A0A5K4FB26_SCHMA Loading...

CCR4-NOT transcription complex subunit 10

Component of the CCR4-NOT complex which is one of the major cellular mRNA deadenylases and is linked to various cellular processes including bulk mRNA degradation, miRNA-mediated repression, translational repression during translational initiation and general transcription regulation.

AlphaFold DB , UniProt , Accession A0A5K4FB26, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,065 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M48.9Very low76.1Confident171 Ų171101.9 Ų101.984%0.84251%0.514SS*.  0-72.50-67.5-70.288.800113.2E4 V5M1-E4 WeakPolarHBondContact CA-OE2 3.24Å; M1-E4 WeakPolarHBondContact CE-OE2 3.5Å; M1-E4 PolarHBondContact N-OE2 3.38Å; M1-V5 VanDerWaalsContact O-CG2 3.27Å; M1-V5 WeakPolarHBondContact O-CG2 3.21Å; M1-V5 PolarHBondContact O-N 3.48Å
2S62.5Low77.1Confident104 Ų10499.9 Ų99.973%0.72751%0.505SS*.Hα-helixtrans-66.3-42.9-178.749.10000113.4A6S2-A6 PolarHBondContact O-N 3.49Å; S2-A6 VanDerWaalsContact O-N 3.12Å
3E70.9Confident77.9Confident164 Ų16497.5 Ų97.577%0.76650%0.502SS*.Hα-helixtrans-66-43.3176.9-71.6-177.9166.500112.7V5 A6 E7E3-V5 PolarHBondContact O-N 3.33Å; E3-A6 PolarHBondContact O-N 2.8Å; E3-E7 WeakPolarHBondContact O-CB 3.32Å; E3-E7 PolarHBondContact O-N 2.88Å
4E68.7Low78.8Confident97 Ų9795.2 Ų95.245%0.45349%0.488SS..Hα-helixtrans-61.4-41.4178.1-71.9163.8141.600112.3M1 E7 D8 R37M1-E4 WeakPolarHBondContact CA-OE2 3.24Å; M1-E4 WeakPolarHBondContact CE-OE2 3.5Å; M1-E4 PolarHBondContact N-OE2 3.38Å; E4-E7 PolarHBondContact O-N 3.33Å; E4-D8 WeakPolarHBondContact O-CB 3.43Å; E4-D8 PolarHBondContact O-N 3.1Å; E4-R37 PolarHBondContact O-NH2 2.85Å
5V74.4Confident79.4Confident75 Ų7589.1 Ų89.146%0.45546%0.458SS..Hα-helixtrans-68.2-36.5177.1172.90000111.4M1 E3 K9M1-V5 VanDerWaalsContact O-CG2 3.27Å; M1-V5 WeakPolarHBondContact O-CG2 3.21Å; M1-V5 PolarHBondContact O-N 3.48Å; E3-V5 PolarHBondContact O-N 3.33Å; V5-K9 WeakPolarHBondContact O-CG 3.32Å; V5-K9 PolarHBondContact O-N 3.19Å; V5-K9 VanDerWaalsContact O-N 3.08Å
6A79.4Confident79.9Confident59 Ų5986.2 Ų86.249%0.48845%0.451SS..Hα-helixtrans-66.4-41.9175.900000111.4S2 E3 K9 R10S2-A6 PolarHBondContact O-N 3.49Å; S2-A6 VanDerWaalsContact O-N 3.12Å; E3-A6 PolarHBondContact O-N 2.8Å; A6-K9 PolarHBondContact O-N 2.94Å; A6-R10 PolarHBondContact O-N 3.08Å
7E84.2Confident80.5Confident93 Ų9382.9 Ų82.944%0.43544%0.437SS..Hα-helixtrans-67.6-40.4177-168-178.9-17200112E3 E4 K9 R10 L11 R37E3-E7 WeakPolarHBondContact O-CB 3.32Å; E3-E7 PolarHBondContact O-N 2.88Å; E4-E7 PolarHBondContact O-N 3.33Å; E7-K9 PolarHBondContact O-N 2.82Å; E7-R10 WeakPolarHBondContact O-CB 2.96Å; E7-R10 PolarHBondContact O-N 3.21Å; E7-L11 WeakPolarHBondContact O-CG 3.42Å; E7-L11 PolarHBondContact O-N 2.9Å; E7-R37 IonicContact OE1-NH1 3.77Å; E7-R37 PolarHBondContact OE1-NH1 2.8Å; E7-R37 IonicContact OE2-CZ 3.96Å; E7-R37 IonicContact OE2-NH1 2.79Å; E7-R37 PolarHBondContact OE2-NH1 3.49Å; E7-R37 IonicContact OE2-NH2 2.69Å; E7-R37 PolarHBondContact OE2-NH2 3.43Å
8D85.2Confident80.9Confident19 Ų1978.3 Ų78.310%0.10241%0.413CS..Hα-helixtrans-61.5-43.1174.6-72.9-8.3000112E4 R10 L11 I12 R37 K38E4-D8 WeakPolarHBondContact O-CB 3.43Å; E4-D8 PolarHBondContact O-N 3.1Å; D8-R10 VanDerWaalsContact C-N 3.31Å; D8-R10 PolarHBondContact O-N 3.39Å; D8-L11 PolarHBondContact O-N 2.82Å; D8-I12 WeakPolarHBondContact O-CD1 3.25Å; D8-I12 VanDerWaalsContact O-CG1 3.22Å; D8-I12 WeakPolarHBondContact O-CG1 3.3Å; D8-I12 PolarHBondContact O-N 3.33Å; D8-R37 IonicContact OD1-CZ 3.4Å; D8-R37 IonicContact OD1-NE 2.83Å; D8-R37 PolarHBondContact OD1-NE 3.08Å; D8-R37 IonicContact OD1-NH2 3.15Å; D8-R37 PolarHBondContact OD1-NH2 3.11Å; D8-K38 WeakPolarHBondContact OD2-CE 3.32Å; D8-K38 IonicContact OD2-NZ 3.69Å
9K85.7Confident81.1Confident145 Ų14581.3 Ų81.363%0.6342%0.419SS*.Hα-helixtrans-62.4-40.1175.2-76.3-179.1179.3-174.70111.6V5 A6 E7 I12 S13V5-K9 WeakPolarHBondContact O-CG 3.32Å; V5-K9 PolarHBondContact O-N 3.19Å; V5-K9 VanDerWaalsContact O-N 3.08Å; A6-K9 PolarHBondContact O-N 2.94Å; E7-K9 PolarHBondContact O-N 2.82Å; K9-I12 PolarHBondContact O-N 2.98Å; K9-S13 PolarHBondContact O-N 3.29Å; K9-S13 PolarHBondContact O-OG 3.34Å
10R88.1Confident81.2Confident177 Ų17786.2 Ų86.267%0.66843%0.432SS*.Hα-helixtrans-63.1-45.1175.2-176.8-175.7174.8-177.70.8111.7A6 E7 D8 I12 S13 E14A6-R10 PolarHBondContact O-N 3.08Å; E7-R10 WeakPolarHBondContact O-CB 2.96Å; E7-R10 PolarHBondContact O-N 3.21Å; D8-R10 VanDerWaalsContact C-N 3.31Å; D8-R10 PolarHBondContact O-N 3.39Å; R10-I12 VanDerWaalsContact C-N 3.34Å; R10-I12 PolarHBondContact O-N 3Å; R10-S13 PolarHBondContact O-N 2.91Å; R10-S13 PolarHBondContact O-OG 3.36Å; R10-E14 VanDerWaalsContact O-CB 3.24Å; R10-E14 WeakPolarHBondContact O-CB 3.5Å; R10-E14 PolarHBondContact O-N 3.2Å
11L88.6Confident81.3Confident17 Ų1789.7 Ų89.79%0.08944%0.44CS..Hα-helixtrans-64.9-38177.5-71.1172.5000111.9E7 D8 A15 I30 L34E7-L11 WeakPolarHBondContact O-CG 3.42Å; E7-L11 PolarHBondContact O-N 2.9Å; D8-L11 PolarHBondContact O-N 2.82Å; L11-A15 WeakPolarHBondContact O-CB 3.3Å; L11-A15 PolarHBondContact O-N 3.4Å; L11-I30 HydrophobicContact CB-CG2 4.19Å; L11-I30 HydrophobicContact CD2-CG2 4.1Å; L11-I30 VanDerWaalsContact O-CG2 3.31Å; L11-I30 WeakPolarHBondContact O-CG2 3.42Å; L11-L34 HydrophobicContact CB-CD1 4.16Å; L11-L34 HydrophobicContact CB-CD2 3.68Å; L11-L34 HydrophobicContact CB-CG 3.88Å; L11-L34 HydrophobicContact CD1-CD2 4.12Å; L11-L34 HydrophobicContact CD1-CG 4.4Å
12I88.1Confident82.8Confident78 Ų7884.3 Ų84.340%0.441%0.412SS..Hα-helixtrans-64.6-46.3175.9-69.3164000110.9D8 K9 R10 E14 A15 A16 L34D8-I12 WeakPolarHBondContact O-CD1 3.25Å; D8-I12 VanDerWaalsContact O-CG1 3.22Å; D8-I12 WeakPolarHBondContact O-CG1 3.3Å; D8-I12 PolarHBondContact O-N 3.33Å; K9-I12 PolarHBondContact O-N 2.98Å; R10-I12 VanDerWaalsContact C-N 3.34Å; R10-I12 PolarHBondContact O-N 3Å; I12-E14 VanDerWaalsContact C-N 3.34Å; I12-A15 PolarHBondContact O-N 3.41Å; I12-A16 WeakPolarHBondContact O-CB 3.32Å; I12-A16 PolarHBondContact O-N 3.05Å; I12-L34 HydrophobicContact CG1-CD1 4.05Å; I12-L34 HydrophobicContact CG1-CD2 4.09Å
13S88.6Confident84Confident68 Ų6881.7 Ų81.748%0.47639%0.39SS..Hα-helixtrans-67.7-36.1178.564.50000112.2K9 R10 A16 S17K9-S13 PolarHBondContact O-N 3.29Å; K9-S13 PolarHBondContact O-OG 3.34Å; R10-S13 PolarHBondContact O-N 2.91Å; R10-S13 PolarHBondContact O-OG 3.36Å; S13-A16 PolarHBondContact O-N 3.41Å; S13-S17 WeakPolarHBondContact O-CB 3.21Å; S13-S17 PolarHBondContact O-N 3.42Å
