWaalsContact O-CA 3.31Å; H28-N73 WeakPolarHBondContact O-CA 3.37Å; D29-N73 WeakPolarHBondContact CB-OD1 3.23Å; I69-N73 WeakPolarHBondContact CA-O 3.49Å; S70-N73 PolarHBondContact N-O 3.42Å; S70-N73 WeakPolarHBondContact O-CA 3.32Å; S70-N73 VanDerWaalsContact O-CB 3.32Å; S70-N73 WeakPolarHBondContact O-CB 3.46Å; S70-N73 PolarHBondContact O-N 2.74Å; S70-N73 PolarHBondContact O-ND2 3.41Å; S70-N73 VanDerWaalsContact O-ND2 3.12Å; E71-N73 VanDerWaalsContact C-N 3.31Å
74Y97.6Very high93Very high21 Ų2168.5 Ų68.58%0.08233%0.332CS..EExtended strand (participates in β ladder)trans-123.3140.7-172.5-58-94.1000109.5H28 I33 L48 L67 I69 R72H28-Y74 PolarHBondContact N-O 2.82Å; H28-Y74 PolarHBondContact O-N 3.18Å; I33-Y74 HydrophobicContact CD1-CD2 4.07Å; L48-Y74 HydrophobicContact CB-CE1 4.06Å; L48-Y74 HydrophobicContact CD1-CD2 4.01Å; L48-Y74 HydrophobicContact CD1-CE2 3.72Å; L48-Y74 HydrophobicContact CD2-CD1 3.79Å; L48-Y74 HydrophobicContact CD2-CD2 4Å; L48-Y74 HydrophobicContact CD2-CE1 4.04Å; L48-Y74 HydrophobicContact CD2-CE2 4.28Å; L48-Y74 HydrophobicContact CD2-CG 3.76Å; L48-Y74 HydrophobicContact CG-CE1 4.47Å; L48-Y74 HydrophobicContact CG-CE2 4.41Å; L67-Y74 HydrophobicContact CD2-CD1 4.27Å; I69-Y74 HydrophobicContact CD1-CD1 4.34Å; I69-Y74 HydrophobicContact CD1-CE1 4.17Å; I69-Y74 HydrophobicContact CG1-CD1 4Å; I69-Y74 HydrophobicContact CG1-CE1 4.24Å; I69-Y74 HydrophobicContact CG2-CD1 4.46Å; I69-Y74 HydrophobicContact CG2-CE1 4.27Å; R72-Y74 VanDerWaalsContact O-CE2 3.26Å; R72-Y74 WeakPolarHBondContact O-CE2 3.46Å
75Q97.2Very high93.2Very high40 Ų4067.7 Ų67.719%0.18732%0.323CS..EExtended strand (participates in β ladder)trans-144.5136.5178.6177.8174.940.700110.8G26 F27 T68G26-Q75 WeakPolarHBondContact O-CB 3.38Å; G26-Q75 VanDerWaalsContact O-CG 3.27Å; G26-Q75 WeakPolarHBondContact O-CG 3.39Å; F27-Q75 HydrophobicContact CD1-CB 3.78Å; F27-Q75 HydrophobicContact CE1-CB 3.82Å; F27-Q75 HydrophobicContact CG-CB 4.26Å; F27-Q75 HydrophobicContact CZ-CB 4.33Å; T68-Q75 PolarHBondContact N-O 3.25Å; T68-Q75 PolarHBondContact O-N 3.33Å
76I97.1Very high93.4Very high2 Ų266.9 Ų66.91%0.0132%0.318CS..EExtended strand (participates in β ladder)trans-118.5131.9165.5-65.7-175.3000107.7F18 L21 K22 L67 N84 L87F18-I76 HydrophobicContact CD2-CD1 3.48Å; F18-I76 VanDerWaalsContact CD2-CD1 3.48Å; F18-I76 HydrophobicContact CE2-CD1 4.03Å; F18-I76 HydrophobicContact CG-CD1 4.42Å; L21-I76 HydrophobicContact CB-CB 4.05Å; L21-I76 HydrophobicContact CB-CD1 4.05Å; L21-I76 HydrophobicContact CB-CG1 3.93Å; L21-I76 HydrophobicContact CD1-CD1 4.33Å; L21-I76 HydrophobicContact CD1-CG1 4.32Å; K22-I76 HydrophobicContact CB-CG2 4.05Å; K22-I76 HydrophobicContact CG-CG2 4.34Å; L67-I76 HydrophobicContact CD1-CD1 4.14Å; L67-I76 HydrophobicContact CD1-CG1 3.62Å; I76-N84 WeakPolarHBondContact CG2-OD1 3.48Å; I76-L87 HydrophobicContact CD1-CD2 4.2Å
77I93.7Very high93.6Very high62 Ų6266.8 Ų66.832%0.31832%0.317SS..  trans-89.6114.7179.3-61.2176.8000108.4Q79 N80 N84I77-Q79 HydrophobicContact CG2-CB 4.35Å; I77-Q79 PolarHBondContact O-N 3.12Å; I77-Q79 VanDerWaalsContact O-N 3.15Å; I77-N80 HydrophobicContact CB-CB 4.39Å; I77-N80 WeakPolarHBondContact O-CB 3.21Å; I77-N80 PolarHBondContact O-N 3.04Å; I77-N84 PolarHBondContact O-ND2 3.41Å
78Q91.1Very high93.5Very high87 Ų8766.9 Ų66.941%0.40732%0.318SS..THydrogen-bonded Turntrans-54.6-37-177.1-166.5-177.327.500113.4K22 N80 N84K22-Q78 HydrophobicContact CG-CB 4.44Å; K22-Q78 HydrophobicContact CG-CG 4.18Å; K22-Q78 WeakPolarHBondContact O-CB 3.29Å; Q78-N80 VanDerWaalsContact C-N 3.26Å; Q78-N80 PolarHBondContact O-N 3.2Å; Q78-N84 PolarHBondContact O-ND2 2.94Å; Q78-N84 VanDerWaalsContact O-ND2 3.15Å
79Q91.4Very high93.5Very high118 Ų11864.7 Ų64.755%0.55130%0.304SS*.THydrogen-bonded Turntrans-74.8-11.1-176.8-62.776.91900113.7I77 Y81I77-Q79 HydrophobicContact CG2-CB 4.35Å; I77-Q79 PolarHBondContact O-N 3.12Å; I77-Q79 VanDerWaalsContact O-N 3.15Å; Q79-Y81 WeakPolarHBondContact O-CD2 3.35Å; Q79-Y81 WeakPolarHBondContact O-CE2 3.38Å; Q79-Y81 PolarHBondContact O-N 3.48Å
80N92.9Very high93.6Very high50 Ų5061.5 Ų61.527%0.26729%0.291SS..  trans-80.667.3175.6-70.77.9000109.7I77 Q78 V82 E83 N84I77-N80 HydrophobicContact CB-CB 4.39Å; I77-N80 WeakPolarHBondContact O-CB 3.21Å; I77-N80 PolarHBondContact O-N 3.04Å; Q78-N80 VanDerWaalsContact C-N 3.26Å; Q78-N80 PolarHBondContact O-N 3.2Å; N80-V82 VanDerWaalsContact C-N 3.33Å; N80-V82 PolarHBondContact O-N 2.9Å; N80-E83 HydrophobicContact CB-CB 4.08Å; N80-E83 HydrophobicContact CB-CG 4.35Å; N80-E83 WeakPolarHBondContact CB-OE2 3.31Å; N80-E83 PolarHBondContact O-N 2.87Å; N80-N84 VanDerWaalsContact O-CB 3.22Å; N80-N84 WeakPolarHBondContact O-CB 3.1Å; N80-N84 PolarHBondContact O-N 3.42Å; N80-N84 PolarHBondContact O-ND2 2.77Å; N80-N84 VanDerWaalsContact O-ND2 3.13Å
81Y91.3Very high93.9Very high175 Ų17558.9 Ų58.969%0.68627%0.273SS*.Hα-helixtrans-59.6-39.9-169.5-64.8-74.3000113.5Q79 K85Q79-Y81 WeakPolarHBondContact O-CD2 3.35Å; Q79-Y81 WeakPolarHBondContact O-CE2 3.38Å; Q79-Y81 PolarHBondContact O-N 3.48Å; Y81-K85 VanDerWaalsContact O-CB 3.24Å; Y81-K85 WeakPolarHBondContact O-CB 3.37Å; Y81-K85 PolarHBondContact O-N 3.08Å
82V91.8Very high94.4Very high68 Ų6851.5 Ų51.541%0.41224%0.238SC..Hα-helixtrans-67.6-52.5-179172.70000109.8N80 N84 K85 E86 Y175N80-V82 VanDerWaalsContact C-N 3.33Å; N80-V82 PolarHBondContact O-N 2.9Å; V82-N84 VanDerWaalsContact C-N 3.34Å; V82-N84 PolarHBondContact O-N 3.26Å; V82-K85 PolarHBondContact O-N 3.04Å; V82-E86 WeakPolarHBondContact O-CG 3.47Å; V82-E86 PolarHBondContact O-N 3.42Å; V82-Y175 HydrophobicContact CB-CE2 4.46Å; V82-Y175 HydrophobicContact CG1-CE2 4.01Å; V82-Y175 HydrophobicContact CG2-CE2 4.27Å
83E94.3Very high94.7Very high34 Ų3444.8 Ų44.816%0.15922%0.215CC..Hα-helixtrans-58.2-45.9178.3-66.380.2179.100111.7I62 T64 P66 N80 K85 E86 L87I62-E83 HydrophobicContact CD1-CB 4.29Å; I62-E83 HydrophobicContact CD1-CG 3.85Å; T64-E83 WeakPolarHBondContact CB-OE1 3.38Å; T64-E83 WeakPolarHBondContact OG1-CG 3.25Å; T64-E83 PolarHBondContact OG1-OE1 2.73Å; P66-E83 HydrophobicContact CB-CB 3.9Å; N80-E83 HydrophobicContact CB-CB 4.08Å; N80-E83 HydrophobicContact CB-CG 4.35Å; N80-E83 WeakPolarHBondContact CB-OE2 3.31Å; N80-E83 PolarHBondContact O-N 2.87Å; E83-K85 VanDerWaalsContact C-N 3.26Å; E83-K85 PolarHBondContact O-N 3.25Å; E83-E86 PolarHBondContact O-N 3.08Å; E83-L87 WeakPolarHBondContact O-CB 3.12Å; E83-L87 PolarHBondContact O-N 3.14Å
84N94.7Very high94.6Very high8 Ų844 Ų444%0.04321%0.211CC..Hα-helixtrans-62.9-36.4177.2-70.9-21.9000111.5F18 I76 I77 Q78 N80 V82 S88F18-N84 HydrophobicContact CE2-CB 4.41Å; F18-N84 HydrophobicContact CZ-CB 4.18Å; F18-N84 WeakPolarHBondContact CZ-O 3.38Å; I76-N84 WeakPolarHBondContact CG2-OD1 3.48Å; I77-N84 PolarHBondContact O-ND2 3.41Å; Q78-N84 PolarHBondContact O-ND2 2.94Å; Q78-N84 VanDerWaalsContact O-ND2 3.15Å; N80-N84 VanDerWaalsContact O-CB 3.22Å; N80-N84 WeakPolarHBondContact O-CB 3.1Å; N80-N84 PolarHBondContact O-N 3.42Å; N80-N84 PolarHBondContact O-ND2 2.77Å; N80-N84 VanDerWaalsContact O-ND2 3.13Å; V82-N84 VanDerWaalsContact C-N 3.34Å; V82-N84 PolarHBondContact O-N 3.26Å; N84-S88 WeakPolarHBondContact O-CB 3.35Å; N84-S88 PolarHBondContact O-N 3.03Å; N84-S88 PolarHBondContact O-OG 3.28Å
85K94.5Very high94.5Very high41 Ų4143 Ų4318%0.17821%0.207CC..Hα-helixtrans-71.8-45.8179.9-171.359.3-177.5173.50111.6Y81 V82 E83 L87 S88 L89 L171 Y172 Y175Y81-K85 VanDerWaalsContact O-CB 3.24Å; Y81-K85 WeakPolarHBondContact O-CB 3.37Å; Y81-K85 PolarHBondContact O-N 3.08Å; V82-K85 PolarHBondContact O-N 3.04Å; E83-K85 VanDerWaalsContact C-N 3.26Å; E83-K85 PolarHBondContact O-N 3.25Å; K85-L87 PolarHBondContact O-N 2.83Å; K85-S88 PolarHBondContact O-N 3.33Å; K85-S88 VanDerWaalsContact O-N 3.16Å; K85-S88 PolarHBondContact O-OG 3.15Å; K85-L89 HydrophobicContact CG-CD1 4.46Å; K85-L89 WeakPolarHBondContact O-CG 3.31Å; K85-L89 PolarHBondContact O-N 3.33Å; K85-L171 WeakPolarHBondContact CE-O 3.23Å; K85-L171 PolarHBondContact NZ-O 3.24Å; K85-Y172 VanDerWaalsContact CE-C 3.49Å; K85-Y172 WeakPolarHBondContact CE-O 3.35Å; K85-Y175 HydrophobicContact CB-CD1 4.3Å; K85-Y175 HydrophobicContact CB-CG 4.25Å; K85-Y175 HydrophobicContact CG-CD1 3.53Å; K85-Y175 HydrophobicContact CG-CD2 4.27Å; K85-Y175 HydrophobicContact CG-CE1 4.23Å; K85-Y175 HydrophobicContact CG-CG 3.55Å
86E95.6Very high94.4Very high46 Ų4643.2 Ų43.222%0.21521%0.209CC..Hα-helixtrans-59.7-45.1175.3-72.1-72177.400111.8V58 I62 V82 E83 S88 L89 A90 Y175V58-E86 HydrophobicContact CG1-CB 3.63Å; V58-E86 HydrophobicContact CG2-CB 4.43Å; I62-E86 HydrophobicContact CD1-CB 4.32Å; I62-E86 HydrophobicContact CD1-CG 4.22Å; I62-E86 HydrophobicContact CG2-CG 3.96Å; V82-E86 WeakPolarHBondContact O-CG 3.47Å; V82-E86 PolarHBondContact O-N 3.42Å; E83-E86 PolarHBondContact O-N 3.08Å; E86-S88 VanDerWaalsContact C-N 3.32Å; E86-S88 PolarHBondContact O-N 3.27Å; E86-L89 PolarHBondContact O-N 3.21Å; E86-A90 WeakPolarHBondContact O-CB 3.28Å; E86-A90 PolarHBondContact O-N 3.3Å; E86-Y175 HydrophobicContact CG-CE1 4.03Å; E86-Y175 WeakPolarHBondContact CG-OH 3.46Å; E86-Y175 WeakPolarHBondContact OE1-CE1 3.41Å; E86-Y175 PolarHBondContact OE1-OH 2.91Å
87L97.2Very high94.3Very high0 Ų044 Ų440%021%0.212CC..Hα-helixtrans-63-39.5174.9-174.758000112F18 L51 L54 V58 P66 I76 E83 K85 L89 A90 I91F18-L87 HydrophobicContact CD2-CD2 3.96Å; F18-L87 HydrophobicContact CD2-CG 4.32Å; F18-L87 HydrophobicContact CE2-CB 4.44Å; F18-L87 HydrophobicContact CE2-CD2 4.15Å; F18-L87 HydrophobicContact CE2-CG 4.39Å; L51-L87 HydrophobicContact CD1-CD1 4.12Å; L51-L87 HydrophobicContact CD1-CD2 4.02Å; L51-L87 HydrophobicContact CD1-CG 4.24Å; L54-L87 HydrophobicContact CB-CD1 3.87Å; V58-L87 HydrophobicContact CG2-CD1 4.41Å; P66-L87 HydrophobicContact CB-CB 3.97Å; P66-L87 HydrophobicContact CB-CD2 3.84Å; P66-L87 HydrophobicContact CB-CG 4.47Å; P66-L87 HydrophobicContact CG-CB 4.13Å; P66-L87 HydrophobicContact CG-CD2 4.07Å; P66-L87 HydrophobicContact CG-CG 4.47Å; I76-L87 HydrophobicContact CD1-CD2 4.2Å; E83-L87 WeakPolarHBondContact O-CB 3.12Å; E83-L87 PolarHBondContact O-N 3.14Å; K85-L87 PolarHBondContact O-N 2.83Å; L87-L89 PolarHBondContact O-N 3.29Å; L87-A90 PolarHBondContact O-N 3.24Å; L87-I91 HydrophobicContact CG-CD1 4.36Å; L87-I91 VanDerWaalsContact O-CG1 3.28Å; L87-I91 WeakPolarHBondContact O-CG1 3.33Å; L87-I91 PolarHBondContact O-N 3.42Å
88S95.8Very high94.4Very high9 Ų941.1 Ų41.16%0.06320%0.197CC..Hα-helixtrans-64.3-39175.675.80000112.8F15 N84 K85 E86 I91 Y92F15-S88 WeakPolarHBondContact CZ-O 3.39Å; N84-S88 WeakPolarHBondContact O-CB 3.35Å; N84-S88 PolarHBondContact O-N 3.03Å; N84-S88 PolarHBondContact O-OG 3.28Å; K85-S88 PolarHBondContact O-N 3.33Å; K85-S88 VanDerWaalsContact O-N 3.16Å; K85-S88 PolarHBondContact O-OG 3.15Å; E86-S88 VanDerWaalsContact C-N 3.32Å; E86-S88 PolarHBondContact O-N 3.27Å; S88-I91 PolarHBondContact O-N 3.36Å; S88-Y92 VanDerWaalsContact O-CD2 3.24Å; S88-Y92 WeakPolarHBondContact O-CD2 3.37Å; S88-Y92 PolarHBondContact O-N 2.91Å
89L95.7Very high94.5Very high10 Ų1038.5 Ų38.55%0.05219%0.186CC..Hα-helixtrans-65.7-44.3175.6-73.8171.8000110.7K85 E86 L87 I91 Y92 H93 L171 Y172 Y175K85-L89 HydrophobicContact CG-CD1 4.46Å; K85-L89 WeakPolarHBondContact O-CG 3.31Å; K85-L89 PolarHBondContact O-N 3.33Å; E86-L89 PolarHBondContact O-N 3.21Å; L87-L89 PolarHBondContact O-N 3.29Å; L89-I91 VanDerWaalsContact C-N 3.26Å; L89-I91 PolarHBondContact O-N 3.43Å; L89-Y92 WeakPolarHBondContact O-CB 3.49Å; L89-Y92 PolarHBondContact O-N 2.9Å; L89-Y92 VanDerWaalsContact O-N 3.09Å; L89-H93 PolarHBondContact O-N 2.88Å; L89-H93 PolarHBondContact O-ND1 2.93Å; L89-L171 WeakPolarHBondContact CD2-O 3.47Å; L89-Y172 HydrophobicContact CD1-CD1 3.91Å; L89-Y172 HydrophobicContact CD1-CE1 3.84Å; L89-Y172 HydrophobicContact CD2-CD1 3.95Å; L89-Y172 HydrophobicContact CD2-CE1 3.82Å; L89-Y172 HydrophobicContact CD2-CG 4.38Å; L89-Y175 HydrophobicContact CD1-CD1 3.99Å; L89-Y175 HydrophobicContact CD1-CE1 4.22Å
90A95.8Very high94.7Very high24 Ų2433 Ų3320%0.19816%0.16CC..Hα-helixtrans-58.1-38.117500000112.2V58 E86 L87V58-A90 HydrophobicContact CG2-CB 3.91Å; E86-A90 WeakPolarHBondContact O-CB 3.28Å; E86-A90 PolarHBondContact O-N 3.3Å; L87-A90 PolarHBondContact O-N 3.24Å
91I97.2Very high94.9Very high0 Ų030.6 Ų30.60%015%0.148CC..Hα-helixtrans-68.3-45.7173.7-61.7162.8000110.9L14 F15 F18 L51 L54 L87 S88 L89 H93 I94L14-I91 HydrophobicContact CB-CD1 4.35Å; L14-I91 HydrophobicContact CB-CG1 4.28Å; L14-I91 HydrophobicContact CB-CG2 3.66Å; L14-I91 HydrophobicContact CD1-CG2 4.2Å; F15-I91 HydrophobicContact CD2-CB 4.46Å; F15-I91 HydrophobicContact CD2-CG2 3.51Å; F15-I91 HydrophobicContact CE1-CB 4.48Å; F15-I91 HydrophobicContact CE1-CG2 4.46Å; F15-I91 HydrophobicContact CE2-CB 3.96Å; F15-I91 HydrophobicContact CE2-CG2 3.4Å; F15-I91 VanDerWaalsContact CE2-CG2 3.4Å; F15-I91 HydrophobicContact CG-CG2 4.11Å; F15-I91 HydrophobicContact CZ-CB 3.95Å; F15-I91 HydrophobicContact CZ-CG2 3.89Å; F18-I91 HydrophobicContact CB-CD1 3.97Å; F18-I91 HydrophobicContact CD2-CD1 4.44Å; F18-I91 HydrophobicContact CG-CD1 4.11Å; L51-I91 HydrophobicContact CD1-CD1 3.75Å; L51-I91 HydrophobicContact CD1-CG1 4.28Å; L54-I91 HydrophobicContact CD1-CG1 4.02Å; L87-I91 HydrophobicContact CG-CD1 4.36Å; L87-I91 VanDerWaalsContact O-CG1 3.28Å; L87-I91 WeakPolarHBondContact O-CG1 3.33Å; L87-I91 PolarHBondContact O-N 3.42Å; S88-I91 PolarHBondContact O-N 3.36Å; L89-I91 VanDerWaalsContact C-N 3.26Å; L89-I91 PolarHBondContact O-N 3.43Å; I91-H93 VanDerWaalsContact C-N 3.29Å; I91-H93 PolarHBondContact O-N 3.03Å; I91-I94 WeakPolarHBondContact O-CB 3.26Å; I91-I94 PolarHBondContact O-N 3.47Å
92Y96.1Very high95.1Very high25 Ų2522.9 Ų22.910%0.09812%0.118CC..Hα-helixtrans-57-42.6177.7-86.2-57.2000112.2I3 D4 L7 F15 S88 L89 I94 S95 I98 L171I3-Y92 HydrophobicContact CD1-CD1 4.25Å; I3-Y92 HydrophobicContact CD1-CE1 3.67Å; I3-Y92 HydrophobicContact CD1-CE2 4.39Å; I3-Y92 HydrophobicContact CG1-CE1 4.13Å; D4-Y92 PolarHBondContact OD1-OH 3.04Å; L7-Y92 HydrophobicContact CD1-CE1 4.23Å; L7-Y92 HydrophobicContact CD2-CD1 3.78Å; L7-Y92 HydrophobicContact CD2-CE1 4Å; F15-Y92 HydrophobicContact CE1-CD2 4.45Å; F15-Y92 HydrophobicContact CE1-CE2 4.02Å; F15-Y92 AromaticContact CE2-CD1 3.65Å; F15-Y92 HydrophobicContact CE2-CD1 3.65Å; F15-Y92 HydrophobicContact CE2-CD2 4.14Å; F15-Y92 AromaticContact CE2-CE1 3.58Å; F15-Y92 HydrophobicContact CE2-CE1 3.58Å; F15-Y92 HydrophobicContact CE2-CE2 4.1Å; F15-Y92 AromaticContact CE2-CG 3.89Å; F15-Y92 HydrophobicContact CE2-CG 3.89Å; F15-Y92 AromaticContact CE2-CZ 3.79Å; F15-Y92 AromaticContact CZ-CD1 3.86Å; F15-Y92 HydrophobicContact CZ-CD1 3.86Å; F15-Y92 AromaticContact CZ-CD2 3.48Å; F15-Y92 HydrophobicContact CZ-CD2 3.48Å; F15-Y92 VanDerWaalsContact CZ-CD2 3.48Å; F15-Y92 AromaticContact CZ-CE1 3.73Å; F15-Y92 HydrophobicContact CZ-CE1 3.73Å; F15-Y92 AromaticContact CZ-CE2 3.34Å; F15-Y92 HydrophobicContact CZ-CE2 3.34Å; F15-Y92 AromaticContact CZ-CG 3.7Å; F15-Y92 HydrophobicContact CZ-CG 3.7Å; F15-Y92 AromaticContact CZ-CZ 3.45Å; F15-Y92 VanDerWaalsContact CZ-CZ 3.45Å; S88-Y92 VanDerWaalsContact O-CD2 3.24Å; S88-Y92 WeakPolarHBondContact O-CD2 3.37Å; S88-Y92 PolarHBondContact O-N 2.91Å; L89-Y92 WeakPolarHBondContact O-CB 3.49Å; L89-Y92 PolarHBondContact O-N 2.9Å; L89-Y92 VanDerWaalsContact O-N 3.09Å; Y92-I94 PolarHBondContact O-N 3.1Å; Y92-S95 WeakPolarHBondContact O-CB 3.25Å; Y92-S95 PolarHBondContact O-N 3.23Å; Y92-I98 HydrophobicContact CD1-CG1 4.48Å; Y92-L171 HydrophobicContact CD1-CD2 3.85Å; Y92-L171 HydrophobicContact CD2-CD2 3.77Å; Y92-L171 HydrophobicContact CE1-CD2 4.4Å; Y92-L171 HydrophobicContact CE2-CD2 4.31Å; Y92-L171 HydrophobicContact CG-CD2 3.57Å
93H93.3Very high95.2Very high71 Ų7119.8 Ų19.833%0.32910%0.099SC..THydrogen-bonded Turntrans-75-3.3-177.7-68.4149.6000114.9L89 I91 S95 E102L89-H93 PolarHBondContact O-N 2.88Å; L89-H93 PolarHBondContact O-ND1 2.93Å; I91-H93 VanDerWaalsContact C-N 3.29Å; I91-H93 PolarHBondContact O-N 3.03Å; H93-S95 VanDerWaalsContact C-N 3.32Å; H93-E102 IonicContact CD2-OE2 2.76Å; H93-E102 IonicContact CE1-OE2 2.7Å; H93-E102 IonicContact NE2-OE2 2.61Å; H93-E102 PolarHBondContact NE2-OE2 3.14Å
94I93.3Very high95.2Very high33 Ų3318.7 Ų18.717%0.16910%0.095CC..THydrogen-bonded Turntrans-69.8-35.5164.1-64.9166.7000110.4E10 L14 L54 I91 Y92 I96E10-I94 HydrophobicContact CG-CG2 4.32Å; L14-I94 HydrophobicContact CD1-CD1 3.5Å; L14-I94 VanDerWaalsContact CD1-CD1 3.5Å; L54-I94 HydrophobicContact CD1-CD1 3.49Å; L54-I94 VanDerWaalsContact CD1-CD1 3.49Å; L54-I94 HydrophobicContact CD2-CD1 3.89Å; L54-I94 HydrophobicContact CD2-CG1 4.37Å; L54-I94 HydrophobicContact CG-CD1 4.27Å; I91-I94 WeakPolarHBondContact O-CB 3.26Å; I91-I94 PolarHBondContact O-N 3.47Å; Y92-I94 PolarHBondContact O-N 3.1Å; I94-I96 PolarHBondContact O-N 3.2Å; I94-I96 VanDerWaalsContact O-N 3.14Å
95S94.6Very high95.2Very high1 Ų118.7 Ų18.71%0.00710%0.095CC..  trans-71.3111.2179.5178.90000110.3L6 Y92 H93 K97 I98 D99L6-S95 PolarHBondContact O-OG 2.79Å; L6-S95 VanDerWaalsContact O-OG 3.13Å; Y92-S95 WeakPolarHBondContact O-CB 3.25Å; Y92-S95 PolarHBondContact O-N 3.23Å; H93-S95 VanDerWaalsContact C-N 3.32Å; S95-K97 PolarHBondContact O-N 3.34Å; S95-K97 VanDerWaalsContact O-N 3.16Å; S95-I98 PolarHBondContact O-N 2.92Å; S95-D99 PolarHBondContact O-N 3.01Å
96I94Very high95.2Very high43 Ų4319.3 Ų19.322%0.22110%0.099CC..Hα-helixtrans-55.1-35.1175.1-64.6177.4000111.1I94 L100 Y119 L121I94-I96 PolarHBondContact O-N 3.2Å; I94-I96 VanDerWaalsContact O-N 3.14Å; I96-L100 WeakPolarHBondContact O-CA 3.49Å; I96-L100 WeakPolarHBondContact O-CB 3.33Å; I96-L100 PolarHBondContact O-N 3.15Å; I96-Y119 HydrophobicContact CD1-CD1 4.49Å; I96-Y119 HydrophobicContact CD1-CG 4.47Å; I96-Y119 HydrophobicContact CG1-CD1 4.17Å; I96-Y119 HydrophobicContact CG2-CD1 4.1Å; I96-Y119 HydrophobicContact CG2-CD2 3.9Å; I96-Y119 HydrophobicContact CG2-CE1 4.12Å; I96-Y119 HydrophobicContact CG2-CE2 3.92Å; I96-Y119 HydrophobicContact CG2-CG 4Å; I96-L121 HydrophobicContact CD1-CD1 3.58Å; I96-L121 HydrophobicContact CD1-CG 4.31Å
97K95.8Very high94.9Very high20 Ų2019.8 Ų19.89%0.08710%0.104CC..Hα-helixtrans-67.3-37.3179-73-176.3-81.3-85.20112.7L6 S95 L101 D129 E132 V133L6-K97 HydrophobicContact CB-CB 4.22Å; L6-K97 HydrophobicContact CD2-CB 4.46Å; L6-K97 HydrophobicContact CD2-CD 4.25Å; L6-K97 WeakPolarHBondContact O-CE 3.3Å; S95-K97 PolarHBondContact O-N 3.34Å; S95-K97 VanDerWaalsContact O-N 3.16Å; K97-L101 VanDerWaalsContact O-CB 3.28Å; K97-L101 WeakPolarHBondContact O-CB 3.39Å; K97-L101 PolarHBondContact O-N 2.99Å; K97-L101 VanDerWaalsContact O-N 3.08Å; K97-D129 HydrophobicContact CG-CB 4.03Å; K97-D129 IonicContact NZ-OD1 2.7Å; K97-D129 PolarHBondContact NZ-OD1 3.38Å; K97-E132 HydrophobicContact CD-CB 3.86Å; K97-E132 WeakPolarHBondContact CD-OE2 3.39Å; K97-E132 WeakPolarHBondContact CE-OE2 3.41Å; K97-E132 IonicContact NZ-OE2 3.21Å; K97-E132 PolarHBondContact NZ-OE2 3.01Å; K97-V133 HydrophobicContact CB-CG2 3.8Å; K97-V133 HydrophobicContact CD-CG2 4.3Å; K97-V133 HydrophobicContact CG-CG2 3.85Å
98I96.2Very high94.2Very high0 Ų030.4 Ų30.40%015%0.15CC..Hα-helixtrans-69.1-50.6175.8-65.6-65.7000109.9I3 L6 L7 Y92 S95 L100 L101 E102 F167 L171I3-I98 HydrophobicContact CB-CD1 4.15Å; L6-I98 HydrophobicContact CB-CD1 3.87Å; L6-I98 HydrophobicContact CB-CG1 4.42Å; L6-I98 HydrophobicContact CD1-CD1 4.07Å; L7-I98 HydrophobicContact CD2-CG1 4.07Å; Y92-I98 HydrophobicContact CD1-CG1 4.48Å; S95-I98 PolarHBondContact O-N 2.92Å; I98-L100 VanDerWaalsContact C-N 3.31Å; I98-L100 PolarHBondContact O-N 2.6Å; I98-L101 PolarHBondContact O-N 3.31Å; I98-E102 PolarHBondContact O-N 2.73Å; I98-F167 HydrophobicContact CD1-CE2 4.33Å; I98-F167 HydrophobicContact CG2-CZ 4.41Å; I98-L171 HydrophobicContact CG2-CD1 4.09Å; I98-L171 HydrophobicContact CG2-CD2 3.81Å
99D94Very high93.7Very high33 Ų3335.4 Ų35.418%0.17617%0.172CC..Hα-helixtrans-64.5-35.3179.5177.770.6000112.3S95 G103 K118 Y119S95-D99 PolarHBondContact O-N 3.01Å; D99-G103 PolarHBondContact O-N 3.32Å; D99-K118 IonicContact OD1-NZ 3.85Å; D99-K118 PolarHBondContact OD1-NZ 3.28Å; D99-K118 WeakPolarHBondContact OD2-CE 3.47Å; D99-K118 IonicContact OD2-NZ 3.88Å; D99-K118 PolarHBondContact OD2-NZ 3.34Å; D99-Y119 WeakPolarHBondContact OD2-CE1 3.42Å; D99-Y119 PolarHBondContact OD2-OH 3.38Å
100L95.2Very high93.5Very high1 Ų135.6 Ų35.61%0.00517%0.173CC..Hα-helixtrans-61-50.2171.8173.565.4000110.6I96 I98 E102 G103 L104 L115 Y119 V130 V133 I151I96-L100 WeakPolarHBondContact O-CA 3.49Å; I96-L100 WeakPolarHBondContact O-CB 3.33Å; I96-L100 PolarHBondContact O-N 3.15Å; I98-L100 VanDerWaalsContact C-N 3.31Å; I98-L100 PolarHBondContact O-N 2.6Å; L100-E102 VanDerWaalsContact C-N 3.34Å; L100-E102 PolarHBondContact O-N 3.12Å; L100-G103 CarbonylContact O-C 3.6Å; L100-G103 WeakPolarHBondContact O-CA 3.45Å; L100-G103 PolarHBondContact O-N 3.33Å; L100-G103 VanDerWaalsContact O-N 3.15Å; L100-L104 WeakPolarHBondContact O-CG 3.12Å; L100-L104 PolarHBondContact O-N 3.44Å; L100-L115 HydrophobicContact CD1-CD1 3.66Å; L100-L115 HydrophobicContact CD1-CD2 4.3Å; L100-Y119 WeakPolarHBondContact CA-OH 3.33Å; L100-Y119 PolarHBondContact N-OH 2.91Å; L100-V130 HydrophobicContact CD2-CG2 3.8Å; L100-V133 HydrophobicContact CD2-CG2 4.12Å; L100-I151 HydrophobicContact CD1-CD1 4.06Å
101L95.7Very high93.5Very high0 Ų035.9 Ų35.90%017%0.172CC..Hα-helixtrans-64.1-40.1-177.2-17758.8000111.8L6 K97 I98 L104 V133 F136 L137 F163 F164 F167L6-L101 HydrophobicContact CD1-CD2 3.7Å; K97-L101 VanDerWaalsContact O-CB 3.28Å; K97-L101 WeakPolarHBondContact O-CB 3.39Å; K97-L101 PolarHBondContact O-N 2.99Å; K97-L101 VanDerWaalsContact O-N 3.08Å; I98-L101 PolarHBondContact O-N 3.31Å; L101-L104 HydrophobicContact CD1-CD1 4.06Å; L101-L104 WeakPolarHBondContact O-CB 3.19Å; L101-L104 PolarHBondContact O-N 2.89Å; L101-V133 HydrophobicContact CD1-CG1 4.02Å; L101-F136 HydrophobicContact CD2-CE1 4.27Å; L101-L137 HydrophobicContact CD1-CD1 4.34Å; L101-L137 HydrophobicContact CD1-CD2 4.18Å; L101-F163 HydrophobicContact CD1-CE1 3.93Å; L101-F163 HydrophobicContact CD1-CZ 4.11Å; L101-F163 HydrophobicContact CD2-CE1 4.28Å; L101-F163 HydrophobicContact CD2-CZ 3.82Å; L101-F163 HydrophobicContact CG-CE1 4.39Å; L101-F163 HydrophobicContact CG-CZ 4.4Å; L101-F164 HydrophobicContact CD1-CE1 4.38Å; L101-F164 WeakPolarHBondContact O-CE1 3.5Å; L101-F167 HydrophobicContact CB-CE2 4.26Å; L101-F167 HydrophobicContact CB-CZ 4Å; L101-F167 HydrophobicContact CD2-CD2 3.6Å; L101-F167 HydrophobicContact CD2-CE2 3.36Å; L101-F167 HydrophobicContact CD2-CG 4.34Å; L101-F167 HydrophobicContact CD2-CZ 3.91Å; L101-F167 HydrophobicContact CG-CD2 4.24Å; L101-F167 HydrophobicContact CG-CE1 4.28Å; L101-F167 HydrophobicContact CG-CE2 3.85Å; L101-F167 HydrophobicContact CG-CZ 3.85Å
102E95.7Very high93.5Very high14 Ų1435.9 Ų35.97%0.06517%0.172CC..Hα-helixtrans-61-46.1170.8179.7166.2-174.700111.5H93 I98 L100 L104 L105 L106 F167 F168 Y172H93-E102 IonicContact CD2-OE2 2.76Å; H93-E102 IonicContact CE1-OE2 2.7Å; H93-E102 IonicContact NE2-OE2 2.61Å; H93-E102 PolarHBondContact NE2-OE2 3.14Å; I98-E102 PolarHBondContact O-N 2.73Å; L100-E102 VanDerWaalsContact C-N 3.34Å; L100-E102 PolarHBondContact O-N 3.12Å; E102-L104 VanDerWaalsContact C-N 3.27Å; E102-L104 PolarHBondContact O-N 3.12Å; E102-L105 PolarHBondContact O-N 2.92Å; E102-L105 VanDerWaalsContact O-N 3.1Å; E102-L106 HydrophobicContact CG-CD1 3.53Å; E102-L106 HydrophobicContact CG-CG 4.14Å; E102-L106 PolarHBondContact O-N 2.78Å; E102-L106 WeakPolarHBondContact OE1-CD1 3.17Å; E102-F167 HydrophobicContact CB-CE1 3.96Å; E102-F167 HydrophobicContact CB-CZ 4.19Å; E102-F168 HydrophobicContact CG-CE1 3.73Å; E102-F168 HydrophobicContact CG-CZ 3.88Å; E102-Y172 PolarHBondContact OE1-OH 2.7Å
103G94.2Very high93.4Very high2 Ų240 Ų402%0.02120%0.196CC..Hα-helixtrans-60.1-30.7177.200000114.5D99 L100 L105 L106 N107 N110D99-G103 PolarHBondContact O-N 3.32Å; L100-G103 CarbonylContact O-C 3.6Å; L100-G103 WeakPolarHBondContact O-CA 3.45Å; L100-G103 PolarHBondContact O-N 3.33Å; L100-G103 VanDerWaalsContact O-N 3.15Å; G103-L105 PolarHBondContact O-N 3.18Å; G103-L105 VanDerWaalsContact O-N 3.14Å; G103-L106 PolarHBondContact O-N 2.92Å; G103-N107 WeakPolarHBondContact CA-ND2 3.14Å; G103-N107 WeakPolarHBondContact O-CB 3.3Å; G103-N107 PolarHBondContact O-N 2.81Å; G103-N107 PolarHBondContact O-ND2 2.88Å; G103-N110 PolarHBondContact O-ND2 3.45Å; G103-N110 PolarHBondContact O-OD1 3.01Å; G103-N110 VanDerWaalsContact O-OD1 3.12Å
104L95.3Very high93.5Very high12 Ų1238.5 Ų38.56%0.06319%0.194CC..Hα-helixtrans-59.4-25.7175.8-69.9177.5000113.1L100 L101 E102 N110 L144 I151 L153 F164L100-L104 WeakPolarHBondContact O-CG 3.12Å; L100-L104 PolarHBondContact O-N 3.44Å; L101-L104 HydrophobicContact CD1-CD1 4.06Å; L101-L104 WeakPolarHBondContact O-CB 3.19Å; L101-L104 PolarHBondContact O-N 2.89Å; E102-L104 VanDerWaalsContact C-N 3.27Å; E102-L104 PolarHBondContact O-N 3.12Å; L104-N110 HydrophobicContact CD2-CB 4.29Å; L104-L144 HydrophobicContact CD1-CD1 3.6Å; L104-L144 HydrophobicContact CD1-CD2 4.41Å; L104-L144 HydrophobicContact CD2-CD1 4.28Å; L104-I151 HydrophobicContact CD2-CB 4.1Å; L104-I151 HydrophobicContact CD2-CG2 3.63Å; L104-L153 HydrophobicContact CB-CD1 3.92Å; L104-L153 HydrophobicContact CD1-CD1 4.22Å; L104-L153 HydrophobicContact CD1-CD2 4.25Å; L104-L153 HydrophobicContact CD1-CG 4.26Å; L104-F164 HydrophobicContact CB-CZ 4.25Å
105L94.9Very high93.6Very high8 Ų837.1 Ų37.14%0.04219%0.187CC..Hα-helixtrans-96.5-44.7171.9-169.273.4000112E102 G103 F164 F168 F179 I216 I219 R220E102-L105 PolarHBondContact O-N 2.92Å; E102-L105 VanDerWaalsContact O-N 3.1Å; G103-L105 PolarHBondContact O-N 3.18Å; G103-L105 VanDerWaalsContact O-N 3.14Å; L105-F164 HydrophobicContact CB-CD1 4.1Å; L105-F164 HydrophobicContact CB-CE1 3.86Å; L105-F164 HydrophobicContact CB-CE2 4.27Å; L105-F164 HydrophobicContact CB-CG 4.43Å; L105-F164 HydrophobicContact CB-CZ 3.94Å; L105-F164 HydrophobicContact CD1-CD2 3.98Å; L105-F164 HydrophobicContact CD1-CE2 4.1Å; L105-F164 HydrophobicContact CD1-CG 4.38Å; L105-F164 HydrophobicContact CD2-CB 4.24Å; L105-F164 HydrophobicContact CD2-CD1 4.29Å; L105-F164 HydrophobicContact CD2-CG 4.12Å; L105-F168 HydrophobicContact CB-CE2 4.25Å; L105-F168 HydrophobicContact CB-CZ 4.49Å; L105-F168 HydrophobicContact CD2-CD2 4.22Å; L105-F168 HydrophobicContact CD2-CE2 3.43Å; L105-F168 VanDerWaalsContact CD2-CE2 3.43Å; L105-F168 HydrophobicContact CD2-CZ 4.12Å; L105-F168 HydrophobicContact CG-CE2 4.46Å; L105-F179 HydrophobicContact CD2-CD1 4.5Å; L105-F179 HydrophobicContact CD2-CE1 4.05Å; L105-I216 HydrophobicContact CD2-CB 4.34Å; L105-I216 HydrophobicContact CD2-CG1 3.78Å; L105-I216 HydrophobicContact CD2-CG2 4.21Å; L105-I219 HydrophobicContact CD1-CB 4.45Å; L105-I219 HydrophobicContact CD1-CG2 3.9Å; L105-I219 HydrophobicContact CD2-CD1 4.4Å; L105-I219 HydrophobicContact CG-CD1 4.4Å; L105-I219 HydrophobicContact CG-CG2 4.04Å; L105-I219 VanDerWaalsContact O-CG2 3.29Å; L105-I219 WeakPolarHBondContact O-CG2 3.29Å; L105-R220 VanDerWaalsContact CD1-CD 3.46Å; L105-R220 HydrophobicContact CD1-CG 3.85Å
106L93.7Very high93.6Very high53 Ų5338 Ų3828%0.27719%0.192SC..Hα-helixtrans-87-24.1-166.7-58.1-173.3000114.5E102 G103 F168 P178 F179 I219E102-L106 HydrophobicContact CG-CD1 3.53Å; E102-L106 HydrophobicContact CG-CG 4.14Å; E102-L106 PolarHBondContact O-N 2.78Å; E102-L106 WeakPolarHBondContact OE1-CD1 3.17Å; G103-L106 PolarHBondContact O-N 2.92Å; L106-F168 HydrophobicContact CD1-CE1 4.05Å; L106-F168 HydrophobicContact CD1-CZ 4.08Å; L106-F168 HydrophobicContact CD2-CZ 4.06Å; L106-F168 HydrophobicContact CG-CE1 4.4Å; L106-F168 HydrophobicContact CG-CZ 3.94Å; L106-P178 HydrophobicContact CD1-CB 4.31Å; L106-P178 WeakPolarHBondContact CD1-O 3.47Å; L106-F179 HydrophobicContact CD2-CD1 3.73Å; L106-F179 HydrophobicContact CD2-CE1 4.25Å; L106-I219 HydrophobicContact CD2-CD1 4.11Å
107N89.4Confident93.6Very high57 Ų5742.2 Ų42.231%0.30522%0.215SC..  trans-83.5140.6-178.7-60-26.6000110.9G103 E109 N110G103-N107 WeakPolarHBondContact CA-ND2 3.14Å; G103-N107 WeakPolarHBondContact O-CB 3.3Å; G103-N107 PolarHBondContact O-N 2.81Å; G103-N107 PolarHBondContact O-ND2 2.88Å; N107-E109 VanDerWaalsContact C-N 3.28Å; N107-E109 PolarHBondContact O-N 2.79Å; N107-N110 PolarHBondContact ND2-OD1 3.19Å
108K81.7Confident93.5Very high222 Ų22246.1 Ų46.197%0.96523%0.232SC*.SBendtrans-68.5-28.4170.9-68.9-176177.9-179.50112.9
109E86Confident93.3Very high115 Ų11547.8 Ų47.854%0.53724%0.239SC..  trans-133.4127.1-178.8-171.2-179.7169.800109.8N107 T111N107-E109 VanDerWaalsContact C-N 3.28Å; N107-E109 PolarHBondContact O-N 2.79Å; E109-T111 HydrophobicContact CG-CG2 3.74Å; E109-T111 WeakPolarHBondContact OE1-CG2 3.5Å; E109-T111 PolarHBondContact OE1-OG1 3.31Å
110N92.2Very high93.3Very high14 Ų1453.3 Ų53.38%0.07527%0.268CS..  trans-122.451.4178.6-72-59.8000110.4G103 L104 N107 I151G103-N110 PolarHBondContact O-ND2 3.45Å; G103-N110 PolarHBondContact O-OD1 3.01Å; G103-N110 VanDerWaalsContact O-OD1 3.12Å; L104-N110 HydrophobicContact CD2-CB 4.29Å; N107-N110 PolarHBondContact ND2-OD1 3.19Å; N110-I151 HydrophobicContact CB-CB 4.47Å; N110-I151 WeakPolarHBondContact O-CB 3.37Å; N110-I151 WeakPolarHBondContact O-CG1 3.46Å; N110-I151 PolarHBondContact O-N 3.04Å
111T95.7Very high93.3Very high29 Ų2955.5 Ų55.518%0.17828%0.28CS..BIsolated β-bridgetrans-84.4148.4176.160.60000110.9E109 D113 S114 L115 G149 E150E109-T111 HydrophobicContact CG-CG2 3.74Å; E109-T111 WeakPolarHBondContact OE1-CG2 3.5Å; E109-T111 PolarHBondContact OE1-OG1 3.31Å; T111-D113 PolarHBondContact O-N 3.2Å; T111-S114 PolarHBondContact N-OG 3.33Å; T111-S114 PolarHBondContact O-N 3.33Å; T111-S114 PolarHBondContact O-OG 3.4Å; T111-S114 WeakPolarHBondContact OG1-CB 3.45Å; T111-S114 PolarHBondContact OG1-N 2.62Å; T111-S114 PolarHBondContact OG1-OG 2.95Å; T111-S114 VanDerWaalsContact OG1-OG 3.14Å; T111-L115 WeakPolarHBondContact O-CB 3.36Å; T111-L115 WeakPolarHBondContact O-CD1 3.31Å; T111-L115 VanDerWaalsContact O-CG 3.26Å; T111-L115 WeakPolarHBondContact O-CG 3.03Å; T111-L115 PolarHBondContact O-N 3.04Å; T111-G149 CarbonylContact C-O 3.54Å; T111-G149 WeakPolarHBondContact CA-O 3.37Å; T111-E150 HydrophobicContact CG2-CB 4.43Å
112M95.8Very high93.3Very high0 Ų058.3 Ų58.30%030%0.3CS..Hα-helixtrans-58-37.5176.9-72.4-65.8-60.900111.3L115 T116 Y123 L126 K127 V130 I146 G149 I151M112-L115 PolarHBondContact O-N 3.39Å; M112-T116 WeakPolarHBondContact O-CG2 3.32Å; M112-T116 PolarHBondContact O-N 2.87Å; M112-T116 PolarHBondContact O-OG1 3.19Å; M112-T116 VanDerWaalsContact O-OG1 3.07Å; M112-Y123 HydrophobicContact CB-CD2 3.94Å; M112-Y123 HydrophobicContact CB-CE2 3.42Å; M112-Y123 VanDerWaalsContact CB-CE2 3.42Å; M112-Y123 HydrophobicContact CE-CD2 3.9Å; M112-Y123 HydrophobicContact CE-CE1 4.35Å; M112-Y123 HydrophobicContact CE-CE2 3.71Å; M112-Y123 HydrophobicContact CE-CG 4.31Å; M112-Y123 HydrophobicContact CG-CE2 3.71Å; M112-L126 HydrophobicContact CE-CB 4.13Å; M112-L126 HydrophobicContact CE-CD2 3.7Å; M112-L126 HydrophobicContact CE-CG 3.79Å; M112-L126 HydrophobicContact SD-CD2 4.12Å; M112-L126 HydrophobicContact SD-CG 4.41Å; M112-K127 HydrophobicContact CE-CB 4.12Å; M112-V130 HydrophobicContact SD-CG2 4.17Å; M112-I146 HydrophobicContact CG-CD1 4.49Å; M112-I146 HydrophobicContact CG-CG2 4.06Å; M112-I146 HydrophobicContact SD-CD1 3.93Å; M112-I146 HydrophobicContact SD-CG1 4.43Å; M112-G149 WeakPolarHBondContact CG-O 3.32Å; M112-G149 PolarHBondContact N-O 3.22Å; M112-I151 HydrophobicContact CG-CG1 4.44Å; M112-I151 HydrophobicContact SD-CD1 3.86Å; M112-I151 HydrophobicContact SD-CG1 3.96Å
113D94.6Very high93.3Very high112 Ų11262.3 Ų62.360%0.59932%0.315SS*.Hα-helixtrans-66.6-48.4180-66-14.6000111T111 L115 T116 D117T111-D113 PolarHBondContact O-N 3.2Å; D113-L115 PolarHBondContact O-N 3.04Å; D113-T116 WeakPolarHBondContact CA-OG1 3.47Å; D113-T116 PolarHBondContact O-N 3.26Å; D113-T116 PolarHBondContact O-OG1 3.26Å; D113-D117 PolarHBondContact O-N 2.84Å; D113-D117 VanDerWaalsContact O-N 3.1Å
114S94.8Very high93.4Very high40 Ų4066.4 Ų66.428%0.2834%0.343SS..Hα-helixtrans-61.3-35.9177.871.40000112.1T111 K118T111-S114 PolarHBondContact N-OG 3.33Å; T111-S114 PolarHBondContact O-N 3.33Å; T111-S114 PolarHBondContact O-OG 3.4Å; T111-S114 WeakPolarHBondContact OG1-CB 3.45Å; T111-S114 PolarHBondContact OG1-N 2.62Å; T111-S114 PolarHBondContact OG1-OG 2.95Å; T111-S114 VanDerWaalsContact OG1-OG 3.14Å; S114-K118 WeakPolarHBondContact O-CB 3.19Å; S114-K118 PolarHBondContact O-N 3.04Å
115L95.4Very high93.4Very high3 Ų368.8 Ų68.82%0.01636%0.358CS..Hα-helixtrans-78-35.4179.5-66.9169.2000112.6L100 T111 M112 D113 D117 K118 Y119 L126 I151L100-L115 HydrophobicContact CD1-CD1 3.66Å; L100-L115 HydrophobicContact CD1-CD2 4.3Å; T111-L115 WeakPolarHBondContact O-CB 3.36Å; T111-L115 WeakPolarHBondContact O-CD1 3.31Å; T111-L115 VanDerWaalsContact O-CG 3.26Å; T111-L115 WeakPolarHBondContact O-CG 3.03Å; T111-L115 PolarHBondContact O-N 3.04Å; M112-L115 PolarHBondContact O-N 3.39Å; D113-L115 PolarHBondContact O-N 3.04Å; L115-D117 VanDerWaalsContact C-N 3.25Å; L115-D117 PolarHBondContact O-N 3.47Å; L115-K118 HydrophobicContact CD2-CD 4.44Å; L115-K118 PolarHBondContact O-N 2.96Å; L115-Y119 HydrophobicContact CB-CD2 4.3Å; L115-Y119 HydrophobicContact CB-CE2 4.18Å; L115-Y119 HydrophobicContact CD2-CE2 3.84Å; L115-Y119 WeakPolarHBondContact O-CD2 3.34Å; L115-Y119 PolarHBondContact O-N 3.44Å; L115-L126 HydrophobicContact CB-CD2 3.47Å; L115-L126 VanDerWaalsContact CB-CD2 3.47Å; L115-I151 HydrophobicContact CD1-CD1 3.38Å; L115-I151 HydrophobicContact CD1-CG1 4.36Å
116T95.2Very high93.5Very high19 Ų1968.4 Ų68.412%0.11736%0.356CS..Hα-helixtrans-62.1-38.1172.444.40000111.5M112 D113 N120 L121 L126M112-T116 WeakPolarHBondContact O-CG2 3.32Å; M112-T116 PolarHBondContact O-N 2.87Å; M112-T116 PolarHBondContact O-OG1 3.19Å; M112-T116 VanDerWaalsContact O-OG1 3.07Å; D113-T116 WeakPolarHBondContact CA-OG1 3.47Å; D113-T116 PolarHBondContact O-N 3.26Å; D113-T116 PolarHBondContact O-OG1 3.26Å; T116-N120 VanDerWaalsContact O-CA 3.31Å; T116-N120 WeakPolarHBondContact O-CA 3.36Å; T116-N120 PolarHBondContact O-N 3.48Å; T116-L121 VanDerWaalsContact CB-O 3.31Å; T116-L121 WeakPolarHBondContact CB-O 3.47Å; T116-L121 WeakPolarHBondContact CG2-O 3.31Å; T116-L121 PolarHBondContact O-N 3.24Å; T116-L126 HydrophobicContact CG2-CB 4.23Å; T116-L126 HydrophobicContact CG2-CD2 3.79Å
117D94Very high93.6Very high133 Ų13369.2 Ų69.271%0.71136%0.357SS*.Hα-helixtrans-69.7-46175.3-72-13000111.1D113 L115 Y119 N120D113-D117 PolarHBondContact O-N 2.84Å; D113-D117 VanDerWaalsContact O-N 3.1Å; L115-D117 VanDerWaalsContact C-N 3.25Å; L115-D117 PolarHBondContact O-N 3.47Å; D117-Y119 VanDerWaalsContact C-N 3.34Å; D117-Y119 PolarHBondContact O-N 3.15Å; D117-N120 PolarHBondContact O-N 3.43Å
118K93.3Very high93.9Very high101 Ų10172.8 Ų72.844%0.43937%0.37SS..Hα-helixtrans-55.2-47.4177.7-175.8-175.2-179.8-169.40111.9D99 S114 L115D99-K118 IonicContact OD1-NZ 3.85Å; D99-K118 PolarHBondContact OD1-NZ 3.28Å; D99-K118 WeakPolarHBondContact OD2-CE 3.47Å; D99-K118 IonicContact OD2-NZ 3.88Å; D99-K118 PolarHBondContact OD2-NZ 3.34Å; S114-K118 WeakPolarHBondContact O-CB 3.19Å; S114-K118 PolarHBondContact O-N 3.04Å; L115-K118 HydrophobicContact CD2-CD 4.44Å; L115-K118 PolarHBondContact O-N 2.96Å
119Y92.8Very high94.5Very high35 Ų3563.2 Ų63.214%0.13733%0.33CS..Hα-helixtrans-92.3-3.5-175.1-59.2-55.2000114.2I96 D99 L100 L115 D117 L121 L126I96-Y119 HydrophobicContact CD1-CD1 4.49Å; I96-Y119 HydrophobicContact CD1-CG 4.47Å; I96-Y119 HydrophobicContact CG1-CD1 4.17Å; I96-Y119 HydrophobicContact CG2-CD1 4.1Å; I96-Y119 HydrophobicContact CG2-CD2 3.9Å; I96-Y119 HydrophobicContact CG2-CE1 4.12Å; I96-Y119 HydrophobicContact CG2-CE2 3.92Å; I96-Y119 HydrophobicContact CG2-CG 4Å; D99-Y119 WeakPolarHBondContact OD2-CE1 3.42Å; D99-Y119 PolarHBondContact OD2-OH 3.38Å; L100-Y119 WeakPolarHBondContact CA-OH 3.33Å; L100-Y119 PolarHBondContact N-OH 2.91Å; L115-Y119 HydrophobicContact CB-CD2 4.3Å; L115-Y119 HydrophobicContact CB-CE2 4.18Å; L115-Y119 HydrophobicContact CD2-CE2 3.84Å; L115-Y119 WeakPolarHBondContact O-CD2 3.34Å; L115-Y119 PolarHBondContact O-N 3.44Å; D117-Y119 VanDerWaalsContact C-N 3.34Å; D117-Y119 PolarHBondContact O-N 3.15Å; Y119-L121 PolarHBondContact O-N 2.94Å; Y119-L126 HydrophobicContact CD2-CD1 3.96Å; Y119-L126 HydrophobicContact CE2-CD1 4.25Å
120N95Very high95Very high150 Ų15057.9 Ų57.980%0.80231%0.305SS*.THydrogen-bonded Turntrans5045.9-171.7-171.134.6000112.1T116 D117T116-N120 VanDerWaalsContact O-CA 3.31Å; T116-N120 WeakPolarHBondContact O-CA 3.36Å; T116-N120 PolarHBondContact O-N 3.48Å; D117-N120 PolarHBondContact O-N 3.43Å
121L94Very high95.2Very high46 Ų4661.6 Ų61.624%0.24132%0.318CS..  trans-114.9152.6-178.4-72.6-173.8000111.6I96 T116 Y119 T125I96-L121 HydrophobicContact CD1-CD1 3.58Å; I96-L121 HydrophobicContact CD1-CG 4.31Å; T116-L121 VanDerWaalsContact CB-O 3.31Å; T116-L121 WeakPolarHBondContact CB-O 3.47Å; T116-L121 WeakPolarHBondContact CG2-O 3.31Å; T116-L121 PolarHBondContact O-N 3.24Å; Y119-L121 PolarHBondContact O-N 2.94Å; L121-T125 HydrophobicContact CD1-CG2 4.09Å; L121-T125 HydrophobicContact CD2-CG2 4.12Å
122S96.1Very high95.2Very high60 Ų6063.6 Ų63.642%0.4233%0.326SS..  trans-67.7149.7166.282.40000110.8S124 T125 L126S122-S124 PolarHBondContact O-N 2.94Å; S122-S124 PolarHBondContact OG-OG 3.33Å; S122-S124 VanDerWaalsContact OG-OG 3.07Å; S122-T125 PolarHBondContact O-N 3.02Å; S122-T125 PolarHBondContact OG-N 3.21Å; S122-T125 PolarHBondContact OG-OG1 3.26Å; S122-L126 PolarHBondContact O-N 3.39Å
123Y95.7Very high95.2Very high98 Ų9863.6 Ų63.638%0.38433%0.326SS..Hα-helixtrans-52.8-40.3176.4-175.5-84.1000112.8M112 K127M112-Y123 HydrophobicContact CB-CD2 3.94Å; M112-Y123 HydrophobicContact CB-CE2 3.42Å; M112-Y123 VanDerWaalsContact CB-CE2 3.42Å; M112-Y123 HydrophobicContact CE-CD2 3.9Å; M112-Y123 HydrophobicContact CE-CE1 4.35Å; M112-Y123 HydrophobicContact CE-CE2 3.71Å; M112-Y123 HydrophobicContact CE-CG 4.31Å; M112-Y123 HydrophobicContact CG-CE2 3.71Å; Y123-K127 HydrophobicContact CD1-CD 4.47Å; Y123-K127 HydrophobicContact CE1-CD 3.84Å; Y123-K127 WeakPolarHBondContact O-CB 3.44Å; Y123-K127 PolarHBondContact O-N 3.28Å
124S95.8Very high95.3Very high87 Ų8761.2 Ų61.261%0.60831%0.308SS*.Hα-helixtrans-68.4-35.9179.7490000112.7S122 K128S122-S124 PolarHBondContact O-N 2.94Å; S122-S124 PolarHBondContact OG-OG 3.33Å; S122-S124 VanDerWaalsContact OG-OG 3.07Å; S124-K128 PolarHBondContact O-N 3.47Å
125T95.6Very high95.3Very high63 Ų6362.9 Ų62.939%0.38731%0.314SS..Hα-helixtrans-66.3-53.2174.5-50.70000110.3L121 S122 K127 K128 D129L121-T125 HydrophobicContact CD1-CG2 4.09Å; L121-T125 HydrophobicContact CD2-CG2 4.12Å; S122-T125 PolarHBondContact O-N 3.02Å; S122-T125 PolarHBondContact OG-N 3.21Å; S122-T125 PolarHBondContact OG-OG1 3.26Å; T125-K127 VanDerWaalsContact C-N 3.27Å; T125-K127 PolarHBondContact O-N 2.88Å; T125-K128 VanDerWaalsContact O-CB 3.29Å; T125-K128 WeakPolarHBondContact O-CB 3.47Å; T125-K128 PolarHBondContact O-N 3.44Å; T125-D129 PolarHBondContact O-N 3.25Å
126L95.8Very high95.3Very high0 Ų063.5 Ų63.50%032%0.317CS..Hα-helixtrans-57.9-42179177.462.1000111.6M112 L115 T116 Y119 S122 K128 D129 V130M112-L126 HydrophobicContact CE-CB 4.13Å; M112-L126 HydrophobicContact CE-CD2 3.7Å; M112-L126 HydrophobicContact CE-CG 3.79Å; M112-L126 HydrophobicContact SD-CD2 4.12Å; M112-L126 HydrophobicContact SD-CG 4.41Å; L115-L126 HydrophobicContact CB-CD2 3.47Å; L115-L126 VanDerWaalsContact CB-CD2 3.47Å; T116-L126 HydrophobicContact CG2-CB 4.23Å; T116-L126 HydrophobicContact CG2-CD2 3.79Å; Y119-L126 HydrophobicContact CD2-CD1 3.96Å; Y119-L126 HydrophobicContact CE2-CD1 4.25Å; S122-L126 PolarHBondContact O-N 3.39Å; L126-K128 PolarHBondContact O-N 2.83Å; L126-D129 PolarHBondContact O-N 2.92Å; L126-D129 VanDerWaalsContact O-N 3.08Å; L126-V130 HydrophobicContact CD1-CG2 4.33Å; L126-V130 HydrophobicContact CG-CG2 4.28Å; L126-V130 WeakPolarHBondContact O-CG2 3.46Å; L126-V130 PolarHBondContact O-N 2.89Å
127K95.9Very high95.3Very high69 Ų6962.6 Ų62.630%0.331%0.311SS..Hα-helixtrans-59.1-32.5177.9-173.8172.2-174.4170.90112.8M112 Y123 T125 Y131 I146M112-K127 HydrophobicContact CE-CB 4.12Å; Y123-K127 HydrophobicContact CD1-CD 4.47Å; Y123-K127 HydrophobicContact CE1-CD 3.84Å; Y123-K127 WeakPolarHBondContact O-CB 3.44Å; Y123-K127 PolarHBondContact O-N 3.28Å; T125-K127 VanDerWaalsContact C-N 3.27Å; T125-K127 PolarHBondContact O-N 2.88Å; K127-Y131 VanDerWaalsContact CE-CZ 3.43Å; K127-Y131 WeakPolarHBondContact CE-OH 3.18Å; K127-Y131 HydrophobicContact CG-CE1 4.16Å; K127-Y131 HydrophobicContact CG-CE2 4.17Å; K127-Y131 VanDerWaalsContact O-CG 3.29Å; K127-Y131 PolarHBondContact O-N 2.94Å; K127-Y131 VanDerWaalsContact O-N 3.1Å; K127-I146 HydrophobicContact CG-CD1 4.23Å
128K95.6Very high95.2Very high132 Ų13261 Ų6157%0.57430%0.298SS*.Hα-helixtrans-66.9-46.8174.6-171.5-171.3170.8-160.60110.7S124 T125 L126 V130 Y131 E132S124-K128 PolarHBondContact O-N 3.47Å; T125-K128 VanDerWaalsContact O-CB 3.29Å; T125-K128 WeakPolarHBondContact O-CB 3.47Å; T125-K128 PolarHBondContact O-N 3.44Å; L126-K128 PolarHBondContact O-N 2.83Å; K128-V130 VanDerWaalsContact C-N 3.34Å; K128-V130 PolarHBondContact O-N 3.09Å; K128-Y131 WeakPolarHBondContact O-CB 3.26Å; K128-Y131 PolarHBondContact O-N 2.91Å; K128-Y131 VanDerWaalsContact O-N 3.11Å; K128-E132 VanDerWaalsContact CE-OE1 3.27Å; K128-E132 WeakPolarHBondContact CE-OE1 3.4Å; K128-E132 IonicContact NZ-OE1 2.76Å; K128-E132 PolarHBondContact O-N 3.16Å
129D95.2Very high94.8Very high22 Ų2261.9 Ų61.912%0.11830%0.303CS..Hα-helixtrans-61.7-41.5176.6-70.2-58.2000111.9K97 T125 L126 Y131 E132 V133K97-D129 HydrophobicContact CG-CB 4.03Å; K97-D129 IonicContact NZ-OD1 2.7Å; K97-D129 PolarHBondContact NZ-OD1 3.38Å; T125-D129 PolarHBondContact O-N 3.25Å; L126-D129 PolarHBondContact O-N 2.92Å; L126-D129 VanDerWaalsContact O-N 3.08Å; D129-Y131 VanDerWaalsContact C-N 3.27Å; D129-Y131 PolarHBondContact O-N 3.3Å; D129-E132 PolarHBondContact O-N 3.35Å; D129-V133 WeakPolarHBondContact O-CG2 3.33Å; D129-V133 PolarHBondContact O-N 2.73Å
130V96.5Very high94.5Very high2 Ų260.4 Ų60.41%0.01230%0.298CS..Hα-helixtrans-58.4-39.2173.5174.40000111.4L100 M112 L126 K128 V133 R134 L144 I146 I151L100-V130 HydrophobicContact CD2-CG2 3.8Å; M112-V130 HydrophobicContact SD-CG2 4.17Å; L126-V130 HydrophobicContact CD1-CG2 4.33Å; L126-V130 HydrophobicContact CG-CG2 4.28Å; L126-V130 WeakPolarHBondContact O-CG2 3.46Å; L126-V130 PolarHBondContact O-N 2.89Å; K128-V130 VanDerWaalsContact C-N 3.34Å; K128-V130 PolarHBondContact O-N 3.09Å; V130-V133 PolarHBondContact O-N 2.79Å; V130-R134 WeakPolarHBondContact O-CB 3.34Å; V130-R134 PolarHBondContact O-N 3.15Å; V130-L144 HydrophobicContact CG1-CD2 3.88Å; V130-I146 HydrophobicContact CG1-CD1 4.17Å; V130-I146 HydrophobicContact CG1-CG1 4.25Å; V130-I151 HydrophobicContact CG1-CD1 4.4Å; V130-I151 HydrophobicContact CG2-CD1 3.67Å
