A0A077YZ13_TRITR Loading...

Mesencephalic astrocyte-derived neurotrophic factor homolog

AlphaFold DB , UniProt , Accession A0A077YZ13, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 139 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
1M75Confident80.3Confident33 Ų3366 Ų6616%0.16339%0.389CS..  0-49.50-127.5159.962.800114.6K3 I4 A5 F37 V55 P65 V68 C69 L72M1-K3 VanDerWaalsContact C-N 3.26Å; M1-K3 PolarHBondContact O-N 3.3Å; M1-I4 WeakPolarHBondContact O-CB 3.37Å; M1-I4 PolarHBondContact O-N 3.37Å; M1-A5 PolarHBondContact O-N 2.83Å; M1-F37 HydrophobicContact CB-CZ 3.98Å; M1-F37 HydrophobicContact CG-CZ 4Å; M1-F37 HydrophobicContact SD-CZ 4.2Å; M1-V55 HydrophobicContact SD-CG1 4.2Å; M1-P65 HydrophobicContact CB-CB 4.42Å; M1-P65 HydrophobicContact CE-CB 4.33Å; M1-P65 WeakPolarHBondContact CE-O 3.33Å; M1-V68 HydrophobicContact CE-CB 3.46Å; M1-V68 VanDerWaalsContact CE-CB 3.46Å; M1-V68 HydrophobicContact CE-CG1 3.57Å; M1-V68 HydrophobicContact SD-CG1 4.26Å; M1-C69 HydrophobicContact CE-CB 3.8Å; M1-C69 VanDerWaalsContact CE-N 3.28Å; M1-L72 HydrophobicContact CE-CD1 4.48Å; M1-L72 HydrophobicContact SD-CD1 3.89Å
2S74Confident81Confident73 Ų7362.8 Ų62.851%0.5137%0.371SS..Hα-helixtrans-56-38.2179.6-46.20000113.6I4 A5 A6S2-I4 PolarHBondContact O-N 2.01Å; S2-A5 PolarHBondContact O-N 2.99Å; S2-A6 WeakPolarHBondContact O-CB 3.47Å; S2-A6 PolarHBondContact O-N 3.4Å
3K77.3Confident81.4Confident148 Ų14860.4 Ų60.464%0.64336%0.355SS*.Hα-helixtrans-60.9-39.7172.9-65.2-170.2175.4-1700113.5M1 A5 A6 D7M1-K3 VanDerWaalsContact C-N 3.26Å; M1-K3 PolarHBondContact O-N 3.3Å; K3-A5 PolarHBondContact O-N 3.26Å; K3-A6 PolarHBondContact O-N 3.35Å; K3-D7 WeakPolarHBondContact O-CB 3.42Å; K3-D7 PolarHBondContact O-N 3.46Å; K3-D7 VanDerWaalsContact O-OD2 3.1Å
4I77.3Confident81.7Confident4 Ų464.8 Ų64.82%0.02137%0.367CS..Hα-helixtrans-61.6-47.3178.5-64.9175.8000110.2M1 S2 A8 Y22 I23 F37 I41M1-I4 WeakPolarHBondContact O-CB 3.37Å; M1-I4 PolarHBondContact O-N 3.37Å; S2-I4 PolarHBondContact O-N 2.01Å; I4-A8 WeakPolarHBondContact O-CB 3.43Å; I4-A8 PolarHBondContact O-N 3.4Å; I4-Y22 HydrophobicContact CG2-CD1 4.34Å; I4-Y22 HydrophobicContact CG2-CE1 3.94Å; I4-I23 HydrophobicContact CD1-CG2 4.39Å; I4-I23 HydrophobicContact CG2-CD1 4.09Å; I4-I23 HydrophobicContact CG2-CG1 3.62Å; I4-F37 HydrophobicContact CD1-CE1 4.15Å; I4-I41 HydrophobicContact CD1-CD1 4.4Å
5A77.8Confident82.3Confident24 Ų2464.2 Ų64.220%0.19836%0.363CS..Hα-helixtrans-72.4-30.2-179.100000113M1 S2 K3 I13 L59 P65M1-A5 PolarHBondContact O-N 2.83Å; S2-A5 PolarHBondContact O-N 2.99Å; K3-A5 PolarHBondContact O-N 3.26Å; A5-I13 WeakPolarHBondContact O-CD1 3.2Å; A5-L59 HydrophobicContact CB-CD2 4.31Å; A5-P65 HydrophobicContact CB-CG 3.49Å; A5-P65 VanDerWaalsContact CB-CG 3.49Å
6A80.1Confident82.7Confident78 Ų7864.2 Ų64.265%0.64537%0.366SS*.Hα-helixtrans-73.6-37.8176.700000112.7S2 K3S2-A6 WeakPolarHBondContact O-CB 3.47Å; S2-A6 PolarHBondContact O-N 3.4Å; K3-A6 PolarHBondContact O-N 3.35Å
7D81.7Confident83.1Confident97 Ų9770.7 Ų70.752%0.51939%0.389SS..Hα-helixtrans-85.5-14.2-176-61.9-20.2000113K3 Y22 R26K3-D7 WeakPolarHBondContact O-CB 3.42Å; K3-D7 PolarHBondContact O-N 3.46Å; K3-D7 VanDerWaalsContact O-OD2 3.1Å; D7-Y22 WeakPolarHBondContact CB-OH 3.47Å; D7-R26 IonicContact OD2-CZ 2.62Å; D7-R26 IonicContact OD2-NH1 2.65Å; D7-R26 PolarHBondContact OD2-NH1 3.18Å; D7-R26 IonicContact OD2-NH2 2.72Å; D7-R26 PolarHBondContact OD2-NH2 3.47Å
8A84Confident83.7Confident12 Ų1271.3 Ų71.310%0.09939%0.387CS..SBendtrans-82.2139.3177.700000111.2I4 V12 I13 Y22I4-A8 WeakPolarHBondContact O-CB 3.43Å; I4-A8 PolarHBondContact O-N 3.4Å; A8-V12 HydrophobicContact CB-CG1 4.25Å; A8-I13 HydrophobicContact CB-CD1 4.09Å; A8-I13 HydrophobicContact CB-CG1 3.69Å; A8-Y22 HydrophobicContact CB-CD1 4.08Å; A8-Y22 HydrophobicContact CB-CE1 3.7Å
9S85.5Confident84.1Confident67 Ų6767.6 Ų67.647%0.46937%0.367SS..  trans-71.3155.1172.364.40000111.5D11 V12 I13S9-D11 VanDerWaalsContact C-N 3.28Å; S9-D11 PolarHBondContact O-N 3.47Å; S9-V12 WeakPolarHBondContact O-CA 3.03Å; S9-V12 WeakPolarHBondContact O-CB 3.04Å; S9-V12 PolarHBondContact O-N 2.94Å; S9-V12 VanDerWaalsContact OG-CG2 3.27Å; S9-V12 WeakPolarHBondContact OG-CG2 3.47Å; S9-I13 WeakPolarHBondContact O-CG1 3.4Å; S9-I13 PolarHBondContact O-N 3.38Å
10D84.1Confident84.4Confident97 Ų9767.3 Ų67.352%0.51936%0.363SS..Hα-helixtrans-57.5-38-179.5179.7-103.3000113V12 I13 K14D10-V12 VanDerWaalsContact C-N 3.32Å; D10-V12 PolarHBondContact O-N 3.24Å; D10-I13 PolarHBondContact O-N 3.46Å; D10-K14 WeakPolarHBondContact O-CB 3.3Å; D10-K14 WeakPolarHBondContact O-CG 3.43Å; D10-K14 PolarHBondContact O-N 2.89Å; D10-K14 WeakPolarHBondContact OD1-CD 3.45Å; D10-K14 WeakPolarHBondContact OD1-CE 3.36Å; D10-K14 IonicContact OD1-NZ 2.64Å; D10-K14 PolarHBondContact OD1-NZ 3.37Å; D10-K14 WeakPolarHBondContact OD2-CE 3.11Å; D10-K14 IonicContact OD2-NZ 3.29Å; D10-K14 PolarHBondContact OD2-NZ 3.09Å
11D86.8Confident84.8Confident93 Ų9370.5 Ų70.550%0.49737%0.374SS..Hα-helixtrans-63.1-36.4173.6171.4-102.5000112.6S9 D15 K18S9-D11 VanDerWaalsContact C-N 3.28Å; S9-D11 PolarHBondContact O-N 3.47Å; D11-D15 PolarHBondContact O-N 3.26Å; D11-K18 IonicContact OD1-NZ 3.18Å; D11-K18 PolarHBondContact OD1-NZ 2.81Å; D11-K18 IonicContact OD2-NZ 2.69Å; D11-K18 PolarHBondContact OD2-NZ 3.5Å
12V89Confident85.6Confident27 Ų2771.7 Ų71.716%0.16438%0.377CS..Hα-helixtrans-71-44.4175.4170.10000110.2A8 S9 D10 K14 D15 K18 L19 Y22A8-V12 HydrophobicContact CB-CG1 4.25Å; S9-V12 WeakPolarHBondContact O-CA 3.03Å; S9-V12 WeakPolarHBondContact O-CB 3.04Å; S9-V12 PolarHBondContact O-N 2.94Å; S9-V12 VanDerWaalsContact OG-CG2 3.27Å; S9-V12 WeakPolarHBondContact OG-CG2 3.47Å; D10-V12 VanDerWaalsContact C-N 3.32Å; D10-V12 PolarHBondContact O-N 3.24Å; V12-K14 VanDerWaalsContact C-N 3.34Å; V12-K14 PolarHBondContact O-N 3.08Å; V12-D15 PolarHBondContact O-N 3.11Å; V12-D15 VanDerWaalsContact O-O 3.08Å; V12-K18 HydrophobicContact CG1-CB 4.33Å; V12-K18 HydrophobicContact CG2-CB 4.47Å; V12-L19 HydrophobicContact CG1-CD1 4.35Å; V12-L19 WeakPolarHBondContact O-CB 3.5Å; V12-L19 PolarHBondContact O-N 2.91Å; V12-Y22 HydrophobicContact CG1-CD1 4.39Å; V12-Y22 HydrophobicContact CG1-CG 4.04Å
13I86.3Confident86.4Confident32 Ų3268.2 Ų68.216%0.16435%0.353CS..Hα-helixtrans-62.4-42.3-178.5-66.8172.1000111.1A5 A8 S9 D10 D15 L59 G60A5-I13 WeakPolarHBondContact O-CD1 3.2Å; A8-I13 HydrophobicContact CB-CD1 4.09Å; A8-I13 HydrophobicContact CB-CG1 3.69Å; S9-I13 WeakPolarHBondContact O-CG1 3.4Å; S9-I13 PolarHBondContact O-N 3.38Å; D10-I13 PolarHBondContact O-N 3.46Å; I13-D15 VanDerWaalsContact C-N 3.34Å; I13-D15 PolarHBondContact O-N 3.1Å; I13-L59 WeakPolarHBondContact CG2-O 3.47Å; I13-G60 WeakPolarHBondContact O-CA 3.44Å
14K85.5Confident87.1Confident122 Ų12265 Ų6553%0.5334%0.339SS..Hα-helixtrans-72.6-22.4-176.1-74.3173.9176.4167.20114.4D10 V12 P16D10-K14 WeakPolarHBondContact O-CB 3.3Å; D10-K14 WeakPolarHBondContact O-CG 3.43Å; D10-K14 PolarHBondContact O-N 2.89Å; D10-K14 WeakPolarHBondContact OD1-CD 3.45Å; D10-K14 WeakPolarHBondContact OD1-CE 3.36Å; D10-K14 IonicContact OD1-NZ 2.64Å; D10-K14 PolarHBondContact OD1-NZ 3.37Å; D10-K14 WeakPolarHBondContact OD2-CE 3.11Å; D10-K14 IonicContact OD2-NZ 3.29Å; D10-K14 PolarHBondContact OD2-NZ 3.09Å; V12-K14 VanDerWaalsContact C-N 3.34Å; V12-K14 PolarHBondContact O-N 3.08Å; K14-P16 WeakPolarHBondContact O-CD 3.41Å
15D89.9Confident87.7Confident56 Ų5669.2 Ų69.230%0.29936%0.361SS..  trans-101.3111.3177.9-175.3-40.7000110.4D11 V12 I13 K17 K18 L19D11-D15 PolarHBondContact O-N 3.26Å; V12-D15 PolarHBondContact O-N 3.11Å; V12-D15 VanDerWaalsContact O-O 3.08Å; I13-D15 VanDerWaalsContact C-N 3.34Å; I13-D15 PolarHBondContact O-N 3.1Å; D15-K17 PolarHBondContact O-N 2.71Å; D15-K17 VanDerWaalsContact O-N 3.13Å; D15-K17 WeakPolarHBondContact OD1-CA 3.39Å; D15-K17 WeakPolarHBondContact OD1-CB 3.49Å; D15-K17 PolarHBondContact OD1-N 2.74Å; D15-K18 HydrophobicContact CB-CB 3.96Å; D15-K18 HydrophobicContact CB-CD 3.83Å; D15-K18 HydrophobicContact CB-CG 3.83Å; D15-K18 PolarHBondContact O-N 2.72Å; D15-K18 VanDerWaalsContact O-N 3.11Å; D15-K18 PolarHBondContact OD1-N 2.62Å; D15-L19 PolarHBondContact O-N 3.27Å
16P89.1Confident88.2Confident64 Ų6471.7 Ų71.742%0.41637%0.365SS..Hα-helixtrans-54.1-36.1-178.9-29.936.9000114.3K14 E20 V56K14-P16 WeakPolarHBondContact O-CD 3.41Å; P16-E20 VanDerWaalsContact O-CB 3.24Å; P16-E20 WeakPolarHBondContact O-CB 3.37Å; P16-E20 PolarHBondContact O-N 3.1Å; P16-V56 HydrophobicContact CB-CG1 3.52Å; P16-V56 HydrophobicContact CG-CG1 4.49Å; P16-V56 WeakPolarHBondContact O-CG1 3.2Å
17K90Very high88.6Confident175 Ų17568 Ų6876%0.76134%0.335SS*.Hα-helixtrans-74.1-40.2-178.5-64.6-178.7178.5179.40111D15 K21D15-K17 PolarHBondContact O-N 2.71Å; D15-K17 VanDerWaalsContact O-N 3.13Å; D15-K17 WeakPolarHBondContact OD1-CA 3.39Å; D15-K17 WeakPolarHBondContact OD1-CB 3.49Å; D15-K17 PolarHBondContact OD1-N 2.74Å; K17-K21 WeakPolarHBondContact O-CB 3.41Å; K17-K21 PolarHBondContact O-N 3.02Å
18K92.7Very high88.8Confident82 Ų8267.9 Ų67.936%0.35734%0.341SS..Hα-helixtrans-65.9-45.2175.8-65-177.5-172.1171.90110.8D11 V12 D15 K21 Y22D11-K18 IonicContact OD1-NZ 3.18Å; D11-K18 PolarHBondContact OD1-NZ 2.81Å; D11-K18 IonicContact OD2-NZ 2.69Å; D11-K18 PolarHBondContact OD2-NZ 3.5Å; V12-K18 HydrophobicContact CG1-CB 4.33Å; V12-K18 HydrophobicContact CG2-CB 4.47Å; D15-K18 HydrophobicContact CB-CB 3.96Å; D15-K18 HydrophobicContact CB-CD 3.83Å; D15-K18 HydrophobicContact CB-CG 3.83Å; D15-K18 PolarHBondContact O-N 2.72Å; D15-K18 VanDerWaalsContact O-N 3.11Å; D15-K18 PolarHBondContact OD1-N 2.62Å; K18-K21 PolarHBondContact O-N 3.12Å; K18-Y22 WeakPolarHBondContact O-CB 3.48Å; K18-Y22 PolarHBondContact O-N 2.98Å
19L91Very high88.6Confident1 Ų172.2 Ų72.21%0.00537%0.371CS..Hα-helixtrans-63-44.6177.9-176.457.2000111.7V12 D15 K21 Y22 I23 V56 L59V12-L19 HydrophobicContact CG1-CD1 4.35Å; V12-L19 WeakPolarHBondContact O-CB 3.5Å; V12-L19 PolarHBondContact O-N 2.91Å; D15-L19 PolarHBondContact O-N 3.27Å; L19-K21 VanDerWaalsContact C-N 3.34Å; L19-K21 PolarHBondContact O-N 3.15Å; L19-Y22 HydrophobicContact CD1-CD1 4.27Å; L19-Y22 PolarHBondContact O-N 3.33Å; L19-I23 HydrophobicContact CD1-CD1 3.9Å; L19-I23 HydrophobicContact CD1-CG1 4.14Å; L19-I23 HydrophobicContact CG-CD1 3.86Å; L19-I23 HydrophobicContact CG-CG1 4.48Å; L19-I23 VanDerWaalsContact O-CG1 3.26Å; L19-I23 WeakPolarHBondContact O-CG1 3.47Å; L19-I23 PolarHBondContact O-N 3.14Å; L19-V56 HydrophobicContact CB-CG1 4.29Å; L19-V56 HydrophobicContact CD2-CG1 4.26Å; L19-V56 HydrophobicContact CG-CG2 4.45Å; L19-L59 HydrophobicContact CD2-CB 3.68Å; L19-L59 HydrophobicContact CD2-CD1 4.14Å