14E90Very high84.8Confident66 Ų6675 Ų7531%0.30836%0.358SS..Hα-helixtrans-64.2-48174.2-163.9-179.617100110.9R10 I12 A16 S17 C18 I30R10-E14 VanDerWaalsContact O-CB 3.24Å; R10-E14 WeakPolarHBondContact O-CB 3.5Å; R10-E14 PolarHBondContact O-N 3.2Å; I12-E14 VanDerWaalsContact C-N 3.34Å; E14-A16 PolarHBondContact O-N 3.21Å; E14-S17 CarbonylContact O-C 3.42Å; E14-S17 WeakPolarHBondContact O-CA 3.43Å; E14-S17 WeakPolarHBondContact O-CB 3.42Å; E14-S17 PolarHBondContact O-N 3.25Å; E14-S17 VanDerWaalsContact O-N 3.07Å; E14-C18 PolarHBondContact O-N 3.16Å; E14-C18 PolarHBondContact O-SG 3.48Å; E14-I30 HydrophobicContact CB-CD1 4.16Å; E14-I30 HydrophobicContact CG-CD1 3.65Å
15A88.4Confident85.8Confident3 Ų376.6 Ų76.63%0.02537%0.366CS..Hα-helixtrans-60.2-43.6175.800000112.2L11 I12 S17 C18 Y19 C27 I30 M31L11-A15 WeakPolarHBondContact O-CB 3.3Å; L11-A15 PolarHBondContact O-N 3.4Å; I12-A15 PolarHBondContact O-N 3.41Å; A15-S17 VanDerWaalsContact C-N 3.28Å; A15-S17 PolarHBondContact O-N 3.04Å; A15-C18 PolarHBondContact O-N 3.33Å; A15-Y19 WeakPolarHBondContact O-CB 3.39Å; A15-Y19 PolarHBondContact O-N 3.41Å; A15-C27 PolarHBondContact O-SG 3.03Å; A15-C27 VanDerWaalsContact O-SG 3.35Å; A15-I30 HydrophobicContact CB-CB 4.24Å; A15-I30 HydrophobicContact CB-CG2 3.75Å; A15-M31 HydrophobicContact CB-CE 3.27Å
16A87.1Confident86.5Confident43 Ų4376.5 Ų76.536%0.35536%0.36SS..Hα-helixtrans-63.5-34.5175.100000112.1I12 S13 E14 R20I12-A16 WeakPolarHBondContact O-CB 3.32Å; I12-A16 PolarHBondContact O-N 3.05Å; S13-A16 PolarHBondContact O-N 3.41Å; E14-A16 PolarHBondContact O-N 3.21Å; A16-R20 WeakPolarHBondContact O-CB 3.23Å; A16-R20 VanDerWaalsContact O-CG 3.3Å; A16-R20 WeakPolarHBondContact O-CG 3.23Å; A16-R20 PolarHBondContact O-N 3.01Å; A16-R20 PolarHBondContact O-NE 3.32Å
17S89.5Confident87Confident30 Ų3074 Ų7421%0.2134%0.339CS..Hα-helixtrans-69.7-46174.3-158.20000111.7S13 E14 A15 Y19 R20 R21S13-S17 WeakPolarHBondContact O-CB 3.21Å; S13-S17 PolarHBondContact O-N 3.42Å; E14-S17 CarbonylContact O-C 3.42Å; E14-S17 WeakPolarHBondContact O-CA 3.43Å; E14-S17 WeakPolarHBondContact O-CB 3.42Å; E14-S17 PolarHBondContact O-N 3.25Å; E14-S17 VanDerWaalsContact O-N 3.07Å; A15-S17 VanDerWaalsContact C-N 3.28Å; A15-S17 PolarHBondContact O-N 3.04Å; S17-Y19 VanDerWaalsContact C-N 3.34Å; S17-Y19 PolarHBondContact O-N 3.33Å; S17-R20 PolarHBondContact O-N 3.45Å; S17-R21 WeakPolarHBondContact O-CB 3.36Å; S17-R21 VanDerWaalsContact O-CG 3.31Å; S17-R21 WeakPolarHBondContact O-CG 3.07Å; S17-R21 PolarHBondContact O-N 3.49Å; S17-R21 VanDerWaalsContact OG-CZ 3.28Å; S17-R21 PolarHBondContact OG-NE 2.89Å; S17-R21 PolarHBondContact OG-NH2 3.31Å
18C88Confident87.2Confident0 Ų070.9 Ų70.90%033%0.325CS..Hα-helixtrans-59.2-44.4175.1-65.80000111.3E14 A15 R20 R21 K22 D23 Q26 C27 I30E14-C18 PolarHBondContact O-N 3.16Å; E14-C18 PolarHBondContact O-SG 3.48Å; A15-C18 PolarHBondContact O-N 3.33Å; C18-R20 PolarHBondContact O-N 2.87Å; C18-R21 CarbonylContact O-C 3.53Å; C18-R21 PolarHBondContact O-N 3.31Å; C18-K22 PolarHBondContact O-N 3.28Å; C18-K22 VanDerWaalsContact O-N 3.1Å; C18-D23 HydrophobicContact CB-CB 4.46Å; C18-D23 PolarHBondContact O-N 2.96Å; C18-Q26 PolarHBondContact SG-OE1 3.29Å; C18-C27 HydrophobicContact CB-CB 3.77Å; C18-I30 HydrophobicContact CB-CD1 4.48Å; C18-I30 VanDerWaalsContact SG-CD1 3.57Å
19Y84.2Confident87.5Confident136 Ų13673 Ų7353%0.53334%0.341SS..Hα-helixtrans-58.8-47.8173.9-174.4-93.6000111.8A15 S17 R21 K22 F24A15-Y19 WeakPolarHBondContact O-CB 3.39Å; A15-Y19 PolarHBondContact O-N 3.41Å; S17-Y19 VanDerWaalsContact C-N 3.34Å; S17-Y19 PolarHBondContact O-N 3.33Å; Y19-R21 VanDerWaalsContact C-N 3.29Å; Y19-R21 PolarHBondContact O-N 3.28Å; Y19-K22 PolarHBondContact O-N 3.01Å; Y19-F24 HydrophobicContact CD2-CD1 4.24Å; Y19-F24 AromaticContact CD2-CE1 3.87Å; Y19-F24 HydrophobicContact CD2-CE1 3.87Å; Y19-F24 HydrophobicContact CE2-CD1 4.48Å; Y19-F24 AromaticContact CE2-CE1 3.89Å; Y19-F24 HydrophobicContact CE2-CE1 3.89Å
20R83.9Confident87.7Confident179 Ų17966.2 Ų66.268%0.67531%0.312SS*.Hα-helixtrans-62-34.1176.6-77.8-174.4-75.5-168.6-0.3113.1A16 S17 C18 K22A16-R20 WeakPolarHBondContact O-CB 3.23Å; A16-R20 VanDerWaalsContact O-CG 3.3Å; A16-R20 WeakPolarHBondContact O-CG 3.23Å; A16-R20 PolarHBondContact O-N 3.01Å; A16-R20 PolarHBondContact O-NE 3.32Å; S17-R20 PolarHBondContact O-N 3.45Å; C18-R20 PolarHBondContact O-N 2.87Å; R20-K22 PolarHBondContact O-N 3.28Å
21R83.9Confident87.8Confident159 Ų15958.7 Ų58.760%0.629%0.285SS*.THydrogen-bonded Turntrans-78.4-2.2174.1-66.8179.1-147.7146.80.4113.6S17 C18 Y19 D23S17-R21 WeakPolarHBondContact O-CB 3.36Å; S17-R21 VanDerWaalsContact O-CG 3.31Å; S17-R21 WeakPolarHBondContact O-CG 3.07Å; S17-R21 PolarHBondContact O-N 3.49Å; S17-R21 VanDerWaalsContact OG-CZ 3.28Å; S17-R21 PolarHBondContact OG-NE 2.89Å; S17-R21 PolarHBondContact OG-NH2 3.31Å; C18-R21 CarbonylContact O-C 3.53Å; C18-R21 PolarHBondContact O-N 3.31Å; Y19-R21 VanDerWaalsContact C-N 3.29Å; Y19-R21 PolarHBondContact O-N 3.28Å; R21-D23 PolarHBondContact O-N 3.47Å
22K80Confident87.9Confident59 Ų5961.6 Ų61.626%0.25730%0.298SS..THydrogen-bonded Turntrans61.421.5-172.4-53169170178.10114.4C18 Y19 R20 F24 N1041C18-K22 PolarHBondContact O-N 3.28Å; C18-K22 VanDerWaalsContact O-N 3.1Å; Y19-K22 PolarHBondContact O-N 3.01Å; R20-K22 PolarHBondContact O-N 3.28Å; K22-F24 VanDerWaalsContact C-N 3.32Å; K22-F24 HydrophobicContact CB-CE2 3.77Å; K22-F24 HydrophobicContact CB-CZ 3.92Å; K22-F24 HydrophobicContact CG-CE2 4.49Å; K22-F24 HydrophobicContact CG-CZ 4.3Å; K22-F24 VanDerWaalsContact O-CD2 3.26Å; K22-F24 WeakPolarHBondContact O-CD2 3.3Å; K22-F24 VanDerWaalsContact O-CE2 3.3Å; K22-F24 WeakPolarHBondContact O-CE2 3.3Å; K22-F24 PolarHBondContact O-N 3.03Å; K22-F24 VanDerWaalsContact O-N 3.14Å; K22-N1041 VanDerWaalsContact CE-CB 3.42Å; K22-N1041 WeakPolarHBondContact CE-ND2 3.26Å; K22-N1041 WeakPolarHBondContact CE-OD1 3.27Å; K22-N1041 PolarHBondContact NZ-ND2 3.44Å
23D87.3Confident88Confident48 Ų4863.3 Ų63.326%0.25730%0.302SS..  trans-86.777.7173-168.6-15.1000109.2C18 R21 E25 Q26 C27C18-D23 HydrophobicContact CB-CB 4.46Å; C18-D23 PolarHBondContact O-N 2.96Å; R21-D23 PolarHBondContact O-N 3.47Å; D23-E25 VanDerWaalsContact C-N 3.33Å; D23-Q26 HydrophobicContact CB-CB 4.35Å; D23-Q26 VanDerWaalsContact CG-CB 3.43Å; D23-Q26 WeakPolarHBondContact OD1-CB 3.21Å; D23-Q26 PolarHBondContact OD1-N 3.31Å; D23-Q26 VanDerWaalsContact OD1-N 3.08Å; D23-Q26 WeakPolarHBondContact OD2-CB 3.25Å; D23-Q26 PolarHBondContact OD2-OE1 3.13Å; D23-C27 WeakPolarHBondContact O-CB 3.27Å; D23-C27 PolarHBondContact O-N 3.34Å