131Y96Very high94.3Very high93 Ų9358 Ų5837%0.36529%0.286SS..Hα-helixtrans-71.2-35.5178.1-73.1-5.5000113.1K127 K128 D129 R134 D135 I146K127-Y131 VanDerWaalsContact CE-CZ 3.43Å; K127-Y131 WeakPolarHBondContact CE-OH 3.18Å; K127-Y131 HydrophobicContact CG-CE1 4.16Å; K127-Y131 HydrophobicContact CG-CE2 4.17Å; K127-Y131 VanDerWaalsContact O-CG 3.29Å; K127-Y131 PolarHBondContact O-N 2.94Å; K127-Y131 VanDerWaalsContact O-N 3.1Å; K128-Y131 WeakPolarHBondContact O-CB 3.26Å; K128-Y131 PolarHBondContact O-N 2.91Å; K128-Y131 VanDerWaalsContact O-N 3.11Å; D129-Y131 VanDerWaalsContact C-N 3.27Å; D129-Y131 PolarHBondContact O-N 3.3Å; Y131-R134 WeakPolarHBondContact O-CB 3.41Å; Y131-R134 PolarHBondContact O-N 3.04Å; Y131-D135 WeakPolarHBondContact O-CB 3.47Å; Y131-D135 PolarHBondContact O-N 3.39Å; Y131-I146 HydrophobicContact CE1-CD1 4.39Å
132E95.5Very high94.4Very high71 Ų7155.9 Ų55.933%0.33228%0.275SS..Hα-helixtrans-64.5-43.9172.3-70.8176.4-163.800110.8K97 K128 D129 D135 F136K97-E132 HydrophobicContact CD-CB 3.86Å; K97-E132 WeakPolarHBondContact CD-OE2 3.39Å; K97-E132 WeakPolarHBondContact CE-OE2 3.41Å; K97-E132 IonicContact NZ-OE2 3.21Å; K97-E132 PolarHBondContact NZ-OE2 3.01Å; K128-E132 VanDerWaalsContact CE-OE1 3.27Å; K128-E132 WeakPolarHBondContact CE-OE1 3.4Å; K128-E132 IonicContact NZ-OE1 2.76Å; K128-E132 PolarHBondContact O-N 3.16Å; D129-E132 PolarHBondContact O-N 3.35Å; E132-D135 PolarHBondContact O-N 3.29Å; E132-F136 PolarHBondContact O-N 3.02Å
133V96.8Very high94.4Very high0 Ų056.5 Ų56.50%027%0.273CS..Hα-helixtrans-62.7-42.7173.81750000111.5L6 K97 L100 L101 D129 V130 D135 F136 L137 L144L6-V133 HydrophobicContact CD2-CG2 4.33Å; K97-V133 HydrophobicContact CB-CG2 3.8Å; K97-V133 HydrophobicContact CD-CG2 4.3Å; K97-V133 HydrophobicContact CG-CG2 3.85Å; L100-V133 HydrophobicContact CD2-CG2 4.12Å; L101-V133 HydrophobicContact CD1-CG1 4.02Å; D129-V133 WeakPolarHBondContact O-CG2 3.33Å; D129-V133 PolarHBondContact O-N 2.73Å; V130-V133 PolarHBondContact O-N 2.79Å; V133-D135 VanDerWaalsContact C-N 3.31Å; V133-D135 PolarHBondContact O-N 3.37Å; V133-F136 WeakPolarHBondContact O-CB 3.44Å; V133-F136 PolarHBondContact O-N 3.4Å; V133-L137 HydrophobicContact CG1-CD1 3.93Å; V133-L137 HydrophobicContact CG1-CG 4.33Å; V133-L137 WeakPolarHBondContact O-CG 3.47Å; V133-L137 PolarHBondContact O-N 3.49Å; V133-L144 HydrophobicContact CB-CD2 4.33Å; V133-L144 HydrophobicContact CG1-CD2 4.03Å
134R96.2Very high94.4Very high61 Ų6152 Ų5223%0.2326%0.256CS..Hα-helixtrans-56.9-46.6174.4179.7-164.967.4-155.2-8.3111.3V130 Y131 F136 L137 K138 L144V130-R134 WeakPolarHBondContact O-CB 3.34Å; V130-R134 PolarHBondContact O-N 3.15Å; Y131-R134 WeakPolarHBondContact O-CB 3.41Å; Y131-R134 PolarHBondContact O-N 3.04Å; R134-F136 VanDerWaalsContact C-N 3.3Å; R134-F136 PolarHBondContact O-N 2.97Å; R134-L137 PolarHBondContact O-N 3.35Å; R134-K138 WeakPolarHBondContact O-CG 3.41Å; R134-K138 PolarHBondContact O-N 2.97Å; R134-K138 VanDerWaalsContact O-N 3.14Å; R134-L144 HydrophobicContact CB-CB 3.89Å; R134-L144 HydrophobicContact CB-CD2 4.2Å; R134-L144 WeakPolarHBondContact CD-O 3.46Å; R134-L144 HydrophobicContact CG-CB 3.98Å; R134-L144 WeakPolarHBondContact CG-O 3.37Å
135D95.2Very high94.4Very high75 Ų7552.1 Ų52.140%0.40125%0.246SC..Hα-helixtrans-70-31.5-175.9-66.9-20.1000111.5Y131 E132 V133 K138Y131-D135 WeakPolarHBondContact O-CB 3.47Å; Y131-D135 PolarHBondContact O-N 3.39Å; E132-D135 PolarHBondContact O-N 3.29Å; V133-D135 VanDerWaalsContact C-N 3.31Å; V133-D135 PolarHBondContact O-N 3.37Å; D135-K138 IonicContact OD1-NZ 2.6Å; D135-K138 PolarHBondContact OD1-NZ 3.48Å
136F94.5Very high94.4Very high17 Ų1751.5 Ų51.58%0.07524%0.241CC..Hα-helixtrans-63.5-46.2167.5175.6-99.9000112.7M1 S2 L5 L6 L101 E132 V133 R134 K138 E139 F163M1-F136 HydrophobicContact CG-CD2 4.29Å; M1-F136 HydrophobicContact CG-CE1 4.34Å; M1-F136 HydrophobicContact CG-CE2 3.47Å; M1-F136 VanDerWaalsContact CG-CE2 3.47Å; M1-F136 HydrophobicContact CG-CZ 3.51Å; M1-F136 HydrophobicContact SD-CD1 4.08Å; M1-F136 HydrophobicContact SD-CD2 4.17Å; M1-F136 HydrophobicContact SD-CE1 3.58Å; M1-F136 VanDerWaalsContact SD-CE1 3.58Å; M1-F136 HydrophobicContact SD-CE2 3.68Å; M1-F136 HydrophobicContact SD-CG 4.37Å; M1-F136 HydrophobicContact SD-CZ 3.37Å; M1-F136 WeakPolarHBondContact SD-CZ 3.42Å; S2-F136 WeakPolarHBondContact O-CE2 3.3Å; L5-F136 HydrophobicContact CB-CD2 4.37Å; L5-F136 HydrophobicContact CB-CE2 4.24Å; L5-F136 HydrophobicContact CD1-CE2 4.44Å; L6-F136 HydrophobicContact CD1-CD1 3.75Å; L6-F136 HydrophobicContact CD1-CD2 4.5Å; L6-F136 HydrophobicContact CD1-CE1 3.7Å; L6-F136 HydrophobicContact CD1-CE2 4.45Å; L6-F136 HydrophobicContact CD1-CG 4.15Å; L6-F136 HydrophobicContact CD1-CZ 4.06Å; L6-F136 HydrophobicContact CD2-CB 3.72Å; L6-F136 HydrophobicContact CD2-CD1 4.11Å; L6-F136 HydrophobicContact CD2-CD2 4.09Å; L6-F136 HydrophobicContact CD2-CG 3.73Å; L6-F136 HydrophobicContact CG-CD1 4.11Å; L6-F136 HydrophobicContact CG-CD2 4.04Å; L6-F136 HydrophobicContact CG-CE1 4.26Å; L6-F136 HydrophobicContact CG-CE2 4.19Å; L6-F136 HydrophobicContact CG-CG 3.98Å; L6-F136 HydrophobicContact CG-CZ 4.29Å; L101-F136 HydrophobicContact CD2-CE1 4.27Å; E132-F136 PolarHBondContact O-N 3.02Å; V133-F136 WeakPolarHBondContact O-CB 3.44Å; V133-F136 PolarHBondContact O-N 3.4Å; R134-F136 VanDerWaalsContact C-N 3.3Å; R134-F136 PolarHBondContact O-N 2.97Å; F136-K138 VanDerWaalsContact C-N 3.26Å; F136-K138 PolarHBondContact O-N 3.25Å; F136-E139 PolarHBondContact O-N 3.26Å; F136-F163 AromaticContact CE1-CE2 3.93Å; F136-F163 HydrophobicContact CE1-CE2 3.93Å; F136-F163 HydrophobicContact CE1-CZ 4.05Å
137L94.9Very high94.2Very high0 Ų060 Ų600%027%0.273CS..Hα-helixtrans-64.3-26.9-179.1-74.8171.8000113.8L101 V133 R134 E139 A140 N141 I142 L144 L153 F163L101-L137 HydrophobicContact CD1-CD1 4.34Å; L101-L137 HydrophobicContact CD1-CD2 4.18Å; V133-L137 HydrophobicContact CG1-CD1 3.93Å; V133-L137 HydrophobicContact CG1-CG 4.33Å; V133-L137 WeakPolarHBondContact O-CG 3.47Å; V133-L137 PolarHBondContact O-N 3.49Å; R134-L137 PolarHBondContact O-N 3.35Å; L137-E139 PolarHBondContact O-N 3.35Å; L137-A140 WeakPolarHBondContact O-CA 3.22Å; L137-A140 WeakPolarHBondContact O-CB 3.43Å; L137-A140 PolarHBondContact O-N 2.7Å; L137-N141 PolarHBondContact O-N 3.5Å; L137-I142 CarbonylContact C-O 3.15Å; L137-I142 VanDerWaalsContact C-O 3.29Å; L137-I142 HydrophobicContact CB-CB 4.18Å; L137-I142 HydrophobicContact CB-CG2 4.36Å; L137-I142 WeakPolarHBondContact CB-O 3.4Å; L137-I142 HydrophobicContact CD1-CG2 4.41Å; L137-I142 HydrophobicContact CD2-CB 4.36Å; L137-I142 HydrophobicContact CD2-CD1 4.41Å; L137-I142 HydrophobicContact CD2-CG2 4.26Å; L137-I142 PolarHBondContact O-N 3.45Å; L137-I142 VanDerWaalsContact O-N 3.16Å; L137-L144 HydrophobicContact CD1-CB 4.01Å; L137-L144 HydrophobicContact CD1-CD1 4.31Å; L137-L144 HydrophobicContact CD1-CD2 4.27Å; L137-L144 HydrophobicContact CD1-CG 4.45Å; L137-L153 HydrophobicContact CD1-CD2 3.77Å; L137-F163 HydrophobicContact CD2-CD1 4.15Å; L137-F163 HydrophobicContact CD2-CD2 4.34Å; L137-F163 HydrophobicContact CD2-CE1 3.53Å; L137-F163 HydrophobicContact CD2-CE2 3.74Å; L137-F163 HydrophobicContact CD2-CZ 3.28Å
138K92.3Very high94Very high98 Ų9864.7 Ų64.743%0.42630%0.301SS..G310 helixtrans-58.8-31.7176.4-77.4175-176.51600113.3R134 D135 F136 A140 N141R134-K138 WeakPolarHBondContact O-CG 3.41Å; R134-K138 PolarHBondContact O-N 2.97Å; R134-K138 VanDerWaalsContact O-N 3.14Å; D135-K138 IonicContact OD1-NZ 2.6Å; D135-K138 PolarHBondContact OD1-NZ 3.48Å; F136-K138 VanDerWaalsContact C-N 3.26Å; F136-K138 PolarHBondContact O-N 3.25Å; K138-A140 PolarHBondContact O-N 3.15Å; K138-N141 PolarHBondContact O-N 3.29Å
139E85.8Confident93.8Very high120 Ų12059.8 Ų59.856%0.56129%0.287SS*.G310 helixtrans-62.2-24175.6-71.7-172.8-177.600112.4M1 F136 L137M1-E139 HydrophobicContact CE-CB 3.3Å; M1-E139 HydrophobicContact SD-CB 4.46Å; F136-E139 PolarHBondContact O-N 3.26Å; L137-E139 PolarHBondContact O-N 3.35Å
140A86.5Confident93.8Very high4 Ų463.5 Ų63.53%0.03330%0.304CS..G310 helixtrans-96.28175.600000112.8M1 L137 K138 I142 T159 F163 Y343M1-A140 HydrophobicContact CE-CB 3.68Å; L137-A140 WeakPolarHBondContact O-CA 3.22Å; L137-A140 WeakPolarHBondContact O-CB 3.43Å; L137-A140 PolarHBondContact O-N 2.7Å; K138-A140 PolarHBondContact O-N 3.15Å; A140-I142 HydrophobicContact CB-CD1 3.97Å; A140-I142 HydrophobicContact CB-CG1 4.2Å; A140-I142 PolarHBondContact O-N 2.97Å; A140-T159 VanDerWaalsContact O-CG2 3.24Å; A140-T159 WeakPolarHBondContact O-CG2 3.45Å; A140-F163 HydrophobicContact CB-CD2 4.12Å; A140-Y343 HydrophobicContact CB-CE2 4.49Å
141N90.5Very high93.8Very high100 Ų10063.7 Ų63.754%0.53531%0.305SS..THydrogen-bonded Turntrans5637-171.1-56-44.7000113L137 K138L137-N141 PolarHBondContact O-N 3.5Å; K138-N141 PolarHBondContact O-N 3.29Å
142I95.1Very high93.7Very high1 Ų161.1 Ų61.11%0.00530%0.299CS..  trans-111.3129.4174.3-62.3168.3000107.9L137 A140 L153 T159 I160 F163L137-I142 CarbonylContact C-O 3.15Å; L137-I142 VanDerWaalsContact C-O 3.29Å; L137-I142 HydrophobicContact CB-CB 4.18Å; L137-I142 HydrophobicContact CB-CG2 4.36Å; L137-I142 WeakPolarHBondContact CB-O 3.4Å; L137-I142 HydrophobicContact CD1-CG2 4.41Å; L137-I142 HydrophobicContact CD2-CB 4.36Å; L137-I142 HydrophobicContact CD2-CD1 4.41Å; L137-I142 HydrophobicContact CD2-CG2 4.26Å; L137-I142 PolarHBondContact O-N 3.45Å; L137-I142 VanDerWaalsContact O-N 3.16Å; A140-I142 HydrophobicContact CB-CD1 3.97Å; A140-I142 HydrophobicContact CB-CG1 4.2Å; A140-I142 PolarHBondContact O-N 2.97Å; I142-L153 HydrophobicContact CG2-CD2 3.7Å; I142-T159 HydrophobicContact CD1-CG2 4.48Å; I142-T159 HydrophobicContact CG1-CG2 4.24Å; I142-I160 HydrophobicContact CD1-CG1 4.19Å; I142-I160 HydrophobicContact CG1-CG1 4.04Å; I142-I160 HydrophobicContact CG2-CG1 4.18Å; I142-F163 HydrophobicContact CD1-CB 3.44Å; I142-F163 VanDerWaalsContact CD1-CB 3.44Å; I142-F163 HydrophobicContact CD1-CD1 3.98Å; I142-F163 HydrophobicContact CD1-CD2 4.17Å; I142-F163 HydrophobicContact CD1-CG 3.59Å
143D96.3Very high93.7Very high73 Ų7358.3 Ų58.339%0.3929%0.286SS..EExtended strand (participates in β ladder)trans-96.3142.2176.3-71.4-56.7000111H145 L153 S154D143-H145 WeakPolarHBondContact CB-NE2 3.43Å; D143-L153 WeakPolarHBondContact O-CA 3.43Å; D143-S154 PolarHBondContact N-O 2.85Å; D143-S154 PolarHBondContact O-N 3.48Å
144L97.2Very high93.5Very high4 Ų460.4 Ų60.42%0.02130%0.301CS..EExtended strand (participates in β ladder)trans-123.7121.9173.7-169.874.9000109.3L104 V130 V133 R134 L137 I151 L153L104-L144 HydrophobicContact CD1-CD1 3.6Å; L104-L144 HydrophobicContact CD1-CD2 4.41Å; L104-L144 HydrophobicContact CD2-CD1 4.28Å; V130-L144 HydrophobicContact CG1-CD2 3.88Å; V133-L144 HydrophobicContact CB-CD2 4.33Å; V133-L144 HydrophobicContact CG1-CD2 4.03Å; R134-L144 HydrophobicContact CB-CB 3.89Å; R134-L144 HydrophobicContact CB-CD2 4.2Å; R134-L144 WeakPolarHBondContact CD-O 3.46Å; R134-L144 HydrophobicContact CG-CB 3.98Å; R134-L144 WeakPolarHBondContact CG-O 3.37Å; L137-L144 HydrophobicContact CD1-CB 4.01Å; L137-L144 HydrophobicContact CD1-CD1 4.31Å; L137-L144 HydrophobicContact CD1-CD2 4.27Å; L137-L144 HydrophobicContact CD1-CG 4.45Å; L144-I151 HydrophobicContact CD1-CG2 3.47Å; L144-I151 VanDerWaalsContact CD1-CG2 3.47Å; L144-I151 HydrophobicContact CD2-CG2 4.14Å; L144-I151 HydrophobicContact CG-CG2 3.8Å; L144-L153 HydrophobicContact CD1-CD2 3.52Å; L144-L153 HydrophobicContact CD1-CG 3.87Å
145H94.7Very high93.4Very high89 Ų8959.2 Ų59.241%0.41231%0.308SS..EExtended strand (participates in β ladder)trans-124.1151.7-175.4-55.3-61000111.5D143 I151 V152 S154D143-H145 WeakPolarHBondContact CB-NE2 3.43Å; H145-I151 CarbonylContact O-C 3.6Å; H145-I151 WeakPolarHBondContact O-CA 3.29Å; H145-V152 PolarHBondContact N-O 3.09Å; H145-V152 PolarHBondContact O-N 3.14Å; H145-S154 PolarHBondContact CD2-OG 3.23Å; H145-S154 PolarHBondContact NE2-OG 3.43Å; H145-S154 VanDerWaalsContact NE2-OG 3.16Å
146I94.8Very high93.4Very high51 Ų5159.2 Ų59.226%0.26231%0.307SS..EExtended strand (participates in β ladder)trans-103.8110.6165.8-56.3171.4000106.9M112 K127 V130 Y131 E150M112-I146 HydrophobicContact CG-CD1 4.49Å; M112-I146 HydrophobicContact CG-CG2 4.06Å; M112-I146 HydrophobicContact SD-CD1 3.93Å; M112-I146 HydrophobicContact SD-CG1 4.43Å; K127-I146 HydrophobicContact CG-CD1 4.23Å; V130-I146 HydrophobicContact CG1-CD1 4.17Å; V130-I146 HydrophobicContact CG1-CG1 4.25Å; Y131-I146 HydrophobicContact CE1-CD1 4.39Å; I146-E150 CarbonylContact C-O 3.29Å; I146-E150 VanDerWaalsContact CA-O 3.29Å; I146-E150 WeakPolarHBondContact CA-O 3.19Å
147R92.1Very high93.5Very high179 Ų17958.9 Ų58.968%0.67531%0.306SS*.EExtended strand (participates in β ladder)trans-120.9117.5-179.8-171.5178.4-177.5-176.4-0.3109.2G149 E150 V152R147-G149 PolarHBondContact O-N 2.88Å; R147-G149 VanDerWaalsContact O-N 3.16Å; R147-E150 PolarHBondContact N-O 2.95Å; R147-E150 WeakPolarHBondContact O-CB 3.49Å; R147-E150 PolarHBondContact O-N 3Å; R147-V152 HydrophobicContact CB-CG2 4.4Å
148N91.7Very high93.6Very high167 Ų16758.9 Ų58.989%0.89331%0.306SS*.THydrogen-bonded Turntrans52.833.7-177.8-57.7-23.3000113.9E150N148-E150 VanDerWaalsContact C-N 3.28Å; N148-E150 PolarHBondContact O-N 3.45Å
149G92.8Very high93.7Very high28 Ų2854.4 Ų54.429%0.28929%0.287SS..THydrogen-bonded Turntrans86.2-11.3-177.800000114.5T111 M112 R147T111-G149 CarbonylContact C-O 3.54Å; T111-G149 WeakPolarHBondContact CA-O 3.37Å; M112-G149 WeakPolarHBondContact CG-O 3.32Å; M112-G149 PolarHBondContact N-O 3.22Å; R147-G149 PolarHBondContact O-N 2.88Å; R147-G149 VanDerWaalsContact O-N 3.16Å
150E94.6Very high94.2Very high100 Ų10048.8 Ų48.847%0.46726%0.26SS..EExtended strand (participates in β ladder)trans-88.1139.5174.7-170.7178.4-166.400111.2T111 I146 R147 N148 V152T111-E150 HydrophobicContact CG2-CB 4.43Å; I146-E150 CarbonylContact C-O 3.29Å; I146-E150 VanDerWaalsContact CA-O 3.29Å; I146-E150 WeakPolarHBondContact CA-O 3.19Å; R147-E150 PolarHBondContact N-O 2.95Å; R147-E150 WeakPolarHBondContact O-CB 3.49Å; R147-E150 PolarHBondContact O-N 3Å; N148-E150 VanDerWaalsContact C-N 3.28Å; N148-E150 PolarHBondContact O-N 3.45Å; E150-V152 HydrophobicContact CB-CG2 4.24Å; E150-V152 HydrophobicContact CG-CG2 3.94Å
151I96Very high94.6Very high7 Ų748.6 Ų48.64%0.03626%0.259CS..EExtended strand (participates in β ladder)trans-88117.3171.3-52.5178.8000108.5L100 L104 N110 M112 L115 V130 L144 H145L100-I151 HydrophobicContact CD1-CD1 4.06Å; L104-I151 HydrophobicContact CD2-CB 4.1Å; L104-I151 HydrophobicContact CD2-CG2 3.63Å; N110-I151 HydrophobicContact CB-CB 4.47Å; N110-I151 WeakPolarHBondContact O-CB 3.37Å; N110-I151 WeakPolarHBondContact O-CG1 3.46Å; N110-I151 PolarHBondContact O-N 3.04Å; M112-I151 HydrophobicContact CG-CG1 4.44Å; M112-I151 HydrophobicContact SD-CD1 3.86Å; M112-I151 HydrophobicContact SD-CG1 3.96Å; L115-I151 HydrophobicContact CD1-CD1 3.38Å; L115-I151 HydrophobicContact CD1-CG1 4.36Å; V130-I151 HydrophobicContact CG1-CD1 4.4Å; V130-I151 HydrophobicContact CG2-CD1 3.67Å; L144-I151 HydrophobicContact CD1-CG2 3.47Å; L144-I151 VanDerWaalsContact CD1-CG2 3.47Å; L144-I151 HydrophobicContact CD2-CG2 4.14Å; L144-I151 HydrophobicContact CG-CG2 3.8Å; H145-I151 CarbonylContact O-C 3.6Å; H145-I151 WeakPolarHBondContact O-CA 3.29Å
152V94Very high94.7Very high39 Ų3943.8 Ų43.824%0.23623%0.233CC..EExtended strand (participates in β ladder)trans-121.2130.1-172.3-176.90000110.1H145 R147 E150H145-V152 PolarHBondContact N-O 3.09Å; H145-V152 PolarHBondContact O-N 3.14Å; R147-V152 HydrophobicContact CB-CG2 4.4Å; E150-V152 HydrophobicContact CB-CG2 4.24Å; E150-V152 HydrophobicContact CG-CG2 3.94Å
153L95.3Very high94.7Very high12 Ų1244 Ų446%0.06323%0.234CC..EExtended strand (participates in β ladder)trans-87.3138169.4-74.8167.4000110.7L104 L137 I142 D143 L144 F164L104-L153 HydrophobicContact CB-CD1 3.92Å; L104-L153 HydrophobicContact CD1-CD1 4.22Å; L104-L153 HydrophobicContact CD1-CD2 4.25Å; L104-L153 HydrophobicContact CD1-CG 4.26Å; L137-L153 HydrophobicContact CD1-CD2 3.77Å; I142-L153 HydrophobicContact CG2-CD2 3.7Å; D143-L153 WeakPolarHBondContact O-CA 3.43Å; L144-L153 HydrophobicContact CD1-CD2 3.52Å; L144-L153 HydrophobicContact CD1-CG 3.87Å; L153-F164 HydrophobicContact CD1-CE2 3.62Å; L153-F164 HydrophobicContact CD1-CZ 3.62Å
154S93.9Very high94.6Very high43 Ų4340.6 Ų40.630%0.30122%0.216SC..EExtended strand (participates in β ladder)trans-143.9154.3172.153.30000112.1D143 H145D143-S154 PolarHBondContact N-O 2.85Å; D143-S154 PolarHBondContact O-N 3.48Å; H145-S154 PolarHBondContact CD2-OG 3.23Å; H145-S154 PolarHBondContact NE2-OG 3.43Å; H145-S154 VanDerWaalsContact NE2-OG 3.16Å
155G94Very high94.5Very high37 Ų3740.4 Ų40.438%0.38122%0.215SC..SBendtrans148.9-174-173.100000109.2E157G155-E157 PolarHBondContact O-N 3.05Å
156L95.4Very high94.3Very high74 Ų7436.6 Ų36.639%0.38720%0.198SC..  trans-65.3124.7170.9-68.9173.9000109.1T159 I160 E231 Y341L156-T159 WeakPolarHBondContact O-CA 3.48Å; L156-T159 VanDerWaalsContact O-CB 3.31Å; L156-T159 WeakPolarHBondContact O-CB 3.25Å; L156-T159 PolarHBondContact O-N 3.28Å; L156-I160 PolarHBondContact O-N 3.33Å; L156-I160 VanDerWaalsContact O-N 3.08Å; L156-E231 WeakPolarHBondContact CA-OE1 3.41Å; L156-E231 HydrophobicContact CD2-CB 4.25Å; L156-E231 HydrophobicContact CD2-CG 3.82Å; L156-Y341 HydrophobicContact CD1-CD1 4.4Å
157E96.7Very high94.2Very high10 Ų1034.3 Ų34.35%0.04719%0.186CC..Hα-helixtrans-61.2-39.6-174.8-174.156.6-146.400113G155 T159 I160 R161 R220 H225 I227 E231G155-E157 PolarHBondContact O-N 3.05Å; E157-T159 VanDerWaalsContact C-N 3.26Å; E157-T159 PolarHBondContact O-N 2.88Å; E157-I160 PolarHBondContact O-N 3.29Å; E157-R161 WeakPolarHBondContact O-CG 3.47Å; E157-R161 PolarHBondContact O-N 3.15Å; E157-R161 WeakPolarHBondContact OE1-CG 3.31Å; E157-R161 IonicContact OE1-CZ 3.97Å; E157-R161 IonicContact OE1-NE 3.56Å; E157-R161 PolarHBondContact OE1-NE 2.87Å; E157-R161 IonicContact OE1-NH2 2.96Å; E157-R220 WeakPolarHBondContact OE1-CB 3.25Å; E157-R220 WeakPolarHBondContact OE1-CG 3.3Å; E157-R220 IonicContact OE1-CZ 3.55Å; E157-R220 IonicContact OE1-NE 2.74Å; E157-R220 PolarHBondContact OE1-NE 3.32Å; E157-R220 IonicContact OE1-NH2 2.87Å; E157-R220 IonicContact OE2-CZ 3.53Å; E157-R220 IonicContact OE2-NE 2.62Å; E157-R220 PolarHBondContact OE2-NE 3.28Å; E157-R220 IonicContact OE2-NH2 3.41Å; E157-R220 PolarHBondContact OE2-NH2 2.84Å; E157-H225 WeakPolarHBondContact CG-O 3.38Å; E157-I227 HydrophobicContact CB-CG1 4.11Å; E157-I227 HydrophobicContact CG-CG1 3.92Å; E157-E231 PolarHBondContact N-OE1 3.1Å
158P95.7Very high94.3Very high0 Ų025.8 Ų25.80%015%0.154CC..Hα-helixtrans-56.9-37.4171-24.733.4000113.5R161 L162 I227 E231 L232 F267 Y341P158-R161 PolarHBondContact O-N 2.97Å; P158-L162 WeakPolarHBondContact O-CB 3.47Å; P158-L162 VanDerWaalsContact O-CG 3.25Å; P158-L162 WeakPolarHBondContact O-CG 3.48Å; P158-L162 PolarHBondContact O-N 3.38Å; P158-I227 HydrophobicContact CG-CD1 3.99Å; P158-I227 HydrophobicContact CG-CG1 4.12Å; P158-I227 HydrophobicContact CG-CG2 4.1Å; P158-E231 HydrophobicContact CG-CB 4.12Å; P158-L232 HydrophobicContact CG-CD2 4.46Å; P158-F267 HydrophobicContact CB-CD2 4Å; P158-F267 HydrophobicContact CB-CE2 3.76Å; P158-F267 HydrophobicContact CB-CZ 4.41Å; P158-Y341 HydrophobicContact CB-CD1 3.94Å; P158-Y341 HydrophobicContact CB-CE1 3.43Å; P158-Y341 VanDerWaalsContact CB-CE1 3.43Å; P158-Y341 HydrophobicContact CB-CE2 4.15Å; P158-Y341 HydrophobicContact CB-CG 4.5Å; P158-Y341 HydrophobicContact CG-CE1 3.74Å
159T94.5Very high94.3Very high4 Ų420 Ų203%0.02512%0.12CC..Hα-helixtrans-67.5-44.2178.4-57.60000111.2A140 I142 L156 E157 R161 L162 F163A140-T159 VanDerWaalsContact O-CG2 3.24Å; A140-T159 WeakPolarHBondContact O-CG2 3.45Å; I142-T159 HydrophobicContact CD1-CG2 4.48Å; I142-T159 HydrophobicContact CG1-CG2 4.24Å; L156-T159 WeakPolarHBondContact O-CA 3.48Å; L156-T159 VanDerWaalsContact O-CB 3.31Å; L156-T159 WeakPolarHBondContact O-CB 3.25Å; L156-T159 PolarHBondContact O-N 3.28Å; E157-T159 VanDerWaalsContact C-N 3.26Å; E157-T159 PolarHBondContact O-N 2.88Å; T159-R161 VanDerWaalsContact C-N 3.3Å; T159-R161 PolarHBondContact O-N 2.98Å; T159-L162 PolarHBondContact O-N 3.38Å; T159-F163 WeakPolarHBondContact O-CB 3.09Å; T159-F163 PolarHBondContact O-N 3.44Å
160I95.7Very high94.2Very high2 Ų222.1 Ų22.11%0.0112%0.122CC..Hα-helixtrans-58.2-45.3176-67.5169.4000110.3I142 L156 E157 F163 F164I142-I160 HydrophobicContact CD1-CG1 4.19Å; I142-I160 HydrophobicContact CG1-CG1 4.04Å; I142-I160 HydrophobicContact CG2-CG1 4.18Å; L156-I160 PolarHBondContact O-N 3.33Å; L156-I160 VanDerWaalsContact O-N 3.08Å; E157-I160 PolarHBondContact O-N 3.29Å; I160-F163 WeakPolarHBondContact O-CB 3.25Å; I160-F163 PolarHBondContact O-N 3.3Å; I160-F164 HydrophobicContact CG2-CD2 3.76Å; I160-F164 HydrophobicContact CG2-CE2 3.75Å; I160-F164 VanDerWaalsContact O-CD2 3.3Å; I160-F164 WeakPolarHBondContact O-CD2 3.41Å; I160-F164 PolarHBondContact O-N 2.99Å
161R95.4Very high94.1Very high0 Ų017.4 Ų17.40%010%0.1CC..Hα-helixtrans-67.8-42-179.2-66175.7-175.7-172.313112.9E157 P158 T159 F163 F164 L165 I216 R220 H225 E264 F267E157-R161 WeakPolarHBondContact O-CG 3.47Å; E157-R161 PolarHBondContact O-N 3.15Å; E157-R161 WeakPolarHBondContact OE1-CG 3.31Å; E157-R161 IonicContact OE1-CZ 3.97Å; E157-R161 IonicContact OE1-NE 3.56Å; E157-R161 PolarHBondContact OE1-NE 2.87Å; E157-R161 IonicContact OE1-NH2 2.96Å; P158-R161 PolarHBondContact O-N 2.97Å; T159-R161 VanDerWaalsContact C-N 3.3Å; T159-R161 PolarHBondContact O-N 2.98Å; R161-F163 VanDerWaalsContact C-N 3.33Å; R161-F164 PolarHBondContact O-N 3.45Å; R161-L165 WeakPolarHBondContact O-CB 3.32Å; R161-L165 PolarHBondContact O-N 2.98Å; R161-I216 HydrophobicContact CB-CG2 4.05Å; R161-I216 HydrophobicContact CG-CG2 4.1Å; R161-R220 HydrophobicContact CG-CG 4.12Å; R161-H225 PolarHBondContact NH2-O 2.92Å; R161-E264 IonicContact CZ-OE1 2.9Å; R161-E264 IonicContact CZ-OE2 2.66Å; R161-E264 VanDerWaalsContact CZ-OE2 3.25Å; R161-E264 IonicContact NH1-OE1 2.75Å; R161-E264 IonicContact NH1-OE2 2.94Å; R161-E264 PolarHBondContact NH1-OE2 3Å; R161-E264 VanDerWaalsContact NH2-CD 3.32Å; R161-E264 IonicContact NH2-OE1 2.84Å; R161-E264 PolarHBondContact NH2-OE1 3.02Å; R161-E264 IonicContact NH2-OE2 3.29Å; R161-E264 PolarHBondContact NH2-OE2 2.79Å; R161-E264 VanDerWaalsContact NH2-OE2 3.15Å; R161-F267 HydrophobicContact CB-CE1 4.05Å; R161-F267 HydrophobicContact CB-CZ 4.16Å
162L93.7Very high94Very high0 Ų018.1 Ų18.10%010%0.103CC..Hα-helixtrans-65.6-37175.3-71.4170.8000112.3P158 T159 L165 S166 F267 F271 F337 Y341 Y343 P345P158-L162 WeakPolarHBondContact O-CB 3.47Å; P158-L162 VanDerWaalsContact O-CG 3.25Å; P158-L162 WeakPolarHBondContact O-CG 3.48Å; P158-L162 PolarHBondContact O-N 3.38Å; T159-L162 PolarHBondContact O-N 3.38Å; L162-L165 PolarHBondContact O-N 2.93Å; L162-S166 PolarHBondContact O-N 3.42Å; L162-S166 VanDerWaalsContact O-N 3.15Å; L162-S166 PolarHBondContact O-OG 3.21Å; L162-S166 VanDerWaalsContact O-OG 3.09Å; L162-F267 HydrophobicContact CD1-CE2 4.33Å; L162-F267 HydrophobicContact CD2-CE2 4.34Å; L162-F267 HydrophobicContact CD2-CZ 4.07Å; L162-F267 HydrophobicContact CG-CE2 4.13Å; L162-F267 HydrophobicContact CG-CZ 3.93Å; L162-F271 HydrophobicContact CD2-CD2 4.49Å; L162-F337 HydrophobicContact CD1-CD1 3.67Å; L162-F337 HydrophobicContact CD1-CE1 3.96Å; L162-F337 HydrophobicContact CD2-CE1 4.31Å; L162-Y341 HydrophobicContact CD1-CD2 4Å; L162-Y341 HydrophobicContact CD1-CG 4.34Å; L162-Y343 HydrophobicContact CB-CD1 3.62Å; L162-Y343 HydrophobicContact CB-CE1 4.23Å; L162-Y343 HydrophobicContact CB-CG 4.1Å; L162-Y343 WeakPolarHBondContact O-CE1 3.4Å; L162-P345 HydrophobicContact CD2-CB 4.22Å
163F93.7Very high93.6Very high6 Ų618.3 Ų18.33%0.02611%0.113CC..Hα-helixtrans-59.5-53.6172.3166.7-92.8000110.6M1 L101 F136 L137 A140 I142 T159 I160 R161 L165 S166 F167 Y343M1-F163 HydrophobicContact SD-CE2 4.13Å; L101-F163 HydrophobicContact CD1-CE1 3.93Å; L101-F163 HydrophobicContact CD1-CZ 4.11Å; L101-F163 HydrophobicContact CD2-CE1 4.28Å; L101-F163 HydrophobicContact CD2-CZ 3.82Å; L101-F163 HydrophobicContact CG-CE1 4.39Å; L101-F163 HydrophobicContact CG-CZ 4.4Å; F136-F163 AromaticContact CE1-CE2 3.93Å; F136-F163 HydrophobicContact CE1-CE2 3.93Å; F136-F163 HydrophobicContact CE1-CZ 4.05Å; L137-F163 HydrophobicContact CD2-CD1 4.15Å; L137-F163 HydrophobicContact CD2-CD2 4.34Å; L137-F163 HydrophobicContact CD2-CE1 3.53Å; L137-F163 HydrophobicContact CD2-CE2 3.74Å; L137-F163 HydrophobicContact CD2-CZ 3.28Å; A140-F163 HydrophobicContact CB-CD2 4.12Å; I142-F163 HydrophobicContact CD1-CB 3.44Å; I142-F163 VanDerWaalsContact CD1-CB 3.44Å; I142-F163 HydrophobicContact CD1-CD1 3.98Å; I142-F163 HydrophobicContact CD1-CD2 4.17Å; I142-F163 HydrophobicContact CD1-CG 3.59Å; T159-F163 WeakPolarHBondContact O-CB 3.09Å; T159-F163 PolarHBondContact O-N 3.44Å; I160-F163 WeakPolarHBondContact O-CB 3.25Å; I160-F163 PolarHBondContact O-N 3.3Å; R161-F163 VanDerWaalsContact C-N 3.33Å; F163-L165 VanDerWaalsContact C-N 3.29Å; F163-L165 PolarHBondContact O-N 2.85Å; F163-S166 PolarHBondContact O-N 3.09Å; F163-S166 VanDerWaalsContact O-N 3.13Å; F163-F167 HydrophobicContact CE1-CB 4.37Å; F163-F167 HydrophobicContact CZ-CB 4.46Å; F163-F167 WeakPolarHBondContact O-CB 3.49Å; F163-F167 PolarHBondContact O-N 3.32Å; F163-Y343 HydrophobicContact CB-CE2 4.2Å; F163-Y343 HydrophobicContact CD2-CE2 4.37Å
164F94.9Very high93.1Very high1 Ų118.5 Ų18.50%0.00412%0.117CC..Hα-helixtrans-61.6-39.8179.7-84.2-60.5000112L101 L104 L105 L153 I160 R161 S166 F167 F168 I216L101-F164 HydrophobicContact CD1-CE1 4.38Å; L101-F164 WeakPolarHBondContact O-CE1 3.5Å; L104-F164 HydrophobicContact CB-CZ 4.25Å; L105-F164 HydrophobicContact CB-CD1 4.1Å; L105-F164 HydrophobicContact CB-CE1 3.86Å; L105-F164 HydrophobicContact CB-CE2 4.27Å; L105-F164 HydrophobicContact CB-CG 4.43Å; L105-F164 HydrophobicContact CB-CZ 3.94Å; L105-F164 HydrophobicContact CD1-CD2 3.98Å; L105-F164 HydrophobicContact CD1-CE2 4.1Å; L105-F164 HydrophobicContact CD1-CG 4.38Å; L105-F164 HydrophobicContact CD2-CB 4.24Å; L105-F164 HydrophobicContact CD2-CD1 4.29Å; L105-F164 HydrophobicContact CD2-CG 4.12Å; L153-F164 HydrophobicContact CD1-CE2 3.62Å; L153-F164 HydrophobicContact CD1-CZ 3.62Å; I160-F164 HydrophobicContact CG2-CD2 3.76Å; I160-F164 HydrophobicContact CG2-CE2 3.75Å; I160-F164 VanDerWaalsContact O-CD2 3.3Å; I160-F164 WeakPolarHBondContact O-CD2 3.41Å; I160-F164 PolarHBondContact O-N 2.99Å; R161-F164 PolarHBondContact O-N 3.45Å; F164-S166 VanDerWaalsContact C-N 3.25Å; F164-S166 PolarHBondContact O-N 3.12Å; F164-F167 HydrophobicContact CD1-CD1 4.17Å; F164-F167 PolarHBondContact O-N 2.99Å; F164-F168 HydrophobicContact CB-CD2 4.24Å; F164-F168 HydrophobicContact CB-CE2 4.37Å; F164-F168 HydrophobicContact CD1-CD2 4.28Å; F164-F168 AromaticContact CD1-CE2 3.78Å; F164-F168 HydrophobicContact CD1-CE2 3.78Å; F164-F168 HydrophobicContact CG-CE2 4.42Å; F164-F168 WeakPolarHBondContact O-CB 3.29Å; F164-F168 WeakPolarHBondContact O-CD2 3.48Å; F164-F168 PolarHBondContact O-N 3.38Å; F164-I216 HydrophobicContact CB-CD1 4.16Å; F164-I216 HydrophobicContact CB-CG1 4.49Å; F164-I216 HydrophobicContact CB-CG2 3.99Å
165L93.9Very high92.9Very high0 Ų019.7 Ų19.70%012%0.116CC..Hα-helixtrans-54.3-47.3176.3177.464.7000110.7R161 L162 F163 W169 L213 I216 F271 I346R161-L165 WeakPolarHBondContact O-CB 3.32Å; R161-L165 PolarHBondContact O-N 2.98Å; L162-L165 PolarHBondContact O-N 2.93Å; F163-L165 VanDerWaalsContact C-N 3.29Å; F163-L165 PolarHBondContact O-N 2.85Å; L165-W169 VanDerWaalsContact O-CB 3.27Å; L165-W169 WeakPolarHBondContact O-CB 3.46Å; L165-W169 PolarHBondContact O-N 2.96Å; L165-L213 HydrophobicContact CD1-CB 4.34Å; L165-L213 HydrophobicContact CD2-CD1 4.32Å; L165-I216 VanDerWaalsContact CA-CD1 3.44Å; L165-I216 HydrophobicContact CB-CD1 3.99Å; L165-I216 HydrophobicContact CD1-CD1 4.28Å; L165-F271 HydrophobicContact CD2-CD2 4.24Å; L165-F271 HydrophobicContact CD2-CE2 3.42Å; L165-F271 VanDerWaalsContact CD2-CE2 3.42Å; L165-F271 HydrophobicContact CD2-CZ 3.9Å; L165-I346 HydrophobicContact CD1-CD1 4.15Å; L165-I346 HydrophobicContact CD2-CD1 4.13Å; L165-I346 HydrophobicContact CG-CD1 3.62Å
166S91.3Very high92.5Very high9 Ų920.2 Ų20.26%0.06312%0.121CC..Hα-helixtrans-75.8-31.1-179-56.60000113.7L162 F163 F164 Q170 Y343 I346L162-S166 PolarHBondContact O-N 3.42Å; L162-S166 VanDerWaalsContact O-N 3.15Å; L162-S166 PolarHBondContact O-OG 3.21Å; L162-S166 VanDerWaalsContact O-OG 3.09Å; F163-S166 PolarHBondContact O-N 3.09Å; F163-S166 VanDerWaalsContact O-N 3.13Å; F164-S166 VanDerWaalsContact C-N 3.25Å; F164-S166 PolarHBondContact O-N 3.12Å; S166-Q170 WeakPolarHBondContact O-CG 3.47Å; S166-Q170 PolarHBondContact O-N 3.23Å; S166-Q170 PolarHBondContact O-NE2 2.97Å; S166-Y343 WeakPolarHBondContact CB-OH 3.08Å; S166-Y343 WeakPolarHBondContact OG-CE1 3.41Å; S166-Y343 PolarHBondContact OG-OH 2.86Å; S166-I346 WeakPolarHBondContact OG-CG1 3.42Å
167F93.4Very high92.2Very high2 Ų220.8 Ų20.81%0.00912%0.122CC..Hα-helixtrans-63.1-53.9172.5169.1-102.6000110.6I3 I98 L101 E102 F163 F164 W169 Q170 L171I3-F167 HydrophobicContact CG2-CD2 3.63Å; I3-F167 HydrophobicContact CG2-CE2 4.12Å; I98-F167 HydrophobicContact CD1-CE2 4.33Å; I98-F167 HydrophobicContact CG2-CZ 4.41Å; L101-F167 HydrophobicContact CB-CE2 4.26Å; L101-F167 HydrophobicContact CB-CZ 4Å; L101-F167 HydrophobicContact CD2-CD2 3.6Å; L101-F167 HydrophobicContact CD2-CE2 3.36Å; L101-F167 HydrophobicContact CD2-CG 4.34Å; L101-F167 HydrophobicContact CD2-CZ 3.91Å; L101-F167 HydrophobicContact CG-CD2 4.24Å; L101-F167 HydrophobicContact CG-CE1 4.28Å; L101-F167 HydrophobicContact CG-CE2 3.85Å; L101-F167 HydrophobicContact CG-CZ 3.85Å; E102-F167 HydrophobicContact CB-CE1 3.96Å; E102-F167 HydrophobicContact CB-CZ 4.19Å; F163-F167 HydrophobicContact CE1-CB 4.37Å; F163-F167 HydrophobicContact CZ-CB 4.46Å; F163-F167 WeakPolarHBondContact O-CB 3.49Å; F163-F167 PolarHBondContact O-N 3.32Å; F164-F167 HydrophobicContact CD1-CD1 4.17Å; F164-F167 PolarHBondContact O-N 2.99Å; F167-W169 VanDerWaalsContact C-N 3.26Å; F167-W169 PolarHBondContact O-N 2.84Å; F167-Q170 PolarHBondContact O-N 3.08Å; F167-Q170 VanDerWaalsContact O-N 3.15Å; F167-L171 HydrophobicContact CD1-CD1 4.16Å; F167-L171 HydrophobicContact CD2-CD1 4.41Å; F167-L171 HydrophobicContact CE1-CD1 3.48Å; F167-L171 VanDerWaalsContact CE1-CD1 3.48Å; F167-L171 HydrophobicContact CE2-CD1 3.76Å; F167-L171 HydrophobicContact CE2-CG 4.3Å; F167-L171 HydrophobicContact CZ-CD1 3.26Å; F167-L171 HydrophobicContact CZ-CG 4.27Å; F167-L171 PolarHBondContact O-N 2.82Å
168F94.2Very high92Very high0 Ų021.5 Ų21.50%013%0.127CC..Hα-helixtrans-63.6-32.8176.6-78.6-72.6000111.9E102 L105 L106 F164 L171 Y172 P178 F179 Y212 I216E102-F168 HydrophobicContact CG-CE1 3.73Å; E102-F168 HydrophobicContact CG-CZ 3.88Å; L105-F168 HydrophobicContact CB-CE2 4.25Å; L105-F168 HydrophobicContact CB-CZ 4.49Å; L105-F168 HydrophobicContact CD2-CD2 4.22Å; L105-F168 HydrophobicContact CD2-CE2 3.43Å; L105-F168 VanDerWaalsContact CD2-CE2 3.43Å; L105-F168 HydrophobicContact CD2-CZ 4.12Å; L105-F168 HydrophobicContact CG-CE2 4.46Å; L106-F168 HydrophobicContact CD1-CE1 4.05Å; L106-F168 HydrophobicContact CD1-CZ 4.08Å; L106-F168 HydrophobicContact CD2-CZ 4.06Å; L106-F168 HydrophobicContact CG-CE1 4.4Å; L106-F168 HydrophobicContact CG-CZ 3.94Å; F164-F168 HydrophobicContact CB-CD2 4.24Å; F164-F168 HydrophobicContact CB-CE2 4.37Å; F164-F168 HydrophobicContact CD1-CD2 4.28Å; F164-F168 AromaticContact CD1-CE2 3.78Å; F164-F168 HydrophobicContact CD1-CE2 3.78Å; F164-F168 HydrophobicContact CG-CE2 4.42Å; F164-F168 WeakPolarHBondContact O-CB 3.29Å; F164-F168 WeakPolarHBondContact O-CD2 3.48Å; F164-F168 PolarHBondContact O-N 3.38Å; F168-L171 PolarHBondContact O-N 3.24Å; F168-Y172 AromaticContact CD1-CD2 3.89Å; F168-Y172 HydrophobicContact CD1-CD2 3.89Å; F168-Y172 AromaticContact CD1-CE2 3.75Å; F168-Y172 HydrophobicContact CD1-CE2 3.75Å; F168-Y172 HydrophobicContact CE1-CE2 4.19Å; F168-Y172 VanDerWaalsContact O-CB 3.31Å; F168-Y172 WeakPolarHBondContact O-CB 3.1Å; F168-Y172 WeakPolarHBondContact O-CD2 3.24Å; F168-Y172 PolarHBondContact O-N 3.02Å; F168-P178 HydrophobicContact CD1-CB 4.38Å; F168-P178 HydrophobicContact CD1-CG 3.6Å; F168-P178 HydrophobicContact CE1-CB 4.23Å; F168-P178 HydrophobicContact CE1-CG 3.88Å; F168-F179 HydrophobicContact CB-CZ 4.09Å; F168-F179 HydrophobicContact CD1-CE1 4.22Å; F168-F179 HydrophobicContact CD1-CZ 4.12Å; F168-F179 AromaticContact CD2-CE1 3.81Å; F168-F179 HydrophobicContact CD2-CE1 3.81Å; F168-F179 AromaticContact CD2-CZ 3.92Å; F168-F179 HydrophobicContact CD2-CZ 3.92Å; F168-F179 HydrophobicContact CE1-CE1 4.25Å; F168-F179 AromaticContact CE2-CE1 3.91Å; F168-F179 HydrophobicContact CE2-CE1 3.91Å; F168-F179 HydrophobicContact CE2-CZ 4.46Å; F168-F179 HydrophobicContact CG-CE1 4.01Å; F168-F179 AromaticContact CG-CZ 3.77Å; F168-F179 HydrophobicContact CG-CZ 3.77Å; F168-F179 HydrophobicContact CZ-CE1 4.11Å; F168-Y212 HydrophobicContact CB-CD2 4.04Å; F168-Y212 HydrophobicContact CB-CE2 3.99Å; F168-I216 HydrophobicContact CD2-CD1 4.27Å
169W91.8Very high91.8Very high47 Ų4722 Ų2218%0.17813%0.129CC..Hα-helixtrans-69.3-37.2173.7-167.9-95.7000113.6L165 F167 G173 I205 I208 Q209 I346L165-W169 VanDerWaalsContact O-CB 3.27Å; L165-W169 WeakPolarHBondContact O-CB 3.46Å; L165-W169 PolarHBondContact O-N 2.96Å; F167-W169 VanDerWaalsContact C-N 3.26Å; F167-W169 PolarHBondContact O-N 2.84Å; W169-G173 WeakPolarHBondContact O-CA 3.31Å; W169-G173 PolarHBondContact O-N 2.99Å; W169-I205 HydrophobicContact CH2-CG2 3.7Å; W169-I205 HydrophobicContact CZ2-CG2 3.77Å; W169-I208 HydrophobicContact CZ3-CB 4.49Å; W169-I208 HydrophobicContact CZ3-CG2 4.14Å; W169-Q209 HydrophobicContact CD2-CG 4.15Å; W169-Q209 HydrophobicContact CE3-CG 3.59Å; W169-Q209 HydrophobicContact CH2-CG 3.54Å; W169-Q209 HydrophobicContact CZ2-CG 4.08Å; W169-Q209 VanDerWaalsContact CZ2-NE2 3.27Å; W169-Q209 HydrophobicContact CZ3-CB 4.39Å; W169-Q209 HydrophobicContact CZ3-CG 3.26Å; W169-I346 HydrophobicContact CB-CD1 3.24Å; W169-I346 HydrophobicContact CB-CG1 4.01Å; W169-I346 VanDerWaalsContact CD1-CG2 3.45Å; W169-I346 HydrophobicContact CD2-CD1 3.94Å; W169-I346 HydrophobicContact CD2-CG2 4.41Å; W169-I346 HydrophobicContact CE3-CD1 4.39Å; W169-I346 HydrophobicContact CG-CD1 3.43Å; W169-I346 VanDerWaalsContact CG-CD1 3.43Å; W169-I346 HydrophobicContact CG-CG1 4.09Å; W169-I346 HydrophobicContact CG-CG2 3.95Å
170Q90.9Very high91.3Very high72 Ų7229.2 Ų29.234%0.33617%0.168SC..Hα-helixtrans-65.3-43.8173.1-76.5175.273.900111.1M1 I3 S166 F167M1-Q170 PolarHBondContact O-NE2 3.27Å; M1-Q170 PolarHBondContact O-OE1 3.03Å; I3-Q170 HydrophobicContact CD1-CB 3.79Å; I3-Q170 HydrophobicContact CG1-CB 4.12Å; I3-Q170 HydrophobicContact CG2-CB 4.25Å; S166-Q170 WeakPolarHBondContact O-CG 3.47Å; S166-Q170 PolarHBondContact O-N 3.23Å; S166-Q170 PolarHBondContact O-NE2 2.97Å; F167-Q170 PolarHBondContact O-N 3.08Å; F167-Q170 VanDerWaalsContact O-N 3.15Å
171L92.4Very high90.6Very high0 Ų030.5 Ų30.50%017%0.174CC..Hα-helixtrans-67.5-47.2179-77.5177.8000113.1I3 K85 L89 Y92 I98 F167 F168I3-L171 HydrophobicContact CD1-CD2 3.52Å; I3-L171 HydrophobicContact CD1-CG 3.83Å; K85-L171 WeakPolarHBondContact CE-O 3.23Å; K85-L171 PolarHBondContact NZ-O 3.24Å; L89-L171 WeakPolarHBondContact CD2-O 3.47Å; Y92-L171 HydrophobicContact CD1-CD2 3.85Å; Y92-L171 HydrophobicContact CD2-CD2 3.77Å; Y92-L171 HydrophobicContact CE1-CD2 4.4Å; Y92-L171 HydrophobicContact CE2-CD2 4.31Å; Y92-L171 HydrophobicContact CG-CD2 3.57Å; I98-L171 HydrophobicContact CG2-CD1 4.09Å; I98-L171 HydrophobicContact CG2-CD2 3.81Å; F167-L171 HydrophobicContact CD1-CD1 4.16Å; F167-L171 HydrophobicContact CD2-CD1 4.41Å; F167-L171 HydrophobicContact CE1-CD1 3.48Å; F167-L171 VanDerWaalsContact CE1-CD1 3.48Å; F167-L171 HydrophobicContact CE2-CD1 3.76Å; F167-L171 HydrophobicContact CE2-CG 4.3Å; F167-L171 HydrophobicContact CZ-CD1 3.26Å; F167-L171 HydrophobicContact CZ-CG 4.27Å; F167-L171 PolarHBondContact O-N 2.82Å; F168-L171 PolarHBondContact O-N 3.24Å
172Y92.4Very high89.6Confident23 Ų2338.7 Ų38.79%0.0921%0.213CC..Hα-helixtrans-106.2-27.9-169.8-68.6-87.5000113.3K85 L89 E102 F168 G174 Y175 P178 Y212K85-Y172 VanDerWaalsContact CE-C 3.49Å; K85-Y172 WeakPolarHBondContact CE-O 3.35Å; L89-Y172 HydrophobicContact CD1-CD1 3.91Å; L89-Y172 HydrophobicContact CD1-CE1 3.84Å; L89-Y172 HydrophobicContact CD2-CD1 3.95Å; L89-Y172 HydrophobicContact CD2-CE1 3.82Å; L89-Y172 HydrophobicContact CD2-CG 4.38Å; E102-Y172 PolarHBondContact OE1-OH 2.7Å; F168-Y172 AromaticContact CD1-CD2 3.89Å; F168-Y172 HydrophobicContact CD1-CD2 3.89Å; F168-Y172 AromaticContact CD1-CE2 3.75Å; F168-Y172 HydrophobicContact CD1-CE2 3.75Å; F168-Y172 HydrophobicContact CE1-CE2 4.19Å; F168-Y172 VanDerWaalsContact O-CB 3.31Å; F168-Y172 WeakPolarHBondContact O-CB 3.1Å; F168-Y172 WeakPolarHBondContact O-CD2 3.24Å; F168-Y172 PolarHBondContact O-N 3.02Å; Y172-G174 PolarHBondContact O-N 3.41Å; Y172-G174 VanDerWaalsContact O-N 3.1Å; Y172-Y175 WeakPolarHBondContact CB-O 3.33Å; Y172-Y175 VanDerWaalsContact CD1-O 3.29Å; Y172-Y175 WeakPolarHBondContact CD1-O 3.27Å; Y172-Y175 WeakPolarHBondContact O-CA 3.45Å; Y172-Y175 WeakPolarHBondContact O-CB 3.46Å; Y172-Y175 PolarHBondContact O-N 3.36Å; Y172-P178 HydrophobicContact CD2-CB 4.49Å; Y172-P178 HydrophobicContact CD2-CG 3.92Å; Y172-P178 HydrophobicContact CE1-CB 4.13Å; Y172-P178 HydrophobicContact CE1-CG 4.39Å; Y172-P178 HydrophobicContact CE2-CB 3.88Å; Y172-P178 HydrophobicContact CE2-CG 3.76Å; Y172-P178 HydrophobicContact CG-CG 4.32Å; Y172-Y212 WeakPolarHBondContact CB-OH 3.46Å
173G86.4Confident88.6Confident43 Ų4344.6 Ų44.644%0.44324%0.244SC..THydrogen-bonded Turntrans56.626.2-179.500000113.9W169 Y175W169-G173 WeakPolarHBondContact O-CA 3.31Å; W169-G173 PolarHBondContact O-N 2.99Å; G173-Y175 VanDerWaalsContact C-N 3.31Å
174G85.4Confident87.7Confident16 Ų1645.1 Ų45.117%0.16525%0.249CC..THydrogen-bonded Turntrans80.21.9-17200000115.5Y172Y172-G174 PolarHBondContact O-N 3.41Å; Y172-G174 VanDerWaalsContact O-N 3.1Å
175Y89.3Confident86.8Confident68 Ų6850.1 Ų50.127%0.26728%0.279SS..SBendtrans-77.6120.3169.1178.7-96.5000110.3V82 K85 E86 L89 Y172 G173V82-Y175 HydrophobicContact CB-CE2 4.46Å; V82-Y175 HydrophobicContact CG1-CE2 4.01Å; V82-Y175 HydrophobicContact CG2-CE2 4.27Å; K85-Y175 HydrophobicContact CB-CD1 4.3Å; K85-Y175 HydrophobicContact CB-CG 4.25Å; K85-Y175 HydrophobicContact CG-CD1 3.53Å; K85-Y175 HydrophobicContact CG-CD2 4.27Å; K85-Y175 HydrophobicContact CG-CE1 4.23Å; K85-Y175 HydrophobicContact CG-CG 3.55Å; E86-Y175 HydrophobicContact CG-CE1 4.03Å; E86-Y175 WeakPolarHBondContact CG-OH 3.46Å; E86-Y175 WeakPolarHBondContact OE1-CE1 3.41Å; E86-Y175 PolarHBondContact OE1-OH 2.91Å; L89-Y175 HydrophobicContact CD1-CD1 3.99Å; L89-Y175 HydrophobicContact CD1-CE1 4.22Å; Y172-Y175 WeakPolarHBondContact CB-O 3.33Å; Y172-Y175 VanDerWaalsContact CD1-O 3.29Å; Y172-Y175 WeakPolarHBondContact CD1-O 3.27Å; Y172-Y175 WeakPolarHBondContact O-CA 3.45Å; Y172-Y175 WeakPolarHBondContact O-CB 3.46Å; Y172-Y175 PolarHBondContact O-N 3.36Å; G173-Y175 VanDerWaalsContact C-N 3.31Å
176G85.9Confident86.2Confident48 Ų4851.6 Ų51.650%0.49529%0.286SS..SBendtrans74.4-172.2-178.400000113.3Y212G176-Y212 PolarHBondContact O-OH 2.94Å; G176-Y212 VanDerWaalsContact O-OH 3.1Å
177H88.9Confident85.8Confident86 Ų8652.3 Ų52.340%0.39829%0.288SS..  trans-14993.2-178.4-168.387.9000108.8F179 Y212 D215H177-F179 PolarHBondContact CD2-O 3.28Å; H177-F179 AromaticContact CE1-CD2 3.77Å; H177-F179 AromaticContact NE2-CD2 3.74Å; H177-F179 PolarHBondContact O-N 3.3Å; H177-Y212 AromaticContact ND1-CE1 3.93Å; H177-D215 IonicContact CE1-OD2 2.74Å; H177-D215 PolarHBondContact CE1-OD2 3.3Å; H177-D215 IonicContact NE2-OD2 3.19Å; H177-D215 PolarHBondContact NE2-OD2 2.87Å
178P92.1Very high85Confident24 Ų2456 Ų5616%0.15631%0.308CS..  trans-76.4-1.2-169.731.4-36.1000113.7L106 F168 Y172 Y212L106-P178 HydrophobicContact CD1-CB 4.31Å; L106-P178 WeakPolarHBondContact CD1-O 3.47Å; F168-P178 HydrophobicContact CD1-CB 4.38Å; F168-P178 HydrophobicContact CD1-CG 3.6Å; F168-P178 HydrophobicContact CE1-CB 4.23Å; F168-P178 HydrophobicContact CE1-CG 3.88Å; Y172-P178 HydrophobicContact CD2-CB 4.49Å; Y172-P178 HydrophobicContact CD2-CG 3.92Å; Y172-P178 HydrophobicContact CE1-CB 4.13Å; Y172-P178 HydrophobicContact CE1-CG 4.39Å; Y172-P178 HydrophobicContact CE2-CB 3.88Å; Y172-P178 HydrophobicContact CE2-CG 3.76Å; Y172-P178 HydrophobicContact CG-CG 4.32Å; P178-Y212 WeakPolarHBondContact CD-OH 3.16Å
179F92.3Very high84.2Confident11 Ų1156.6 Ų56.65%0.04831%0.311CS..  trans-90.6119-176.8-45.9-72.7000110.7L105 L106 F168 H177 I181 Y212 D215 I216 I219L105-F179 HydrophobicContact CD2-CD1 4.5Å; L105-F179 HydrophobicContact CD2-CE1 4.05Å; L106-F179 HydrophobicContact CD2-CD1 3.73Å; L106-F179 HydrophobicContact CD2-CE1 4.25Å; F168-F179 HydrophobicContact CB-CZ 4.09Å; F168-F179 HydrophobicContact CD1-CE1 4.22Å; F168-F179 HydrophobicContact CD1-CZ 4.12Å; F168-F179 AromaticContact CD2-CE1 3.81Å; F168-F179 HydrophobicContact CD2-CE1 3.81Å; F168-F179 AromaticContact CD2-CZ 3.92Å; F168-F179 HydrophobicContact CD2-CZ 3.92Å; F168-F179 HydrophobicContact CE1-CE1 4.25Å; F168-F179 AromaticContact CE2-CE1 3.91Å; F168-F179 HydrophobicContact CE2-CE1 3.91Å; F168-F179 HydrophobicContact CE2-CZ 4.46Å; F168-F179 HydrophobicContact CG-CE1 4.01Å; F168-F179 AromaticContact CG-CZ 3.77Å; F168-F179 HydrophobicContact CG-CZ 3.77Å; F168-F179 HydrophobicContact CZ-CE1 4.11Å; H177-F179 PolarHBondContact CD2-O 3.28Å; H177-F179 AromaticContact CE1-CD2 3.77Å; H177-F179 AromaticContact NE2-CD2 3.74Å; H177-F179 PolarHBondContact O-N 3.3Å; F179-I181 PolarHBondContact O-N 3.48Å; F179-Y212 HydrophobicContact CD2-CD1 4.31Å; F179-Y212 AromaticContact CE2-CD1 3.57Å; F179-Y212 HydrophobicContact CE2-CD1 3.57Å; F179-Y212 AromaticContact CE2-CD2 3.83Å; F179-Y212 HydrophobicContact CE2-CD2 3.83Å; F179-Y212 AromaticContact CE2-CE1 3.87Å; F179-Y212 HydrophobicContact CE2-CE1 3.87Å; F179-Y212 HydrophobicContact CE2-CE2 4.12Å; F179-Y212 AromaticContact CE2-CG 3.52Å; F179-Y212 HydrophobicContact CE2-CG 3.52Å; F179-Y212 HydrophobicContact CZ-CD2 4.05Å; F179-Y212 HydrophobicContact CZ-CE2 4.42Å; F179-Y212 HydrophobicContact CZ-CG 4.08Å; F179-D215 HydrophobicContact CB-CB 3.73Å; F179-D215 HydrophobicContact CD1-CB 4.35Å; F179-D215 HydrophobicContact CD2-CB 3.87Å; F179-D215 HydrophobicContact CG-CB 3.7Å; F179-I216 HydrophobicContact CD1-CG1 4.42Å; F179-I216 HydrophobicContact CE1-CD1 4.24Å; F179-I216 HydrophobicContact CE1-CG1 3.61Å; F179-I216 HydrophobicContact CZ-CD1 4Å; F179-I216 HydrophobicContact CZ-CG1 3.81Å; F179-I219 HydrophobicContact CB-CD1 4.3Å; F179-I219 HydrophobicContact CD1-CD1 3.83Å; F179-I219 HydrophobicContact CG-CD1 4.48Å