20E91.6Very high88.4Confident60 Ų6070.3 Ų70.328%0.2836%0.357SS..Hα-helixtrans-57.5-48.9176.4-176.6179.4126.500111.3P16 I23 K24 M52 V56P16-E20 VanDerWaalsContact O-CB 3.24Å; P16-E20 WeakPolarHBondContact O-CB 3.37Å; P16-E20 PolarHBondContact O-N 3.1Å; E20-I23 PolarHBondContact O-N 3.5Å; E20-K24 HydrophobicContact CG-CD 4.15Å; E20-K24 WeakPolarHBondContact O-CG 3.46Å; E20-K24 PolarHBondContact O-N 3.38Å; E20-K24 IonicContact OE1-NZ 3.66Å; E20-K24 PolarHBondContact OE1-NZ 3.46Å; E20-M52 HydrophobicContact CB-CE 4.27Å; E20-M52 HydrophobicContact CG-CE 3.93Å; E20-M52 HydrophobicContact CG-CG 3.87Å; E20-V56 HydrophobicContact CB-CG2 4.03Å
21K92Very high88.1Confident136 Ų13668.4 Ų68.459%0.59136%0.359SS*.Hα-helixtrans-60.2-47.6177.5-175-179.5177.2-175.60111.5K17 K18 L19 I23 K24 D25K17-K21 WeakPolarHBondContact O-CB 3.41Å; K17-K21 PolarHBondContact O-N 3.02Å; K18-K21 PolarHBondContact O-N 3.12Å; L19-K21 VanDerWaalsContact C-N 3.34Å; L19-K21 PolarHBondContact O-N 3.15Å; K21-I23 VanDerWaalsContact C-N 3.31Å; K21-I23 PolarHBondContact O-N 3.34Å; K21-K24 PolarHBondContact O-N 3.31Å; K21-D25 WeakPolarHBondContact O-CB 3.38Å; K21-D25 VanDerWaalsContact O-CG 3.24Å; K21-D25 PolarHBondContact O-N 3.37Å
22Y91.7Very high87.9Confident58 Ų5866.7 Ų66.723%0.22736%0.364CS..Hα-helixtrans-56.4-44.2178.7170.7-102.4000112.5I4 D7 A8 V12 K18 L19 R26I4-Y22 HydrophobicContact CG2-CD1 4.34Å; I4-Y22 HydrophobicContact CG2-CE1 3.94Å; D7-Y22 WeakPolarHBondContact CB-OH 3.47Å; A8-Y22 HydrophobicContact CB-CD1 4.08Å; A8-Y22 HydrophobicContact CB-CE1 3.7Å; V12-Y22 HydrophobicContact CG1-CD1 4.39Å; V12-Y22 HydrophobicContact CG1-CG 4.04Å; K18-Y22 WeakPolarHBondContact O-CB 3.48Å; K18-Y22 PolarHBondContact O-N 2.98Å; L19-Y22 HydrophobicContact CD1-CD1 4.27Å; L19-Y22 PolarHBondContact O-N 3.33Å; Y22-R26 WeakPolarHBondContact O-CB 3.5Å; Y22-R26 PolarHBondContact O-N 3.01Å; Y22-R26 PolarHBondContact OH-NH1 3.1Å; Y22-R26 VanDerWaalsContact OH-NH1 3.09Å
23I91.3Very high87.5Confident0 Ų068.9 Ų68.90%037%0.371CS..Hα-helixtrans-67.4-44.7178.7-64.4168.8000110.8I4 L19 E20 K21 R26 C27 I41 A43 M52 V55 V56I4-I23 HydrophobicContact CD1-CG2 4.39Å; I4-I23 HydrophobicContact CG2-CD1 4.09Å; I4-I23 HydrophobicContact CG2-CG1 3.62Å; L19-I23 HydrophobicContact CD1-CD1 3.9Å; L19-I23 HydrophobicContact CD1-CG1 4.14Å; L19-I23 HydrophobicContact CG-CD1 3.86Å; L19-I23 HydrophobicContact CG-CG1 4.48Å; L19-I23 VanDerWaalsContact O-CG1 3.26Å; L19-I23 WeakPolarHBondContact O-CG1 3.47Å; L19-I23 PolarHBondContact O-N 3.14Å; E20-I23 PolarHBondContact O-N 3.5Å; K21-I23 VanDerWaalsContact C-N 3.31Å; K21-I23 PolarHBondContact O-N 3.34Å; I23-R26 PolarHBondContact O-N 3.41Å; I23-C27 WeakPolarHBondContact O-CB 3.25Å; I23-C27 PolarHBondContact O-N 2.88Å; I23-C27 PolarHBondContact O-SG 2.84Å; I23-C27 VanDerWaalsContact O-SG 3.4Å; I23-I41 HydrophobicContact CG2-CD1 3.78Å; I23-A43 HydrophobicContact CG2-CB 3.7Å; I23-M52 HydrophobicContact CB-CE 3.52Å; I23-M52 HydrophobicContact CD1-CE 3.58Å; I23-M52 HydrophobicContact CG1-CE 4.1Å; I23-M52 HydrophobicContact CG2-CE 3.64Å; I23-V55 HydrophobicContact CD1-CG1 4.31Å; I23-V56 HydrophobicContact CD1-CG2 4.4Å
24K91.5Very high87.4Confident81 Ų8170.4 Ų70.435%0.35238%0.378SS..Hα-helixtrans-59.9-46177.1-75.9177.4171.9172.50111.8E20 K21 R26 C27 S28E20-K24 HydrophobicContact CG-CD 4.15Å; E20-K24 WeakPolarHBondContact O-CG 3.46Å; E20-K24 PolarHBondContact O-N 3.38Å; E20-K24 IonicContact OE1-NZ 3.66Å; E20-K24 PolarHBondContact OE1-NZ 3.46Å; K21-K24 PolarHBondContact O-N 3.31Å; K24-R26 VanDerWaalsContact C-N 3.33Å; K24-R26 PolarHBondContact O-N 2.96Å; K24-C27 PolarHBondContact O-N 2.72Å; K24-C27 VanDerWaalsContact O-N 3.16Å; K24-S28 PolarHBondContact O-N 2.65Å
25D90.4Very high87.5Confident91 Ų9167.8 Ų67.849%0.48737%0.367SS..Hα-helixtrans-59.8-45.6178-70.2-12.5000110.3K21 C27 S28K21-D25 WeakPolarHBondContact O-CB 3.38Å; K21-D25 VanDerWaalsContact O-CG 3.24Å; K21-D25 PolarHBondContact O-N 3.37Å; D25-C27 VanDerWaalsContact C-N 3.33Å; D25-C27 PolarHBondContact O-N 3.21Å; D25-S28 PolarHBondContact O-N 3.29Å; D25-S28 PolarHBondContact O-OG 2.97Å
26R87.4Confident87.3Confident77 Ų7772.1 Ų72.129%0.29138%0.379SS..Hα-helixtrans-63.3-36.7176.4-172.4168.9-174.5153.92.3113.1D7 Y22 I23 K24 T30D7-R26 IonicContact OD2-CZ 2.62Å; D7-R26 IonicContact OD2-NH1 2.65Å; D7-R26 PolarHBondContact OD2-NH1 3.18Å; D7-R26 IonicContact OD2-NH2 2.72Å; D7-R26 PolarHBondContact OD2-NH2 3.47Å; Y22-R26 WeakPolarHBondContact O-CB 3.5Å; Y22-R26 PolarHBondContact O-N 3.01Å; Y22-R26 PolarHBondContact OH-NH1 3.1Å; Y22-R26 VanDerWaalsContact OH-NH1 3.09Å; I23-R26 PolarHBondContact O-N 3.41Å; K24-R26 VanDerWaalsContact C-N 3.33Å; K24-R26 PolarHBondContact O-N 2.96Å; R26-T30 VanDerWaalsContact O-CG2 3.25Å; R26-T30 WeakPolarHBondContact O-CG2 3.49Å
27C89.9Confident87.3Confident1 Ų169.6 Ų69.61%0.00736%0.362CS..Hα-helixtrans-76.9-26-179.3-80.30000113.7I23 K24 D25 S29 T30 C38 A43 L44I23-C27 WeakPolarHBondContact O-CB 3.25Å; I23-C27 PolarHBondContact O-N 2.88Å; I23-C27 PolarHBondContact O-SG 2.84Å; I23-C27 VanDerWaalsContact O-SG 3.4Å; K24-C27 PolarHBondContact O-N 2.72Å; K24-C27 VanDerWaalsContact O-N 3.16Å; D25-C27 VanDerWaalsContact C-N 3.33Å; D25-C27 PolarHBondContact O-N 3.21Å; C27-S29 PolarHBondContact O-N 3.09Å; C27-T30 PolarHBondContact O-N 3.42Å; C27-T30 VanDerWaalsContact O-N 3.12Å; C27-T30 PolarHBondContact O-OG1 3.36Å; C27-C38 WeakPolarHBondContact CA-SG 3.46Å; C27-C38 HydrophobicContact CB-CB 3.5Å; C27-C38 VanDerWaalsContact CB-CB 3.5Å; C27-C38 WeakPolarHBondContact CB-SG 3.47Å; C27-C38 WeakPolarHBondContact SG-CB 3.31Å; C27-C38 CovalentContact SG-SG 2.03Å; C27-C38 PolarHBondContact SG-SG 3.19Å; C27-A43 HydrophobicContact CB-CB 3.96Å; C27-A43 WeakPolarHBondContact SG-CB 3.31Å; C27-L44 HydrophobicContact CB-CD2 4.11Å
28S85.5Confident87.3Confident93 Ų9361.3 Ų61.365%0.6533%0.326SS*.Hα-helixtrans-60.2-29.6-176.371.20000114.2K24 D25K24-S28 PolarHBondContact O-N 2.65Å; D25-S28 PolarHBondContact O-N 3.29Å; D25-S28 PolarHBondContact O-OG 2.97Å
29S80.2Confident87.2Confident104 Ų10462.4 Ų62.473%0.72733%0.328SS*.THydrogen-bonded Turntrans-101.512.1-179.6670000113.6C27C27-S29 PolarHBondContact O-N 3.09Å
30T80.3Confident87.1Confident27 Ų2764.1 Ų64.117%0.16634%0.335CS..  trans-92.1141.3-175.3640000111.9R26 C27 E34 H35R26-T30 VanDerWaalsContact O-CG2 3.25Å; R26-T30 WeakPolarHBondContact O-CG2 3.49Å; C27-T30 PolarHBondContact O-N 3.42Å; C27-T30 VanDerWaalsContact O-N 3.12Å; C27-T30 PolarHBondContact O-OG1 3.36Å; T30-E34 HydrophobicContact CG2-CB 4.24Å; T30-E34 HydrophobicContact CG2-CG 3.54Å; T30-H35 PolarHBondContact O-ND1 3.39Å; T30-H35 WeakPolarHBondContact OG1-CA 3.37Å
31G78.7Confident87Confident56 Ų5661.2 Ų61.258%0.57732%0.322SS*.  trans-114.9173171.400000112.2K33 E34 H35G31-K33 PolarHBondContact O-N 2.88Å; G31-E34 PolarHBondContact O-N 3.06Å; G31-H35 PolarHBondContact O-N 3.4Å
32G81.6Confident86.9Confident57 Ų5754.9 Ų54.959%0.58829%0.294SS*.Hα-helixtrans60.4-128.316900000114.4R36G32-R36 PolarHBondContact O-N 3.08Å
33K81.8Confident86.9Confident74 Ų7452.2 Ų52.232%0.32229%0.285SS..Hα-helixtrans-71.5-34.9-176-66.4-179.5-178.6-179.60113G31 H35 R36 F37 R83 Y84 D85G31-K33 PolarHBondContact O-N 2.88Å; K33-H35 VanDerWaalsContact C-N 3.32Å; K33-R36 PolarHBondContact O-N 3.32Å; K33-F37 PolarHBondContact O-N 2.84Å; K33-R83 WeakPolarHBondContact CD-O 3.39Å; K33-R83 WeakPolarHBondContact CE-O 3.35Å; K33-R83 PolarHBondContact NZ-O 3.42Å; K33-Y84 HydrophobicContact CB-CD1 4.14Å; K33-Y84 HydrophobicContact CB-CE1 3.74Å; K33-Y84 HydrophobicContact CD-CD1 4.42Å; K33-D85 IonicContact NZ-OD2 2.91Å; K33-D85 PolarHBondContact NZ-OD2 3Å
34E83.7Confident86.9Confident64 Ų6452.9 Ų52.930%0.29929%0.288SS..Hα-helixtrans-66.3-39.6177.9-169.567.6-163.200110.2T30 G31 R36 F37 C38 Y84T30-E34 HydrophobicContact CG2-CB 4.24Å; T30-E34 HydrophobicContact CG2-CG 3.54Å; G31-E34 PolarHBondContact O-N 3.06Å; E34-R36 VanDerWaalsContact C-N 3.34Å; E34-R36 PolarHBondContact O-N 2.62Å; E34-F37 WeakPolarHBondContact O-CB 3.21Å; E34-F37 PolarHBondContact O-N 3.38Å; E34-F37 VanDerWaalsContact O-N 3.11Å; E34-C38 WeakPolarHBondContact O-CB 3.47Å; E34-C38 PolarHBondContact O-N 2.8Å; E34-C38 PolarHBondContact O-SG 3.5Å; E34-C38 VanDerWaalsContact O-SG 3.32Å; E34-Y84 PolarHBondContact OE2-OH 3.16Å
35H86.9Confident86.7Confident66 Ų6655.2 Ų55.231%0.30631%0.311SS..Hα-helixtrans-58.7-44172.7-172.488.6000112.1T30 G31 K33 F37 C38 Y39 L44 E46T30-H35 PolarHBondContact O-ND1 3.39Å; T30-H35 WeakPolarHBondContact OG1-CA 3.37Å; G31-H35 PolarHBondContact O-N 3.4Å; K33-H35 VanDerWaalsContact C-N 3.32Å; H35-F37 VanDerWaalsContact C-N 3.32Å; H35-F37 PolarHBondContact O-N 3.48Å; H35-C38 WeakPolarHBondContact O-CB 3.48Å; H35-C38 PolarHBondContact O-N 2.89Å; H35-Y39 PolarHBondContact O-N 2.89Å; H35-L44 WeakPolarHBondContact CE1-CD1 3.45Å; H35-L44 WeakPolarHBondContact NE2-CD1 3.39Å; H35-L44 WeakPolarHBondContact O-CD1 3.46Å; H35-E46 IonicContact NE2-OE1 2.65Å
36R86.5Confident86.5Confident147 Ų14756 Ų5656%0.55531%0.312SS*.Hα-helixtrans-64.3-36.6174.6-65.4-175.3-158.41714112.6G32 K33 E34 Y39 Y40 L82G32-R36 PolarHBondContact O-N 3.08Å; K33-R36 PolarHBondContact O-N 3.32Å; E34-R36 VanDerWaalsContact C-N 3.34Å; E34-R36 PolarHBondContact O-N 2.62Å; R36-Y39 WeakPolarHBondContact O-CB 3.29Å; R36-Y39 PolarHBondContact O-N 3.26Å; R36-Y40 HydrophobicContact CB-CE2 4.42Å; R36-Y40 WeakPolarHBondContact O-CD2 3.43Å; R36-Y40 PolarHBondContact O-N 2.71Å; R36-L82 HydrophobicContact CB-CD2 3.91Å
37F89Confident86.5Confident12 Ų1252.8 Ų52.85%0.05330%0.301CS..Hα-helixtrans-63.7-48.1173.9173.4-102.5000111.4M1 I4 K33 E34 H35 Y39 Y40 I41 I79 L82 Y84M1-F37 HydrophobicContact CB-CZ 3.98Å; M1-F37 HydrophobicContact CG-CZ 4Å; M1-F37 HydrophobicContact SD-CZ 4.2Å; I4-F37 HydrophobicContact CD1-CE1 4.15Å; K33-F37 PolarHBondContact O-N 2.84Å; E34-F37 WeakPolarHBondContact O-CB 3.21Å; E34-F37 PolarHBondContact O-N 3.38Å; E34-F37 VanDerWaalsContact O-N 3.11Å; H35-F37 VanDerWaalsContact C-N 3.32Å; H35-F37 PolarHBondContact O-N 3.48Å; F37-Y39 PolarHBondContact O-N 3.21Å; F37-Y40 PolarHBondContact O-N 3.12Å; F37-Y40 VanDerWaalsContact O-N 3.09Å; F37-I41 HydrophobicContact CD1-CD1 4.36Å; F37-I41 HydrophobicContact CD2-CG2 4.19Å; F37-I41 HydrophobicContact CE1-CD1 3.81Å; F37-I41 HydrophobicContact CE1-CG1 4.47Å; F37-I41 HydrophobicContact CE1-CG2 4.1Å; F37-I41 HydrophobicContact CE2-CG2 3.67Å; F37-I41 HydrophobicContact CZ-CD1 4.27Å; F37-I41 HydrophobicContact CZ-CG2 3.59Å; F37-I41 WeakPolarHBondContact O-CG1 3.47Å; F37-I41 PolarHBondContact O-N 2.81Å; F37-I79 HydrophobicContact CD2-CD1 4.34Å; F37-I79 HydrophobicContact CD2-CG1 4.18Å; F37-I79 HydrophobicContact CE2-CD1 3.98Å; F37-I79 HydrophobicContact CE2-CG1 4.25Å; F37-L82 HydrophobicContact CB-CD1 3.65Å; F37-L82 HydrophobicContact CD2-CD1 4.24Å; F37-L82 HydrophobicContact CG-CD1 4.47Å; F37-Y84 WeakPolarHBondContact CB-OH 3.43Å