24F87.7Confident88.1Confident24 Ų2460.1 Ų60.111%0.10528%0.28CS..Hα-helixtrans-71.7-28.5-175.9-57.5-65.3000113.1Y19 K22 C27 L28 L51 Y55 A1040Y19-F24 HydrophobicContact CD2-CD1 4.24Å; Y19-F24 AromaticContact CD2-CE1 3.87Å; Y19-F24 HydrophobicContact CD2-CE1 3.87Å; Y19-F24 HydrophobicContact CE2-CD1 4.48Å; Y19-F24 AromaticContact CE2-CE1 3.89Å; Y19-F24 HydrophobicContact CE2-CE1 3.89Å; K22-F24 VanDerWaalsContact C-N 3.32Å; K22-F24 HydrophobicContact CB-CE2 3.77Å; K22-F24 HydrophobicContact CB-CZ 3.92Å; K22-F24 HydrophobicContact CG-CE2 4.49Å; K22-F24 HydrophobicContact CG-CZ 4.3Å; K22-F24 VanDerWaalsContact O-CD2 3.26Å; K22-F24 WeakPolarHBondContact O-CD2 3.3Å; K22-F24 VanDerWaalsContact O-CE2 3.3Å; K22-F24 WeakPolarHBondContact O-CE2 3.3Å; K22-F24 PolarHBondContact O-N 3.03Å; K22-F24 VanDerWaalsContact O-N 3.14Å; F24-C27 PolarHBondContact O-N 2.87Å; F24-L28 VanDerWaalsContact O-CB 3.24Å; F24-L28 WeakPolarHBondContact O-CB 3.35Å; F24-L28 PolarHBondContact O-N 3.41Å; F24-L51 HydrophobicContact CB-CD1 4.02Å; F24-L51 HydrophobicContact CD1-CD1 3.58Å; F24-L51 HydrophobicContact CG-CD1 4.19Å; F24-Y55 HydrophobicContact CB-CD1 4.12Å; F24-Y55 HydrophobicContact CB-CD2 3.41Å; F24-Y55 VanDerWaalsContact CB-CD2 3.41Å; F24-Y55 HydrophobicContact CB-CE2 3.93Å; F24-Y55 HydrophobicContact CB-CG 3.51Å; F24-Y55 HydrophobicContact CD2-CD2 4.03Å; F24-Y55 HydrophobicContact CG-CD2 4.06Å; F24-Y55 HydrophobicContact CG-CG 4.39Å; F24-A1040 HydrophobicContact CD2-CB 4.13Å; F24-A1040 HydrophobicContact CE1-CB 4.41Å; F24-A1040 HydrophobicContact CE2-CB 3.02Å; F24-A1040 HydrophobicContact CZ-CB 3.21Å
25E88.5Confident88Confident131 Ų13161 Ų6161%0.61228%0.283SS*.Hα-helixtrans-64.2-51.7176.2-167.7-177.3165.900110.1D23 C27 L28 S29 Y55D23-E25 VanDerWaalsContact C-N 3.33Å; E25-C27 PolarHBondContact O-N 2.86Å; E25-L28 PolarHBondContact O-N 3.19Å; E25-S29 PolarHBondContact O-N 3.29Å; E25-S29 VanDerWaalsContact O-N 3.08Å; E25-Y55 HydrophobicContact CB-CE1 4.13Å
26Q89.4Confident88Confident72 Ų7267.4 Ų67.434%0.33632%0.315SS..Hα-helixtrans-64.7-41.9176.5-166.2-177.922.800111.2C18 D23 L28 S29 I30C18-Q26 PolarHBondContact SG-OE1 3.29Å; D23-Q26 HydrophobicContact CB-CB 4.35Å; D23-Q26 VanDerWaalsContact CG-CB 3.43Å; D23-Q26 WeakPolarHBondContact OD1-CB 3.21Å; D23-Q26 PolarHBondContact OD1-N 3.31Å; D23-Q26 VanDerWaalsContact OD1-N 3.08Å; D23-Q26 WeakPolarHBondContact OD2-CB 3.25Å; D23-Q26 PolarHBondContact OD2-OE1 3.13Å; Q26-L28 VanDerWaalsContact C-N 3.31Å; Q26-L28 PolarHBondContact O-N 2.95Å; Q26-S29 WeakPolarHBondContact O-CB 3.36Å; Q26-S29 PolarHBondContact O-N 3.41Å; Q26-I30 HydrophobicContact CG-CD1 4.1Å; Q26-I30 VanDerWaalsContact O-CG1 3.3Å; Q26-I30 WeakPolarHBondContact O-CG1 3.49Å; Q26-I30 PolarHBondContact O-N 3.41Å
27C90.1Very high88Confident6 Ų669.6 Ų69.64%0.04131%0.314CS..Hα-helixtrans-58.7-42.4177.2-170.40000111.9A15 C18 D23 F24 E25 I30 M31 L51A15-C27 PolarHBondContact O-SG 3.03Å; A15-C27 VanDerWaalsContact O-SG 3.35Å; C18-C27 HydrophobicContact CB-CB 3.77Å; D23-C27 WeakPolarHBondContact O-CB 3.27Å; D23-C27 PolarHBondContact O-N 3.34Å; F24-C27 PolarHBondContact O-N 2.87Å; E25-C27 PolarHBondContact O-N 2.86Å; C27-I30 PolarHBondContact O-N 2.99Å; C27-M31 WeakPolarHBondContact O-CG 3.46Å; C27-M31 PolarHBondContact O-N 3.43Å; C27-L51 HydrophobicContact CB-CD2 3.93Å
28L89.4Confident87.8Confident28 Ų2871.1 Ų71.115%0.14732%0.317CS..Hα-helixtrans-67.6-40.8179.5-17267.2000111.3F24 E25 Q26 I30 M31 E32 K48 L51F24-L28 VanDerWaalsContact O-CB 3.24Å; F24-L28 WeakPolarHBondContact O-CB 3.35Å; F24-L28 PolarHBondContact O-N 3.41Å; E25-L28 PolarHBondContact O-N 3.19Å; Q26-L28 VanDerWaalsContact C-N 3.31Å; Q26-L28 PolarHBondContact O-N 2.95Å; L28-I30 VanDerWaalsContact C-N 3.31Å; L28-I30 PolarHBondContact O-N 3.47Å; L28-M31 WeakPolarHBondContact O-CB 3.27Å; L28-M31 PolarHBondContact O-N 3.15Å; L28-E32 PolarHBondContact O-N 3.02Å; L28-K48 HydrophobicContact CD1-CG 4.35Å; L28-L51 HydrophobicContact CB-CD2 3.79Å; L28-L51 HydrophobicContact CB-CG 4.28Å; L28-L51 HydrophobicContact CD1-CB 4.26Å; L28-L51 HydrophobicContact CD1-CD2 3.91Å; L28-L51 HydrophobicContact CD1-CG 3.99Å; L28-L51 HydrophobicContact CG-CD2 4.48Å
29S91Very high87.5Confident63 Ų6374.5 Ų74.544%0.44134%0.339SS..Hα-helixtrans-59.2-41.1173.1-176.20000112.2E25 Q26 E32 K33E25-S29 PolarHBondContact O-N 3.29Å; E25-S29 VanDerWaalsContact O-N 3.08Å; Q26-S29 WeakPolarHBondContact O-CB 3.36Å; Q26-S29 PolarHBondContact O-N 3.41Å; S29-E32 PolarHBondContact O-N 3.19Å; S29-K33 PolarHBondContact O-N 3.17Å
30I90.4Very high87.4Confident4 Ų474.5 Ų74.52%0.02135%0.348CS..Hα-helixtrans-69.1-39.8175.8-62161.4000111.1L11 E14 A15 C18 Q26 C27 L28 E32 K33 L34L11-I30 HydrophobicContact CB-CG2 4.19Å; L11-I30 HydrophobicContact CD2-CG2 4.1Å; L11-I30 VanDerWaalsContact O-CG2 3.31Å; L11-I30 WeakPolarHBondContact O-CG2 3.42Å; E14-I30 HydrophobicContact CB-CD1 4.16Å; E14-I30 HydrophobicContact CG-CD1 3.65Å; A15-I30 HydrophobicContact CB-CB 4.24Å; A15-I30 HydrophobicContact CB-CG2 3.75Å; C18-I30 HydrophobicContact CB-CD1 4.48Å; C18-I30 VanDerWaalsContact SG-CD1 3.57Å; Q26-I30 HydrophobicContact CG-CD1 4.1Å; Q26-I30 VanDerWaalsContact O-CG1 3.3Å; Q26-I30 WeakPolarHBondContact O-CG1 3.49Å; Q26-I30 PolarHBondContact O-N 3.41Å; C27-I30 PolarHBondContact O-N 2.99Å; L28-I30 VanDerWaalsContact C-N 3.31Å; L28-I30 PolarHBondContact O-N 3.47Å; I30-E32 VanDerWaalsContact C-N 3.3Å; I30-E32 PolarHBondContact O-N 3.5Å; I30-K33 WeakPolarHBondContact O-CB 3.42Å; I30-K33 PolarHBondContact O-N 3.21Å; I30-L34 HydrophobicContact CG2-CD1 4.23Å; I30-L34 PolarHBondContact O-N 3.3Å
31M90.4Very high87.6Confident18 Ų1868.3 Ų68.39%0.08933%0.328CS..Hα-helixtrans-61.3-35.9175.1-77-66.111400112.6A15 C27 L28 L34 K35 N47 K48 L51A15-M31 HydrophobicContact CB-CE 3.27Å; C27-M31 WeakPolarHBondContact O-CG 3.46Å; C27-M31 PolarHBondContact O-N 3.43Å; L28-M31 WeakPolarHBondContact O-CB 3.27Å; L28-M31 PolarHBondContact O-N 3.15Å; M31-L34 HydrophobicContact CE-CD1 3.42Å; M31-L34 VanDerWaalsContact CE-CD1 3.42Å; M31-L34 PolarHBondContact O-N 2.88Å; M31-K35 WeakPolarHBondContact O-CB 3.44Å; M31-K35 PolarHBondContact O-N 2.8Å; M31-N47 HydrophobicContact SD-CB 4.34Å; M31-K48 HydrophobicContact CB-CB 4.26Å; M31-K48 HydrophobicContact CB-CG 4.25Å; M31-L51 HydrophobicContact CG-CD2 4.14Å
32E90.4Very high87.7Confident79 Ų7961.1 Ų61.137%0.36930%0.302SS..Hα-helixtrans-63.6-45.3173-72.7-68.2-179.600112.1L28 S29 I30 L34 K35 I36 K48L28-E32 PolarHBondContact O-N 3.02Å; S29-E32 PolarHBondContact O-N 3.19Å; I30-E32 VanDerWaalsContact C-N 3.3Å; I30-E32 PolarHBondContact O-N 3.5Å; E32-L34 VanDerWaalsContact C-N 3.32Å; E32-L34 PolarHBondContact O-N 2.88Å; E32-K35 PolarHBondContact O-N 3.28Å; E32-I36 WeakPolarHBondContact O-CG1 3.46Å; E32-I36 PolarHBondContact O-N 3.48Å; E32-I36 VanDerWaalsContact O-N 3.09Å; E32-K48 WeakPolarHBondContact OE1-CE 3.42Å; E32-K48 IonicContact OE1-NZ 2.73Å; E32-K48 PolarHBondContact OE1-NZ 2.98Å; E32-K48 WeakPolarHBondContact OE2-CE 3.43Å; E32-K48 IonicContact OE2-NZ 2.89Å; E32-K48 PolarHBondContact OE2-NZ 2.8Å