180N83.7Confident83.7Confident156 Ų15654.4 Ų54.483%0.83430%0.302SS*.  trans-94.973.1170.6-17016.8000110.1
181I81.4Confident83Confident28 Ų2853.9 Ų53.914%0.14430%0.299CS..  trans-100.1123.4172.4-105.4-172.2000109.8F179 K187 D215 L218 I219F179-I181 PolarHBondContact O-N 3.48Å; I181-K187 HydrophobicContact CG2-CD 3.63Å; I181-D215 WeakPolarHBondContact CG2-OD1 3.34Å; I181-L218 HydrophobicContact CD1-CB 3.31Å; I181-L218 HydrophobicContact CD1-CD1 4.27Å; I181-L218 HydrophobicContact CD1-CG 4.45Å; I181-I219 HydrophobicContact CD1-CB 4.44Å; I181-I219 HydrophobicContact CD1-CD1 4.49Å; I181-I219 HydrophobicContact CD1-CG1 3.54Å; I181-I219 HydrophobicContact CG1-CG1 3.8Å
182E73.3Confident82.2Confident173 Ų17359.7 Ų59.781%0.80833%0.326SS*.  trans-67.9148.9167.5-66.5-177.8-17800109.7S184E182-S184 PolarHBondContact O-N 2.7Å
183N73.9Confident81.4Confident123 Ų12360.5 Ų60.566%0.65833%0.33SS*.  trans-58.4105176.3-92.4-10000110.6
184S74.7Confident80.8Confident18 Ų1858.4 Ų58.413%0.12631%0.309CS..  trans-88.6161.317369.30000111.5E182 E186 K187 N188E182-S184 PolarHBondContact O-N 2.7Å; S184-E186 PolarHBondContact O-N 3.49Å; S184-K187 PolarHBondContact O-N 2.98Å; S184-K187 WeakPolarHBondContact OG-CB 3.4Å; S184-K187 PolarHBondContact OG-N 3.39Å; S184-N188 PolarHBondContact O-N 2.96Å; S184-N188 PolarHBondContact O-ND2 3.16Å
185T76.2Confident80.1Confident105 Ų10560.6 Ų60.664%0.64432%0.322SS*.Hα-helixtrans-54.4-40.5170.521.50000111.9F189T185-F189 VanDerWaalsContact O-CB 3.31Å; T185-F189 WeakPolarHBondContact O-CB 2.98Å; T185-F189 PolarHBondContact O-N 2.91Å
186E81Confident79.2Confident31 Ų3161 Ų6115%0.14533%0.325CS..Hα-helixtrans-68-44.7178.9-65.773.3-168.500111.1S184 N188 F189 I190 L218 Y221 F261S184-E186 PolarHBondContact O-N 3.49Å; E186-N188 PolarHBondContact O-N 3.16Å; E186-F189 WeakPolarHBondContact O-CB 3.32Å; E186-F189 PolarHBondContact O-N 2.95Å; E186-I190 WeakPolarHBondContact O-CD1 3.43Å; E186-I190 VanDerWaalsContact O-CG1 3.22Å; E186-I190 WeakPolarHBondContact O-CG1 3.25Å; E186-I190 PolarHBondContact O-N 3.38Å; E186-L218 HydrophobicContact CB-CD2 3.63Å; E186-Y221 HydrophobicContact CG-CE1 4.43Å; E186-F261 HydrophobicContact CB-CD2 4.35Å; E186-F261 HydrophobicContact CB-CE2 4.32Å; E186-F261 HydrophobicContact CG-CD2 3.98Å; E186-F261 HydrophobicContact CG-CE2 4.39Å; E186-F261 HydrophobicContact CG-CG 4.25Å
187K81.3Confident78.3Confident24 Ų2459.9 Ų59.910%0.10431%0.308CS..Hα-helixtrans-59.3-48.9176.2-168.2165-177.7166.40110.6I181 S184 F189 I190 F191 V214 D215 L218I181-K187 HydrophobicContact CG2-CD 3.63Å; S184-K187 PolarHBondContact O-N 2.98Å; S184-K187 WeakPolarHBondContact OG-CB 3.4Å; S184-K187 PolarHBondContact OG-N 3.39Å; K187-F189 VanDerWaalsContact C-N 3.33Å; K187-F189 PolarHBondContact O-N 3.16Å; K187-I190 PolarHBondContact O-N 3.32Å; K187-F191 HydrophobicContact CD-CE2 4.26Å; K187-F191 HydrophobicContact CG-CD2 3.74Å; K187-F191 HydrophobicContact CG-CE2 3.65Å; K187-F191 VanDerWaalsContact O-CD2 3.25Å; K187-F191 WeakPolarHBondContact O-CD2 3.45Å; K187-F191 PolarHBondContact O-N 3.06Å; K187-V214 HydrophobicContact CG-CG1 4.46Å; K187-D215 WeakPolarHBondContact CE-OD1 3.38Å; K187-D215 IonicContact NZ-OD1 3.69Å; K187-D215 PolarHBondContact NZ-OD1 3.16Å; K187-D215 IonicContact NZ-OD2 2.81Å; K187-D215 PolarHBondContact NZ-OD2 2.85Å; K187-L218 HydrophobicContact CB-CD1 3.58Å; K187-L218 HydrophobicContact CD-CD1 4.07Å; K187-L218 HydrophobicContact CG-CD1 3.88Å
188N77.8Confident77.1Confident79 Ų7956.6 Ų56.642%0.42229%0.293SS..Hα-helixtrans-61.3-42.4177.8-68.3-28.8000111.5S184 E186 F191 E192S184-N188 PolarHBondContact O-N 2.96Å; S184-N188 PolarHBondContact O-ND2 3.16Å; E186-N188 PolarHBondContact O-N 3.16Å; N188-F191 PolarHBondContact O-N 3.29Å; N188-E192 VanDerWaalsContact O-CB 3.25Å; N188-E192 WeakPolarHBondContact O-CB 3.32Å; N188-E192 PolarHBondContact O-N 2.76Å
189F77.5Confident75.8Confident14 Ų1458.2 Ų58.26%0.06131%0.305CS..Hα-helixtrans-59.5-47.8175.5169.1-97.6000112.1T185 E186 K187 E192 K193 N254 Y258 L265T185-F189 VanDerWaalsContact O-CB 3.31Å; T185-F189 WeakPolarHBondContact O-CB 2.98Å; T185-F189 PolarHBondContact O-N 2.91Å; E186-F189 WeakPolarHBondContact O-CB 3.32Å; E186-F189 PolarHBondContact O-N 2.95Å; K187-F189 VanDerWaalsContact C-N 3.33Å; K187-F189 PolarHBondContact O-N 3.16Å; F189-E192 PolarHBondContact O-N 3.46Å; F189-K193 HydrophobicContact CD2-CG 3.89Å; F189-K193 HydrophobicContact CE2-CG 3.66Å; F189-K193 HydrophobicContact CZ-CG 4.15Å; F189-K193 WeakPolarHBondContact O-CB 3.15Å; F189-K193 WeakPolarHBondContact O-CG 3.41Å; F189-K193 PolarHBondContact O-N 3.29Å; F189-N254 HydrophobicContact CD2-CB 4.3Å; F189-N254 HydrophobicContact CE2-CB 4.38Å; F189-N254 WeakPolarHBondContact CE2-ND2 3.24Å; F189-Y258 HydrophobicContact CZ-CD2 4.4Å; F189-L265 HydrophobicContact CE1-CD2 4.41Å
190I80Confident74.2Confident0 Ų065.9 Ų65.90%035%0.346CS..Hα-helixtrans-58.1-52.8178-69.5161.8000110.3E186 K187 K193 L194 Y210 V214 L218 F261 M268E186-I190 WeakPolarHBondContact O-CD1 3.43Å; E186-I190 VanDerWaalsContact O-CG1 3.22Å; E186-I190 WeakPolarHBondContact O-CG1 3.25Å; E186-I190 PolarHBondContact O-N 3.38Å; K187-I190 PolarHBondContact O-N 3.32Å; I190-K193 PolarHBondContact O-N 3.29Å; I190-L194 HydrophobicContact CG2-CD1 4.24Å; I190-L194 VanDerWaalsContact O-CB 3.31Å; I190-L194 WeakPolarHBondContact O-CB 3.14Å; I190-L194 PolarHBondContact O-N 3.09Å; I190-Y210 HydrophobicContact CG2-CE1 4.33Å; I190-Y210 WeakPolarHBondContact CG2-OH 3.43Å; I190-V214 HydrophobicContact CD1-CG1 4.07Å; I190-V214 HydrophobicContact CG2-CG1 4.45Å; I190-V214 HydrophobicContact CG2-CG2 3.95Å; I190-L218 HydrophobicContact CD1-CD2 4.33Å; I190-F261 HydrophobicContact CD1-CE1 3.47Å; I190-F261 VanDerWaalsContact CD1-CE1 3.47Å; I190-F261 HydrophobicContact CD1-CZ 3.62Å; I190-F261 HydrophobicContact CG1-CE1 3.79Å; I190-F261 HydrophobicContact CG1-CZ 4.43Å; I190-M268 HydrophobicContact CD1-CE 3.6Å; I190-M268 HydrophobicContact CD1-SD 4.17Å; I190-M268 HydrophobicContact CG1-CE 3.94Å
191F77.2Confident73.5Confident62 Ų6263.7 Ų63.727%0.27233%0.331SS..Hα-helixtrans-65.8-42.6-178-80.7-68.8000112K187 N188 K193 S195 D211 V214K187-F191 HydrophobicContact CD-CE2 4.26Å; K187-F191 HydrophobicContact CG-CD2 3.74Å; K187-F191 HydrophobicContact CG-CE2 3.65Å; K187-F191 VanDerWaalsContact O-CD2 3.25Å; K187-F191 WeakPolarHBondContact O-CD2 3.45Å; K187-F191 PolarHBondContact O-N 3.06Å; N188-F191 PolarHBondContact O-N 3.29Å; F191-K193 PolarHBondContact O-N 3.33Å; F191-S195 VanDerWaalsContact O-CA 3.32Å; F191-S195 WeakPolarHBondContact O-CA 3.32Å; F191-S195 WeakPolarHBondContact O-CB 3.02Å; F191-S195 PolarHBondContact O-N 3.18Å; F191-S195 PolarHBondContact O-OG 3.03Å; F191-D211 WeakPolarHBondContact CE1-OD1 3.47Å; F191-D211 WeakPolarHBondContact CZ-OD1 3.23Å; F191-V214 HydrophobicContact CE2-CG1 4.21Å
192E75.3Confident73.1Confident122 Ų12263.5 Ų63.557%0.5733%0.33SS*.Hα-helixtrans-59.4-49.8177.4-170.1-159.4137.300110.8N188 F189 S195N188-E192 VanDerWaalsContact O-CB 3.25Å; N188-E192 WeakPolarHBondContact O-CB 3.32Å; N188-E192 PolarHBondContact O-N 2.76Å; F189-E192 PolarHBondContact O-N 3.46Å; E192-S195 PolarHBondContact O-OG 2.8Å
193K74.6Confident73.1Confident39 Ų3958.1 Ų58.117%0.1731%0.306CS..Hα-helixtrans-81.7-31-171.7-62.9-49.5-175.2-158.60114.1F189 I190 F191 F196 F249F189-K193 HydrophobicContact CD2-CG 3.89Å; F189-K193 HydrophobicContact CE2-CG 3.66Å; F189-K193 HydrophobicContact CZ-CG 4.15Å; F189-K193 WeakPolarHBondContact O-CB 3.15Å; F189-K193 WeakPolarHBondContact O-CG 3.41Å; F189-K193 PolarHBondContact O-N 3.29Å; I190-K193 PolarHBondContact O-N 3.29Å; F191-K193 PolarHBondContact O-N 3.33Å; K193-F196 WeakPolarHBondContact O-CD1 3.31Å; K193-F196 VanDerWaalsContact O-CE1 3.3Å; K193-F196 WeakPolarHBondContact O-CE1 3.35Å; K193-F249 HydrophobicContact CB-CD1 4.06Å; K193-F249 HydrophobicContact CB-CD2 4.11Å; K193-F249 HydrophobicContact CB-CE1 3.77Å; K193-F249 HydrophobicContact CB-CE2 3.84Å; K193-F249 HydrophobicContact CB-CG 4.19Å; K193-F249 HydrophobicContact CB-CZ 3.65Å; K193-F249 HydrophobicContact CD-CD1 4.36Å; K193-F249 HydrophobicContact CG-CD1 4.4Å; K193-F249 HydrophobicContact CG-CG 4.4Å; K193-F249 VanDerWaalsContact O-CE1 3.27Å; K193-F249 WeakPolarHBondContact O-CE1 3.18Å; K193-F249 WeakPolarHBondContact O-CZ 3.24Å
194L75.6Confident73.4Confident0 Ų057 Ų570%031%0.306CS..Hα-helixtrans-97.9-6.3178.1-62.4175.9000113.1I190 F196 L197 L198 Y210 F243 F249 L265 L269I190-L194 HydrophobicContact CG2-CD1 4.24Å; I190-L194 VanDerWaalsContact O-CB 3.31Å; I190-L194 WeakPolarHBondContact O-CB 3.14Å; I190-L194 PolarHBondContact O-N 3.09Å; L194-F196 PolarHBondContact O-N 2.84Å; L194-L197 HydrophobicContact CD2-CD1 3.66Å; L194-L197 HydrophobicContact CD2-CG 4.44Å; L194-L197 WeakPolarHBondContact O-CB 3.25Å; L194-L197 PolarHBondContact O-N 3.32Å; L194-L198 WeakPolarHBondContact O-CG 3.3Å; L194-L198 PolarHBondContact O-N 2.88Å; L194-Y210 WeakPolarHBondContact CD1-OH 3.39Å; L194-F243 HydrophobicContact CD2-CE1 3.74Å; L194-F243 HydrophobicContact CD2-CZ 4.08Å; L194-F249 HydrophobicContact CD2-CE2 3.74Å; L194-F249 HydrophobicContact CD2-CZ 3.63Å; L194-F249 HydrophobicContact CG-CE2 4.31Å; L194-F249 HydrophobicContact CG-CZ 4.31Å; L194-L265 HydrophobicContact CD1-CD1 3.68Å; L194-L265 HydrophobicContact CG-CD1 4.37Å; L194-L269 HydrophobicContact CD2-CD2 3.76Å
195S70.7Confident73.8Confident62 Ų6260.8 Ų60.843%0.43432%0.324SS..THydrogen-bonded Turntrans-50.2-34176.454.60000113.7F191 E192 L198 S199F191-S195 VanDerWaalsContact O-CA 3.32Å; F191-S195 WeakPolarHBondContact O-CA 3.32Å; F191-S195 WeakPolarHBondContact O-CB 3.02Å; F191-S195 PolarHBondContact O-N 3.18Å; F191-S195 PolarHBondContact O-OG 3.03Å; E192-S195 PolarHBondContact O-OG 2.8Å; S195-L198 CarbonylContact O-C 3.48Å; S195-L198 WeakPolarHBondContact O-CA 3.23Å; S195-L198 PolarHBondContact O-N 3Å; S195-L198 VanDerWaalsContact O-N 3.09Å; S195-S199 WeakPolarHBondContact O-CA 3.41Å; S195-S199 PolarHBondContact O-N 2.89Å
196F69.9Low74Confident77 Ų7756 Ų5634%0.33829%0.294SS..THydrogen-bonded Turntrans-69.1-32.8178.784.8-88.7000112.7K193 L194 S199 F243 F247 F249K193-F196 WeakPolarHBondContact O-CD1 3.31Å; K193-F196 VanDerWaalsContact O-CE1 3.3Å; K193-F196 WeakPolarHBondContact O-CE1 3.35Å; L194-F196 PolarHBondContact O-N 2.84Å; F196-S199 PolarHBondContact O-OG 2.83Å; F196-F243 HydrophobicContact CE1-CZ 4.12Å; F196-F243 HydrophobicContact CZ-CE1 4.45Å; F196-F243 HydrophobicContact CZ-CE2 4.33Å; F196-F243 AromaticContact CZ-CZ 3.63Å; F196-F243 HydrophobicContact CZ-CZ 3.63Å; F196-F247 HydrophobicContact CD2-CE1 4.16Å; F196-F247 AromaticContact CE1-CD1 3.78Å; F196-F247 HydrophobicContact CE1-CD1 3.78Å; F196-F247 HydrophobicContact CE1-CD2 4.29Å; F196-F247 HydrophobicContact CE1-CE1 4.01Å; F196-F247 AromaticContact CE1-CG 3.94Å; F196-F247 HydrophobicContact CE1-CG 3.94Å; F196-F247 HydrophobicContact CE1-CZ 4.37Å; F196-F247 AromaticContact CE2-CD1 3.93Å; F196-F247 HydrophobicContact CE2-CD1 3.93Å; F196-F247 AromaticContact CE2-CE1 3.28Å; F196-F247 HydrophobicContact CE2-CE1 3.28Å; F196-F247 HydrophobicContact CE2-CE2 4.16Å; F196-F247 AromaticContact CE2-CZ 3.42Å; F196-F247 HydrophobicContact CE2-CZ 3.42Å; F196-F247 VanDerWaalsContact CE2-CZ 3.42Å; F196-F247 AromaticContact CZ-CD1 3.41Å; F196-F247 HydrophobicContact CZ-CD1 3.41Å; F196-F247 VanDerWaalsContact CZ-CD1 3.41Å; F196-F247 AromaticContact CZ-CD2 3.74Å; F196-F247 HydrophobicContact CZ-CD2 3.74Å; F196-F247 AromaticContact CZ-CE1 3.18Å; F196-F247 HydrophobicContact CZ-CE1 3.18Å; F196-F247 AromaticContact CZ-CE2 3.55Å; F196-F247 HydrophobicContact CZ-CE2 3.55Å; F196-F247 AromaticContact CZ-CG 3.69Å; F196-F247 HydrophobicContact CZ-CG 3.69Å; F196-F247 AromaticContact CZ-CZ 3.26Å; F196-F247 HydrophobicContact CZ-CZ 3.26Å; F196-F249 HydrophobicContact CE1-CE1 4.07Å; F196-F249 HydrophobicContact CE1-CZ 4.11Å
197L66.1Low74.1Confident24 Ų2459.3 Ų59.313%0.12631%0.308CS..THydrogen-bonded Turntrans-69.6-28.8171-67.8-177.7000110.8L194 F243 L269 L272 F278 F284L194-L197 HydrophobicContact CD2-CD1 3.66Å; L194-L197 HydrophobicContact CD2-CG 4.44Å; L194-L197 WeakPolarHBondContact O-CB 3.25Å; L194-L197 PolarHBondContact O-N 3.32Å; L197-F243 HydrophobicContact CD1-CE1 4.47Å; L197-F243 HydrophobicContact CD1-CE2 4.13Å; L197-F243 HydrophobicContact CD1-CZ 3.59Å; L197-F243 HydrophobicContact CD2-CE2 4.21Å; L197-F243 HydrophobicContact CD2-CZ 4.1Å; L197-F243 HydrophobicContact CG-CZ 4Å; L197-L269 HydrophobicContact CD1-CD2 4.2Å; L197-L272 HydrophobicContact CD1-CD1 3.77Å; L197-F278 HydrophobicContact CD1-CD2 4.12Å; L197-F278 HydrophobicContact CD1-CE2 3.81Å; L197-F278 HydrophobicContact CD2-CD2 4.36Å; L197-F278 HydrophobicContact CD2-CE2 4.24Å; L197-F284 HydrophobicContact CD2-CE1 4.21Å; L197-F284 HydrophobicContact CD2-CZ 4.08Å
198L64Low74.3Confident17 Ų1760.8 Ų60.89%0.08932%0.317CS..THydrogen-bonded Turntrans-102.511.8-175.3-47.2171000113.3L194 S195 I202 Y210 L272L194-L198 WeakPolarHBondContact O-CG 3.3Å; L194-L198 PolarHBondContact O-N 2.88Å; S195-L198 CarbonylContact O-C 3.48Å; S195-L198 WeakPolarHBondContact O-CA 3.23Å; S195-L198 PolarHBondContact O-N 3Å; S195-L198 VanDerWaalsContact O-N 3.09Å; L198-I202 HydrophobicContact CB-CD1 4.1Å; L198-I202 HydrophobicContact CD2-CD1 3.27Å; L198-I202 HydrophobicContact CG-CD1 4.24Å; L198-Y210 HydrophobicContact CD1-CD1 3.49Å; L198-Y210 VanDerWaalsContact CD1-CD1 3.49Å; L198-Y210 HydrophobicContact CD1-CE1 3.38Å; L198-Y210 HydrophobicContact CD1-CG 4.45Å; L198-Y210 HydrophobicContact CD2-CD1 3.95Å; L198-Y210 HydrophobicContact CD2-CE1 4.25Å; L198-Y210 HydrophobicContact CD2-CG 4.11Å; L198-Y210 HydrophobicContact CG-CD1 4.39Å; L198-Y210 HydrophobicContact CG-CE1 4.41Å; L198-L272 HydrophobicContact CD2-CD2 4.05Å
199S65.5Low74.8Confident58 Ų5857.5 Ų57.541%0.40630%0.299SS..SBendtrans-67.1-173.7-178.168.60000110.6S195 F196 Q201 I202S195-S199 WeakPolarHBondContact O-CA 3.41Å; S195-S199 PolarHBondContact O-N 2.89Å; F196-S199 PolarHBondContact O-OG 2.83Å; S199-Q201 PolarHBondContact O-N 3.08Å; S199-I202 PolarHBondContact O-N 3.31Å
200D59.1Low75.3Confident171 Ų17156.8 Ų56.891%0.91430%0.296SS*.THydrogen-bonded Turntrans-46.60.5-171.1-51.8-19000118.4
201Q67.2Low75.7Confident111 Ų11158.3 Ų58.352%0.51930%0.304SS..THydrogen-bonded Turntrans-100.6-6.4179.1-60.3-98.4-26.100113.4S199 V277 R280S199-Q201 PolarHBondContact O-N 3.08Å; Q201-V277 WeakPolarHBondContact O-CG2 3.36Å; Q201-R280 PolarHBondContact O-NH1 3.04Å
202I72.9Confident76.4Confident23 Ų2355.3 Ų55.312%0.11829%0.291CS..SBendtrans-81.7132.2172.8-94.6-165.8000112.1L198 S199 T206 K207 V277L198-I202 HydrophobicContact CB-CD1 4.1Å; L198-I202 HydrophobicContact CD2-CD1 3.27Å; L198-I202 HydrophobicContact CG-CD1 4.24Å; S199-I202 PolarHBondContact O-N 3.31Å; I202-T206 HydrophobicContact CD1-CG2 4.23Å; I202-K207 HydrophobicContact CG2-CB 3.59Å; I202-K207 HydrophobicContact CG2-CG 4.37Å; I202-V277 HydrophobicContact CB-CG2 4.25Å; I202-V277 HydrophobicContact CD1-CG1 3.83Å; I202-V277 HydrophobicContact CD1-CG2 4.3Å; I202-V277 HydrophobicContact CG1-CB 3.97Å; I202-V277 HydrophobicContact CG1-CG1 3.68Å; I202-V277 HydrophobicContact CG1-CG2 3.28Å
203D75Confident77.3Confident60 Ų6049.5 Ų49.532%0.32126%0.264SS..  trans-68.3144.817072.490.1000110I205 T206 K207D203-I205 PolarHBondContact O-N 3.04Å; D203-I205 VanDerWaalsContact O-N 3.09Å; D203-I205 WeakPolarHBondContact OD1-CB 3.43Å; D203-I205 PolarHBondContact OD1-N 3.15Å; D203-I205 VanDerWaalsContact OD1-N 3.13Å; D203-T206 PolarHBondContact O-N 3.15Å; D203-T206 PolarHBondContact OD1-N 3.45Å; D203-T206 PolarHBondContact OD1-OG1 2.7Å; D203-T206 WeakPolarHBondContact OD2-CB 2.96Å; D203-T206 PolarHBondContact OD2-OG1 2.99Å; D203-K207 PolarHBondContact O-N 3.13Å; D203-K207 VanDerWaalsContact O-N 3.16Å
204P80.1Confident78.1Confident100 Ų10047.7 Ų47.765%0.64926%0.256SS*.Hα-helixtrans-56.2-31.2-175.2-28.135.4000114.5K207 I208P204-K207 WeakPolarHBondContact O-CB 3.43Å; P204-K207 PolarHBondContact O-N 2.84Å; P204-I208 VanDerWaalsContact O-CG1 3.31Å; P204-I208 WeakPolarHBondContact O-CG1 3.44Å; P204-I208 PolarHBondContact O-N 2.85Å; P204-I208 VanDerWaalsContact O-N 3.14Å
205I81.5Confident79Confident97 Ų9747.7 Ų47.750%0.49726%0.256SS..Hα-helixtrans-70.2-48.3-178.1-67.9174.4000109.9W169 D203 K207 I208 Q209W169-I205 HydrophobicContact CH2-CG2 3.7Å; W169-I205 HydrophobicContact CZ2-CG2 3.77Å; D203-I205 PolarHBondContact O-N 3.04Å; D203-I205 VanDerWaalsContact O-N 3.09Å; D203-I205 WeakPolarHBondContact OD1-CB 3.43Å; D203-I205 PolarHBondContact OD1-N 3.15Å; D203-I205 VanDerWaalsContact OD1-N 3.13Å; I205-K207 PolarHBondContact O-N 2.76Å; I205-I208 PolarHBondContact O-N 3.48Å; I205-Q209 WeakPolarHBondContact O-CG 3.24Å; I205-Q209 PolarHBondContact O-N 3.19Å
206T81.2Confident80.2Confident4 Ų444.8 Ų44.83%0.02524%0.235CC..Hα-helixtrans-61.4-35.9176.8-60.70000111.4I202 D203 Q209 Y210 K275 V277I202-T206 HydrophobicContact CD1-CG2 4.23Å; D203-T206 PolarHBondContact O-N 3.15Å; D203-T206 PolarHBondContact OD1-N 3.45Å; D203-T206 PolarHBondContact OD1-OG1 2.7Å; D203-T206 WeakPolarHBondContact OD2-CB 2.96Å; D203-T206 PolarHBondContact OD2-OG1 2.99Å; T206-Q209 PolarHBondContact O-N 3.02Å; T206-Y210 WeakPolarHBondContact O-CB 3.36Å; T206-Y210 PolarHBondContact O-N 3.29Å; T206-K275 HydrophobicContact CG2-CB 4.32Å; T206-K275 HydrophobicContact CG2-CD 4.45Å; T206-K275 HydrophobicContact CG2-CG 4.1Å; T206-V277 HydrophobicContact CG2-CG1 3.93Å
207K83.5Confident81.4Confident102 Ų10241.1 Ų41.144%0.44322%0.219SC..Hα-helixtrans-59.3-51.1174.4-166.8173.1176.4175.30111.9I202 D203 P204 I205 Q209 Y210 D211I202-K207 HydrophobicContact CG2-CB 3.59Å; I202-K207 HydrophobicContact CG2-CG 4.37Å; D203-K207 PolarHBondContact O-N 3.13Å; D203-K207 VanDerWaalsContact O-N 3.16Å; P204-K207 WeakPolarHBondContact O-CB 3.43Å; P204-K207 PolarHBondContact O-N 2.84Å; I205-K207 PolarHBondContact O-N 2.76Å; K207-Q209 VanDerWaalsContact C-N 3.32Å; K207-Q209 PolarHBondContact O-N 3.07Å; K207-Y210 WeakPolarHBondContact O-CB 3.14Å; K207-Y210 PolarHBondContact O-N 2.6Å; K207-Y210 VanDerWaalsContact O-N 3.12Å; K207-D211 PolarHBondContact O-N 3.09Å
208I86.1Confident82.7Confident55 Ų5540 Ų4028%0.28221%0.213SC..Hα-helixtrans-64.1-40.2-178.6-62.9162.7000110.8W169 P204 I205 Y210 D211 Y212W169-I208 HydrophobicContact CZ3-CB 4.49Å; W169-I208 HydrophobicContact CZ3-CG2 4.14Å; P204-I208 VanDerWaalsContact O-CG1 3.31Å; P204-I208 WeakPolarHBondContact O-CG1 3.44Å; P204-I208 PolarHBondContact O-N 2.85Å; P204-I208 VanDerWaalsContact O-N 3.14Å; I205-I208 PolarHBondContact O-N 3.48Å; I208-Y210 VanDerWaalsContact C-N 3.28Å; I208-Y210 PolarHBondContact O-N 3.01Å; I208-D211 PolarHBondContact O-N 2.95Å; I208-Y212 HydrophobicContact CG2-CD1 3.94Å; I208-Y212 HydrophobicContact CG2-CE1 3.73Å; I208-Y212 VanDerWaalsContact O-CD1 3.22Å; I208-Y212 WeakPolarHBondContact O-CD1 3.48Å; I208-Y212 PolarHBondContact O-N 2.93Å
209Q88.5Confident84.1Confident9 Ų940.2 Ų40.24%0.04222%0.215CC..Hα-helixtrans-61.2-38.9174.5-71.5-179.9-4.600112.3W169 I205 T206 K207 L213 F271W169-Q209 HydrophobicContact CD2-CG 4.15Å; W169-Q209 HydrophobicContact CE3-CG 3.59Å; W169-Q209 HydrophobicContact CH2-CG 3.54Å; W169-Q209 HydrophobicContact CZ2-CG 4.08Å; W169-Q209 VanDerWaalsContact CZ2-NE2 3.27Å; W169-Q209 HydrophobicContact CZ3-CB 4.39Å; W169-Q209 HydrophobicContact CZ3-CG 3.26Å; I205-Q209 WeakPolarHBondContact O-CG 3.24Å; I205-Q209 PolarHBondContact O-N 3.19Å; T206-Q209 PolarHBondContact O-N 3.02Å; K207-Q209 VanDerWaalsContact C-N 3.32Å; K207-Q209 PolarHBondContact O-N 3.07Å; Q209-L213 PolarHBondContact O-N 3.3Å; Q209-F271 HydrophobicContact CB-CZ 4.4Å
210Y87.9Confident85.5Confident0 Ų038.1 Ų38.10%020%0.198CC..Hα-helixtrans-68.4-43.8176.4-175.2-100.3000111.6I190 L194 L198 T206 K207 I208 Y212 L213 V214 M268 F271 L272I190-Y210 HydrophobicContact CG2-CE1 4.33Å; I190-Y210 WeakPolarHBondContact CG2-OH 3.43Å; L194-Y210 WeakPolarHBondContact CD1-OH 3.39Å; L198-Y210 HydrophobicContact CD1-CD1 3.49Å; L198-Y210 VanDerWaalsContact CD1-CD1 3.49Å; L198-Y210 HydrophobicContact CD1-CE1 3.38Å; L198-Y210 HydrophobicContact CD1-CG 4.45Å; L198-Y210 HydrophobicContact CD2-CD1 3.95Å; L198-Y210 HydrophobicContact CD2-CE1 4.25Å; L198-Y210 HydrophobicContact CD2-CG 4.11Å; L198-Y210 HydrophobicContact CG-CD1 4.39Å; L198-Y210 HydrophobicContact CG-CE1 4.41Å; T206-Y210 WeakPolarHBondContact O-CB 3.36Å; T206-Y210 PolarHBondContact O-N 3.29Å; K207-Y210 WeakPolarHBondContact O-CB 3.14Å; K207-Y210 PolarHBondContact O-N 2.6Å; K207-Y210 VanDerWaalsContact O-N 3.12Å; I208-Y210 VanDerWaalsContact C-N 3.28Å; I208-Y210 PolarHBondContact O-N 3.01Å; Y210-Y212 VanDerWaalsContact C-N 3.29Å; Y210-Y212 PolarHBondContact O-N 3.28Å; Y210-L213 WeakPolarHBondContact O-CB 3.28Å; Y210-L213 PolarHBondContact O-N 2.87Å; Y210-L213 VanDerWaalsContact O-N 3.1Å; Y210-V214 HydrophobicContact CD1-CG2 3.92Å; Y210-V214 HydrophobicContact CE1-CG2 3.42Å; Y210-V214 VanDerWaalsContact CE1-CG2 3.42Å; Y210-V214 HydrophobicContact CE2-CG2 4.27Å; Y210-V214 WeakPolarHBondContact O-CG2 3.47Å; Y210-V214 PolarHBondContact O-N 3.34Å; Y210-M268 HydrophobicContact CE2-CB 4.32Å; Y210-F271 HydrophobicContact CD2-CD1 4.38Å; Y210-L272 HydrophobicContact CD2-CD1 4.3Å; Y210-L272 HydrophobicContact CD2-CD2 3.55Å; Y210-L272 HydrophobicContact CD2-CG 3.94Å; Y210-L272 HydrophobicContact CE2-CD1 3.75Å; Y210-L272 HydrophobicContact CE2-CD2 3.88Å; Y210-L272 HydrophobicContact CE2-CG 3.79Å; Y210-L272 HydrophobicContact CG-CD2 4.28Å
211D88Confident87.2Confident31 Ų3132 Ų3217%0.16616%0.162CC..Hα-helixtrans-58.1-44.3175.1-66.9-20000110.6F191 K207 I208 L213 V214 D215F191-D211 WeakPolarHBondContact CE1-OD1 3.47Å; F191-D211 WeakPolarHBondContact CZ-OD1 3.23Å; K207-D211 PolarHBondContact O-N 3.09Å; I208-D211 PolarHBondContact O-N 2.95Å; D211-L213 PolarHBondContact O-N 3.24Å; D211-V214 PolarHBondContact O-N 2.89Å; D211-D215 PolarHBondContact O-N 3.39Å
212Y92.5Very high88.3Confident0 Ų031.3 Ų31.30%016%0.162CC..Hα-helixtrans-58.5-46.6174-82.331.5000111.6F168 Y172 G176 H177 P178 F179 I208 Y210 V214 D215 I216F168-Y212 HydrophobicContact CB-CD2 4.04Å; F168-Y212 HydrophobicContact CB-CE2 3.99Å; Y172-Y212 WeakPolarHBondContact CB-OH 3.46Å; G176-Y212 PolarHBondContact O-OH 2.94Å; G176-Y212 VanDerWaalsContact O-OH 3.1Å; H177-Y212 AromaticContact ND1-CE1 3.93Å; P178-Y212 WeakPolarHBondContact CD-OH 3.16Å; F179-Y212 HydrophobicContact CD2-CD1 4.31Å; F179-Y212 AromaticContact CE2-CD1 3.57Å; F179-Y212 HydrophobicContact CE2-CD1 3.57Å; F179-Y212 AromaticContact CE2-CD2 3.83Å; F179-Y212 HydrophobicContact CE2-CD2 3.83Å; F179-Y212 AromaticContact CE2-CE1 3.87Å; F179-Y212 HydrophobicContact CE2-CE1 3.87Å; F179-Y212 HydrophobicContact CE2-CE2 4.12Å; F179-Y212 AromaticContact CE2-CG 3.52Å; F179-Y212 HydrophobicContact CE2-CG 3.52Å; F179-Y212 HydrophobicContact CZ-CD2 4.05Å; F179-Y212 HydrophobicContact CZ-CE2 4.42Å; F179-Y212 HydrophobicContact CZ-CG 4.08Å; I208-Y212 HydrophobicContact CG2-CD1 3.94Å; I208-Y212 HydrophobicContact CG2-CE1 3.73Å; I208-Y212 VanDerWaalsContact O-CD1 3.22Å; I208-Y212 WeakPolarHBondContact O-CD1 3.48Å; I208-Y212 PolarHBondContact O-N 2.93Å; Y210-Y212 VanDerWaalsContact C-N 3.29Å; Y210-Y212 PolarHBondContact O-N 3.28Å; Y212-V214 VanDerWaalsContact C-N 3.35Å; Y212-V214 PolarHBondContact O-N 3.3Å; Y212-D215 PolarHBondContact O-N 2.77Å; Y212-I216 WeakPolarHBondContact O-CB 3.47Å; Y212-I216 WeakPolarHBondContact O-CD1 3.26Å; Y212-I216 WeakPolarHBondContact O-CG1 3.49Å; Y212-I216 PolarHBondContact O-N 2.64Å
213L92.7Very high89.1Confident0 Ų033.4 Ų33.40%018%0.178CC..Hα-helixtrans-62.3-42.4179.1-179.966.6000112.1L165 Q209 Y210 D211 T217 F267 M268 F271L165-L213 HydrophobicContact CD1-CB 4.34Å; L165-L213 HydrophobicContact CD2-CD1 4.32Å; Q209-L213 PolarHBondContact O-N 3.3Å; Y210-L213 WeakPolarHBondContact O-CB 3.28Å; Y210-L213 PolarHBondContact O-N 2.87Å; Y210-L213 VanDerWaalsContact O-N 3.1Å; D211-L213 PolarHBondContact O-N 3.24Å; L213-T217 WeakPolarHBondContact O-CB 3.39Å; L213-T217 PolarHBondContact O-N 2.89Å; L213-T217 PolarHBondContact O-OG1 3.31Å; L213-F267 HydrophobicContact CD1-CE1 3.62Å; L213-F267 HydrophobicContact CD1-CZ 4.04Å; L213-F267 HydrophobicContact CG-CE1 4.48Å; L213-M268 HydrophobicContact CD2-CG 4.13Å; L213-M268 HydrophobicContact CG-CG 4.35Å; L213-F271 HydrophobicContact CD2-CB 3.47Å; L213-F271 VanDerWaalsContact CD2-CB 3.47Å; L213-F271 HydrophobicContact CD2-CD1 3.41Å; L213-F271 VanDerWaalsContact CD2-CD1 3.41Å; L213-F271 HydrophobicContact CD2-CD2 3.79Å; L213-F271 HydrophobicContact CD2-CE1 4.02Å; L213-F271 HydrophobicContact CD2-CE2 4.35Å; L213-F271 HydrophobicContact CD2-CG 3.27Å; L213-F271 HydrophobicContact CD2-CZ 4.45Å
214V92.4Very high90Very high0 Ų037.1 Ų37.10%020%0.198CC..Hα-helixtrans-60.1-49.7177.3168.30000109.7K187 I190 F191 Y210 D211 Y212 T217 L218 M268K187-V214 HydrophobicContact CG-CG1 4.46Å; I190-V214 HydrophobicContact CD1-CG1 4.07Å; I190-V214 HydrophobicContact CG2-CG1 4.45Å; I190-V214 HydrophobicContact CG2-CG2 3.95Å; F191-V214 HydrophobicContact CE2-CG1 4.21Å; Y210-V214 HydrophobicContact CD1-CG2 3.92Å; Y210-V214 HydrophobicContact CE1-CG2 3.42Å; Y210-V214 VanDerWaalsContact CE1-CG2 3.42Å; Y210-V214 HydrophobicContact CE2-CG2 4.27Å; Y210-V214 WeakPolarHBondContact O-CG2 3.47Å; Y210-V214 PolarHBondContact O-N 3.34Å; D211-V214 PolarHBondContact O-N 2.89Å; Y212-V214 VanDerWaalsContact C-N 3.35Å; Y212-V214 PolarHBondContact O-N 3.3Å; V214-T217 WeakPolarHBondContact O-CB 3.26Å; V214-T217 PolarHBondContact O-N 3.45Å; V214-L218 HydrophobicContact CG1-CD1 3.74Å; V214-L218 HydrophobicContact CG1-CG 4.38Å; V214-L218 WeakPolarHBondContact O-CB 3.49Å; V214-L218 VanDerWaalsContact O-CG 3.28Å; V214-L218 WeakPolarHBondContact O-CG 3.49Å; V214-L218 PolarHBondContact O-N 2.91Å; V214-M268 HydrophobicContact CG2-SD 3.76Å
215D93.7Very high90.7Very high1 Ų135.6 Ų35.61%0.00518%0.182CC..Hα-helixtrans-68.3-42.3-177.1-72.7-44.8000112.4H177 F179 I181 K187 D211 Y212 T217 L218 I219H177-D215 IonicContact CE1-OD2 2.74Å; H177-D215 PolarHBondContact CE1-OD2 3.3Å; H177-D215 IonicContact NE2-OD2 3.19Å; H177-D215 PolarHBondContact NE2-OD2 2.87Å; F179-D215 HydrophobicContact CB-CB 3.73Å; F179-D215 HydrophobicContact CD1-CB 4.35Å; F179-D215 HydrophobicContact CD2-CB 3.87Å; F179-D215 HydrophobicContact CG-CB 3.7Å; I181-D215 WeakPolarHBondContact CG2-OD1 3.34Å; K187-D215 WeakPolarHBondContact CE-OD1 3.38Å; K187-D215 IonicContact NZ-OD1 3.69Å; K187-D215 PolarHBondContact NZ-OD1 3.16Å; K187-D215 IonicContact NZ-OD2 2.81Å; K187-D215 PolarHBondContact NZ-OD2 2.85Å; D211-D215 PolarHBondContact O-N 3.39Å; Y212-D215 PolarHBondContact O-N 2.77Å; D215-T217 VanDerWaalsContact C-N 3.32Å; D215-T217 PolarHBondContact O-N 3.37Å; D215-L218 PolarHBondContact O-N 3.48Å; D215-I219 WeakPolarHBondContact O-CB 3.48Å; D215-I219 VanDerWaalsContact O-CG1 3.23Å; D215-I219 WeakPolarHBondContact O-CG1 3.41Å; D215-I219 PolarHBondContact O-N 2.97Å
216I95.5Very high91.4Very high0 Ų033.8 Ų33.80%018%0.176CC..Hα-helixtrans-58.3-46.6172.9-67.5163.3000110.5L105 R161 F164 L165 F168 F179 Y212 L218 I219 R220L105-I216 HydrophobicContact CD2-CB 4.34Å; L105-I216 HydrophobicContact CD2-CG1 3.78Å; L105-I216 HydrophobicContact CD2-CG2 4.21Å; R161-I216 HydrophobicContact CB-CG2 4.05Å; R161-I216 HydrophobicContact CG-CG2 4.1Å; F164-I216 HydrophobicContact CB-CD1 4.16Å; F164-I216 HydrophobicContact CB-CG1 4.49Å; F164-I216 HydrophobicContact CB-CG2 3.99Å; L165-I216 VanDerWaalsContact CA-CD1 3.44Å; L165-I216 HydrophobicContact CB-CD1 3.99Å; L165-I216 HydrophobicContact CD1-CD1 4.28Å; F168-I216 HydrophobicContact CD2-CD1 4.27Å; F179-I216 HydrophobicContact CD1-CG1 4.42Å; F179-I216 HydrophobicContact CE1-CD1 4.24Å; F179-I216 HydrophobicContact CE1-CG1 3.61Å; F179-I216 HydrophobicContact CZ-CD1 4Å; F179-I216 HydrophobicContact CZ-CG1 3.81Å; Y212-I216 WeakPolarHBondContact O-CB 3.47Å; Y212-I216 WeakPolarHBondContact O-CD1 3.26Å; Y212-I216 WeakPolarHBondContact O-CG1 3.49Å; Y212-I216 PolarHBondContact O-N 2.64Å; I216-L218 PolarHBondContact O-N 2.87Å; I216-I219 PolarHBondContact O-N 3.47Å; I216-R220 VanDerWaalsContact O-CG 3.26Å; I216-R220 WeakPolarHBondContact O-CG 3.49Å; I216-R220 PolarHBondContact O-N 3.29Å; I216-R220 VanDerWaalsContact O-N 3.13Å
217T95Very high92.1Very high0 Ų033.8 Ų33.80%018%0.176CC..Hα-helixtrans-59.8-46.8179-68.80000111.3L213 V214 D215 R220 Y221 F261 E264 M268L213-T217 WeakPolarHBondContact O-CB 3.39Å; L213-T217 PolarHBondContact O-N 2.89Å; L213-T217 PolarHBondContact O-OG1 3.31Å; V214-T217 WeakPolarHBondContact O-CB 3.26Å; V214-T217 PolarHBondContact O-N 3.45Å; D215-T217 VanDerWaalsContact C-N 3.32Å; D215-T217 PolarHBondContact O-N 3.37Å; T217-R220 PolarHBondContact O-N 2.91Å; T217-Y221 VanDerWaalsContact O-CB 3.31Å; T217-Y221 WeakPolarHBondContact O-CB 3.48Å; T217-Y221 PolarHBondContact O-N 2.98Å; T217-F261 HydrophobicContact CG2-CZ 4.1Å; T217-E264 HydrophobicContact CG2-CB 3.97Å; T217-M268 HydrophobicContact CG2-CE 4.3Å; T217-M268 HydrophobicContact CG2-SD 4.4Å
218L93.6Very high92.7Very high0 Ų034.7 Ų34.70%018%0.182CC..Hα-helixtrans-67.8-41-180-72.3171.2000112.3I181 E186 K187 I190 V214 D215 I216 R220 Y221 L222 F261I181-L218 HydrophobicContact CD1-CB 3.31Å; I181-L218 HydrophobicContact CD1-CD1 4.27Å; I181-L218 HydrophobicContact CD1-CG 4.45Å; E186-L218 HydrophobicContact CB-CD2 3.63Å; K187-L218 HydrophobicContact CB-CD1 3.58Å; K187-L218 HydrophobicContact CD-CD1 4.07Å; K187-L218 HydrophobicContact CG-CD1 3.88Å; I190-L218 HydrophobicContact CD1-CD2 4.33Å; V214-L218 HydrophobicContact CG1-CD1 3.74Å; V214-L218 HydrophobicContact CG1-CG 4.38Å; V214-L218 WeakPolarHBondContact O-CB 3.49Å; V214-L218 VanDerWaalsContact O-CG 3.28Å; V214-L218 WeakPolarHBondContact O-CG 3.49Å; V214-L218 PolarHBondContact O-N 2.91Å; D215-L218 PolarHBondContact O-N 3.48Å; I216-L218 PolarHBondContact O-N 2.87Å; L218-R220 VanDerWaalsContact C-N 3.29Å; L218-R220 PolarHBondContact O-N 3.3Å; L218-Y221 PolarHBondContact O-N 3.36Å; L218-L222 VanDerWaalsContact O-CB 3.25Å; L218-L222 WeakPolarHBondContact O-CB 3.5Å; L218-L222 WeakPolarHBondContact O-CG 3.47Å; L218-L222 PolarHBondContact O-N 3.02Å; L218-F261 HydrophobicContact CD2-CE2 3.81Å; L218-F261 HydrophobicContact CD2-CZ 3.86Å
219I94.3Very high92.9Very high23 Ų2335.5 Ų35.512%0.11819%0.187CC..Hα-helixtrans-57.2-48.1176.9-72168.2000109.4L105 L106 F179 I181 D215 I216 S223L105-I219 HydrophobicContact CD1-CB 4.45Å; L105-I219 HydrophobicContact CD1-CG2 3.9Å; L105-I219 HydrophobicContact CD2-CD1 4.4Å; L105-I219 HydrophobicContact CG-CD1 4.4Å; L105-I219 HydrophobicContact CG-CG2 4.04Å; L105-I219 VanDerWaalsContact O-CG2 3.29Å; L105-I219 WeakPolarHBondContact O-CG2 3.29Å; L106-I219 HydrophobicContact CD2-CD1 4.11Å; F179-I219 HydrophobicContact CB-CD1 4.3Å; F179-I219 HydrophobicContact CD1-CD1 3.83Å; F179-I219 HydrophobicContact CG-CD1 4.48Å; I181-I219 HydrophobicContact CD1-CB 4.44Å; I181-I219 HydrophobicContact CD1-CD1 4.49Å; I181-I219 HydrophobicContact CD1-CG1 3.54Å; I181-I219 HydrophobicContact CG1-CG1 3.8Å; D215-I219 WeakPolarHBondContact O-CB 3.48Å; D215-I219 VanDerWaalsContact O-CG1 3.23Å; D215-I219 WeakPolarHBondContact O-CG1 3.41Å; D215-I219 PolarHBondContact O-N 2.97Å; I216-I219 PolarHBondContact O-N 3.47Å; I219-S223 VanDerWaalsContact O-CB 3.25Å; I219-S223 WeakPolarHBondContact O-CB 3.17Å; I219-S223 PolarHBondContact O-N 3.09Å; I219-S223 PolarHBondContact O-OG 3.41Å
220R94.9Very high93.1Very high14 Ų1440.8 Ų40.85%0.05322%0.216CC..Hα-helixtrans-65.9-46.8-179.6-65.3-63.8-62.2158.60.6112.2L105 E157 R161 I216 T217 L218 S223 N224 H225L105-R220 VanDerWaalsContact CD1-CD 3.46Å; L105-R220 HydrophobicContact CD1-CG 3.85Å; E157-R220 WeakPolarHBondContact OE1-CB 3.25Å; E157-R220 WeakPolarHBondContact OE1-CG 3.3Å; E157-R220 IonicContact OE1-CZ 3.55Å; E157-R220 IonicContact OE1-NE 2.74Å; E157-R220 PolarHBondContact OE1-NE 3.32Å; E157-R220 IonicContact OE1-NH2 2.87Å; E157-R220 IonicContact OE2-CZ 3.53Å; E157-R220 IonicContact OE2-NE 2.62Å; E157-R220 PolarHBondContact OE2-NE 3.28Å; E157-R220 IonicContact OE2-NH2 3.41Å; E157-R220 PolarHBondContact OE2-NH2 2.84Å; R161-R220 HydrophobicContact CG-CG 4.12Å; I216-R220 VanDerWaalsContact O-CG 3.26Å; I216-R220 WeakPolarHBondContact O-CG 3.49Å; I216-R220 PolarHBondContact O-N 3.29Å; I216-R220 VanDerWaalsContact O-N 3.13Å; T217-R220 PolarHBondContact O-N 2.91Å; L218-R220 VanDerWaalsContact C-N 3.29Å; L218-R220 PolarHBondContact O-N 3.3Å; R220-S223 CarbonylContact O-C 3.5Å; R220-S223 PolarHBondContact O-N 3.29Å; R220-N224 PolarHBondContact O-N 3.37Å; R220-H225 HydrophobicContact CB-CB 4.45Å; R220-H225 VanDerWaalsContact CZ-CD2 3.44Å; R220-H225 PolarHBondContact NH1-CD2 3.39Å; R220-H225 VanDerWaalsContact NH1-CD2 3.3Å; R220-H225 PolarHBondContact NH2-CD2 3.47Å; R220-H225 WeakPolarHBondContact O-CA 3.45Å; R220-H225 WeakPolarHBondContact O-CB 3.35Å; R220-H225 PolarHBondContact O-N 3.06Å
221Y94Very high93.4Very high42 Ų4242 Ų4217%0.16522%0.221CC..Hα-helixtrans-59.2-49.2177.2175.8-99.6000112.1E186 T217 L218 S223 N224 P226 N260 F261 E264E186-Y221 HydrophobicContact CG-CE1 4.43Å; T217-Y221 VanDerWaalsContact O-CB 3.31Å; T217-Y221 WeakPolarHBondContact O-CB 3.48Å; T217-Y221 PolarHBondContact O-N 2.98Å; L218-Y221 PolarHBondContact O-N 3.36Å; Y221-S223 PolarHBondContact O-N 3.15Å; Y221-N224 WeakPolarHBondContact O-CA 3.32Å; Y221-N224 PolarHBondContact O-N 2.97Å; Y221-P226 HydrophobicContact CD2-CB 4.08Å; Y221-P226 HydrophobicContact CE2-CB 4.35Å; Y221-N260 WeakPolarHBondContact OH-CB 3.14Å; Y221-F261 AromaticContact CD1-CD2 4Å; Y221-F261 HydrophobicContact CD1-CD2 4Å; Y221-F261 HydrophobicContact CD1-CE2 4.06Å; Y221-F261 HydrophobicContact CD2-CD2 4.15Å; Y221-F261 HydrophobicContact CD2-CE2 4.42Å; Y221-F261 AromaticContact CE1-CD2 3.94Å; Y221-F261 HydrophobicContact CE1-CD2 3.94Å; Y221-F261 HydrophobicContact CE1-CE2 4.45Å; Y221-F261 HydrophobicContact CE2-CD2 4.1Å; Y221-F261 HydrophobicContact CG-CD2 4.1Å; Y221-F261 HydrophobicContact CG-CE2 4.04Å; Y221-F261 AromaticContact CZ-CD2 4Å; Y221-E264 HydrophobicContact CD2-CG 3.95Å; Y221-E264 WeakPolarHBondContact CD2-OE1 3.5Å; Y221-E264 HydrophobicContact CE2-CG 4.47Å
222L90.7Very high93.7Very high97 Ų9740.7 Ų40.751%0.50821%0.214SC..Hα-helixtrans-67.8-23.6179.4-66.1173000112.6L218 N224L218-L222 VanDerWaalsContact O-CB 3.25Å; L218-L222 WeakPolarHBondContact O-CB 3.5Å; L218-L222 WeakPolarHBondContact O-CG 3.47Å; L218-L222 PolarHBondContact O-N 3.02Å; L222-N224 PolarHBondContact O-N 3.48Å
223S90.5Very high93.8Very high67 Ų6740.8 Ų40.847%0.46922%0.215SC..THydrogen-bonded Turntrans-84.716.5171-530000113I219 R220 Y221 H225I219-S223 VanDerWaalsContact O-CB 3.25Å; I219-S223 WeakPolarHBondContact O-CB 3.17Å; I219-S223 PolarHBondContact O-N 3.09Å; I219-S223 PolarHBondContact O-OG 3.41Å; R220-S223 CarbonylContact O-C 3.5Å; R220-S223 PolarHBondContact O-N 3.29Å; Y221-S223 PolarHBondContact O-N 3.15Å; S223-H225 PolarHBondContact O-CD2 2.89Å; S223-H225 VanDerWaalsContact O-CD2 3.28Å; S223-H225 PolarHBondContact O-N 3.48Å
224N92.8Very high93.7Very high138 Ų13845.9 Ų45.974%0.73825%0.246SC*.THydrogen-bonded Turntrans63.336.5177.8-164.661.8000114R220 Y221 L222 P226R220-N224 PolarHBondContact O-N 3.37Å; Y221-N224 WeakPolarHBondContact O-CA 3.32Å; Y221-N224 PolarHBondContact O-N 2.97Å; L222-N224 PolarHBondContact O-N 3.48Å; N224-P226 WeakPolarHBondContact O-CD 3.29Å
225H95.1Very high93.6Very high68 Ų6846.3 Ų46.332%0.31525%0.248SC..  trans-117.669.7168.5-59.7-75.2000110.6E157 R161 R220 S223E157-H225 WeakPolarHBondContact CG-O 3.38Å; R161-H225 PolarHBondContact NH2-O 2.92Å; R220-H225 HydrophobicContact CB-CB 4.45Å; R220-H225 VanDerWaalsContact CZ-CD2 3.44Å; R220-H225 PolarHBondContact NH1-CD2 3.39Å; R220-H225 VanDerWaalsContact NH1-CD2 3.3Å; R220-H225 PolarHBondContact NH2-CD2 3.47Å; R220-H225 WeakPolarHBondContact O-CA 3.45Å; R220-H225 WeakPolarHBondContact O-CB 3.35Å; R220-H225 PolarHBondContact O-N 3.06Å; S223-H225 PolarHBondContact O-CD2 2.89Å; S223-H225 VanDerWaalsContact O-CD2 3.28Å; S223-H225 PolarHBondContact O-N 3.48Å
226P96.2Very high93.6Very high58 Ų5846.3 Ų46.338%0.37725%0.248SC..PPolyproline II helixtrans-71.6150.7177.232.4-35.6000111.1Y221 N224 E228 E264Y221-P226 HydrophobicContact CD2-CB 4.08Å; Y221-P226 HydrophobicContact CE2-CB 4.35Å; N224-P226 WeakPolarHBondContact O-CD 3.29Å; P226-E228 PolarHBondContact O-N 3.37Å; P226-E264 VanDerWaalsContact CA-OE1 3.25Å; P226-E264 WeakPolarHBondContact CA-OE1 2.83Å
227I97.2Very high93.5Very high5 Ų547.5 Ų47.53%0.02625%0.254CS..PPolyproline II helixtrans-67.8126.9165.8-68.4174.9000108.7E157 P158 E231 L232 D263 E264 F267E157-I227 HydrophobicContact CB-CG1 4.11Å; E157-I227 HydrophobicContact CG-CG1 3.92Å; P158-I227 HydrophobicContact CG-CD1 3.99Å; P158-I227 HydrophobicContact CG-CG1 4.12Å; P158-I227 HydrophobicContact CG-CG2 4.1Å; I227-E231 HydrophobicContact CG2-CB 4.34Å; I227-L232 HydrophobicContact CG2-CD1 4.24Å; I227-L232 HydrophobicContact CG2-CD2 3.94Å; I227-L232 HydrophobicContact CG2-CG 3.85Å; I227-D263 HydrophobicContact CG2-CB 4.41Å; I227-E264 WeakPolarHBondContact CB-OE2 3.36Å; I227-E264 WeakPolarHBondContact CD1-OE2 3.37Å; I227-E264 WeakPolarHBondContact CG1-OE2 3.44Å; I227-E264 PolarHBondContact N-OE1 3.13Å; I227-F267 HydrophobicContact CD1-CB 3.52Å; I227-F267 HydrophobicContact CD1-CD1 3.63Å; I227-F267 HydrophobicContact CD1-CD2 4.25Å; I227-F267 HydrophobicContact CD1-CE1 4.38Å; I227-F267 HydrophobicContact CD1-CG 3.54Å
228E94.4Very high93.4Very high121 Ų12150.9 Ų50.957%0.56527%0.271SS*.PPolyproline II helixtrans-82.9143.2170.9-61.6-173.5177.200110.3P226 N230 E231P226-E228 PolarHBondContact O-N 3.37Å; E228-N230 WeakPolarHBondContact CB-OD1 3.43Å; E228-N230 PolarHBondContact O-N 3.39Å; E228-N230 VanDerWaalsContact O-N 3.12Å; E228-N230 PolarHBondContact OE2-OD1 2.7Å; E228-E231 HydrophobicContact CB-CG 4.06Å; E228-E231 PolarHBondContact N-OE2 3.13Å; E228-E231 VanDerWaalsContact O-CB 3.29Å; E228-E231 WeakPolarHBondContact O-CB 3.46Å; E228-E231 PolarHBondContact O-N 3.15Å
229N90Very high93.3Very high72 Ų7251 Ų5139%0.38527%0.272SS..G310 helixtrans-57.1-33.5-174.7-173.1-93.4000113.7E231 L232 I237 D263N229-E231 PolarHBondContact O-N 3.5Å; N229-L232 PolarHBondContact O-N 3.25Å; N229-I237 WeakPolarHBondContact ND2-CD1 3.48Å; N229-I237 VanDerWaalsContact OD1-CD1 3.31Å; N229-I237 WeakPolarHBondContact OD1-CD1 3.19Å; N229-D263 PolarHBondContact ND2-OD1 3.42Å
230N93Very high93.1Very high120 Ų12049.9 Ų49.964%0.64227%0.267SS*.G310 helixtrans-70.8-1117661-19.9000114E228 L232E228-N230 WeakPolarHBondContact CB-OD1 3.43Å; E228-N230 PolarHBondContact O-N 3.39Å; E228-N230 VanDerWaalsContact O-N 3.12Å; E228-N230 PolarHBondContact OE2-OD1 2.7Å; N230-L232 VanDerWaalsContact C-N 3.33Å
231E95Very high92.9Very high24 Ų2452 Ų5211%0.11228%0.279CS..G310 helixtrans-86.2-6.6174.8-55.5-177.4118.500112.6L156 E157 P158 I227 E228 N229 Y341L156-E231 WeakPolarHBondContact CA-OE1 3.41Å; L156-E231 HydrophobicContact CD2-CB 4.25Å; L156-E231 HydrophobicContact CD2-CG 3.82Å; E157-E231 PolarHBondContact N-OE1 3.1Å; P158-E231 HydrophobicContact CG-CB 4.12Å; I227-E231 HydrophobicContact CG2-CB 4.34Å; E228-E231 HydrophobicContact CB-CG 4.06Å; E228-E231 PolarHBondContact N-OE2 3.13Å; E228-E231 VanDerWaalsContact O-CB 3.29Å; E228-E231 WeakPolarHBondContact O-CB 3.46Å; E228-E231 PolarHBondContact O-N 3.15Å; N229-E231 PolarHBondContact O-N 3.5Å; E231-Y341 VanDerWaalsContact O-CE1 3.26Å; E231-Y341 WeakPolarHBondContact O-CE1 3.31Å; E231-Y341 PolarHBondContact O-OH 2.97Å
232L94.9Very high92.6Very high5 Ų552.9 Ų52.93%0.02628%0.284CS..SBendtrans-99.3145.2178.4-63.7176.1000111.7P158 I227 N229 N230 V234 I237 D263 F267P158-L232 HydrophobicContact CG-CD2 4.46Å; I227-L232 HydrophobicContact CG2-CD1 4.24Å; I227-L232 HydrophobicContact CG2-CD2 3.94Å; I227-L232 HydrophobicContact CG2-CG 3.85Å; N229-L232 PolarHBondContact O-N 3.25Å; N230-L232 VanDerWaalsContact C-N 3.33Å; L232-V234 PolarHBondContact O-N 3.3Å; L232-I237 HydrophobicContact CB-CD1 4.18Å; L232-I237 HydrophobicContact CB-CG1 4.06Å; L232-I237 HydrophobicContact CD1-CG1 4.21Å; L232-D263 HydrophobicContact CD1-CB 4.03Å; L232-F267 HydrophobicContact CD2-CB 3.98Å
233P93.1Very high92.3Very high2 Ų248.4 Ų48.41%0.01326%0.26CS..  trans-56.1136.6165.1-22.430.6000110.4E235 S236 I237 L270 L336 F340 Y341P233-E235 HydrophobicContact CB-CG 4.2Å; P233-E235 PolarHBondContact O-N 3.1Å; P233-E235 VanDerWaalsContact O-N 3.14Å; P233-S236 WeakPolarHBondContact O-CA 3.41Å; P233-S236 WeakPolarHBondContact O-CB 3.48Å; P233-S236 PolarHBondContact O-N 2.86Å; P233-I237 PolarHBondContact O-N 3.38Å; P233-L270 HydrophobicContact CG-CD2 4.04Å; P233-L336 HydrophobicContact CB-CD1 4.35Å; P233-L336 HydrophobicContact CB-CD2 3.94Å; P233-L336 HydrophobicContact CB-CG 4.32Å; P233-L336 HydrophobicContact CG-CD1 4.48Å; P233-L336 HydrophobicContact CG-CD2 4.01Å; P233-L336 HydrophobicContact CG-CG 4.11Å; P233-F340 HydrophobicContact CB-CD2 4.28Å; P233-F340 HydrophobicContact CB-CE2 4.12Å; P233-F340 HydrophobicContact CB-CZ 4.35Å; P233-F340 HydrophobicContact CG-CB 4.39Å; P233-F340 HydrophobicContact CG-CD1 4.05Å; P233-F340 HydrophobicContact CG-CD2 3.89Å; P233-F340 HydrophobicContact CG-CE1 4.3Å; P233-F340 HydrophobicContact CG-CE2 4.16Å; P233-F340 HydrophobicContact CG-CG 3.85Å; P233-F340 HydrophobicContact CG-CZ 4.37Å; P233-Y341 VanDerWaalsContact CD-OH 3.28Å; P233-Y341 WeakPolarHBondContact CD-OH 3.34Å
234V91.9Very high92Very high106 Ų10645.4 Ų45.464%0.64224%0.239SC*.Hα-helixtrans-52.9-40.4179.2173.90000111.7L232 S236 I237 L238L232-V234 PolarHBondContact O-N 3.3Å; V234-S236 VanDerWaalsContact C-N 3.3Å; V234-S236 PolarHBondContact O-N 2.97Å; V234-I237 PolarHBondContact O-N 2.9Å; V234-L238 HydrophobicContact CG1-CD1 3.89Å; V234-L238 HydrophobicContact CG1-CG 4.23Å; V234-L238 WeakPolarHBondContact O-CG 3.18Å; V234-L238 PolarHBondContact O-N 3.42Å
235E90.3Very high91.6Very high10 Ų1045 Ų455%0.04723%0.233CC..Hα-helixtrans-64.8-31.3177.864.4-164.313300113.3P233 I237 L238 I239 I295 S297 N298 I299 L336P233-E235 HydrophobicContact CB-CG 4.2Å; P233-E235 PolarHBondContact O-N 3.1Å; P233-E235 VanDerWaalsContact O-N 3.14Å; E235-I237 VanDerWaalsContact C-N 3.34Å; E235-I237 PolarHBondContact O-N 2.76Å; E235-L238 PolarHBondContact O-N 3.46Å; E235-I239 VanDerWaalsContact O-CB 3.32Å; E235-I239 WeakPolarHBondContact O-CB 3.33Å; E235-I239 VanDerWaalsContact O-CG1 3.27Å; E235-I239 WeakPolarHBondContact O-CG1 3.29Å; E235-I239 PolarHBondContact O-N 3.44Å; E235-I295 HydrophobicContact CB-CD1 4.19Å; E235-S297 WeakPolarHBondContact OE2-CB 3.31Å; E235-S297 PolarHBondContact OE2-OG 3.45Å; E235-N298 WeakPolarHBondContact OE1-CB 2.95Å; E235-N298 PolarHBondContact OE1-ND2 2.88Å; E235-N298 PolarHBondContact OE2-N 3.45Å; E235-I299 PolarHBondContact OE2-N 3.26Å; E235-L336 HydrophobicContact CG-CD2 3.77Å; E235-L336 WeakPolarHBondContact OE1-CD1 3.49Å; E235-L336 WeakPolarHBondContact OE1-CD2 3.39Å