38C90.4Very high86.4Confident0 Ų055.5 Ų55.50%032%0.324CS..Hα-helixtrans-54.3-41.5173.1-72.70000112C27 E34 H35 I41 G42 A43 L44C27-C38 WeakPolarHBondContact CA-SG 3.46Å; C27-C38 HydrophobicContact CB-CB 3.5Å; C27-C38 VanDerWaalsContact CB-CB 3.5Å; C27-C38 WeakPolarHBondContact CB-SG 3.47Å; C27-C38 WeakPolarHBondContact SG-CB 3.31Å; C27-C38 CovalentContact SG-SG 2.03Å; C27-C38 PolarHBondContact SG-SG 3.19Å; E34-C38 WeakPolarHBondContact O-CB 3.47Å; E34-C38 PolarHBondContact O-N 2.8Å; E34-C38 PolarHBondContact O-SG 3.5Å; E34-C38 VanDerWaalsContact O-SG 3.32Å; H35-C38 WeakPolarHBondContact O-CB 3.48Å; H35-C38 PolarHBondContact O-N 2.89Å; C38-I41 WeakPolarHBondContact O-CG1 3.44Å; C38-I41 PolarHBondContact O-N 3.29Å; C38-G42 PolarHBondContact O-N 3.32Å; C38-A43 HydrophobicContact CB-CB 4.32Å; C38-A43 WeakPolarHBondContact O-CB 3.43Å; C38-A43 PolarHBondContact O-N 3.36Å; C38-L44 HydrophobicContact CB-CD1 4.2Å; C38-L44 HydrophobicContact CB-CD2 4.12Å; C38-L44 HydrophobicContact CB-CG 3.92Å
39Y89.3Confident86.1Confident106 Ų10655.5 Ų55.542%0.41632%0.324SS..Hα-helixtrans-57.6-52.3173.3177.2-102000111.7H35 R36 F37 I41 G42 E46 S47H35-Y39 PolarHBondContact O-N 2.89Å; R36-Y39 WeakPolarHBondContact O-CB 3.29Å; R36-Y39 PolarHBondContact O-N 3.26Å; F37-Y39 PolarHBondContact O-N 3.21Å; Y39-I41 PolarHBondContact O-N 2.72Å; Y39-G42 PolarHBondContact O-N 2.85Å; Y39-E46 HydrophobicContact CD2-CG 3.78Å; Y39-E46 HydrophobicContact CE2-CG 3.9Å; Y39-S47 VanDerWaalsContact CA-OG 3.29Å; Y39-S47 WeakPolarHBondContact CA-OG 3.49Å; Y39-S47 WeakPolarHBondContact O-CB 3.41Å; Y39-S47 PolarHBondContact O-OG 3.34Å
40Y88.7Confident86.3Confident36 Ų3657.5 Ų57.514%0.14132%0.317CS..Hα-helixtrans-66.1-33.4-177.9-64.3-42.7000113.6R36 F37 G42 I51 Q78 L82R36-Y40 HydrophobicContact CB-CE2 4.42Å; R36-Y40 WeakPolarHBondContact O-CD2 3.43Å; R36-Y40 PolarHBondContact O-N 2.71Å; F37-Y40 PolarHBondContact O-N 3.12Å; F37-Y40 VanDerWaalsContact O-N 3.09Å; Y40-G42 VanDerWaalsContact C-N 3.26Å; Y40-G42 PolarHBondContact O-N 3.33Å; Y40-I51 WeakPolarHBondContact O-CD1 3.37Å; Y40-I51 VanDerWaalsContact O-CG2 3.23Å; Y40-I51 WeakPolarHBondContact O-CG2 3.48Å; Y40-Q78 HydrophobicContact CE1-CB 4.07Å; Y40-Q78 HydrophobicContact CE2-CB 4.34Å; Y40-L82 HydrophobicContact CD2-CD1 3.57Å; Y40-L82 HydrophobicContact CD2-CG 4.07Å; Y40-L82 HydrophobicContact CE2-CD1 3.73Å; Y40-L82 HydrophobicContact CE2-CD2 3.95Å; Y40-L82 HydrophobicContact CE2-CG 3.74Å
41I89.6Confident86.6Confident0 Ų058.1 Ų58.10%032%0.318CS..THydrogen-bonded Turntrans-820.5179.866165000114.1I4 I23 F37 C38 Y39 A43 M52 V55 L72 I79I4-I41 HydrophobicContact CD1-CD1 4.4Å; I23-I41 HydrophobicContact CG2-CD1 3.78Å; F37-I41 HydrophobicContact CD1-CD1 4.36Å; F37-I41 HydrophobicContact CD2-CG2 4.19Å; F37-I41 HydrophobicContact CE1-CD1 3.81Å; F37-I41 HydrophobicContact CE1-CG1 4.47Å; F37-I41 HydrophobicContact CE1-CG2 4.1Å; F37-I41 HydrophobicContact CE2-CG2 3.67Å; F37-I41 HydrophobicContact CZ-CD1 4.27Å; F37-I41 HydrophobicContact CZ-CG2 3.59Å; F37-I41 WeakPolarHBondContact O-CG1 3.47Å; F37-I41 PolarHBondContact O-N 2.81Å; C38-I41 WeakPolarHBondContact O-CG1 3.44Å; C38-I41 PolarHBondContact O-N 3.29Å; Y39-I41 PolarHBondContact O-N 2.72Å; I41-A43 HydrophobicContact CD1-CB 3.94Å; I41-A43 HydrophobicContact CG1-CB 3.8Å; I41-M52 WeakPolarHBondContact O-CA 3.29Å; I41-M52 PolarHBondContact O-N 3.03Å; I41-V55 HydrophobicContact CB-CG2 4.06Å; I41-V55 HydrophobicContact CG2-CG2 4.47Å; I41-L72 HydrophobicContact CG2-CD1 4.12Å; I41-I79 HydrophobicContact CG2-CD1 3.86Å
42G90.3Very high87.2Confident2 Ų255.6 Ų55.62%0.02129%0.291CS..THydrogen-bonded Turntrans87.413.7-179.600000115.1C38 Y39 Y40 S47C38-G42 PolarHBondContact O-N 3.32Å; Y39-G42 PolarHBondContact O-N 2.85Å; Y40-G42 VanDerWaalsContact C-N 3.26Å; Y40-G42 PolarHBondContact O-N 3.33Å; G42-S47 VanDerWaalsContact CA-CB 3.48Å
43A91.9Very high87.6Confident3 Ų355.4 Ų55.43%0.02528%0.277CS..  trans-95.10.5-169.300000114.9I23 C27 C38 I41 M52I23-A43 HydrophobicContact CG2-CB 3.7Å; C27-A43 HydrophobicContact CB-CB 3.96Å; C27-A43 WeakPolarHBondContact SG-CB 3.31Å; C38-A43 HydrophobicContact CB-CB 4.32Å; C38-A43 WeakPolarHBondContact O-CB 3.43Å; C38-A43 PolarHBondContact O-N 3.36Å; I41-A43 HydrophobicContact CD1-CB 3.94Å; I41-A43 HydrophobicContact CG1-CB 3.8Å; A43-M52 HydrophobicContact CB-SD 4.25Å
44L91.1Very high87.9Confident14 Ų1454.2 Ų54.27%0.07327%0.273CS..SBendtrans-111156.3175.9-60.4176000111.5C27 H35 C38 E46 S47C27-L44 HydrophobicContact CB-CD2 4.11Å; H35-L44 WeakPolarHBondContact CE1-CD1 3.45Å; H35-L44 WeakPolarHBondContact NE2-CD1 3.39Å; H35-L44 WeakPolarHBondContact O-CD1 3.46Å; C38-L44 HydrophobicContact CB-CD1 4.2Å; C38-L44 HydrophobicContact CB-CD2 4.12Å; C38-L44 HydrophobicContact CB-CG 3.92Å; L44-E46 HydrophobicContact CB-CG 4.29Å; L44-E46 WeakPolarHBondContact CB-OE2 3.49Å; L44-E46 PolarHBondContact O-N 3.41Å; L44-S47 PolarHBondContact N-OG 3.3Å; L44-S47 VanDerWaalsContact O-CB 3.26Å; L44-S47 WeakPolarHBondContact O-CB 3.5Å; L44-S47 PolarHBondContact O-N 3.25Å; L44-S47 PolarHBondContact O-OG 3.44Å
45P87Confident88.2Confident129 Ų12951.2 Ų51.284%0.83826%0.259SS*.THydrogen-bonded Turntrans-55.8-34.4177.9-26.435.1000114.4S47P45-S47 VanDerWaalsContact C-N 3.31Å
46E87Confident88.4Confident109 Ų10948.2 Ų48.251%0.50925%0.245SC..THydrogen-bonded Turntrans-81.2-6.9177.863.7-94.6-139.500113.9H35 Y39 L44H35-E46 IonicContact NE2-OE1 2.65Å; Y39-E46 HydrophobicContact CD2-CG 3.78Å; Y39-E46 HydrophobicContact CE2-CG 3.9Å; L44-E46 HydrophobicContact CB-CG 4.29Å; L44-E46 WeakPolarHBondContact CB-OE2 3.49Å; L44-E46 PolarHBondContact O-N 3.41Å
47S88.3Confident88.6Confident8 Ų847.4 Ų47.46%0.05624%0.242CC..SBendtrans-79.2155.3-177.9-59.80000113.1Y39 G42 L44 P45 S49Y39-S47 VanDerWaalsContact CA-OG 3.29Å; Y39-S47 WeakPolarHBondContact CA-OG 3.49Å; Y39-S47 WeakPolarHBondContact O-CB 3.41Å; Y39-S47 PolarHBondContact O-OG 3.34Å; G42-S47 VanDerWaalsContact CA-CB 3.48Å; L44-S47 PolarHBondContact N-OG 3.3Å; L44-S47 VanDerWaalsContact O-CB 3.26Å; L44-S47 WeakPolarHBondContact O-CB 3.5Å; L44-S47 PolarHBondContact O-N 3.25Å; L44-S47 PolarHBondContact O-OG 3.44Å; P45-S47 VanDerWaalsContact C-N 3.31Å; S47-S49 PolarHBondContact O-N 3.11Å
48A86.2Confident88.6Confident58 Ų5847.2 Ų47.248%0.47924%0.242SC..  trans-65.2107.6169.100000110.7Y50 I51A48-Y50 PolarHBondContact O-N 3.32Å; A48-I51 HydrophobicContact CB-CD1 4.06Å; A48-I51 HydrophobicContact CB-CG1 4.17Å; A48-I51 PolarHBondContact O-N 2.83Å
49S79.2Confident88.6Confident93 Ų9347.6 Ų47.665%0.6524%0.244SC*.Hα-helixtrans-59.2-25.2-174.2-36.10000113.4S47 I51 M52S47-S49 PolarHBondContact O-N 3.11Å; S49-I51 VanDerWaalsContact C-N 3.3Å; S49-I51 PolarHBondContact O-N 3.44Å; S49-M52 WeakPolarHBondContact O-CB 3.43Å; S49-M52 PolarHBondContact O-N 3.47Å
50Y84.6Confident88.4Confident147 Ų14743.3 Ų43.358%0.57623%0.231SC*.Hα-helixtrans-63-34177177.2-104000112.9A48 M52 N53 E54 K75A48-Y50 PolarHBondContact O-N 3.32Å; Y50-M52 PolarHBondContact O-N 3.05Å; Y50-N53 PolarHBondContact O-N 3.09Å; Y50-E54 HydrophobicContact CE1-CG 4.34Å; Y50-K75 PolarHBondContact OH-NZ 2.99Å
51I88.1Confident88.4Confident40 Ų4050.9 Ų50.921%0.20526%0.26CS..Hα-helixtrans-65.5-32.9-179.6-55.4175.6000110.8Y40 A48 S49 N53 E54 V55 L72Y40-I51 WeakPolarHBondContact O-CD1 3.37Å; Y40-I51 VanDerWaalsContact O-CG2 3.23Å; Y40-I51 WeakPolarHBondContact O-CG2 3.48Å; A48-I51 HydrophobicContact CB-CD1 4.06Å; A48-I51 HydrophobicContact CB-CG1 4.17Å; A48-I51 PolarHBondContact O-N 2.83Å; S49-I51 VanDerWaalsContact C-N 3.3Å; S49-I51 PolarHBondContact O-N 3.44Å; I51-N53 VanDerWaalsContact C-N 3.26Å; I51-N53 PolarHBondContact O-N 3.28Å; I51-E54 WeakPolarHBondContact O-CA 3.22Å; I51-E54 VanDerWaalsContact O-CB 3.31Å; I51-E54 WeakPolarHBondContact O-CB 3.14Å; I51-E54 PolarHBondContact O-N 2.9Å; I51-V55 PolarHBondContact O-N 2.94Å; I51-L72 HydrophobicContact CG2-CD2 3.77Å
52M89.9Confident88.1Confident2 Ų255.4 Ų55.41%0.0129%0.291CS..Hα-helixtrans-59.9-37179.1-164.259.6-170.600112.5E20 I23 I41 A43 S49 Y50 E54 V55 V56E20-M52 HydrophobicContact CB-CE 4.27Å; E20-M52 HydrophobicContact CG-CE 3.93Å; E20-M52 HydrophobicContact CG-CG 3.87Å; I23-M52 HydrophobicContact CB-CE 3.52Å; I23-M52 HydrophobicContact CD1-CE 3.58Å; I23-M52 HydrophobicContact CG1-CE 4.1Å; I23-M52 HydrophobicContact CG2-CE 3.64Å; I41-M52 WeakPolarHBondContact O-CA 3.29Å; I41-M52 PolarHBondContact O-N 3.03Å; A43-M52 HydrophobicContact CB-SD 4.25Å; S49-M52 WeakPolarHBondContact O-CB 3.43Å; S49-M52 PolarHBondContact O-N 3.47Å; Y50-M52 PolarHBondContact O-N 3.05Å; M52-E54 PolarHBondContact O-N 3.25Å; M52-V55 PolarHBondContact O-N 3.07Å; M52-V55 VanDerWaalsContact O-N 3.08Å; M52-V56 HydrophobicContact CE-CG2 3.58Å; M52-V56 HydrophobicContact CG-CG2 4.08Å; M52-V56 WeakPolarHBondContact O-CB 3.44Å; M52-V56 WeakPolarHBondContact O-CG2 3.41Å; M52-V56 PolarHBondContact O-N 2.77Å; M52-V56 HydrophobicContact SD-CG2 4.35Å
53N89.5Confident88Confident54 Ų5456.9 Ų56.929%0.28930%0.298SS..Hα-helixtrans-63.7-31.5176.1-72.4-58.4000112.6Y50 I51 V55 R57Y50-N53 PolarHBondContact O-N 3.09Å; I51-N53 VanDerWaalsContact C-N 3.26Å; I51-N53 PolarHBondContact O-N 3.28Å; N53-V55 PolarHBondContact O-N 3.01Å; N53-R57 WeakPolarHBondContact O-CB 3.4Å; N53-R57 WeakPolarHBondContact O-CG 3.45Å; N53-R57 PolarHBondContact O-N 3.24Å; N53-R57 VanDerWaalsContact O-N 3.12Å
54E89Confident87.9Confident49 Ų4960.1 Ų60.123%0.22932%0.319CS..Hα-helixtrans-75.3-12.8177.2-59.7-65.312000112.7Y50 I51 M52 P58 L72 K75Y50-E54 HydrophobicContact CE1-CG 4.34Å; I51-E54 WeakPolarHBondContact O-CA 3.22Å; I51-E54 VanDerWaalsContact O-CB 3.31Å; I51-E54 WeakPolarHBondContact O-CB 3.14Å; I51-E54 PolarHBondContact O-N 2.9Å; M52-E54 PolarHBondContact O-N 3.25Å; E54-P58 VanDerWaalsContact O-CD 3.26Å; E54-P58 WeakPolarHBondContact O-CD 3.48Å; E54-P58 WeakPolarHBondContact O-CG 3.05Å; E54-L72 HydrophobicContact CB-CD2 4.21Å; E54-K75 HydrophobicContact CG-CD 4.31Å; E54-K75 IonicContact OE1-NZ 3.68Å; E54-K75 IonicContact OE2-NZ 2.62Å; E54-K75 PolarHBondContact OE2-NZ 3.28Å