33K90.6Very high88.1Confident114 Ų11464.1 Ų64.150%0.49632%0.315SS..Hα-helixtrans-59.8-43.7175.2-66.6176-175.5176.50111.2S29 I30 I36 R37S29-K33 PolarHBondContact O-N 3.17Å; I30-K33 WeakPolarHBondContact O-CB 3.42Å; I30-K33 PolarHBondContact O-N 3.21Å; K33-I36 PolarHBondContact O-N 2.9Å; K33-R37 WeakPolarHBondContact O-CG 3.33Å; K33-R37 PolarHBondContact O-N 3.03Å; K33-R37 VanDerWaalsContact O-N 3.08Å
34L89.3Confident88.1Confident0 Ų062.3 Ų62.30%031%0.306CS..Hα-helixtrans-65-38.2176.9-79.9169.4000112.6L11 I12 I30 M31 E32 I36 R37 K38 V44L11-L34 HydrophobicContact CB-CD1 4.16Å; L11-L34 HydrophobicContact CB-CD2 3.68Å; L11-L34 HydrophobicContact CB-CG 3.88Å; L11-L34 HydrophobicContact CD1-CD2 4.12Å; L11-L34 HydrophobicContact CD1-CG 4.4Å; I12-L34 HydrophobicContact CG1-CD1 4.05Å; I12-L34 HydrophobicContact CG1-CD2 4.09Å; I30-L34 HydrophobicContact CG2-CD1 4.23Å; I30-L34 PolarHBondContact O-N 3.3Å; M31-L34 HydrophobicContact CE-CD1 3.42Å; M31-L34 VanDerWaalsContact CE-CD1 3.42Å; M31-L34 PolarHBondContact O-N 2.88Å; E32-L34 VanDerWaalsContact C-N 3.32Å; E32-L34 PolarHBondContact O-N 2.88Å; L34-I36 VanDerWaalsContact C-N 3.32Å; L34-I36 PolarHBondContact O-N 3.42Å; L34-R37 PolarHBondContact O-N 3.18Å; L34-K38 WeakPolarHBondContact O-CB 3.42Å; L34-K38 PolarHBondContact O-N 3.1Å; L34-V44 HydrophobicContact CB-CG1 3.98Å
35K88.5Confident88.2Confident86 Ų8663 Ų6337%0.37431%0.309SS..Hα-helixtrans-62.6-39.1175.5-177.2-176.2174.9-1750111.8M31 E32 K38 P39 V44 K48M31-K35 WeakPolarHBondContact O-CB 3.44Å; M31-K35 PolarHBondContact O-N 2.8Å; E32-K35 PolarHBondContact O-N 3.28Å; K35-K38 CarbonylContact O-C 3.35Å; K35-P39 VanDerWaalsContact O-CA 3.25Å; K35-P39 WeakPolarHBondContact O-CA 3.44Å; K35-V44 HydrophobicContact CB-CG1 4.25Å; K35-K48 HydrophobicContact CB-CD 4.47Å; K35-K48 HydrophobicContact CD-CD 3.75Å
36I89.1Confident88.3Confident136 Ų13657.1 Ų57.170%0.69728%0.282SS*.Hα-helixtrans-67.9-42.8177.9-65.7164.8000110.7E32 K33 L34E32-I36 WeakPolarHBondContact O-CG1 3.46Å; E32-I36 PolarHBondContact O-N 3.48Å; E32-I36 VanDerWaalsContact O-N 3.09Å; K33-I36 PolarHBondContact O-N 2.9Å; L34-I36 VanDerWaalsContact C-N 3.32Å; L34-I36 PolarHBondContact O-N 3.42Å
37R86.9Confident88.4Confident89 Ų8958 Ų5834%0.33629%0.289SS..Hα-helixtrans-73-34.3-179.9-67.217668.9100.9-1.4113E4 E7 D8 K33 L34 P39E4-R37 PolarHBondContact O-NH2 2.85Å; E7-R37 IonicContact OE1-NH1 3.77Å; E7-R37 PolarHBondContact OE1-NH1 2.8Å; E7-R37 IonicContact OE2-CZ 3.96Å; E7-R37 IonicContact OE2-NH1 2.79Å; E7-R37 PolarHBondContact OE2-NH1 3.49Å; E7-R37 IonicContact OE2-NH2 2.69Å; E7-R37 PolarHBondContact OE2-NH2 3.43Å; D8-R37 IonicContact OD1-CZ 3.4Å; D8-R37 IonicContact OD1-NE 2.83Å; D8-R37 PolarHBondContact OD1-NE 3.08Å; D8-R37 IonicContact OD1-NH2 3.15Å; D8-R37 PolarHBondContact OD1-NH2 3.11Å; K33-R37 WeakPolarHBondContact O-CG 3.33Å; K33-R37 PolarHBondContact O-N 3.03Å; K33-R37 VanDerWaalsContact O-N 3.08Å; L34-R37 PolarHBondContact O-N 3.18Å; R37-P39 WeakPolarHBondContact O-CD 3.34Å
38K85Confident88.4Confident62 Ų6259 Ų5927%0.2729%0.293SS..  trans-124.570.5179.3-62.3-168.6178.9-177.60111.5D8 L34 K35 N40 D41D8-K38 WeakPolarHBondContact OD2-CE 3.32Å; D8-K38 IonicContact OD2-NZ 3.69Å; L34-K38 WeakPolarHBondContact O-CB 3.42Å; L34-K38 PolarHBondContact O-N 3.1Å; K35-K38 CarbonylContact O-C 3.35Å; K38-N40 PolarHBondContact O-N 3.06Å; K38-N40 VanDerWaalsContact O-N 3.13Å; K38-D41 HydrophobicContact CB-CB 3.76Å; K38-D41 HydrophobicContact CD-CB 4.29Å; K38-D41 PolarHBondContact O-N 2.85Å; K38-D41 VanDerWaalsContact O-N 3.17Å
39P81.2Confident88.5Confident72 Ų7258.2 Ų58.247%0.46829%0.29SS..THydrogen-bonded Turntrans-65.6-19.9-175.627-35.3000113.7K35 R37 K45K35-P39 VanDerWaalsContact O-CA 3.25Å; K35-P39 WeakPolarHBondContact O-CA 3.44Å; R37-P39 WeakPolarHBondContact O-CD 3.34Å; P39-K45 WeakPolarHBondContact O-CE 3.49Å; P39-K45 PolarHBondContact O-NZ 3.07Å
40N83Confident88.4Confident135 Ų13558.1 Ų58.172%0.72228%0.284SS*.THydrogen-bonded Turntrans-97.7-6.4-179.9-65.4-16.8000113.6K38 T42K38-N40 PolarHBondContact O-N 3.06Å; K38-N40 VanDerWaalsContact O-N 3.13Å; N40-T42 PolarHBondContact O-N 3.21Å
41D87.1Confident88.4Confident49 Ų4958.4 Ų58.426%0.26229%0.286SS..  trans-76.7108.7-179-170.9-25.7000110.8K38 K43 V44 K45K38-D41 HydrophobicContact CB-CB 3.76Å; K38-D41 HydrophobicContact CD-CB 4.29Å; K38-D41 PolarHBondContact O-N 2.85Å; K38-D41 VanDerWaalsContact O-N 3.17Å; D41-K43 VanDerWaalsContact C-N 3.35Å; D41-K43 WeakPolarHBondContact OD1-CB 3.49Å; D41-K43 PolarHBondContact OD1-N 2.89Å; D41-V44 HydrophobicContact CB-CB 4.2Å; D41-V44 HydrophobicContact CB-CG2 3.95Å; D41-V44 PolarHBondContact O-N 3.21Å; D41-V44 PolarHBondContact OD1-N 3.31Å; D41-K45 WeakPolarHBondContact O-CG 3.38Å; D41-K45 PolarHBondContact O-N 3.06Å
42T87Confident88.3Confident8 Ų859.7 Ų59.75%0.04930%0.296CS..Hα-helixtrans-67.3-32.4-178.87.30000113N40 V44 K45 I46 I72 E76 I120N40-T42 PolarHBondContact O-N 3.21Å; T42-V44 VanDerWaalsContact C-N 3.34Å; T42-K45 WeakPolarHBondContact O-CB 3.39Å; T42-K45 PolarHBondContact O-N 3.15Å; T42-I46 VanDerWaalsContact O-CG1 3.31Å; T42-I46 WeakPolarHBondContact O-CG1 3.31Å; T42-I46 PolarHBondContact O-N 2.96Å; T42-I72 HydrophobicContact CG2-CG2 3.73Å; T42-E76 VanDerWaalsContact CB-OE1 3.32Å; T42-E76 WeakPolarHBondContact CB-OE1 3.31Å; T42-E76 HydrophobicContact CG2-CG 3.54Å; T42-E76 WeakPolarHBondContact CG2-OE1 3.35Å; T42-E76 PolarHBondContact OG1-OE1 2.66Å; T42-I120 HydrophobicContact CG2-CG2 4.5Å
43K87.8Confident88.1Confident122 Ų12256.5 Ų56.553%0.5328%0.281SS..Hα-helixtrans-66.2-40.8177.6-66.5-176.8177.8-176.40110.9D41 K45 I46 N47D41-K43 VanDerWaalsContact C-N 3.35Å; D41-K43 WeakPolarHBondContact OD1-CB 3.49Å; D41-K43 PolarHBondContact OD1-N 2.89Å; K43-K45 VanDerWaalsContact C-N 3.32Å; K43-K45 PolarHBondContact O-N 2.98Å; K43-I46 PolarHBondContact O-N 3.29Å; K43-N47 WeakPolarHBondContact O-CB 3.48Å; K43-N47 PolarHBondContact O-N 2.89Å
44V88.2Confident87.8Confident11 Ų1152.1 Ų52.17%0.06727%0.266CS..Hα-helixtrans-61.1-42.6173.6176.10000110.5L34 K35 D41 T42 K48L34-V44 HydrophobicContact CB-CG1 3.98Å; K35-V44 HydrophobicContact CB-CG1 4.25Å; D41-V44 HydrophobicContact CB-CB 4.2Å; D41-V44 HydrophobicContact CB-CG2 3.95Å; D41-V44 PolarHBondContact O-N 3.21Å; D41-V44 PolarHBondContact OD1-N 3.31Å; T42-V44 VanDerWaalsContact C-N 3.34Å; V44-K48 WeakPolarHBondContact O-CB 3.1Å; V44-K48 PolarHBondContact O-N 2.93Å
45K89.9Confident87.5Confident37 Ų3756.7 Ų56.716%0.16128%0.284CS..Hα-helixtrans-62.7-45.5177-67.7173.7-175.9168.10112.7P39 D41 T42 K43 A49 I72P39-K45 WeakPolarHBondContact O-CE 3.49Å; P39-K45 PolarHBondContact O-NZ 3.07Å; D41-K45 WeakPolarHBondContact O-CG 3.38Å; D41-K45 PolarHBondContact O-N 3.06Å; T42-K45 WeakPolarHBondContact O-CB 3.39Å; T42-K45 PolarHBondContact O-N 3.15Å; K43-K45 VanDerWaalsContact C-N 3.32Å; K43-K45 PolarHBondContact O-N 2.98Å; K45-A49 WeakPolarHBondContact O-CB 3.13Å; K45-A49 PolarHBondContact O-N 3.29Å; K45-I72 HydrophobicContact CB-CD1 3.89Å; K45-I72 HydrophobicContact CB-CG1 3.95Å; K45-I72 HydrophobicContact CB-CG2 4.36Å