236S92.7Very high90.9Very high1 Ų144.8 Ų44.81%0.00723%0.232CC..Hα-helixtrans-61.1-45.1173.3-175.90000111.1P233 V234 G240 Y266P233-S236 WeakPolarHBondContact O-CA 3.41Å; P233-S236 WeakPolarHBondContact O-CB 3.48Å; P233-S236 PolarHBondContact O-N 2.86Å; V234-S236 VanDerWaalsContact C-N 3.3Å; V234-S236 PolarHBondContact O-N 2.97Å; S236-G240 WeakPolarHBondContact O-CA 2.94Å; S236-G240 PolarHBondContact O-N 3.26Å; S236-Y266 PolarHBondContact OG-O 3.01Å
237I93.7Very high90.2Very high24 Ų2444.6 Ų44.612%0.12323%0.225CC..Hα-helixtrans-65.8-47178.4-61.5159000110.6N229 L232 P233 V234 E235 G240 N241 Y266N229-I237 WeakPolarHBondContact ND2-CD1 3.48Å; N229-I237 VanDerWaalsContact OD1-CD1 3.31Å; N229-I237 WeakPolarHBondContact OD1-CD1 3.19Å; L232-I237 HydrophobicContact CB-CD1 4.18Å; L232-I237 HydrophobicContact CB-CG1 4.06Å; L232-I237 HydrophobicContact CD1-CG1 4.21Å; P233-I237 PolarHBondContact O-N 3.38Å; V234-I237 PolarHBondContact O-N 2.9Å; E235-I237 VanDerWaalsContact C-N 3.34Å; E235-I237 PolarHBondContact O-N 2.76Å; I237-G240 PolarHBondContact O-N 3.28Å; I237-N241 PolarHBondContact O-N 3.14Å; I237-N241 PolarHBondContact O-ND2 3.25Å; I237-Y266 HydrophobicContact CB-CD2 4.41Å; I237-Y266 HydrophobicContact CG1-CD2 4.35Å; I237-Y266 HydrophobicContact CG2-CD2 4.37Å; I237-Y266 HydrophobicContact CG2-CE2 4.16Å
238L93.8Very high89.3Confident71 Ų7151.6 Ų51.637%0.37226%0.257SS..Hα-helixtrans-64.4-42.9-177.6-67.5177.3000112V234 E235 K242 I295V234-L238 HydrophobicContact CG1-CD1 3.89Å; V234-L238 HydrophobicContact CG1-CG 4.23Å; V234-L238 WeakPolarHBondContact O-CG 3.18Å; V234-L238 PolarHBondContact O-N 3.42Å; E235-L238 PolarHBondContact O-N 3.46Å; L238-K242 WeakPolarHBondContact O-CG 3.39Å; L238-K242 PolarHBondContact O-N 3.43Å; L238-I295 HydrophobicContact CB-CD1 3.83Å; L238-I295 HydrophobicContact CB-CG2 4.33Å; L238-I295 HydrophobicContact CD1-CB 4.15Å; L238-I295 HydrophobicContact CD1-CD1 4.19Å; L238-I295 HydrophobicContact CD1-CG2 4.25Å
239I91Very high88.5Confident2 Ų246 Ų461%0.0123%0.231CC..Hα-helixtrans-71-41.6177.2-67.4-178000111E235 N241 K242 F243 H292 I295E235-I239 VanDerWaalsContact O-CB 3.32Å; E235-I239 WeakPolarHBondContact O-CB 3.33Å; E235-I239 VanDerWaalsContact O-CG1 3.27Å; E235-I239 WeakPolarHBondContact O-CG1 3.29Å; E235-I239 PolarHBondContact O-N 3.44Å; I239-N241 VanDerWaalsContact C-N 3.3Å; I239-N241 PolarHBondContact O-N 2.94Å; I239-K242 PolarHBondContact O-N 3.21Å; I239-K242 VanDerWaalsContact O-N 3.15Å; I239-F243 VanDerWaalsContact O-CB 3.3Å; I239-F243 WeakPolarHBondContact O-CB 3.35Å; I239-F243 PolarHBondContact O-N 3.24Å; I239-H292 WeakPolarHBondContact CD1-CE1 3.47Å; I239-H292 VanDerWaalsContact CD1-ND1 3.26Å; I239-H292 WeakPolarHBondContact CD1-ND1 3.38Å; I239-H292 WeakPolarHBondContact CD1-NE2 3.48Å; I239-I295 HydrophobicContact CD1-CD1 4.13Å; I239-I295 HydrophobicContact CG1-CD1 3.7Å
240G90.1Very high88Confident1 Ų146.1 Ų46.11%0.0123%0.231CC..Hα-helixtrans-55.6-44.9174.400000112.2S236 I237 F243 V244 Y266S236-G240 WeakPolarHBondContact O-CA 2.94Å; S236-G240 PolarHBondContact O-N 3.26Å; I237-G240 PolarHBondContact O-N 3.28Å; G240-F243 WeakPolarHBondContact O-CB 3.36Å; G240-F243 PolarHBondContact O-N 3.49Å; G240-V244 WeakPolarHBondContact O-CB 3.44Å; G240-V244 VanDerWaalsContact O-CG2 3.25Å; G240-V244 WeakPolarHBondContact O-CG2 3.27Å; G240-V244 PolarHBondContact O-N 2.84Å; G240-Y266 VanDerWaalsContact CA-CD1 3.5Å
241N90.3Very high87.4Confident57 Ų5743 Ų4331%0.30522%0.216SC..Hα-helixtrans-60.5-46.6174.9-75.6-54.2000112.2I237 I239 F243 V244 Q245 Y266I237-N241 PolarHBondContact O-N 3.14Å; I237-N241 PolarHBondContact O-ND2 3.25Å; I239-N241 VanDerWaalsContact C-N 3.3Å; I239-N241 PolarHBondContact O-N 2.94Å; N241-F243 VanDerWaalsContact C-N 3.3Å; N241-F243 PolarHBondContact O-N 2.82Å; N241-V244 PolarHBondContact O-N 2.81Å; N241-Q245 WeakPolarHBondContact O-CB 3.46Å; N241-Q245 VanDerWaalsContact O-CG 3.26Å; N241-Q245 WeakPolarHBondContact O-CG 3.45Å; N241-Q245 PolarHBondContact O-N 2.95Å; N241-Y266 PolarHBondContact OD1-OH 2.93Å
242K88.1Confident86.9Confident62 Ų6251 Ų5127%0.2725%0.254SS..Hα-helixtrans-61.7-40.2177.1-73-77.1-173.21530111.7L238 I239 Q245 H246 Y291 E294L238-K242 WeakPolarHBondContact O-CG 3.39Å; L238-K242 PolarHBondContact O-N 3.43Å; I239-K242 PolarHBondContact O-N 3.21Å; I239-K242 VanDerWaalsContact O-N 3.15Å; K242-Q245 PolarHBondContact O-N 2.79Å; K242-H246 WeakPolarHBondContact O-CB 3.34Å; K242-H246 PolarHBondContact O-N 2.58Å; K242-Y291 HydrophobicContact CB-CD1 4.31Å; K242-Y291 HydrophobicContact CB-CD2 3.79Å; K242-Y291 HydrophobicContact CB-CE1 4.48Å; K242-Y291 HydrophobicContact CB-CE2 4.01Å; K242-Y291 HydrophobicContact CB-CG 3.97Å; K242-Y291 HydrophobicContact CD-CD1 3.81Å; K242-Y291 HydrophobicContact CD-CE1 3.85Å; K242-Y291 HydrophobicContact CD-CG 4.3Å; K242-Y291 HydrophobicContact CG-CD1 4.12Å; K242-Y291 HydrophobicContact CG-CD2 4.43Å; K242-Y291 HydrophobicContact CG-CE1 4.49Å; K242-Y291 HydrophobicContact CG-CG 4.1Å; K242-E294 IonicContact NZ-OE2 3.54Å; K242-E294 PolarHBondContact NZ-OE2 3.36Å
243F84.9Confident86.2Confident3 Ų359.9 Ų59.91%0.01330%0.295CS..Hα-helixtrans-63.4-50.6179.1-171.8-85.7000111.3L194 F196 L197 I239 G240 N241 Q245 H246 F247 F249 L269 F278 F284 I288L194-F243 HydrophobicContact CD2-CE1 3.74Å; L194-F243 HydrophobicContact CD2-CZ 4.08Å; F196-F243 HydrophobicContact CE1-CZ 4.12Å; F196-F243 HydrophobicContact CZ-CE1 4.45Å; F196-F243 HydrophobicContact CZ-CE2 4.33Å; F196-F243 AromaticContact CZ-CZ 3.63Å; F196-F243 HydrophobicContact CZ-CZ 3.63Å; L197-F243 HydrophobicContact CD1-CE1 4.47Å; L197-F243 HydrophobicContact CD1-CE2 4.13Å; L197-F243 HydrophobicContact CD1-CZ 3.59Å; L197-F243 HydrophobicContact CD2-CE2 4.21Å; L197-F243 HydrophobicContact CD2-CZ 4.1Å; L197-F243 HydrophobicContact CG-CZ 4Å; I239-F243 VanDerWaalsContact O-CB 3.3Å; I239-F243 WeakPolarHBondContact O-CB 3.35Å; I239-F243 PolarHBondContact O-N 3.24Å; G240-F243 WeakPolarHBondContact O-CB 3.36Å; G240-F243 PolarHBondContact O-N 3.49Å; N241-F243 VanDerWaalsContact C-N 3.3Å; N241-F243 PolarHBondContact O-N 2.82Å; F243-Q245 VanDerWaalsContact C-N 3.28Å; F243-Q245 PolarHBondContact O-N 3.25Å; F243-H246 PolarHBondContact O-N 3.06Å; F243-F247 AromaticContact CD1-CD2 3.93Å; F243-F247 HydrophobicContact CD1-CD2 3.93Å; F243-F247 HydrophobicContact CD1-CE2 4.46Å; F243-F247 AromaticContact CD2-CD2 3.95Å; F243-F247 HydrophobicContact CD2-CD2 3.95Å; F243-F247 AromaticContact CD2-CE2 3.68Å; F243-F247 HydrophobicContact CD2-CE2 3.68Å; F243-F247 AromaticContact CE1-CD2 3.66Å; F243-F247 HydrophobicContact CE1-CD2 3.66Å; F243-F247 HydrophobicContact CE1-CE2 4.12Å; F243-F247 AromaticContact CE2-CD2 3.68Å; F243-F247 HydrophobicContact CE2-CD2 3.68Å; F243-F247 AromaticContact CE2-CE2 3.26Å; F243-F247 HydrophobicContact CE2-CE2 3.26Å; F243-F247 HydrophobicContact CE2-CZ 4.25Å; F243-F247 HydrophobicContact CG-CD2 4.05Å; F243-F247 HydrophobicContact CG-CE2 4.25Å; F243-F247 AromaticContact CZ-CD2 3.5Å; F243-F247 HydrophobicContact CZ-CD2 3.5Å; F243-F247 AromaticContact CZ-CE2 3.49Å; F243-F247 HydrophobicContact CZ-CE2 3.49Å; F243-F247 VanDerWaalsContact CZ-CE2 3.49Å; F243-F247 HydrophobicContact CZ-CG 4.47Å; F243-F247 HydrophobicContact CZ-CZ 4.43Å; F243-F247 WeakPolarHBondContact O-CD2 3.37Å; F243-F247 PolarHBondContact O-N 2.9Å; F243-F249 HydrophobicContact CD1-CE2 4.01Å; F243-F249 HydrophobicContact CD1-CZ 4.17Å; F243-F249 HydrophobicContact CE1-CE1 4.22Å; F243-F249 AromaticContact CE1-CE2 3.61Å; F243-F249 HydrophobicContact CE1-CE2 3.61Å; F243-F249 AromaticContact CE1-CZ 3.41Å; F243-F249 HydrophobicContact CE1-CZ 3.41Å; F243-F249 VanDerWaalsContact CE1-CZ 3.41Å; F243-F249 HydrophobicContact CZ-CZ 4.31Å; F243-L269 HydrophobicContact CB-CD1 4.19Å; F243-L269 HydrophobicContact CD1-CD1 3.66Å; F243-L269 HydrophobicContact CD1-CD2 3.81Å; F243-L269 HydrophobicContact CD1-CG 4.42Å; F243-L269 HydrophobicContact CD2-CD2 4.35Å; F243-L269 HydrophobicContact CE1-CD1 4.28Å; F243-L269 HydrophobicContact CE1-CD2 3.62Å; F243-L269 HydrophobicContact CE2-CD2 4.19Å; F243-L269 HydrophobicContact CG-CD1 3.99Å; F243-L269 HydrophobicContact CG-CD2 4.18Å; F243-L269 HydrophobicContact CZ-CD2 3.86Å; F243-F278 HydrophobicContact CE2-CE2 4.31Å; F243-F278 HydrophobicContact CE2-CZ 4.32Å; F243-F284 HydrophobicContact CD2-CE2 4.24Å; F243-F284 HydrophobicContact CD2-CZ 4.2Å; F243-F284 AromaticContact CE2-CE2 3.77Å; F243-F284 HydrophobicContact CE2-CE2 3.77Å; F243-F284 AromaticContact CE2-CZ 3.65Å; F243-F284 HydrophobicContact CE2-CZ 3.65Å; F243-I288 HydrophobicContact CD2-CD1 4.23Å
244V84.5Confident85.6Confident4 Ų460.7 Ų60.72%0.02430%0.299CS..Hα-helixtrans-58.2-40.9177.2167.60000111.6G240 N241 H248 F249 I250 Y258 L265 Y266G240-V244 WeakPolarHBondContact O-CB 3.44Å; G240-V244 VanDerWaalsContact O-CG2 3.25Å; G240-V244 WeakPolarHBondContact O-CG2 3.27Å; G240-V244 PolarHBondContact O-N 2.84Å; N241-V244 PolarHBondContact O-N 2.81Å; V244-H248 PolarHBondContact O-N 2.81Å; V244-F249 HydrophobicContact CB-CB 4.42Å; V244-F249 HydrophobicContact CG1-CB 3.97Å; V244-F249 HydrophobicContact CG2-CD2 4.11Å; V244-F249 PolarHBondContact O-N 3.26Å; V244-F249 VanDerWaalsContact O-N 3.09Å; V244-I250 HydrophobicContact CG1-CD1 3.63Å; V244-I250 HydrophobicContact CG1-CG1 3.56Å; V244-Y258 HydrophobicContact CB-CE2 4.43Å; V244-Y258 HydrophobicContact CG1-CE1 4.42Å; V244-Y258 HydrophobicContact CG1-CE2 3.85Å; V244-Y258 HydrophobicContact CG2-CE2 3.71Å; V244-L265 HydrophobicContact CG2-CD2 3.87Å; V244-Y266 HydrophobicContact CG2-CE1 4.04Å
245Q83.4Confident85.3Confident130 Ų13059.2 Ų59.261%0.60729%0.291SS*.Hα-helixtrans-65.5-48.3176-73.3171.97.200111.9N241 K242 F243 F247 H248N241-Q245 WeakPolarHBondContact O-CB 3.46Å; N241-Q245 VanDerWaalsContact O-CG 3.26Å; N241-Q245 WeakPolarHBondContact O-CG 3.45Å; N241-Q245 PolarHBondContact O-N 2.95Å; K242-Q245 PolarHBondContact O-N 2.79Å; F243-Q245 VanDerWaalsContact C-N 3.28Å; F243-Q245 PolarHBondContact O-N 3.25Å; Q245-F247 PolarHBondContact O-N 2.8Å; Q245-H248 PolarHBondContact O-N 2.99Å
246H81.4Confident84.9Confident63 Ų6362.5 Ų62.529%0.29232%0.315SS..Hα-helixtrans-60.3-46.4-177.3-179.180.8000111.9K242 F243 H248 E287K242-H246 WeakPolarHBondContact O-CB 3.34Å; K242-H246 PolarHBondContact O-N 2.58Å; F243-H246 PolarHBondContact O-N 3.06Å; H246-H248 VanDerWaalsContact C-N 3.29Å; H246-H248 PolarHBondContact O-CE1 2.75Å; H246-H248 PolarHBondContact O-N 2.64Å; H246-H248 PolarHBondContact O-ND1 2.93Å; H246-E287 IonicContact CE1-OE1 2.76Å; H246-E287 PolarHBondContact CE1-OE1 2.96Å; H246-E287 IonicContact CE1-OE2 2.81Å; H246-E287 PolarHBondContact CE1-OE2 3.14Å; H246-E287 IonicContact CG-OE1 2.7Å; H246-E287 VanDerWaalsContact ND1-CD 3.27Å; H246-E287 IonicContact ND1-OE1 3.84Å; H246-E287 PolarHBondContact ND1-OE1 3.41Å; H246-E287 IonicContact ND1-OE2 2.79Å; H246-E287 PolarHBondContact ND1-OE2 2.82Å; H246-E287 IonicContact NE2-OE1 2.7Å; H246-E287 IonicContact NE2-OE2 2.76Å; H246-E287 PolarHBondContact NE2-OE2 3.06Å
247F79.9Confident84.4Confident54 Ų5463.9 Ų63.924%0.23733%0.326CS..THydrogen-bonded Turntrans-887.2-177.9-67-73.4000114.2F196 F243 Q245 F249 F284F196-F247 HydrophobicContact CD2-CE1 4.16Å; F196-F247 AromaticContact CE1-CD1 3.78Å; F196-F247 HydrophobicContact CE1-CD1 3.78Å; F196-F247 HydrophobicContact CE1-CD2 4.29Å; F196-F247 HydrophobicContact CE1-CE1 4.01Å; F196-F247 AromaticContact CE1-CG 3.94Å; F196-F247 HydrophobicContact CE1-CG 3.94Å; F196-F247 HydrophobicContact CE1-CZ 4.37Å; F196-F247 AromaticContact CE2-CD1 3.93Å; F196-F247 HydrophobicContact CE2-CD1 3.93Å; F196-F247 AromaticContact CE2-CE1 3.28Å; F196-F247 HydrophobicContact CE2-CE1 3.28Å; F196-F247 HydrophobicContact CE2-CE2 4.16Å; F196-F247 AromaticContact CE2-CZ 3.42Å; F196-F247 HydrophobicContact CE2-CZ 3.42Å; F196-F247 VanDerWaalsContact CE2-CZ 3.42Å; F196-F247 AromaticContact CZ-CD1 3.41Å; F196-F247 HydrophobicContact CZ-CD1 3.41Å; F196-F247 VanDerWaalsContact CZ-CD1 3.41Å; F196-F247 AromaticContact CZ-CD2 3.74Å; F196-F247 HydrophobicContact CZ-CD2 3.74Å; F196-F247 AromaticContact CZ-CE1 3.18Å; F196-F247 HydrophobicContact CZ-CE1 3.18Å; F196-F247 AromaticContact CZ-CE2 3.55Å; F196-F247 HydrophobicContact CZ-CE2 3.55Å; F196-F247 AromaticContact CZ-CG 3.69Å; F196-F247 HydrophobicContact CZ-CG 3.69Å; F196-F247 AromaticContact CZ-CZ 3.26Å; F196-F247 HydrophobicContact CZ-CZ 3.26Å; F243-F247 AromaticContact CD1-CD2 3.93Å; F243-F247 HydrophobicContact CD1-CD2 3.93Å; F243-F247 HydrophobicContact CD1-CE2 4.46Å; F243-F247 AromaticContact CD2-CD2 3.95Å; F243-F247 HydrophobicContact CD2-CD2 3.95Å; F243-F247 AromaticContact CD2-CE2 3.68Å; F243-F247 HydrophobicContact CD2-CE2 3.68Å; F243-F247 AromaticContact CE1-CD2 3.66Å; F243-F247 HydrophobicContact CE1-CD2 3.66Å; F243-F247 HydrophobicContact CE1-CE2 4.12Å; F243-F247 AromaticContact CE2-CD2 3.68Å; F243-F247 HydrophobicContact CE2-CD2 3.68Å; F243-F247 AromaticContact CE2-CE2 3.26Å; F243-F247 HydrophobicContact CE2-CE2 3.26Å; F243-F247 HydrophobicContact CE2-CZ 4.25Å; F243-F247 HydrophobicContact CG-CD2 4.05Å; F243-F247 HydrophobicContact CG-CE2 4.25Å; F243-F247 AromaticContact CZ-CD2 3.5Å; F243-F247 HydrophobicContact CZ-CD2 3.5Å; F243-F247 AromaticContact CZ-CE2 3.49Å; F243-F247 HydrophobicContact CZ-CE2 3.49Å; F243-F247 VanDerWaalsContact CZ-CE2 3.49Å; F243-F247 HydrophobicContact CZ-CG 4.47Å; F243-F247 HydrophobicContact CZ-CZ 4.43Å; F243-F247 WeakPolarHBondContact O-CD2 3.37Å; F243-F247 PolarHBondContact O-N 2.9Å; Q245-F247 PolarHBondContact O-N 2.8Å; F247-F249 HydrophobicContact CB-CD1 3.36Å; F247-F249 HydrophobicContact CB-CE1 3.26Å; F247-F249 HydrophobicContact CB-CG 4.43Å; F247-F249 HydrophobicContact CB-CZ 4.25Å; F247-F249 HydrophobicContact CG-CE1 4.05Å; F247-F249 PolarHBondContact O-N 3.06Å; F247-F284 HydrophobicContact CE2-CD2 4.29Å; F247-F284 AromaticContact CE2-CE2 3.69Å; F247-F284 HydrophobicContact CE2-CE2 3.69Å; F247-F284 AromaticContact CZ-CD2 3.79Å; F247-F284 HydrophobicContact CZ-CD2 3.79Å; F247-F284 AromaticContact CZ-CE2 3.65Å; F247-F284 HydrophobicContact CZ-CE2 3.65Å
248H80Confident83.9Confident151 Ų15163.7 Ų63.770%0.69932%0.324SS*.THydrogen-bonded Turntrans50.344.1179.1-57.676.8000112.2V244 Q245 H246 I250V244-H248 PolarHBondContact O-N 2.81Å; Q245-H248 PolarHBondContact O-N 2.99Å; H246-H248 VanDerWaalsContact C-N 3.29Å; H246-H248 PolarHBondContact O-CE1 2.75Å; H246-H248 PolarHBondContact O-N 2.64Å; H246-H248 PolarHBondContact O-ND1 2.93Å; H248-I250 PolarHBondContact O-N 3.18Å
249F77.5Confident83.5Confident4 Ų462.8 Ų62.82%0.01833%0.326CS..  trans-63.2-30.4-174.3-88.917.5000113.3K193 L194 F196 F243 V244 F247 N254 L265K193-F249 HydrophobicContact CB-CD1 4.06Å; K193-F249 HydrophobicContact CB-CD2 4.11Å; K193-F249 HydrophobicContact CB-CE1 3.77Å; K193-F249 HydrophobicContact CB-CE2 3.84Å; K193-F249 HydrophobicContact CB-CG 4.19Å; K193-F249 HydrophobicContact CB-CZ 3.65Å; K193-F249 HydrophobicContact CD-CD1 4.36Å; K193-F249 HydrophobicContact CG-CD1 4.4Å; K193-F249 HydrophobicContact CG-CG 4.4Å; K193-F249 VanDerWaalsContact O-CE1 3.27Å; K193-F249 WeakPolarHBondContact O-CE1 3.18Å; K193-F249 WeakPolarHBondContact O-CZ 3.24Å; L194-F249 HydrophobicContact CD2-CE2 3.74Å; L194-F249 HydrophobicContact CD2-CZ 3.63Å; L194-F249 HydrophobicContact CG-CE2 4.31Å; L194-F249 HydrophobicContact CG-CZ 4.31Å; F196-F249 HydrophobicContact CE1-CE1 4.07Å; F196-F249 HydrophobicContact CE1-CZ 4.11Å; F243-F249 HydrophobicContact CD1-CE2 4.01Å; F243-F249 HydrophobicContact CD1-CZ 4.17Å; F243-F249 HydrophobicContact CE1-CE1 4.22Å; F243-F249 AromaticContact CE1-CE2 3.61Å; F243-F249 HydrophobicContact CE1-CE2 3.61Å; F243-F249 AromaticContact CE1-CZ 3.41Å; F243-F249 HydrophobicContact CE1-CZ 3.41Å; F243-F249 VanDerWaalsContact CE1-CZ 3.41Å; F243-F249 HydrophobicContact CZ-CZ 4.31Å; V244-F249 HydrophobicContact CB-CB 4.42Å; V244-F249 HydrophobicContact CG1-CB 3.97Å; V244-F249 HydrophobicContact CG2-CD2 4.11Å; V244-F249 PolarHBondContact O-N 3.26Å; V244-F249 VanDerWaalsContact O-N 3.09Å; F247-F249 HydrophobicContact CB-CD1 3.36Å; F247-F249 HydrophobicContact CB-CE1 3.26Å; F247-F249 HydrophobicContact CB-CG 4.43Å; F247-F249 HydrophobicContact CB-CZ 4.25Å; F247-F249 HydrophobicContact CG-CE1 4.05Å; F247-F249 PolarHBondContact O-N 3.06Å; F249-N254 PolarHBondContact O-ND2 3.3Å; F249-L265 HydrophobicContact CD2-CD2 4.05Å; F249-L265 HydrophobicContact CE2-CD2 4.33Å
250I79.1Confident83.3Confident75 Ų7567.7 Ų67.739%0.38535%0.353SS..  trans-88.7119.3-176.3-49.7173.4000109.1V244 H248 N254 V255 Y258V244-I250 HydrophobicContact CG1-CD1 3.63Å; V244-I250 HydrophobicContact CG1-CG1 3.56Å; H248-I250 PolarHBondContact O-N 3.18Å; I250-N254 WeakPolarHBondContact CA-OD1 3.35Å; I250-V255 HydrophobicContact CG2-CB 3.89Å; I250-V255 HydrophobicContact CG2-CG2 3.79Å; I250-Y258 HydrophobicContact CD1-CD1 3.54Å; I250-Y258 HydrophobicContact CD1-CE1 3.27Å; I250-Y258 HydrophobicContact CD1-CG 4.34Å; I250-Y258 HydrophobicContact CG1-CD1 3.68Å; I250-Y258 HydrophobicContact CG1-CD2 4.47Å; I250-Y258 HydrophobicContact CG1-CE1 3.84Å; I250-Y258 HydrophobicContact CG1-CG 4.01Å
251T81.1Confident83.2Confident54 Ų5467.8 Ų67.833%0.33135%0.353SS..  trans-113.7167167.566.90000109.1E253 N254 V255T251-E253 PolarHBondContact O-N 3.4Å; T251-E253 PolarHBondContact OG1-N 3.47Å; T251-N254 PolarHBondContact N-OD1 3.28Å; T251-N254 PolarHBondContact O-N 3.38Å; T251-N254 PolarHBondContact O-OD1 2.95Å; T251-N254 PolarHBondContact OG1-N 2.9Å; T251-N254 PolarHBondContact OG1-ND2 2.94Å; T251-V255 PolarHBondContact O-N 3.05Å; T251-V255 VanDerWaalsContact O-N 3.13Å
252E82.4Confident83.3Confident192 Ų19268.6 Ų68.690%0.89735%0.354SS*.THydrogen-bonded Turntrans-57.2-32.8173.4-69.3-174.2169.100112.1
253E80.9Confident83.6Confident191 Ų19167 Ų6789%0.89335%0.348SS*.THydrogen-bonded Turntrans-73-26-177.5-62.9177.9172.700113.5T251T251-E253 PolarHBondContact O-N 3.4Å; T251-E253 PolarHBondContact OG1-N 3.47Å
254N81.8Confident84Confident20 Ų2067 Ų6711%0.10735%0.348CS..THydrogen-bonded Turntrans-118.2-0.5-172.473.517.8000114.8F189 F249 I250 T251 S256 A257 Y258F189-N254 HydrophobicContact CD2-CB 4.3Å; F189-N254 HydrophobicContact CE2-CB 4.38Å; F189-N254 WeakPolarHBondContact CE2-ND2 3.24Å; F249-N254 PolarHBondContact O-ND2 3.3Å; I250-N254 WeakPolarHBondContact CA-OD1 3.35Å; T251-N254 PolarHBondContact N-OD1 3.28Å; T251-N254 PolarHBondContact O-N 3.38Å; T251-N254 PolarHBondContact O-OD1 2.95Å; T251-N254 PolarHBondContact OG1-N 2.9Å; T251-N254 PolarHBondContact OG1-ND2 2.94Å; N254-S256 VanDerWaalsContact C-N 3.27Å; N254-S256 PolarHBondContact O-N 2.87Å; N254-A257 PolarHBondContact O-N 3.34Å; N254-A257 VanDerWaalsContact O-N 3.08Å; N254-Y258 PolarHBondContact O-N 3.45Å
255V83.7Confident84.3Confident75 Ų7566.8 Ų66.846%0.45535%0.347SS..Hα-helixtrans-55.9-38.2-173.668.40000113.5I250 T251 A259I250-V255 HydrophobicContact CG2-CB 3.89Å; I250-V255 HydrophobicContact CG2-CG2 3.79Å; T251-V255 PolarHBondContact O-N 3.05Å; T251-V255 VanDerWaalsContact O-N 3.13Å; V255-A259 VanDerWaalsContact O-CB 3.31Å; V255-A259 WeakPolarHBondContact O-CB 3.38Å; V255-A259 PolarHBondContact O-N 3.44Å
256S82.7Confident84.8Confident79 Ų7960.7 Ų60.755%0.55232%0.318SS*.Hα-helixtrans-71.6-40.8178.6-171.80000112.3N254 A259 N260N254-S256 VanDerWaalsContact C-N 3.27Å; N254-S256 PolarHBondContact O-N 2.87Å; S256-A259 PolarHBondContact O-N 3.12Å; S256-N260 PolarHBondContact O-N 3.42Å; S256-N260 PolarHBondContact O-ND2 3.31Å
257A81.3Confident85.3Confident29 Ų2957.7 Ų57.724%0.2430%0.304CS..Hα-helixtrans-64.2-45.3176.800000110N254 A259 N260 F261N254-A257 PolarHBondContact O-N 3.34Å; N254-A257 VanDerWaalsContact O-N 3.08Å; A257-A259 PolarHBondContact O-N 3.41Å; A257-N260 PolarHBondContact O-N 2.99Å; A257-F261 WeakPolarHBondContact O-CB 3.37Å; A257-F261 PolarHBondContact O-N 3.29Å
258Y84.5Confident85.9Confident21 Ų2155.1 Ų55.18%0.08229%0.293CS..Hα-helixtrans-59.7-46.4174.1168.6-101.7000112.2F189 V244 I250 N254 N260 F261 K262 L265 Y266F189-Y258 HydrophobicContact CZ-CD2 4.4Å; V244-Y258 HydrophobicContact CB-CE2 4.43Å; V244-Y258 HydrophobicContact CG1-CE1 4.42Å; V244-Y258 HydrophobicContact CG1-CE2 3.85Å; V244-Y258 HydrophobicContact CG2-CE2 3.71Å; I250-Y258 HydrophobicContact CD1-CD1 3.54Å; I250-Y258 HydrophobicContact CD1-CE1 3.27Å; I250-Y258 HydrophobicContact CD1-CG 4.34Å; I250-Y258 HydrophobicContact CG1-CD1 3.68Å; I250-Y258 HydrophobicContact CG1-CD2 4.47Å; I250-Y258 HydrophobicContact CG1-CE1 3.84Å; I250-Y258 HydrophobicContact CG1-CG 4.01Å; N254-Y258 PolarHBondContact O-N 3.45Å; Y258-N260 PolarHBondContact O-N 2.66Å; Y258-F261 PolarHBondContact O-N 3.1Å; Y258-F261 VanDerWaalsContact O-N 3.12Å; Y258-K262 HydrophobicContact CD2-CB 4.15Å; Y258-K262 HydrophobicContact CE1-CB 4.36Å; Y258-K262 HydrophobicContact CE2-CB 3.63Å; Y258-K262 WeakPolarHBondContact O-CA 3.22Å; Y258-K262 VanDerWaalsContact O-CB 3.3Å; Y258-K262 WeakPolarHBondContact O-CB 3.37Å; Y258-K262 PolarHBondContact O-N 3.39Å; Y258-L265 HydrophobicContact CD2-CD2 4.32Å; Y258-L265 HydrophobicContact CE2-CD2 4.12Å; Y258-Y266 PolarHBondContact OH-OH 2.88Å
259A86.1Confident86.3Confident51 Ų5148 Ų4842%0.42126%0.26SS..Hα-helixtrans-58.5-36.2-178.500000113V255 S256 A257V255-A259 VanDerWaalsContact O-CB 3.31Å; V255-A259 WeakPolarHBondContact O-CB 3.38Å; V255-A259 PolarHBondContact O-N 3.44Å; S256-A259 PolarHBondContact O-N 3.12Å; A257-A259 PolarHBondContact O-N 3.41Å
260N85.6Confident87Confident106 Ų10647.9 Ų47.957%0.56726%0.26SS*.Hα-helixtrans-81.1-26.2178.8-65-18.1000113.2Y221 S256 A257 Y258Y221-N260 WeakPolarHBondContact OH-CB 3.14Å; S256-N260 PolarHBondContact O-N 3.42Å; S256-N260 PolarHBondContact O-ND2 3.31Å; A257-N260 PolarHBondContact O-N 2.99Å; Y258-N260 PolarHBondContact O-N 2.66Å
261F88.7Confident87.6Confident3 Ų344.3 Ų44.31%0.01324%0.241CC..Hα-helixtrans-112.4-1.3-170.2-164.5-99.9000114.1E186 I190 T217 L218 Y221 A257 Y258 D263 E264 L265 M268E186-F261 HydrophobicContact CB-CD2 4.35Å; E186-F261 HydrophobicContact CB-CE2 4.32Å; E186-F261 HydrophobicContact CG-CD2 3.98Å; E186-F261 HydrophobicContact CG-CE2 4.39Å; E186-F261 HydrophobicContact CG-CG 4.25Å; I190-F261 HydrophobicContact CD1-CE1 3.47Å; I190-F261 VanDerWaalsContact CD1-CE1 3.47Å; I190-F261 HydrophobicContact CD1-CZ 3.62Å; I190-F261 HydrophobicContact CG1-CE1 3.79Å; I190-F261 HydrophobicContact CG1-CZ 4.43Å; T217-F261 HydrophobicContact CG2-CZ 4.1Å; L218-F261 HydrophobicContact CD2-CE2 3.81Å; L218-F261 HydrophobicContact CD2-CZ 3.86Å; Y221-F261 AromaticContact CD1-CD2 4Å; Y221-F261 HydrophobicContact CD1-CD2 4Å; Y221-F261 HydrophobicContact CD1-CE2 4.06Å; Y221-F261 HydrophobicContact CD2-CD2 4.15Å; Y221-F261 HydrophobicContact CD2-CE2 4.42Å; Y221-F261 AromaticContact CE1-CD2 3.94Å; Y221-F261 HydrophobicContact CE1-CD2 3.94Å; Y221-F261 HydrophobicContact CE1-CE2 4.45Å; Y221-F261 HydrophobicContact CE2-CD2 4.1Å; Y221-F261 HydrophobicContact CG-CD2 4.1Å; Y221-F261 HydrophobicContact CG-CE2 4.04Å; Y221-F261 AromaticContact CZ-CD2 4Å; A257-F261 WeakPolarHBondContact O-CB 3.37Å; A257-F261 PolarHBondContact O-N 3.29Å; Y258-F261 PolarHBondContact O-N 3.1Å; Y258-F261 VanDerWaalsContact O-N 3.12Å; F261-D263 VanDerWaalsContact C-N 3.3Å; F261-D263 PolarHBondContact O-N 3.14Å; F261-E264 HydrophobicContact CD1-CB 3.97Å; F261-E264 HydrophobicContact CD2-CB 3.83Å; F261-E264 HydrophobicContact CD2-CG 3.6Å; F261-E264 HydrophobicContact CE1-CB 3.68Å; F261-E264 HydrophobicContact CE2-CB 3.55Å; F261-E264 HydrophobicContact CE2-CG 3.57Å; F261-E264 HydrophobicContact CG-CB 4.02Å; F261-E264 HydrophobicContact CG-CG 4.11Å; F261-E264 HydrophobicContact CZ-CB 3.46Å; F261-E264 VanDerWaalsContact CZ-CB 3.46Å; F261-E264 HydrophobicContact CZ-CG 4.06Å; F261-E264 VanDerWaalsContact O-CB 3.29Å; F261-E264 WeakPolarHBondContact O-CB 3.32Å; F261-E264 PolarHBondContact O-N 2.59Å; F261-E264 VanDerWaalsContact O-N 3.1Å; F261-L265 PolarHBondContact O-N 3.19Å; F261-M268 HydrophobicContact CE1-CE 3.5Å; F261-M268 VanDerWaalsContact CE1-CE 3.5Å; F261-M268 HydrophobicContact CZ-CE 3.82Å
262K91Very high87.9Confident74 Ų7441.9 Ų41.932%0.32223%0.226SC..Hα-helixtrans-57.4-37.7-173.565.1-176.6-177.3178.40113.8Y258 E264 L265 Y266Y258-K262 HydrophobicContact CD2-CB 4.15Å; Y258-K262 HydrophobicContact CE1-CB 4.36Å; Y258-K262 HydrophobicContact CE2-CB 3.63Å; Y258-K262 WeakPolarHBondContact O-CA 3.22Å; Y258-K262 VanDerWaalsContact O-CB 3.3Å; Y258-K262 WeakPolarHBondContact O-CB 3.37Å; Y258-K262 PolarHBondContact O-N 3.39Å; K262-E264 VanDerWaalsContact C-N 3.28Å; K262-E264 PolarHBondContact O-N 3.02Å; K262-L265 WeakPolarHBondContact O-CB 3.27Å; K262-L265 PolarHBondContact O-N 3.34Å; K262-Y266 HydrophobicContact CB-CE2 4.35Å; K262-Y266 HydrophobicContact CG-CE2 4.49Å; K262-Y266 VanDerWaalsContact O-CD1 3.23Å; K262-Y266 WeakPolarHBondContact O-CD1 3.49Å; K262-Y266 WeakPolarHBondContact O-CD2 3.2Å; K262-Y266 PolarHBondContact O-N 2.89Å
263D94.4Very high88.2Confident27 Ų2732.9 Ų32.914%0.14418%0.184CC..Hα-helixtrans-70.2-33.7-177.5-64.4-46000110I227 N229 L232 F261 Y266 F267I227-D263 HydrophobicContact CG2-CB 4.41Å; N229-D263 PolarHBondContact ND2-OD1 3.42Å; L232-D263 HydrophobicContact CD1-CB 4.03Å; F261-D263 VanDerWaalsContact C-N 3.3Å; F261-D263 PolarHBondContact O-N 3.14Å; D263-Y266 PolarHBondContact O-N 2.82Å; D263-F267 PolarHBondContact O-N 2.94Å
264E93.8Very high88.6Confident3 Ų323.8 Ų23.81%0.01414%0.141CC..Hα-helixtrans-64.4-44.5171.1-44.8-61.8-163.100111.8R161 T217 Y221 P226 I227 F261 K262 Y266 F267 M268R161-E264 IonicContact CZ-OE1 2.9Å; R161-E264 IonicContact CZ-OE2 2.66Å; R161-E264 VanDerWaalsContact CZ-OE2 3.25Å; R161-E264 IonicContact NH1-OE1 2.75Å; R161-E264 IonicContact NH1-OE2 2.94Å; R161-E264 PolarHBondContact NH1-OE2 3Å; R161-E264 VanDerWaalsContact NH2-CD 3.32Å; R161-E264 IonicContact NH2-OE1 2.84Å; R161-E264 PolarHBondContact NH2-OE1 3.02Å; R161-E264 IonicContact NH2-OE2 3.29Å; R161-E264 PolarHBondContact NH2-OE2 2.79Å; R161-E264 VanDerWaalsContact NH2-OE2 3.15Å; T217-E264 HydrophobicContact CG2-CB 3.97Å; Y221-E264 HydrophobicContact CD2-CG 3.95Å; Y221-E264 WeakPolarHBondContact CD2-OE1 3.5Å; Y221-E264 HydrophobicContact CE2-CG 4.47Å; P226-E264 VanDerWaalsContact CA-OE1 3.25Å; P226-E264 WeakPolarHBondContact CA-OE1 2.83Å; I227-E264 WeakPolarHBondContact CB-OE2 3.36Å; I227-E264 WeakPolarHBondContact CD1-OE2 3.37Å; I227-E264 WeakPolarHBondContact CG1-OE2 3.44Å; I227-E264 PolarHBondContact N-OE1 3.13Å; F261-E264 HydrophobicContact CD1-CB 3.97Å; F261-E264 HydrophobicContact CD2-CB 3.83Å; F261-E264 HydrophobicContact CD2-CG 3.6Å; F261-E264 HydrophobicContact CE1-CB 3.68Å; F261-E264 HydrophobicContact CE2-CB 3.55Å; F261-E264 HydrophobicContact CE2-CG 3.57Å; F261-E264 HydrophobicContact CG-CB 4.02Å; F261-E264 HydrophobicContact CG-CG 4.11Å; F261-E264 HydrophobicContact CZ-CB 3.46Å; F261-E264 VanDerWaalsContact CZ-CB 3.46Å; F261-E264 HydrophobicContact CZ-CG 4.06Å; F261-E264 VanDerWaalsContact O-CB 3.29Å; F261-E264 WeakPolarHBondContact O-CB 3.32Å; F261-E264 PolarHBondContact O-N 2.59Å; F261-E264 VanDerWaalsContact O-N 3.1Å; K262-E264 VanDerWaalsContact C-N 3.28Å; K262-E264 PolarHBondContact O-N 3.02Å; E264-Y266 VanDerWaalsContact C-N 3.31Å; E264-Y266 PolarHBondContact O-N 2.9Å; E264-F267 PolarHBondContact O-N 2.9Å; E264-M268 WeakPolarHBondContact O-CE 3.4Å; E264-M268 WeakPolarHBondContact O-CG 3.49Å; E264-M268 PolarHBondContact O-N 2.91Å
265L90.9Very high88.9Confident1 Ų123 Ų231%0.00514%0.137CC..Hα-helixtrans-59.4-42.3174-177.366.7000111.5F189 L194 V244 F249 Y258 F261 K262 M268 L269F189-L265 HydrophobicContact CE1-CD2 4.41Å; L194-L265 HydrophobicContact CD1-CD1 3.68Å; L194-L265 HydrophobicContact CG-CD1 4.37Å; V244-L265 HydrophobicContact CG2-CD2 3.87Å; F249-L265 HydrophobicContact CD2-CD2 4.05Å; F249-L265 HydrophobicContact CE2-CD2 4.33Å; Y258-L265 HydrophobicContact CD2-CD2 4.32Å; Y258-L265 HydrophobicContact CE2-CD2 4.12Å; F261-L265 PolarHBondContact O-N 3.19Å; K262-L265 WeakPolarHBondContact O-CB 3.27Å; K262-L265 PolarHBondContact O-N 3.34Å; L265-M268 PolarHBondContact O-N 2.95Å; L265-L269 HydrophobicContact CG-CD1 4.14Å; L265-L269 HydrophobicContact CG-CG 4.48Å; L265-L269 WeakPolarHBondContact O-CB 2.98Å; L265-L269 VanDerWaalsContact O-CG 3.32Å; L265-L269 WeakPolarHBondContact O-CG 3.42Å; L265-L269 PolarHBondContact O-N 2.95Å
266Y93.3Very high88.9Confident2 Ų222.4 Ų22.41%0.00813%0.13CC..Hα-helixtrans-67-40.5-179.7-62.7-13.4000112S236 I237 G240 N241 V244 Y258 K262 D263 E264 L269 L270S236-Y266 PolarHBondContact OG-O 3.01Å; I237-Y266 HydrophobicContact CB-CD2 4.41Å; I237-Y266 HydrophobicContact CG1-CD2 4.35Å; I237-Y266 HydrophobicContact CG2-CD2 4.37Å; I237-Y266 HydrophobicContact CG2-CE2 4.16Å; G240-Y266 VanDerWaalsContact CA-CD1 3.5Å; N241-Y266 PolarHBondContact OD1-OH 2.93Å; V244-Y266 HydrophobicContact CG2-CE1 4.04Å; Y258-Y266 PolarHBondContact OH-OH 2.88Å; K262-Y266 HydrophobicContact CB-CE2 4.35Å; K262-Y266 HydrophobicContact CG-CE2 4.49Å; K262-Y266 VanDerWaalsContact O-CD1 3.23Å; K262-Y266 WeakPolarHBondContact O-CD1 3.49Å; K262-Y266 WeakPolarHBondContact O-CD2 3.2Å; K262-Y266 PolarHBondContact O-N 2.89Å; D263-Y266 PolarHBondContact O-N 2.82Å; E264-Y266 VanDerWaalsContact C-N 3.31Å; E264-Y266 PolarHBondContact O-N 2.9Å; Y266-L269 HydrophobicContact CD1-CD1 4.4Å; Y266-L269 PolarHBondContact O-N 3.44Å; Y266-L270 WeakPolarHBondContact O-CB 3.28Å; Y266-L270 PolarHBondContact O-N 2.92Å
267F93.9Very high88.9Confident0 Ų019.6 Ų19.60%011%0.11CC..Hα-helixtrans-58.5-47171.3172.6-117.4000112.3P158 R161 L162 L213 I227 L232 D263 E264 L269 L270 F271 F337P158-F267 HydrophobicContact CB-CD2 4Å; P158-F267 HydrophobicContact CB-CE2 3.76Å; P158-F267 HydrophobicContact CB-CZ 4.41Å; R161-F267 HydrophobicContact CB-CE1 4.05Å; R161-F267 HydrophobicContact CB-CZ 4.16Å; L162-F267 HydrophobicContact CD1-CE2 4.33Å; L162-F267 HydrophobicContact CD2-CE2 4.34Å; L162-F267 HydrophobicContact CD2-CZ 4.07Å; L162-F267 HydrophobicContact CG-CE2 4.13Å; L162-F267 HydrophobicContact CG-CZ 3.93Å; L213-F267 HydrophobicContact CD1-CE1 3.62Å; L213-F267 HydrophobicContact CD1-CZ 4.04Å; L213-F267 HydrophobicContact CG-CE1 4.48Å; I227-F267 HydrophobicContact CD1-CB 3.52Å; I227-F267 HydrophobicContact CD1-CD1 3.63Å; I227-F267 HydrophobicContact CD1-CD2 4.25Å; I227-F267 HydrophobicContact CD1-CE1 4.38Å; I227-F267 HydrophobicContact CD1-CG 3.54Å; L232-F267 HydrophobicContact CD2-CB 3.98Å; D263-F267 PolarHBondContact O-N 2.94Å; E264-F267 PolarHBondContact O-N 2.9Å; F267-L269 PolarHBondContact O-N 2.84Å; F267-L270 WeakPolarHBondContact O-CB 3.2Å; F267-L270 PolarHBondContact O-N 3.44Å; F267-F271 PolarHBondContact O-N 2.77Å; F267-F337 HydrophobicContact CE2-CE1 4.09Å
268M91Very high89.1Confident0 Ų018.7 Ų18.70%010%0.1CC..Hα-helixtrans-65.6-37.6177.9-71.8-175.2-77.400112.9I190 Y210 L213 V214 T217 F261 E264 L265 L270 F271 L272I190-M268 HydrophobicContact CD1-CE 3.6Å; I190-M268 HydrophobicContact CD1-SD 4.17Å; I190-M268 HydrophobicContact CG1-CE 3.94Å; Y210-M268 HydrophobicContact CE2-CB 4.32Å; L213-M268 HydrophobicContact CD2-CG 4.13Å; L213-M268 HydrophobicContact CG-CG 4.35Å; V214-M268 HydrophobicContact CG2-SD 3.76Å; T217-M268 HydrophobicContact CG2-CE 4.3Å; T217-M268 HydrophobicContact CG2-SD 4.4Å; F261-M268 HydrophobicContact CE1-CE 3.5Å; F261-M268 VanDerWaalsContact CE1-CE 3.5Å; F261-M268 HydrophobicContact CZ-CE 3.82Å; E264-M268 WeakPolarHBondContact O-CE 3.4Å; E264-M268 WeakPolarHBondContact O-CG 3.49Å; E264-M268 PolarHBondContact O-N 2.91Å; L265-M268 PolarHBondContact O-N 2.95Å; M268-L270 VanDerWaalsContact C-N 3.35Å; M268-F271 WeakPolarHBondContact O-CB 3.27Å; M268-F271 PolarHBondContact O-N 3.35Å; M268-L272 WeakPolarHBondContact O-CG 3.43Å; M268-L272 PolarHBondContact O-N 3.05Å
269L89.7Confident89.3Confident2 Ų217.7 Ų17.71%0.0110%0.096CC..Hα-helixtrans-65.1-38.5174-75.2172.6000111.9L194 L197 F243 L265 Y266 F267 F271 L272 Q273L194-L269 HydrophobicContact CD2-CD2 3.76Å; L197-L269 HydrophobicContact CD1-CD2 4.2Å; F243-L269 HydrophobicContact CB-CD1 4.19Å; F243-L269 HydrophobicContact CD1-CD1 3.66Å; F243-L269 HydrophobicContact CD1-CD2 3.81Å; F243-L269 HydrophobicContact CD1-CG 4.42Å; F243-L269 HydrophobicContact CD2-CD2 4.35Å; F243-L269 HydrophobicContact CE1-CD1 4.28Å; F243-L269 HydrophobicContact CE1-CD2 3.62Å; F243-L269 HydrophobicContact CE2-CD2 4.19Å; F243-L269 HydrophobicContact CG-CD1 3.99Å; F243-L269 HydrophobicContact CG-CD2 4.18Å; F243-L269 HydrophobicContact CZ-CD2 3.86Å; L265-L269 HydrophobicContact CG-CD1 4.14Å; L265-L269 HydrophobicContact CG-CG 4.48Å; L265-L269 WeakPolarHBondContact O-CB 2.98Å; L265-L269 VanDerWaalsContact O-CG 3.32Å; L265-L269 WeakPolarHBondContact O-CG 3.42Å; L265-L269 PolarHBondContact O-N 2.95Å; Y266-L269 HydrophobicContact CD1-CD1 4.4Å; Y266-L269 PolarHBondContact O-N 3.44Å; F267-L269 PolarHBondContact O-N 2.84Å; L269-F271 VanDerWaalsContact C-N 3.32Å; L269-L272 PolarHBondContact O-N 3.39Å; L269-Q273 WeakPolarHBondContact O-CG 3.5Å; L269-Q273 PolarHBondContact O-N 3.45Å; L269-Q273 PolarHBondContact O-NE2 3.13Å
270L91.4Very high89.1Confident1 Ų121.8 Ų21.81%0.00510%0.101CC..Hα-helixtrans-64-40173.3-174.567000111.1P233 Y266 F267 M268 L272 Q273 S274 T333 L336 F337P233-L270 HydrophobicContact CG-CD2 4.04Å; Y266-L270 WeakPolarHBondContact O-CB 3.28Å; Y266-L270 PolarHBondContact O-N 2.92Å; F267-L270 WeakPolarHBondContact O-CB 3.2Å; F267-L270 PolarHBondContact O-N 3.44Å; M268-L270 VanDerWaalsContact C-N 3.35Å; L270-L272 PolarHBondContact O-N 3.35Å; L270-Q273 WeakPolarHBondContact O-CB 3.43Å; L270-Q273 PolarHBondContact O-N 3.24Å; L270-S274 PolarHBondContact O-N 2.94Å; L270-T333 HydrophobicContact CD1-CG2 3.86Å; L270-T333 HydrophobicContact CG-CG2 4.37Å; L270-T333 WeakPolarHBondContact O-CG2 3.43Å; L270-L336 HydrophobicContact CD1-CD2 4.17Å; L270-F337 HydrophobicContact CB-CZ 4.07Å; L270-F337 HydrophobicContact CD2-CE1 3.96Å; L270-F337 HydrophobicContact CD2-CE2 4.24Å; L270-F337 HydrophobicContact CD2-CZ 3.77Å; L270-F337 HydrophobicContact CG-CE1 4.28Å; L270-F337 HydrophobicContact CG-CE2 3.78Å; L270-F337 HydrophobicContact CG-CZ 3.57Å; L270-F337 WeakPolarHBondContact O-CE2 3.4Å
271F90.9Very high89Confident0 Ų021 Ų210%010%0.097CC..Hα-helixtrans-61.2-44.9174.6174.4-91.6000111.5L162 L165 Q209 Y210 L213 F267 M268 L269 Q273 S274 F337 P345L162-F271 HydrophobicContact CD2-CD2 4.49Å; L165-F271 HydrophobicContact CD2-CD2 4.24Å; L165-F271 HydrophobicContact CD2-CE2 3.42Å; L165-F271 VanDerWaalsContact CD2-CE2 3.42Å; L165-F271 HydrophobicContact CD2-CZ 3.9Å; Q209-F271 HydrophobicContact CB-CZ 4.4Å; Y210-F271 HydrophobicContact CD2-CD1 4.38Å; L213-F271 HydrophobicContact CD2-CB 3.47Å; L213-F271 VanDerWaalsContact CD2-CB 3.47Å; L213-F271 HydrophobicContact CD2-CD1 3.41Å; L213-F271 VanDerWaalsContact CD2-CD1 3.41Å; L213-F271 HydrophobicContact CD2-CD2 3.79Å; L213-F271 HydrophobicContact CD2-CE1 4.02Å; L213-F271 HydrophobicContact CD2-CE2 4.35Å; L213-F271 HydrophobicContact CD2-CG 3.27Å; L213-F271 HydrophobicContact CD2-CZ 4.45Å; F267-F271 PolarHBondContact O-N 2.77Å; M268-F271 WeakPolarHBondContact O-CB 3.27Å; M268-F271 PolarHBondContact O-N 3.35Å; L269-F271 VanDerWaalsContact C-N 3.32Å; F271-Q273 VanDerWaalsContact C-N 3.31Å; F271-Q273 PolarHBondContact O-N 3.28Å; F271-S274 VanDerWaalsContact O-CB 3.31Å; F271-S274 WeakPolarHBondContact O-CB 3.37Å; F271-S274 PolarHBondContact O-N 3.36Å; F271-S274 PolarHBondContact O-OG 3.3Å; F271-F337 HydrophobicContact CB-CZ 4.21Å; F271-P345 HydrophobicContact CD2-CB 3.52Å; F271-P345 HydrophobicContact CD2-CG 4.21Å; F271-P345 HydrophobicContact CE2-CB 3.32Å; F271-P345 HydrophobicContact CE2-CG 4.39Å; F271-P345 HydrophobicContact CZ-CB 4.47Å
272L87.7Confident88.8Confident2 Ų223.2 Ų23.21%0.0111%0.111CC..Hα-helixtrans-61.8-38.9177.1-71.6173.3000112L197 L198 Y210 M268 L269 L270 S274 K275 F278L197-L272 HydrophobicContact CD1-CD1 3.77Å; L198-L272 HydrophobicContact CD2-CD2 4.05Å; Y210-L272 HydrophobicContact CD2-CD1 4.3Å; Y210-L272 HydrophobicContact CD2-CD2 3.55Å; Y210-L272 HydrophobicContact CD2-CG 3.94Å; Y210-L272 HydrophobicContact CE2-CD1 3.75Å; Y210-L272 HydrophobicContact CE2-CD2 3.88Å; Y210-L272 HydrophobicContact CE2-CG 3.79Å; Y210-L272 HydrophobicContact CG-CD2 4.28Å; M268-L272 WeakPolarHBondContact O-CG 3.43Å; M268-L272 PolarHBondContact O-N 3.05Å; L269-L272 PolarHBondContact O-N 3.39Å; L270-L272 PolarHBondContact O-N 3.35Å; L272-S274 PolarHBondContact O-N 3.25Å; L272-K275 WeakPolarHBondContact O-CB 3.28Å; L272-K275 PolarHBondContact O-N 3.41Å; L272-F278 HydrophobicContact CB-CD2 3.61Å; L272-F278 HydrophobicContact CB-CE2 4.13Å; L272-F278 HydrophobicContact CB-CG 4.32Å; L272-F278 WeakPolarHBondContact O-CB 3.2Å
273Q89.7Confident88.6Confident3 Ų323.5 Ų23.51%0.01412%0.122CC..Hα-helixtrans-59.2-15.8172.5-77.6171.873.900113.9L269 L270 F271 K275 F278 Y279 H292 T333L269-Q273 WeakPolarHBondContact O-CG 3.5Å; L269-Q273 PolarHBondContact O-N 3.45Å; L269-Q273 PolarHBondContact O-NE2 3.13Å; L270-Q273 WeakPolarHBondContact O-CB 3.43Å; L270-Q273 PolarHBondContact O-N 3.24Å; F271-Q273 VanDerWaalsContact C-N 3.31Å; F271-Q273 PolarHBondContact O-N 3.28Å; Q273-K275 VanDerWaalsContact C-N 3.3Å; Q273-F278 HydrophobicContact CB-CD1 4.38Å; Q273-F278 HydrophobicContact CB-CE1 4.4Å; Q273-F278 HydrophobicContact CG-CD1 3.71Å; Q273-F278 HydrophobicContact CG-CE1 3.29Å; Q273-F278 HydrophobicContact CG-CE2 4.37Å; Q273-F278 HydrophobicContact CG-CG 4.4Å; Q273-F278 HydrophobicContact CG-CZ 3.65Å; Q273-Y279 WeakPolarHBondContact CB-OH 3.47Å; Q273-Y279 WeakPolarHBondContact O-CE2 3.45Å; Q273-Y279 PolarHBondContact O-OH 3.2Å; Q273-H292 PolarHBondContact OE1-NE2 3.07Å; Q273-T333 HydrophobicContact CB-CG2 3.86Å; Q273-T333 PolarHBondContact O-OG1 3.43Å
274S89.7Confident88.2Confident0 Ų023.1 Ų23.10%012%0.119CC..THydrogen-bonded Turntrans-87.86.7173.882.10000114.2L270 F271 L272 V330 R334 P345L270-S274 PolarHBondContact O-N 2.94Å; F271-S274 VanDerWaalsContact O-CB 3.31Å; F271-S274 WeakPolarHBondContact O-CB 3.37Å; F271-S274 PolarHBondContact O-N 3.36Å; F271-S274 PolarHBondContact O-OG 3.3Å; L272-S274 PolarHBondContact O-N 3.25Å; S274-V330 VanDerWaalsContact O-CG1 3.23Å; S274-V330 WeakPolarHBondContact O-CG1 3.45Å; S274-R334 PolarHBondContact O-NE 3.19Å; S274-R334 VanDerWaalsContact O-NE 3.07Å; S274-R334 PolarHBondContact O-NH2 3.33Å; S274-P345 WeakPolarHBondContact OG-CG 3.45Å
275K86.2Confident88Confident5 Ų523 Ų232%0.02212%0.119CC..SBendtrans-122.9136.6-178.2-56.6-63.3-174.2170.90110.4T206 L272 Q273 V277 F278 I346T206-K275 HydrophobicContact CG2-CB 4.32Å; T206-K275 HydrophobicContact CG2-CD 4.45Å; T206-K275 HydrophobicContact CG2-CG 4.1Å; L272-K275 WeakPolarHBondContact O-CB 3.28Å; L272-K275 PolarHBondContact O-N 3.41Å; Q273-K275 VanDerWaalsContact C-N 3.3Å; K275-V277 HydrophobicContact CB-CG1 4.08Å; K275-V277 PolarHBondContact O-N 3.13Å; K275-V277 VanDerWaalsContact O-N 3.15Å; K275-F278 WeakPolarHBondContact O-CB 3.48Å; K275-F278 PolarHBondContact O-N 3.44Å; K275-F278 VanDerWaalsContact O-N 3.13Å; K275-I346 PolarHBondContact NZ-O 3.34Å
276M85.3Confident88.1Confident61 Ų6130.3 Ų30.330%0.315%0.146SC..Hα-helixtrans-57.3-33.2-179.5-83.9-61.3-79.600112.9F278 Y279 R280 E323 K326 E327 V330M276-F278 PolarHBondContact O-N 2.94Å; M276-F278 VanDerWaalsContact O-N 3.15Å; M276-Y279 PolarHBondContact O-N 3.38Å; M276-R280 PolarHBondContact O-N 2.84Å; M276-E323 VanDerWaalsContact CE-OE1 3.27Å; M276-E323 WeakPolarHBondContact CE-OE1 3.49Å; M276-K326 HydrophobicContact CE-CB 4.26Å; M276-K326 HydrophobicContact SD-CB 4.4Å; M276-E327 HydrophobicContact CE-CB 4.47Å; M276-E327 HydrophobicContact CE-CG 3.37Å; M276-E327 HydrophobicContact SD-CB 4.18Å; M276-E327 HydrophobicContact SD-CG 3.58Å; M276-E327 VanDerWaalsContact SD-CG 3.58Å; M276-V330 HydrophobicContact CG-CG2 4.14Å; M276-V330 HydrophobicContact SD-CB 4.41Å; M276-V330 HydrophobicContact SD-CG2 3.73Å
277V82.4Confident87.9Confident21 Ų2132.9 Ų32.913%0.12716%0.158CC..Hα-helixtrans-59.9-29.8-178.7710000113.9Q201 I202 T206 K275 Y279 R280Q201-V277 WeakPolarHBondContact O-CG2 3.36Å; I202-V277 HydrophobicContact CB-CG2 4.25Å; I202-V277 HydrophobicContact CD1-CG1 3.83Å; I202-V277 HydrophobicContact CD1-CG2 4.3Å; I202-V277 HydrophobicContact CG1-CB 3.97Å; I202-V277 HydrophobicContact CG1-CG1 3.68Å; I202-V277 HydrophobicContact CG1-CG2 3.28Å; T206-V277 HydrophobicContact CG2-CG1 3.93Å; K275-V277 HydrophobicContact CB-CG1 4.08Å; K275-V277 PolarHBondContact O-N 3.13Å; K275-V277 VanDerWaalsContact O-N 3.15Å; V277-Y279 PolarHBondContact O-N 3.44Å; V277-R280 WeakPolarHBondContact O-CB 3.49Å; V277-R280 PolarHBondContact O-N 2.86Å
278F85.5Confident87.7Confident9 Ų933 Ų334%0.03916%0.159CC..Hα-helixtrans-62.8-33.6178.4-174.2-96.6000111.8L197 F243 L272 Q273 K275 M276 F284 I288L197-F278 HydrophobicContact CD1-CD2 4.12Å; L197-F278 HydrophobicContact CD1-CE2 3.81Å; L197-F278 HydrophobicContact CD2-CD2 4.36Å; L197-F278 HydrophobicContact CD2-CE2 4.24Å; F243-F278 HydrophobicContact CE2-CE2 4.31Å; F243-F278 HydrophobicContact CE2-CZ 4.32Å; L272-F278 HydrophobicContact CB-CD2 3.61Å; L272-F278 HydrophobicContact CB-CE2 4.13Å; L272-F278 HydrophobicContact CB-CG 4.32Å; L272-F278 WeakPolarHBondContact O-CB 3.2Å; Q273-F278 HydrophobicContact CB-CD1 4.38Å; Q273-F278 HydrophobicContact CB-CE1 4.4Å; Q273-F278 HydrophobicContact CG-CD1 3.71Å; Q273-F278 HydrophobicContact CG-CE1 3.29Å; Q273-F278 HydrophobicContact CG-CE2 4.37Å; Q273-F278 HydrophobicContact CG-CG 4.4Å; Q273-F278 HydrophobicContact CG-CZ 3.65Å; K275-F278 WeakPolarHBondContact O-CB 3.48Å; K275-F278 PolarHBondContact O-N 3.44Å; K275-F278 VanDerWaalsContact O-N 3.13Å; M276-F278 PolarHBondContact O-N 2.94Å; M276-F278 VanDerWaalsContact O-N 3.15Å; F278-F284 AromaticContact CD1-CE1 3.9Å; F278-F284 HydrophobicContact CD1-CE1 3.9Å; F278-F284 HydrophobicContact CD2-CE1 4.27Å; F278-F284 AromaticContact CE1-CE1 3.6Å; F278-F284 HydrophobicContact CE1-CE1 3.6Å; F278-F284 AromaticContact CE1-CZ 3.82Å; F278-F284 HydrophobicContact CE1-CZ 3.82Å; F278-F284 HydrophobicContact CE2-CE1 4.04Å; F278-F284 AromaticContact CE2-CZ 3.95Å; F278-F284 HydrophobicContact CE2-CZ 3.95Å; F278-F284 HydrophobicContact CG-CE1 4.24Å; F278-F284 AromaticContact CZ-CE1 3.7Å; F278-F284 HydrophobicContact CZ-CE1 3.7Å; F278-F284 AromaticContact CZ-CZ 3.51Å; F278-F284 HydrophobicContact CZ-CZ 3.51Å; F278-F284 WeakPolarHBondContact O-CD1 3.44Å; F278-F284 WeakPolarHBondContact O-CE1 3.44Å; F278-I288 HydrophobicContact CE1-CG1 4.25Å; F278-I288 HydrophobicContact CE1-CG2 4.33Å