55V90Very high87.7Confident1 Ų160.9 Ų60.91%0.00633%0.325CS..Hα-helixtrans-96.3-52.5172.8-177.70000110.5M1 I23 I41 I51 M52 N53 P58 L59 L72M1-V55 HydrophobicContact SD-CG1 4.2Å; I23-V55 HydrophobicContact CD1-CG1 4.31Å; I41-V55 HydrophobicContact CB-CG2 4.06Å; I41-V55 HydrophobicContact CG2-CG2 4.47Å; I51-V55 PolarHBondContact O-N 2.94Å; M52-V55 PolarHBondContact O-N 3.07Å; M52-V55 VanDerWaalsContact O-N 3.08Å; N53-V55 PolarHBondContact O-N 3.01Å; V55-P58 WeakPolarHBondContact O-CD 3.28Å; V55-L59 HydrophobicContact CG1-CD1 3.74Å; V55-L59 WeakPolarHBondContact O-CB 3.13Å; V55-L59 VanDerWaalsContact O-CG 3.22Å; V55-L59 WeakPolarHBondContact O-CG 3.47Å; V55-L59 PolarHBondContact O-N 2.85Å; V55-L72 HydrophobicContact CG2-CD1 3.77Å; V55-L72 HydrophobicContact CG2-CD2 3.93Å; V55-L72 HydrophobicContact CG2-CG 4.35Å
56V90.9Very high87.6Confident2 Ų262.1 Ų62.11%0.01232%0.32CS..Hα-helixtrans-66.4-47.3-172.7171.80000112P16 L19 E20 I23 M52 L59 G60P16-V56 HydrophobicContact CB-CG1 3.52Å; P16-V56 HydrophobicContact CG-CG1 4.49Å; P16-V56 WeakPolarHBondContact O-CG1 3.2Å; L19-V56 HydrophobicContact CB-CG1 4.29Å; L19-V56 HydrophobicContact CD2-CG1 4.26Å; L19-V56 HydrophobicContact CG-CG2 4.45Å; E20-V56 HydrophobicContact CB-CG2 4.03Å; I23-V56 HydrophobicContact CD1-CG2 4.4Å; M52-V56 HydrophobicContact CE-CG2 3.58Å; M52-V56 HydrophobicContact CG-CG2 4.08Å; M52-V56 WeakPolarHBondContact O-CB 3.44Å; M52-V56 WeakPolarHBondContact O-CG2 3.41Å; M52-V56 PolarHBondContact O-N 2.77Å; M52-V56 HydrophobicContact SD-CG2 4.35Å; V56-L59 PolarHBondContact O-N 3.26Å; V56-G60 PolarHBondContact O-N 3.49Å
57R90.1Very high87.7Confident131 Ų13162.5 Ų62.549%0.49432%0.32SS..Hα-helixtrans-65.9-47.9-176.1-62.1174.4175.4-165.8-3.2112N53 L59 G60 W61N53-R57 WeakPolarHBondContact O-CB 3.4Å; N53-R57 WeakPolarHBondContact O-CG 3.45Å; N53-R57 PolarHBondContact O-N 3.24Å; N53-R57 VanDerWaalsContact O-N 3.12Å; R57-L59 PolarHBondContact O-N 3.01Å; R57-G60 PolarHBondContact O-N 3.21Å; R57-W61 HydrophobicContact CB-CH2 4.47Å; R57-W61 HydrophobicContact CB-CZ2 4.46Å; R57-W61 PolarHBondContact O-N 3.07Å; R57-W61 VanDerWaalsContact O-N 3.11Å
58P90.6Very high87.8Confident7 Ų762.2 Ų62.25%0.04532%0.317CS..Hα-helixtrans-63-41177.3-28.641.6000113E54 V55 G60 W61 M63 V68E54-P58 VanDerWaalsContact O-CD 3.26Å; E54-P58 WeakPolarHBondContact O-CD 3.48Å; E54-P58 WeakPolarHBondContact O-CG 3.05Å; V55-P58 WeakPolarHBondContact O-CD 3.28Å; P58-G60 VanDerWaalsContact C-N 3.34Å; P58-G60 PolarHBondContact O-N 3.39Å; P58-W61 CarbonylContact O-C 3.51Å; P58-W61 PolarHBondContact O-N 3.02Å; P58-M63 HydrophobicContact CB-CB 3.91Å; P58-M63 HydrophobicContact CB-CE 4.36Å; P58-M63 HydrophobicContact CB-CG 4.39Å; P58-M63 HydrophobicContact CB-SD 3.87Å; P58-M63 WeakPolarHBondContact O-CA 3.5Å; P58-M63 WeakPolarHBondContact O-CB 3.26Å; P58-M63 PolarHBondContact O-N 3.21Å; P58-V68 HydrophobicContact CB-CG1 4.46Å; P58-V68 HydrophobicContact CB-CG2 3.61Å
59L88.5Confident87.8Confident9 Ų961.5 Ų61.55%0.04731%0.308CS..Hα-helixtrans-61.8-41.5175.9-73.3175.7000111.9A5 I13 L19 V55 V56 R57 W61 S62 P65 V68A5-L59 HydrophobicContact CB-CD2 4.31Å; I13-L59 WeakPolarHBondContact CG2-O 3.47Å; L19-L59 HydrophobicContact CD2-CB 3.68Å; L19-L59 HydrophobicContact CD2-CD1 4.14Å; V55-L59 HydrophobicContact CG1-CD1 3.74Å; V55-L59 WeakPolarHBondContact O-CB 3.13Å; V55-L59 VanDerWaalsContact O-CG 3.22Å; V55-L59 WeakPolarHBondContact O-CG 3.47Å; V55-L59 PolarHBondContact O-N 2.85Å; V56-L59 PolarHBondContact O-N 3.26Å; R57-L59 PolarHBondContact O-N 3.01Å; L59-W61 VanDerWaalsContact C-N 3.25Å; L59-W61 PolarHBondContact O-N 2.71Å; L59-S62 WeakPolarHBondContact O-CA 3.48Å; L59-S62 PolarHBondContact O-N 3.41Å; L59-P65 HydrophobicContact CD2-CB 4.47Å; L59-P65 HydrophobicContact CD2-CG 4.11Å; L59-V68 HydrophobicContact CD2-CG2 4.16Å; L59-V68 HydrophobicContact CG-CG2 4.34Å
60G86.9Confident88.3Confident15 Ų1560.3 Ų60.316%0.15530%0.3CS..Hα-helixtrans-67.4-22176.700000114.6I13 V56 R57 P58 S62I13-G60 WeakPolarHBondContact O-CA 3.44Å; V56-G60 PolarHBondContact O-N 3.49Å; R57-G60 PolarHBondContact O-N 3.21Å; P58-G60 VanDerWaalsContact C-N 3.34Å; P58-G60 PolarHBondContact O-N 3.39Å; G60-S62 PolarHBondContact O-N 3.46Å
61W87.6Confident88.5Confident196 Ų19658.9 Ų58.974%0.74229%0.294SS*.THydrogen-bonded Turntrans-89.319.5169.4-58.4-24.8000113.1R57 P58 L59 M63R57-W61 HydrophobicContact CB-CH2 4.47Å; R57-W61 HydrophobicContact CB-CZ2 4.46Å; R57-W61 PolarHBondContact O-N 3.07Å; R57-W61 VanDerWaalsContact O-N 3.11Å; P58-W61 CarbonylContact O-C 3.51Å; P58-W61 PolarHBondContact O-N 3.02Å; L59-W61 VanDerWaalsContact C-N 3.25Å; L59-W61 PolarHBondContact O-N 2.71Å; W61-M63 PolarHBondContact O-N 2.7Å
62S84.6Confident88.5Confident94 Ų9457.3 Ų57.366%0.65729%0.285SS*.THydrogen-bonded Turntrans59.326.7-179.5-520000113.7L59 G60L59-S62 WeakPolarHBondContact O-CA 3.48Å; L59-S62 PolarHBondContact O-N 3.41Å; G60-S62 PolarHBondContact O-N 3.46Å
63M88.2Confident88.3Confident33 Ų3362.7 Ų62.716%0.16331%0.309CS..  trans-67.8130.7171.8-172.2168.8-6500109.4P58 W61 K67 V68P58-M63 HydrophobicContact CB-CB 3.91Å; P58-M63 HydrophobicContact CB-CE 4.36Å; P58-M63 HydrophobicContact CB-CG 4.39Å; P58-M63 HydrophobicContact CB-SD 3.87Å; P58-M63 WeakPolarHBondContact O-CA 3.5Å; P58-M63 WeakPolarHBondContact O-CB 3.26Å; P58-M63 PolarHBondContact O-N 3.21Å; W61-M63 PolarHBondContact O-N 2.7Å; M63-K67 HydrophobicContact CG-CB 3.92Å; M63-K67 HydrophobicContact CG-CD 4.04Å; M63-K67 HydrophobicContact CG-CG 4.1Å; M63-K67 HydrophobicContact SD-CB 4.17Å; M63-K67 HydrophobicContact SD-CD 4.02Å; M63-K67 HydrophobicContact SD-CG 3.82Å; M63-V68 HydrophobicContact CB-CG2 3.93Å; M63-V68 HydrophobicContact CG-CG2 3.78Å; M63-V68 HydrophobicContact SD-CG2 3.98Å
64P88.3Confident88.1Confident72 Ų7267.7 Ų67.747%0.46833%0.33SS..  trans-56.7138178.1-26.934.9000111.8E66 K67 V68P64-E66 PolarHBondContact O-N 2.92Å; P64-E66 VanDerWaalsContact O-N 3.11Å; P64-K67 WeakPolarHBondContact O-CB 3.25Å; P64-K67 PolarHBondContact O-N 3.01Å; P64-V68 PolarHBondContact O-N 2.91Å; P64-V68 VanDerWaalsContact O-N 3.12Å
65P86.7Confident87.8Confident29 Ų2970.8 Ų70.819%0.18834%0.343CS..Hα-helixtrans-54.1-34.6-179.7-27.834.6000113.6M1 A5 L59 K67 V68 C69M1-P65 HydrophobicContact CB-CB 4.42Å; M1-P65 HydrophobicContact CE-CB 4.33Å; M1-P65 WeakPolarHBondContact CE-O 3.33Å; A5-P65 HydrophobicContact CB-CG 3.49Å; A5-P65 VanDerWaalsContact CB-CG 3.49Å; L59-P65 HydrophobicContact CD2-CB 4.47Å; L59-P65 HydrophobicContact CD2-CG 4.11Å; P65-K67 VanDerWaalsContact C-N 3.31Å; P65-K67 PolarHBondContact O-N 3.4Å; P65-V68 PolarHBondContact O-N 3.29Å; P65-C69 WeakPolarHBondContact O-CB 2.95Å; P65-C69 PolarHBondContact O-N 3.05Å
66E86.5Confident87.3Confident156 Ų15672.7 Ų72.773%0.72935%0.353SS*.Hα-helixtrans-61.3-40.8176.3-64.1179.591.800112.1P64 C69 S70P64-E66 PolarHBondContact O-N 2.92Å; P64-E66 VanDerWaalsContact O-N 3.11Å; E66-C69 WeakPolarHBondContact O-CB 3.46Å; E66-C69 PolarHBondContact O-N 3.04Å; E66-S70 PolarHBondContact O-N 3.02Å
67K88.3Confident86.8Confident117 Ų11774.7 Ų74.751%0.50937%0.374SS..Hα-helixtrans-72.2-37.6179.1-168.5171-174.8172.40111.7M63 P64 P65 C69 S70 R71M63-K67 HydrophobicContact CG-CB 3.92Å; M63-K67 HydrophobicContact CG-CD 4.04Å; M63-K67 HydrophobicContact CG-CG 4.1Å; M63-K67 HydrophobicContact SD-CB 4.17Å; M63-K67 HydrophobicContact SD-CD 4.02Å; M63-K67 HydrophobicContact SD-CG 3.82Å; P64-K67 WeakPolarHBondContact O-CB 3.25Å; P64-K67 PolarHBondContact O-N 3.01Å; P65-K67 VanDerWaalsContact C-N 3.31Å; P65-K67 PolarHBondContact O-N 3.4Å; K67-C69 VanDerWaalsContact C-N 3.31Å; K67-S70 PolarHBondContact O-N 2.77Å; K67-R71 PolarHBondContact O-N 2.9Å; K67-R71 VanDerWaalsContact O-N 3.11Å
68V89.7Confident86.3Confident1 Ų173 Ų731%0.00637%0.372CS..Hα-helixtrans-61.5-43.1171.9-178.60000110.1M1 P58 L59 M63 P64 P65 S70 R71 L72M1-V68 HydrophobicContact CE-CB 3.46Å; M1-V68 VanDerWaalsContact CE-CB 3.46Å; M1-V68 HydrophobicContact CE-CG1 3.57Å; M1-V68 HydrophobicContact SD-CG1 4.26Å; P58-V68 HydrophobicContact CB-CG1 4.46Å; P58-V68 HydrophobicContact CB-CG2 3.61Å; L59-V68 HydrophobicContact CD2-CG2 4.16Å; L59-V68 HydrophobicContact CG-CG2 4.34Å; M63-V68 HydrophobicContact CB-CG2 3.93Å; M63-V68 HydrophobicContact CG-CG2 3.78Å; M63-V68 HydrophobicContact SD-CG2 3.98Å; P64-V68 PolarHBondContact O-N 2.91Å; P64-V68 VanDerWaalsContact O-N 3.12Å; P65-V68 PolarHBondContact O-N 3.29Å; V68-S70 VanDerWaalsContact C-N 3.34Å; V68-S70 PolarHBondContact O-N 3.16Å; V68-R71 PolarHBondContact O-N 3.19Å; V68-R71 VanDerWaalsContact O-N 3.16Å; V68-L72 HydrophobicContact CG1-CD1 4.46Å; V68-L72 WeakPolarHBondContact O-CG 3.33Å; V68-L72 PolarHBondContact O-N 3.4Å
69C87.3Confident85.9Confident43 Ų4373.3 Ų73.329%0.29137%0.373SS..Hα-helixtrans-62.6-41.7178.1-168.80000111.4M1 P65 E66 K67 R71 L72 K73M1-C69 HydrophobicContact CE-CB 3.8Å; M1-C69 VanDerWaalsContact CE-N 3.28Å; P65-C69 WeakPolarHBondContact O-CB 2.95Å; P65-C69 PolarHBondContact O-N 3.05Å; E66-C69 WeakPolarHBondContact O-CB 3.46Å; E66-C69 PolarHBondContact O-N 3.04Å; K67-C69 VanDerWaalsContact C-N 3.31Å; C69-R71 VanDerWaalsContact C-N 3.31Å; C69-R71 PolarHBondContact O-N 3.28Å; C69-L72 PolarHBondContact O-N 3.41Å; C69-K73 PolarHBondContact O-N 2.03Å
70S88.3Confident85.2Confident68 Ų6875.7 Ų75.748%0.47639%0.39SS..Hα-helixtrans-61.1-37.9175.4-169.50000112.7E66 K67 V68 K73 E74E66-S70 PolarHBondContact O-N 3.02Å; K67-S70 PolarHBondContact O-N 2.77Å; V68-S70 VanDerWaalsContact C-N 3.34Å; V68-S70 PolarHBondContact O-N 3.16Å; S70-K73 WeakPolarHBondContact O-CB 3.47Å; S70-K73 PolarHBondContact O-N 3.41Å; S70-E74 PolarHBondContact O-N 2.96Å
71R88.7Confident84.7Confident118 Ų11881.7 Ų81.745%0.44541%0.414SS..Hα-helixtrans-70.7-39.1175.9-73.5-173.8170.5-163.4-2.3112.5K67 V68 C69 K73 E74 K75K67-R71 PolarHBondContact O-N 2.9Å; K67-R71 VanDerWaalsContact O-N 3.11Å; V68-R71 PolarHBondContact O-N 3.19Å; V68-R71 VanDerWaalsContact O-N 3.16Å; C69-R71 VanDerWaalsContact C-N 3.31Å; C69-R71 PolarHBondContact O-N 3.28Å; R71-K73 VanDerWaalsContact C-N 3.28Å; R71-K73 PolarHBondContact O-N 2.95Å; R71-E74 PolarHBondContact O-N 3.09Å; R71-K75 PolarHBondContact O-N 3.47Å