46I89.7Confident87.3Confident8 Ų857 Ų574%0.04129%0.293CS..Hα-helixtrans-62.5-51.6179.2-67.1168.1000110.5T42 K43 K48 A49 L50 I72 I120 L124T42-I46 VanDerWaalsContact O-CG1 3.31Å; T42-I46 WeakPolarHBondContact O-CG1 3.31Å; T42-I46 PolarHBondContact O-N 2.96Å; K43-I46 PolarHBondContact O-N 3.29Å; I46-K48 VanDerWaalsContact C-N 3.33Å; I46-K48 PolarHBondContact O-N 3.31Å; I46-A49 PolarHBondContact O-N 3.49Å; I46-L50 WeakPolarHBondContact O-CB 3.22Å; I46-L50 PolarHBondContact O-N 3.47Å; I46-I72 HydrophobicContact CD1-CG2 4.47Å; I46-I72 HydrophobicContact CG1-CD1 4.43Å; I46-I72 HydrophobicContact CG1-CG2 3.87Å; I46-I120 HydrophobicContact CD1-CG2 4.05Å; I46-L124 HydrophobicContact CD1-CD2 3.72Å; I46-L124 HydrophobicContact CD1-CG 3.85Å; I46-L124 HydrophobicContact CG1-CD2 3.77Å; I46-L124 HydrophobicContact CG1-CG 4.46Å
47N90.6Very high86.8Confident90 Ų9051.3 Ų51.348%0.48127%0.265SS..Hα-helixtrans-63.4-40.7-178.1-71.6-6.1000111.6M31 K43 L50 L51M31-N47 HydrophobicContact SD-CB 4.34Å; K43-N47 WeakPolarHBondContact O-CB 3.48Å; K43-N47 PolarHBondContact O-N 2.89Å; N47-L50 PolarHBondContact O-N 3.49Å; N47-L51 VanDerWaalsContact O-CB 3.26Å; N47-L51 WeakPolarHBondContact O-CB 3.23Å; N47-L51 PolarHBondContact O-N 3.02Å
48K91.5Very high86.4Confident29 Ų2953.7 Ų53.713%0.12627%0.274CS..Hα-helixtrans-62.5-46.9174.4-175.6-166.2166.3-178.90111.7L28 M31 E32 K35 V44 I46 L50 L51 S52L28-K48 HydrophobicContact CD1-CG 4.35Å; M31-K48 HydrophobicContact CB-CB 4.26Å; M31-K48 HydrophobicContact CB-CG 4.25Å; E32-K48 WeakPolarHBondContact OE1-CE 3.42Å; E32-K48 IonicContact OE1-NZ 2.73Å; E32-K48 PolarHBondContact OE1-NZ 2.98Å; E32-K48 WeakPolarHBondContact OE2-CE 3.43Å; E32-K48 IonicContact OE2-NZ 2.89Å; E32-K48 PolarHBondContact OE2-NZ 2.8Å; K35-K48 HydrophobicContact CB-CD 4.47Å; K35-K48 HydrophobicContact CD-CD 3.75Å; V44-K48 WeakPolarHBondContact O-CB 3.1Å; V44-K48 PolarHBondContact O-N 2.93Å; I46-K48 VanDerWaalsContact C-N 3.33Å; I46-K48 PolarHBondContact O-N 3.31Å; K48-L50 VanDerWaalsContact C-N 3.32Å; K48-L50 PolarHBondContact O-N 2.91Å; K48-L51 PolarHBondContact O-N 3.28Å; K48-S52 WeakPolarHBondContact O-CB 3.49Å; K48-S52 PolarHBondContact O-N 2.98Å
49A90.6Very high86.2Confident10 Ų1053.6 Ų53.68%0.08327%0.273CS..Hα-helixtrans-60.6-44.3178.900000111K45 I46 S52 Y53 Y65 D68 I72K45-A49 WeakPolarHBondContact O-CB 3.13Å; K45-A49 PolarHBondContact O-N 3.29Å; I46-A49 PolarHBondContact O-N 3.49Å; A49-S52 PolarHBondContact O-N 3.36Å; A49-Y53 WeakPolarHBondContact O-CB 3.48Å; A49-Y53 PolarHBondContact O-N 3.34Å; A49-Y65 HydrophobicContact CB-CD2 4.33Å; A49-Y65 HydrophobicContact CB-CE2 4.05Å; A49-D68 HydrophobicContact CB-CB 4.34Å; A49-I72 HydrophobicContact CB-CD1 4.06Å
50L90.3Very high86.2Confident62 Ų6251.2 Ų51.233%0.32526%0.258SS..Hα-helixtrans-62.6-43.6175.5178.562.3000111.8I46 N47 K48 Y53 A54 Y65I46-L50 WeakPolarHBondContact O-CB 3.22Å; I46-L50 PolarHBondContact O-N 3.47Å; N47-L50 PolarHBondContact O-N 3.49Å; K48-L50 VanDerWaalsContact C-N 3.32Å; K48-L50 PolarHBondContact O-N 2.91Å; L50-Y53 PolarHBondContact O-N 2.94Å; L50-A54 VanDerWaalsContact O-CB 3.27Å; L50-A54 WeakPolarHBondContact O-CB 3.14Å; L50-A54 PolarHBondContact O-N 3.49Å; L50-Y65 HydrophobicContact CB-CE2 4.37Å
51L89Confident86.2Confident10 Ų1050 Ų505%0.05225%0.248CC..Hα-helixtrans-67-40.9179.7-174.862.4000112F24 C27 L28 M31 N47 K48 Y53 A54 Y55F24-L51 HydrophobicContact CB-CD1 4.02Å; F24-L51 HydrophobicContact CD1-CD1 3.58Å; F24-L51 HydrophobicContact CG-CD1 4.19Å; C27-L51 HydrophobicContact CB-CD2 3.93Å; L28-L51 HydrophobicContact CB-CD2 3.79Å; L28-L51 HydrophobicContact CB-CG 4.28Å; L28-L51 HydrophobicContact CD1-CB 4.26Å; L28-L51 HydrophobicContact CD1-CD2 3.91Å; L28-L51 HydrophobicContact CD1-CG 3.99Å; L28-L51 HydrophobicContact CG-CD2 4.48Å; M31-L51 HydrophobicContact CG-CD2 4.14Å; N47-L51 VanDerWaalsContact O-CB 3.26Å; N47-L51 WeakPolarHBondContact O-CB 3.23Å; N47-L51 PolarHBondContact O-N 3.02Å; K48-L51 PolarHBondContact O-N 3.28Å; L51-Y53 VanDerWaalsContact C-N 3.32Å; L51-A54 PolarHBondContact O-N 3.16Å; L51-Y55 VanDerWaalsContact O-CB 3.3Å; L51-Y55 WeakPolarHBondContact O-CB 3.09Å; L51-Y55 PolarHBondContact O-N 3.31Å
52S88Confident86.2Confident45 Ų4548 Ų4832%0.31524%0.237SC..Iπ-helixtrans-60.6-43.3172.5-172.40000111K48 A49 T56 S57K48-S52 WeakPolarHBondContact O-CB 3.49Å; K48-S52 PolarHBondContact O-N 2.98Å; A49-S52 PolarHBondContact O-N 3.36Å; S52-T56 WeakPolarHBondContact O-CA 3.31Å; S52-T56 WeakPolarHBondContact O-CB 3.32Å; S52-T56 PolarHBondContact O-N 3.45Å; S52-S57 PolarHBondContact O-N 2.74Å; S52-S57 VanDerWaalsContact O-N 3.1Å
53Y87.3Confident86.2Confident12 Ų1251.9 Ų51.95%0.04726%0.255CS..Iπ-helixtrans-65.9-46.8176.6178.4-120.5000112.1A49 L50 L51 S57 R58 Y59 S60 Y65 L481A49-Y53 WeakPolarHBondContact O-CB 3.48Å; A49-Y53 PolarHBondContact O-N 3.34Å; L50-Y53 PolarHBondContact O-N 2.94Å; L51-Y53 VanDerWaalsContact C-N 3.32Å; Y53-S57 WeakPolarHBondContact CA-OG 3.45Å; Y53-S57 WeakPolarHBondContact CD2-OG 3.31Å; Y53-S57 PolarHBondContact O-OG 3.08Å; Y53-R58 PolarHBondContact O-N 3.34Å; Y53-Y59 HydrophobicContact CD1-CD1 4.08Å; Y53-Y59 AromaticContact CE1-CD1 3.86Å; Y53-Y59 HydrophobicContact CE1-CD1 3.86Å; Y53-Y59 WeakPolarHBondContact CE2-O 3.47Å; Y53-Y59 WeakPolarHBondContact O-CA 3.41Å; Y53-Y59 PolarHBondContact O-N 3.02Å; Y53-Y59 PolarHBondContact OH-O 3.06Å; Y53-S60 WeakPolarHBondContact CD2-O 3.33Å; Y53-S60 WeakPolarHBondContact CE2-O 3.23Å; Y53-Y65 AromaticContact CD1-CD1 3.77Å; Y53-Y65 HydrophobicContact CD1-CD1 3.77Å; Y53-Y65 HydrophobicContact CD1-CD2 4.32Å; Y53-Y65 HydrophobicContact CD1-CE1 4.1Å; Y53-Y65 AromaticContact CD1-CG 3.9Å; Y53-Y65 HydrophobicContact CD1-CG 3.9Å; Y53-Y65 HydrophobicContact CD2-CD1 4.5Å; Y53-Y65 HydrophobicContact CD2-CG 4.05Å; Y53-Y65 AromaticContact CE1-CD1 3.96Å; Y53-Y65 HydrophobicContact CE1-CD1 3.96Å; Y53-Y65 HydrophobicContact CE1-CE1 4.38Å; Y53-Y65 HydrophobicContact CE1-CG 4.42Å; Y53-Y65 HydrophobicContact CG-CD1 4.06Å; Y53-Y65 HydrophobicContact CG-CD2 4.02Å; Y53-Y65 AromaticContact CG-CG 3.7Å; Y53-Y65 HydrophobicContact CG-CG 3.7Å; Y53-L481 WeakPolarHBondContact OH-CB 3.5Å
54A83.2Confident86.2Confident22 Ų2250.6 Ų50.618%0.18225%0.251CS..Iπ-helixtrans-69.6-42-177.600000113.2L50 L51 R58 Y59L50-A54 VanDerWaalsContact O-CB 3.27Å; L50-A54 WeakPolarHBondContact O-CB 3.14Å; L50-A54 PolarHBondContact O-N 3.49Å; L51-A54 PolarHBondContact O-N 3.16Å; A54-R58 WeakPolarHBondContact O-CA 3.5Å; A54-Y59 HydrophobicContact CB-CD1 4.23Å; A54-Y59 HydrophobicContact CB-CE1 3.54Å; A54-Y59 HydrophobicContact CB-CE2 4.23Å