279Y87.7Confident87.8Confident0 Ų035.1 Ų35.10%017%0.168CC..Hα-helixtrans-99.64.3-178.5-53.3-68.3000114.1Q273 M276 V277 N281 F285 I288 K326 Y329 V330Q273-Y279 WeakPolarHBondContact CB-OH 3.47Å; Q273-Y279 WeakPolarHBondContact O-CE2 3.45Å; Q273-Y279 PolarHBondContact O-OH 3.2Å; M276-Y279 PolarHBondContact O-N 3.38Å; V277-Y279 PolarHBondContact O-N 3.44Å; Y279-N281 VanDerWaalsContact C-N 3.3Å; Y279-N281 PolarHBondContact O-N 2.96Å; Y279-F285 AromaticContact CD1-CD2 3.64Å; Y279-F285 HydrophobicContact CD1-CD2 3.64Å; Y279-F285 HydrophobicContact CD1-CE2 4.27Å; Y279-F285 HydrophobicContact CE1-CD2 4.44Å; Y279-F285 HydrophobicContact CG-CD2 4.09Å; Y279-I288 HydrophobicContact CE1-CG2 4.06Å; Y279-K326 WeakPolarHBondContact O-CD 3.23Å; Y279-K326 WeakPolarHBondContact O-CE 3.32Å; Y279-Y329 HydrophobicContact CE1-CD1 4.47Å; Y279-V330 HydrophobicContact CD2-CG2 3.62Å; Y279-V330 HydrophobicContact CE2-CG2 3.59Å
280R81.5Confident88Confident137 Ų13740.8 Ų40.852%0.51719%0.192SC..  trans-60.5-38.6-174.1-167.3175.9-174.8179.31.6112.6Q201 M276 V277 T282Q201-R280 PolarHBondContact O-NH1 3.04Å; M276-R280 PolarHBondContact O-N 2.84Å; V277-R280 WeakPolarHBondContact O-CB 3.49Å; V277-R280 PolarHBondContact O-N 2.86Å; R280-T282 PolarHBondContact O-N 3.31Å
281N83.6Confident88.1Confident89 Ų8942.1 Ų42.148%0.47620%0.198SC..SBendtrans-75.8111.4174.8179.9-57.5000110.3Y279 S283 F284 F285Y279-N281 VanDerWaalsContact C-N 3.3Å; Y279-N281 PolarHBondContact O-N 2.96Å; N281-S283 VanDerWaalsContact C-N 3.35Å; N281-S283 PolarHBondContact O-N 3.14Å; N281-S283 PolarHBondContact OD1-N 3.28Å; N281-S283 PolarHBondContact OD1-OG 3.39Å; N281-F284 HydrophobicContact CB-CB 3.92Å; N281-F284 PolarHBondContact O-N 3.12Å; N281-F284 WeakPolarHBondContact OD1-CB 3.26Å; N281-F284 PolarHBondContact OD1-N 3.27Å; N281-F285 PolarHBondContact O-N 3.18Å
282T86.2Confident88.2Confident50 Ų5042.1 Ų42.131%0.30720%0.198SC..Hα-helixtrans-62-36.2-175.8-50.50000113.7R280 R286R280-T282 PolarHBondContact O-N 3.31Å; T282-R286 WeakPolarHBondContact O-CG 3.4Å; T282-R286 PolarHBondContact O-N 3.1Å
283S86.5Confident88.6Confident80 Ų8045.6 Ų45.656%0.55921%0.214SC*.Hα-helixtrans-65.4-43.6176.341.70000111.8N281 R286 E287N281-S283 VanDerWaalsContact C-N 3.35Å; N281-S283 PolarHBondContact O-N 3.14Å; N281-S283 PolarHBondContact OD1-N 3.28Å; N281-S283 PolarHBondContact OD1-OG 3.39Å; S283-R286 PolarHBondContact O-N 3.49Å; S283-E287 PolarHBondContact O-N 2.87Å
284F85.2Confident88.8Confident19 Ų1950.4 Ų50.48%0.08324%0.236CC..Hα-helixtrans-65.3-43.7176.3175.9-108.8000111.5L197 F243 F247 F278 N281 R286 E287 I288L197-F284 HydrophobicContact CD2-CE1 4.21Å; L197-F284 HydrophobicContact CD2-CZ 4.08Å; F243-F284 HydrophobicContact CD2-CE2 4.24Å; F243-F284 HydrophobicContact CD2-CZ 4.2Å; F243-F284 AromaticContact CE2-CE2 3.77Å; F243-F284 HydrophobicContact CE2-CE2 3.77Å; F243-F284 AromaticContact CE2-CZ 3.65Å; F243-F284 HydrophobicContact CE2-CZ 3.65Å; F247-F284 HydrophobicContact CE2-CD2 4.29Å; F247-F284 AromaticContact CE2-CE2 3.69Å; F247-F284 HydrophobicContact CE2-CE2 3.69Å; F247-F284 AromaticContact CZ-CD2 3.79Å; F247-F284 HydrophobicContact CZ-CD2 3.79Å; F247-F284 AromaticContact CZ-CE2 3.65Å; F247-F284 HydrophobicContact CZ-CE2 3.65Å; F278-F284 AromaticContact CD1-CE1 3.9Å; F278-F284 HydrophobicContact CD1-CE1 3.9Å; F278-F284 HydrophobicContact CD2-CE1 4.27Å; F278-F284 AromaticContact CE1-CE1 3.6Å; F278-F284 HydrophobicContact CE1-CE1 3.6Å; F278-F284 AromaticContact CE1-CZ 3.82Å; F278-F284 HydrophobicContact CE1-CZ 3.82Å; F278-F284 HydrophobicContact CE2-CE1 4.04Å; F278-F284 AromaticContact CE2-CZ 3.95Å; F278-F284 HydrophobicContact CE2-CZ 3.95Å; F278-F284 HydrophobicContact CG-CE1 4.24Å; F278-F284 AromaticContact CZ-CE1 3.7Å; F278-F284 HydrophobicContact CZ-CE1 3.7Å; F278-F284 AromaticContact CZ-CZ 3.51Å; F278-F284 HydrophobicContact CZ-CZ 3.51Å; F278-F284 WeakPolarHBondContact O-CD1 3.44Å; F278-F284 WeakPolarHBondContact O-CE1 3.44Å; N281-F284 HydrophobicContact CB-CB 3.92Å; N281-F284 PolarHBondContact O-N 3.12Å; N281-F284 WeakPolarHBondContact OD1-CB 3.26Å; N281-F284 PolarHBondContact OD1-N 3.27Å; F284-R286 PolarHBondContact O-N 3.47Å; F284-E287 WeakPolarHBondContact O-CB 3.34Å; F284-E287 PolarHBondContact O-N 3.01Å; F284-E287 VanDerWaalsContact O-N 3.12Å; F284-I288 HydrophobicContact CD1-CG1 4.28Å; F284-I288 HydrophobicContact CD2-CG1 4.13Å; F284-I288 HydrophobicContact CE1-CG1 3.72Å; F284-I288 HydrophobicContact CE2-CD1 3.72Å; F284-I288 HydrophobicContact CE2-CG1 3.52Å; F284-I288 HydrophobicContact CG-CG1 4.47Å; F284-I288 HydrophobicContact CZ-CD1 3.64Å; F284-I288 HydrophobicContact CZ-CG1 3.3Å; F284-I288 PolarHBondContact O-N 3.3Å
285F90.3Very high88.9Confident2 Ų252.5 Ų52.51%0.00925%0.247CC..Hα-helixtrans-57.5-46.7175.8171.4-119.9000112.2Y279 N281 E287 I288 K289 E325 K326 Y329Y279-F285 AromaticContact CD1-CD2 3.64Å; Y279-F285 HydrophobicContact CD1-CD2 3.64Å; Y279-F285 HydrophobicContact CD1-CE2 4.27Å; Y279-F285 HydrophobicContact CE1-CD2 4.44Å; Y279-F285 HydrophobicContact CG-CD2 4.09Å; N281-F285 PolarHBondContact O-N 3.18Å; F285-E287 PolarHBondContact O-N 2.94Å; F285-I288 PolarHBondContact O-N 3.42Å; F285-K289 HydrophobicContact CE1-CD 4.42Å; F285-K289 HydrophobicContact CE2-CB 4.42Å; F285-K289 HydrophobicContact CZ-CD 4.26Å; F285-K289 WeakPolarHBondContact O-CB 3.37Å; F285-K289 PolarHBondContact O-N 3.15Å; F285-E325 HydrophobicContact CZ-CB 4.18Å; F285-E325 HydrophobicContact CZ-CG 3.95Å; F285-K326 HydrophobicContact CD1-CD 4.48Å; F285-K326 HydrophobicContact CD1-CG 3.82Å; F285-K326 HydrophobicContact CD2-CG 3.94Å; F285-K326 HydrophobicContact CE1-CG 3.82Å; F285-K326 HydrophobicContact CE2-CG 3.94Å; F285-K326 HydrophobicContact CG-CG 3.87Å; F285-K326 HydrophobicContact CZ-CG 3.87Å; F285-Y329 AromaticContact CE2-CD2 3.78Å; F285-Y329 HydrophobicContact CE2-CD2 3.78Å; F285-Y329 HydrophobicContact CE2-CE2 4.14Å; F285-Y329 HydrophobicContact CE2-CG 4.15Å; F285-Y329 HydrophobicContact CZ-CD2 4.09Å; F285-Y329 HydrophobicContact CZ-CE2 4.27Å
286R91.6Very high89.1Confident153 Ų15356.4 Ų56.458%0.57727%0.268SS*.Hα-helixtrans-58.4-36.3177.5-74.8175.7-170.1153.35.3112.3T282 S283 F284 K290T282-R286 WeakPolarHBondContact O-CG 3.4Å; T282-R286 PolarHBondContact O-N 3.1Å; S283-R286 PolarHBondContact O-N 3.49Å; F284-R286 PolarHBondContact O-N 3.47Å; R286-K290 WeakPolarHBondContact O-CB 3.16Å; R286-K290 PolarHBondContact O-N 3.41Å; R286-K290 VanDerWaalsContact O-N 3.12Å
287E89.4Confident89.5Confident56 Ų5653.7 Ų53.726%0.26226%0.255SS..Hα-helixtrans-72.6-48.8178.6179.5157-160.400112.6H246 S283 F284 F285 K289 K290 Y291H246-E287 IonicContact CE1-OE1 2.76Å; H246-E287 PolarHBondContact CE1-OE1 2.96Å; H246-E287 IonicContact CE1-OE2 2.81Å; H246-E287 PolarHBondContact CE1-OE2 3.14Å; H246-E287 IonicContact CG-OE1 2.7Å; H246-E287 VanDerWaalsContact ND1-CD 3.27Å; H246-E287 IonicContact ND1-OE1 3.84Å; H246-E287 PolarHBondContact ND1-OE1 3.41Å; H246-E287 IonicContact ND1-OE2 2.79Å; H246-E287 PolarHBondContact ND1-OE2 2.82Å; H246-E287 IonicContact NE2-OE1 2.7Å; H246-E287 IonicContact NE2-OE2 2.76Å; H246-E287 PolarHBondContact NE2-OE2 3.06Å; S283-E287 PolarHBondContact O-N 2.87Å; F284-E287 WeakPolarHBondContact O-CB 3.34Å; F284-E287 PolarHBondContact O-N 3.01Å; F284-E287 VanDerWaalsContact O-N 3.12Å; F285-E287 PolarHBondContact O-N 2.94Å; E287-K289 VanDerWaalsContact C-N 3.31Å; E287-K289 PolarHBondContact O-N 3.31Å; E287-K290 WeakPolarHBondContact O-CA 3.5Å; E287-K290 VanDerWaalsContact O-CB 3.25Å; E287-K290 WeakPolarHBondContact O-CB 3.3Å; E287-K290 PolarHBondContact O-N 2.86Å; E287-Y291 HydrophobicContact CG-CD2 4.35Å; E287-Y291 HydrophobicContact CG-CE2 3.6Å; E287-Y291 PolarHBondContact O-N 3.2Å; E287-Y291 PolarHBondContact OE1-OH 3.4Å
288I89.8Confident89.9Confident2 Ų254.9 Ų54.91%0.0126%0.261CS..Hα-helixtrans-59.7-43.9175.4-67.8-59.7000111F243 F278 Y279 F284 F285 K290 Y291 H292F243-I288 HydrophobicContact CD2-CD1 4.23Å; F278-I288 HydrophobicContact CE1-CG1 4.25Å; F278-I288 HydrophobicContact CE1-CG2 4.33Å; Y279-I288 HydrophobicContact CE1-CG2 4.06Å; F284-I288 HydrophobicContact CD1-CG1 4.28Å; F284-I288 HydrophobicContact CD2-CG1 4.13Å; F284-I288 HydrophobicContact CE1-CG1 3.72Å; F284-I288 HydrophobicContact CE2-CD1 3.72Å; F284-I288 HydrophobicContact CE2-CG1 3.52Å; F284-I288 HydrophobicContact CG-CG1 4.47Å; F284-I288 HydrophobicContact CZ-CD1 3.64Å; F284-I288 HydrophobicContact CZ-CG1 3.3Å; F284-I288 PolarHBondContact O-N 3.3Å; F285-I288 PolarHBondContact O-N 3.42Å; I288-K290 PolarHBondContact O-N 3.47Å; I288-Y291 HydrophobicContact CD1-CD2 4.17Å; I288-Y291 WeakPolarHBondContact O-CB 3.28Å; I288-Y291 PolarHBondContact O-N 3.33Å; I288-H292 PolarHBondContact O-CD2 3.34Å; I288-H292 VanDerWaalsContact O-CD2 3.27Å; I288-H292 PolarHBondContact O-N 3.1Å
289K93.5Very high90.3Very high45 Ų4554.4 Ų54.420%0.19626%0.259CS..Hα-helixtrans-53.5-44.1173.1176.7178.5-178.2175.30111.3F285 E287 Y291 H292 Q293 E325 Y329F285-K289 HydrophobicContact CE1-CD 4.42Å; F285-K289 HydrophobicContact CE2-CB 4.42Å; F285-K289 HydrophobicContact CZ-CD 4.26Å; F285-K289 WeakPolarHBondContact O-CB 3.37Å; F285-K289 PolarHBondContact O-N 3.15Å; E287-K289 VanDerWaalsContact C-N 3.31Å; E287-K289 PolarHBondContact O-N 3.31Å; K289-Y291 VanDerWaalsContact C-N 3.32Å; K289-Y291 PolarHBondContact O-N 3.11Å; K289-H292 PolarHBondContact O-N 3.41Å; K289-Q293 WeakPolarHBondContact O-CB 3.42Å; K289-Q293 VanDerWaalsContact O-CG 3.28Å; K289-Q293 WeakPolarHBondContact O-CG 3.33Å; K289-Q293 PolarHBondContact O-N 2.84Å; K289-E325 WeakPolarHBondContact CE-OE1 3.4Å; K289-E325 IonicContact NZ-OE1 2.63Å; K289-E325 PolarHBondContact NZ-OE1 2.85Å; K289-E325 IonicContact NZ-OE2 3.66Å; K289-E325 PolarHBondContact NZ-OE2 2.9Å; K289-Y329 HydrophobicContact CG-CE2 4.48Å
290K93.8Very high90.6Very high121 Ų12156.7 Ų56.753%0.52627%0.268SS..Hα-helixtrans-62.7-39177.5-154.3-175.7-176.2-172.60111.8R286 E287 I288 Q293 E294R286-K290 WeakPolarHBondContact O-CB 3.16Å; R286-K290 PolarHBondContact O-N 3.41Å; R286-K290 VanDerWaalsContact O-N 3.12Å; E287-K290 WeakPolarHBondContact O-CA 3.5Å; E287-K290 VanDerWaalsContact O-CB 3.25Å; E287-K290 WeakPolarHBondContact O-CB 3.3Å; E287-K290 PolarHBondContact O-N 2.86Å; I288-K290 PolarHBondContact O-N 3.47Å; K290-Q293 WeakPolarHBondContact O-CB 3.49Å; K290-Q293 PolarHBondContact O-N 2.95Å; K290-E294 WeakPolarHBondContact O-CB 3.39Å; K290-E294 VanDerWaalsContact O-CG 3.3Å; K290-E294 WeakPolarHBondContact O-CG 3.41Å; K290-E294 PolarHBondContact O-N 3.03Å
291Y92.9Very high91.1Very high30 Ų3053.7 Ų53.712%0.11826%0.259CS..Hα-helixtrans-66.3-43.8174.7-62.2-33.9000112.6K242 E287 I288 K289 Q293 E294 I295K242-Y291 HydrophobicContact CB-CD1 4.31Å; K242-Y291 HydrophobicContact CB-CD2 3.79Å; K242-Y291 HydrophobicContact CB-CE1 4.48Å; K242-Y291 HydrophobicContact CB-CE2 4.01Å; K242-Y291 HydrophobicContact CB-CG 3.97Å; K242-Y291 HydrophobicContact CD-CD1 3.81Å; K242-Y291 HydrophobicContact CD-CE1 3.85Å; K242-Y291 HydrophobicContact CD-CG 4.3Å; K242-Y291 HydrophobicContact CG-CD1 4.12Å; K242-Y291 HydrophobicContact CG-CD2 4.43Å; K242-Y291 HydrophobicContact CG-CE1 4.49Å; K242-Y291 HydrophobicContact CG-CG 4.1Å; E287-Y291 HydrophobicContact CG-CD2 4.35Å; E287-Y291 HydrophobicContact CG-CE2 3.6Å; E287-Y291 PolarHBondContact O-N 3.2Å; E287-Y291 PolarHBondContact OE1-OH 3.4Å; I288-Y291 HydrophobicContact CD1-CD2 4.17Å; I288-Y291 WeakPolarHBondContact O-CB 3.28Å; I288-Y291 PolarHBondContact O-N 3.33Å; K289-Y291 VanDerWaalsContact C-N 3.32Å; K289-Y291 PolarHBondContact O-N 3.11Å; Y291-Q293 VanDerWaalsContact C-N 3.26Å; Y291-Q293 PolarHBondContact O-N 2.99Å; Y291-E294 PolarHBondContact O-N 3.28Å; Y291-I295 WeakPolarHBondContact O-CG1 3.25Å; Y291-I295 PolarHBondContact O-N 2.81Å; Y291-I295 VanDerWaalsContact O-N 3.12Å
292H93.9Very high91.5Very high0 Ų049.4 Ų49.40%024%0.237CC..Hα-helixtrans-59.5-37.6173.2-79.7-89.3000112.5I239 Q273 I288 K289 D296 S297 Y329I239-H292 WeakPolarHBondContact CD1-CE1 3.47Å; I239-H292 VanDerWaalsContact CD1-ND1 3.26Å; I239-H292 WeakPolarHBondContact CD1-ND1 3.38Å; I239-H292 WeakPolarHBondContact CD1-NE2 3.48Å; Q273-H292 PolarHBondContact OE1-NE2 3.07Å; I288-H292 PolarHBondContact O-CD2 3.34Å; I288-H292 VanDerWaalsContact O-CD2 3.27Å; I288-H292 PolarHBondContact O-N 3.1Å; K289-H292 PolarHBondContact O-N 3.41Å; H292-D296 PolarHBondContact O-N 3.46Å; H292-S297 PolarHBondContact ND1-OG 2.8Å; H292-S297 PolarHBondContact O-N 2.91Å; H292-Y329 HydrophobicContact CB-CE1 3.95Å; H292-Y329 AromaticContact CD2-CE1 3.47Å; H292-Y329 VanDerWaalsContact CD2-CE1 3.47Å; H292-Y329 WeakPolarHBondContact CD2-CE1 3.49Å; H292-Y329 AromaticContact CG-CE1 3.64Å; H292-Y329 AromaticContact NE2-CD1 3.94Å; H292-Y329 AromaticContact NE2-CE1 3.81Å
293Q95Very high91.8Very high75 Ų7547 Ų4735%0.3522%0.222SC..Hα-helixtrans-65.6-47.4173.8-75.5174.8-7.500112.3K289 K290 Y291 I295 D296 Y300K289-Q293 WeakPolarHBondContact O-CB 3.42Å; K289-Q293 VanDerWaalsContact O-CG 3.28Å; K289-Q293 WeakPolarHBondContact O-CG 3.33Å; K289-Q293 PolarHBondContact O-N 2.84Å; K290-Q293 WeakPolarHBondContact O-CB 3.49Å; K290-Q293 PolarHBondContact O-N 2.95Å; Y291-Q293 VanDerWaalsContact C-N 3.26Å; Y291-Q293 PolarHBondContact O-N 2.99Å; Q293-I295 VanDerWaalsContact C-N 3.26Å; Q293-I295 PolarHBondContact O-N 3.31Å; Q293-D296 PolarHBondContact O-N 2.9Å; Q293-D296 VanDerWaalsContact O-N 3.15Å; Q293-Y300 HydrophobicContact CG-CD1 4.39Å; Q293-Y300 HydrophobicContact CG-CD2 3.61Å; Q293-Y300 HydrophobicContact CG-CE1 4.13Å; Q293-Y300 HydrophobicContact CG-CE2 3.34Å; Q293-Y300 HydrophobicContact CG-CG 4.14Å
294E94Very high92Very high103 Ų10346 Ų4648%0.48121%0.208SC..Hα-helixtrans-58.7-37.5-179.4-79.8173.5-166.900112.3K242 K290 Y291K242-E294 IonicContact NZ-OE2 3.54Å; K242-E294 PolarHBondContact NZ-OE2 3.36Å; K290-E294 WeakPolarHBondContact O-CB 3.39Å; K290-E294 VanDerWaalsContact O-CG 3.3Å; K290-E294 WeakPolarHBondContact O-CG 3.41Å; K290-E294 PolarHBondContact O-N 3.03Å; Y291-E294 PolarHBondContact O-N 3.28Å
295I92.3Very high92.1Very high45 Ų4546.2 Ų46.223%0.23121%0.209CC..THydrogen-bonded Turntrans-94.11.8-179.373.3178.2000113.5E235 L238 I239 Y291 Q293 S297E235-I295 HydrophobicContact CB-CD1 4.19Å; L238-I295 HydrophobicContact CB-CD1 3.83Å; L238-I295 HydrophobicContact CB-CG2 4.33Å; L238-I295 HydrophobicContact CD1-CB 4.15Å; L238-I295 HydrophobicContact CD1-CD1 4.19Å; L238-I295 HydrophobicContact CD1-CG2 4.25Å; I239-I295 HydrophobicContact CD1-CD1 4.13Å; I239-I295 HydrophobicContact CG1-CD1 3.7Å; Y291-I295 WeakPolarHBondContact O-CG1 3.25Å; Y291-I295 PolarHBondContact O-N 2.81Å; Y291-I295 VanDerWaalsContact O-N 3.12Å; Q293-I295 VanDerWaalsContact C-N 3.26Å; Q293-I295 PolarHBondContact O-N 3.31Å; I295-S297 VanDerWaalsContact C-N 3.27Å; I295-S297 PolarHBondContact O-N 3.32Å
296D91.7Very high92Very high86 Ų8646.2 Ų46.246%0.4621%0.209SC..THydrogen-bonded Turntrans44.551.9-173.2-167.432.9000112.8H292 Q293 Q301H292-D296 PolarHBondContact O-N 3.46Å; Q293-D296 PolarHBondContact O-N 2.9Å; Q293-D296 VanDerWaalsContact O-N 3.15Å; D296-Q301 VanDerWaalsContact CG-NE2 3.25Å; D296-Q301 PolarHBondContact O-NE2 3.21Å; D296-Q301 VanDerWaalsContact OD1-CG 3.3Å; D296-Q301 WeakPolarHBondContact OD1-CG 3.48Å; D296-Q301 PolarHBondContact OD1-NE2 3.09Å; D296-Q301 PolarHBondContact OD2-NE2 3.16Å
297S92.3Very high91.8Very high4 Ų441.1 Ų41.13%0.02819%0.191CC..  trans-65.2155.2-1721210000111.9E235 H292 I295 I299 Y300 Q301E235-S297 WeakPolarHBondContact OE2-CB 3.31Å; E235-S297 PolarHBondContact OE2-OG 3.45Å; H292-S297 PolarHBondContact ND1-OG 2.8Å; H292-S297 PolarHBondContact O-N 2.91Å; I295-S297 VanDerWaalsContact C-N 3.27Å; I295-S297 PolarHBondContact O-N 3.32Å; S297-I299 PolarHBondContact O-N 2.86Å; S297-I299 WeakPolarHBondContact OG-CB 3.05Å; S297-I299 PolarHBondContact OG-N 2.88Å; S297-Y300 PolarHBondContact O-N 3.05Å; S297-Y300 PolarHBondContact OG-N 3.2Å; S297-Q301 WeakPolarHBondContact O-CG 3.32Å; S297-Q301 PolarHBondContact O-N 3.22Å
298N92.1Very high91.5Very high46 Ų4644.3 Ų44.325%0.24621%0.206CC..Hα-helixtrans-57.2-39.4176.9-63.9-67.2000110.6E235 Y300 Q301 A302 I378E235-N298 WeakPolarHBondContact OE1-CB 2.95Å; E235-N298 PolarHBondContact OE1-ND2 2.88Å; E235-N298 PolarHBondContact OE2-N 3.45Å; N298-Y300 VanDerWaalsContact C-N 3.34Å; N298-Y300 PolarHBondContact O-N 3.14Å; N298-Q301 PolarHBondContact O-N 3.14Å; N298-A302 VanDerWaalsContact O-CB 3.31Å; N298-A302 WeakPolarHBondContact O-CB 3.39Å; N298-A302 PolarHBondContact O-N 2.81Å; N298-I378 HydrophobicContact CB-CD1 3.64Å; N298-I378 HydrophobicContact CB-CG1 4Å; N298-I378 VanDerWaalsContact O-CD1 3.3Å; N298-I378 WeakPolarHBondContact O-CD1 3.33Å
299I93.5Very high91.1Very high0 Ų046.6 Ų46.60%022%0.219CC..Hα-helixtrans-59.7-43.4177-66.6161.8000111.2E235 S297 N303 Y329 H332 T333 L336 I378E235-I299 PolarHBondContact OE2-N 3.26Å; S297-I299 PolarHBondContact O-N 2.86Å; S297-I299 WeakPolarHBondContact OG-CB 3.05Å; S297-I299 PolarHBondContact OG-N 2.88Å; I299-N303 PolarHBondContact O-N 3.48Å; I299-N303 VanDerWaalsContact O-N 3.08Å; I299-N303 PolarHBondContact O-ND2 2.59Å; I299-Y329 HydrophobicContact CG2-CD1 3.39Å; I299-Y329 HydrophobicContact CG2-CE1 3.66Å; I299-Y329 HydrophobicContact CG2-CG 4.12Å; I299-H332 HydrophobicContact CB-CB 4.36Å; I299-H332 HydrophobicContact CG1-CB 4.29Å; I299-H332 HydrophobicContact CG2-CB 3.98Å; I299-T333 WeakPolarHBondContact CD1-OG1 3.31Å; I299-L336 HydrophobicContact CD1-CD2 4.09Å; I299-I378 HydrophobicContact CG1-CD1 4.12Å
300Y93.7Very high90.4Very high48 Ų4844.9 Ų44.919%0.18821%0.211CC..Hα-helixtrans-65.8-46.6175.3175.9-114.5000111.9Q293 S297 N298 A302 N303 Q304Q293-Y300 HydrophobicContact CG-CD1 4.39Å; Q293-Y300 HydrophobicContact CG-CD2 3.61Å; Q293-Y300 HydrophobicContact CG-CE1 4.13Å; Q293-Y300 HydrophobicContact CG-CE2 3.34Å; Q293-Y300 HydrophobicContact CG-CG 4.14Å; S297-Y300 PolarHBondContact O-N 3.05Å; S297-Y300 PolarHBondContact OG-N 3.2Å; N298-Y300 VanDerWaalsContact C-N 3.34Å; N298-Y300 PolarHBondContact O-N 3.14Å; Y300-A302 VanDerWaalsContact C-N 3.31Å; Y300-A302 PolarHBondContact O-N 2.86Å; Y300-N303 WeakPolarHBondContact O-CB 3.39Å; Y300-N303 PolarHBondContact O-N 3.13Å; Y300-N303 VanDerWaalsContact O-N 3.14Å; Y300-Q304 HydrophobicContact CD1-CG 4.4Å; Y300-Q304 HydrophobicContact CD2-CG 4.26Å; Y300-Q304 HydrophobicContact CE1-CG 3.9Å; Y300-Q304 HydrophobicContact CE2-CG 3.71Å; Y300-Q304 WeakPolarHBondContact O-CG 3.3Å; Y300-Q304 PolarHBondContact O-N 3.28Å
301Q92.1Very high89.3Confident73 Ų7339.2 Ų39.234%0.34119%0.187SC..Hα-helixtrans-60.3-41178.8-68.8-178.7-700112D296 S297 N298 Q304 F305D296-Q301 VanDerWaalsContact CG-NE2 3.25Å; D296-Q301 PolarHBondContact O-NE2 3.21Å; D296-Q301 VanDerWaalsContact OD1-CG 3.3Å; D296-Q301 WeakPolarHBondContact OD1-CG 3.48Å; D296-Q301 PolarHBondContact OD1-NE2 3.09Å; D296-Q301 PolarHBondContact OD2-NE2 3.16Å; S297-Q301 WeakPolarHBondContact O-CG 3.32Å; S297-Q301 PolarHBondContact O-N 3.22Å; N298-Q301 PolarHBondContact O-N 3.14Å; Q301-Q304 PolarHBondContact O-N 2.83Å; Q301-F305 WeakPolarHBondContact O-CB 3.4Å; Q301-F305 PolarHBondContact O-N 2.75Å
302A92Very high88Confident0 Ų042.9 Ų42.90%021%0.208CC..Hα-helixtrans-65.2-38.1175.500000112N298 Y300 F305 F306 H332 I378 Y379N298-A302 VanDerWaalsContact O-CB 3.31Å; N298-A302 WeakPolarHBondContact O-CB 3.39Å; N298-A302 PolarHBondContact O-N 2.81Å; Y300-A302 VanDerWaalsContact C-N 3.31Å; Y300-A302 PolarHBondContact O-N 2.86Å; A302-F305 PolarHBondContact O-N 2.81Å; A302-F306 WeakPolarHBondContact O-CB 3.43Å; A302-F306 PolarHBondContact O-N 2.97Å; A302-H332 VanDerWaalsContact C-CE1 3.45Å; A302-H332 HydrophobicContact CB-CB 4.3Å; A302-I378 HydrophobicContact CB-CB 4.41Å; A302-I378 HydrophobicContact CB-CD1 3.73Å; A302-I378 HydrophobicContact CB-CG2 3.87Å; A302-Y379 HydrophobicContact CB-CE2 4.33Å; A302-Y379 PolarHBondContact O-OH 3.43Å
303N92.1Very high86.4Confident0 Ų044.7 Ų44.70%022%0.218CC..Hα-helixtrans-61.2-48171.7-101.3-59.7000112.6I299 Y300 F305 F306 F307 L328 Y329 H332I299-N303 PolarHBondContact O-N 3.48Å; I299-N303 VanDerWaalsContact O-N 3.08Å; I299-N303 PolarHBondContact O-ND2 2.59Å; Y300-N303 WeakPolarHBondContact O-CB 3.39Å; Y300-N303 PolarHBondContact O-N 3.13Å; Y300-N303 VanDerWaalsContact O-N 3.14Å; N303-F305 VanDerWaalsContact C-N 3.33Å; N303-F305 PolarHBondContact O-N 3.23Å; N303-F306 PolarHBondContact O-N 3.1Å; N303-F307 VanDerWaalsContact O-CD2 3.3Å; N303-F307 WeakPolarHBondContact O-CD2 3.48Å; N303-F307 PolarHBondContact O-N 3.19Å; N303-L328 WeakPolarHBondContact OD1-CB 3.5Å; N303-Y329 HydrophobicContact CB-CE2 4.46Å; N303-Y329 WeakPolarHBondContact ND2-CD2 3.41Å; N303-Y329 VanDerWaalsContact ND2-CE2 3.25Å; N303-Y329 WeakPolarHBondContact ND2-CE2 3.33Å; N303-H332 VanDerWaalsContact CA-CE1 3.47Å; N303-H332 WeakPolarHBondContact CA-CE1 3.31Å; N303-H332 PolarHBondContact N-CE1 2.95Å; N303-H332 VanDerWaalsContact N-CE1 3.33Å; N303-H332 PolarHBondContact N-ND1 3.16Å; N303-H332 PolarHBondContact ND2-ND1 3.45Å; N303-H332 VanDerWaalsContact ND2-ND1 3.15Å
304Q90.3Very high84.8Confident57 Ų5741.1 Ų41.127%0.26620%0.201SC..Hα-helixtrans-61.7-43.6176.5-64.4-51-61.400111.6Y300 Q301 F306 F307 Q308Y300-Q304 HydrophobicContact CD1-CG 4.4Å; Y300-Q304 HydrophobicContact CD2-CG 4.26Å; Y300-Q304 HydrophobicContact CE1-CG 3.9Å; Y300-Q304 HydrophobicContact CE2-CG 3.71Å; Y300-Q304 WeakPolarHBondContact O-CG 3.3Å; Y300-Q304 PolarHBondContact O-N 3.28Å; Q301-Q304 PolarHBondContact O-N 2.83Å; Q304-F306 VanDerWaalsContact C-N 3.34Å; Q304-F306 PolarHBondContact O-N 3.29Å; Q304-F307 PolarHBondContact O-N 3.26Å; Q304-Q308 WeakPolarHBondContact O-CB 3.42Å; Q304-Q308 WeakPolarHBondContact O-CG 3.33Å; Q304-Q308 PolarHBondContact O-N 2.85Å
305F88.5Confident82.9Confident25 Ų2540.1 Ų40.111%0.1120%0.199CC..Hα-helixtrans-59.5-45.6175.7178.6-90.2000111.4Q301 A302 N303 Q308 N309 I310 F368 I371 P373 Y379Q301-F305 WeakPolarHBondContact O-CB 3.4Å; Q301-F305 PolarHBondContact O-N 2.75Å; A302-F305 PolarHBondContact O-N 2.81Å; N303-F305 VanDerWaalsContact C-N 3.33Å; N303-F305 PolarHBondContact O-N 3.23Å; F305-Q308 PolarHBondContact O-N 2.96Å; F305-N309 VanDerWaalsContact CD2-ND2 3.34Å; F305-N309 WeakPolarHBondContact CD2-ND2 3.39Å; F305-N309 HydrophobicContact CE1-CB 4.41Å; F305-N309 HydrophobicContact CE2-CB 4.46Å; F305-N309 HydrophobicContact CZ-CB 4.31Å; F305-N309 VanDerWaalsContact O-CB 3.31Å; F305-N309 WeakPolarHBondContact O-CB 3.33Å; F305-N309 PolarHBondContact O-N 2.97Å; F305-N309 PolarHBondContact O-ND2 3.26Å; F305-I310 HydrophobicContact CE1-CD1 4.44Å; F305-F368 HydrophobicContact CE1-CE1 4.14Å; F305-I371 HydrophobicContact CE2-CG2 3.79Å; F305-I371 HydrophobicContact CZ-CB 4.49Å; F305-I371 HydrophobicContact CZ-CG2 3.49Å; F305-I371 VanDerWaalsContact CZ-CG2 3.49Å; F305-P373 HydrophobicContact CZ-CB 4.22Å; F305-Y379 HydrophobicContact CB-CE2 4.43Å; F305-Y379 AromaticContact CD1-CE2 3.65Å; F305-Y379 HydrophobicContact CD1-CE2 3.65Å; F305-Y379 AromaticContact CD1-CZ 3.68Å; F305-Y379 WeakPolarHBondContact CD1-OH 3.12Å; F305-Y379 HydrophobicContact CE1-CE2 4.09Å; F305-Y379 HydrophobicContact CG-CE2 4.08Å
306F88.5Confident81.2Confident1 Ų143.8 Ų43.80%0.00422%0.215CC..Hα-helixtrans-56.4-57.6177.5-177.9-86000110.2A302 N303 Q304 Q308 N309 I310 G311 F314 L328 Y389 L392A302-F306 WeakPolarHBondContact O-CB 3.43Å; A302-F306 PolarHBondContact O-N 2.97Å; N303-F306 PolarHBondContact O-N 3.1Å; Q304-F306 VanDerWaalsContact C-N 3.34Å; Q304-F306 PolarHBondContact O-N 3.29Å; F306-Q308 VanDerWaalsContact C-N 3.3Å; F306-Q308 PolarHBondContact O-N 2.75Å; F306-N309 PolarHBondContact O-N 3.32Å; F306-I310 HydrophobicContact CD2-CB 3.95Å; F306-I310 HydrophobicContact CD2-CD1 4.03Å; F306-I310 HydrophobicContact CD2-CG1 4.39Å; F306-I310 HydrophobicContact CD2-CG2 4.27Å; F306-I310 HydrophobicContact CE2-CB 4.08Å; F306-I310 HydrophobicContact CE2-CG2 3.93Å; F306-I310 HydrophobicContact CG-CB 4.33Å; F306-I310 HydrophobicContact CZ-CG2 4.41Å; F306-I310 CarbonylContact O-C 3.56Å; F306-I310 WeakPolarHBondContact O-CA 3.31Å; F306-I310 PolarHBondContact O-N 3.44Å; F306-G311 PolarHBondContact O-N 3.46Å; F306-F314 HydrophobicContact CE1-CD2 4.08Å; F306-F314 AromaticContact CE1-CE2 3.79Å; F306-F314 HydrophobicContact CE1-CE2 3.79Å; F306-F314 AromaticContact CE2-CE2 3.93Å; F306-F314 HydrophobicContact CE2-CE2 3.93Å; F306-F314 HydrophobicContact CE2-CZ 4.45Å; F306-F314 AromaticContact CZ-CD2 3.92Å; F306-F314 HydrophobicContact CZ-CD2 3.92Å; F306-F314 AromaticContact CZ-CE2 3.22Å; F306-F314 HydrophobicContact CZ-CE2 3.22Å; F306-F314 AromaticContact CZ-CZ 3.96Å; F306-F314 HydrophobicContact CZ-CZ 3.96Å; F306-L328 HydrophobicContact CB-CD2 4.48Å; F306-L328 HydrophobicContact CD1-CD1 3.37Å; F306-L328 HydrophobicContact CD1-CD2 3.83Å; F306-L328 HydrophobicContact CD1-CG 4.26Å; F306-L328 HydrophobicContact CD2-CD2 3.68Å; F306-L328 HydrophobicContact CE1-CD1 3.59Å; F306-L328 HydrophobicContact CE1-CD2 3.85Å; F306-L328 HydrophobicContact CE1-CG 4.3Å; F306-L328 HydrophobicContact CE2-CD2 3.69Å; F306-L328 HydrophobicContact CG-CD1 3.98Å; F306-L328 HydrophobicContact CG-CD2 3.73Å; F306-L328 HydrophobicContact CZ-CD1 4.33Å; F306-L328 HydrophobicContact CZ-CD2 3.74Å; F306-Y389 HydrophobicContact CD2-CD1 4.26Å; F306-Y389 HydrophobicContact CD2-CD2 4.14Å; F306-Y389 AromaticContact CD2-CE1 3.96Å; F306-Y389 HydrophobicContact CD2-CE1 3.96Å; F306-Y389 AromaticContact CD2-CE2 3.8Å; F306-Y389 HydrophobicContact CD2-CE2 3.8Å; F306-Y389 HydrophobicContact CD2-CG 4.38Å; F306-Y389 AromaticContact CD2-CZ 3.76Å; F306-Y389 AromaticContact CE2-CD1 3.99Å; F306-Y389 HydrophobicContact CE2-CD1 3.99Å; F306-Y389 HydrophobicContact CE2-CD2 4.12Å; F306-Y389 HydrophobicContact CE2-CE1 4.15Å; F306-Y389 HydrophobicContact CE2-CE2 4.24Å; F306-Y389 HydrophobicContact CE2-CG 4.01Å; F306-L392 HydrophobicContact CE2-CD2 4.39Å; F306-L392 HydrophobicContact CZ-CD2 4.07Å
307F86.2Confident79.6Confident46 Ų4642.7 Ų42.720%0.20221%0.207CC..Hα-helixtrans-61.4-37-177-77.4-68.2000113.6N303 Q304 Y321 L324 E325 L328N303-F307 VanDerWaalsContact O-CD2 3.3Å; N303-F307 WeakPolarHBondContact O-CD2 3.48Å; N303-F307 PolarHBondContact O-N 3.19Å; Q304-F307 PolarHBondContact O-N 3.26Å; F307-Y321 HydrophobicContact CE1-CD1 4.12Å; F307-Y321 HydrophobicContact CE1-CE1 4.45Å; F307-L324 HydrophobicContact CE1-CD2 4.06Å; F307-L324 HydrophobicContact CZ-CD2 4.42Å; F307-L324 HydrophobicContact CZ-CG 4.47Å; F307-E325 HydrophobicContact CE2-CB 4.3Å; F307-E325 HydrophobicContact CE2-CG 4.02Å; F307-E325 HydrophobicContact CZ-CB 4.19Å; F307-E325 HydrophobicContact CZ-CG 4.42Å; F307-L328 HydrophobicContact CD2-CD1 4.46Å; F307-L328 HydrophobicContact CE1-CD1 4.39Å; F307-L328 HydrophobicContact CE2-CD1 3.73Å; F307-L328 HydrophobicContact CZ-CD1 3.7Å
308Q84.4Confident77.9Confident123 Ų12352.5 Ų52.558%0.57525%0.252SS*.Hα-helixtrans-71.5-32.3-179.1-72.3171.39.100113.4Q304 F305 F306 L312Q304-Q308 WeakPolarHBondContact O-CB 3.42Å; Q304-Q308 WeakPolarHBondContact O-CG 3.33Å; Q304-Q308 PolarHBondContact O-N 2.85Å; F305-Q308 PolarHBondContact O-N 2.96Å; F306-Q308 VanDerWaalsContact C-N 3.3Å; F306-Q308 PolarHBondContact O-N 2.75Å; Q308-L312 WeakPolarHBondContact O-CD1 3.42Å
309N80Confident76.9Confident51 Ų5152.1 Ų52.127%0.27325%0.248SC..Hα-helixtrans-119.3-33.9-166.2-63.5-77.4000113.9F305 F306 I371F305-N309 VanDerWaalsContact CD2-ND2 3.34Å; F305-N309 WeakPolarHBondContact CD2-ND2 3.39Å; F305-N309 HydrophobicContact CE1-CB 4.41Å; F305-N309 HydrophobicContact CE2-CB 4.46Å; F305-N309 HydrophobicContact CZ-CB 4.31Å; F305-N309 VanDerWaalsContact O-CB 3.31Å; F305-N309 WeakPolarHBondContact O-CB 3.33Å; F305-N309 PolarHBondContact O-N 2.97Å; F305-N309 PolarHBondContact O-ND2 3.26Å; F306-N309 PolarHBondContact O-N 3.32Å; N309-I371 HydrophobicContact CB-CD1 3.93Å; N309-I371 HydrophobicContact CB-CG2 3.8Å
310I78.3Confident76.1Confident8 Ų857.1 Ų57.14%0.04128%0.275CS..THydrogen-bonded Turntrans-109.2-39.9-177.2-44.7-171.3000110.1F305 F306 L312 L313 F314 L364 F368 Y389F305-I310 HydrophobicContact CE1-CD1 4.44Å; F306-I310 HydrophobicContact CD2-CB 3.95Å; F306-I310 HydrophobicContact CD2-CD1 4.03Å; F306-I310 HydrophobicContact CD2-CG1 4.39Å; F306-I310 HydrophobicContact CD2-CG2 4.27Å; F306-I310 HydrophobicContact CE2-CB 4.08Å; F306-I310 HydrophobicContact CE2-CG2 3.93Å; F306-I310 HydrophobicContact CG-CB 4.33Å; F306-I310 HydrophobicContact CZ-CG2 4.41Å; F306-I310 CarbonylContact O-C 3.56Å; F306-I310 WeakPolarHBondContact O-CA 3.31Å; F306-I310 PolarHBondContact O-N 3.44Å; I310-L312 PolarHBondContact O-N 2.93Å; I310-L312 VanDerWaalsContact O-N 3.14Å; I310-L313 HydrophobicContact CG2-CD1 4.02Å; I310-L313 WeakPolarHBondContact O-CB 3.43Å; I310-L313 WeakPolarHBondContact O-CD1 3.23Å; I310-L313 VanDerWaalsContact O-CG 3.26Å; I310-L313 WeakPolarHBondContact O-CG 3.41Å; I310-L313 PolarHBondContact O-N 3.22Å; I310-F314 HydrophobicContact CB-CE2 4.34Å; I310-F314 HydrophobicContact CG2-CE2 3.57Å; I310-F314 HydrophobicContact CG2-CZ 3.87Å; I310-F314 WeakPolarHBondContact O-CD2 3.1Å; I310-F314 WeakPolarHBondContact O-CE2 3.33Å; I310-L364 HydrophobicContact CG2-CD2 4.04Å; I310-F368 HydrophobicContact CD1-CE1 3.99Å; I310-F368 HydrophobicContact CD1-CE2 3.84Å; I310-F368 HydrophobicContact CD1-CZ 3.41Å; I310-F368 VanDerWaalsContact CD1-CZ 3.41Å; I310-Y389 HydrophobicContact CD1-CD2 3.83Å; I310-Y389 HydrophobicContact CD1-CE2 3.71Å
311G72.6Confident75.5Confident2 Ų260.3 Ų60.32%0.02129%0.288CS..G310 helixtrans-44.5-44.417600000113.8F306 L313 F314 N315F306-G311 PolarHBondContact O-N 3.46Å; G311-L313 PolarHBondContact O-N 3.05Å; G311-L313 VanDerWaalsContact O-N 3.09Å; G311-F314 WeakPolarHBondContact O-CA 3.04Å; G311-F314 WeakPolarHBondContact O-CB 3.49Å; G311-F314 PolarHBondContact O-N 3.43Å; G311-N315 PolarHBondContact O-N 3.4Å; G311-N315 PolarHBondContact O-OD1 3.13Å
312L64.7Low75.2Confident107 Ų10759.9 Ų59.956%0.5629%0.288SS*.G310 helixtrans-58.1-25-179.2-62.2178.4000113.6Q308 I310 F314 N315Q308-L312 WeakPolarHBondContact O-CD1 3.42Å; I310-L312 PolarHBondContact O-N 2.93Å; I310-L312 VanDerWaalsContact O-N 3.14Å; L312-F314 VanDerWaalsContact C-N 3.26Å; L312-N315 WeakPolarHBondContact CD2-ND2 3.45Å
313L59.3Low74.9Confident38 Ų3863.2 Ų63.220%0.19930%0.303CS..G310 helixtrans-73.2-24.4177.1-55.9166.7000112.2I310 G311 R367I310-L313 HydrophobicContact CG2-CD1 4.02Å; I310-L313 WeakPolarHBondContact O-CB 3.43Å; I310-L313 WeakPolarHBondContact O-CD1 3.23Å; I310-L313 VanDerWaalsContact O-CG 3.26Å; I310-L313 WeakPolarHBondContact O-CG 3.41Å; I310-L313 PolarHBondContact O-N 3.22Å; G311-L313 PolarHBondContact O-N 3.05Å; G311-L313 VanDerWaalsContact O-N 3.09Å; L313-R367 VanDerWaalsContact CD1-CD 3.41Å; L313-R367 VanDerWaalsContact CD2-CZ 3.4Å
314F61.4Low74.7Confident1 Ų163.3 Ų63.30%0.00430%0.304CS..THydrogen-bonded Turntrans-96.7-11.4-178.3-46.5-62.9000112.4F306 I310 G311 L312 Q316 F317 F319 S393 F398 M399F306-F314 HydrophobicContact CE1-CD2 4.08Å; F306-F314 AromaticContact CE1-CE2 3.79Å; F306-F314 HydrophobicContact CE1-CE2 3.79Å; F306-F314 AromaticContact CE2-CE2 3.93Å; F306-F314 HydrophobicContact CE2-CE2 3.93Å; F306-F314 HydrophobicContact CE2-CZ 4.45Å; F306-F314 AromaticContact CZ-CD2 3.92Å; F306-F314 HydrophobicContact CZ-CD2 3.92Å; F306-F314 AromaticContact CZ-CE2 3.22Å; F306-F314 HydrophobicContact CZ-CE2 3.22Å; F306-F314 AromaticContact CZ-CZ 3.96Å; F306-F314 HydrophobicContact CZ-CZ 3.96Å; I310-F314 HydrophobicContact CB-CE2 4.34Å; I310-F314 HydrophobicContact CG2-CE2 3.57Å; I310-F314 HydrophobicContact CG2-CZ 3.87Å; I310-F314 WeakPolarHBondContact O-CD2 3.1Å; I310-F314 WeakPolarHBondContact O-CE2 3.33Å; G311-F314 WeakPolarHBondContact O-CA 3.04Å; G311-F314 WeakPolarHBondContact O-CB 3.49Å; G311-F314 PolarHBondContact O-N 3.43Å; L312-F314 VanDerWaalsContact C-N 3.26Å; F314-Q316 PolarHBondContact O-N 2.7Å; F314-F317 WeakPolarHBondContact O-CD2 3.42Å; F314-F317 PolarHBondContact O-N 2.98Å; F314-F319 HydrophobicContact CB-CE1 4.23Å; F314-F319 WeakPolarHBondContact O-CE1 3.49Å; F314-S393 WeakPolarHBondContact CE1-OG 3.39Å; F314-F398 HydrophobicContact CB-CG 4.36Å; F314-F398 HydrophobicContact CD1-CB 3.46Å; F314-F398 VanDerWaalsContact CD1-CB 3.46Å; F314-F398 HydrophobicContact CD1-CD2 4.35Å; F314-F398 HydrophobicContact CD1-CG 4.04Å; F314-F398 HydrophobicContact CE1-CB 3.84Å; F314-F398 HydrophobicContact CG-CB 4.28Å; F314-F398 HydrophobicContact CG-CD2 4.49Å; F314-F398 HydrophobicContact CG-CG 4.4Å; F314-M399 HydrophobicContact CD1-CG 3.84Å; F314-M399 HydrophobicContact CE1-CE 3.91Å; F314-M399 HydrophobicContact CE1-CG 3.32Å; F314-M399 HydrophobicContact CE1-SD 3.65Å; F314-M399 HydrophobicContact CZ-CE 4.15Å; F314-M399 HydrophobicContact CZ-CG 4.38Å; F314-M399 HydrophobicContact CZ-SD 4.22Å
315N54.8Low74.7Confident81 Ų8161.2 Ų61.243%0.43329%0.294SS..THydrogen-bonded Turntrans-58.5-6.2-179.3-800.4000115.1G311 L312 F317 Y321G311-N315 PolarHBondContact O-N 3.4Å; G311-N315 PolarHBondContact O-OD1 3.13Å; L312-N315 WeakPolarHBondContact CD2-ND2 3.45Å; N315-F317 VanDerWaalsContact C-N 3.29Å; N315-Y321 PolarHBondContact OD1-OH 2.76Å
316Q56Low74.9Confident122 Ų12260.5 Ų60.557%0.5729%0.291SS*.THydrogen-bonded Turntrans-81.2-8.7174.7-52.6-166.720.400113.3F314F314-Q316 PolarHBondContact O-N 2.7Å
317F58Low75Confident64 Ų6462.6 Ų62.628%0.28130%0.3SS..SBendtrans-110.1140.1-176.9-58.7-82.8000110.7F314 N315 F319 F398F314-F317 WeakPolarHBondContact O-CD2 3.42Å; F314-F317 PolarHBondContact O-N 2.98Å; N315-F317 VanDerWaalsContact C-N 3.29Å; F317-F319 HydrophobicContact CB-CD1 4.22Å; F317-F319 WeakPolarHBondContact O-CD1 3.31Å; F317-F319 PolarHBondContact O-N 3.15Å; F317-F398 HydrophobicContact CB-CD1 3.93Å; F317-F398 HydrophobicContact CB-CE1 3.95Å; F317-F398 HydrophobicContact CD2-CD1 4.03Å; F317-F398 HydrophobicContact CG-CD1 4.06Å
318E58.3Low75.3Confident210 Ų21060.4 Ų60.498%0.98129%0.291SS*.  trans-76.7110.7168.2-78.5-174.3160.900108.3
319F70Confident75.7Confident37 Ų3754.5 Ų54.516%0.16226%0.263CS..  trans-137.4160.9177.159.8-94.4000113F314 F317 Y321 L324 F398F314-F319 HydrophobicContact CB-CE1 4.23Å; F314-F319 WeakPolarHBondContact O-CE1 3.49Å; F317-F319 HydrophobicContact CB-CD1 4.22Å; F317-F319 WeakPolarHBondContact O-CD1 3.31Å; F317-F319 PolarHBondContact O-N 3.15Å; F319-Y321 HydrophobicContact CD2-CD2 4.14Å; F319-Y321 HydrophobicContact CD2-CE2 4.29Å; F319-Y321 HydrophobicContact CD2-CG 4.25Å; F319-Y321 AromaticContact CE2-CD1 3.57Å; F319-Y321 HydrophobicContact CE2-CD1 3.57Å; F319-Y321 AromaticContact CE2-CD2 3.83Å; F319-Y321 HydrophobicContact CE2-CD2 3.83Å; F319-Y321 AromaticContact CE2-CE1 3.54Å; F319-Y321 HydrophobicContact CE2-CE1 3.54Å; F319-Y321 AromaticContact CE2-CE2 3.78Å; F319-Y321 HydrophobicContact CE2-CE2 3.78Å; F319-Y321 AromaticContact CE2-CG 3.73Å; F319-Y321 HydrophobicContact CE2-CG 3.73Å; F319-Y321 AromaticContact CE2-CZ 3.64Å; F319-Y321 HydrophobicContact CZ-CD1 4.11Å; F319-Y321 HydrophobicContact CZ-CD2 4.44Å; F319-Y321 AromaticContact CZ-CE1 3.56Å; F319-Y321 HydrophobicContact CZ-CE1 3.56Å; F319-Y321 AromaticContact CZ-CE2 3.93Å; F319-Y321 HydrophobicContact CZ-CE2 3.93Å; F319-Y321 AromaticContact CZ-CZ 3.46Å; F319-Y321 VanDerWaalsContact CZ-CZ 3.46Å; F319-Y321 PolarHBondContact O-N 2.95Å; F319-L324 HydrophobicContact CD2-CB 4.25Å; F319-L324 HydrophobicContact CD2-CD2 3.85Å; F319-L324 HydrophobicContact CE2-CB 4.38Å; F319-L324 HydrophobicContact CE2-CD2 3.34Å; F319-L324 HydrophobicContact CE2-CG 4.49Å; F319-L324 HydrophobicContact CZ-CD2 3.92Å; F319-F398 HydrophobicContact CB-CE1 3.64Å; F319-F398 HydrophobicContact CB-CZ 3.43Å; F319-F398 VanDerWaalsContact CB-CZ 3.43Å; F319-F398 HydrophobicContact CD1-CD1 4.4Å; F319-F398 AromaticContact CD1-CE1 3.41Å; F319-F398 HydrophobicContact CD1-CE1 3.41Å; F319-F398 VanDerWaalsContact CD1-CE1 3.41Å; F319-F398 AromaticContact CD1-CZ 3.55Å; F319-F398 HydrophobicContact CD1-CZ 3.55Å; F319-F398 AromaticContact CD2-CZ 3.98Å; F319-F398 HydrophobicContact CD2-CZ 3.98Å; F319-F398 HydrophobicContact CE1-CE1 4.24Å; F319-F398 HydrophobicContact CE1-CZ 4.29Å; F319-F398 AromaticContact CG-CE1 3.67Å; F319-F398 HydrophobicContact CG-CE1 3.67Å; F319-F398 HydrophobicContact CG-CE2 4.46Å; F319-F398 AromaticContact CG-CZ 3.37Å; F319-F398 HydrophobicContact CG-CZ 3.37Å
320D77Confident76.3Confident105 Ų10552.3 Ų52.356%0.56125%0.252SS*.  trans-76.6103.9172.9-169.1-25000109.7D322 E323 L324D320-D322 VanDerWaalsContact C-N 3.27Å; D320-D322 PolarHBondContact O-N 3.34Å; D320-D322 WeakPolarHBondContact OD1-CB 3.29Å; D320-D322 PolarHBondContact OD1-N 2.82Å; D320-E323 HydrophobicContact CB-CB 4.06Å; D320-E323 PolarHBondContact O-N 3.36Å; D320-E323 PolarHBondContact OD1-N 2.69Å; D320-L324 PolarHBondContact O-N 3.06Å
321Y81.4Confident76.9Confident116 Ų11652.6 Ų52.646%0.45525%0.253SS..Hα-helixtrans-62-33178.9-81.1-94.6000112.9F307 N315 F319 E325F307-Y321 HydrophobicContact CE1-CD1 4.12Å; F307-Y321 HydrophobicContact CE1-CE1 4.45Å; N315-Y321 PolarHBondContact OD1-OH 2.76Å; F319-Y321 HydrophobicContact CD2-CD2 4.14Å; F319-Y321 HydrophobicContact CD2-CE2 4.29Å; F319-Y321 HydrophobicContact CD2-CG 4.25Å; F319-Y321 AromaticContact CE2-CD1 3.57Å; F319-Y321 HydrophobicContact CE2-CD1 3.57Å; F319-Y321 AromaticContact CE2-CD2 3.83Å; F319-Y321 HydrophobicContact CE2-CD2 3.83Å; F319-Y321 AromaticContact CE2-CE1 3.54Å; F319-Y321 HydrophobicContact CE2-CE1 3.54Å; F319-Y321 AromaticContact CE2-CE2 3.78Å; F319-Y321 HydrophobicContact CE2-CE2 3.78Å; F319-Y321 AromaticContact CE2-CG 3.73Å; F319-Y321 HydrophobicContact CE2-CG 3.73Å; F319-Y321 AromaticContact CE2-CZ 3.64Å; F319-Y321 HydrophobicContact CZ-CD1 4.11Å; F319-Y321 HydrophobicContact CZ-CD2 4.44Å; F319-Y321 AromaticContact CZ-CE1 3.56Å; F319-Y321 HydrophobicContact CZ-CE1 3.56Å; F319-Y321 AromaticContact CZ-CE2 3.93Å; F319-Y321 HydrophobicContact CZ-CE2 3.93Å; F319-Y321 AromaticContact CZ-CZ 3.46Å; F319-Y321 VanDerWaalsContact CZ-CZ 3.46Å; F319-Y321 PolarHBondContact O-N 2.95Å; Y321-E325 WeakPolarHBondContact O-CB 3.27Å; Y321-E325 PolarHBondContact O-N 3.15Å
322D85.4Confident77.9Confident64 Ų6452.5 Ų52.534%0.34225%0.252SS..Hα-helixtrans-69.4-39.3179.5-93.211.8000109.7D320 K326D320-D322 VanDerWaalsContact C-N 3.27Å; D320-D322 PolarHBondContact O-N 3.34Å; D320-D322 WeakPolarHBondContact OD1-CB 3.29Å; D320-D322 PolarHBondContact OD1-N 2.82Å; D322-K326 WeakPolarHBondContact O-CG 3.43Å; D322-K326 PolarHBondContact O-N 3.49Å
323E86.6Confident79.2Confident70 Ų7047.4 Ų47.433%0.32723%0.225SC..Hα-helixtrans-71.8-44.2179.1-159.863.5-165.400112.1M276 D320 E325 K326 E327M276-E323 VanDerWaalsContact CE-OE1 3.27Å; M276-E323 WeakPolarHBondContact CE-OE1 3.49Å; D320-E323 HydrophobicContact CB-CB 4.06Å; D320-E323 PolarHBondContact O-N 3.36Å; D320-E323 PolarHBondContact OD1-N 2.69Å; E323-E325 VanDerWaalsContact C-N 3.27Å; E323-E325 PolarHBondContact O-N 3.36Å; E323-K326 WeakPolarHBondContact O-CB 3.45Å; E323-K326 PolarHBondContact O-N 3.13Å; E323-K326 VanDerWaalsContact O-N 3.15Å; E323-K326 WeakPolarHBondContact OE2-CD 3.3Å; E323-K326 IonicContact OE2-NZ 2.65Å; E323-K326 PolarHBondContact OE2-NZ 3.03Å; E323-E327 PolarHBondContact O-N 3.41Å; E323-E327 VanDerWaalsContact O-N 3.08Å
324L86Confident80.8Confident2 Ų246.7 Ų46.71%0.0122%0.22CC..Hα-helixtrans-57.6-42.2174.1175.959.2000111.6F307 F319 D320 K326 E327 L328 L392 F398F307-L324 HydrophobicContact CE1-CD2 4.06Å; F307-L324 HydrophobicContact CZ-CD2 4.42Å; F307-L324 HydrophobicContact CZ-CG 4.47Å; F319-L324 HydrophobicContact CD2-CB 4.25Å; F319-L324 HydrophobicContact CD2-CD2 3.85Å; F319-L324 HydrophobicContact CE2-CB 4.38Å; F319-L324 HydrophobicContact CE2-CD2 3.34Å; F319-L324 HydrophobicContact CE2-CG 4.49Å; F319-L324 HydrophobicContact CZ-CD2 3.92Å; D320-L324 PolarHBondContact O-N 3.06Å; L324-K326 VanDerWaalsContact C-N 3.33Å; L324-K326 PolarHBondContact O-N 3.1Å; L324-E327 PolarHBondContact O-N 3.36Å; L324-L328 HydrophobicContact CD1-CD1 4.29Å; L324-L328 HydrophobicContact CD1-CG 4.24Å; L324-L328 HydrophobicContact CG-CD1 4.05Å; L324-L328 HydrophobicContact CG-CG 4.46Å; L324-L328 WeakPolarHBondContact O-CG 3.47Å; L324-L328 PolarHBondContact O-N 2.96Å; L324-L392 HydrophobicContact CD1-CD1 4.09Å; L324-L392 HydrophobicContact CD1-CD2 3.84Å; L324-L392 HydrophobicContact CD1-CG 4.17Å; L324-F398 HydrophobicContact CD1-CE2 4.05Å; L324-F398 HydrophobicContact CD2-CE2 4.18Å
325E91.4Very high82.2Confident13 Ų1346.7 Ų46.76%0.06122%0.22CC..Hα-helixtrans-62.8-40.6179.3-165.7176.2-153.400111.3F285 K289 F307 Y321 E323 E327 L328 Y329F285-E325 HydrophobicContact CZ-CB 4.18Å; F285-E325 HydrophobicContact CZ-CG 3.95Å; K289-E325 WeakPolarHBondContact CE-OE1 3.4Å; K289-E325 IonicContact NZ-OE1 2.63Å; K289-E325 PolarHBondContact NZ-OE1 2.85Å; K289-E325 IonicContact NZ-OE2 3.66Å; K289-E325 PolarHBondContact NZ-OE2 2.9Å; F307-E325 HydrophobicContact CE2-CB 4.3Å; F307-E325 HydrophobicContact CE2-CG 4.02Å; F307-E325 HydrophobicContact CZ-CB 4.19Å; F307-E325 HydrophobicContact CZ-CG 4.42Å; Y321-E325 WeakPolarHBondContact O-CB 3.27Å; Y321-E325 PolarHBondContact O-N 3.15Å; E323-E325 VanDerWaalsContact C-N 3.27Å; E323-E325 PolarHBondContact O-N 3.36Å; E325-E327 PolarHBondContact O-N 3.36Å; E325-L328 WeakPolarHBondContact O-CB 3.49Å; E325-L328 PolarHBondContact O-N 3.2Å; E325-Y329 HydrophobicContact CG-CD2 4.1Å; E325-Y329 HydrophobicContact CG-CE2 4.03Å; E325-Y329 WeakPolarHBondContact O-CD2 3.29Å; E325-Y329 PolarHBondContact O-N 2.98Å
326K92.2Very high84Confident10 Ų1042.8 Ų42.84%0.04320%0.199CC..Hα-helixtrans-60.8-44.6174.1-64.4168.3-167.1165.30112M276 Y279 F285 D322 E323 L324 L328 Y329 V330M276-K326 HydrophobicContact CE-CB 4.26Å; M276-K326 HydrophobicContact SD-CB 4.4Å; Y279-K326 WeakPolarHBondContact O-CD 3.23Å; Y279-K326 WeakPolarHBondContact O-CE 3.32Å; F285-K326 HydrophobicContact CD1-CD 4.48Å; F285-K326 HydrophobicContact CD1-CG 3.82Å; F285-K326 HydrophobicContact CD2-CG 3.94Å; F285-K326 HydrophobicContact CE1-CG 3.82Å; F285-K326 HydrophobicContact CE2-CG 3.94Å; F285-K326 HydrophobicContact CG-CG 3.87Å; F285-K326 HydrophobicContact CZ-CG 3.87Å; D322-K326 WeakPolarHBondContact O-CG 3.43Å; D322-K326 PolarHBondContact O-N 3.49Å; E323-K326 WeakPolarHBondContact O-CB 3.45Å; E323-K326 PolarHBondContact O-N 3.13Å; E323-K326 VanDerWaalsContact O-N 3.15Å; E323-K326 WeakPolarHBondContact OE2-CD 3.3Å; E323-K326 IonicContact OE2-NZ 2.65Å; E323-K326 PolarHBondContact OE2-NZ 3.03Å; L324-K326 VanDerWaalsContact C-N 3.33Å; L324-K326 PolarHBondContact O-N 3.1Å; K326-L328 VanDerWaalsContact C-N 3.26Å; K326-L328 PolarHBondContact O-N 3.27Å; K326-Y329 WeakPolarHBondContact O-CB 3.43Å; K326-Y329 PolarHBondContact O-N 2.97Å; K326-V330 PolarHBondContact O-N 3.12Å