72L88.1Confident84.1Confident6 Ų673.5 Ų73.53%0.03138%0.384CS..Hα-helixtrans-60.9-40.8174-70.1172.5000111.2M1 I41 I51 E54 V55 V68 C69 E74 K75 D76 I79M1-L72 HydrophobicContact CE-CD1 4.48Å; M1-L72 HydrophobicContact SD-CD1 3.89Å; I41-L72 HydrophobicContact CG2-CD1 4.12Å; I51-L72 HydrophobicContact CG2-CD2 3.77Å; E54-L72 HydrophobicContact CB-CD2 4.21Å; V55-L72 HydrophobicContact CG2-CD1 3.77Å; V55-L72 HydrophobicContact CG2-CD2 3.93Å; V55-L72 HydrophobicContact CG2-CG 4.35Å; V68-L72 HydrophobicContact CG1-CD1 4.46Å; V68-L72 WeakPolarHBondContact O-CG 3.33Å; V68-L72 PolarHBondContact O-N 3.4Å; C69-L72 PolarHBondContact O-N 3.41Å; L72-E74 PolarHBondContact O-N 3.43Å; L72-K75 PolarHBondContact O-N 3.48Å; L72-D76 PolarHBondContact O-N 3.47Å; L72-I79 HydrophobicContact CB-CD1 3.99Å; L72-I79 HydrophobicContact CB-CG2 4.49Å; L72-I79 HydrophobicContact CD1-CD1 3.75Å
73K86.4Confident83.4Confident116 Ų11679 Ų7950%0.50439%0.391SS..Hα-helixtrans-56.3-36.8175.2-179.8-172.4-173.6-176.40113C69 S70 R71 K75 D76 G77 I79 C80C69-K73 PolarHBondContact O-N 2.03Å; S70-K73 WeakPolarHBondContact O-CB 3.47Å; S70-K73 PolarHBondContact O-N 3.41Å; R71-K73 VanDerWaalsContact C-N 3.28Å; R71-K73 PolarHBondContact O-N 2.95Å; K73-K75 VanDerWaalsContact C-N 3.26Å; K73-K75 PolarHBondContact O-N 2.81Å; K73-D76 CarbonylContact O-C 3.57Å; K73-G77 PolarHBondContact O-N 3.45Å; K73-I79 HydrophobicContact CB-CG2 4.41Å; K73-C80 HydrophobicContact CD-CB 4.45Å; K73-C80 WeakPolarHBondContact CD-SG 3.18Å; K73-C80 HydrophobicContact CG-CB 4.28Å; K73-C80 WeakPolarHBondContact CG-SG 3.23Å
74E86.2Confident82.5Confident158 Ų15882.7 Ų82.774%0.73840%0.404SS*.Hα-helixtrans-68.6-27177.5-65.7176.5101.100112.3S70 R71 L72S70-E74 PolarHBondContact O-N 2.96Å; R71-E74 PolarHBondContact O-N 3.09Å; L72-E74 PolarHBondContact O-N 3.43Å
75K82.3Confident81.4Confident114 Ų11483.2 Ų83.250%0.49640%0.403SS..Hα-helixtrans-89.1-40.1178.3-69.4-170164.1-174.40113Y50 E54 R71 L72 K73Y50-K75 PolarHBondContact OH-NZ 2.99Å; E54-K75 HydrophobicContact CG-CD 4.31Å; E54-K75 IonicContact OE1-NZ 3.68Å; E54-K75 IonicContact OE2-NZ 2.62Å; E54-K75 PolarHBondContact OE2-NZ 3.28Å; R71-K75 PolarHBondContact O-N 3.47Å; L72-K75 PolarHBondContact O-N 3.48Å; K73-K75 VanDerWaalsContact C-N 3.26Å; K73-K75 PolarHBondContact O-N 2.81Å
76D79.5Confident80.3Confident41 Ų4191.5 Ų91.522%0.21944%0.436CS..  trans-141.3101.8-179.8-172.1-17.4000109.4L72 K73 Q78 I79L72-D76 PolarHBondContact O-N 3.47Å; K73-D76 CarbonylContact O-C 3.57Å; D76-Q78 PolarHBondContact O-N 3.21Å; D76-Q78 WeakPolarHBondContact OD1-CA 3.42Å; D76-Q78 WeakPolarHBondContact OD1-CB 3.44Å; D76-Q78 VanDerWaalsContact OD1-CG 3.28Å; D76-Q78 WeakPolarHBondContact OD1-CG 2.97Å; D76-Q78 PolarHBondContact OD1-N 3.41Å; D76-I79 WeakPolarHBondContact O-CG2 3.49Å; D76-I79 PolarHBondContact O-N 2.93Å
77G81Confident79.3Confident44 Ų4489.1 Ų89.145%0.45444%0.436SS..THydrogen-bonded Turntrans-63.9-21.317800000113.5K73 I79 C80K73-G77 PolarHBondContact O-N 3.45Å; G77-I79 PolarHBondContact O-N 3.45Å; G77-C80 WeakPolarHBondContact O-CB 3.47Å; G77-C80 PolarHBondContact O-N 3.37Å; G77-C80 VanDerWaalsContact O-N 3.07Å
78Q78.8Confident78.5Confident97 Ų9785.6 Ų85.645%0.45342%0.423SS..Hα-helixtrans-65.9-25.6-177.7-54.5-170.1-100.400112Y40 D76 C80 E81 L82Y40-Q78 HydrophobicContact CE1-CB 4.07Å; Y40-Q78 HydrophobicContact CE2-CB 4.34Å; D76-Q78 PolarHBondContact O-N 3.21Å; D76-Q78 WeakPolarHBondContact OD1-CA 3.42Å; D76-Q78 WeakPolarHBondContact OD1-CB 3.44Å; D76-Q78 VanDerWaalsContact OD1-CG 3.28Å; D76-Q78 WeakPolarHBondContact OD1-CG 2.97Å; D76-Q78 PolarHBondContact OD1-N 3.41Å; Q78-C80 PolarHBondContact O-N 3.41Å; Q78-E81 WeakPolarHBondContact O-CB 3.49Å; Q78-E81 PolarHBondContact O-N 2.69Å; Q78-L82 PolarHBondContact O-N 3.47Å
79I81.8Confident77.9Confident12 Ų1289.6 Ų89.66%0.06244%0.444CS..Hα-helixtrans-59.5-31.4174.6-157.7173000112F37 I41 L72 K73 D76 G77F37-I79 HydrophobicContact CD2-CD1 4.34Å; F37-I79 HydrophobicContact CD2-CG1 4.18Å; F37-I79 HydrophobicContact CE2-CD1 3.98Å; F37-I79 HydrophobicContact CE2-CG1 4.25Å; I41-I79 HydrophobicContact CG2-CD1 3.86Å; L72-I79 HydrophobicContact CB-CD1 3.99Å; L72-I79 HydrophobicContact CB-CG2 4.49Å; L72-I79 HydrophobicContact CD1-CD1 3.75Å; K73-I79 HydrophobicContact CB-CG2 4.41Å; D76-I79 WeakPolarHBondContact O-CG2 3.49Å; D76-I79 PolarHBondContact O-N 2.93Å; G77-I79 PolarHBondContact O-N 3.45Å
80C73.5Confident77.6Confident60 Ų6089.7 Ų89.741%0.40544%0.438SS..Hα-helixtrans-85.2-14.4177.3-79.20000113.6K73 G77 Q78K73-C80 HydrophobicContact CD-CB 4.45Å; K73-C80 WeakPolarHBondContact CD-SG 3.18Å; K73-C80 HydrophobicContact CG-CB 4.28Å; K73-C80 WeakPolarHBondContact CG-SG 3.23Å; G77-C80 WeakPolarHBondContact O-CB 3.47Å; G77-C80 PolarHBondContact O-N 3.37Å; G77-C80 VanDerWaalsContact O-N 3.07Å; Q78-C80 PolarHBondContact O-N 3.41Å
81E76.1Confident76.9Confident140 Ų14092.9 Ų92.965%0.65444%0.444SS*.Hα-helixtrans-77.4-15172.5-59.1-171.7122.200111.9Q78 R83Q78-E81 WeakPolarHBondContact O-CB 3.49Å; Q78-E81 PolarHBondContact O-N 2.69Å; E81-R83 VanDerWaalsContact C-N 3.32Å; E81-R83 PolarHBondContact O-N 3.43Å
82L76.3Confident76.5Confident24 Ų2492.7 Ų92.713%0.12646%0.456CS..  trans-65.890.4169.8-68-178.8000111R36 F37 Y40 Q78 Y84R36-L82 HydrophobicContact CB-CD2 3.91Å; F37-L82 HydrophobicContact CB-CD1 3.65Å; F37-L82 HydrophobicContact CD2-CD1 4.24Å; F37-L82 HydrophobicContact CG-CD1 4.47Å; Y40-L82 HydrophobicContact CD2-CD1 3.57Å; Y40-L82 HydrophobicContact CD2-CG 4.07Å; Y40-L82 HydrophobicContact CE2-CD1 3.73Å; Y40-L82 HydrophobicContact CE2-CD2 3.95Å; Y40-L82 HydrophobicContact CE2-CG 3.74Å; Q78-L82 PolarHBondContact O-N 3.47Å; L82-Y84 HydrophobicContact CB-CE2 4.24Å; L82-Y84 PolarHBondContact O-N 3.21Å
83R69.1Low76.3Confident209 Ų20994.2 Ų94.279%0.78947%0.465SS*.  trans-84.9104.4168.8-60.9-163.7-174.8-146.22.8109.1K33 E81K33-R83 WeakPolarHBondContact CD-O 3.39Å; K33-R83 WeakPolarHBondContact CE-O 3.35Å; K33-R83 PolarHBondContact NZ-O 3.42Å; E81-R83 VanDerWaalsContact C-N 3.32Å; E81-R83 PolarHBondContact O-N 3.43Å
84Y69.5Low76.3Confident111 Ų11192 Ų9244%0.43546%0.459SS..PPolyproline II helixtrans-68.4135.4162.8-65.3-88000108.4K33 E34 F37 L82K33-Y84 HydrophobicContact CB-CD1 4.14Å; K33-Y84 HydrophobicContact CB-CE1 3.74Å; K33-Y84 HydrophobicContact CD-CD1 4.42Å; E34-Y84 PolarHBondContact OE2-OH 3.16Å; F37-Y84 WeakPolarHBondContact CB-OH 3.43Å; L82-Y84 HydrophobicContact CB-CE2 4.24Å; L82-Y84 PolarHBondContact O-N 3.21Å
85D66.3Low76.3Confident84 Ų8485 Ų8545%0.44943%0.427SS..PPolyproline II helixtrans-63.9149.4167.6-65.2-93.9000108.2K33 S87 K105K33-D85 IonicContact NZ-OD2 2.91Å; K33-D85 PolarHBondContact NZ-OD2 3Å; D85-S87 PolarHBondContact O-N 3.3Å; D85-K105 IonicContact OD1-NZ 3.73Å; D85-K105 PolarHBondContact OD1-NZ 3.35Å; D85-K105 WeakPolarHBondContact OD2-CE 3.26Å; D85-K105 IonicContact OD2-NZ 3.99Å; D85-K105 PolarHBondContact OD2-NZ 3.4Å
86K63.4Low76.6Confident202 Ų20287.1 Ų87.188%0.87844%0.436SS*.PPolyproline II helixtrans-53.2121.7175.4-71.1-172.1177.9-174.60107.5I88K86-I88 PolarHBondContact O-N 3.04Å
87S64.8Low77Confident106 Ų10693.3 Ų93.374%0.74146%0.461SS*.PPolyproline II helixtrans-53.3130.7172.3-168.40000107.5D85 D89D85-S87 PolarHBondContact O-N 3.3Å; S87-D89 PolarHBondContact O-N 3.4Å
88I71.8Confident77.3Confident43 Ų4393 Ų9322%0.22145%0.448CS..PPolyproline II helixtrans-69.8122.2175.9-63.3179.6000106.8K86 W90 V93 L98 I106K86-I88 PolarHBondContact O-N 3.04Å; I88-W90 HydrophobicContact CB-CD2 4.43Å; I88-W90 HydrophobicContact CB-CZ2 4.1Å; I88-W90 HydrophobicContact CD1-CH2 4.35Å; I88-W90 HydrophobicContact CD1-CZ2 4.24Å; I88-W90 HydrophobicContact CG2-CD2 3.96Å; I88-W90 HydrophobicContact CG2-CE3 4.11Å; I88-W90 HydrophobicContact CG2-CH2 4.34Å; I88-W90 HydrophobicContact CG2-CZ2 4.17Å; I88-W90 HydrophobicContact CG2-CZ3 4.32Å; I88-W90 PolarHBondContact O-N 2.86Å; I88-W90 PolarHBondContact O-NE1 3.45Å; I88-V93 HydrophobicContact CG2-CB 3.58Å; I88-V93 HydrophobicContact CG2-CG1 3.74Å; I88-V93 HydrophobicContact CG2-CG2 3.51Å; I88-L98 HydrophobicContact CD1-CD1 4.39Å; I88-I106 HydrophobicContact CD1-CD1 3.19Å; I88-I106 HydrophobicContact CD1-CG1 3.36Å
89D77.2Confident77.7Confident86 Ų8695.7 Ų95.746%0.4646%0.459SS..  trans-76.493.2174.5-170.5-85.4000108.6S87 K91 T92 V93S87-D89 PolarHBondContact O-N 3.4Å; D89-K91 PolarHBondContact O-N 3.03Å; D89-K91 VanDerWaalsContact O-N 3.07Å; D89-K91 PolarHBondContact OD1-N 3.34Å; D89-T92 WeakPolarHBondContact CB-OG1 3.39Å; D89-T92 PolarHBondContact O-N 3.42Å; D89-T92 VanDerWaalsContact O-N 3.09Å; D89-T92 WeakPolarHBondContact OD1-CB 3.43Å; D89-T92 WeakPolarHBondContact OD1-CG2 3.4Å; D89-T92 PolarHBondContact OD1-N 2.75Å; D89-T92 PolarHBondContact OD1-OG1 3.09Å; D89-V93 WeakPolarHBondContact O-CA 3.42Å; D89-V93 WeakPolarHBondContact O-CB 3.43Å; D89-V93 WeakPolarHBondContact O-CG1 3.39Å; D89-V93 PolarHBondContact O-N 3.31Å
90W80.3Confident78Confident44 Ų4497.9 Ų97.917%0.16747%0.472CS..THydrogen-bonded Turntrans-64.8-13-172.7-66.8106.7000114.6I88 V93 L95 I106 W110 V127 K131 V135I88-W90 HydrophobicContact CB-CD2 4.43Å; I88-W90 HydrophobicContact CB-CZ2 4.1Å; I88-W90 HydrophobicContact CD1-CH2 4.35Å; I88-W90 HydrophobicContact CD1-CZ2 4.24Å; I88-W90 HydrophobicContact CG2-CD2 3.96Å; I88-W90 HydrophobicContact CG2-CE3 4.11Å; I88-W90 HydrophobicContact CG2-CH2 4.34Å; I88-W90 HydrophobicContact CG2-CZ2 4.17Å; I88-W90 HydrophobicContact CG2-CZ3 4.32Å; I88-W90 PolarHBondContact O-N 2.86Å; I88-W90 PolarHBondContact O-NE1 3.45Å; W90-V93 HydrophobicContact CE3-CG1 3.85Å; W90-V93 HydrophobicContact CZ3-CG1 4.44Å; W90-L95 HydrophobicContact CZ3-CD2 4.11Å; W90-I106 HydrophobicContact CH2-CD1 3.98Å; W90-I106 HydrophobicContact CH2-CG1 4.42Å; W90-I106 HydrophobicContact CH2-CG2 3.68Å; W90-I106 HydrophobicContact CZ2-CG2 4.13Å; W90-W110 AromaticContact CH2-CH2 3.53Å; W90-W110 HydrophobicContact CH2-CH2 3.53Å; W90-W110 AromaticContact CH2-CZ2 3.45Å; W90-W110 HydrophobicContact CH2-CZ2 3.45Å; W90-W110 VanDerWaalsContact CH2-CZ2 3.45Å; W90-W110 AromaticContact CZ2-CH2 3.99Å; W90-W110 HydrophobicContact CZ2-CH2 3.99Å; W90-W110 AromaticContact CZ2-CZ2 3.38Å; W90-W110 HydrophobicContact CZ2-CZ2 3.38Å; W90-W110 HydrophobicContact CZ3-CH2 4.15Å; W90-W110 HydrophobicContact CZ3-CZ2 4.35Å; W90-V127 HydrophobicContact CH2-CG1 3.97Å; W90-V127 HydrophobicContact CZ3-CG1 3.86Å; W90-K131 HydrophobicContact CE3-CD 4.16Å; W90-K131 HydrophobicContact CE3-CG 4.2Å; W90-K131 PolarHBondContact O-NZ 2.98Å; W90-V135 HydrophobicContact CB-CG1 3.78Å; W90-V135 HydrophobicContact CD2-CG1 4.27Å; W90-V135 HydrophobicContact CD2-CG2 3.66Å; W90-V135 VanDerWaalsContact CE2-CG2 3.46Å; W90-V135 HydrophobicContact CE3-CG2 4.32Å; W90-V135 HydrophobicContact CG-CB 4.3Å; W90-V135 HydrophobicContact CG-CG1 3.53Å; W90-V135 HydrophobicContact CG-CG2 3.83Å; W90-V135 HydrophobicContact CZ2-CG2 3.99Å