55Y83.5Confident86.4Confident96 Ų9650.5 Ų50.538%0.37625%0.249SC..Iπ-helixtrans-98.5-53.7-173.3178.5-109000113.1F24 E25 L51F24-Y55 HydrophobicContact CB-CD1 4.12Å; F24-Y55 HydrophobicContact CB-CD2 3.41Å; F24-Y55 VanDerWaalsContact CB-CD2 3.41Å; F24-Y55 HydrophobicContact CB-CE2 3.93Å; F24-Y55 HydrophobicContact CB-CG 3.51Å; F24-Y55 HydrophobicContact CD2-CD2 4.03Å; F24-Y55 HydrophobicContact CG-CD2 4.06Å; F24-Y55 HydrophobicContact CG-CG 4.39Å; E25-Y55 HydrophobicContact CB-CE1 4.13Å; L51-Y55 VanDerWaalsContact O-CB 3.3Å; L51-Y55 WeakPolarHBondContact O-CB 3.09Å; L51-Y55 PolarHBondContact O-N 3.31Å
56T83.6Confident86.5Confident92 Ų9249.1 Ų49.156%0.56424%0.243SC*.Iπ-helixtrans-71.1-46.2-174.5-49.50000111.6S52S52-T56 WeakPolarHBondContact O-CA 3.31Å; S52-T56 WeakPolarHBondContact O-CB 3.32Å; S52-T56 PolarHBondContact O-N 3.45Å
57S80.2Confident86.7Confident16 Ų1651.3 Ų51.311%0.11226%0.26CS..SBendtrans-93.4-1.3176.573.10000113.3S52 Y53 Y59 S60S52-S57 PolarHBondContact O-N 2.74Å; S52-S57 VanDerWaalsContact O-N 3.1Å; Y53-S57 WeakPolarHBondContact CA-OG 3.45Å; Y53-S57 WeakPolarHBondContact CD2-OG 3.31Å; Y53-S57 PolarHBondContact O-OG 3.08Å; S57-Y59 PolarHBondContact O-N 3.3Å; S57-S60 WeakPolarHBondContact CB-O 3.46Å; S57-S60 WeakPolarHBondContact O-CA 3.49Å; S57-S60 WeakPolarHBondContact O-CB 3.42Å; S57-S60 PolarHBondContact O-N 3.28Å; S57-S60 PolarHBondContact O-OG 3.03Å; S57-S60 PolarHBondContact OG-O 2.98Å
58R78.3Confident86.7Confident140 Ų14048.8 Ų48.853%0.52825%0.246SC..THydrogen-bonded Turntrans52.341-176.6-58.8-175.6176.4-176.6-0.4113Y53 A54 S60 P480Y53-R58 PolarHBondContact O-N 3.34Å; A54-R58 WeakPolarHBondContact O-CA 3.5Å; R58-S60 PolarHBondContact O-N 3.19Å; R58-P480 WeakPolarHBondContact O-CB 3.36Å
59Y81.3Confident86.8Confident60 Ų6047.4 Ų47.424%0.23524%0.24CC..THydrogen-bonded Turntrans63.612.6-172.6-51.1-85000115.1Y53 A54 S57 L481Y53-Y59 HydrophobicContact CD1-CD1 4.08Å; Y53-Y59 AromaticContact CE1-CD1 3.86Å; Y53-Y59 HydrophobicContact CE1-CD1 3.86Å; Y53-Y59 WeakPolarHBondContact CE2-O 3.47Å; Y53-Y59 WeakPolarHBondContact O-CA 3.41Å; Y53-Y59 PolarHBondContact O-N 3.02Å; Y53-Y59 PolarHBondContact OH-O 3.06Å; A54-Y59 HydrophobicContact CB-CD1 4.23Å; A54-Y59 HydrophobicContact CB-CE1 3.54Å; A54-Y59 HydrophobicContact CB-CE2 4.23Å; S57-Y59 PolarHBondContact O-N 3.3Å; Y59-L481 PolarHBondContact O-N 3.36Å
60S80.9Confident86.9Confident22 Ų2249.9 Ų49.915%0.15425%0.249CC..  trans-83.9172.316675.30000110.8Y53 S57 R58Y53-S60 WeakPolarHBondContact CD2-O 3.33Å; Y53-S60 WeakPolarHBondContact CE2-O 3.23Å; S57-S60 WeakPolarHBondContact CB-O 3.46Å; S57-S60 WeakPolarHBondContact O-CA 3.49Å; S57-S60 WeakPolarHBondContact O-CB 3.42Å; S57-S60 PolarHBondContact O-N 3.28Å; S57-S60 PolarHBondContact O-OG 3.03Å; S57-S60 PolarHBondContact OG-O 2.98Å; R58-S60 PolarHBondContact O-N 3.19Å
61Q83.3Confident87Confident110 Ų11054.1 Ų54.151%0.51426%0.261SS..  trans6146-178.5-51.9179-21.900114.1E63 Q64 Y65 N477Q61-E63 PolarHBondContact O-N 2.86Å; Q61-Q64 HydrophobicContact CB-CB 4.2Å; Q61-Q64 WeakPolarHBondContact O-CB 3.48Å; Q61-Q64 PolarHBondContact O-N 2.98Å; Q61-Y65 PolarHBondContact O-N 3.13Å; Q61-N477 PolarHBondContact N-O 3.4Å
62S85.6Confident87.1Confident5 Ų554.3 Ų54.34%0.03526%0.262CS..Hα-helixtrans-54.3-36.8178.346.10000113.4Q64 Y65 I66 Q135S62-Q64 VanDerWaalsContact C-N 3.33Å; S62-Q64 PolarHBondContact O-N 2.88Å; S62-Y65 PolarHBondContact O-N 2.78Å; S62-I66 WeakPolarHBondContact O-CG1 3.43Å; S62-I66 PolarHBondContact O-N 2.74Å; S62-Q135 PolarHBondContact OG-NE2 3.08Å
63E87.5Confident87.2Confident90 Ų9052.1 Ų52.142%0.42125%0.247SC..Hα-helixtrans-61.6-36.7176.4-65.8-56.6137.600113.5Q61 S67 Q135Q61-E63 PolarHBondContact O-N 2.86Å; E63-S67 WeakPolarHBondContact O-CB 3.45Å; E63-S67 PolarHBondContact O-N 3.46Å; E63-S67 PolarHBondContact O-OG 3.1Å; E63-Q135 PolarHBondContact OE1-NE2 3.24Å
64Q88.5Confident87.3Confident96 Ų9654.7 Ų54.745%0.44927%0.27SS..Hα-helixtrans-69-40.8175.9-178.458.343.500110.5Q61 S62 S67 D68Q61-Q64 HydrophobicContact CB-CB 4.2Å; Q61-Q64 WeakPolarHBondContact O-CB 3.48Å; Q61-Q64 PolarHBondContact O-N 2.98Å; S62-Q64 VanDerWaalsContact C-N 3.33Å; S62-Q64 PolarHBondContact O-N 2.88Å; Q64-S67 WeakPolarHBondContact O-CB 3.43Å; Q64-S67 PolarHBondContact O-N 3.35Å; Q64-D68 PolarHBondContact NE2-OD1 3.35Å; Q64-D68 PolarHBondContact O-N 2.88Å
65Y92.5Very high87.4Confident8 Ų857.7 Ų57.73%0.03129%0.286CS..Hα-helixtrans-65.5-43.1176.5179.5-120.5000112A49 L50 Y53 Q61 S62 S67 D68 L69 N127 V131A49-Y65 HydrophobicContact CB-CD2 4.33Å; A49-Y65 HydrophobicContact CB-CE2 4.05Å; L50-Y65 HydrophobicContact CB-CE2 4.37Å; Y53-Y65 AromaticContact CD1-CD1 3.77Å; Y53-Y65 HydrophobicContact CD1-CD1 3.77Å; Y53-Y65 HydrophobicContact CD1-CD2 4.32Å; Y53-Y65 HydrophobicContact CD1-CE1 4.1Å; Y53-Y65 AromaticContact CD1-CG 3.9Å; Y53-Y65 HydrophobicContact CD1-CG 3.9Å; Y53-Y65 HydrophobicContact CD2-CD1 4.5Å; Y53-Y65 HydrophobicContact CD2-CG 4.05Å; Y53-Y65 AromaticContact CE1-CD1 3.96Å; Y53-Y65 HydrophobicContact CE1-CD1 3.96Å; Y53-Y65 HydrophobicContact CE1-CE1 4.38Å; Y53-Y65 HydrophobicContact CE1-CG 4.42Å; Y53-Y65 HydrophobicContact CG-CD1 4.06Å; Y53-Y65 HydrophobicContact CG-CD2 4.02Å; Y53-Y65 AromaticContact CG-CG 3.7Å; Y53-Y65 HydrophobicContact CG-CG 3.7Å; Q61-Y65 PolarHBondContact O-N 3.13Å; S62-Y65 PolarHBondContact O-N 2.78Å; Y65-S67 VanDerWaalsContact C-N 3.29Å; Y65-S67 PolarHBondContact O-N 3.33Å; Y65-D68 PolarHBondContact O-N 3.15Å; Y65-D68 VanDerWaalsContact O-N 3.17Å; Y65-L69 HydrophobicContact CD1-CD1 4.17Å; Y65-L69 HydrophobicContact CE1-CD1 3.71Å; Y65-L69 HydrophobicContact CE1-CG 4.23Å; Y65-L69 HydrophobicContact CE2-CD2 4.11Å; Y65-L69 HydrophobicContact CE2-CG 4.17Å; Y65-L69 WeakPolarHBondContact O-CG 3.49Å; Y65-L69 PolarHBondContact O-N 3.39Å; Y65-N127 PolarHBondContact OH-ND2 3.33Å; Y65-V131 HydrophobicContact CD1-CG2 3.75Å; Y65-V131 HydrophobicContact CE1-CG2 3.9Å
66I91.3Very high87.4Confident8 Ų856.7 Ų56.74%0.04129%0.285CS..Hα-helixtrans-57.6-44.8172-68.9166.2000110.3S62 D68 L69 K70 Y128 V131S62-I66 WeakPolarHBondContact O-CG1 3.43Å; S62-I66 PolarHBondContact O-N 2.74Å; I66-D68 VanDerWaalsContact C-N 3.29Å; I66-D68 PolarHBondContact O-N 3.25Å; I66-L69 PolarHBondContact O-N 3.44Å; I66-K70 HydrophobicContact CG2-CD 4.1Å; I66-K70 HydrophobicContact CG2-CG 4.36Å; I66-K70 WeakPolarHBondContact O-CG 3.44Å; I66-K70 PolarHBondContact O-N 3.36Å; I66-Y128 HydrophobicContact CB-CE2 4.4Å; I66-Y128 HydrophobicContact CD1-CD2 4.47Å; I66-Y128 HydrophobicContact CD1-CE2 3.98Å; I66-Y128 HydrophobicContact CG1-CD2 4.02Å; I66-Y128 HydrophobicContact CG1-CE2 3.87Å; I66-Y128 HydrophobicContact CG2-CD2 4.27Å; I66-Y128 HydrophobicContact CG2-CE2 3.64Å; I66-V131 HydrophobicContact CD1-CB 4.48Å; I66-V131 HydrophobicContact CD1-CG1 3.66Å; I66-V131 HydrophobicContact CG1-CB 4.39Å; I66-V131 HydrophobicContact CG1-CG1 3.91Å