327E90.7Very high85.6Confident44 Ų4437 Ų3721%0.20617%0.172CC..Hα-helixtrans-60.4-38.9176.8-69.2-177.5157.100111.7M276 E323 L324 E325 V330 I331 L392 N396M276-E327 HydrophobicContact CE-CB 4.47Å; M276-E327 HydrophobicContact CE-CG 3.37Å; M276-E327 HydrophobicContact SD-CB 4.18Å; M276-E327 HydrophobicContact SD-CG 3.58Å; M276-E327 VanDerWaalsContact SD-CG 3.58Å; E323-E327 PolarHBondContact O-N 3.41Å; E323-E327 VanDerWaalsContact O-N 3.08Å; L324-E327 PolarHBondContact O-N 3.36Å; E325-E327 PolarHBondContact O-N 3.36Å; E327-V330 WeakPolarHBondContact O-CB 3.38Å; E327-V330 PolarHBondContact O-N 2.94Å; E327-I331 WeakPolarHBondContact O-CG1 3.49Å; E327-I331 PolarHBondContact O-N 3.17Å; E327-L392 HydrophobicContact CB-CD1 3.66Å; E327-L392 HydrophobicContact CG-CD1 4.37Å; E327-L392 WeakPolarHBondContact OE2-CD1 3.39Å; E327-N396 PolarHBondContact OE2-ND2 3.08Å
328L92Very high87.1Confident0 Ų036.1 Ų36.10%017%0.168CC..Hα-helixtrans-67.2-41.9175.3-71.3168.2000112.3N303 F306 F307 L324 E325 K326 V330 I331 H332 Y389 L392N303-L328 WeakPolarHBondContact OD1-CB 3.5Å; F306-L328 HydrophobicContact CB-CD2 4.48Å; F306-L328 HydrophobicContact CD1-CD1 3.37Å; F306-L328 HydrophobicContact CD1-CD2 3.83Å; F306-L328 HydrophobicContact CD1-CG 4.26Å; F306-L328 HydrophobicContact CD2-CD2 3.68Å; F306-L328 HydrophobicContact CE1-CD1 3.59Å; F306-L328 HydrophobicContact CE1-CD2 3.85Å; F306-L328 HydrophobicContact CE1-CG 4.3Å; F306-L328 HydrophobicContact CE2-CD2 3.69Å; F306-L328 HydrophobicContact CG-CD1 3.98Å; F306-L328 HydrophobicContact CG-CD2 3.73Å; F306-L328 HydrophobicContact CZ-CD1 4.33Å; F306-L328 HydrophobicContact CZ-CD2 3.74Å; F307-L328 HydrophobicContact CD2-CD1 4.46Å; F307-L328 HydrophobicContact CE1-CD1 4.39Å; F307-L328 HydrophobicContact CE2-CD1 3.73Å; F307-L328 HydrophobicContact CZ-CD1 3.7Å; L324-L328 HydrophobicContact CD1-CD1 4.29Å; L324-L328 HydrophobicContact CD1-CG 4.24Å; L324-L328 HydrophobicContact CG-CD1 4.05Å; L324-L328 HydrophobicContact CG-CG 4.46Å; L324-L328 WeakPolarHBondContact O-CG 3.47Å; L324-L328 PolarHBondContact O-N 2.96Å; E325-L328 WeakPolarHBondContact O-CB 3.49Å; E325-L328 PolarHBondContact O-N 3.2Å; K326-L328 VanDerWaalsContact C-N 3.26Å; K326-L328 PolarHBondContact O-N 3.27Å; L328-V330 VanDerWaalsContact C-N 3.26Å; L328-V330 PolarHBondContact O-N 3.04Å; L328-I331 PolarHBondContact O-N 2.65Å; L328-I331 VanDerWaalsContact O-N 3.16Å; L328-H332 WeakPolarHBondContact O-CB 3.37Å; L328-H332 PolarHBondContact O-N 3.4Å; L328-H332 PolarHBondContact O-ND1 3.29Å; L328-Y389 HydrophobicContact CD2-CE1 4.13Å; L328-L392 HydrophobicContact CD2-CD2 3.57Å; L328-L392 HydrophobicContact CG-CD2 4.2Å
329Y94Very high88.6Confident0 Ų027.1 Ų27.10%013%0.129CC..Hα-helixtrans-56.9-40171.8-93.8-93.7000112.1Y279 F285 K289 H292 I299 N303 E325 K326 T333Y279-Y329 HydrophobicContact CE1-CD1 4.47Å; F285-Y329 AromaticContact CE2-CD2 3.78Å; F285-Y329 HydrophobicContact CE2-CD2 3.78Å; F285-Y329 HydrophobicContact CE2-CE2 4.14Å; F285-Y329 HydrophobicContact CE2-CG 4.15Å; F285-Y329 HydrophobicContact CZ-CD2 4.09Å; F285-Y329 HydrophobicContact CZ-CE2 4.27Å; K289-Y329 HydrophobicContact CG-CE2 4.48Å; H292-Y329 HydrophobicContact CB-CE1 3.95Å; H292-Y329 AromaticContact CD2-CE1 3.47Å; H292-Y329 VanDerWaalsContact CD2-CE1 3.47Å; H292-Y329 WeakPolarHBondContact CD2-CE1 3.49Å; H292-Y329 AromaticContact CG-CE1 3.64Å; H292-Y329 AromaticContact NE2-CD1 3.94Å; H292-Y329 AromaticContact NE2-CE1 3.81Å; I299-Y329 HydrophobicContact CG2-CD1 3.39Å; I299-Y329 HydrophobicContact CG2-CE1 3.66Å; I299-Y329 HydrophobicContact CG2-CG 4.12Å; N303-Y329 HydrophobicContact CB-CE2 4.46Å; N303-Y329 WeakPolarHBondContact ND2-CD2 3.41Å; N303-Y329 VanDerWaalsContact ND2-CE2 3.25Å; N303-Y329 WeakPolarHBondContact ND2-CE2 3.33Å; E325-Y329 HydrophobicContact CG-CD2 4.1Å; E325-Y329 HydrophobicContact CG-CE2 4.03Å; E325-Y329 WeakPolarHBondContact O-CD2 3.29Å; E325-Y329 PolarHBondContact O-N 2.98Å; K326-Y329 WeakPolarHBondContact O-CB 3.43Å; K326-Y329 PolarHBondContact O-N 2.97Å; Y329-T333 WeakPolarHBondContact O-CB 3.38Å; Y329-T333 PolarHBondContact O-N 2.78Å; Y329-T333 PolarHBondContact O-OG1 3.31Å
330V92.3Very high89.5Confident5 Ų528.8 Ų28.83%0.0314%0.136CC..Hα-helixtrans-62.3-51.3172.5166.40000111.3S274 M276 Y279 K326 E327 L328 H332 T333 R334S274-V330 VanDerWaalsContact O-CG1 3.23Å; S274-V330 WeakPolarHBondContact O-CG1 3.45Å; M276-V330 HydrophobicContact CG-CG2 4.14Å; M276-V330 HydrophobicContact SD-CB 4.41Å; M276-V330 HydrophobicContact SD-CG2 3.73Å; Y279-V330 HydrophobicContact CD2-CG2 3.62Å; Y279-V330 HydrophobicContact CE2-CG2 3.59Å; K326-V330 PolarHBondContact O-N 3.12Å; E327-V330 WeakPolarHBondContact O-CB 3.38Å; E327-V330 PolarHBondContact O-N 2.94Å; L328-V330 VanDerWaalsContact C-N 3.26Å; L328-V330 PolarHBondContact O-N 3.04Å; V330-H332 PolarHBondContact O-N 2.9Å; V330-T333 PolarHBondContact O-N 2.74Å; V330-R334 WeakPolarHBondContact O-CG 3.36Å; V330-R334 PolarHBondContact O-N 3.1Å
331I91.6Very high90Very high13 Ų1324 Ų247%0.06711%0.11CC..Hα-helixtrans-61.2-44.3-178.6-75.6168.8000111.3E327 L328 T333 R334 L335 L388 Y389 L392E327-I331 WeakPolarHBondContact O-CG1 3.49Å; E327-I331 PolarHBondContact O-N 3.17Å; L328-I331 PolarHBondContact O-N 2.65Å; L328-I331 VanDerWaalsContact O-N 3.16Å; I331-T333 VanDerWaalsContact C-N 3.34Å; I331-T333 PolarHBondContact O-N 3.19Å; I331-R334 WeakPolarHBondContact O-CB 3.11Å; I331-R334 PolarHBondContact O-N 2.82Å; I331-R334 VanDerWaalsContact O-N 3.15Å; I331-L335 HydrophobicContact CG2-CD1 4.08Å; I331-L335 HydrophobicContact CG2-CG 4.49Å; I331-L335 WeakPolarHBondContact O-CG 3.11Å; I331-L335 PolarHBondContact O-N 3.25Å; I331-L388 HydrophobicContact CD1-CB 4.48Å; I331-L388 HydrophobicContact CG1-CB 4.32Å; I331-L388 HydrophobicContact CG2-CB 3.73Å; I331-L388 HydrophobicContact CG2-CD1 3.85Å; I331-L388 HydrophobicContact CG2-CG 4.44Å; I331-Y389 HydrophobicContact CG2-CD1 3.92Å; I331-Y389 HydrophobicContact CG2-CE1 3.52Å; I331-L392 HydrophobicContact CD1-CB 3.75Å; I331-L392 HydrophobicContact CD1-CD1 3.83Å; I331-L392 HydrophobicContact CD1-CD2 3.88Å; I331-L392 HydrophobicContact CD1-CG 4.05Å
332H93Very high90.2Very high0 Ų021.4 Ų21.40%010%0.104CC..Hα-helixtrans-68.9-33.8-179.7-63.7155.2000111.8I299 A302 N303 L328 V330 L335 L336 I378 Y389I299-H332 HydrophobicContact CB-CB 4.36Å; I299-H332 HydrophobicContact CG1-CB 4.29Å; I299-H332 HydrophobicContact CG2-CB 3.98Å; A302-H332 VanDerWaalsContact C-CE1 3.45Å; A302-H332 HydrophobicContact CB-CB 4.3Å; N303-H332 VanDerWaalsContact CA-CE1 3.47Å; N303-H332 WeakPolarHBondContact CA-CE1 3.31Å; N303-H332 PolarHBondContact N-CE1 2.95Å; N303-H332 VanDerWaalsContact N-CE1 3.33Å; N303-H332 PolarHBondContact N-ND1 3.16Å; N303-H332 PolarHBondContact ND2-ND1 3.45Å; N303-H332 VanDerWaalsContact ND2-ND1 3.15Å; L328-H332 WeakPolarHBondContact O-CB 3.37Å; L328-H332 PolarHBondContact O-N 3.4Å; L328-H332 PolarHBondContact O-ND1 3.29Å; V330-H332 PolarHBondContact O-N 2.9Å; H332-L335 PolarHBondContact O-N 3.29Å; H332-L336 PolarHBondContact O-N 3.03Å; H332-I378 HydrophobicContact CB-CD1 4.11Å; H332-Y389 PolarHBondContact CD2-OH 3.35Å; H332-Y389 AromaticContact NE2-CE1 3.64Å; H332-Y389 AromaticContact NE2-CZ 3.58Å; H332-Y389 PolarHBondContact NE2-OH 3.34Å
333T92.7Very high89.9Confident0 Ų019.8 Ų19.80%09%0.094CC..Hα-helixtrans-63.2-42.7168.6-54.60000111.5L270 Q273 I299 Y329 V330 I331 L335 L336 F337L270-T333 HydrophobicContact CD1-CG2 3.86Å; L270-T333 HydrophobicContact CG-CG2 4.37Å; L270-T333 WeakPolarHBondContact O-CG2 3.43Å; Q273-T333 HydrophobicContact CB-CG2 3.86Å; Q273-T333 PolarHBondContact O-OG1 3.43Å; I299-T333 WeakPolarHBondContact CD1-OG1 3.31Å; Y329-T333 WeakPolarHBondContact O-CB 3.38Å; Y329-T333 PolarHBondContact O-N 2.78Å; Y329-T333 PolarHBondContact O-OG1 3.31Å; V330-T333 PolarHBondContact O-N 2.74Å; I331-T333 VanDerWaalsContact C-N 3.34Å; I331-T333 PolarHBondContact O-N 3.19Å; T333-L335 VanDerWaalsContact C-N 3.33Å; T333-L335 PolarHBondContact O-N 3.32Å; T333-L336 WeakPolarHBondContact O-CB 3.22Å; T333-L336 PolarHBondContact O-N 3.08Å; T333-F337 HydrophobicContact CG2-CD2 4.13Å; T333-F337 HydrophobicContact CG2-CE2 3.96Å; T333-F337 VanDerWaalsContact O-CD2 3.32Å; T333-F337 WeakPolarHBondContact O-CD2 3.42Å; T333-F337 PolarHBondContact O-N 3.22Å
334R91.7Very high89.4Confident24 Ų2417.7 Ų17.79%0.0919%0.085CC..Hα-helixtrans-63.5-37.7175.6-70.4176.9-176.2-178.52.2112.5S274 V330 I331 L336 F337 K338 V344 L388S274-R334 PolarHBondContact O-NE 3.19Å; S274-R334 VanDerWaalsContact O-NE 3.07Å; S274-R334 PolarHBondContact O-NH2 3.33Å; V330-R334 WeakPolarHBondContact O-CG 3.36Å; V330-R334 PolarHBondContact O-N 3.1Å; I331-R334 WeakPolarHBondContact O-CB 3.11Å; I331-R334 PolarHBondContact O-N 2.82Å; I331-R334 VanDerWaalsContact O-N 3.15Å; R334-L336 VanDerWaalsContact C-N 3.35Å; R334-F337 WeakPolarHBondContact O-CB 3.23Å; R334-F337 PolarHBondContact O-N 3.27Å; R334-K338 PolarHBondContact O-N 3.01Å; R334-V344 HydrophobicContact CB-CG1 3.96Å; R334-V344 HydrophobicContact CG-CG1 4.17Å; R334-L388 HydrophobicContact CB-CD1 4.13Å
335L91.2Very high88.5Confident0 Ų017.6 Ų17.60%09%0.085CC..Hα-helixtrans-67.8-36.3174.3-71.7171.3000112.2I331 H332 T333 K338 S339 I378 Y384 A385 L388I331-L335 HydrophobicContact CG2-CD1 4.08Å; I331-L335 HydrophobicContact CG2-CG 4.49Å; I331-L335 WeakPolarHBondContact O-CG 3.11Å; I331-L335 PolarHBondContact O-N 3.25Å; H332-L335 PolarHBondContact O-N 3.29Å; T333-L335 VanDerWaalsContact C-N 3.33Å; T333-L335 PolarHBondContact O-N 3.32Å; L335-K338 PolarHBondContact O-N 3.27Å; L335-S339 WeakPolarHBondContact O-CB 3.35Å; L335-S339 PolarHBondContact O-N 3.05Å; L335-S339 PolarHBondContact O-OG 3.13Å; L335-I378 HydrophobicContact CB-CB 4.44Å; L335-I378 HydrophobicContact CB-CG2 3.72Å; L335-I378 HydrophobicContact CD1-CG2 3.67Å; L335-I378 HydrophobicContact CG-CG2 4.33Å; L335-Y384 HydrophobicContact CD2-CD1 3.7Å; L335-Y384 HydrophobicContact CD2-CE1 4.33Å; L335-Y384 HydrophobicContact CD2-CG 4.47Å; L335-A385 HydrophobicContact CD1-CB 3.83Å; L335-A385 HydrophobicContact CD2-CB 3.76Å; L335-A385 HydrophobicContact CG-CB 4.48Å; L335-L388 HydrophobicContact CD2-CD1 4.11Å; L335-L388 HydrophobicContact CG-CD1 4.06Å
336L91.8Very high87.1Confident0 Ų018.1 Ų18.10%09%0.088CC..Hα-helixtrans-60.8-47.2171.9-174.867000110.9P233 E235 L270 I299 H332 T333 R334 K338 S339 F340 L377 I378P233-L336 HydrophobicContact CB-CD1 4.35Å; P233-L336 HydrophobicContact CB-CD2 3.94Å; P233-L336 HydrophobicContact CB-CG 4.32Å; P233-L336 HydrophobicContact CG-CD1 4.48Å; P233-L336 HydrophobicContact CG-CD2 4.01Å; P233-L336 HydrophobicContact CG-CG 4.11Å; E235-L336 HydrophobicContact CG-CD2 3.77Å; E235-L336 WeakPolarHBondContact OE1-CD1 3.49Å; E235-L336 WeakPolarHBondContact OE1-CD2 3.39Å; L270-L336 HydrophobicContact CD1-CD2 4.17Å; I299-L336 HydrophobicContact CD1-CD2 4.09Å; H332-L336 PolarHBondContact O-N 3.03Å; T333-L336 WeakPolarHBondContact O-CB 3.22Å; T333-L336 PolarHBondContact O-N 3.08Å; R334-L336 VanDerWaalsContact C-N 3.35Å; L336-K338 PolarHBondContact O-N 3.2Å; L336-S339 PolarHBondContact O-N 2.9Å; L336-F340 HydrophobicContact CD1-CD2 4.47Å; L336-F340 WeakPolarHBondContact O-CB 3Å; L336-F340 PolarHBondContact O-N 3.07Å; L336-L377 HydrophobicContact CD1-CD2 4.06Å; L336-I378 HydrophobicContact CB-CG1 4.45Å
337F91Very high85.2Confident0 Ų018.8 Ų18.80%010%0.098CC..Hα-helixtrans-53.7-51.3172.3-86.3-71.3000111.8L162 F267 L270 F271 T333 R334 S339 F340 Y341 Y343 P345L162-F337 HydrophobicContact CD1-CD1 3.67Å; L162-F337 HydrophobicContact CD1-CE1 3.96Å; L162-F337 HydrophobicContact CD2-CE1 4.31Å; F267-F337 HydrophobicContact CE2-CE1 4.09Å; L270-F337 HydrophobicContact CB-CZ 4.07Å; L270-F337 HydrophobicContact CD2-CE1 3.96Å; L270-F337 HydrophobicContact CD2-CE2 4.24Å; L270-F337 HydrophobicContact CD2-CZ 3.77Å; L270-F337 HydrophobicContact CG-CE1 4.28Å; L270-F337 HydrophobicContact CG-CE2 3.78Å; L270-F337 HydrophobicContact CG-CZ 3.57Å; L270-F337 WeakPolarHBondContact O-CE2 3.4Å; F271-F337 HydrophobicContact CB-CZ 4.21Å; T333-F337 HydrophobicContact CG2-CD2 4.13Å; T333-F337 HydrophobicContact CG2-CE2 3.96Å; T333-F337 VanDerWaalsContact O-CD2 3.32Å; T333-F337 WeakPolarHBondContact O-CD2 3.42Å; T333-F337 PolarHBondContact O-N 3.22Å; R334-F337 WeakPolarHBondContact O-CB 3.23Å; R334-F337 PolarHBondContact O-N 3.27Å; F337-S339 VanDerWaalsContact C-N 3.25Å; F337-S339 PolarHBondContact O-N 3.19Å; F337-F340 PolarHBondContact O-N 3.46Å; F337-Y341 AromaticContact CD1-CD2 3.66Å; F337-Y341 HydrophobicContact CD1-CD2 3.66Å; F337-Y341 AromaticContact CD1-CE2 3.82Å; F337-Y341 HydrophobicContact CD1-CE2 3.82Å; F337-Y341 HydrophobicContact CE1-CD2 4.32Å; F337-Y341 HydrophobicContact CE1-CE2 4.09Å; F337-Y341 WeakPolarHBondContact O-CB 3.24Å; F337-Y341 PolarHBondContact O-N 2.94Å; F337-Y343 CarbonylContact C-O 3.42Å; F337-P345 HydrophobicContact CD2-CG 3.83Å; F337-P345 HydrophobicContact CE2-CG 4.03Å; F337-P345 HydrophobicContact CG-CG 4.18Å
338K88.9Confident83.1Confident45 Ų4522.2 Ų22.220%0.19611%0.114CC..Hα-helixtrans-59.3-39179.7-170.866.3-168.4167.30111.7R334 L335 L336 N342 Y343 V344 Q381 Y384R334-K338 PolarHBondContact O-N 3.01Å; L335-K338 PolarHBondContact O-N 3.27Å; L336-K338 PolarHBondContact O-N 3.2Å; K338-N342 VanDerWaalsContact CE-OD1 3.29Å; K338-N342 WeakPolarHBondContact CE-OD1 3.04Å; K338-N342 PolarHBondContact NZ-O 2.82Å; K338-N342 PolarHBondContact NZ-OD1 2.9Å; K338-N342 WeakPolarHBondContact O-CA 3.48Å; K338-N342 PolarHBondContact O-N 3.34Å; K338-Y343 WeakPolarHBondContact CA-O 3.44Å; K338-Y343 PolarHBondContact N-O 3.22Å; K338-V344 HydrophobicContact CB-CG2 3.83Å; K338-V344 HydrophobicContact CD-CG2 3.57Å; K338-V344 HydrophobicContact CG-CG2 4.16Å; K338-Q381 HydrophobicContact CB-CG 4.49Å; K338-Q381 HydrophobicContact CG-CB 3.96Å; K338-Q381 HydrophobicContact CG-CG 3.79Å; K338-Y384 HydrophobicContact CB-CD1 3.82Å; K338-Y384 HydrophobicContact CB-CE1 4.16Å; K338-Y384 HydrophobicContact CD-CD1 4.28Å; K338-Y384 HydrophobicContact CG-CD1 3.72Å; K338-Y384 HydrophobicContact CG-CE1 4.38Å; K338-Y384 HydrophobicContact CG-CG 4.3Å
339S89.2Confident80.8Confident22 Ų2230.7 Ų30.715%0.15415%0.153CC..Hα-helixtrans-74.4-37.4-176.8-55.40000112.4L335 L336 F337 L377 S380L335-S339 WeakPolarHBondContact O-CB 3.35Å; L335-S339 PolarHBondContact O-N 3.05Å; L335-S339 PolarHBondContact O-OG 3.13Å; L336-S339 PolarHBondContact O-N 2.9Å; F337-S339 VanDerWaalsContact C-N 3.25Å; F337-S339 PolarHBondContact O-N 3.19Å; S339-L377 VanDerWaalsContact CB-O 3.31Å; S339-L377 WeakPolarHBondContact CB-O 3.12Å; S339-L377 PolarHBondContact OG-O 2.99Å; S339-S380 WeakPolarHBondContact CB-OG 3.39Å; S339-S380 PolarHBondContact OG-OG 3.25Å; S339-S380 VanDerWaalsContact OG-OG 3.14Å
340F88.7Confident78.4Confident72 Ų7235 Ų3532%0.31617%0.173SC..Hα-helixtrans-81.8-39.8-178.7-122.6-100.6000113.1P233 L336 F337 L377P233-F340 HydrophobicContact CB-CD2 4.28Å; P233-F340 HydrophobicContact CB-CE2 4.12Å; P233-F340 HydrophobicContact CB-CZ 4.35Å; P233-F340 HydrophobicContact CG-CB 4.39Å; P233-F340 HydrophobicContact CG-CD1 4.05Å; P233-F340 HydrophobicContact CG-CD2 3.89Å; P233-F340 HydrophobicContact CG-CE1 4.3Å; P233-F340 HydrophobicContact CG-CE2 4.16Å; P233-F340 HydrophobicContact CG-CG 3.85Å; P233-F340 HydrophobicContact CG-CZ 4.37Å; L336-F340 HydrophobicContact CD1-CD2 4.47Å; L336-F340 WeakPolarHBondContact O-CB 3Å; L336-F340 PolarHBondContact O-N 3.07Å; F337-F340 PolarHBondContact O-N 3.46Å; F340-L377 HydrophobicContact CD2-CD2 3.59Å; F340-L377 HydrophobicContact CE2-CD2 3.56Å
341Y88.9Confident76.3Confident5 Ų542.5 Ų42.52%0.0221%0.213CC..Hα-helixtrans-116.5-3.2-168.2-54.8-57.6000113.6L156 P158 L162 E231 P233 F337 Y343L156-Y341 HydrophobicContact CD1-CD1 4.4Å; P158-Y341 HydrophobicContact CB-CD1 3.94Å; P158-Y341 HydrophobicContact CB-CE1 3.43Å; P158-Y341 VanDerWaalsContact CB-CE1 3.43Å; P158-Y341 HydrophobicContact CB-CE2 4.15Å; P158-Y341 HydrophobicContact CB-CG 4.5Å; P158-Y341 HydrophobicContact CG-CE1 3.74Å; L162-Y341 HydrophobicContact CD1-CD2 4Å; L162-Y341 HydrophobicContact CD1-CG 4.34Å; E231-Y341 VanDerWaalsContact O-CE1 3.26Å; E231-Y341 WeakPolarHBondContact O-CE1 3.31Å; E231-Y341 PolarHBondContact O-OH 2.97Å; P233-Y341 VanDerWaalsContact CD-OH 3.28Å; P233-Y341 WeakPolarHBondContact CD-OH 3.34Å; F337-Y341 AromaticContact CD1-CD2 3.66Å; F337-Y341 HydrophobicContact CD1-CD2 3.66Å; F337-Y341 AromaticContact CD1-CE2 3.82Å; F337-Y341 HydrophobicContact CD1-CE2 3.82Å; F337-Y341 HydrophobicContact CE1-CD2 4.32Å; F337-Y341 HydrophobicContact CE1-CE2 4.09Å; F337-Y341 WeakPolarHBondContact O-CB 3.24Å; F337-Y341 PolarHBondContact O-N 2.94Å; Y341-Y343 PolarHBondContact O-N 3.45Å
342N85.1Confident74.8Confident61 Ų6143.5 Ų43.533%0.32622%0.218SC..SBendtrans54.117.4-167-16625.8000113.3K338K338-N342 VanDerWaalsContact CE-OD1 3.29Å; K338-N342 WeakPolarHBondContact CE-OD1 3.04Å; K338-N342 PolarHBondContact NZ-O 2.82Å; K338-N342 PolarHBondContact NZ-OD1 2.9Å; K338-N342 WeakPolarHBondContact O-CA 3.48Å; K338-N342 PolarHBondContact O-N 3.34Å
343Y79.7Confident73.5Confident30 Ų3049.2 Ų49.212%0.11824%0.24CC..  trans-132.1147.7-173-147.8-78.7000109.5A140 L162 F163 S166 F337 K338 Y341A140-Y343 HydrophobicContact CB-CE2 4.49Å; L162-Y343 HydrophobicContact CB-CD1 3.62Å; L162-Y343 HydrophobicContact CB-CE1 4.23Å; L162-Y343 HydrophobicContact CB-CG 4.1Å; L162-Y343 WeakPolarHBondContact O-CE1 3.4Å; F163-Y343 HydrophobicContact CB-CE2 4.2Å; F163-Y343 HydrophobicContact CD2-CE2 4.37Å; S166-Y343 WeakPolarHBondContact CB-OH 3.08Å; S166-Y343 WeakPolarHBondContact OG-CE1 3.41Å; S166-Y343 PolarHBondContact OG-OH 2.86Å; F337-Y343 CarbonylContact C-O 3.42Å; K338-Y343 WeakPolarHBondContact CA-O 3.44Å; K338-Y343 PolarHBondContact N-O 3.22Å; Y341-Y343 PolarHBondContact O-N 3.45Å
344V75.4Confident72.6Confident25 Ų2554.3 Ų54.315%0.15227%0.274CS..  trans-124.4133.9176.1-163.80000108.7R334 K338 I346 Y384R334-V344 HydrophobicContact CB-CG1 3.96Å; R334-V344 HydrophobicContact CG-CG1 4.17Å; K338-V344 HydrophobicContact CB-CG2 3.83Å; K338-V344 HydrophobicContact CD-CG2 3.57Å; K338-V344 HydrophobicContact CG-CG2 4.16Å; V344-I346 PolarHBondContact O-N 3.49Å; V344-Y384 HydrophobicContact CB-CE1 4.43Å; V344-Y384 HydrophobicContact CG1-CE1 4.18Å; V344-Y384 WeakPolarHBondContact CG1-OH 3.32Å; V344-Y384 HydrophobicContact CG2-CD1 4.26Å; V344-Y384 HydrophobicContact CG2-CE1 3.49Å; V344-Y384 VanDerWaalsContact CG2-CE1 3.49Å
345P66Low71.8Confident1 Ų157.7 Ų57.71%0.00629%0.29CS..  trans-55.8139.8170.520.5-31.1000110.7L162 F271 S274 F337 G347L162-P345 HydrophobicContact CD2-CB 4.22Å; F271-P345 HydrophobicContact CD2-CB 3.52Å; F271-P345 HydrophobicContact CD2-CG 4.21Å; F271-P345 HydrophobicContact CE2-CB 3.32Å; F271-P345 HydrophobicContact CE2-CG 4.39Å; F271-P345 HydrophobicContact CZ-CB 4.47Å; S274-P345 WeakPolarHBondContact OG-CG 3.45Å; F337-P345 HydrophobicContact CD2-CG 3.83Å; F337-P345 HydrophobicContact CE2-CG 4.03Å; F337-P345 HydrophobicContact CG-CG 4.18Å; P345-G347 PolarHBondContact O-N 3.08Å
346I63Low70.9Confident24 Ų2457.9 Ų57.912%0.12329%0.291CS..  trans-38.8113.4-177.1-56.6147.5000110L165 S166 W169 K275 V344L165-I346 HydrophobicContact CD1-CD1 4.15Å; L165-I346 HydrophobicContact CD2-CD1 4.13Å; L165-I346 HydrophobicContact CG-CD1 3.62Å; S166-I346 WeakPolarHBondContact OG-CG1 3.42Å; W169-I346 HydrophobicContact CB-CD1 3.24Å; W169-I346 HydrophobicContact CB-CG1 4.01Å; W169-I346 VanDerWaalsContact CD1-CG2 3.45Å; W169-I346 HydrophobicContact CD2-CD1 3.94Å; W169-I346 HydrophobicContact CD2-CG2 4.41Å; W169-I346 HydrophobicContact CE3-CD1 4.39Å; W169-I346 HydrophobicContact CG-CD1 3.43Å; W169-I346 VanDerWaalsContact CG-CD1 3.43Å; W169-I346 HydrophobicContact CG-CG1 4.09Å; W169-I346 HydrophobicContact CG-CG2 3.95Å; K275-I346 PolarHBondContact NZ-O 3.34Å; V344-I346 PolarHBondContact O-N 3.49Å
347G53.2Low70.3Confident24 Ų2458.4 Ų58.425%0.24729%0.294CS..  trans-107.7135.2-17700000109.9P345 H349P345-G347 PolarHBondContact O-N 3.08Å; G347-H349 PolarHBondContact O-N 3.31Å
348E46.7Very low69.8Low116 Ų11660.9 Ų60.954%0.54231%0.314SS..  trans-47.7107.4172.5-68.8157.3-173.200109.6H350E348-H350 PolarHBondContact O-N 3.23Å; E348-H350 PolarHBondContact O-ND1 2.85Å; E348-H350 IonicContact OE2-CE1 3.25Å
349H42.2Very low69.2Low177 Ų17759 Ų5982%0.81931%0.306SS*.  trans-63.294.8164.8-71.2-67.8000106.3G347 N351G347-H349 PolarHBondContact O-N 3.31Å; H349-N351 PolarHBondContact O-N 2.95Å
350H43.9Very low68.7Low90 Ų9058 Ų5842%0.41730%0.299SS..  trans-62.2125.1164.6-6750.6000104.3E348 L352E348-H350 PolarHBondContact O-N 3.23Å; E348-H350 PolarHBondContact O-ND1 2.85Å; E348-H350 IonicContact OE2-CE1 3.25Å; H350-L352 HydrophobicContact CB-CD1 3.78Å; H350-L352 HydrophobicContact CB-CD2 3.92Å; H350-L352 HydrophobicContact CB-CG 3.48Å; H350-L352 VanDerWaalsContact CB-CG 3.48Å; H350-L352 PolarHBondContact O-N 3Å
351N47.6Very low68.5Low163 Ų16356.9 Ų56.987%0.87230%0.295SS*.  trans-67.365.7169.7-78.8-26.3000108.2H349H349-N351 PolarHBondContact O-N 2.95Å
352L61.3Low68.2Low34 Ų3459.8 Ų59.818%0.17831%0.309CS..  trans-80.6129.9176.6-60.4169.2000106.2H350 P354 M357 A391 I394H350-L352 HydrophobicContact CB-CD1 3.78Å; H350-L352 HydrophobicContact CB-CD2 3.92Å; H350-L352 HydrophobicContact CB-CG 3.48Å; H350-L352 VanDerWaalsContact CB-CG 3.48Å; H350-L352 PolarHBondContact O-N 3Å; L352-P354 VanDerWaalsContact O-CD 3.3Å; L352-P354 WeakPolarHBondContact O-CD 3.49Å; L352-P354 VanDerWaalsContact O-N 3.14Å; L352-M357 HydrophobicContact CB-CG 3.58Å; L352-M357 HydrophobicContact CB-SD 4.4Å; L352-M357 HydrophobicContact CD1-CE 4.2Å; L352-M357 HydrophobicContact CD1-CG 3.89Å; L352-M357 HydrophobicContact CD1-SD 3.58Å; L352-M357 VanDerWaalsContact CD1-SD 3.58Å; L352-M357 HydrophobicContact CG-CG 4.33Å; L352-A391 HydrophobicContact CD1-CB 3.54Å; L352-I394 HydrophobicContact CD2-CB 3.99Å; L352-I394 HydrophobicContact CD2-CD1 4.42Å; L352-I394 HydrophobicContact CD2-CG2 3.6Å
353Y65.9Low67.7Low121 Ų12158 Ų5848%0.47530%0.3SS..  trans-56.4121173.2-66.2-78.5000108.2E355 D356 M357 R489Y353-E355 PolarHBondContact O-N 3.3Å; Y353-D356 WeakPolarHBondContact CB-OD2 3.43Å; Y353-D356 PolarHBondContact O-N 3.01Å; Y353-M357 PolarHBondContact O-N 3.23Å; Y353-M357 VanDerWaalsContact O-N 3.13Å; Y353-R489 VanDerWaalsContact CD2-NH2 3.35Å; Y353-R489 VanDerWaalsContact CG-NH2 3.31Å
354P73.6Confident67.9Low107 Ų10756.7 Ų56.770%0.69529%0.294SS*.Hα-helixtrans-55.4-31.7-175-28.535000113.2L352 A358L352-P354 VanDerWaalsContact O-CD 3.3Å; L352-P354 WeakPolarHBondContact O-CD 3.49Å; L352-P354 VanDerWaalsContact O-N 3.14Å; P354-A358 WeakPolarHBondContact O-CB 3.35Å; P354-A358 PolarHBondContact O-N 2.83Å
355E74Confident68.3Low94 Ų9459.1 Ų59.144%0.43930%0.301SS..Hα-helixtrans-63.5-46.4176.4-63.5159.1178.700112.2Y353 A358 I359 R489 M493Y353-E355 PolarHBondContact O-N 3.3Å; E355-A358 PolarHBondContact O-N 2.72Å; E355-I359 WeakPolarHBondContact O-CG1 3.44Å; E355-I359 PolarHBondContact O-N 2.89Å; E355-I359 VanDerWaalsContact O-N 3.15Å; E355-R489 WeakPolarHBondContact OE2-CD 3.38Å; E355-R489 IonicContact OE2-CZ 3.76Å; E355-R489 IonicContact OE2-NE 2.87Å; E355-R489 IonicContact OE2-NH1 3.85Å; E355-R489 PolarHBondContact OE2-NH1 2.76Å; E355-R489 VanDerWaalsContact OE2-NH1 3.11Å; E355-M493 HydrophobicContact CB-CE 4.49Å
356D72.4Confident68.9Low5 Ų562.3 Ų62.33%0.02732%0.32CS..Hα-helixtrans-66.6-44-179.9-63.9-22.7000109.8Y353 A358 I359 V360 I394 L431 R489Y353-D356 WeakPolarHBondContact CB-OD2 3.43Å; Y353-D356 PolarHBondContact O-N 3.01Å; D356-A358 PolarHBondContact O-N 3.14Å; D356-I359 PolarHBondContact O-N 3.02Å; D356-V360 VanDerWaalsContact O-CG2 3.27Å; D356-V360 WeakPolarHBondContact O-CG2 3.23Å; D356-V360 PolarHBondContact O-N 3.1Å; D356-I394 HydrophobicContact CB-CD1 4.07Å; D356-L431 HydrophobicContact CB-CD2 4.16Å; D356-L431 VanDerWaalsContact OD1-CD2 3.31Å; D356-L431 WeakPolarHBondContact OD1-CD2 3.44Å; D356-R489 WeakPolarHBondContact OD1-CD 3.38Å; D356-R489 IonicContact OD1-CZ 2.78Å; D356-R489 IonicContact OD1-NE 3.6Å; D356-R489 PolarHBondContact OD1-NE 3Å; D356-R489 IonicContact OD1-NH2 3.82Å; D356-R489 IonicContact OD2-CZ 3.64Å; D356-R489 IonicContact OD2-NE 3.56Å; D356-R489 IonicContact OD2-NH2 3.11Å; D356-R489 PolarHBondContact OD2-NH2 2.93Å
357M79.4Confident69.5Low11 Ų1163.4 Ų63.45%0.05432%0.323CS..Hα-helixtrans-56.9-48.3173.8-83.9-66.4-78.400112.1L352 Y353 I359 V360 Q361 F387 A390 A391 I394L352-M357 HydrophobicContact CB-CG 3.58Å; L352-M357 HydrophobicContact CB-SD 4.4Å; L352-M357 HydrophobicContact CD1-CE 4.2Å; L352-M357 HydrophobicContact CD1-CG 3.89Å; L352-M357 HydrophobicContact CD1-SD 3.58Å; L352-M357 VanDerWaalsContact CD1-SD 3.58Å; L352-M357 HydrophobicContact CG-CG 4.33Å; Y353-M357 PolarHBondContact O-N 3.23Å; Y353-M357 VanDerWaalsContact O-N 3.13Å; M357-I359 VanDerWaalsContact C-N 3.35Å; M357-I359 PolarHBondContact O-N 3.44Å; M357-V360 PolarHBondContact O-N 3.26Å; M357-Q361 HydrophobicContact CE-CG 4.47Å; M357-Q361 VanDerWaalsContact O-CB 3.28Å; M357-Q361 WeakPolarHBondContact O-CB 3.47Å; M357-Q361 WeakPolarHBondContact O-CG 3.4Å; M357-Q361 PolarHBondContact O-N 3.32Å; M357-F387 HydrophobicContact CE-CD2 3.22Å; M357-F387 HydrophobicContact CE-CE2 3.36Å; M357-F387 HydrophobicContact CE-CG 4.04Å; M357-F387 HydrophobicContact CE-CZ 4.26Å; M357-F387 WeakPolarHBondContact CE-O 3.3Å; M357-A390 HydrophobicContact CE-CB 3.92Å; M357-A390 HydrophobicContact SD-CB 3.65Å; M357-A391 HydrophobicContact CE-CB 4.37Å; M357-A391 HydrophobicContact SD-CB 4.41Å; M357-I394 HydrophobicContact CB-CD1 4.49Å; M357-I394 HydrophobicContact CG-CD1 3.76Å; M357-I394 HydrophobicContact SD-CD1 3.53Å; M357-I394 VanDerWaalsContact SD-CD1 3.53Å
358A81Confident70.8Confident51 Ų5162.7 Ų62.742%0.42131%0.313SS..Hα-helixtrans-59.5-44-179.200000112.4P354 E355 D356 E362P354-A358 WeakPolarHBondContact O-CB 3.35Å; P354-A358 PolarHBondContact O-N 2.83Å; E355-A358 PolarHBondContact O-N 2.72Å; D356-A358 PolarHBondContact O-N 3.14Å; A358-E362 PolarHBondContact O-N 3.46Å; A358-E362 VanDerWaalsContact O-N 3.1Å
359I75.9Confident72.4Confident6 Ų664 Ų643%0.03132%0.319CS..Hα-helixtrans-64-45.5179.3-65.7163.8000111E355 D356 M357 N363 M492 M493E355-I359 WeakPolarHBondContact O-CG1 3.44Å; E355-I359 PolarHBondContact O-N 2.89Å; E355-I359 VanDerWaalsContact O-N 3.15Å; D356-I359 PolarHBondContact O-N 3.02Å; M357-I359 VanDerWaalsContact C-N 3.35Å; M357-I359 PolarHBondContact O-N 3.44Å; I359-N363 PolarHBondContact O-N 3.02Å; I359-N363 PolarHBondContact O-ND2 3.48Å; I359-M492 HydrophobicContact CD1-CB 4.14Å; I359-M492 HydrophobicContact CD1-SD 4.33Å; I359-M492 HydrophobicContact CG2-CE 3.59Å; I359-M493 HydrophobicContact CD1-CG 4.36Å
360V78.4Confident73.8Confident2 Ų261.8 Ų61.81%0.01231%0.313CS..Hα-helixtrans-68.8-41.2-178.2177.80000111.3D356 M357 E362 N363 L364 A390 I394 M399 T400D356-V360 VanDerWaalsContact O-CG2 3.27Å; D356-V360 WeakPolarHBondContact O-CG2 3.23Å; D356-V360 PolarHBondContact O-N 3.1Å; M357-V360 PolarHBondContact O-N 3.26Å; V360-E362 VanDerWaalsContact C-N 3.35Å; V360-E362 PolarHBondContact O-N 3.03Å; V360-N363 PolarHBondContact O-N 3.39Å; V360-L364 HydrophobicContact CG1-CD1 4.29Å; V360-L364 WeakPolarHBondContact O-CG 3.33Å; V360-L364 PolarHBondContact O-N 2.98Å; V360-A390 HydrophobicContact CB-CB 4.14Å; V360-A390 HydrophobicContact CG1-CB 3.71Å; V360-I394 HydrophobicContact CG2-CD1 4.33Å; V360-I394 HydrophobicContact CG2-CG1 4.12Å; V360-M399 HydrophobicContact CG1-CB 4.5Å; V360-M399 HydrophobicContact CG1-CE 3.18Å; V360-M399 HydrophobicContact CG1-SD 4.28Å; V360-T400 HydrophobicContact CG2-CG2 4.3Å
361Q85.4Confident75.2Confident48 Ų4859.7 Ų59.722%0.22430%0.304CS..Hα-helixtrans-61.5-41.3177-75-177.8-42.600112.3M357 L364 R365 I386 A390M357-Q361 HydrophobicContact CE-CG 4.47Å; M357-Q361 VanDerWaalsContact O-CB 3.28Å; M357-Q361 WeakPolarHBondContact O-CB 3.47Å; M357-Q361 WeakPolarHBondContact O-CG 3.4Å; M357-Q361 PolarHBondContact O-N 3.32Å; Q361-L364 PolarHBondContact O-N 3.11Å; Q361-R365 WeakPolarHBondContact O-CB 3.32Å; Q361-R365 PolarHBondContact O-N 3.16Å; Q361-I386 HydrophobicContact CB-CG2 3.7Å; Q361-I386 HydrophobicContact CG-CG2 3.8Å; Q361-I386 WeakPolarHBondContact O-CG2 3.31Å; Q361-A390 HydrophobicContact CG-CB 3.57Å
362E81.5Confident75.9Confident65 Ų6557.2 Ų57.230%0.30430%0.298SS..Hα-helixtrans-62.7-46178-174.564.4-176.600111.4A358 V360 L364 R365 V366 Q500A358-E362 PolarHBondContact O-N 3.46Å; A358-E362 VanDerWaalsContact O-N 3.1Å; V360-E362 VanDerWaalsContact C-N 3.35Å; V360-E362 PolarHBondContact O-N 3.03Å; E362-L364 VanDerWaalsContact C-N 3.28Å; E362-L364 PolarHBondContact O-N 2.63Å; E362-R365 WeakPolarHBondContact O-CB 3.28Å; E362-R365 PolarHBondContact O-N 3.23Å; E362-R365 VanDerWaalsContact O-N 3.12Å; E362-V366 WeakPolarHBondContact O-CG2 3.18Å; E362-V366 PolarHBondContact O-N 2.78Å; E362-V366 VanDerWaalsContact O-N 3.09Å; E362-Q500 PolarHBondContact OE1-NE2 3.12Å
363N75.8Confident76Confident25 Ų2557 Ų5713%0.13430%0.3CS..Hα-helixtrans-60.3-37.4176.2-73.7-33.4000112.6I359 V360 T400I359-N363 PolarHBondContact O-N 3.02Å; I359-N363 PolarHBondContact O-ND2 3.48Å; V360-N363 PolarHBondContact O-N 3.39Å; N363-T400 WeakPolarHBondContact ND2-CG2 3.22Å
364L82.8Confident75.7Confident1 Ų161.8 Ų61.81%0.00532%0.317CS..Hα-helixtrans-68.5-43.3174.3-74.8169.4000111.4I310 V360 Q361 E362 V366 R367 F368 I386 A390 M399I310-L364 HydrophobicContact CG2-CD2 4.04Å; V360-L364 HydrophobicContact CG1-CD1 4.29Å; V360-L364 WeakPolarHBondContact O-CG 3.33Å; V360-L364 PolarHBondContact O-N 2.98Å; Q361-L364 PolarHBondContact O-N 3.11Å; E362-L364 VanDerWaalsContact C-N 3.28Å; E362-L364 PolarHBondContact O-N 2.63Å; L364-V366 PolarHBondContact O-N 3.1Å; L364-R367 PolarHBondContact O-N 3.46Å; L364-R367 VanDerWaalsContact O-N 3.09Å; L364-F368 HydrophobicContact CB-CD2 4.44Å; L364-F368 VanDerWaalsContact O-CD2 3.29Å; L364-F368 WeakPolarHBondContact O-CD2 3.5Å; L364-F368 PolarHBondContact O-N 2.55Å; L364-I386 HydrophobicContact CB-CG1 4.47Å; L364-I386 HydrophobicContact CB-CG2 4.1Å; L364-A390 HydrophobicContact CD1-CB 4.01Å; L364-M399 HydrophobicContact CD1-CE 3.59Å; L364-M399 HydrophobicContact CD2-CE 3.64Å; L364-M399 HydrophobicContact CD2-SD 4.3Å; L364-M399 HydrophobicContact CG-CE 3.56Å; L364-M399 HydrophobicContact CG-SD 4.5Å
365R85.5Confident75Confident77 Ų7765.4 Ų65.429%0.29133%0.33SS..Hα-helixtrans-57.6-50.7-178.7-170.7179.7-64.9-77.5-1111.8Q361 E362 R367 F368 E369 D383 I386Q361-R365 WeakPolarHBondContact O-CB 3.32Å; Q361-R365 PolarHBondContact O-N 3.16Å; E362-R365 WeakPolarHBondContact O-CB 3.28Å; E362-R365 PolarHBondContact O-N 3.23Å; E362-R365 VanDerWaalsContact O-N 3.12Å; R365-R367 PolarHBondContact O-N 2.98Å; R365-R367 VanDerWaalsContact O-N 3.14Å; R365-F368 PolarHBondContact O-N 3.19Å; R365-F368 VanDerWaalsContact O-N 3.12Å; R365-E369 WeakPolarHBondContact O-CG 3.4Å; R365-E369 PolarHBondContact O-N 3.13Å; R365-D383 IonicContact CZ-OD1 3.46Å; R365-D383 IonicContact NH1-OD1 2.7Å; R365-D383 PolarHBondContact NH1-OD1 2.9Å; R365-D383 IonicContact NH2-OD1 3.15Å; R365-D383 PolarHBondContact NH2-OD1 3.19Å; R365-I386 HydrophobicContact CB-CD1 3.98Å; R365-I386 HydrophobicContact CG-CD1 4.15Å
366V78.3Confident74.9Confident68 Ų6861.6 Ų61.641%0.41231%0.314SS..Hα-helixtrans-55.1-35.3176.9173.60000111.6E362 L364 N370E362-V366 WeakPolarHBondContact O-CG2 3.18Å; E362-V366 PolarHBondContact O-N 2.78Å; E362-V366 VanDerWaalsContact O-N 3.09Å; L364-V366 PolarHBondContact O-N 3.1Å; V366-N370 PolarHBondContact O-ND2 2.98Å
367R74.7Confident75.3Confident47 Ų4764.5 Ų64.518%0.17733%0.329CS..Hα-helixtrans-78-41178.6-74.2167.6173.2139.7-3.7112.9L313 L364 R365 E369 N370 I371 E401L313-R367 VanDerWaalsContact CD1-CD 3.41Å; L313-R367 VanDerWaalsContact CD2-CZ 3.4Å; L364-R367 PolarHBondContact O-N 3.46Å; L364-R367 VanDerWaalsContact O-N 3.09Å; R365-R367 PolarHBondContact O-N 2.98Å; R365-R367 VanDerWaalsContact O-N 3.14Å; R367-E369 PolarHBondContact O-N 3.27Å; R367-N370 CarbonylContact O-C 3.58Å; R367-N370 WeakPolarHBondContact O-CA 3.38Å; R367-N370 PolarHBondContact O-N 3.06Å; R367-I371 WeakPolarHBondContact O-CG1 3.37Å; R367-I371 PolarHBondContact O-N 3.37Å; R367-E401 IonicContact CZ-OE1 2.81Å; R367-E401 IonicContact NH2-OE1 3.51Å; R367-E401 PolarHBondContact NH2-OE1 3.09Å; R367-E401 IonicContact NH2-OE2 3.55Å
368F81.5Confident75.7Confident9 Ų964 Ų644%0.03933%0.326CS..Hα-helixtrans-60.8-32.2174.1-87.6-74.8000112.6F305 I310 L364 R365 N370 I371 P373 Y379 L382 I386 Y389F305-F368 HydrophobicContact CE1-CE1 4.14Å; I310-F368 HydrophobicContact CD1-CE1 3.99Å; I310-F368 HydrophobicContact CD1-CE2 3.84Å; I310-F368 HydrophobicContact CD1-CZ 3.41Å; I310-F368 VanDerWaalsContact CD1-CZ 3.41Å; L364-F368 HydrophobicContact CB-CD2 4.44Å; L364-F368 VanDerWaalsContact O-CD2 3.29Å; L364-F368 WeakPolarHBondContact O-CD2 3.5Å; L364-F368 PolarHBondContact O-N 2.55Å; R365-F368 PolarHBondContact O-N 3.19Å; R365-F368 VanDerWaalsContact O-N 3.12Å; F368-N370 VanDerWaalsContact C-N 3.27Å; F368-N370 PolarHBondContact O-N 3.14Å; F368-I371 CarbonylContact O-C 3.58Å; F368-I371 PolarHBondContact O-N 3.34Å; F368-P373 HydrophobicContact CD1-CG 4.46Å; F368-Y379 HydrophobicContact CE1-CD1 4.23Å; F368-Y379 HydrophobicContact CE1-CE1 4.17Å; F368-Y379 HydrophobicContact CZ-CE1 4.37Å; F368-L382 HydrophobicContact CB-CD1 4.05Å; F368-L382 HydrophobicContact CB-CD2 4.33Å; F368-L382 HydrophobicContact CD1-CD1 3.57Å; F368-L382 HydrophobicContact CD2-CD1 4.11Å; F368-L382 HydrophobicContact CE1-CD1 3.88Å; F368-L382 HydrophobicContact CE2-CD1 4.41Å; F368-L382 HydrophobicContact CG-CD1 3.66Å; F368-L382 HydrophobicContact CZ-CD1 4.26Å; F368-I386 HydrophobicContact CD2-CD1 4.17Å; F368-I386 HydrophobicContact CD2-CG1 3.68Å; F368-I386 HydrophobicContact CE2-CG1 3.83Å; F368-Y389 HydrophobicContact CE2-CD2 4.01Å; F368-Y389 HydrophobicContact CE2-CE2 4.39Å; F368-Y389 AromaticContact CZ-CD2 3.77Å; F368-Y389 HydrophobicContact CZ-CD2 3.77Å; F368-Y389 AromaticContact CZ-CE2 3.69Å; F368-Y389 HydrophobicContact CZ-CE2 3.69Å
369E78.4Confident75.9Confident142 Ų14262.3 Ų62.366%0.66431%0.309SS*.Hα-helixtrans-63.7-34.5172-71.5174.8177.700112.4R365 R367R365-E369 WeakPolarHBondContact O-CG 3.4Å; R365-E369 PolarHBondContact O-N 3.13Å; R367-E369 PolarHBondContact O-N 3.27Å
370N71.8Confident76.4Confident131 Ų13165.2 Ų65.270%0.70133%0.331SS*.Hα-helixtrans-84.1-23.5178.8-71.7-54.7000113.5V366 R367 F368V366-N370 PolarHBondContact O-ND2 2.98Å; R367-N370 CarbonylContact O-C 3.58Å; R367-N370 WeakPolarHBondContact O-CA 3.38Å; R367-N370 PolarHBondContact O-N 3.06Å; F368-N370 VanDerWaalsContact C-N 3.27Å; F368-N370 PolarHBondContact O-N 3.14Å
371I73.3Confident76.7Confident46 Ų4668.5 Ų68.524%0.23635%0.346CS..SBendtrans-114.487.8-176.9-52.9175000107F305 N309 R367 F368 P373F305-I371 HydrophobicContact CE2-CG2 3.79Å; F305-I371 HydrophobicContact CZ-CB 4.49Å; F305-I371 HydrophobicContact CZ-CG2 3.49Å; F305-I371 VanDerWaalsContact CZ-CG2 3.49Å; N309-I371 HydrophobicContact CB-CD1 3.93Å; N309-I371 HydrophobicContact CB-CG2 3.8Å; R367-I371 WeakPolarHBondContact O-CG1 3.37Å; R367-I371 PolarHBondContact O-N 3.37Å; F368-I371 CarbonylContact O-C 3.58Å; F368-I371 PolarHBondContact O-N 3.34Å; I371-P373 WeakPolarHBondContact O-CD 3.36Å
372C63.9Low76.8Confident111 Ų11168.8 Ų68.875%0.7535%0.348SS*.  trans-54.9109.6178.4-163.20000108.8R374C372-R374 PolarHBondContact O-N 3.31Å
373P63.2Low77.1Confident31 Ų3170.3 Ų70.320%0.20136%0.359CS..  trans-62.9120.2175.77.10.3000105.6F305 F368 I371 N375 Y379F305-P373 HydrophobicContact CZ-CB 4.22Å; F368-P373 HydrophobicContact CD1-CG 4.46Å; I371-P373 WeakPolarHBondContact O-CD 3.36Å; P373-N375 PolarHBondContact O-N 3.08Å; P373-Y379 HydrophobicContact CB-CD2 3.65Å; P373-Y379 HydrophobicContact CB-CE2 4.48Å; P373-Y379 HydrophobicContact CB-CG 3.89Å
374R58.1Low77.7Confident221 Ų22171.6 Ų71.683%0.83436%0.362SS*.  trans-46.9140.2167.3-75-176.6176.2-175.30.4107.1C372 S376C372-R374 PolarHBondContact O-N 3.31Å; R374-S376 WeakPolarHBondContact O-CB 3.15Å; R374-S376 PolarHBondContact O-N 3.32Å
375N59Low78Confident182 Ų18271.5 Ų71.597%0.97336%0.362SS*.SBendtrans-43.868.7179.8-76.5-17.3000114P373P373-N375 PolarHBondContact O-N 3.08Å
376S71.8Confident78.1Confident15 Ų1567.9 Ų67.911%0.10535%0.348CS..  trans-103.2128.6-179.6111.80000105.2R374 I378 Y379R374-S376 WeakPolarHBondContact O-CB 3.15Å; R374-S376 PolarHBondContact O-N 3.32Å; S376-I378 PolarHBondContact O-N 3.05Å; S376-I378 VanDerWaalsContact O-N 3.1Å; S376-I378 PolarHBondContact OG-N 3.46Å; S376-Y379 PolarHBondContact O-N 2.98Å; S376-Y379 WeakPolarHBondContact OG-CD2 3.46Å; S376-Y379 PolarHBondContact OG-N 3.15Å
377L82.6Confident78.6Confident65 Ų6568.5 Ų68.534%0.3435%0.345SS..G310 helixtrans-52.1-35.4178.7-177.659.9000111.2L336 S339 F340 Y379 S380L336-L377 HydrophobicContact CD1-CD2 4.06Å; S339-L377 VanDerWaalsContact CB-O 3.31Å; S339-L377 WeakPolarHBondContact CB-O 3.12Å; S339-L377 PolarHBondContact OG-O 2.99Å; F340-L377 HydrophobicContact CD2-CD2 3.59Å; F340-L377 HydrophobicContact CE2-CD2 3.56Å; L377-Y379 VanDerWaalsContact C-N 3.3Å; L377-Y379 PolarHBondContact O-N 3.21Å; L377-S380 VanDerWaalsContact O-CB 3.23Å; L377-S380 WeakPolarHBondContact O-CB 3.43Å; L377-S380 PolarHBondContact O-N 3.15Å; L377-S380 VanDerWaalsContact O-N 3.12Å; L377-S380 PolarHBondContact O-OG 3.44Å
378I86.9Confident79.2Confident0 Ų066.8 Ų66.80%034%0.339CS..G310 helixtrans-59.8-33179.5-75178.7000113.5N298 I299 A302 H332 L335 L336 S376N298-I378 HydrophobicContact CB-CD1 3.64Å; N298-I378 HydrophobicContact CB-CG1 4Å; N298-I378 VanDerWaalsContact O-CD1 3.3Å; N298-I378 WeakPolarHBondContact O-CD1 3.33Å; I299-I378 HydrophobicContact CG1-CD1 4.12Å; A302-I378 HydrophobicContact CB-CB 4.41Å; A302-I378 HydrophobicContact CB-CD1 3.73Å; A302-I378 HydrophobicContact CB-CG2 3.87Å; H332-I378 HydrophobicContact CB-CD1 4.11Å; L335-I378 HydrophobicContact CB-CB 4.44Å; L335-I378 HydrophobicContact CB-CG2 3.72Å; L335-I378 HydrophobicContact CD1-CG2 3.67Å; L335-I378 HydrophobicContact CG-CG2 4.33Å; L336-I378 HydrophobicContact CB-CG1 4.45Å; S376-I378 PolarHBondContact O-N 3.05Å; S376-I378 VanDerWaalsContact O-N 3.1Å; S376-I378 PolarHBondContact OG-N 3.46Å
379Y85.6Confident79.5Confident16 Ų1666.3 Ų66.36%0.06334%0.337CS..G310 helixtrans-957.7179.4-61.9-58.3000113.7A302 F305 F368 P373 S376 L377 Q381 A385 Y389A302-Y379 HydrophobicContact CB-CE2 4.33Å; A302-Y379 PolarHBondContact O-OH 3.43Å; F305-Y379 HydrophobicContact CB-CE2 4.43Å; F305-Y379 AromaticContact CD1-CE2 3.65Å; F305-Y379 HydrophobicContact CD1-CE2 3.65Å; F305-Y379 AromaticContact CD1-CZ 3.68Å; F305-Y379 WeakPolarHBondContact CD1-OH 3.12Å; F305-Y379 HydrophobicContact CE1-CE2 4.09Å; F305-Y379 HydrophobicContact CG-CE2 4.08Å; F368-Y379 HydrophobicContact CE1-CD1 4.23Å; F368-Y379 HydrophobicContact CE1-CE1 4.17Å; F368-Y379 HydrophobicContact CZ-CE1 4.37Å; P373-Y379 HydrophobicContact CB-CD2 3.65Å; P373-Y379 HydrophobicContact CB-CE2 4.48Å; P373-Y379 HydrophobicContact CB-CG 3.89Å; S376-Y379 PolarHBondContact O-N 2.98Å; S376-Y379 WeakPolarHBondContact OG-CD2 3.46Å; S376-Y379 PolarHBondContact OG-N 3.15Å; L377-Y379 VanDerWaalsContact C-N 3.3Å; L377-Y379 PolarHBondContact O-N 3.21Å; Y379-Q381 PolarHBondContact O-N 3.16Å; Y379-A385 HydrophobicContact CD1-CB 4.13Å; Y379-A385 HydrophobicContact CE1-CB 4.44Å; Y379-Y389 HydrophobicContact CE1-CE2 4.04Å; Y379-Y389 WeakPolarHBondContact CE1-OH 3.44Å; Y379-Y389 PolarHBondContact OH-OH 2.94Å
380S86.1Confident79.7Confident68 Ų6859.6 Ų59.648%0.47631%0.306SS..G310 helixtrans-62-21172.667.20000113S339 L377S339-S380 WeakPolarHBondContact CB-OG 3.39Å; S339-S380 PolarHBondContact OG-OG 3.25Å; S339-S380 VanDerWaalsContact OG-OG 3.14Å; L377-S380 VanDerWaalsContact O-CB 3.23Å; L377-S380 WeakPolarHBondContact O-CB 3.43Å; L377-S380 PolarHBondContact O-N 3.15Å; L377-S380 VanDerWaalsContact O-N 3.12Å; L377-S380 PolarHBondContact O-OG 3.44Å
381Q85.4Confident80.3Confident71 Ų7154 Ų5433%0.33228%0.278SS..G310 helixtrans-115.157.7-179.5-61.7-71.7-3800110.1K338 Y379 D383 Y384 A385K338-Q381 HydrophobicContact CB-CG 4.49Å; K338-Q381 HydrophobicContact CG-CB 3.96Å; K338-Q381 HydrophobicContact CG-CG 3.79Å; Y379-Q381 PolarHBondContact O-N 3.16Å; Q381-D383 VanDerWaalsContact C-N 3.33Å; Q381-D383 PolarHBondContact O-N 2.87Å; Q381-Y384 WeakPolarHBondContact O-CB 3.49Å; Q381-Y384 PolarHBondContact O-N 3.45Å; Q381-A385 PolarHBondContact O-N 3.29Å
382L87Confident80.8Confident53 Ų5352.3 Ų52.328%0.27727%0.269SS..Hα-helixtrans-54.7-41.8-168.6-179.161.1000113.8F368 Y384 A385 I386F368-L382 HydrophobicContact CB-CD1 4.05Å; F368-L382 HydrophobicContact CB-CD2 4.33Å; F368-L382 HydrophobicContact CD1-CD1 3.57Å; F368-L382 HydrophobicContact CD2-CD1 4.11Å; F368-L382 HydrophobicContact CE1-CD1 3.88Å; F368-L382 HydrophobicContact CE2-CD1 4.41Å; F368-L382 HydrophobicContact CG-CD1 3.66Å; F368-L382 HydrophobicContact CZ-CD1 4.26Å; L382-Y384 VanDerWaalsContact C-N 3.25Å; L382-Y384 PolarHBondContact O-N 3.48Å; L382-A385 WeakPolarHBondContact O-CB 3.48Å; L382-A385 PolarHBondContact O-N 2.82Å; L382-A385 VanDerWaalsContact O-N 3.15Å; L382-I386 HydrophobicContact CD1-CD1 4.1Å; L382-I386 HydrophobicContact CD1-CG1 4.17Å; L382-I386 HydrophobicContact CD2-CD1 4.41Å; L382-I386 HydrophobicContact CG-CD1 3.83Å; L382-I386 HydrophobicContact CG-CG1 4.35Å; L382-I386 WeakPolarHBondContact O-CG1 3.44Å; L382-I386 PolarHBondContact O-N 2.8Å
383D87.6Confident81.5Confident98 Ų9847 Ų4752%0.52423%0.233SC..Hα-helixtrans-59.7-38.8177.9-71.8-39.3000112.2R365 Q381 F387R365-D383 IonicContact CZ-OD1 3.46Å; R365-D383 IonicContact NH1-OD1 2.7Å; R365-D383 PolarHBondContact NH1-OD1 2.9Å; R365-D383 IonicContact NH2-OD1 3.15Å; R365-D383 PolarHBondContact NH2-OD1 3.19Å; Q381-D383 VanDerWaalsContact C-N 3.33Å; Q381-D383 PolarHBondContact O-N 2.87Å; D383-F387 WeakPolarHBondContact O-CB 3.5Å; D383-F387 PolarHBondContact O-N 3.25Å
384Y87.7Confident82Confident51 Ų5147.2 Ų47.220%0.223%0.232CC..Hα-helixtrans-73.4-35.3177.4-169.7-121.1000112L335 K338 V344 Q381 L382 F387 L388L335-Y384 HydrophobicContact CD2-CD1 3.7Å; L335-Y384 HydrophobicContact CD2-CE1 4.33Å; L335-Y384 HydrophobicContact CD2-CG 4.47Å; K338-Y384 HydrophobicContact CB-CD1 3.82Å; K338-Y384 HydrophobicContact CB-CE1 4.16Å; K338-Y384 HydrophobicContact CD-CD1 4.28Å; K338-Y384 HydrophobicContact CG-CD1 3.72Å; K338-Y384 HydrophobicContact CG-CE1 4.38Å; K338-Y384 HydrophobicContact CG-CG 4.3Å; V344-Y384 HydrophobicContact CB-CE1 4.43Å; V344-Y384 HydrophobicContact CG1-CE1 4.18Å; V344-Y384 WeakPolarHBondContact CG1-OH 3.32Å; V344-Y384 HydrophobicContact CG2-CD1 4.26Å; V344-Y384 HydrophobicContact CG2-CE1 3.49Å; V344-Y384 VanDerWaalsContact CG2-CE1 3.49Å; Q381-Y384 WeakPolarHBondContact O-CB 3.49Å; Q381-Y384 PolarHBondContact O-N 3.45Å; L382-Y384 VanDerWaalsContact C-N 3.25Å; L382-Y384 PolarHBondContact O-N 3.48Å; Y384-F387 HydrophobicContact CD2-CD1 4.08Å; Y384-F387 AromaticContact CE2-CD1 3.8Å; Y384-F387 HydrophobicContact CE2-CD1 3.8Å; Y384-F387 HydrophobicContact CE2-CE1 4.25Å; Y384-F387 WeakPolarHBondContact O-CB 3.25Å; Y384-F387 PolarHBondContact O-N 2.8Å; Y384-L388 HydrophobicContact CD1-CD1 4.16Å; Y384-L388 HydrophobicContact CE1-CD1 3.56Å; Y384-L388 HydrophobicContact CE1-CG 4.13Å; Y384-L388 HydrophobicContact CE2-CD2 4.36Å; Y384-L388 HydrophobicContact CE2-CG 4.25Å; Y384-L388 WeakPolarHBondContact O-CG 3.33Å; Y384-L388 PolarHBondContact O-N 2.79Å