91K74.9Confident78.6Confident136 Ų136103.3 Ų103.359%0.59149%0.489SS*.THydrogen-bonded Turntrans-80.4-34.7174.6-65.7-172.2178.8-175.90111.6D89 E138 L139D89-K91 PolarHBondContact O-N 3.03Å; D89-K91 VanDerWaalsContact O-N 3.07Å; D89-K91 PolarHBondContact OD1-N 3.34Å; K91-E138 WeakPolarHBondContact CE-O 3.33Å; K91-E138 PolarHBondContact NZ-O 2.64Å; K91-L139 PolarHBondContact NZ-OXT 3.47Å; K91-L139 VanDerWaalsContact NZ-OXT 3.08Å
92T79.8Confident79.1Confident114 Ų11499.8 Ų99.870%0.69948%0.475SS*.THydrogen-bonded Turntrans-115.2-8.5-175.3610000114.7D89 D94D89-T92 WeakPolarHBondContact CB-OG1 3.39Å; D89-T92 PolarHBondContact O-N 3.42Å; D89-T92 VanDerWaalsContact O-N 3.09Å; D89-T92 WeakPolarHBondContact OD1-CB 3.43Å; D89-T92 WeakPolarHBondContact OD1-CG2 3.4Å; D89-T92 PolarHBondContact OD1-N 2.75Å; D89-T92 PolarHBondContact OD1-OG1 3.09Å; T92-D94 PolarHBondContact O-N 2.7Å
93V83.2Confident79.7Confident38 Ų3898.6 Ų98.623%0.2347%0.469CS..  trans-64.1125.8-177.666.80000111I88 D89 W90 L95 L98I88-V93 HydrophobicContact CG2-CB 3.58Å; I88-V93 HydrophobicContact CG2-CG1 3.74Å; I88-V93 HydrophobicContact CG2-CG2 3.51Å; D89-V93 WeakPolarHBondContact O-CA 3.42Å; D89-V93 WeakPolarHBondContact O-CB 3.43Å; D89-V93 WeakPolarHBondContact O-CG1 3.39Å; D89-V93 PolarHBondContact O-N 3.31Å; W90-V93 HydrophobicContact CE3-CG1 3.85Å; W90-V93 HydrophobicContact CZ3-CG1 4.44Å; V93-L95 HydrophobicContact CG1-CD2 4.33Å; V93-L95 HydrophobicContact CG2-CD2 4.2Å; V93-L98 HydrophobicContact CG2-CD1 3.97Å; V93-L98 HydrophobicContact CG2-CG 4.35Å
94D86.2Confident80.5Confident68 Ų6896.1 Ų96.136%0.36446%0.459SS..  trans-96.1101.5166.6-174.5-11.4000108.5T92 K96 K97T92-D94 PolarHBondContact O-N 2.7Å; D94-K96 PolarHBondContact O-N 3.38Å; D94-K96 VanDerWaalsContact O-N 3.09Å; D94-K96 WeakPolarHBondContact OD1-CB 3.35Å; D94-K96 PolarHBondContact OD1-N 2.97Å; D94-K97 HydrophobicContact CB-CB 4.32Å; D94-K97 HydrophobicContact CB-CD 3.97Å; D94-K97 HydrophobicContact CB-CG 4Å; D94-K97 WeakPolarHBondContact O-CB 3.37Å; D94-K97 PolarHBondContact O-N 3.23Å; D94-K97 VanDerWaalsContact OD2-CE 3.31Å; D94-K97 WeakPolarHBondContact OD2-CE 3.39Å
95L87.5Confident81.2Confident13 Ų1394.4 Ų94.47%0.06845%0.454CS..THydrogen-bonded Turntrans-57.9-24.3179-62.3178.6000112W90 V93 K97 L98 L103 I124 V127 E128W90-L95 HydrophobicContact CZ3-CD2 4.11Å; V93-L95 HydrophobicContact CG1-CD2 4.33Å; V93-L95 HydrophobicContact CG2-CD2 4.2Å; L95-K97 VanDerWaalsContact C-N 3.27Å; L95-K97 PolarHBondContact O-N 2.82Å; L95-L98 HydrophobicContact CD2-CD1 3.92Å; L95-L98 PolarHBondContact O-N 3.08Å; L95-L103 HydrophobicContact CB-CD2 4.47Å; L95-L103 HydrophobicContact CD2-CD2 4.18Å; L95-I124 HydrophobicContact CB-CG1 4.16Å; L95-I124 HydrophobicContact CB-CG2 3.91Å; L95-I124 HydrophobicContact CD1-CG2 4.07Å; L95-V127 HydrophobicContact CD1-CB 4.41Å; L95-V127 HydrophobicContact CD1-CG1 3.91Å; L95-V127 HydrophobicContact CD2-CG1 3.97Å; L95-E128 HydrophobicContact CD1-CG 3.47Å; L95-E128 VanDerWaalsContact CD1-CG 3.47Å
96K87.5Confident82Confident158 Ų15890.8 Ų90.869%0.68744%0.435SS*.THydrogen-bonded Turntrans-71.8-20.8175.5-56.1178.6179.5176.80112.4D94 K120 I124D94-K96 PolarHBondContact O-N 3.38Å; D94-K96 VanDerWaalsContact O-N 3.09Å; D94-K96 WeakPolarHBondContact OD1-CB 3.35Å; D94-K96 PolarHBondContact OD1-N 2.97Å; K96-K120 WeakPolarHBondContact O-CE 3.37Å; K96-K120 PolarHBondContact O-NZ 3.12Å; K96-I124 HydrophobicContact CG-CD1 4.23Å
97K88.1Confident83.1Confident171 Ų17181.3 Ų81.374%0.74339%0.394SS*.THydrogen-bonded Turntrans-85.7-18.3175.5-67.7-178.6-174.7170.40113.5D94 L95D94-K97 HydrophobicContact CB-CB 4.32Å; D94-K97 HydrophobicContact CB-CD 3.97Å; D94-K97 HydrophobicContact CB-CG 4Å; D94-K97 WeakPolarHBondContact O-CB 3.37Å; D94-K97 PolarHBondContact O-N 3.23Å; D94-K97 VanDerWaalsContact OD2-CE 3.31Å; D94-K97 WeakPolarHBondContact OD2-CE 3.39Å; L95-K97 VanDerWaalsContact C-N 3.27Å; L95-K97 PolarHBondContact O-N 2.82Å
98L86.3Confident84Confident36 Ų3681.9 Ų81.919%0.18839%0.388CS..SBendtrans-72.2150.4178.5-64.2-177.2000112I88 V93 L95 D102 L103 I106 K120I88-L98 HydrophobicContact CD1-CD1 4.39Å; V93-L98 HydrophobicContact CG2-CD1 3.97Å; V93-L98 HydrophobicContact CG2-CG 4.35Å; L95-L98 HydrophobicContact CD2-CD1 3.92Å; L95-L98 PolarHBondContact O-N 3.08Å; L98-D102 HydrophobicContact CB-CB 4.25Å; L98-D102 HydrophobicContact CD2-CB 4.46Å; L98-L103 HydrophobicContact CB-CD2 4.14Å; L98-L103 HydrophobicContact CB-CG 4.22Å; L98-L103 HydrophobicContact CD1-CD2 4.03Å; L98-I106 HydrophobicContact CD1-CD1 3.99Å; L98-K120 WeakPolarHBondContact O-CE 3.35Å; L98-K120 PolarHBondContact O-NZ 3.11Å
99K88Confident84.4Confident155 Ų15585.3 Ų85.367%0.67441%0.407SS*.  trans-80.8156172-63.4179.7179.2179.20109.2K101 D102 L103K99-K101 PolarHBondContact O-N 3.38Å; K99-K101 VanDerWaalsContact O-N 3.11Å; K99-D102 WeakPolarHBondContact CB-OD2 3.31Å; K99-D102 PolarHBondContact N-OD2 3.27Å; K99-D102 VanDerWaalsContact N-OD2 3.08Å; K99-D102 WeakPolarHBondContact O-CB 3.48Å; K99-D102 PolarHBondContact O-N 2.97Å; K99-L103 PolarHBondContact O-N 3.23Å; K99-L103 VanDerWaalsContact O-N 3.1Å
100V88Confident84.7Confident58 Ų5883.4 Ų83.435%0.35239%0.393SS..Hα-helixtrans-54-34.3175.7175.90000111.7D102 L103 R104 K120 F123V100-D102 VanDerWaalsContact C-N 3.34Å; V100-D102 PolarHBondContact O-N 3.46Å; V100-L103 PolarHBondContact O-N 2.68Å; V100-R104 WeakPolarHBondContact O-CB 2.88Å; V100-R104 PolarHBondContact O-N 2.97Å; V100-K120 HydrophobicContact CG2-CB 3.79Å; V100-K120 HydrophobicContact CG2-CD 4.35Å; V100-K120 HydrophobicContact CG2-CG 4.04Å; V100-F123 HydrophobicContact CG1-CD2 3.73Å; V100-F123 HydrophobicContact CG1-CE2 3.61Å; V100-F123 HydrophobicContact CG1-CG 4.39Å; V100-F123 HydrophobicContact CG1-CZ 4.15Å
101K86.2Confident84.7Confident174 Ų17484.4 Ų84.476%0.75742%0.418SS*.Hα-helixtrans-59.8-41.7174.2-175.4177.6177178.30112.7K99 K105K99-K101 PolarHBondContact O-N 3.38Å; K99-K101 VanDerWaalsContact O-N 3.11Å; K101-K105 WeakPolarHBondContact O-CB 3.42Å; K101-K105 PolarHBondContact O-N 2.9Å; K101-K105 VanDerWaalsContact O-N 3.1Å
102D86.7Confident85Confident65 Ų6580.7 Ų80.735%0.34840%0.402SS..Hα-helixtrans-71-42.4179.4-53.7-47.2000110.1L98 K99 V100 R104 K105 I106L98-D102 HydrophobicContact CB-CB 4.25Å; L98-D102 HydrophobicContact CD2-CB 4.46Å; K99-D102 WeakPolarHBondContact CB-OD2 3.31Å; K99-D102 PolarHBondContact N-OD2 3.27Å; K99-D102 VanDerWaalsContact N-OD2 3.08Å; K99-D102 WeakPolarHBondContact O-CB 3.48Å; K99-D102 PolarHBondContact O-N 2.97Å; V100-D102 VanDerWaalsContact C-N 3.34Å; V100-D102 PolarHBondContact O-N 3.46Å; D102-R104 PolarHBondContact O-N 3.33Å; D102-K105 WeakPolarHBondContact O-CB 3.41Å; D102-K105 PolarHBondContact O-N 3.16Å; D102-I106 WeakPolarHBondContact O-CG1 3.41Å; D102-I106 PolarHBondContact O-N 3.11Å
103L88.4Confident84.8Confident0 Ų079.7 Ų79.70%040%0.396CS..Hα-helixtrans-62.1-43.1176-62.4170.2000112.2L95 L98 K99 V100 K105 I106 L107 K120 F123 I124 V127L95-L103 HydrophobicContact CB-CD2 4.47Å; L95-L103 HydrophobicContact CD2-CD2 4.18Å; L98-L103 HydrophobicContact CB-CD2 4.14Å; L98-L103 HydrophobicContact CB-CG 4.22Å; L98-L103 HydrophobicContact CD1-CD2 4.03Å; K99-L103 PolarHBondContact O-N 3.23Å; K99-L103 VanDerWaalsContact O-N 3.1Å; V100-L103 PolarHBondContact O-N 2.68Å; L103-K105 VanDerWaalsContact C-N 3.27Å; L103-K105 PolarHBondContact O-N 3.42Å; L103-I106 HydrophobicContact CD2-CD1 4.33Å; L103-I106 WeakPolarHBondContact O-CB 3.45Å; L103-I106 PolarHBondContact O-N 3.35Å; L103-L107 WeakPolarHBondContact O-CG 3.34Å; L103-L107 PolarHBondContact O-N 2.97Å; L103-K120 HydrophobicContact CD1-CG 4.1Å; L103-F123 HydrophobicContact CB-CB 3.86Å; L103-F123 HydrophobicContact CB-CG 4.48Å; L103-F123 HydrophobicContact CD1-CB 3.76Å; L103-F123 HydrophobicContact CG-CB 4.43Å; L103-I124 HydrophobicContact CD1-CD1 4.49Å; L103-I124 HydrophobicContact CD1-CG1 3.67Å; L103-I124 HydrophobicContact CD2-CG1 4.33Å; L103-V127 HydrophobicContact CD2-CG2 4.34Å
104R85.6Confident84.5Confident156 Ų15679.5 Ų79.559%0.58940%0.396SS*.Hα-helixtrans-62.2-38.1175.5-176.5177.3-77.5-144.2-1.9111.4V100 D102 L107 D108 F123V100-R104 WeakPolarHBondContact O-CB 2.88Å; V100-R104 PolarHBondContact O-N 2.97Å; D102-R104 PolarHBondContact O-N 3.33Å; R104-L107 PolarHBondContact O-N 3.3Å; R104-D108 WeakPolarHBondContact O-CB 3.21Å; R104-D108 PolarHBondContact O-N 3.37Å; R104-F123 HydrophobicContact CB-CE1 4.37Å
105K84.4Confident83.9Confident76 Ų7687.6 Ų87.633%0.3342%0.422SS..Hα-helixtrans-65.5-39.9177.1-176.9175.9-179.1163.20112.5D85 K101 D102 L103 L107 D108 D109D85-K105 IonicContact OD1-NZ 3.73Å; D85-K105 PolarHBondContact OD1-NZ 3.35Å; D85-K105 WeakPolarHBondContact OD2-CE 3.26Å; D85-K105 IonicContact OD2-NZ 3.99Å; D85-K105 PolarHBondContact OD2-NZ 3.4Å; K101-K105 WeakPolarHBondContact O-CB 3.42Å; K101-K105 PolarHBondContact O-N 2.9Å; K101-K105 VanDerWaalsContact O-N 3.1Å; D102-K105 WeakPolarHBondContact O-CB 3.41Å; D102-K105 PolarHBondContact O-N 3.16Å; L103-K105 VanDerWaalsContact C-N 3.27Å; L103-K105 PolarHBondContact O-N 3.42Å; K105-L107 VanDerWaalsContact C-N 3.32Å; K105-L107 PolarHBondContact O-N 3.42Å; K105-D108 PolarHBondContact O-N 3.07Å; K105-D109 WeakPolarHBondContact O-CB 3.24Å; K105-D109 PolarHBondContact O-N 2.96Å
106I84.5Confident83.4Confident8 Ų891.2 Ų91.24%0.04145%0.454CS..Hα-helixtrans-57.4-48.2174-66.6166.1000110.6I88 W90 L98 D102 L103 D109 W110 V127I88-I106 HydrophobicContact CD1-CD1 3.19Å; I88-I106 HydrophobicContact CD1-CG1 3.36Å; W90-I106 HydrophobicContact CH2-CD1 3.98Å; W90-I106 HydrophobicContact CH2-CG1 4.42Å; W90-I106 HydrophobicContact CH2-CG2 3.68Å; W90-I106 HydrophobicContact CZ2-CG2 4.13Å; L98-I106 HydrophobicContact CD1-CD1 3.99Å; D102-I106 WeakPolarHBondContact O-CG1 3.41Å; D102-I106 PolarHBondContact O-N 3.11Å; L103-I106 HydrophobicContact CD2-CD1 4.33Å; L103-I106 WeakPolarHBondContact O-CB 3.45Å; L103-I106 PolarHBondContact O-N 3.35Å; I106-D109 PolarHBondContact O-N 3.26Å; I106-W110 HydrophobicContact CG2-CD2 3.89Å; I106-W110 HydrophobicContact CG2-CE3 3.86Å; I106-W110 HydrophobicContact CG2-CH2 3.57Å; I106-W110 HydrophobicContact CG2-CZ2 3.59Å; I106-W110 HydrophobicContact CG2-CZ3 3.7Å; I106-W110 VanDerWaalsContact O-CG 3.31Å; I106-W110 PolarHBondContact O-N 3.26Å; I106-V127 HydrophobicContact CB-CG2 4.43Å; I106-V127 HydrophobicContact CG2-CG1 4.13Å; I106-V127 HydrophobicContact CG2-CG2 4.09Å