67S92.6Very high87.4Confident55 Ų5555.9 Ų55.939%0.38530%0.295SS..Hα-helixtrans-61.6-37.2178.1-62.80000112.5E63 Q64 Y65 R71E63-S67 WeakPolarHBondContact O-CB 3.45Å; E63-S67 PolarHBondContact O-N 3.46Å; E63-S67 PolarHBondContact O-OG 3.1Å; Q64-S67 WeakPolarHBondContact O-CB 3.43Å; Q64-S67 PolarHBondContact O-N 3.35Å; Y65-S67 VanDerWaalsContact C-N 3.29Å; Y65-S67 PolarHBondContact O-N 3.33Å; S67-R71 WeakPolarHBondContact O-CB 3.33Å; S67-R71 PolarHBondContact O-N 3.48Å
68D92.5Very high87.6Confident36 Ų3656.4 Ų56.419%0.19330%0.296CS..Hα-helixtrans-70.1-41.9174.4-72.2-22.4000111.6A49 Q64 Y65 I66 K70 R71 I72A49-D68 HydrophobicContact CB-CB 4.34Å; Q64-D68 PolarHBondContact NE2-OD1 3.35Å; Q64-D68 PolarHBondContact O-N 2.88Å; Y65-D68 PolarHBondContact O-N 3.15Å; Y65-D68 VanDerWaalsContact O-N 3.17Å; I66-D68 VanDerWaalsContact C-N 3.29Å; I66-D68 PolarHBondContact O-N 3.25Å; D68-K70 PolarHBondContact O-N 3.41Å; D68-R71 PolarHBondContact O-N 3.11Å; D68-R71 IonicContact OD1-CZ 3.83Å; D68-R71 IonicContact OD1-NH1 3.45Å; D68-R71 PolarHBondContact OD1-NH1 3.33Å; D68-R71 IonicContact OD1-NH2 3.88Å; D68-R71 PolarHBondContact OD1-NH2 2.98Å; D68-I72 WeakPolarHBondContact O-CB 3.38Å; D68-I72 WeakPolarHBondContact O-CD1 3.41Å; D68-I72 WeakPolarHBondContact O-CG1 3.34Å; D68-I72 PolarHBondContact O-N 3.11Å
69L93.4Very high88Confident0 Ų053.1 Ų53.10%029%0.289CS..Hα-helixtrans-58.8-44.8173.1-68.6178.7000111.8Y65 I66 I72 A73 L80 L124 N127Y65-L69 HydrophobicContact CD1-CD1 4.17Å; Y65-L69 HydrophobicContact CE1-CD1 3.71Å; Y65-L69 HydrophobicContact CE1-CG 4.23Å; Y65-L69 HydrophobicContact CE2-CD2 4.11Å; Y65-L69 HydrophobicContact CE2-CG 4.17Å; Y65-L69 WeakPolarHBondContact O-CG 3.49Å; Y65-L69 PolarHBondContact O-N 3.39Å; I66-L69 PolarHBondContact O-N 3.44Å; L69-I72 PolarHBondContact O-N 3.01Å; L69-A73 WeakPolarHBondContact O-CB 3.47Å; L69-A73 PolarHBondContact O-N 3.48Å; L69-L80 HydrophobicContact CB-CD1 4.16Å; L69-L124 HydrophobicContact CD2-CD2 3.83Å; L69-N127 HydrophobicContact CD1-CB 4.11Å; L69-N127 HydrophobicContact CD2-CB 4.44Å
70K92.8Very high88.2Confident62 Ų6250.3 Ų50.327%0.2728%0.278SS..Hα-helixtrans-61.6-43.4176-72.1-179.2178.2-160.90112I66 D68 I72 A73 A74 L80 D81I66-K70 HydrophobicContact CG2-CD 4.1Å; I66-K70 HydrophobicContact CG2-CG 4.36Å; I66-K70 WeakPolarHBondContact O-CG 3.44Å; I66-K70 PolarHBondContact O-N 3.36Å; D68-K70 PolarHBondContact O-N 3.41Å; K70-I72 VanDerWaalsContact C-N 3.34Å; K70-I72 PolarHBondContact O-N 3.13Å; K70-A73 PolarHBondContact O-N 3.25Å; K70-A74 PolarHBondContact O-N 3.06Å; K70-L80 HydrophobicContact CG-CB 4.44Å; K70-L80 HydrophobicContact CG-CD1 4.27Å; K70-D81 WeakPolarHBondContact CE-OD1 3.43Å; K70-D81 WeakPolarHBondContact CE-OD2 3.28Å; K70-D81 IonicContact NZ-OD1 3.04Å; K70-D81 PolarHBondContact NZ-OD1 2.84Å; K70-D81 IonicContact NZ-OD2 3.84Å; K70-D81 PolarHBondContact NZ-OD2 2.67Å
71R92.1Very high88.4Confident151 Ų15151.3 Ų51.357%0.5728%0.281SS*.Hα-helixtrans-63.9-40176.4-167-173.2-49.8139.923.9111.9S67 D68 A74 V75S67-R71 WeakPolarHBondContact O-CB 3.33Å; S67-R71 PolarHBondContact O-N 3.48Å; D68-R71 PolarHBondContact O-N 3.11Å; D68-R71 IonicContact OD1-CZ 3.83Å; D68-R71 IonicContact OD1-NH1 3.45Å; D68-R71 PolarHBondContact OD1-NH1 3.33Å; D68-R71 IonicContact OD1-NH2 3.88Å; D68-R71 PolarHBondContact OD1-NH2 2.98Å; R71-A74 PolarHBondContact O-N 2.95Å; R71-V75 WeakPolarHBondContact O-CG2 3.42Å; R71-V75 PolarHBondContact O-N 3.26Å
72I91.3Very high88.4Confident14 Ų1450.4 Ų50.47%0.07228%0.28CS..Hα-helixtrans-66.3-44.4177.7-68166.6000110.2T42 K45 I46 A49 D68 L69 K70 A74 V75 L124T42-I72 HydrophobicContact CG2-CG2 3.73Å; K45-I72 HydrophobicContact CB-CD1 3.89Å; K45-I72 HydrophobicContact CB-CG1 3.95Å; K45-I72 HydrophobicContact CB-CG2 4.36Å; I46-I72 HydrophobicContact CD1-CG2 4.47Å; I46-I72 HydrophobicContact CG1-CD1 4.43Å; I46-I72 HydrophobicContact CG1-CG2 3.87Å; A49-I72 HydrophobicContact CB-CD1 4.06Å; D68-I72 WeakPolarHBondContact O-CB 3.38Å; D68-I72 WeakPolarHBondContact O-CD1 3.41Å; D68-I72 WeakPolarHBondContact O-CG1 3.34Å; D68-I72 PolarHBondContact O-N 3.11Å; L69-I72 PolarHBondContact O-N 3.01Å; K70-I72 VanDerWaalsContact C-N 3.34Å; K70-I72 PolarHBondContact O-N 3.13Å; I72-A74 VanDerWaalsContact C-N 3.33Å; I72-A74 PolarHBondContact O-N 3.06Å; I72-V75 WeakPolarHBondContact O-CB 3.39Å; I72-V75 PolarHBondContact O-N 3.27Å; I72-L124 HydrophobicContact CB-CD2 4.42Å; I72-L124 HydrophobicContact CG2-CD2 4.04Å
73A89.9Confident88.2Confident0 Ų051.7 Ų51.70%028%0.284CS..Hα-helixtrans-60.3-41.317600000112.3L69 K70 V75 E76 G77 M78 L80 L124L69-A73 WeakPolarHBondContact O-CB 3.47Å; L69-A73 PolarHBondContact O-N 3.48Å; K70-A73 PolarHBondContact O-N 3.25Å; A73-V75 PolarHBondContact O-N 2.96Å; A73-E76 CarbonylContact O-C 3.52Å; A73-E76 WeakPolarHBondContact O-CA 3.31Å; A73-E76 WeakPolarHBondContact O-CB 3.49Å; A73-E76 PolarHBondContact O-N 3.13Å; A73-G77 PolarHBondContact O-N 2.9Å; A73-M78 CarbonylContact C-O 3.55Å; A73-M78 HydrophobicContact CB-CB 4.21Å; A73-M78 WeakPolarHBondContact O-CB 3.46Å; A73-M78 PolarHBondContact O-N 3.47Å; A73-M78 VanDerWaalsContact O-O 3.07Å; A73-L80 HydrophobicContact CB-CD1 3.89Å; A73-L80 HydrophobicContact CB-CD2 4.15Å; A73-L80 HydrophobicContact CB-CG 3.59Å; A73-L124 HydrophobicContact CB-CD1 4.03Å
74A89Confident87.7Confident66 Ų6647.8 Ų47.855%0.54527%0.266SS..Hα-helixtrans-60.7-31.7178.300000112.9K70 R71 I72 E76 G77 M78K70-A74 PolarHBondContact O-N 3.06Å; R71-A74 PolarHBondContact O-N 2.95Å; I72-A74 VanDerWaalsContact C-N 3.33Å; I72-A74 PolarHBondContact O-N 3.06Å; A74-E76 VanDerWaalsContact C-N 3.28Å; A74-E76 PolarHBondContact O-N 2.88Å; A74-G77 PolarHBondContact O-N 3.49Å; A74-G77 VanDerWaalsContact O-N 3.13Å; A74-M78 WeakPolarHBondContact CA-O 3.43Å; A74-M78 PolarHBondContact N-O 3.17Å
75V85.4Confident86.6Confident84 Ų8447.1 Ų47.151%0.50927%0.266SS..Hα-helixtrans-67.6-29.8175.1175.60000111.8R71 I72 A73 G77R71-V75 WeakPolarHBondContact O-CG2 3.42Å; R71-V75 PolarHBondContact O-N 3.26Å; I72-V75 WeakPolarHBondContact O-CB 3.39Å; I72-V75 PolarHBondContact O-N 3.27Å; A73-V75 PolarHBondContact O-N 2.96Å; V75-G77 PolarHBondContact O-N 3.39Å
76E83.9Confident84.9Confident76 Ų7651.8 Ų51.836%0.35529%0.286SS..THydrogen-bonded Turntrans-84.65.8174.3-65.5-68.7144.500112.7T42 A73 A74 M78 I120T42-E76 VanDerWaalsContact CB-OE1 3.32Å; T42-E76 WeakPolarHBondContact CB-OE1 3.31Å; T42-E76 HydrophobicContact CG2-CG 3.54Å; T42-E76 WeakPolarHBondContact CG2-OE1 3.35Å; T42-E76 PolarHBondContact OG1-OE1 2.66Å; A73-E76 CarbonylContact O-C 3.52Å; A73-E76 WeakPolarHBondContact O-CA 3.31Å; A73-E76 WeakPolarHBondContact O-CB 3.49Å; A73-E76 PolarHBondContact O-N 3.13Å; A74-E76 VanDerWaalsContact C-N 3.28Å; A74-E76 PolarHBondContact O-N 2.88Å; E76-M78 VanDerWaalsContact C-N 3.3Å; E76-M78 HydrophobicContact CB-CG 4.22Å; E76-M78 HydrophobicContact CB-SD 4.33Å; E76-I120 HydrophobicContact CG-CG2 4.28Å