385A89.3Confident82.8Confident0 Ų039.3 Ų39.30%021%0.214CC..Hα-helixtrans-62.2-46.2171.400000111.9L335 Y379 Q381 L382 F387 L388 Y389L335-A385 HydrophobicContact CD1-CB 3.83Å; L335-A385 HydrophobicContact CD2-CB 3.76Å; L335-A385 HydrophobicContact CG-CB 4.48Å; Y379-A385 HydrophobicContact CD1-CB 4.13Å; Y379-A385 HydrophobicContact CE1-CB 4.44Å; Q381-A385 PolarHBondContact O-N 3.29Å; L382-A385 WeakPolarHBondContact O-CB 3.48Å; L382-A385 PolarHBondContact O-N 2.82Å; L382-A385 VanDerWaalsContact O-N 3.15Å; A385-F387 VanDerWaalsContact C-N 3.31Å; A385-F387 PolarHBondContact O-N 2.82Å; A385-L388 PolarHBondContact O-N 3.23Å; A385-Y389 PolarHBondContact O-N 2.81Å
386I88.5Confident83.4Confident0 Ų032.9 Ų32.90%018%0.18CC..Hα-helixtrans-59.4-43.2175.6-72.3167.7000110.5Q361 L364 R365 F368 L382 A390Q361-I386 HydrophobicContact CB-CG2 3.7Å; Q361-I386 HydrophobicContact CG-CG2 3.8Å; Q361-I386 WeakPolarHBondContact O-CG2 3.31Å; L364-I386 HydrophobicContact CB-CG1 4.47Å; L364-I386 HydrophobicContact CB-CG2 4.1Å; R365-I386 HydrophobicContact CB-CD1 3.98Å; R365-I386 HydrophobicContact CG-CD1 4.15Å; F368-I386 HydrophobicContact CD2-CD1 4.17Å; F368-I386 HydrophobicContact CD2-CG1 3.68Å; F368-I386 HydrophobicContact CE2-CG1 3.83Å; L382-I386 HydrophobicContact CD1-CD1 4.1Å; L382-I386 HydrophobicContact CD1-CG1 4.17Å; L382-I386 HydrophobicContact CD2-CD1 4.41Å; L382-I386 HydrophobicContact CG-CD1 3.83Å; L382-I386 HydrophobicContact CG-CG1 4.35Å; L382-I386 WeakPolarHBondContact O-CG1 3.44Å; L382-I386 PolarHBondContact O-N 2.8Å; I386-A390 VanDerWaalsContact O-CB 3.26Å; I386-A390 WeakPolarHBondContact O-CB 3.17Å; I386-A390 PolarHBondContact O-N 3.45Å
387F87.7Confident83.2Confident82 Ų8236.2 Ų36.236%0.3619%0.194SC..Hα-helixtrans-58-51.2173.4171.8-94.1000112.6M357 D383 Y384 A385 Y389 A390 A391M357-F387 HydrophobicContact CE-CD2 3.22Å; M357-F387 HydrophobicContact CE-CE2 3.36Å; M357-F387 HydrophobicContact CE-CG 4.04Å; M357-F387 HydrophobicContact CE-CZ 4.26Å; M357-F387 WeakPolarHBondContact CE-O 3.3Å; D383-F387 WeakPolarHBondContact O-CB 3.5Å; D383-F387 PolarHBondContact O-N 3.25Å; Y384-F387 HydrophobicContact CD2-CD1 4.08Å; Y384-F387 AromaticContact CE2-CD1 3.8Å; Y384-F387 HydrophobicContact CE2-CD1 3.8Å; Y384-F387 HydrophobicContact CE2-CE1 4.25Å; Y384-F387 WeakPolarHBondContact O-CB 3.25Å; Y384-F387 PolarHBondContact O-N 2.8Å; A385-F387 VanDerWaalsContact C-N 3.31Å; A385-F387 PolarHBondContact O-N 2.82Å; F387-Y389 PolarHBondContact O-N 3.02Å; F387-A390 PolarHBondContact O-N 3.28Å; F387-A391 PolarHBondContact O-N 3Å
388L87.8Confident82.3Confident10 Ų1033.6 Ų33.65%0.05218%0.18CC..Hα-helixtrans-65.7-38.6-178.4-70.3-179.9000112.5I331 R334 L335 Y384 A385 A391 L392I331-L388 HydrophobicContact CD1-CB 4.48Å; I331-L388 HydrophobicContact CG1-CB 4.32Å; I331-L388 HydrophobicContact CG2-CB 3.73Å; I331-L388 HydrophobicContact CG2-CD1 3.85Å; I331-L388 HydrophobicContact CG2-CG 4.44Å; R334-L388 HydrophobicContact CB-CD1 4.13Å; L335-L388 HydrophobicContact CD2-CD1 4.11Å; L335-L388 HydrophobicContact CG-CD1 4.06Å; Y384-L388 HydrophobicContact CD1-CD1 4.16Å; Y384-L388 HydrophobicContact CE1-CD1 3.56Å; Y384-L388 HydrophobicContact CE1-CG 4.13Å; Y384-L388 HydrophobicContact CE2-CD2 4.36Å; Y384-L388 HydrophobicContact CE2-CG 4.25Å; Y384-L388 WeakPolarHBondContact O-CG 3.33Å; Y384-L388 PolarHBondContact O-N 2.79Å; A385-L388 PolarHBondContact O-N 3.23Å; L388-A391 PolarHBondContact O-N 2.93Å; L388-L392 WeakPolarHBondContact O-CB 3.26Å; L388-L392 PolarHBondContact O-N 3.3Å
389Y87.6Confident81.1Confident0 Ų033.8 Ų33.80%018%0.181CC..Hα-helixtrans-71.1-33.8176.3-66.1-15.8000112.6F306 I310 L328 I331 H332 F368 Y379 A385 F387 S393F306-Y389 HydrophobicContact CD2-CD1 4.26Å; F306-Y389 HydrophobicContact CD2-CD2 4.14Å; F306-Y389 AromaticContact CD2-CE1 3.96Å; F306-Y389 HydrophobicContact CD2-CE1 3.96Å; F306-Y389 AromaticContact CD2-CE2 3.8Å; F306-Y389 HydrophobicContact CD2-CE2 3.8Å; F306-Y389 HydrophobicContact CD2-CG 4.38Å; F306-Y389 AromaticContact CD2-CZ 3.76Å; F306-Y389 AromaticContact CE2-CD1 3.99Å; F306-Y389 HydrophobicContact CE2-CD1 3.99Å; F306-Y389 HydrophobicContact CE2-CD2 4.12Å; F306-Y389 HydrophobicContact CE2-CE1 4.15Å; F306-Y389 HydrophobicContact CE2-CE2 4.24Å; F306-Y389 HydrophobicContact CE2-CG 4.01Å; I310-Y389 HydrophobicContact CD1-CD2 3.83Å; I310-Y389 HydrophobicContact CD1-CE2 3.71Å; L328-Y389 HydrophobicContact CD2-CE1 4.13Å; I331-Y389 HydrophobicContact CG2-CD1 3.92Å; I331-Y389 HydrophobicContact CG2-CE1 3.52Å; H332-Y389 PolarHBondContact CD2-OH 3.35Å; H332-Y389 AromaticContact NE2-CE1 3.64Å; H332-Y389 AromaticContact NE2-CZ 3.58Å; H332-Y389 PolarHBondContact NE2-OH 3.34Å; F368-Y389 HydrophobicContact CE2-CD2 4.01Å; F368-Y389 HydrophobicContact CE2-CE2 4.39Å; F368-Y389 AromaticContact CZ-CD2 3.77Å; F368-Y389 HydrophobicContact CZ-CD2 3.77Å; F368-Y389 AromaticContact CZ-CE2 3.69Å; F368-Y389 HydrophobicContact CZ-CE2 3.69Å; Y379-Y389 HydrophobicContact CE1-CE2 4.04Å; Y379-Y389 WeakPolarHBondContact CE1-OH 3.44Å; Y379-Y389 PolarHBondContact OH-OH 2.94Å; A385-Y389 PolarHBondContact O-N 2.81Å; F387-Y389 PolarHBondContact O-N 3.02Å; Y389-S393 VanDerWaalsContact O-CB 3.24Å; Y389-S393 WeakPolarHBondContact O-CB 3.26Å; Y389-S393 PolarHBondContact O-N 3.02Å; Y389-S393 PolarHBondContact O-OG 3.2Å
390A83.9Confident79.7Confident0 Ų033.6 Ų33.60%018%0.181CC..Hα-helixtrans-63.9-43.9171.600000111.2M357 V360 Q361 L364 I386 F387 S393 I394M357-A390 HydrophobicContact CE-CB 3.92Å; M357-A390 HydrophobicContact SD-CB 3.65Å; V360-A390 HydrophobicContact CB-CB 4.14Å; V360-A390 HydrophobicContact CG1-CB 3.71Å; Q361-A390 HydrophobicContact CG-CB 3.57Å; L364-A390 HydrophobicContact CD1-CB 4.01Å; I386-A390 VanDerWaalsContact O-CB 3.26Å; I386-A390 WeakPolarHBondContact O-CB 3.17Å; I386-A390 PolarHBondContact O-N 3.45Å; F387-A390 PolarHBondContact O-N 3.28Å; A390-S393 WeakPolarHBondContact O-CB 3.4Å; A390-S393 PolarHBondContact O-N 2.53Å; A390-I394 WeakPolarHBondContact O-CG1 3.1Å; A390-I394 PolarHBondContact O-N 2.74Å
391A83.3Confident78.3Confident13 Ų1336.5 Ų36.511%0.10719%0.188CC..Hα-helixtrans-61.7-48.117600000112.2L352 M357 F387 L388 S393 I394 A395L352-A391 HydrophobicContact CD1-CB 3.54Å; M357-A391 HydrophobicContact CE-CB 4.37Å; M357-A391 HydrophobicContact SD-CB 4.41Å; F387-A391 PolarHBondContact O-N 3Å; L388-A391 PolarHBondContact O-N 2.93Å; A391-S393 PolarHBondContact O-N 2.92Å; A391-I394 PolarHBondContact O-N 3.28Å; A391-A395 VanDerWaalsContact O-CB 3.27Å; A391-A395 WeakPolarHBondContact O-CB 3.35Å; A391-A395 PolarHBondContact O-N 2.92Å
392L83.3Confident77.5Confident11 Ų1134.1 Ų34.16%0.05818%0.175CC..Hα-helixtrans-54-43.3174.3-179.470.9000111.5F306 L324 E327 L328 I331 L388 A395 N396F306-L392 HydrophobicContact CE2-CD2 4.39Å; F306-L392 HydrophobicContact CZ-CD2 4.07Å; L324-L392 HydrophobicContact CD1-CD1 4.09Å; L324-L392 HydrophobicContact CD1-CD2 3.84Å; L324-L392 HydrophobicContact CD1-CG 4.17Å; E327-L392 HydrophobicContact CB-CD1 3.66Å; E327-L392 HydrophobicContact CG-CD1 4.37Å; E327-L392 WeakPolarHBondContact OE2-CD1 3.39Å; L328-L392 HydrophobicContact CD2-CD2 3.57Å; L328-L392 HydrophobicContact CG-CD2 4.2Å; I331-L392 HydrophobicContact CD1-CB 3.75Å; I331-L392 HydrophobicContact CD1-CD1 3.83Å; I331-L392 HydrophobicContact CD1-CD2 3.88Å; I331-L392 HydrophobicContact CD1-CG 4.05Å; L388-L392 WeakPolarHBondContact O-CB 3.26Å; L388-L392 PolarHBondContact O-N 3.3Å; L392-A395 PolarHBondContact O-N 3.16Å; L392-N396 WeakPolarHBondContact O-CB 3.23Å; L392-N396 PolarHBondContact O-N 3.49Å; L392-N396 PolarHBondContact O-ND2 3.5Å
393S78.9Confident77.1Confident0 Ų035.5 Ų35.50%018%0.181CC..Hα-helixtrans-66.7-50.3-177.3-630000111.2F314 Y389 A390 A391 A395 N396 E397 F398 M399F314-S393 WeakPolarHBondContact CE1-OG 3.39Å; Y389-S393 VanDerWaalsContact O-CB 3.24Å; Y389-S393 WeakPolarHBondContact O-CB 3.26Å; Y389-S393 PolarHBondContact O-N 3.02Å; Y389-S393 PolarHBondContact O-OG 3.2Å; A390-S393 WeakPolarHBondContact O-CB 3.4Å; A390-S393 PolarHBondContact O-N 2.53Å; A391-S393 PolarHBondContact O-N 2.92Å; S393-A395 VanDerWaalsContact C-N 3.3Å; S393-A395 PolarHBondContact O-N 3.39Å; S393-N396 CarbonylContact O-C 3.58Å; S393-N396 PolarHBondContact O-N 2.84Å; S393-E397 PolarHBondContact O-N 3.23Å; S393-F398 CarbonylContact C-O 3.49Å; S393-F398 VanDerWaalsContact C-O 3.22Å; S393-F398 VanDerWaalsContact CB-O 3.29Å; S393-F398 WeakPolarHBondContact CB-O 3.5Å; S393-F398 WeakPolarHBondContact O-CA 3.33Å; S393-F398 PolarHBondContact O-N 3.38Å; S393-M399 VanDerWaalsContact CB-CE 3.42Å; S393-M399 WeakPolarHBondContact OG-CE 3.24Å
394I75.2Confident76.9Confident35 Ų3530.9 Ų30.918%0.17916%0.156CC..Hα-helixtrans-61.8-41.3177.5-63.6167.5000111L352 D356 M357 V360 A390 A391 N396 E397L352-I394 HydrophobicContact CD2-CB 3.99Å; L352-I394 HydrophobicContact CD2-CD1 4.42Å; L352-I394 HydrophobicContact CD2-CG2 3.6Å; D356-I394 HydrophobicContact CB-CD1 4.07Å; M357-I394 HydrophobicContact CB-CD1 4.49Å; M357-I394 HydrophobicContact CG-CD1 3.76Å; M357-I394 HydrophobicContact SD-CD1 3.53Å; M357-I394 VanDerWaalsContact SD-CD1 3.53Å; V360-I394 HydrophobicContact CG2-CD1 4.33Å; V360-I394 HydrophobicContact CG2-CG1 4.12Å; A390-I394 WeakPolarHBondContact O-CG1 3.1Å; A390-I394 PolarHBondContact O-N 2.74Å; A391-I394 PolarHBondContact O-N 3.28Å; I394-N396 VanDerWaalsContact C-N 3.3Å; I394-N396 PolarHBondContact O-N 2.9Å; I394-E397 PolarHBondContact O-N 2.95Å
395A73.7Confident76.9Confident55 Ų5529.5 Ų29.546%0.45515%0.154SC..Hα-helixtrans-62.4-37.5-179.500000112.7A391 L392 S393A391-A395 VanDerWaalsContact O-CB 3.27Å; A391-A395 WeakPolarHBondContact O-CB 3.35Å; A391-A395 PolarHBondContact O-N 2.92Å; L392-A395 PolarHBondContact O-N 3.16Å; S393-A395 VanDerWaalsContact C-N 3.3Å; S393-A395 PolarHBondContact O-N 3.39Å
396N72Confident76.9Confident47 Ų4729.5 Ų29.525%0.25115%0.154SC..THydrogen-bonded Turntrans-95.612.8178.8-72.5-82.8000113.3E327 L392 S393 I394 F398E327-N396 PolarHBondContact OE2-ND2 3.08Å; L392-N396 WeakPolarHBondContact O-CB 3.23Å; L392-N396 PolarHBondContact O-N 3.49Å; L392-N396 PolarHBondContact O-ND2 3.5Å; S393-N396 CarbonylContact O-C 3.58Å; S393-N396 PolarHBondContact O-N 2.84Å; I394-N396 VanDerWaalsContact C-N 3.3Å; I394-N396 PolarHBondContact O-N 2.9Å; N396-F398 HydrophobicContact CB-CD1 4.24Å; N396-F398 HydrophobicContact CB-CD2 3.26Å; N396-F398 HydrophobicContact CB-CE1 4.11Å; N396-F398 HydrophobicContact CB-CE2 3.11Å; N396-F398 HydrophobicContact CB-CG 3.83Å; N396-F398 HydrophobicContact CB-CZ 3.55Å; N396-F398 WeakPolarHBondContact O-CD1 3.46Å; N396-F398 WeakPolarHBondContact O-CE1 3.5Å; N396-F398 PolarHBondContact O-N 2.66Å
397E67.6Low76.8Confident86 Ų8630.3 Ų30.340%0.40216%0.157SC..THydrogen-bonded Turntrans55.226-177-55.1-175.3-170.700113.1S393 I394 N429 G430S393-E397 PolarHBondContact O-N 3.23Å; I394-E397 PolarHBondContact O-N 2.95Å; E397-N429 WeakPolarHBondContact CB-O 3.16Å; E397-N429 HydrophobicContact CG-CB 4.36Å; E397-N429 WeakPolarHBondContact CG-O 3.35Å; E397-N429 VanDerWaalsContact OE1-CG 3.23Å; E397-N429 PolarHBondContact OE1-ND2 3.33Å; E397-N429 PolarHBondContact OE1-OD1 2.89Å; E397-G430 WeakPolarHBondContact O-CA 3.42Å
398F62.9Low76.8Confident9 Ų927 Ų274%0.03914%0.143CC..  trans-86.2138.7172.6-56.2-36.6000109.6F314 F317 F319 L324 S393 N396F314-F398 HydrophobicContact CB-CG 4.36Å; F314-F398 HydrophobicContact CD1-CB 3.46Å; F314-F398 VanDerWaalsContact CD1-CB 3.46Å; F314-F398 HydrophobicContact CD1-CD2 4.35Å; F314-F398 HydrophobicContact CD1-CG 4.04Å; F314-F398 HydrophobicContact CE1-CB 3.84Å; F314-F398 HydrophobicContact CG-CB 4.28Å; F314-F398 HydrophobicContact CG-CD2 4.49Å; F314-F398 HydrophobicContact CG-CG 4.4Å; F317-F398 HydrophobicContact CB-CD1 3.93Å; F317-F398 HydrophobicContact CB-CE1 3.95Å; F317-F398 HydrophobicContact CD2-CD1 4.03Å; F317-F398 HydrophobicContact CG-CD1 4.06Å; F319-F398 HydrophobicContact CB-CE1 3.64Å; F319-F398 HydrophobicContact CB-CZ 3.43Å; F319-F398 VanDerWaalsContact CB-CZ 3.43Å; F319-F398 HydrophobicContact CD1-CD1 4.4Å; F319-F398 AromaticContact CD1-CE1 3.41Å; F319-F398 HydrophobicContact CD1-CE1 3.41Å; F319-F398 VanDerWaalsContact CD1-CE1 3.41Å; F319-F398 AromaticContact CD1-CZ 3.55Å; F319-F398 HydrophobicContact CD1-CZ 3.55Å; F319-F398 AromaticContact CD2-CZ 3.98Å; F319-F398 HydrophobicContact CD2-CZ 3.98Å; F319-F398 HydrophobicContact CE1-CE1 4.24Å; F319-F398 HydrophobicContact CE1-CZ 4.29Å; F319-F398 AromaticContact CG-CE1 3.67Å; F319-F398 HydrophobicContact CG-CE1 3.67Å; F319-F398 HydrophobicContact CG-CE2 4.46Å; F319-F398 AromaticContact CG-CZ 3.37Å; F319-F398 HydrophobicContact CG-CZ 3.37Å; L324-F398 HydrophobicContact CD1-CE2 4.05Å; L324-F398 HydrophobicContact CD2-CE2 4.18Å; S393-F398 CarbonylContact C-O 3.49Å; S393-F398 VanDerWaalsContact C-O 3.22Å; S393-F398 VanDerWaalsContact CB-O 3.29Å; S393-F398 WeakPolarHBondContact CB-O 3.5Å; S393-F398 WeakPolarHBondContact O-CA 3.33Å; S393-F398 PolarHBondContact O-N 3.38Å; N396-F398 HydrophobicContact CB-CD1 4.24Å; N396-F398 HydrophobicContact CB-CD2 3.26Å; N396-F398 HydrophobicContact CB-CE1 4.11Å; N396-F398 HydrophobicContact CB-CE2 3.11Å; N396-F398 HydrophobicContact CB-CG 3.83Å; N396-F398 HydrophobicContact CB-CZ 3.55Å; N396-F398 WeakPolarHBondContact O-CD1 3.46Å; N396-F398 WeakPolarHBondContact O-CE1 3.5Å; N396-F398 PolarHBondContact O-N 2.66Å
399M62.3Low76.6Confident5 Ų528.7 Ų28.73%0.02515%0.152CC..  trans92.3134.3173.6-54.9-139.6-99.500115.5F314 V360 L364 S393 G430 L431F314-M399 HydrophobicContact CD1-CG 3.84Å; F314-M399 HydrophobicContact CE1-CE 3.91Å; F314-M399 HydrophobicContact CE1-CG 3.32Å; F314-M399 HydrophobicContact CE1-SD 3.65Å; F314-M399 HydrophobicContact CZ-CE 4.15Å; F314-M399 HydrophobicContact CZ-CG 4.38Å; F314-M399 HydrophobicContact CZ-SD 4.22Å; V360-M399 HydrophobicContact CG1-CB 4.5Å; V360-M399 HydrophobicContact CG1-CE 3.18Å; V360-M399 HydrophobicContact CG1-SD 4.28Å; L364-M399 HydrophobicContact CD1-CE 3.59Å; L364-M399 HydrophobicContact CD2-CE 3.64Å; L364-M399 HydrophobicContact CD2-SD 4.3Å; L364-M399 HydrophobicContact CG-CE 3.56Å; L364-M399 HydrophobicContact CG-SD 4.5Å; S393-M399 VanDerWaalsContact CB-CE 3.42Å; S393-M399 WeakPolarHBondContact OG-CE 3.24Å; M399-G430 CarbonylContact C-O 3.57Å; M399-G430 CarbonylContact O-C 3.51Å; M399-L431 CarbonylContact C-O 3.48Å; M399-L431 CarbonylContact O-C 3.59Å; M399-L431 VanDerWaalsContact O-CA 3.24Å; M399-L431 WeakPolarHBondContact O-CA 3.11Å
400T56.7Low76.4Confident12 Ų1229.8 Ų29.87%0.07416%0.158CC..  cis-134.5175.738.451.10000112.9V360 N363 Y402 L431 M492V360-T400 HydrophobicContact CG2-CG2 4.3Å; N363-T400 WeakPolarHBondContact ND2-CG2 3.22Å; T400-Y402 HydrophobicContact CG2-CD2 4.41Å; T400-Y402 PolarHBondContact O-N 3.3Å; T400-Y402 VanDerWaalsContact O-N 3.09Å; T400-Y402 VanDerWaalsContact OG1-CB 3.24Å; T400-Y402 WeakPolarHBondContact OG1-CB 3.37Å; T400-Y402 PolarHBondContact OG1-N 3.21Å; T400-L431 PolarHBondContact N-O 3.34Å; T400-L431 PolarHBondContact OG1-O 2.73Å; T400-M492 HydrophobicContact CG2-CE 4.02Å
401E56.7Low76.1Confident129 Ų12933.4 Ų33.460%0.60318%0.183SC*.SBendtrans-64.3-3.7164.8-91-175.3-142.900112.1R367 E403R367-E401 IonicContact CZ-OE1 2.81Å; R367-E401 IonicContact NH2-OE1 3.51Å; R367-E401 PolarHBondContact NH2-OE1 3.09Å; R367-E401 IonicContact NH2-OE2 3.55Å; E401-E403 PolarHBondContact O-N 2.9Å
402Y67.3Low75.9Confident20 Ų2038.5 Ų38.58%0.07820%0.203CC..  trans-66.8105.8175.9-78.5-82.7000110.6T400 K433 M492 K495 N496 L499T400-Y402 HydrophobicContact CG2-CD2 4.41Å; T400-Y402 PolarHBondContact O-N 3.3Å; T400-Y402 VanDerWaalsContact O-N 3.09Å; T400-Y402 VanDerWaalsContact OG1-CB 3.24Å; T400-Y402 WeakPolarHBondContact OG1-CB 3.37Å; T400-Y402 PolarHBondContact OG1-N 3.21Å; Y402-K433 PolarHBondContact O-N 2.84Å; Y402-M492 HydrophobicContact CD2-CE 4Å; Y402-M492 HydrophobicContact CG-CE 4.26Å; Y402-K495 HydrophobicContact CD1-CB 4.38Å; Y402-K495 HydrophobicContact CD1-CD 3.98Å; Y402-K495 HydrophobicContact CE1-CB 3.59Å; Y402-K495 HydrophobicContact CE1-CD 3.95Å; Y402-K495 HydrophobicContact CE1-CG 4.43Å; Y402-N496 WeakPolarHBondContact OH-CA 3.36Å; Y402-N496 PolarHBondContact OH-N 3.36Å; Y402-N496 PolarHBondContact OH-OD1 2.96Å; Y402-L499 WeakPolarHBondContact OH-CD1 3.42Å
403E78.5Confident75.5Confident83 Ų8339.6 Ų39.639%0.38822%0.217SC..EExtended strand (participates in β ladder)trans-81.8128.8160.1-57.3-160.4162.200109.3E401 K433 N435 K495E401-E403 PolarHBondContact O-N 2.9Å; E403-K433 CarbonylContact C-O 3.18Å; E403-K433 WeakPolarHBondContact CA-O 3.28Å; E403-K433 HydrophobicContact CG-CB 4.22Å; E403-K433 HydrophobicContact CG-CD 4.04Å; E403-K433 HydrophobicContact CG-CG 4.35Å; E403-K433 WeakPolarHBondContact OE1-CD 3.47Å; E403-K433 VanDerWaalsContact OE1-CE 3.3Å; E403-K433 WeakPolarHBondContact OE1-CE 3.43Å; E403-K433 IonicContact OE1-NZ 3.25Å; E403-K433 PolarHBondContact OE1-NZ 3.49Å; E403-N435 PolarHBondContact OE2-ND2 3.46Å; E403-K495 PolarHBondContact O-NZ 2.93Å
404L84.4Confident75.3Confident1 Ų147 Ų471%0.00525%0.252CS..EExtended strand (participates in β ladder)trans-114.4110.9173.8-126137.1000108I406 V432 K433 L434 N435 D450 L451 V488 I491 M492L404-I406 HydrophobicContact CD2-CD1 4.45Å; L404-I406 HydrophobicContact CD2-CG1 4.13Å; L404-V432 HydrophobicContact CB-CB 4.39Å; L404-V432 HydrophobicContact CB-CG2 4.39Å; L404-V432 HydrophobicContact CD1-CB 4.2Å; L404-V432 HydrophobicContact CD1-CG1 3.85Å; L404-V432 HydrophobicContact CD1-CG2 4.18Å; L404-K433 PolarHBondContact N-O 3.42Å; L404-L434 HydrophobicContact CB-CD2 3.98Å; L404-N435 PolarHBondContact O-N 3.41Å; L404-D450 WeakPolarHBondContact CA-OD2 3.41Å; L404-D450 HydrophobicContact CD2-CB 3.7Å; L404-D450 HydrophobicContact CG-CB 4.06Å; L404-L451 HydrophobicContact CD2-CB 3.9Å; L404-V488 HydrophobicContact CD1-CG1 4.18Å; L404-I491 HydrophobicContact CD1-CB 4.49Å; L404-I491 HydrophobicContact CD1-CG2 4.12Å; L404-I491 HydrophobicContact CD2-CD1 4.05Å; L404-I491 HydrophobicContact CD2-CG2 4.23Å; L404-I491 HydrophobicContact CG-CG2 4.28Å; L404-M492 HydrophobicContact CD1-CG 4.37Å
405S88Confident75.2Confident22 Ų2254 Ų5415%0.15428%0.281CS..EExtended strand (participates in β ladder)trans-82.4116.9174.5-67.30000109.3N435 S448 D450 L451S405-N435 CarbonylContact C-O 3.48Å; S405-N435 VanDerWaalsContact CA-O 3.28Å; S405-N435 WeakPolarHBondContact CA-O 3.31Å; S405-S448 WeakPolarHBondContact CB-O 3.25Å; S405-S448 PolarHBondContact OG-O 3.46Å; S405-S448 VanDerWaalsContact OG-O 3.13Å; S405-D450 PolarHBondContact N-OD2 2.76Å; S405-D450 PolarHBondContact O-N 3.37Å; S405-L451 PolarHBondContact O-N 3.37Å
406I88.6Confident75.5Confident0 Ų053.1 Ų53.10%027%0.269CS..EExtended strand (participates in β ladder)trans-114.4128-173.8-61.2-165.8000110.1L404 I408 F424 L434 N435 F436 V437 L451 I453L404-I406 HydrophobicContact CD2-CD1 4.45Å; L404-I406 HydrophobicContact CD2-CG1 4.13Å; I406-I408 HydrophobicContact CG2-CG1 4.07Å; I406-F424 HydrophobicContact CD1-CD1 4.02Å; I406-F424 HydrophobicContact CD1-CE1 4.36Å; I406-L434 HydrophobicContact CD1-CD1 4.38Å; I406-L434 HydrophobicContact CD1-CD2 3.55Å; I406-L434 HydrophobicContact CD1-CG 4.44Å; I406-L434 HydrophobicContact CG1-CD2 4.28Å; I406-N435 PolarHBondContact N-O 2.9Å; I406-F436 HydrophobicContact CB-CD1 3.92Å; I406-F436 HydrophobicContact CB-CE1 4.08Å; I406-F436 HydrophobicContact CD1-CE1 4.37Å; I406-F436 HydrophobicContact CG2-CD1 3.99Å; I406-F436 HydrophobicContact CG2-CE1 3.98Å; I406-F436 CarbonylContact O-C 3.59Å; I406-F436 WeakPolarHBondContact O-CA 3.38Å; I406-V437 PolarHBondContact O-N 3.48Å; I406-L451 WeakPolarHBondContact CA-O 3.36Å; I406-L451 HydrophobicContact CD1-CD2 4.22Å; I406-L451 HydrophobicContact CG1-CB 4.34Å; I406-I453 HydrophobicContact CD1-CD1 4.42Å; I406-I453 HydrophobicContact CG2-CD1 3.27Å; I406-I453 HydrophobicContact CG2-CG1 4.09Å
407F87Confident75.9Confident16 Ų1651.9 Ų51.97%0.0726%0.264CS..EExtended strand (participates in β ladder)trans-101131.8166.2173.9-111.1000110D409 P439 F442 V449 L451 I452 I453F407-D409 HydrophobicContact CE1-CB 3.8Å; F407-D409 HydrophobicContact CZ-CB 4.22Å; F407-P439 HydrophobicContact CE2-CB 4.2Å; F407-F442 HydrophobicContact CB-CD2 4.14Å; F407-F442 HydrophobicContact CB-CE2 4.13Å; F407-F442 HydrophobicContact CB-CG 4.41Å; F407-F442 HydrophobicContact CB-CZ 4.38Å; F407-F442 AromaticContact CD1-CD1 3.61Å; F407-F442 HydrophobicContact CD1-CD1 3.61Å; F407-F442 HydrophobicContact CD1-CD2 4.48Å; F407-F442 AromaticContact CD1-CE1 3.45Å; F407-F442 HydrophobicContact CD1-CE1 3.45Å; F407-F442 VanDerWaalsContact CD1-CE1 3.45Å; F407-F442 HydrophobicContact CD1-CE2 4.38Å; F407-F442 HydrophobicContact CD1-CG 4.12Å; F407-F442 AromaticContact CD1-CZ 3.87Å; F407-F442 HydrophobicContact CD1-CZ 3.87Å; F407-F442 HydrophobicContact CD2-CB 3.66Å; F407-F442 AromaticContact CD2-CD1 3.74Å; F407-F442 HydrophobicContact CD2-CD1 3.74Å; F407-F442 HydrophobicContact CD2-CD2 4.07Å; F407-F442 HydrophobicContact CD2-CE1 4.38Å; F407-F442 AromaticContact CD2-CG 3.54Å; F407-F442 HydrophobicContact CD2-CG 3.54Å; F407-F442 AromaticContact CE1-CD1 3.49Å; F407-F442 HydrophobicContact CE1-CD1 3.49Å; F407-F442 VanDerWaalsContact CE1-CD1 3.49Å; F407-F442 AromaticContact CE1-CE1 3.54Å; F407-F442 HydrophobicContact CE1-CE1 3.54Å; F407-F442 HydrophobicContact CE1-CG 4.3Å; F407-F442 HydrophobicContact CE1-CZ 4.4Å; F407-F442 HydrophobicContact CE2-CB 3.67Å; F407-F442 AromaticContact CE2-CD1 3.63Å; F407-F442 HydrophobicContact CE2-CD1 3.63Å; F407-F442 HydrophobicContact CE2-CE1 4.45Å; F407-F442 AromaticContact CE2-CG 3.76Å; F407-F442 HydrophobicContact CE2-CG 3.76Å; F407-F442 HydrophobicContact CG-CB 4.37Å; F407-F442 AromaticContact CG-CD1 3.74Å; F407-F442 HydrophobicContact CG-CD1 3.74Å; F407-F442 AromaticContact CG-CD2 3.97Å; F407-F442 HydrophobicContact CG-CD2 3.97Å; F407-F442 AromaticContact CG-CE1 3.91Å; F407-F442 HydrophobicContact CG-CE1 3.91Å; F407-F442 HydrophobicContact CG-CE2 4.15Å; F407-F442 AromaticContact CG-CG 3.75Å; F407-F442 HydrophobicContact CG-CG 3.75Å; F407-F442 HydrophobicContact CG-CZ 4.11Å; F407-F442 HydrophobicContact CZ-CB 4.37Å; F407-F442 AromaticContact CZ-CD1 3.51Å; F407-F442 HydrophobicContact CZ-CD1 3.51Å; F407-F442 HydrophobicContact CZ-CE1 4.07Å; F407-F442 HydrophobicContact CZ-CG 4.14Å; F407-V449 HydrophobicContact CB-CG1 3.83Å; F407-L451 PolarHBondContact N-O 2.69Å; F407-I452 HydrophobicContact CD1-CG1 4.31Å; F407-I452 HydrophobicContact CD1-CG2 4.01Å; F407-I452 WeakPolarHBondContact O-CA 3.37Å; F407-I453 PolarHBondContact O-N 2.81Å
408I86.7Confident76.5Confident14 Ų1451.6 Ų51.67%0.07226%0.264CS..EExtended strand (participates in β ladder)trans-111.8116.8176.6-59.4179.4000108.7I406 D410 L420 K421 F436 I453I406-I408 HydrophobicContact CG2-CG1 4.07Å; I408-D410 HydrophobicContact CG2-CB 4.19Å; I408-L420 HydrophobicContact CD1-CB 4.18Å; I408-L420 HydrophobicContact CG2-CD1 4Å; I408-K421 HydrophobicContact CD1-CG 3.6Å; I408-F436 HydrophobicContact CD1-CD1 3.82Å; I408-F436 HydrophobicContact CD1-CE1 3.82Å; I408-F436 HydrophobicContact CG1-CD1 4.27Å; I408-F436 HydrophobicContact CG1-CE1 4.49Å; I408-I453 CarbonylContact C-O 3.22Å; I408-I453 WeakPolarHBondContact CA-O 3.49Å; I408-I453 HydrophobicContact CD1-CD1 4.48Å; I408-I453 HydrophobicContact CG1-CB 4.38Å; I408-I453 HydrophobicContact CG1-CD1 4.01Å
409D84.6Confident77.5Confident44 Ų4455.4 Ų55.424%0.23528%0.278CS..EExtended strand (participates in β ladder)trans-98.9100.1169.4173.246.7000109.8F407 I453 S454 T455 F459F407-D409 HydrophobicContact CE1-CB 3.8Å; F407-D409 HydrophobicContact CZ-CB 4.22Å; D409-I453 PolarHBondContact N-O 2.96Å; D409-S454 VanDerWaalsContact O-CA 3.26Å; D409-S454 WeakPolarHBondContact O-CA 3.21Å; D409-S454 PolarHBondContact OD2-OG 3.24Å; D409-T455 PolarHBondContact O-N 3.25Å; D409-F459 HydrophobicContact CB-CD2 4.35Å; D409-F459 HydrophobicContact CB-CE2 3.75Å; D409-F459 VanDerWaalsContact OD2-CD2 3.26Å; D409-F459 WeakPolarHBondContact OD2-CD2 3.28Å; D409-F459 WeakPolarHBondContact OD2-CE2 3.47Å
410D83Confident78.5Confident23 Ų2355.1 Ų55.112%0.12328%0.277CS..  trans-112.6108.9-174.6-171.9-0.8000111.9I408 K412 N416 S417 T455I408-D410 HydrophobicContact CG2-CB 4.19Å; D410-K412 PolarHBondContact O-N 3.25Å; D410-K412 WeakPolarHBondContact OD1-CA 3.39Å; D410-K412 WeakPolarHBondContact OD1-CB 3.19Å; D410-K412 PolarHBondContact OD1-N 3.37Å; D410-N416 VanDerWaalsContact CG-ND2 3.25Å; D410-N416 PolarHBondContact OD1-ND2 3.18Å; D410-N416 WeakPolarHBondContact OD2-CB 3.43Å; D410-N416 PolarHBondContact OD2-ND2 2.77Å; D410-S417 WeakPolarHBondContact CB-OG 3.27Å; D410-S417 WeakPolarHBondContact OD2-CA 3.44Å; D410-S417 PolarHBondContact OD2-N 3.13Å; D410-S417 PolarHBondContact OD2-OG 2.92Å; D410-T455 PolarHBondContact OD1-OG1 3.4Å
411S78.7Confident79.9Confident76 Ų7657.8 Ų57.853%0.53129%0.288SS..THydrogen-bonded Turntrans-72.6-10.8175.659.90000113.9T455S411-T455 PolarHBondContact N-OG1 3.26Å; S411-T455 PolarHBondContact OG-OG1 3.45Å
412K77.3Confident81.1Confident121 Ų12158.2 Ų58.253%0.52629%0.288SS..THydrogen-bonded Turntrans-96.7-5.5-179.3-57.2-179.9-1761690113.3D410 N416 E473D410-K412 PolarHBondContact O-N 3.25Å; D410-K412 WeakPolarHBondContact OD1-CA 3.39Å; D410-K412 WeakPolarHBondContact OD1-CB 3.19Å; D410-K412 PolarHBondContact OD1-N 3.37Å; K412-N416 HydrophobicContact CB-CB 4.08Å; K412-E473 PolarHBondContact NZ-O 3.03Å
413G75.6Confident81.8Confident34 Ų3458.4 Ų58.435%0.35129%0.289SS..  trans99.9172171.400000115.9F415 N416 S417G413-F415 PolarHBondContact O-N 2.99Å; G413-N416 PolarHBondContact O-N 2.95Å; G413-S417 PolarHBondContact O-N 2.83Å; G413-S417 PolarHBondContact O-OG 3.27Å
414E73.7Confident82Confident155 Ų15554.5 Ų54.572%0.72427%0.27SS*.Hα-helixtrans-57.1-37.4-165-170.5177.3-172.400115.2N416 S417 I418E414-N416 VanDerWaalsContact C-N 3.34Å; E414-N416 PolarHBondContact O-N 2.99Å; E414-S417 WeakPolarHBondContact O-CB 3.35Å; E414-S417 PolarHBondContact O-N 3.33Å; E414-S417 VanDerWaalsContact O-N 3.15Å; E414-I418 WeakPolarHBondContact O-CG1 3.25Å; E414-I418 PolarHBondContact O-N 2.87Å
415F74.5Confident81.7Confident183 Ų18359.8 Ų59.880%0.80330%0.297SS*.Hα-helixtrans-65-37.6177.8-73.6-73.8000112.8G413 S417 I418 W419G413-F415 PolarHBondContact O-N 2.99Å; F415-S417 VanDerWaalsContact C-N 3.28Å; F415-I418 PolarHBondContact O-N 3.26Å; F415-W419 PolarHBondContact O-N 3.12Å; F415-W419 VanDerWaalsContact O-N 3.15Å
416N78.9Confident81Confident35 Ų3566.7 Ų66.719%0.18732%0.324CS..Hα-helixtrans-69.7-31.8175.4-17766.8000110.5D410 K412 G413 E414 W419 L420D410-N416 VanDerWaalsContact CG-ND2 3.25Å; D410-N416 PolarHBondContact OD1-ND2 3.18Å; D410-N416 WeakPolarHBondContact OD2-CB 3.43Å; D410-N416 PolarHBondContact OD2-ND2 2.77Å; K412-N416 HydrophobicContact CB-CB 4.08Å; G413-N416 PolarHBondContact O-N 2.95Å; E414-N416 VanDerWaalsContact C-N 3.34Å; E414-N416 PolarHBondContact O-N 2.99Å; N416-W419 WeakPolarHBondContact O-CB 3.32Å; N416-W419 PolarHBondContact O-N 3Å; N416-L420 WeakPolarHBondContact O-CG 3.33Å; N416-L420 PolarHBondContact O-N 3.04Å
417S80.6Confident80.3Confident22 Ų2266.8 Ų66.815%0.15433%0.325CS..Hα-helixtrans-66.8-40.8174.9-51.80000111.9D410 G413 E414 F415 W419 L420 K421D410-S417 WeakPolarHBondContact CB-OG 3.27Å; D410-S417 WeakPolarHBondContact OD2-CA 3.44Å; D410-S417 PolarHBondContact OD2-N 3.13Å; D410-S417 PolarHBondContact OD2-OG 2.92Å; G413-S417 PolarHBondContact O-N 2.83Å; G413-S417 PolarHBondContact O-OG 3.27Å; E414-S417 WeakPolarHBondContact O-CB 3.35Å; E414-S417 PolarHBondContact O-N 3.33Å; E414-S417 VanDerWaalsContact O-N 3.15Å; F415-S417 VanDerWaalsContact C-N 3.28Å; S417-W419 VanDerWaalsContact C-N 3.28Å; S417-W419 PolarHBondContact O-N 3.35Å; S417-L420 PolarHBondContact O-N 3.13Å; S417-K421 VanDerWaalsContact O-CG 3.3Å; S417-K421 WeakPolarHBondContact O-CG 3.08Å; S417-K421 PolarHBondContact O-N 3.2Å
418I81.2Confident79.6Confident79 Ų7966.3 Ų66.341%0.40532%0.323SS..Hα-helixtrans-60.3-42.4173-66.7167.7000110.4E414 F415 K421 K422E414-I418 WeakPolarHBondContact O-CG1 3.25Å; E414-I418 PolarHBondContact O-N 2.87Å; F415-I418 PolarHBondContact O-N 3.26Å; I418-K421 PolarHBondContact O-N 3.43Å; I418-K422 PolarHBondContact O-N 3.31Å; I418-K422 VanDerWaalsContact O-N 3.16Å
419W82.6Confident78.8Confident89 Ų8969.5 Ų69.534%0.33734%0.34SS..Hα-helixtrans-63.5-45.7175.9178.782.6000111.8F415 N416 S417 K421 K422 F423 K477F415-W419 PolarHBondContact O-N 3.12Å; F415-W419 VanDerWaalsContact O-N 3.15Å; N416-W419 WeakPolarHBondContact O-CB 3.32Å; N416-W419 PolarHBondContact O-N 3Å; S417-W419 VanDerWaalsContact C-N 3.28Å; S417-W419 PolarHBondContact O-N 3.35Å; W419-K421 PolarHBondContact O-N 3.07Å; W419-K422 PolarHBondContact O-N 2.93Å; W419-F423 HydrophobicContact CH2-CB 4.31Å; W419-F423 HydrophobicContact CH2-CD2 4Å; W419-F423 HydrophobicContact CH2-CG 4.1Å; W419-F423 HydrophobicContact CZ2-CB 4.32Å; W419-F423 AromaticContact CZ2-CD2 3.99Å; W419-F423 HydrophobicContact CZ2-CD2 3.99Å; W419-F423 HydrophobicContact CZ2-CG 4.33Å; W419-F423 HydrophobicContact CZ3-CB 4.48Å; W419-F423 WeakPolarHBondContact O-CB 3.45Å; W419-F423 PolarHBondContact O-N 3.08Å; W419-K477 HydrophobicContact CZ2-CD 4.37Å
420L84.2Confident77.9Confident0 Ų068 Ų680%034%0.335CS..Hα-helixtrans-59.8-42.7176.5-78.7169.7000112I408 N416 S417 K422 F423 F424 T455 L472I408-L420 HydrophobicContact CD1-CB 4.18Å; I408-L420 HydrophobicContact CG2-CD1 4Å; N416-L420 WeakPolarHBondContact O-CG 3.33Å; N416-L420 PolarHBondContact O-N 3.04Å; S417-L420 PolarHBondContact O-N 3.13Å; L420-K422 PolarHBondContact O-N 3.34Å; L420-F423 WeakPolarHBondContact O-CB 3.4Å; L420-F423 PolarHBondContact O-N 3.15Å; L420-F424 WeakPolarHBondContact O-CB 3.2Å; L420-F424 WeakPolarHBondContact O-CD2 3.42Å; L420-F424 PolarHBondContact O-N 2.89Å; L420-T455 HydrophobicContact CD1-CG2 3.71Å; L420-L472 HydrophobicContact CD2-CD1 4.13Å
421K87.1Confident77.2Confident68 Ų6867.8 Ų67.830%0.29633%0.334SS..Hα-helixtrans-57.4-48.6174.9-70.4179.4-176.4-1750111.4I408 S417 I418 W419 F423 F424 M425 F436I408-K421 HydrophobicContact CD1-CG 3.6Å; S417-K421 VanDerWaalsContact O-CG 3.3Å; S417-K421 WeakPolarHBondContact O-CG 3.08Å; S417-K421 PolarHBondContact O-N 3.2Å; I418-K421 PolarHBondContact O-N 3.43Å; W419-K421 PolarHBondContact O-N 3.07Å; K421-F423 PolarHBondContact O-N 2.98Å; K421-F424 PolarHBondContact O-N 3.42Å; K421-M425 VanDerWaalsContact O-CG 3.3Å; K421-M425 WeakPolarHBondContact O-CG 3.45Å; K421-M425 PolarHBondContact O-N 3.45Å; K421-F436 HydrophobicContact CB-CD2 4.19Å; K421-F436 HydrophobicContact CB-CE1 4.23Å; K421-F436 HydrophobicContact CB-CE2 3.85Å; K421-F436 HydrophobicContact CB-CZ 3.87Å; K421-F436 HydrophobicContact CD-CB 4.08Å; K421-F436 HydrophobicContact CD-CD1 4.26Å; K421-F436 HydrophobicContact CD-CD2 3.99Å; K421-F436 HydrophobicContact CD-CG 3.83Å; K421-F436 HydrophobicContact CG-CB 4.47Å; K421-F436 HydrophobicContact CG-CD1 3.72Å; K421-F436 HydrophobicContact CG-CD2 3.89Å; K421-F436 HydrophobicContact CG-CE1 3.81Å; K421-F436 HydrophobicContact CG-CE2 3.98Å; K421-F436 HydrophobicContact CG-CG 3.74Å; K421-F436 HydrophobicContact CG-CZ 3.94Å
422K81.3Confident77Confident138 Ų13864.5 Ų64.560%0.631%0.31SS*.Hα-helixtrans-63.8-40.2176.9-73.8-176.8176.9-177.60112.3I418 W419 L420 K426I418-K422 PolarHBondContact O-N 3.31Å; I418-K422 VanDerWaalsContact O-N 3.16Å; W419-K422 PolarHBondContact O-N 2.93Å; L420-K422 PolarHBondContact O-N 3.34Å; K422-K426 WeakPolarHBondContact O-CB 3.38Å; K422-K426 WeakPolarHBondContact O-CG 3.03Å; K422-K426 PolarHBondContact O-N 3.39Å; K422-K426 VanDerWaalsContact O-N 3.08Å
423F82.4Confident77Confident24 Ų2462.5 Ų62.511%0.10530%0.302CS..Hα-helixtrans-61.7-46.2176.4176.5-97.7000110.8W419 L420 K421 K426 S427 K477 D480 L481 V484W419-F423 HydrophobicContact CH2-CB 4.31Å; W419-F423 HydrophobicContact CH2-CD2 4Å; W419-F423 HydrophobicContact CH2-CG 4.1Å; W419-F423 HydrophobicContact CZ2-CB 4.32Å; W419-F423 AromaticContact CZ2-CD2 3.99Å; W419-F423 HydrophobicContact CZ2-CD2 3.99Å; W419-F423 HydrophobicContact CZ2-CG 4.33Å; W419-F423 HydrophobicContact CZ3-CB 4.48Å; W419-F423 WeakPolarHBondContact O-CB 3.45Å; W419-F423 PolarHBondContact O-N 3.08Å; L420-F423 WeakPolarHBondContact O-CB 3.4Å; L420-F423 PolarHBondContact O-N 3.15Å; K421-F423 PolarHBondContact O-N 2.98Å; F423-K426 PolarHBondContact O-N 3.07Å; F423-S427 WeakPolarHBondContact O-CB 3.43Å; F423-S427 PolarHBondContact O-N 3.13Å; F423-S427 PolarHBondContact O-OG 2.87Å; F423-K477 HydrophobicContact CE2-CB 4.39Å; F423-K477 WeakPolarHBondContact CZ-O 3.18Å; F423-D480 HydrophobicContact CE1-CB 4.43Å; F423-D480 HydrophobicContact CZ-CB 4.29Å; F423-L481 HydrophobicContact CE2-CD1 4.05Å; F423-L481 HydrophobicContact CZ-CB 3.86Å; F423-L481 HydrophobicContact CZ-CD1 4.11Å; F423-L481 HydrophobicContact CZ-CG 4.24Å; F423-V484 HydrophobicContact CE1-CG2 4.32Å
424F81.8Confident77.3Confident0 Ų062.1 Ų62.10%029%0.291CS..Hα-helixtrans-62-51.4177.6-100-100.3000112.5I406 L420 K421 K426 S427 T428 L434 F436 L451 I453 L470 L472 V484I406-F424 HydrophobicContact CD1-CD1 4.02Å; I406-F424 HydrophobicContact CD1-CE1 4.36Å; L420-F424 WeakPolarHBondContact O-CB 3.2Å; L420-F424 WeakPolarHBondContact O-CD2 3.42Å; L420-F424 PolarHBondContact O-N 2.89Å; K421-F424 PolarHBondContact O-N 3.42Å; F424-K426 PolarHBondContact O-N 2.99Å; F424-S427 VanDerWaalsContact CA-OG 3.23Å; F424-S427 WeakPolarHBondContact CA-OG 3.15Å; F424-S427 PolarHBondContact O-N 3.48Å; F424-S427 PolarHBondContact O-OG 2.94Å; F424-T428 PolarHBondContact O-N 2.87Å; F424-T428 PolarHBondContact O-OG1 3.28Å; F424-L434 HydrophobicContact CB-CD1 3.96Å; F424-F436 HydrophobicContact CB-CE1 4.46Å; F424-F436 HydrophobicContact CB-CZ 4.12Å; F424-L451 HydrophobicContact CE1-CD2 4.19Å; F424-I453 HydrophobicContact CD1-CD1 3.88Å; F424-I453 HydrophobicContact CD2-CD1 3.86Å; F424-I453 HydrophobicContact CE1-CD1 3.34Å; F424-I453 HydrophobicContact CE1-CG1 4Å; F424-I453 HydrophobicContact CE2-CD1 3.34Å; F424-I453 HydrophobicContact CE2-CG1 4.03Å; F424-I453 HydrophobicContact CE2-CG2 4.13Å; F424-I453 HydrophobicContact CG-CD1 4.08Å; F424-I453 HydrophobicContact CZ-CB 4.48Å; F424-I453 HydrophobicContact CZ-CD1 3.02Å; F424-I453 HydrophobicContact CZ-CG1 3.46Å; F424-I453 VanDerWaalsContact CZ-CG1 3.46Å; F424-I453 HydrophobicContact CZ-CG2 4.23Å; F424-L470 HydrophobicContact CZ-CD2 4.01Å; F424-L472 HydrophobicContact CE2-CD1 3.5Å; F424-L472 HydrophobicContact CZ-CD1 3.99Å; F424-V484 HydrophobicContact CD1-CG1 3.49Å; F424-V484 VanDerWaalsContact CD1-CG1 3.49Å; F424-V484 HydrophobicContact CD1-CG2 4.33Å; F424-V484 HydrophobicContact CD2-CG2 4.3Å; F424-V484 HydrophobicContact CE1-CB 3.99Å; F424-V484 HydrophobicContact CE1-CG1 3.21Å; F424-V484 HydrophobicContact CE1-CG2 3.59Å; F424-V484 HydrophobicContact CE2-CG1 4.46Å; F424-V484 HydrophobicContact CE2-CG2 3.55Å; F424-V484 HydrophobicContact CG-CG1 4.25Å; F424-V484 HydrophobicContact CZ-CB 4.05Å; F424-V484 HydrophobicContact CZ-CG1 3.77Å; F424-V484 HydrophobicContact CZ-CG2 3.14Å
425M78.8Confident77.8Confident113 Ų11357.1 Ų57.156%0.55727%0.27SS*.Hα-helixtrans-54.5-41.6177.9-72.1175.269.400111.6K421 T428 L434 F436K421-M425 VanDerWaalsContact O-CG 3.3Å; K421-M425 WeakPolarHBondContact O-CG 3.45Å; K421-M425 PolarHBondContact O-N 3.45Å; M425-T428 PolarHBondContact O-OG1 2.92Å; M425-L434 HydrophobicContact CG-CD1 4.07Å; M425-F436 HydrophobicContact CG-CE2 3.91Å; M425-F436 HydrophobicContact CG-CZ 4.24Å; M425-F436 HydrophobicContact SD-CE2 4.1Å
426K72.4Confident78.4Confident166 Ų16650.7 Ų50.772%0.72224%0.241SC*.Hα-helixtrans-69-43.4173.9-77.1-170.9172.2-163.80112.9K422 F423 F424 T428 N429K422-K426 WeakPolarHBondContact O-CB 3.38Å; K422-K426 WeakPolarHBondContact O-CG 3.03Å; K422-K426 PolarHBondContact O-N 3.39Å; K422-K426 VanDerWaalsContact O-N 3.08Å; F423-K426 PolarHBondContact O-N 3.07Å; F424-K426 PolarHBondContact O-N 2.99Å; K426-T428 PolarHBondContact O-N 2.93Å; K426-N429 PolarHBondContact O-N 3.46Å; K426-N429 PolarHBondContact O-OD1 2.97Å; K426-N429 VanDerWaalsContact O-OD1 3.14Å
427S73.6Confident78.7Confident3 Ų350.2 Ų50.22%0.02124%0.24CC..Hα-helixtrans-65.7-27.7-175.962.30000113.7F423 F424 V484 Q485F423-S427 WeakPolarHBondContact O-CB 3.43Å; F423-S427 PolarHBondContact O-N 3.13Å; F423-S427 PolarHBondContact O-OG 2.87Å; F424-S427 VanDerWaalsContact CA-OG 3.23Å; F424-S427 WeakPolarHBondContact CA-OG 3.15Å; F424-S427 PolarHBondContact O-N 3.48Å; F424-S427 PolarHBondContact O-OG 2.94Å; S427-V484 VanDerWaalsContact OG-CG1 3.32Å; S427-V484 WeakPolarHBondContact OG-CG1 3.28Å; S427-Q485 WeakPolarHBondContact O-CG 3.31Å; S427-Q485 PolarHBondContact O-NE2 3.4Å
428T73.4Confident78.5Confident5 Ų552.3 Ų52.33%0.03125%0.25CC..THydrogen-bonded Turntrans-87-11.3178.755.90000112.7F424 M425 K426 G430 L431 V432 L434 V484 V488F424-T428 PolarHBondContact O-N 2.87Å; F424-T428 PolarHBondContact O-OG1 3.28Å; M425-T428 PolarHBondContact O-OG1 2.92Å; K426-T428 PolarHBondContact O-N 2.93Å; T428-G430 PolarHBondContact O-N 3.47Å; T428-L431 VanDerWaalsContact O-CB 3.25Å; T428-L431 WeakPolarHBondContact O-CB 3.36Å; T428-L431 WeakPolarHBondContact O-CD1 3.35Å; T428-L431 PolarHBondContact O-N 3.01Å; T428-V432 HydrophobicContact CG2-CG2 4.17Å; T428-L434 HydrophobicContact CG2-CD1 4.33Å; T428-V484 HydrophobicContact CG2-CG1 4.38Å; T428-V488 HydrophobicContact CG2-CG1 4.45Å; T428-V488 HydrophobicContact CG2-CG2 3.95Å
429N68.4Low78.1Confident81 Ų8152.3 Ų52.343%0.43325%0.254SS..THydrogen-bonded Turntrans45.744.4173.1-117.958.5000113.6E397 K426 L431E397-N429 WeakPolarHBondContact CB-O 3.16Å; E397-N429 HydrophobicContact CG-CB 4.36Å; E397-N429 WeakPolarHBondContact CG-O 3.35Å; E397-N429 VanDerWaalsContact OE1-CG 3.23Å; E397-N429 PolarHBondContact OE1-ND2 3.33Å; E397-N429 PolarHBondContact OE1-OD1 2.89Å; K426-N429 PolarHBondContact O-N 3.46Å; K426-N429 PolarHBondContact O-OD1 2.97Å; K426-N429 VanDerWaalsContact O-OD1 3.14Å; N429-L431 VanDerWaalsContact C-N 3.31Å; N429-L431 PolarHBondContact O-N 3.04Å
430G65.6Low77.4Confident12 Ų1255.1 Ų55.112%0.12428%0.276CS..THydrogen-bonded Turntrans79-9.7-179.300000117.4E397 M399 T428 V432E397-G430 WeakPolarHBondContact O-CA 3.42Å; M399-G430 CarbonylContact C-O 3.57Å; M399-G430 CarbonylContact O-C 3.51Å; T428-G430 PolarHBondContact O-N 3.47Å; G430-V432 PolarHBondContact O-N 3.41Å
431L68.2Low76.2Confident19 Ų1964.6 Ų64.610%0.09931%0.312CS..SBendtrans-47-35.5-177.2-103.6123.5000114.5D356 M399 T400 T428 N429 M492D356-L431 HydrophobicContact CB-CD2 4.16Å; D356-L431 VanDerWaalsContact OD1-CD2 3.31Å; D356-L431 WeakPolarHBondContact OD1-CD2 3.44Å; M399-L431 CarbonylContact C-O 3.48Å; M399-L431 CarbonylContact O-C 3.59Å; M399-L431 VanDerWaalsContact O-CA 3.24Å; M399-L431 WeakPolarHBondContact O-CA 3.11Å; T400-L431 PolarHBondContact N-O 3.34Å; T400-L431 PolarHBondContact OG1-O 2.73Å; T428-L431 VanDerWaalsContact O-CB 3.25Å; T428-L431 WeakPolarHBondContact O-CB 3.36Å; T428-L431 WeakPolarHBondContact O-CD1 3.35Å; T428-L431 PolarHBondContact O-N 3.01Å; N429-L431 VanDerWaalsContact C-N 3.31Å; N429-L431 PolarHBondContact O-N 3.04Å; L431-M492 HydrophobicContact CD2-CE 4.34Å; L431-M492 HydrophobicContact CD2-SD 4.02Å
432V76.4Confident75.1Confident7 Ų762.5 Ų62.54%0.04230%0.303CS..SBendtrans-141.5146.6-178.1-67.70000110.1L404 T428 G430 L434 V488 M492L404-V432 HydrophobicContact CB-CB 4.39Å; L404-V432 HydrophobicContact CB-CG2 4.39Å; L404-V432 HydrophobicContact CD1-CB 4.2Å; L404-V432 HydrophobicContact CD1-CG1 3.85Å; L404-V432 HydrophobicContact CD1-CG2 4.18Å; T428-V432 HydrophobicContact CG2-CG2 4.17Å; G430-V432 PolarHBondContact O-N 3.41Å; V432-L434 HydrophobicContact CB-CD2 4.45Å; V432-L434 HydrophobicContact CG2-CD2 3.46Å; V432-L434 VanDerWaalsContact CG2-CD2 3.46Å; V432-L434 HydrophobicContact CG2-CG 4.23Å; V432-L434 PolarHBondContact O-N 2.84Å; V432-V488 HydrophobicContact CG1-CG1 3.94Å; V432-V488 HydrophobicContact CG2-CG1 3.77Å; V432-M492 HydrophobicContact CG1-CE 3.6Å; V432-M492 HydrophobicContact CG1-CG 3.77Å; V432-M492 HydrophobicContact CG1-SD 3.33Å; V432-M492 WeakPolarHBondContact CG1-SD 3.38Å
433K75.8Confident74.2Confident79 Ų7962.1 Ų62.134%0.34331%0.307SS..EExtended strand (participates in β ladder)trans-78.7118.8168.1178.1172.1169.2-164.50109.1Y402 E403 L404Y402-K433 PolarHBondContact O-N 2.84Å; E403-K433 CarbonylContact C-O 3.18Å; E403-K433 WeakPolarHBondContact CA-O 3.28Å; E403-K433 HydrophobicContact CG-CB 4.22Å; E403-K433 HydrophobicContact CG-CD 4.04Å; E403-K433 HydrophobicContact CG-CG 4.35Å; E403-K433 WeakPolarHBondContact OE1-CD 3.47Å; E403-K433 VanDerWaalsContact OE1-CE 3.3Å; E403-K433 WeakPolarHBondContact OE1-CE 3.43Å; E403-K433 IonicContact OE1-NZ 3.25Å; E403-K433 PolarHBondContact OE1-NZ 3.49Å; L404-K433 PolarHBondContact N-O 3.42Å
434L81.5Confident73Confident26 Ų2662.7 Ų62.714%0.13631%0.311CS..EExtended strand (participates in β ladder)trans-92.9117.3-177.6-60.8-175.5000111.2L404 I406 F424 M425 T428 V432 F436L404-L434 HydrophobicContact CB-CD2 3.98Å; I406-L434 HydrophobicContact CD1-CD1 4.38Å; I406-L434 HydrophobicContact CD1-CD2 3.55Å; I406-L434 HydrophobicContact CD1-CG 4.44Å; I406-L434 HydrophobicContact CG1-CD2 4.28Å; F424-L434 HydrophobicContact CB-CD1 3.96Å; M425-L434 HydrophobicContact CG-CD1 4.07Å; T428-L434 HydrophobicContact CG2-CD1 4.33Å; V432-L434 HydrophobicContact CB-CD2 4.45Å; V432-L434 HydrophobicContact CG2-CD2 3.46Å; V432-L434 VanDerWaalsContact CG2-CD2 3.46Å; V432-L434 HydrophobicContact CG2-CG 4.23Å; V432-L434 PolarHBondContact O-N 2.84Å; L434-F436 HydrophobicContact CB-CE2 3.97Å; L434-F436 HydrophobicContact CB-CZ 4.05Å; L434-F436 HydrophobicContact CD1-CZ 3.95Å
435N85.6Confident71.7Confident51 Ų5166.2 Ų66.227%0.27334%0.34SS..EExtended strand (participates in β ladder)trans-103.9106.4172.6-68.8-30.1000109E403 L404 S405 I406 V437E403-N435 PolarHBondContact OE2-ND2 3.46Å; L404-N435 PolarHBondContact O-N 3.41Å; S405-N435 CarbonylContact C-O 3.48Å; S405-N435 VanDerWaalsContact CA-O 3.28Å; S405-N435 WeakPolarHBondContact CA-O 3.31Å; I406-N435 PolarHBondContact N-O 2.9Å; N435-V437 PolarHBondContact O-N 3.34Å