107L85.5Confident83.2Confident3 Ų384.5 Ų84.52%0.01643%0.426CS..Hα-helixtrans-62.9-44.2179.4-64.9174.9000111L103 R104 K105 D109 W110 G111 E112 C114 F123 R126 V127 L130L103-L107 WeakPolarHBondContact O-CG 3.34Å; L103-L107 PolarHBondContact O-N 2.97Å; R104-L107 PolarHBondContact O-N 3.3Å; K105-L107 VanDerWaalsContact C-N 3.32Å; K105-L107 PolarHBondContact O-N 3.42Å; L107-D109 PolarHBondContact O-N 2.87Å; L107-W110 HydrophobicContact CD2-CE3 4.28Å; L107-W110 CarbonylContact O-C 3.5Å; L107-W110 WeakPolarHBondContact O-CA 3.33Å; L107-W110 WeakPolarHBondContact O-CB 3.17Å; L107-W110 PolarHBondContact O-N 3.35Å; L107-W110 VanDerWaalsContact O-N 3.1Å; L107-G111 PolarHBondContact O-N 3.45Å; L107-G111 VanDerWaalsContact O-N 3.14Å; L107-E112 CarbonylContact C-O 3.21Å; L107-E112 HydrophobicContact CB-CB 4.44Å; L107-E112 WeakPolarHBondContact CB-O 3.34Å; L107-E112 HydrophobicContact CD2-CB 4.4Å; L107-E112 WeakPolarHBondContact O-CA 3.46Å; L107-E112 PolarHBondContact O-N 3.33Å; L107-E112 VanDerWaalsContact O-O 3.07Å; L107-C114 HydrophobicContact CD1-CB 3.94Å; L107-F123 HydrophobicContact CD1-CD1 3.9Å; L107-F123 HydrophobicContact CD1-CE1 4.49Å; L107-R126 HydrophobicContact CD1-CG 4.25Å; L107-R126 HydrophobicContact CD2-CG 3.87Å; L107-V127 HydrophobicContact CD1-CG2 4.47Å; L107-V127 HydrophobicContact CD2-CG2 3.75Å; L107-V127 HydrophobicContact CG-CG2 3.9Å; L107-L130 HydrophobicContact CD2-CD1 3.68Å
108D84.3Confident82.8Confident117 Ų11781.3 Ų81.363%0.62643%0.426SS*.Hα-helixtrans-60.7-44.1176.1-166.4-110.1000112.3R104 K105 W110 G111R104-D108 WeakPolarHBondContact O-CB 3.21Å; R104-D108 PolarHBondContact O-N 3.37Å; K105-D108 PolarHBondContact O-N 3.07Å; D108-W110 PolarHBondContact O-N 3.37Å; D108-G111 WeakPolarHBondContact O-CA 3.37Å; D108-G111 PolarHBondContact O-N 2.93Å
109D79.2Confident82.8Confident115 Ų11585.6 Ų85.662%0.61545%0.445SS*.Hα-helixtrans-62.4-28.4175.5-76.2-10.9000111.8K105 I106 L107 G111K105-D109 WeakPolarHBondContact O-CB 3.24Å; K105-D109 PolarHBondContact O-N 2.96Å; I106-D109 PolarHBondContact O-N 3.26Å; L107-D109 PolarHBondContact O-N 2.87Å; D109-G111 VanDerWaalsContact C-N 3.33Å
110W83.2Confident82.8Confident46 Ų4681.9 Ų81.917%0.17443%0.428CS..THydrogen-bonded Turntrans-84.6-3.6173.1-66.5-13.8000114W90 I106 L107 D108 E112 V127 L130 K131 H134 V135W90-W110 AromaticContact CH2-CH2 3.53Å; W90-W110 HydrophobicContact CH2-CH2 3.53Å; W90-W110 AromaticContact CH2-CZ2 3.45Å; W90-W110 HydrophobicContact CH2-CZ2 3.45Å; W90-W110 VanDerWaalsContact CH2-CZ2 3.45Å; W90-W110 AromaticContact CZ2-CH2 3.99Å; W90-W110 HydrophobicContact CZ2-CH2 3.99Å; W90-W110 AromaticContact CZ2-CZ2 3.38Å; W90-W110 HydrophobicContact CZ2-CZ2 3.38Å; W90-W110 HydrophobicContact CZ3-CH2 4.15Å; W90-W110 HydrophobicContact CZ3-CZ2 4.35Å; I106-W110 HydrophobicContact CG2-CD2 3.89Å; I106-W110 HydrophobicContact CG2-CE3 3.86Å; I106-W110 HydrophobicContact CG2-CH2 3.57Å; I106-W110 HydrophobicContact CG2-CZ2 3.59Å; I106-W110 HydrophobicContact CG2-CZ3 3.7Å; I106-W110 VanDerWaalsContact O-CG 3.31Å; I106-W110 PolarHBondContact O-N 3.26Å; L107-W110 HydrophobicContact CD2-CE3 4.28Å; L107-W110 CarbonylContact O-C 3.5Å; L107-W110 WeakPolarHBondContact O-CA 3.33Å; L107-W110 WeakPolarHBondContact O-CB 3.17Å; L107-W110 PolarHBondContact O-N 3.35Å; L107-W110 VanDerWaalsContact O-N 3.1Å; D108-W110 PolarHBondContact O-N 3.37Å; W110-E112 HydrophobicContact CB-CB 4.42Å; W110-E112 HydrophobicContact CB-CG 4.21Å; W110-E112 PolarHBondContact O-N 2.9Å; W110-V127 HydrophobicContact CH2-CG1 3.9Å; W110-V127 HydrophobicContact CZ3-CB 4.42Å; W110-V127 HydrophobicContact CZ3-CG1 4.04Å; W110-L130 HydrophobicContact CE3-CB 3.75Å; W110-L130 HydrophobicContact CE3-CD1 4.26Å; W110-L130 HydrophobicContact CZ3-CB 3.6Å; W110-K131 HydrophobicContact CH2-CB 4.44Å; W110-H134 AromaticContact CD1-CG 3.82Å; W110-H134 AromaticContact CD1-ND1 3.95Å; W110-H134 HydrophobicContact CD2-CB 3.67Å; W110-H134 AromaticContact CD2-CD2 3.86Å; W110-H134 AromaticContact CD2-CG 3.7Å; W110-H134 VanDerWaalsContact CE2-CB 3.49Å; W110-H134 HydrophobicContact CE3-CB 4.37Å; W110-H134 AromaticContact CE3-CD2 3.94Å; W110-H134 HydrophobicContact CG-CB 3.78Å; W110-H134 AromaticContact CG-CD2 3.93Å; W110-H134 AromaticContact CG-CG 3.53Å; W110-H134 AromaticContact CG-ND1 3.72Å; W110-H134 HydrophobicContact CZ2-CB 4.04Å; W110-H134 PolarHBondContact O-CE1 3.08Å; W110-V135 HydrophobicContact CH2-CG2 4.35Å; W110-V135 HydrophobicContact CZ2-CG2 3.69Å
111G80.6Confident82.9Confident66 Ų6682.3 Ų82.368%0.6843%0.434SS*.THydrogen-bonded Turntrans73.714.8-174.200000113.6L107 D108 D109L107-G111 PolarHBondContact O-N 3.45Å; L107-G111 VanDerWaalsContact O-N 3.14Å; D108-G111 WeakPolarHBondContact O-CA 3.37Å; D108-G111 PolarHBondContact O-N 2.93Å; D109-G111 VanDerWaalsContact C-N 3.33Å
112E81.3Confident83.1Confident57 Ų5776.8 Ų76.827%0.26641%0.413SS..  trans-100.7129.7-174.2-73.4-76.9162.500110.1L107 W110 R126 L130L107-E112 CarbonylContact C-O 3.21Å; L107-E112 HydrophobicContact CB-CB 4.44Å; L107-E112 WeakPolarHBondContact CB-O 3.34Å; L107-E112 HydrophobicContact CD2-CB 4.4Å; L107-E112 WeakPolarHBondContact O-CA 3.46Å; L107-E112 PolarHBondContact O-N 3.33Å; L107-E112 VanDerWaalsContact O-O 3.07Å; W110-E112 HydrophobicContact CB-CB 4.42Å; W110-E112 HydrophobicContact CB-CG 4.21Å; W110-E112 PolarHBondContact O-N 2.9Å; E112-R126 IonicContact OE2-CZ 2.75Å; E112-R126 IonicContact OE2-NE 2.7Å; E112-R126 IonicContact OE2-NH2 2.72Å; E112-R126 PolarHBondContact OE2-NH2 3.45Å; E112-L130 HydrophobicContact CB-CD1 3.71Å; E112-L130 HydrophobicContact CG-CD1 3.55Å; E112-L130 HydrophobicContact CG-CD2 4.21Å
113T76Confident83.2Confident94 Ų9474 Ų7458%0.57740%0.398SS*.  trans-112.1117.7177.256.50000109.9R115T113-R115 PolarHBondContact O-N 3.23Å
114C77.6Confident83.4Confident33 Ų3375 Ų7522%0.22340%0.403CS..  trans-89.893.7170.9-1660000110.3L107 A116 C117 R126L107-C114 HydrophobicContact CD1-CB 3.94Å; C114-A116 VanDerWaalsContact C-N 3.32Å; C114-C117 HydrophobicContact CB-CB 3.74Å; C114-C117 WeakPolarHBondContact CB-SG 3.26Å; C114-C117 WeakPolarHBondContact SG-CB 3.49Å; C114-C117 PolarHBondContact SG-N 3.39Å; C114-C117 CovalentContact SG-SG 2.01Å; C114-C117 PolarHBondContact SG-SG 3.48Å; C114-R126 HydrophobicContact CB-CG 4.36Å
115R73.4Confident83.6Confident238 Ų23870.3 Ų70.390%0.89840%0.398SS*.THydrogen-bonded Turntrans-73.6-22.5178-64.3-175.7-176-179.70.2113.4T113T113-R115 PolarHBondContact O-N 3.23Å
116A77.2Confident83.8Confident90 Ų9070.3 Ų70.374%0.74440%0.395SS*.THydrogen-bonded Turntrans-104.13.6-177.300000114.3C114 S118C114-A116 VanDerWaalsContact C-N 3.32Å; A116-S118 PolarHBondContact O-N 2.99Å
117C81.7Confident84Confident16 Ų1669.9 Ų69.911%0.10839%0.393CS..  trans-83108.2178.4-68.70000110.4C114 D122 F123C114-C117 HydrophobicContact CB-CB 3.74Å; C114-C117 WeakPolarHBondContact CB-SG 3.26Å; C114-C117 WeakPolarHBondContact SG-CB 3.49Å; C114-C117 PolarHBondContact SG-N 3.39Å; C114-C117 CovalentContact SG-SG 2.01Å; C114-C117 PolarHBondContact SG-SG 3.48Å; C117-D122 HydrophobicContact CB-CB 3.71Å; C117-D122 VanDerWaalsContact SG-C 3.54Å; C117-F123 HydrophobicContact CB-CD1 3.83Å; C117-F123 HydrophobicContact CB-CD2 3.85Å; C117-F123 HydrophobicContact CB-CE1 3.6Å; C117-F123 HydrophobicContact CB-CE2 3.6Å; C117-F123 HydrophobicContact CB-CG 3.94Å; C117-F123 HydrophobicContact CB-CZ 3.45Å; C117-F123 VanDerWaalsContact CB-CZ 3.45Å; C117-F123 WeakPolarHBondContact O-CE2 3.21Å; C117-F123 WeakPolarHBondContact O-CZ 3.34Å
118S80.9Confident84.1Confident105 Ų10575.3 Ų75.373%0.73442%0.419SS*.  trans-100.4-36.8173.642.60000112.4A116 D122A116-S118 PolarHBondContact O-N 2.99Å; S118-D122 PolarHBondContact N-OD2 3.12Å
119E86.3Confident84.3Confident125 Ų12575.1 Ų75.158%0.58441%0.414SS*.SBendtrans-105.2158.3-175.7-61.3-172.181.800111.4S121 D122 F123E119-S121 WeakPolarHBondContact CB-OG 3.36Å; E119-S121 PolarHBondContact O-N 3.19Å; E119-D122 WeakPolarHBondContact CB-OD2 3.48Å; E119-D122 PolarHBondContact N-OD2 3.43Å; E119-D122 WeakPolarHBondContact O-CB 3.44Å; E119-D122 PolarHBondContact O-N 2.95Å; E119-D122 VanDerWaalsContact O-N 3.09Å; E119-F123 WeakPolarHBondContact O-CD2 3.27Å; E119-F123 PolarHBondContact O-N 3.2Å
120K87.5Confident84.7Confident77 Ų7769.6 Ų69.634%0.33539%0.385SS..Hα-helixtrans-58.7-35.2177.9179.7171.8167.1172.40112K96 L98 V100 L103 D122 F123 I124K96-K120 WeakPolarHBondContact O-CE 3.37Å; K96-K120 PolarHBondContact O-NZ 3.12Å; L98-K120 WeakPolarHBondContact O-CE 3.35Å; L98-K120 PolarHBondContact O-NZ 3.11Å; V100-K120 HydrophobicContact CG2-CB 3.79Å; V100-K120 HydrophobicContact CG2-CD 4.35Å; V100-K120 HydrophobicContact CG2-CG 4.04Å; L103-K120 HydrophobicContact CD1-CG 4.1Å; K120-D122 VanDerWaalsContact C-N 3.34Å; K120-F123 PolarHBondContact O-N 3.11Å; K120-I124 HydrophobicContact CG-CD1 4.01Å; K120-I124 HydrophobicContact CG-CG1 4.48Å; K120-I124 VanDerWaalsContact O-CG1 3.3Å; K120-I124 WeakPolarHBondContact O-CG1 3.22Å; K120-I124 PolarHBondContact O-N 3.37Å; K120-I124 VanDerWaalsContact O-N 3.08Å
121S89.5Confident84.7Confident68 Ų6870 Ų7048%0.47639%0.388SS..Hα-helixtrans-57.5-43.3174.334.80000112.4E119 F123 I124 A125E119-S121 WeakPolarHBondContact CB-OG 3.36Å; E119-S121 PolarHBondContact O-N 3.19Å; S121-F123 PolarHBondContact O-N 3.45Å; S121-I124 PolarHBondContact O-N 2.92Å; S121-A125 PolarHBondContact O-N 2.84Å
122D90.7Very high84.7Confident58 Ų5871.8 Ų71.831%0.3139%0.387SS..Hα-helixtrans-62.2-44.5179.2-57.3-54.1000111.3C117 S118 E119 K120 I124 A125 R126C117-D122 HydrophobicContact CB-CB 3.71Å; C117-D122 VanDerWaalsContact SG-C 3.54Å; S118-D122 PolarHBondContact N-OD2 3.12Å; E119-D122 WeakPolarHBondContact CB-OD2 3.48Å; E119-D122 PolarHBondContact N-OD2 3.43Å; E119-D122 WeakPolarHBondContact O-CB 3.44Å; E119-D122 PolarHBondContact O-N 2.95Å; E119-D122 VanDerWaalsContact O-N 3.09Å; K120-D122 VanDerWaalsContact C-N 3.34Å; D122-I124 VanDerWaalsContact C-N 3.33Å; D122-I124 PolarHBondContact O-N 3.13Å; D122-A125 PolarHBondContact O-N 2.91Å; D122-R126 WeakPolarHBondContact O-CB 3.39Å; D122-R126 PolarHBondContact O-N 3.34Å
123F90.3Very high84.7Confident5 Ų576.7 Ų76.72%0.02241%0.407CS..Hα-helixtrans-62.9-40.5177.1-72.5-78000111.9V100 L103 R104 L107 C117 E119 K120 S121 V127V100-F123 HydrophobicContact CG1-CD2 3.73Å; V100-F123 HydrophobicContact CG1-CE2 3.61Å; V100-F123 HydrophobicContact CG1-CG 4.39Å; V100-F123 HydrophobicContact CG1-CZ 4.15Å; L103-F123 HydrophobicContact CB-CB 3.86Å; L103-F123 HydrophobicContact CB-CG 4.48Å; L103-F123 HydrophobicContact CD1-CB 3.76Å; L103-F123 HydrophobicContact CG-CB 4.43Å; R104-F123 HydrophobicContact CB-CE1 4.37Å; L107-F123 HydrophobicContact CD1-CD1 3.9Å; L107-F123 HydrophobicContact CD1-CE1 4.49Å; C117-F123 HydrophobicContact CB-CD1 3.83Å; C117-F123 HydrophobicContact CB-CD2 3.85Å; C117-F123 HydrophobicContact CB-CE1 3.6Å; C117-F123 HydrophobicContact CB-CE2 3.6Å; C117-F123 HydrophobicContact CB-CG 3.94Å; C117-F123 HydrophobicContact CB-CZ 3.45Å; C117-F123 VanDerWaalsContact CB-CZ 3.45Å; C117-F123 WeakPolarHBondContact O-CE2 3.21Å; C117-F123 WeakPolarHBondContact O-CZ 3.34Å; E119-F123 WeakPolarHBondContact O-CD2 3.27Å; E119-F123 PolarHBondContact O-N 3.2Å; K120-F123 PolarHBondContact O-N 3.11Å; S121-F123 PolarHBondContact O-N 3.45Å; F123-V127 WeakPolarHBondContact O-CB 3.18Å; F123-V127 VanDerWaalsContact O-CG2 3.25Å; F123-V127 WeakPolarHBondContact O-CG2 3.47Å; F123-V127 PolarHBondContact O-N 3.43Å
124I90.9Very high84.8Confident22 Ų2275.7 Ų75.711%0.11340%0.396CS..Hα-helixtrans-63.8-50.1177.5-67.2169.3000109.9L95 K96 L103 K120 S121 D122 R126 V127 E128L95-I124 HydrophobicContact CB-CG1 4.16Å; L95-I124 HydrophobicContact CB-CG2 3.91Å; L95-I124 HydrophobicContact CD1-CG2 4.07Å; K96-I124 HydrophobicContact CG-CD1 4.23Å; L103-I124 HydrophobicContact CD1-CD1 4.49Å; L103-I124 HydrophobicContact CD1-CG1 3.67Å; L103-I124 HydrophobicContact CD2-CG1 4.33Å; K120-I124 HydrophobicContact CG-CD1 4.01Å; K120-I124 HydrophobicContact CG-CG1 4.48Å; K120-I124 VanDerWaalsContact O-CG1 3.3Å; K120-I124 WeakPolarHBondContact O-CG1 3.22Å; K120-I124 PolarHBondContact O-N 3.37Å; K120-I124 VanDerWaalsContact O-N 3.08Å; S121-I124 PolarHBondContact O-N 2.92Å; D122-I124 VanDerWaalsContact C-N 3.33Å; D122-I124 PolarHBondContact O-N 3.13Å; I124-R126 VanDerWaalsContact C-N 3.3Å; I124-R126 PolarHBondContact O-N 2.93Å; I124-V127 PolarHBondContact O-N 3.28Å; I124-V127 VanDerWaalsContact O-N 3.12Å; I124-E128 HydrophobicContact CG2-CG 4.39Å; I124-E128 WeakPolarHBondContact O-CG 3.42Å; I124-E128 PolarHBondContact O-N 3.11Å
125A89.7Confident84.6Confident58 Ų5875.1 Ų75.148%0.47939%0.392SS..Hα-helixtrans-58.3-42.8-179.700000111.8S121 D122 E128 E129S121-A125 PolarHBondContact O-N 2.84Å; D122-A125 PolarHBondContact O-N 2.91Å; A125-E128 PolarHBondContact O-N 2.96Å; A125-E129 WeakPolarHBondContact O-CB 3.46Å; A125-E129 PolarHBondContact O-N 3.46Å
126R89.3Confident84.1Confident75 Ų7574.8 Ų74.828%0.28339%0.39SS..Hα-helixtrans-65.7-39.3177.1-173.757.1178.6-179.80.2112.4L107 E112 C114 D122 I124 E129 L130L107-R126 HydrophobicContact CD1-CG 4.25Å; L107-R126 HydrophobicContact CD2-CG 3.87Å; E112-R126 IonicContact OE2-CZ 2.75Å; E112-R126 IonicContact OE2-NE 2.7Å; E112-R126 IonicContact OE2-NH2 2.72Å; E112-R126 PolarHBondContact OE2-NH2 3.45Å; C114-R126 HydrophobicContact CB-CG 4.36Å; D122-R126 WeakPolarHBondContact O-CB 3.39Å; D122-R126 PolarHBondContact O-N 3.34Å; I124-R126 VanDerWaalsContact C-N 3.3Å; I124-R126 PolarHBondContact O-N 2.93Å; R126-E129 IonicContact CZ-OE1 2.68Å; R126-E129 IonicContact NH1-OE1 3.63Å; R126-E129 PolarHBondContact NH1-OE1 3.3Å; R126-L130 HydrophobicContact CG-CD1 4.01Å; R126-L130 WeakPolarHBondContact O-CB 3.44Å; R126-L130 WeakPolarHBondContact O-CG 3.36Å; R126-L130 PolarHBondContact O-N 3.32Å; R126-L130 VanDerWaalsContact O-N 3.15Å
127V89Confident82.9Confident0 Ų077 Ų770%039%0.386CS..Hα-helixtrans-65.7-41.6175.3169.40000111W90 L95 L103 I106 L107 W110 F123 I124 L130 K131W90-V127 HydrophobicContact CH2-CG1 3.97Å; W90-V127 HydrophobicContact CZ3-CG1 3.86Å; L95-V127 HydrophobicContact CD1-CB 4.41Å; L95-V127 HydrophobicContact CD1-CG1 3.91Å; L95-V127 HydrophobicContact CD2-CG1 3.97Å; L103-V127 HydrophobicContact CD2-CG2 4.34Å; I106-V127 HydrophobicContact CB-CG2 4.43Å; I106-V127 HydrophobicContact CG2-CG1 4.13Å; I106-V127 HydrophobicContact CG2-CG2 4.09Å; L107-V127 HydrophobicContact CD1-CG2 4.47Å; L107-V127 HydrophobicContact CD2-CG2 3.75Å; L107-V127 HydrophobicContact CG-CG2 3.9Å; W110-V127 HydrophobicContact CH2-CG1 3.9Å; W110-V127 HydrophobicContact CZ3-CB 4.42Å; W110-V127 HydrophobicContact CZ3-CG1 4.04Å; F123-V127 WeakPolarHBondContact O-CB 3.18Å; F123-V127 VanDerWaalsContact O-CG2 3.25Å; F123-V127 WeakPolarHBondContact O-CG2 3.47Å; F123-V127 PolarHBondContact O-N 3.43Å; I124-V127 PolarHBondContact O-N 3.28Å; I124-V127 VanDerWaalsContact O-N 3.12Å; V127-L130 PolarHBondContact O-N 3.47Å; V127-K131 WeakPolarHBondContact O-CA 3.46Å; V127-K131 VanDerWaalsContact O-CB 3.31Å; V127-K131 WeakPolarHBondContact O-CB 3.45Å; V127-K131 PolarHBondContact O-N 2.93Å
128E88Confident81.1Confident117 Ų11784.2 Ų84.255%0.54742%0.418SS..Hα-helixtrans-65.3-39.8177.5-71.4-172138.700112.7L95 I124 A125 L130 K131 P132L95-E128 HydrophobicContact CD1-CG 3.47Å; L95-E128 VanDerWaalsContact CD1-CG 3.47Å; I124-E128 HydrophobicContact CG2-CG 4.39Å; I124-E128 WeakPolarHBondContact O-CG 3.42Å; I124-E128 PolarHBondContact O-N 3.11Å; A125-E128 PolarHBondContact O-N 2.96Å; E128-L130 VanDerWaalsContact C-N 3.34Å; E128-L130 PolarHBondContact O-N 3.34Å; E128-K131 WeakPolarHBondContact O-CB 3.4Å; E128-K131 PolarHBondContact O-N 3.47Å; E128-P132 VanDerWaalsContact O-CD 3.29Å; E128-P132 WeakPolarHBondContact O-CD 3.03Å
129E87.7Confident78.7Confident112 Ų11289.9 Ų89.952%0.52344%0.438SS..Hα-helixtrans-64.3-38.4176.6-172.6-171.882.600112.3A125 R126 P132A125-E129 WeakPolarHBondContact O-CB 3.46Å; A125-E129 PolarHBondContact O-N 3.46Å; R126-E129 IonicContact CZ-OE1 2.68Å; R126-E129 IonicContact NH1-OE1 3.63Å; R126-E129 PolarHBondContact NH1-OE1 3.3Å; E129-P132 WeakPolarHBondContact O-CD 3.49Å
130L87.3Confident78.3Confident0 Ų088.2 Ų88.20%043%0.431CS..Hα-helixtrans-86.8-22.2-179-71.3172.2000113.3L107 W110 E112 R126 V127 E128 K133 H134L107-L130 HydrophobicContact CD2-CD1 3.68Å; W110-L130 HydrophobicContact CE3-CB 3.75Å; W110-L130 HydrophobicContact CE3-CD1 4.26Å; W110-L130 HydrophobicContact CZ3-CB 3.6Å; E112-L130 HydrophobicContact CB-CD1 3.71Å; E112-L130 HydrophobicContact CG-CD1 3.55Å; E112-L130 HydrophobicContact CG-CD2 4.21Å; R126-L130 HydrophobicContact CG-CD1 4.01Å; R126-L130 WeakPolarHBondContact O-CB 3.44Å; R126-L130 WeakPolarHBondContact O-CG 3.36Å; R126-L130 PolarHBondContact O-N 3.32Å; R126-L130 VanDerWaalsContact O-N 3.15Å; V127-L130 PolarHBondContact O-N 3.47Å; E128-L130 VanDerWaalsContact C-N 3.34Å; E128-L130 PolarHBondContact O-N 3.34Å; L130-K133 HydrophobicContact CD2-CD 4.31Å; L130-K133 WeakPolarHBondContact O-CA 3.17Å; L130-K133 WeakPolarHBondContact O-CB 3.14Å; L130-K133 PolarHBondContact O-N 3.47Å; L130-H134 PolarHBondContact O-CD2 2.91Å; L130-H134 PolarHBondContact O-N 3.2Å; L130-H134 VanDerWaalsContact O-N 3.16Å
131K83.2Confident77.9Confident55 Ų5588.7 Ų88.724%0.23944%0.436CS..Hα-helixtrans-43.8-53.7177.8-175.6-176.2-179.6-1750112.6W90 W110 V127 E128 K133 H134 V135W90-K131 HydrophobicContact CE3-CD 4.16Å; W90-K131 HydrophobicContact CE3-CG 4.2Å; W90-K131 PolarHBondContact O-NZ 2.98Å; W110-K131 HydrophobicContact CH2-CB 4.44Å; V127-K131 WeakPolarHBondContact O-CA 3.46Å; V127-K131 VanDerWaalsContact O-CB 3.31Å; V127-K131 WeakPolarHBondContact O-CB 3.45Å; V127-K131 PolarHBondContact O-N 2.93Å; E128-K131 WeakPolarHBondContact O-CB 3.4Å; E128-K131 PolarHBondContact O-N 3.47Å; K131-K133 PolarHBondContact O-N 2.9Å; K131-H134 PolarHBondContact O-N 3.2Å; K131-V135 HydrophobicContact CG-CB 4.17Å; K131-V135 HydrophobicContact CG-CG2 4Å; K131-V135 WeakPolarHBondContact O-CA 3.42Å; K131-V135 WeakPolarHBondContact O-CB 3.43Å; K131-V135 PolarHBondContact O-N 2.65Å
132P81.8Confident77.2Confident103 Ų10389.9 Ų89.967%0.66943%0.434SS*.Hα-helixtrans-65.8-20-178.925.9-35.8000114.4E128 E129E128-P132 VanDerWaalsContact O-CD 3.29Å; E128-P132 WeakPolarHBondContact O-CD 3.03Å; E129-P132 WeakPolarHBondContact O-CD 3.49Å
133K80.7Confident76.4Confident159 Ų15991.8 Ų91.869%0.69144%0.441SS*.Hα-helixtrans-82.8-36.2178-65.7-176.7-179.4175.10112.6L130 K131L130-K133 HydrophobicContact CD2-CD 4.31Å; L130-K133 WeakPolarHBondContact O-CA 3.17Å; L130-K133 WeakPolarHBondContact O-CB 3.14Å; L130-K133 PolarHBondContact O-N 3.47Å; K131-K133 PolarHBondContact O-N 2.9Å
134H78.5Confident75.6Confident73 Ų7397.2 Ų97.234%0.33847%0.468SS..Hα-helixtrans-105.3-25.1-173.1-65.3-84.9000113.8W110 L130 K131W110-H134 AromaticContact CD1-CG 3.82Å; W110-H134 AromaticContact CD1-ND1 3.95Å; W110-H134 HydrophobicContact CD2-CB 3.67Å; W110-H134 AromaticContact CD2-CD2 3.86Å; W110-H134 AromaticContact CD2-CG 3.7Å; W110-H134 VanDerWaalsContact CE2-CB 3.49Å; W110-H134 HydrophobicContact CE3-CB 4.37Å; W110-H134 AromaticContact CE3-CD2 3.94Å; W110-H134 HydrophobicContact CG-CB 3.78Å; W110-H134 AromaticContact CG-CD2 3.93Å; W110-H134 AromaticContact CG-CG 3.53Å; W110-H134 AromaticContact CG-ND1 3.72Å; W110-H134 HydrophobicContact CZ2-CB 4.04Å; W110-H134 PolarHBondContact O-CE1 3.08Å; L130-H134 PolarHBondContact O-CD2 2.91Å; L130-H134 PolarHBondContact O-N 3.2Å; L130-H134 VanDerWaalsContact O-N 3.16Å; K131-H134 PolarHBondContact O-N 3.2Å
135V73.9Confident74.5Confident22 Ų22102.2 Ų102.213%0.13349%0.491CS..  trans-102.8102.6179-173.70000107.7W90 W110 K131 E137W90-V135 HydrophobicContact CB-CG1 3.78Å; W90-V135 HydrophobicContact CD2-CG1 4.27Å; W90-V135 HydrophobicContact CD2-CG2 3.66Å; W90-V135 VanDerWaalsContact CE2-CG2 3.46Å; W90-V135 HydrophobicContact CE3-CG2 4.32Å; W90-V135 HydrophobicContact CG-CB 4.3Å; W90-V135 HydrophobicContact CG-CG1 3.53Å; W90-V135 HydrophobicContact CG-CG2 3.83Å; W90-V135 HydrophobicContact CZ2-CG2 3.99Å; W110-V135 HydrophobicContact CH2-CG2 4.35Å; W110-V135 HydrophobicContact CZ2-CG2 3.69Å; K131-V135 HydrophobicContact CG-CB 4.17Å; K131-V135 HydrophobicContact CG-CG2 4Å; K131-V135 WeakPolarHBondContact O-CA 3.42Å; K131-V135 WeakPolarHBondContact O-CB 3.43Å; K131-V135 PolarHBondContact O-N 2.65Å; V135-E137 PolarHBondContact O-N 3Å
136R61.6Low73.5Confident230 Ų230105.4 Ų105.487%0.86849%0.492SS*.  trans-71.5110.1164.6-67-175180174.80.3106.8E138R136-E138 VanDerWaalsContact C-N 3.35Å; R136-E138 PolarHBondContact O-N 3.49Å
137E52.9Low72.2Confident138 Ų138107.7 Ų107.765%0.64551%0.508SS*.  trans-65.8100.1172.3-151.5162.598.600106.8V135 L139V135-E137 PolarHBondContact O-N 3Å; E137-L139 PolarHBondContact O-N 3.29Å
138E43.3Very low70.8Confident167 Ų167116.7 Ų116.778%0.7855%0.551SS**  trans-66104.3167.8-50.8-165.7109.500105.4K91 R136K91-E138 WeakPolarHBondContact CE-O 3.33Å; K91-E138 PolarHBondContact NZ-O 2.64Å; R136-E138 VanDerWaalsContact C-N 3.35Å; R136-E138 PolarHBondContact O-N 3.49Å
139L31.2Very low69.3Low224 Ų224116.6 Ų116.6100%1.17355%0.551SS**  trans-44.20174.2-86.3147.5000109.8K91 E137K91-L139 PolarHBondContact NZ-OXT 3.47Å; K91-L139 VanDerWaalsContact NZ-OXT 3.08Å; E137-L139 PolarHBondContact O-N 3.29Å

Retrieved 139 of 139 residues in 421.7 ms (Link to these results)

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