436F86.7Confident71.2Confident47 Ų4763.3 Ų63.321%0.20633%0.327CS..EExtended strand (participates in β ladder)trans-83.6118.1178.6-63.3-76.4000111.3I406 I408 K421 F424 M425 L434I406-F436 HydrophobicContact CB-CD1 3.92Å; I406-F436 HydrophobicContact CB-CE1 4.08Å; I406-F436 HydrophobicContact CD1-CE1 4.37Å; I406-F436 HydrophobicContact CG2-CD1 3.99Å; I406-F436 HydrophobicContact CG2-CE1 3.98Å; I406-F436 CarbonylContact O-C 3.59Å; I406-F436 WeakPolarHBondContact O-CA 3.38Å; I408-F436 HydrophobicContact CD1-CD1 3.82Å; I408-F436 HydrophobicContact CD1-CE1 3.82Å; I408-F436 HydrophobicContact CG1-CD1 4.27Å; I408-F436 HydrophobicContact CG1-CE1 4.49Å; K421-F436 HydrophobicContact CB-CD2 4.19Å; K421-F436 HydrophobicContact CB-CE1 4.23Å; K421-F436 HydrophobicContact CB-CE2 3.85Å; K421-F436 HydrophobicContact CB-CZ 3.87Å; K421-F436 HydrophobicContact CD-CB 4.08Å; K421-F436 HydrophobicContact CD-CD1 4.26Å; K421-F436 HydrophobicContact CD-CD2 3.99Å; K421-F436 HydrophobicContact CD-CG 3.83Å; K421-F436 HydrophobicContact CG-CB 4.47Å; K421-F436 HydrophobicContact CG-CD1 3.72Å; K421-F436 HydrophobicContact CG-CD2 3.89Å; K421-F436 HydrophobicContact CG-CE1 3.81Å; K421-F436 HydrophobicContact CG-CE2 3.98Å; K421-F436 HydrophobicContact CG-CG 3.74Å; K421-F436 HydrophobicContact CG-CZ 3.94Å; F424-F436 HydrophobicContact CB-CE1 4.46Å; F424-F436 HydrophobicContact CB-CZ 4.12Å; M425-F436 HydrophobicContact CG-CE2 3.91Å; M425-F436 HydrophobicContact CG-CZ 4.24Å; M425-F436 HydrophobicContact SD-CE2 4.1Å; L434-F436 HydrophobicContact CB-CE2 3.97Å; L434-F436 HydrophobicContact CB-CZ 4.05Å; L434-F436 HydrophobicContact CD1-CZ 3.95Å
437V85.1Confident71.1Confident26 Ų2662.8 Ų62.816%0.15833%0.327CS..PPolyproline II helixtrans-71.2136.9-179.6-178.40000109.4I406 N435 P439 F442 V449I406-V437 PolarHBondContact O-N 3.48Å; N435-V437 PolarHBondContact O-N 3.34Å; V437-P439 WeakPolarHBondContact O-CD 3.44Å; V437-F442 HydrophobicContact CG1-CB 4.25Å; V437-F442 HydrophobicContact CG1-CD2 4.33Å; V437-V449 HydrophobicContact CB-CG2 4.48Å; V437-V449 HydrophobicContact CG1-CG2 4.4Å; V437-V449 HydrophobicContact CG2-CG2 3.69Å
438D77.1Confident71.3Confident66 Ų6665.5 Ų65.535%0.35335%0.346SS..PPolyproline II helixtrans-65.2124.2176.4-178.9-12.4000109.9N440 R441 F442D438-N440 PolarHBondContact O-N 3.42Å; D438-N440 VanDerWaalsContact O-N 3.13Å; D438-N440 WeakPolarHBondContact OD1-CB 3.38Å; D438-N440 PolarHBondContact OD1-N 2.93Å; D438-N440 PolarHBondContact OD1-ND2 2.97Å; D438-R441 HydrophobicContact CB-CB 4.2Å; D438-R441 HydrophobicContact CB-CG 4.14Å; D438-R441 PolarHBondContact O-N 3.21Å; D438-F442 PolarHBondContact O-N 3.17Å
439P71.4Confident71.9Confident78 Ų7865.5 Ų65.551%0.50635%0.346SS..THydrogen-bonded Turntrans-58.9-26.1179.8-3.24.3000114.1F407 V437 R441F407-P439 HydrophobicContact CE2-CB 4.2Å; V437-P439 WeakPolarHBondContact O-CD 3.44Å; P439-R441 VanDerWaalsContact C-N 3.27Å; P439-R441 PolarHBondContact O-N 3.34Å
440N68.1Low72.8Confident149 Ų14963 Ų6380%0.79733%0.332SS*.THydrogen-bonded Turntrans-78.2-12.1177.8-59.3-57.8000113.3D438D438-N440 PolarHBondContact O-N 3.42Å; D438-N440 VanDerWaalsContact O-N 3.13Å; D438-N440 WeakPolarHBondContact OD1-CB 3.38Å; D438-N440 PolarHBondContact OD1-N 2.93Å; D438-N440 PolarHBondContact OD1-ND2 2.97Å
441R60.6Low73.9Confident198 Ų19862.4 Ų62.475%0.74733%0.326SS*.THydrogen-bonded Turntrans-109-11.2-178.6-66.8-173.5174.7-172.8-1.3113.5D438 P439 L443D438-R441 HydrophobicContact CB-CB 4.2Å; D438-R441 HydrophobicContact CB-CG 4.14Å; D438-R441 PolarHBondContact O-N 3.21Å; P439-R441 VanDerWaalsContact C-N 3.27Å; P439-R441 PolarHBondContact O-N 3.34Å; R441-L443 PolarHBondContact O-N 3.21Å
442F63.5Low74.8Confident25 Ų2561.6 Ų61.611%0.1132%0.322CS..  trans-73.3119-175.6-178.3-111.9000111.9F407 V437 D438 L444 V449 I452F407-F442 HydrophobicContact CB-CD2 4.14Å; F407-F442 HydrophobicContact CB-CE2 4.13Å; F407-F442 HydrophobicContact CB-CG 4.41Å; F407-F442 HydrophobicContact CB-CZ 4.38Å; F407-F442 AromaticContact CD1-CD1 3.61Å; F407-F442 HydrophobicContact CD1-CD1 3.61Å; F407-F442 HydrophobicContact CD1-CD2 4.48Å; F407-F442 AromaticContact CD1-CE1 3.45Å; F407-F442 HydrophobicContact CD1-CE1 3.45Å; F407-F442 VanDerWaalsContact CD1-CE1 3.45Å; F407-F442 HydrophobicContact CD1-CE2 4.38Å; F407-F442 HydrophobicContact CD1-CG 4.12Å; F407-F442 AromaticContact CD1-CZ 3.87Å; F407-F442 HydrophobicContact CD1-CZ 3.87Å; F407-F442 HydrophobicContact CD2-CB 3.66Å; F407-F442 AromaticContact CD2-CD1 3.74Å; F407-F442 HydrophobicContact CD2-CD1 3.74Å; F407-F442 HydrophobicContact CD2-CD2 4.07Å; F407-F442 HydrophobicContact CD2-CE1 4.38Å; F407-F442 AromaticContact CD2-CG 3.54Å; F407-F442 HydrophobicContact CD2-CG 3.54Å; F407-F442 AromaticContact CE1-CD1 3.49Å; F407-F442 HydrophobicContact CE1-CD1 3.49Å; F407-F442 VanDerWaalsContact CE1-CD1 3.49Å; F407-F442 AromaticContact CE1-CE1 3.54Å; F407-F442 HydrophobicContact CE1-CE1 3.54Å; F407-F442 HydrophobicContact CE1-CG 4.3Å; F407-F442 HydrophobicContact CE1-CZ 4.4Å; F407-F442 HydrophobicContact CE2-CB 3.67Å; F407-F442 AromaticContact CE2-CD1 3.63Å; F407-F442 HydrophobicContact CE2-CD1 3.63Å; F407-F442 HydrophobicContact CE2-CE1 4.45Å; F407-F442 AromaticContact CE2-CG 3.76Å; F407-F442 HydrophobicContact CE2-CG 3.76Å; F407-F442 HydrophobicContact CG-CB 4.37Å; F407-F442 AromaticContact CG-CD1 3.74Å; F407-F442 HydrophobicContact CG-CD1 3.74Å; F407-F442 AromaticContact CG-CD2 3.97Å; F407-F442 HydrophobicContact CG-CD2 3.97Å; F407-F442 AromaticContact CG-CE1 3.91Å; F407-F442 HydrophobicContact CG-CE1 3.91Å; F407-F442 HydrophobicContact CG-CE2 4.15Å; F407-F442 AromaticContact CG-CG 3.75Å; F407-F442 HydrophobicContact CG-CG 3.75Å; F407-F442 HydrophobicContact CG-CZ 4.11Å; F407-F442 HydrophobicContact CZ-CB 4.37Å; F407-F442 AromaticContact CZ-CD1 3.51Å; F407-F442 HydrophobicContact CZ-CD1 3.51Å; F407-F442 HydrophobicContact CZ-CE1 4.07Å; F407-F442 HydrophobicContact CZ-CG 4.14Å; V437-F442 HydrophobicContact CG1-CB 4.25Å; V437-F442 HydrophobicContact CG1-CD2 4.33Å; D438-F442 PolarHBondContact O-N 3.17Å; F442-L444 HydrophobicContact CD1-CD1 4.5Å; F442-L444 HydrophobicContact CE1-CD1 3.74Å; F442-L444 HydrophobicContact CE1-CG 3.79Å; F442-L444 HydrophobicContact CZ-CD1 4.4Å; F442-L444 HydrophobicContact CZ-CG 3.95Å; F442-V449 HydrophobicContact CD2-CG2 3.69Å; F442-V449 HydrophobicContact CE2-CB 3.95Å; F442-V449 HydrophobicContact CE2-CG1 4.14Å; F442-V449 HydrophobicContact CE2-CG2 3.47Å; F442-V449 VanDerWaalsContact CE2-CG2 3.47Å; F442-I452 HydrophobicContact CZ-CD1 4.14Å; F442-I452 HydrophobicContact CZ-CG1 4.45Å
443L61.7Low75.3Confident129 Ų12961.2 Ų61.268%0.67532%0.32SS*.  trans-110.8135.8163.2-68.4166.6000106.8R441 A445 D446R441-L443 PolarHBondContact O-N 3.21Å; L443-A445 PolarHBondContact O-N 3.27Å; L443-D446 WeakPolarHBondContact O-CB 3.26Å; L443-D446 PolarHBondContact O-N 3.07Å
444L57.3Low75.8Confident37 Ų3757.5 Ų57.519%0.19430%0.303CS..THydrogen-bonded Turntrans-61.5-18.2-178.1-9293.8000115.1F442 D446 F459 I461F442-L444 HydrophobicContact CD1-CD1 4.5Å; F442-L444 HydrophobicContact CE1-CD1 3.74Å; F442-L444 HydrophobicContact CE1-CG 3.79Å; F442-L444 HydrophobicContact CZ-CD1 4.4Å; F442-L444 HydrophobicContact CZ-CG 3.95Å; L444-D446 PolarHBondContact O-N 3.44Å; L444-F459 HydrophobicContact CD2-CE1 4.29Å; L444-I461 HydrophobicContact CD1-CB 3.79Å; L444-I461 HydrophobicContact CD1-CD1 3.45Å; L444-I461 VanDerWaalsContact CD1-CD1 3.45Å; L444-I461 HydrophobicContact CD1-CG1 4.16Å; L444-I461 HydrophobicContact CD1-CG2 3.33Å; L444-I461 HydrophobicContact CD2-CB 3.93Å; L444-I461 HydrophobicContact CD2-CG2 3.66Å; L444-I461 HydrophobicContact CG-CB 4.49Å; L444-I461 HydrophobicContact CG-CG2 4.03Å
445A55.1Low76Confident74 Ų7457.1 Ų57.161%0.61230%0.303SS*.THydrogen-bonded Turntrans-78.5-2.8172.500000113L443 E447L443-A445 PolarHBondContact O-N 3.27Å; A445-E447 PolarHBondContact O-N 3.42Å
446D68Low75.8Confident52 Ų5257.3 Ų57.328%0.27830%0.303SS..  trans-71.695.3178.5-172-7.5000109.4L443 L444 S448 V449 K467L443-D446 WeakPolarHBondContact O-CB 3.26Å; L443-D446 PolarHBondContact O-N 3.07Å; L444-D446 PolarHBondContact O-N 3.44Å; D446-S448 PolarHBondContact O-N 3.47Å; D446-S448 WeakPolarHBondContact OD1-CB 3.39Å; D446-S448 PolarHBondContact OD1-N 2.96Å; D446-S448 PolarHBondContact OD1-OG 3.11Å; D446-S448 PolarHBondContact OD2-OG 3.15Å; D446-V449 PolarHBondContact O-N 3.06Å; D446-K467 PolarHBondContact O-NZ 3.5Å
447E70.7Confident75.2Confident155 Ų15561.3 Ų61.372%0.72432%0.321SS*.THydrogen-bonded Turntrans-57.6-15.1177.8-66.2-169.1165.900113.1A445 V449A445-E447 PolarHBondContact O-N 3.42Å; E447-V449 VanDerWaalsContact C-N 3.25Å; E447-V449 PolarHBondContact O-N 3.06Å
448S76.8Confident74.6Confident60 Ų6068.3 Ų68.342%0.4235%0.349SS..THydrogen-bonded Turntrans-70.4-16179.574.90000114.5S405 D446S405-S448 WeakPolarHBondContact CB-O 3.25Å; S405-S448 PolarHBondContact OG-O 3.46Å; S405-S448 VanDerWaalsContact OG-O 3.13Å; D446-S448 PolarHBondContact O-N 3.47Å; D446-S448 WeakPolarHBondContact OD1-CB 3.39Å; D446-S448 PolarHBondContact OD1-N 2.96Å; D446-S448 PolarHBondContact OD1-OG 3.11Å; D446-S448 PolarHBondContact OD2-OG 3.15Å
449V85.9Confident74.1Confident5 Ų566.5 Ų66.53%0.0334%0.339CS..  trans-88126-179.3-1770000112.1F407 V437 F442 D446 E447 L451 I452 K467F407-V449 HydrophobicContact CB-CG1 3.83Å; V437-V449 HydrophobicContact CB-CG2 4.48Å; V437-V449 HydrophobicContact CG1-CG2 4.4Å; V437-V449 HydrophobicContact CG2-CG2 3.69Å; F442-V449 HydrophobicContact CD2-CG2 3.69Å; F442-V449 HydrophobicContact CE2-CB 3.95Å; F442-V449 HydrophobicContact CE2-CG1 4.14Å; F442-V449 HydrophobicContact CE2-CG2 3.47Å; F442-V449 VanDerWaalsContact CE2-CG2 3.47Å; D446-V449 PolarHBondContact O-N 3.06Å; E447-V449 VanDerWaalsContact C-N 3.25Å; E447-V449 PolarHBondContact O-N 3.06Å; V449-L451 WeakPolarHBondContact CG1-O 3.5Å; V449-I452 HydrophobicContact CG1-CG1 4.47Å; V449-K467 PolarHBondContact O-NZ 3.39Å
450D87.3Confident73.6Confident28 Ų2868.1 Ų68.115%0.1535%0.349CS..  trans-94.8-34.1-176.6-60.8-55.5000113.2L404 S405 P468 I491 K495L404-D450 WeakPolarHBondContact CA-OD2 3.41Å; L404-D450 HydrophobicContact CD2-CB 3.7Å; L404-D450 HydrophobicContact CG-CB 4.06Å; S405-D450 PolarHBondContact N-OD2 2.76Å; S405-D450 PolarHBondContact O-N 3.37Å; D450-P468 WeakPolarHBondContact O-CD 3.47Å; D450-P468 WeakPolarHBondContact O-CG 3.42Å; D450-I491 HydrophobicContact CB-CG2 4.28Å; D450-K495 WeakPolarHBondContact OD1-CE 3.26Å; D450-K495 IonicContact OD1-NZ 3.67Å; D450-K495 PolarHBondContact OD1-NZ 3.22Å; D450-K495 IonicContact OD2-NZ 3.82Å; D450-K495 PolarHBondContact OD2-NZ 2.83Å
451L89Confident73.4Confident0 Ų065 Ų650%033%0.331CS..EExtended strand (participates in β ladder)trans-139.8134.9-177.817759.2000110.8L404 S405 I406 F407 F424 V449 I453 P468 L470 M487 I491L404-L451 HydrophobicContact CD2-CB 3.9Å; S405-L451 PolarHBondContact O-N 3.37Å; I406-L451 WeakPolarHBondContact CA-O 3.36Å; I406-L451 HydrophobicContact CD1-CD2 4.22Å; I406-L451 HydrophobicContact CG1-CB 4.34Å; F407-L451 PolarHBondContact N-O 2.69Å; F424-L451 HydrophobicContact CE1-CD2 4.19Å; V449-L451 WeakPolarHBondContact CG1-O 3.5Å; L451-I453 HydrophobicContact CD2-CD1 4.5Å; L451-I453 HydrophobicContact CD2-CG1 4.16Å; L451-I453 HydrophobicContact CG-CG1 4.16Å; L451-P468 HydrophobicContact CD1-CB 3.96Å; L451-L470 HydrophobicContact CD1-CB 4.16Å; L451-M487 HydrophobicContact CD1-CG 3.62Å; L451-M487 HydrophobicContact CD1-SD 4.48Å; L451-M487 HydrophobicContact CD2-CG 4.26Å; L451-I491 HydrophobicContact CB-CD1 3.71Å; L451-I491 HydrophobicContact CD1-CD1 4.03Å; L451-I491 HydrophobicContact CD2-CD1 4.32Å; L451-I491 HydrophobicContact CG-CD1 4.22Å
452I87.4Confident73.6Confident1 Ų164.3 Ų64.31%0.00533%0.334CS..EExtended strand (participates in β ladder)trans-103.8129.1167.2-60.6173.3000108.4F407 F442 V449 F459 K467 P468 I469 L470F407-I452 HydrophobicContact CD1-CG1 4.31Å; F407-I452 HydrophobicContact CD1-CG2 4.01Å; F407-I452 WeakPolarHBondContact O-CA 3.37Å; F442-I452 HydrophobicContact CZ-CD1 4.14Å; F442-I452 HydrophobicContact CZ-CG1 4.45Å; V449-I452 HydrophobicContact CG1-CG1 4.47Å; I452-F459 HydrophobicContact CD1-CE1 4.33Å; I452-F459 HydrophobicContact CD1-CZ 4.22Å; I452-F459 HydrophobicContact CG2-CE1 4.49Å; I452-F459 HydrophobicContact CG2-CE2 3.91Å; I452-F459 HydrophobicContact CG2-CZ 3.79Å; I452-K467 HydrophobicContact CD1-CB 4.45Å; I452-P468 PolarHBondContact N-O 2.9Å; I452-I469 HydrophobicContact CB-CG1 4.18Å; I452-I469 HydrophobicContact CB-CG2 4.46Å; I452-I469 HydrophobicContact CD1-CG1 4.4Å; I452-I469 HydrophobicContact CG2-CG2 4.26Å; I452-I469 CarbonylContact O-C 3.54Å; I452-I469 WeakPolarHBondContact O-CA 3.26Å; I452-L470 PolarHBondContact O-N 3.21Å
453I87.2Confident74.1Confident0 Ų065.1 Ų65.10%034%0.339CS..EExtended strand (participates in β ladder)trans-110.3126.8170.3-59154.1000107.2I406 F407 I408 D409 F424 L451 L470 L472I406-I453 HydrophobicContact CD1-CD1 4.42Å; I406-I453 HydrophobicContact CG2-CD1 3.27Å; I406-I453 HydrophobicContact CG2-CG1 4.09Å; F407-I453 PolarHBondContact O-N 2.81Å; I408-I453 CarbonylContact C-O 3.22Å; I408-I453 WeakPolarHBondContact CA-O 3.49Å; I408-I453 HydrophobicContact CD1-CD1 4.48Å; I408-I453 HydrophobicContact CG1-CB 4.38Å; I408-I453 HydrophobicContact CG1-CD1 4.01Å; D409-I453 PolarHBondContact N-O 2.96Å; F424-I453 HydrophobicContact CD1-CD1 3.88Å; F424-I453 HydrophobicContact CD2-CD1 3.86Å; F424-I453 HydrophobicContact CE1-CD1 3.34Å; F424-I453 HydrophobicContact CE1-CG1 4Å; F424-I453 HydrophobicContact CE2-CD1 3.34Å; F424-I453 HydrophobicContact CE2-CG1 4.03Å; F424-I453 HydrophobicContact CE2-CG2 4.13Å; F424-I453 HydrophobicContact CG-CD1 4.08Å; F424-I453 HydrophobicContact CZ-CB 4.48Å; F424-I453 HydrophobicContact CZ-CD1 3.02Å; F424-I453 HydrophobicContact CZ-CG1 3.46Å; F424-I453 VanDerWaalsContact CZ-CG1 3.46Å; F424-I453 HydrophobicContact CZ-CG2 4.23Å; L451-I453 HydrophobicContact CD2-CD1 4.5Å; L451-I453 HydrophobicContact CD2-CG1 4.16Å; L451-I453 HydrophobicContact CG-CG1 4.16Å; I453-L470 CarbonylContact C-O 3.54Å; I453-L470 WeakPolarHBondContact CA-O 3.49Å; I453-L472 HydrophobicContact CG2-CD1 3.68Å; I453-L472 HydrophobicContact CG2-CG 4.13Å
454S86.7Confident74.2Confident0 Ų064.5 Ų64.50%034%0.341CS..EExtended strand (participates in β ladder)trans-126136.4174.6-175.40000111.8D409 N456 L470 F471 L472D409-S454 VanDerWaalsContact O-CA 3.26Å; D409-S454 WeakPolarHBondContact O-CA 3.21Å; D409-S454 PolarHBondContact OD2-OG 3.24Å; S454-N456 PolarHBondContact OG-N 3.31Å; S454-N456 PolarHBondContact OG-O 2.96Å; S454-N456 VanDerWaalsContact OG-O 3.12Å; S454-L470 PolarHBondContact N-O 3.43Å; S454-F471 WeakPolarHBondContact O-CA 3.36Å; S454-L472 PolarHBondContact O-N 2.87Å
455T85.3Confident74.8Confident19 Ų1967.1 Ų67.112%0.11735%0.352CS..SBendtrans-83.5-0.3168.762.60000112.6D409 D410 S411 L420 L472D409-T455 PolarHBondContact O-N 3.25Å; D410-T455 PolarHBondContact OD1-OG1 3.4Å; S411-T455 PolarHBondContact N-OG1 3.26Å; S411-T455 PolarHBondContact OG-OG1 3.45Å; L420-T455 HydrophobicContact CD1-CG2 3.71Å; T455-L472 WeakPolarHBondContact CA-O 3.36Å
456N80.6Confident75.8Confident54 Ų5470.6 Ų70.629%0.28936%0.36SS..  trans-119.3113.6-178.5-174.71.6000110.7S454 F458 F459 F471S454-N456 PolarHBondContact OG-N 3.31Å; S454-N456 PolarHBondContact OG-O 2.96Å; S454-N456 VanDerWaalsContact OG-O 3.12Å; N456-F458 PolarHBondContact ND2-O 3.34Å; N456-F458 PolarHBondContact O-N 2.96Å; N456-F458 VanDerWaalsContact O-N 3.11Å; N456-F458 PolarHBondContact OD1-N 3Å; N456-F459 PolarHBondContact O-N 3.32Å; N456-F471 WeakPolarHBondContact O-CD1 3.48Å; N456-F471 WeakPolarHBondContact O-CE1 3.42Å
457K75Confident76.4Confident131 Ų13169 Ų6957%0.5735%0.351SS*.SBendtrans-59.5-22.7175.8-75.4-176.7166.3175.70113.5F459 E473K457-F459 VanDerWaalsContact C-N 3.34Å; K457-F459 PolarHBondContact O-N 3.37Å; K457-E473 WeakPolarHBondContact CE-OE1 3.48Å; K457-E473 IonicContact NZ-OE1 3.98Å; K457-E473 PolarHBondContact NZ-OE1 3.39Å
458F72.4Confident77.2Confident173 Ų17363.2 Ų63.276%0.75933%0.326SS*.SBendtrans-93.667.6173.3-57.8-78.8000109.5N456 P460N456-F458 PolarHBondContact ND2-O 3.34Å; N456-F458 PolarHBondContact O-N 2.96Å; N456-F458 VanDerWaalsContact O-N 3.11Å; N456-F458 PolarHBondContact OD1-N 3Å; F458-P460 VanDerWaalsContact O-CD 3.23Å; F458-P460 WeakPolarHBondContact O-CD 3.23Å
459F67Low77.7Confident29 Ų2962.3 Ų62.313%0.12732%0.316CS..  trans-67.4110.6173.4-165.8-110.5000108.6D409 L444 I452 N456 K457 I461 I469 F471D409-F459 HydrophobicContact CB-CD2 4.35Å; D409-F459 HydrophobicContact CB-CE2 3.75Å; D409-F459 VanDerWaalsContact OD2-CD2 3.26Å; D409-F459 WeakPolarHBondContact OD2-CD2 3.28Å; D409-F459 WeakPolarHBondContact OD2-CE2 3.47Å; L444-F459 HydrophobicContact CD2-CE1 4.29Å; I452-F459 HydrophobicContact CD1-CE1 4.33Å; I452-F459 HydrophobicContact CD1-CZ 4.22Å; I452-F459 HydrophobicContact CG2-CE1 4.49Å; I452-F459 HydrophobicContact CG2-CE2 3.91Å; I452-F459 HydrophobicContact CG2-CZ 3.79Å; N456-F459 PolarHBondContact O-N 3.32Å; K457-F459 VanDerWaalsContact C-N 3.34Å; K457-F459 PolarHBondContact O-N 3.37Å; F459-I461 HydrophobicContact CD1-CB 4.45Å; F459-I461 HydrophobicContact CE1-CB 4.09Å; F459-I461 HydrophobicContact CZ-CD1 4.43Å; F459-I461 PolarHBondContact O-N 2.84Å; F459-I461 VanDerWaalsContact O-N 3.08Å; F459-I469 HydrophobicContact CD1-CD1 4.04Å; F459-I469 HydrophobicContact CE1-CD1 4.3Å; F459-F471 HydrophobicContact CB-CE1 3.93Å; F459-F471 HydrophobicContact CB-CZ 4.04Å
460P60.7Low77.8Confident112 Ų11262.7 Ų62.773%0.72732%0.318SS*.  trans-77.80.5-16328.3-31.2000113.6F458F458-P460 VanDerWaalsContact O-CD 3.23Å; F458-P460 WeakPolarHBondContact O-CD 3.23Å
461I63.2Low77.8Confident83 Ų8365.2 Ų65.243%0.42633%0.328SS..SBendtrans-114.6128.2-166.6-37.5173000110.9L444 F459 N463L444-I461 HydrophobicContact CD1-CB 3.79Å; L444-I461 HydrophobicContact CD1-CD1 3.45Å; L444-I461 VanDerWaalsContact CD1-CD1 3.45Å; L444-I461 HydrophobicContact CD1-CG1 4.16Å; L444-I461 HydrophobicContact CD1-CG2 3.33Å; L444-I461 HydrophobicContact CD2-CB 3.93Å; L444-I461 HydrophobicContact CD2-CG2 3.66Å; L444-I461 HydrophobicContact CG-CB 4.49Å; L444-I461 HydrophobicContact CG-CG2 4.03Å; F459-I461 HydrophobicContact CD1-CB 4.45Å; F459-I461 HydrophobicContact CE1-CB 4.09Å; F459-I461 HydrophobicContact CZ-CD1 4.43Å; F459-I461 PolarHBondContact O-N 2.84Å; F459-I461 VanDerWaalsContact O-N 3.08Å; I461-N463 PolarHBondContact O-N 2.92Å
462K66Low77.5Confident183 Ų18365.3 Ų65.380%0.79633%0.329SS*.  trans-59.1120.2177.6-96.8-177.4173.6-179.80109.7V464K462-V464 VanDerWaalsContact C-N 3.27Å; K462-V464 HydrophobicContact CB-CG2 4.31Å; K462-V464 WeakPolarHBondContact O-CG2 3.38Å; K462-V464 PolarHBondContact O-N 3.14Å
463N72.9Confident76.8Confident43 Ų4368.9 Ų68.923%0.2335%0.345CS..  trans-77.672.7178-171.67.6000111.4I461 H465 N466 K467 I469I461-N463 PolarHBondContact O-N 2.92Å; N463-H465 PolarHBondContact O-N 3.07Å; N463-N466 PolarHBondContact O-N 3.22Å; N463-N466 VanDerWaalsContact O-N 3.1Å; N463-N466 PolarHBondContact OD1-N 3.45Å; N463-K467 PolarHBondContact ND2-N 3.08Å; N463-K467 VanDerWaalsContact ND2-N 3.19Å; N463-K467 PolarHBondContact ND2-O 2.96Å; N463-K467 PolarHBondContact OD1-N 3.36Å; N463-I469 HydrophobicContact CB-CD1 4.15Å
464V64.1Low76Confident116 Ų11670.4 Ų70.470%0.70336%0.355SS*.THydrogen-bonded Turntrans-60.7-31.7-170.2-172.40000113K462K462-V464 VanDerWaalsContact C-N 3.27Å; K462-V464 HydrophobicContact CB-CG2 4.31Å; K462-V464 WeakPolarHBondContact O-CG2 3.38Å; K462-V464 PolarHBondContact O-N 3.14Å
465H68.8Low75.3Confident91 Ų9178.4 Ų78.442%0.42139%0.39SS..THydrogen-bonded Turntrans-98.311.5-179.8-63.4-75.5000113.6N463 K467N463-H465 PolarHBondContact O-N 3.07Å; H465-K467 HydrophobicContact CB-CG 4.07Å; H465-K467 PolarHBondContact O-N 3.12Å; H465-K467 VanDerWaalsContact O-N 3.16Å
466N77.5Confident74.6Confident147 Ų14781.9 Ų81.979%0.78641%0.408SS*.  trans53.835.4179.9-123.822.5000113.4N463N463-N466 PolarHBondContact O-N 3.22Å; N463-N466 VanDerWaalsContact O-N 3.1Å; N463-N466 PolarHBondContact OD1-N 3.45Å
467K81Confident74.3Confident20 Ų2085.6 Ų85.69%0.08742%0.422CS..  trans-61.8145.6-178.7-63.5-163.4174.8-152.70111.1D446 V449 I452 N463 H465 I469D446-K467 PolarHBondContact O-NZ 3.5Å; V449-K467 PolarHBondContact O-NZ 3.39Å; I452-K467 HydrophobicContact CD1-CB 4.45Å; N463-K467 PolarHBondContact ND2-N 3.08Å; N463-K467 VanDerWaalsContact ND2-N 3.19Å; N463-K467 PolarHBondContact ND2-O 2.96Å; N463-K467 PolarHBondContact OD1-N 3.36Å; H465-K467 HydrophobicContact CB-CG 4.07Å; H465-K467 PolarHBondContact O-N 3.12Å; H465-K467 VanDerWaalsContact O-N 3.16Å; K467-I469 PolarHBondContact O-N 2.89Å
468P87.2Confident74.1Confident33 Ų3386 Ų8621%0.21442%0.421CS..  trans-55.6127.2169.8-20.630.1000110.7D450 L451 I452 M487 I491D450-P468 WeakPolarHBondContact O-CD 3.47Å; D450-P468 WeakPolarHBondContact O-CG 3.42Å; L451-P468 HydrophobicContact CD1-CB 3.96Å; I452-P468 PolarHBondContact N-O 2.9Å; P468-M487 HydrophobicContact CB-SD 3.82Å; P468-I491 HydrophobicContact CB-CD1 3.86Å; P468-I491 HydrophobicContact CB-CG1 4.15Å; P468-I491 HydrophobicContact CG-CD1 3.86Å; P468-I491 HydrophobicContact CG-CG1 3.77Å
469I87.1Confident74.3Confident40 Ų4082.2 Ų82.221%0.20541%0.405CS..EExtended strand (participates in β ladder)trans-121.1125.1173.1-53.8178.7000108I452 F459 N463 K467 F471I452-I469 HydrophobicContact CB-CG1 4.18Å; I452-I469 HydrophobicContact CB-CG2 4.46Å; I452-I469 HydrophobicContact CD1-CG1 4.4Å; I452-I469 HydrophobicContact CG2-CG2 4.26Å; I452-I469 CarbonylContact O-C 3.54Å; I452-I469 WeakPolarHBondContact O-CA 3.26Å; F459-I469 HydrophobicContact CD1-CD1 4.04Å; F459-I469 HydrophobicContact CE1-CD1 4.3Å; N463-I469 HydrophobicContact CB-CD1 4.15Å; K467-I469 PolarHBondContact O-N 2.89Å; I469-F471 HydrophobicContact CB-CE2 4.38Å; I469-F471 HydrophobicContact CG2-CD1 4.49Å; I469-F471 HydrophobicContact CG2-CD2 4.26Å; I469-F471 HydrophobicContact CG2-CE1 3.98Å; I469-F471 HydrophobicContact CG2-CE2 3.73Å; I469-F471 HydrophobicContact CG2-CZ 3.58Å
470L88Confident74.9Confident14 Ų1481.6 Ų81.67%0.07340%0.403CS..EExtended strand (participates in β ladder)trans-108.7122.1172.7-175.268.2000110.2F424 L451 I452 I453 S454 L472 N483 V484 M487F424-L470 HydrophobicContact CZ-CD2 4.01Å; L451-L470 HydrophobicContact CD1-CB 4.16Å; I452-L470 PolarHBondContact O-N 3.21Å; I453-L470 CarbonylContact C-O 3.54Å; I453-L470 WeakPolarHBondContact CA-O 3.49Å; S454-L470 PolarHBondContact N-O 3.43Å; L470-L472 HydrophobicContact CD2-CD1 4.46Å; L470-L472 HydrophobicContact CD2-CD2 3.91Å; L470-L472 HydrophobicContact CD2-CG 4.26Å; L470-L472 HydrophobicContact CG-CD2 4.04Å; L470-L472 HydrophobicContact CG-CG 4.28Å; L470-N483 HydrophobicContact CD1-CB 4Å; L470-V484 HydrophobicContact CD2-CB 4.3Å; L470-V484 HydrophobicContact CD2-CG2 3.62Å; L470-M487 HydrophobicContact CB-CE 4.44Å; L470-M487 HydrophobicContact CD1-CE 4.25Å
471F86.7Confident75.6Confident81 Ų8178.6 Ų78.636%0.35538%0.381SS..EExtended strand (participates in β ladder)trans-95.7123.3176-66.5-74000110.6S454 N456 F459 I469S454-F471 WeakPolarHBondContact O-CA 3.36Å; N456-F471 WeakPolarHBondContact O-CD1 3.48Å; N456-F471 WeakPolarHBondContact O-CE1 3.42Å; F459-F471 HydrophobicContact CB-CE1 3.93Å; F459-F471 HydrophobicContact CB-CZ 4.04Å; I469-F471 HydrophobicContact CB-CE2 4.38Å; I469-F471 HydrophobicContact CG2-CD1 4.49Å; I469-F471 HydrophobicContact CG2-CD2 4.26Å; I469-F471 HydrophobicContact CG2-CE1 3.98Å; I469-F471 HydrophobicContact CG2-CE2 3.73Å; I469-F471 HydrophobicContact CG2-CZ 3.58Å
472L83.5Confident76.4Confident2 Ų279.3 Ų79.31%0.0138%0.381CS..  trans-116.4116.2178.8-62.7179.7000110.2L420 F424 I453 S454 T455 L470 C474 D480 V484L420-L472 HydrophobicContact CD2-CD1 4.13Å; F424-L472 HydrophobicContact CE2-CD1 3.5Å; F424-L472 HydrophobicContact CZ-CD1 3.99Å; I453-L472 HydrophobicContact CG2-CD1 3.68Å; I453-L472 HydrophobicContact CG2-CG 4.13Å; S454-L472 PolarHBondContact O-N 2.87Å; T455-L472 WeakPolarHBondContact CA-O 3.36Å; L470-L472 HydrophobicContact CD2-CD1 4.46Å; L470-L472 HydrophobicContact CD2-CD2 3.91Å; L470-L472 HydrophobicContact CD2-CG 4.26Å; L470-L472 HydrophobicContact CG-CD2 4.04Å; L470-L472 HydrophobicContact CG-CG 4.28Å; L472-C474 VanDerWaalsContact C-N 3.28Å; L472-D480 HydrophobicContact CD2-CB 3.87Å; L472-D480 WeakPolarHBondContact CD2-OD1 3.46Å; L472-V484 HydrophobicContact CD1-CG2 4.25Å; L472-V484 HydrophobicContact CD2-CG2 4.4Å
473E72.2Confident77.2Confident75 Ų7573.7 Ų73.735%0.3536%0.359SS..  trans-77.1-19.4173.9-68.7-163.4179.200112.1K412 K457 K475K412-E473 PolarHBondContact NZ-O 3.03Å; K457-E473 WeakPolarHBondContact CE-OE1 3.48Å; K457-E473 IonicContact NZ-OE1 3.98Å; K457-E473 PolarHBondContact NZ-OE1 3.39Å; E473-K475 VanDerWaalsContact C-N 3.27Å; E473-K475 HydrophobicContact CB-CD 4.38Å; E473-K475 HydrophobicContact CB-CG 4.23Å; E473-K475 PolarHBondContact O-N 3.42Å; E473-K475 WeakPolarHBondContact OE2-CD 3.15Å; E473-K475 WeakPolarHBondContact OE2-CE 3.33Å; E473-K475 IonicContact OE2-NZ 2.82Å; E473-K475 PolarHBondContact OE2-NZ 3.42Å
474C70.3Confident77.7Confident32 Ų3271.6 Ų71.622%0.21635%0.348CS..SBendtrans59.734.4-176.7-50.30000113L472 D480L472-C474 VanDerWaalsContact C-N 3.28Å; C474-D480 WeakPolarHBondContact CA-OD2 3.37Å; C474-D480 PolarHBondContact N-OD2 3.48Å; C474-D480 VanDerWaalsContact N-OD2 3.13Å
475K71.2Confident78.4Confident169 Ų16967.5 Ų67.574%0.73532%0.322SS*.SBendtrans-98.4-40.5178.4-70.9-179.7-174.81570112.4E473E473-K475 VanDerWaalsContact C-N 3.27Å; E473-K475 HydrophobicContact CB-CD 4.38Å; E473-K475 HydrophobicContact CB-CG 4.23Å; E473-K475 PolarHBondContact O-N 3.42Å; E473-K475 WeakPolarHBondContact OE2-CD 3.15Å; E473-K475 WeakPolarHBondContact OE2-CE 3.33Å; E473-K475 IonicContact OE2-NZ 2.82Å; E473-K475 PolarHBondContact OE2-NZ 3.42Å
476D72.2Confident79.1Confident92 Ų9266.7 Ų66.749%0.49233%0.326SS..  trans-121.2107.1176-171.8-23.3000108.9Y478 E479 D480D476-Y478 PolarHBondContact O-N 3Å; D476-Y478 PolarHBondContact OD1-N 3.32Å; D476-E479 HydrophobicContact CB-CB 4.15Å; D476-E479 PolarHBondContact O-N 3.04Å; D476-E479 PolarHBondContact OD1-N 3.17Å; D476-D480 WeakPolarHBondContact O-CB 3.36Å; D476-D480 VanDerWaalsContact O-CG 3.29Å; D476-D480 PolarHBondContact O-N 3.04Å
477K73.1Confident79.6Confident131 Ų13161.4 Ų61.457%0.5730%0.297SS*.Hα-helixtrans-62.7-29.5-177.3-69.4-176.6-177.7176.40112.3W419 F423 L481W419-K477 HydrophobicContact CZ2-CD 4.37Å; F423-K477 HydrophobicContact CE2-CB 4.39Å; F423-K477 WeakPolarHBondContact CZ-O 3.18Å; K477-L481 VanDerWaalsContact O-CB 3.23Å; K477-L481 WeakPolarHBondContact O-CB 3.39Å; K477-L481 PolarHBondContact O-N 2.98Å; K477-L481 VanDerWaalsContact O-N 3.13Å
478Y70.5Confident79.8Confident141 Ų14160.6 Ų60.655%0.55329%0.294SS*.Hα-helixtrans-78.2-44.3-175.9-175.5-99.7000111.3D476 L481 K482D476-Y478 PolarHBondContact O-N 3Å; D476-Y478 PolarHBondContact OD1-N 3.32Å; Y478-L481 WeakPolarHBondContact O-CB 3.37Å; Y478-L481 PolarHBondContact O-N 3.33Å; Y478-K482 HydrophobicContact CE1-CD 3.99Å; Y478-K482 VanDerWaalsContact CE1-CE 3.45Å; Y478-K482 HydrophobicContact CE1-CG 4.47Å; Y478-K482 PolarHBondContact O-N 2.83Å; Y478-K482 WeakPolarHBondContact OH-CE 3.27Å
479E77.7Confident79.5Confident93 Ų9360.2 Ų60.244%0.43529%0.288SS..Hα-helixtrans-66.2-42.3176.8-167.863.2-167.500111.5D476 L481 K482 N483D476-E479 HydrophobicContact CB-CB 4.15Å; D476-E479 PolarHBondContact O-N 3.04Å; D476-E479 PolarHBondContact OD1-N 3.17Å; E479-L481 VanDerWaalsContact C-N 3.25Å; E479-L481 PolarHBondContact O-N 2.87Å; E479-K482 PolarHBondContact O-N 3.36Å; E479-N483 VanDerWaalsContact O-CG 3.3Å; E479-N483 PolarHBondContact O-N 3.45Å; E479-N483 PolarHBondContact O-ND2 3.43Å
480D79.4Confident79.4Confident15 Ų1563.8 Ų63.88%0.0830%0.302CS..Hα-helixtrans-57.8-41.5172.8-75.4-24.1000110.6F423 L472 C474 D476 N483 V484F423-D480 HydrophobicContact CE1-CB 4.43Å; F423-D480 HydrophobicContact CZ-CB 4.29Å; L472-D480 HydrophobicContact CD2-CB 3.87Å; L472-D480 WeakPolarHBondContact CD2-OD1 3.46Å; C474-D480 WeakPolarHBondContact CA-OD2 3.37Å; C474-D480 PolarHBondContact N-OD2 3.48Å; C474-D480 VanDerWaalsContact N-OD2 3.13Å; D476-D480 WeakPolarHBondContact O-CB 3.36Å; D476-D480 VanDerWaalsContact O-CG 3.29Å; D476-D480 PolarHBondContact O-N 3.04Å; D480-N483 PolarHBondContact O-N 3.06Å; D480-V484 VanDerWaalsContact O-CG2 3.28Å; D480-V484 WeakPolarHBondContact O-CG2 3.22Å; D480-V484 PolarHBondContact O-N 3.1Å
481L76.1Confident79.2Confident50 Ų5063.5 Ų63.526%0.26230%0.3SS..Hα-helixtrans-63.9-44.7179.1-158.6143000112.1F423 K477 Y478 E479 N483 V484 Q485F423-L481 HydrophobicContact CE2-CD1 4.05Å; F423-L481 HydrophobicContact CZ-CB 3.86Å; F423-L481 HydrophobicContact CZ-CD1 4.11Å; F423-L481 HydrophobicContact CZ-CG 4.24Å; K477-L481 VanDerWaalsContact O-CB 3.23Å; K477-L481 WeakPolarHBondContact O-CB 3.39Å; K477-L481 PolarHBondContact O-N 2.98Å; K477-L481 VanDerWaalsContact O-N 3.13Å; Y478-L481 WeakPolarHBondContact O-CB 3.37Å; Y478-L481 PolarHBondContact O-N 3.33Å; E479-L481 VanDerWaalsContact C-N 3.25Å; E479-L481 PolarHBondContact O-N 2.87Å; L481-N483 VanDerWaalsContact C-N 3.33Å; L481-N483 PolarHBondContact O-N 3.23Å; L481-V484 PolarHBondContact O-N 3.34Å; L481-Q485 HydrophobicContact CD2-CG 4.32Å; L481-Q485 WeakPolarHBondContact O-CG 3.03Å; L481-Q485 PolarHBondContact O-N 2.89Å
482K78.1Confident78.9Confident98 Ų9859.6 Ų59.643%0.42628%0.284SS..Hα-helixtrans-59-44173.6-85.9-176.3172.5178.90112.2Y478 E479 Q485 S486Y478-K482 HydrophobicContact CE1-CD 3.99Å; Y478-K482 VanDerWaalsContact CE1-CE 3.45Å; Y478-K482 HydrophobicContact CE1-CG 4.47Å; Y478-K482 PolarHBondContact O-N 2.83Å; Y478-K482 WeakPolarHBondContact OH-CE 3.27Å; E479-K482 PolarHBondContact O-N 3.36Å; K482-Q485 PolarHBondContact O-N 2.59Å; K482-S486 WeakPolarHBondContact O-CB 3.41Å; K482-S486 PolarHBondContact O-N 3.4Å
483N83.7Confident78.6Confident64 Ų6463.6 Ų63.634%0.34230%0.303SS..Hα-helixtrans-66.2-38.6-179.6-71.1-37.5000112.1L470 E479 D480 L481 M487L470-N483 HydrophobicContact CD1-CB 4Å; E479-N483 VanDerWaalsContact O-CG 3.3Å; E479-N483 PolarHBondContact O-N 3.45Å; E479-N483 PolarHBondContact O-ND2 3.43Å; D480-N483 PolarHBondContact O-N 3.06Å; L481-N483 VanDerWaalsContact C-N 3.33Å; L481-N483 PolarHBondContact O-N 3.23Å; N483-M487 WeakPolarHBondContact O-CB 3.42Å; N483-M487 PolarHBondContact O-N 3.44Å
484V83.7Confident79Confident0 Ų064.3 Ų64.30%031%0.307CS..Hα-helixtrans-59.2-52.8172.2169.80000111.1F423 F424 S427 T428 L470 L472 D480 L481 S486 M487 V488F423-V484 HydrophobicContact CE1-CG2 4.32Å; F424-V484 HydrophobicContact CD1-CG1 3.49Å; F424-V484 VanDerWaalsContact CD1-CG1 3.49Å; F424-V484 HydrophobicContact CD1-CG2 4.33Å; F424-V484 HydrophobicContact CD2-CG2 4.3Å; F424-V484 HydrophobicContact CE1-CB 3.99Å; F424-V484 HydrophobicContact CE1-CG1 3.21Å; F424-V484 HydrophobicContact CE1-CG2 3.59Å; F424-V484 HydrophobicContact CE2-CG1 4.46Å; F424-V484 HydrophobicContact CE2-CG2 3.55Å; F424-V484 HydrophobicContact CG-CG1 4.25Å; F424-V484 HydrophobicContact CZ-CB 4.05Å; F424-V484 HydrophobicContact CZ-CG1 3.77Å; F424-V484 HydrophobicContact CZ-CG2 3.14Å; S427-V484 VanDerWaalsContact OG-CG1 3.32Å; S427-V484 WeakPolarHBondContact OG-CG1 3.28Å; T428-V484 HydrophobicContact CG2-CG1 4.38Å; L470-V484 HydrophobicContact CD2-CB 4.3Å; L470-V484 HydrophobicContact CD2-CG2 3.62Å; L472-V484 HydrophobicContact CD1-CG2 4.25Å; L472-V484 HydrophobicContact CD2-CG2 4.4Å; D480-V484 VanDerWaalsContact O-CG2 3.28Å; D480-V484 WeakPolarHBondContact O-CG2 3.22Å; D480-V484 PolarHBondContact O-N 3.1Å; L481-V484 PolarHBondContact O-N 3.34Å; V484-S486 PolarHBondContact O-N 2.94Å; V484-M487 PolarHBondContact O-N 3.16Å; V484-V488 HydrophobicContact CG1-CG2 4.34Å; V484-V488 WeakPolarHBondContact O-CG2 3.46Å; V484-V488 PolarHBondContact O-N 3.05Å
485Q79.2Confident79.4Confident30 Ų3065.4 Ų65.414%0.1431%0.308CS..Hα-helixtrans-60.1-46.7-178.2-72.1176.9-21.300111.5S427 L481 K482 M487 V488 R489S427-Q485 WeakPolarHBondContact O-CG 3.31Å; S427-Q485 PolarHBondContact O-NE2 3.4Å; L481-Q485 HydrophobicContact CD2-CG 4.32Å; L481-Q485 WeakPolarHBondContact O-CG 3.03Å; L481-Q485 PolarHBondContact O-N 2.89Å; K482-Q485 PolarHBondContact O-N 2.59Å; Q485-M487 VanDerWaalsContact C-N 3.33Å; Q485-M487 PolarHBondContact O-N 3.3Å; Q485-V488 PolarHBondContact O-N 3.33Å; Q485-R489 VanDerWaalsContact O-CG 3.31Å; Q485-R489 WeakPolarHBondContact O-CG 3.38Å; Q485-R489 PolarHBondContact O-N 2.61Å
486S83.3Confident79.2Confident73 Ų7358.6 Ų58.651%0.5128%0.279SS..Hα-helixtrans-58.3-44177.1-175.80000112.1K482 V484 R489 K490K482-S486 WeakPolarHBondContact O-CB 3.41Å; K482-S486 PolarHBondContact O-N 3.4Å; V484-S486 PolarHBondContact O-N 2.94Å; S486-R489 PolarHBondContact O-N 2.7Å; S486-K490 PolarHBondContact O-N 3.08Å
487M87.5Confident79.2Confident36 Ų3661.1 Ų61.118%0.17729%0.286CS..Hα-helixtrans-66.7-44.4179-171.662.673.900112.1L451 P468 L470 N483 V484 Q485 R489 K490 I491L451-M487 HydrophobicContact CD1-CG 3.62Å; L451-M487 HydrophobicContact CD1-SD 4.48Å; L451-M487 HydrophobicContact CD2-CG 4.26Å; P468-M487 HydrophobicContact CB-SD 3.82Å; L470-M487 HydrophobicContact CB-CE 4.44Å; L470-M487 HydrophobicContact CD1-CE 4.25Å; N483-M487 WeakPolarHBondContact O-CB 3.42Å; N483-M487 PolarHBondContact O-N 3.44Å; V484-M487 PolarHBondContact O-N 3.16Å; Q485-M487 VanDerWaalsContact C-N 3.33Å; Q485-M487 PolarHBondContact O-N 3.3Å; M487-R489 VanDerWaalsContact C-N 3.34Å; M487-R489 PolarHBondContact O-N 3.14Å; M487-K490 PolarHBondContact O-N 2.92Å; M487-I491 HydrophobicContact CG-CD1 4.14Å; M487-I491 WeakPolarHBondContact O-CG1 3.31Å; M487-I491 PolarHBondContact O-N 3.49Å
488V85Confident79Confident4 Ų460.7 Ų60.72%0.02429%0.289CS..Hα-helixtrans-58.4-47.5177167.70000110.5L404 T428 V432 V484 Q485 K490 I491 M492L404-V488 HydrophobicContact CD1-CG1 4.18Å; T428-V488 HydrophobicContact CG2-CG1 4.45Å; T428-V488 HydrophobicContact CG2-CG2 3.95Å; V432-V488 HydrophobicContact CG1-CG1 3.94Å; V432-V488 HydrophobicContact CG2-CG1 3.77Å; V484-V488 HydrophobicContact CG1-CG2 4.34Å; V484-V488 WeakPolarHBondContact O-CG2 3.46Å; V484-V488 PolarHBondContact O-N 3.05Å; Q485-V488 PolarHBondContact O-N 3.33Å; V488-K490 VanDerWaalsContact C-N 3.34Å; V488-K490 PolarHBondContact O-N 2.76Å; V488-I491 PolarHBondContact O-N 3.32Å; V488-M492 HydrophobicContact CG1-CG 4.43Å; V488-M492 HydrophobicContact CG1-SD 3.98Å; V488-M492 WeakPolarHBondContact O-CG 3.32Å; V488-M492 PolarHBondContact O-N 3.26Å
489R80.1Confident78.5Confident24 Ų2459 Ų599%0.09129%0.289CS..Hα-helixtrans-58.5-44.5176.8-71.3173.5-173.1147.16.9112.4Y353 E355 D356 Q485 S486 M487 I491 M492 M493Y353-R489 VanDerWaalsContact CD2-NH2 3.35Å; Y353-R489 VanDerWaalsContact CG-NH2 3.31Å; E355-R489 WeakPolarHBondContact OE2-CD 3.38Å; E355-R489 IonicContact OE2-CZ 3.76Å; E355-R489 IonicContact OE2-NE 2.87Å; E355-R489 IonicContact OE2-NH1 3.85Å; E355-R489 PolarHBondContact OE2-NH1 2.76Å; E355-R489 VanDerWaalsContact OE2-NH1 3.11Å; D356-R489 WeakPolarHBondContact OD1-CD 3.38Å; D356-R489 IonicContact OD1-CZ 2.78Å; D356-R489 IonicContact OD1-NE 3.6Å; D356-R489 PolarHBondContact OD1-NE 3Å; D356-R489 IonicContact OD1-NH2 3.82Å; D356-R489 IonicContact OD2-CZ 3.64Å; D356-R489 IonicContact OD2-NE 3.56Å; D356-R489 IonicContact OD2-NH2 3.11Å; D356-R489 PolarHBondContact OD2-NH2 2.93Å; Q485-R489 VanDerWaalsContact O-CG 3.31Å; Q485-R489 WeakPolarHBondContact O-CG 3.38Å; Q485-R489 PolarHBondContact O-N 2.61Å; S486-R489 PolarHBondContact O-N 2.7Å; M487-R489 VanDerWaalsContact C-N 3.34Å; M487-R489 PolarHBondContact O-N 3.14Å; R489-I491 VanDerWaalsContact C-N 3.34Å; R489-I491 PolarHBondContact O-N 2.86Å; R489-M492 PolarHBondContact O-N 3.3Å; R489-M493 WeakPolarHBondContact O-CG 3.32Å; R489-M493 PolarHBondContact O-N 2.82Å
490K85Confident77.3Confident116 Ų11660.8 Ų60.850%0.50430%0.297SS..Hα-helixtrans-58.3-46.6177.6-176.8-178.8174.6-175.10111.5S486 M487 V488 M493 E494S486-K490 PolarHBondContact O-N 3.08Å; M487-K490 PolarHBondContact O-N 2.92Å; V488-K490 VanDerWaalsContact C-N 3.34Å; V488-K490 PolarHBondContact O-N 2.76Å; K490-M493 PolarHBondContact O-N 3.41Å; K490-E494 VanDerWaalsContact CE-OE1 3.23Å; K490-E494 WeakPolarHBondContact CE-OE1 3.27Å; K490-E494 PolarHBondContact O-N 2.96Å
491I85.5Confident76Confident7 Ų766.2 Ų66.24%0.03633%0.331CS..Hα-helixtrans-64.2-44179.8-66171.5000111L404 D450 L451 P468 M487 V488 R489 M493 E494 K495L404-I491 HydrophobicContact CD1-CB 4.49Å; L404-I491 HydrophobicContact CD1-CG2 4.12Å; L404-I491 HydrophobicContact CD2-CD1 4.05Å; L404-I491 HydrophobicContact CD2-CG2 4.23Å; L404-I491 HydrophobicContact CG-CG2 4.28Å; D450-I491 HydrophobicContact CB-CG2 4.28Å; L451-I491 HydrophobicContact CB-CD1 3.71Å; L451-I491 HydrophobicContact CD1-CD1 4.03Å; L451-I491 HydrophobicContact CD2-CD1 4.32Å; L451-I491 HydrophobicContact CG-CD1 4.22Å; P468-I491 HydrophobicContact CB-CD1 3.86Å; P468-I491 HydrophobicContact CB-CG1 4.15Å; P468-I491 HydrophobicContact CG-CD1 3.86Å; P468-I491 HydrophobicContact CG-CG1 3.77Å; M487-I491 HydrophobicContact CG-CD1 4.14Å; M487-I491 WeakPolarHBondContact O-CG1 3.31Å; M487-I491 PolarHBondContact O-N 3.49Å; V488-I491 PolarHBondContact O-N 3.32Å; R489-I491 VanDerWaalsContact C-N 3.34Å; R489-I491 PolarHBondContact O-N 2.86Å; I491-M493 VanDerWaalsContact C-N 3.35Å; I491-M493 PolarHBondContact O-N 2.94Å; I491-E494 PolarHBondContact O-N 3.37Å; I491-K495 PolarHBondContact O-N 2.91Å
492M79Confident74.3Confident0 Ų075.2 Ų75.20%037%0.368CS..Hα-helixtrans-59.5-45.8177-69.2175.484.600111.4I359 T400 Y402 L404 L431 V432 V488 R489 E494 K495 N496I359-M492 HydrophobicContact CD1-CB 4.14Å; I359-M492 HydrophobicContact CD1-SD 4.33Å; I359-M492 HydrophobicContact CG2-CE 3.59Å; T400-M492 HydrophobicContact CG2-CE 4.02Å; Y402-M492 HydrophobicContact CD2-CE 4Å; Y402-M492 HydrophobicContact CG-CE 4.26Å; L404-M492 HydrophobicContact CD1-CG 4.37Å; L431-M492 HydrophobicContact CD2-CE 4.34Å; L431-M492 HydrophobicContact CD2-SD 4.02Å; V432-M492 HydrophobicContact CG1-CE 3.6Å; V432-M492 HydrophobicContact CG1-CG 3.77Å; V432-M492 HydrophobicContact CG1-SD 3.33Å; V432-M492 WeakPolarHBondContact CG1-SD 3.38Å; V488-M492 HydrophobicContact CG1-CG 4.43Å; V488-M492 HydrophobicContact CG1-SD 3.98Å; V488-M492 WeakPolarHBondContact O-CG 3.32Å; V488-M492 PolarHBondContact O-N 3.26Å; R489-M492 PolarHBondContact O-N 3.3Å; M492-E494 VanDerWaalsContact C-N 3.35Å; M492-E494 PolarHBondContact O-N 3.41Å; M492-K495 PolarHBondContact O-N 3.27Å; M492-N496 WeakPolarHBondContact O-CB 3.1Å; M492-N496 PolarHBondContact O-N 3.46Å
493M78.2Confident74.1Confident85 Ų8574.1 Ų74.142%0.41937%0.365SS..Hα-helixtrans-61-40.7176.6-74.3-175.1173.200112.6E355 I359 R489 K490 I491 N496 K497E355-M493 HydrophobicContact CB-CE 4.49Å; I359-M493 HydrophobicContact CD1-CG 4.36Å; R489-M493 WeakPolarHBondContact O-CG 3.32Å; R489-M493 PolarHBondContact O-N 2.82Å; K490-M493 PolarHBondContact O-N 3.41Å; I491-M493 VanDerWaalsContact C-N 3.35Å; I491-M493 PolarHBondContact O-N 2.94Å; M493-N496 PolarHBondContact O-N 2.88Å; M493-K497 WeakPolarHBondContact O-CG 3.45Å; M493-K497 PolarHBondContact O-N 2.89Å; M493-K497 VanDerWaalsContact O-N 3.13Å
494E81Confident73.6Confident91 Ų9174.6 Ų74.643%0.42537%0.366SS..Hα-helixtrans-66.4-45.3177.2-76.7177.5-176.800112.1K490 I491 M492 N496 K497 L498K490-E494 VanDerWaalsContact CE-OE1 3.23Å; K490-E494 WeakPolarHBondContact CE-OE1 3.27Å; K490-E494 PolarHBondContact O-N 2.96Å; I491-E494 PolarHBondContact O-N 3.37Å; M492-E494 VanDerWaalsContact C-N 3.35Å; M492-E494 PolarHBondContact O-N 3.41Å; E494-N496 VanDerWaalsContact C-N 3.3Å; E494-N496 PolarHBondContact O-N 3.44Å; E494-K497 PolarHBondContact O-N 2.98Å; E494-L498 PolarHBondContact O-N 3.09Å
495K77Confident73.1Confident55 Ų5578.8 Ų78.824%0.23939%0.387CS..Hα-helixtrans-61.8-38174.7-75.9-170170-1740112.1Y402 E403 D450 I491 M492 L498 L499Y402-K495 HydrophobicContact CD1-CB 4.38Å; Y402-K495 HydrophobicContact CD1-CD 3.98Å; Y402-K495 HydrophobicContact CE1-CB 3.59Å; Y402-K495 HydrophobicContact CE1-CD 3.95Å; Y402-K495 HydrophobicContact CE1-CG 4.43Å; E403-K495 PolarHBondContact O-NZ 2.93Å; D450-K495 WeakPolarHBondContact OD1-CE 3.26Å; D450-K495 IonicContact OD1-NZ 3.67Å; D450-K495 PolarHBondContact OD1-NZ 3.22Å; D450-K495 IonicContact OD2-NZ 3.82Å; D450-K495 PolarHBondContact OD2-NZ 2.83Å; I491-K495 PolarHBondContact O-N 2.91Å; M492-K495 PolarHBondContact O-N 3.27Å; K495-L498 PolarHBondContact O-N 2.92Å; K495-L499 PolarHBondContact O-N 2.8Å; K495-L499 VanDerWaalsContact O-N 3.15Å
496N67.7Low72.7Confident25 Ų2581.6 Ų81.613%0.13440%0.401CS..Hα-helixtrans-62-45.5177.2-115.4-25.4000111.9Y402 M492 M493 E494 L498 L499 Q500Y402-N496 WeakPolarHBondContact OH-CA 3.36Å; Y402-N496 PolarHBondContact OH-N 3.36Å; Y402-N496 PolarHBondContact OH-OD1 2.96Å; M492-N496 WeakPolarHBondContact O-CB 3.1Å; M492-N496 PolarHBondContact O-N 3.46Å; M493-N496 PolarHBondContact O-N 2.88Å; E494-N496 VanDerWaalsContact C-N 3.3Å; E494-N496 PolarHBondContact O-N 3.44Å; N496-L498 PolarHBondContact O-N 3.16Å; N496-L499 PolarHBondContact O-N 2.78Å; N496-L499 VanDerWaalsContact O-N 3.1Å; N496-Q500 PolarHBondContact O-N 2.93Å
497K72.7Confident72Confident145 Ų14582.2 Ų82.263%0.6339%0.394SS*.Hα-helixtrans-59-37.6175.3-73.6178.1-178.51780112.4M493 E494 L499 Q500 V501M493-K497 WeakPolarHBondContact O-CG 3.45Å; M493-K497 PolarHBondContact O-N 2.89Å; M493-K497 VanDerWaalsContact O-N 3.13Å; E494-K497 PolarHBondContact O-N 2.98Å; K497-L499 VanDerWaalsContact C-N 3.32Å; K497-L499 PolarHBondContact O-N 2.96Å; K497-Q500 PolarHBondContact O-N 2.69Å; K497-V501 WeakPolarHBondContact O-CG2 3.4Å
498L68.5Low71Confident123 Ų12385.3 Ų85.364%0.64441%0.409SS*.Hα-helixtrans-69.3-28.4178-73165.3000113.2E494 K495 N496E494-L498 PolarHBondContact O-N 3.09Å; K495-L498 PolarHBondContact O-N 2.92Å; N496-L498 PolarHBondContact O-N 3.16Å
499L61.1Low70Confident106 Ų10691.1 Ų91.156%0.55544%0.436SS*.Hα-helixtrans-74.2-31.9175.6-74.4164.8000112.5Y402 K495 N496 K497 V501Y402-L499 WeakPolarHBondContact OH-CD1 3.42Å; K495-L499 PolarHBondContact O-N 2.8Å; K495-L499 VanDerWaalsContact O-N 3.15Å; N496-L499 PolarHBondContact O-N 2.78Å; N496-L499 VanDerWaalsContact O-N 3.1Å; K497-L499 VanDerWaalsContact C-N 3.32Å; K497-L499 PolarHBondContact O-N 2.96Å; L499-V501 VanDerWaalsContact C-N 3.3Å; L499-V501 PolarHBondContact O-N 3.11Å
500Q51.4Low69.2Low130 Ų13096.2 Ų96.261%0.60746%0.463SS*.Hα-helixtrans-76.4-13.7178.5-68-178.6-10.100114.2E362 N496 K497E362-Q500 PolarHBondContact OE1-NE2 3.12Å; N496-Q500 PolarHBondContact O-N 2.93Å; K497-Q500 PolarHBondContact O-N 2.69Å
501V53Low67.9Low129 Ų12994.6 Ų94.678%0.78246%0.459SS*.THydrogen-bonded Turntrans-96.1-6.4-179.8178.90000112K497 L499K497-V501 WeakPolarHBondContact O-CG2 3.4Å; L499-V501 VanDerWaalsContact C-N 3.3Å; L499-V501 PolarHBondContact O-N 3.11Å
502K40.2Very low66.3Low239 Ų239102.5 Ų102.5100%1.03950%0.498SS*.  trans-99.30170.9-76.9-176.5175.5178.70110.2

Retrieved 502 of 502 residues in 763.9 ms (Link to these results)

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