77G82.8Confident82.4Confident75 Ų7556.6 Ų56.677%0.77332%0.316SS*.THydrogen-bonded Turntrans73.921-176.400000113.6A73 A74 V75A73-G77 PolarHBondContact O-N 2.9Å; A74-G77 PolarHBondContact O-N 3.49Å; A74-G77 VanDerWaalsContact O-N 3.13Å; V75-G77 PolarHBondContact O-N 3.39Å
78M84.2Confident79.5Confident27 Ų2758.2 Ų58.213%0.13332%0.324CS..  trans-111.4136.8-179-58.8179.571.900110.9A73 A74 E76 Y83 M121A73-M78 CarbonylContact C-O 3.55Å; A73-M78 HydrophobicContact CB-CB 4.21Å; A73-M78 WeakPolarHBondContact O-CB 3.46Å; A73-M78 PolarHBondContact O-N 3.47Å; A73-M78 VanDerWaalsContact O-O 3.07Å; A74-M78 WeakPolarHBondContact CA-O 3.43Å; A74-M78 PolarHBondContact N-O 3.17Å; E76-M78 VanDerWaalsContact C-N 3.3Å; E76-M78 HydrophobicContact CB-CG 4.22Å; E76-M78 HydrophobicContact CB-SD 4.33Å; M78-Y83 HydrophobicContact CE-CE2 4.31Å; M78-M121 HydrophobicContact CE-CB 3.48Å; M78-M121 VanDerWaalsContact CE-CB 3.48Å; M78-M121 HydrophobicContact CE-CG 3.3Å; M78-M121 HydrophobicContact CE-SD 3.54Å; M78-M121 VanDerWaalsContact CE-SD 3.54Å; M78-M121 HydrophobicContact SD-CB 3.86Å; M78-M121 HydrophobicContact SD-CG 4.36Å
79N87Confident76.5Confident71 Ų7162.8 Ų62.838%0.3835%0.347SS..  trans-106.5113166.8-177.313.1000109.5D81 D82 Y83N79-D81 PolarHBondContact O-N 3.04Å; N79-D81 PolarHBondContact OD1-N 3.41Å; N79-D82 HydrophobicContact CB-CB 4.48Å; N79-D82 WeakPolarHBondContact CB-OD2 3.46Å; N79-D82 PolarHBondContact ND2-OD1 3.15Å; N79-D82 WeakPolarHBondContact O-CB 3.35Å; N79-D82 PolarHBondContact O-N 3.4Å; N79-Y83 WeakPolarHBondContact O-CD2 3.24Å; N79-Y83 WeakPolarHBondContact O-CE2 3.44Å
80L85.2Confident73.4Confident1 Ų167.5 Ų67.51%0.00538%0.38CS..G310 helixtrans-62.7-28.4179.6-68.4174.8000112.4L69 K70 A73 D82 Y83 L124 L125 Y128L69-L80 HydrophobicContact CB-CD1 4.16Å; K70-L80 HydrophobicContact CG-CB 4.44Å; K70-L80 HydrophobicContact CG-CD1 4.27Å; A73-L80 HydrophobicContact CB-CD1 3.89Å; A73-L80 HydrophobicContact CB-CD2 4.15Å; A73-L80 HydrophobicContact CB-CG 3.59Å; L80-D82 VanDerWaalsContact C-N 3.27Å; L80-D82 PolarHBondContact O-N 2.87Å; L80-Y83 PolarHBondContact O-N 3.44Å; L80-L124 HydrophobicContact CD2-CB 4.28Å; L80-L125 HydrophobicContact CD2-CD2 3.89Å; L80-Y128 HydrophobicContact CB-CD1 4.09Å; L80-Y128 HydrophobicContact CB-CE1 4.1Å; L80-Y128 HydrophobicContact CD1-CD1 4.09Å
81D85.7Confident70.3Confident43 Ų4375.1 Ų75.123%0.2341%0.407CS..G310 helixtrans-71.4-20.9-179-71-38.8000113.2K70 N79 Y83 I84 N85K70-D81 WeakPolarHBondContact CE-OD1 3.43Å; K70-D81 WeakPolarHBondContact CE-OD2 3.28Å; K70-D81 IonicContact NZ-OD1 3.04Å; K70-D81 PolarHBondContact NZ-OD1 2.84Å; K70-D81 IonicContact NZ-OD2 3.84Å; K70-D81 PolarHBondContact NZ-OD2 2.67Å; N79-D81 PolarHBondContact O-N 3.04Å; N79-D81 PolarHBondContact OD1-N 3.41Å; D81-Y83 PolarHBondContact O-N 2.89Å; D81-I84 PolarHBondContact O-N 3.17Å; D81-N85 WeakPolarHBondContact O-CB 3.33Å; D81-N85 PolarHBondContact O-N 2.73Å
82D83.9Confident67.1Low91 Ų9175.4 Ų75.449%0.48742%0.415SS..G310 helixtrans-67-22175.7-67.5-6.8000112N79 L80N79-D82 HydrophobicContact CB-CB 4.48Å; N79-D82 WeakPolarHBondContact CB-OD2 3.46Å; N79-D82 PolarHBondContact ND2-OD1 3.15Å; N79-D82 WeakPolarHBondContact O-CB 3.35Å; N79-D82 PolarHBondContact O-N 3.4Å; L80-D82 VanDerWaalsContact C-N 3.27Å; L80-D82 PolarHBondContact O-N 2.87Å
83Y81.2Confident64.1Low32 Ų3282.3 Ų82.313%0.12545%0.452CS..G310 helixtrans-83.6-16.9179.1-62.6-86.1000113M78 N79 L80 D81 L125 N147M78-Y83 HydrophobicContact CE-CE2 4.31Å; N79-Y83 WeakPolarHBondContact O-CD2 3.24Å; N79-Y83 WeakPolarHBondContact O-CE2 3.44Å; L80-Y83 PolarHBondContact O-N 3.44Å; D81-Y83 PolarHBondContact O-N 2.89Å; Y83-L125 HydrophobicContact CD2-CD2 4.24Å; Y83-L125 HydrophobicContact CG-CD2 4.19Å; Y83-N147 HydrophobicContact CD1-CB 4.14Å
84I77.3Confident61.3Low8 Ų886.8 Ų86.84%0.04148%0.483CS..THydrogen-bonded Turntrans-103.3-44179-58.1172.6000110.9D81 K86 Y128 L132 Q140 E143 L144D81-I84 PolarHBondContact O-N 3.17Å; I84-K86 VanDerWaalsContact C-N 3.32Å; I84-K86 PolarHBondContact O-N 3.23Å; I84-Y128 HydrophobicContact CD1-CD1 4.43Å; I84-Y128 HydrophobicContact CD1-CE1 3.51Å; I84-L132 HydrophobicContact CD1-CD1 4.03Å; I84-Q140 HydrophobicContact CD1-CB 4.4Å; I84-Q140 HydrophobicContact CG2-CB 3.93Å; I84-Q140 HydrophobicContact CG2-CG 3.63Å; I84-E143 VanDerWaalsContact CA-OE2 3.28Å; I84-E143 WeakPolarHBondContact CA-OE2 3.44Å; I84-L144 HydrophobicContact CD1-CD1 4.41Å; I84-L144 HydrophobicContact CD1-CD2 4.22Å; I84-L144 HydrophobicContact CD1-CG 4.42Å; I84-L144 HydrophobicContact CG1-CD2 3.82Å; I84-L144 HydrophobicContact CG1-CG 4.19Å
85N64.4Low58.3Low82 Ų8291.3 Ų91.344%0.43950%0.498SS..THydrogen-bonded Turntrans-85.526.4-166.4-72.6-43.1000116.5D81 T87 V88D81-N85 WeakPolarHBondContact O-CB 3.33Å; D81-N85 PolarHBondContact O-N 2.73Å; N85-T87 PolarHBondContact O-N 2.82Å; N85-V88 PolarHBondContact O-N 3.2Å; N85-V88 VanDerWaalsContact O-N 3.16Å
86K57Low55.6Low105 Ų10598.8 Ų98.846%0.45752%0.517SS..Hα-helixtrans-63.4-16.4-178.1-77.3-176.8-178.81710114.2I84 V88I84-K86 VanDerWaalsContact C-N 3.32Å; I84-K86 PolarHBondContact O-N 3.23Å; K86-V88 VanDerWaalsContact C-N 3.33Å; K86-V88 PolarHBondContact O-N 2.82Å
87T40.1Very low53Low110 Ų11099.7 Ų99.768%0.67553%0.532SS*.Hα-helixtrans-69.8-25.5176.4-40000113.5N85 S90N85-T87 PolarHBondContact O-N 2.82Å; T87-S90 PolarHBondContact O-OG 3.08Å
88V31.4Very low50.2Low89 Ų89104 Ų10454%0.53954%0.537SS..Hα-helixtrans-87.1-34.3-175.6-178.60000112.4N85 K86 S90 R91N85-V88 PolarHBondContact O-N 3.2Å; N85-V88 VanDerWaalsContact O-N 3.16Å; K86-V88 VanDerWaalsContact C-N 3.33Å; K86-V88 PolarHBondContact O-N 2.82Å; V88-S90 VanDerWaalsContact C-N 3.26Å; V88-S90 PolarHBondContact O-N 3.21Å; V88-R91 PolarHBondContact O-N 3.49Å
89L28Very low47.5Very low131 Ų131110.9 Ų110.969%0.68657%0.569SS**Hα-helixtrans-71.7-15.7-176.1-71.3170.2000114.3
90S29Very low44.8Very low99 Ų99112.9 Ų112.969%0.69259%0.586SS**THydrogen-bonded Turntrans-81.5-11.3176.361.60000114.4T87 V88T87-S90 PolarHBondContact O-OG 3.08Å; V88-S90 VanDerWaalsContact C-N 3.26Å; V88-S90 PolarHBondContact O-N 3.21Å
91R27Very low42.1Very low222 Ų222120.9 Ų120.984%0.83862%0.623SS**THydrogen-bonded Turntrans-98.7-13.3-179.8-104.4179.5177.1169.7-0.3115.3V88V88-R91 PolarHBondContact O-N 3.49Å
92H25.8Very low39.2Very low157 Ų157125.8 Ų125.873%0.72766%0.655SS**SBendtrans-96.12.7-171-109.5-46.7000116.8
93N28.2Very low36.5Very low159 Ų159126.3 Ų126.385%0.8567%0.666SS**SBendtrans-116.130.8-178.3-78.5-13.8000115.1
94S30.9Very low33.9Very low94 Ų94134.5 Ų134.566%0.65770%0.702SS**SBendtrans-133.557.4166.769.50000111.2
95D27.1Very low31.5Very low162 Ų162141.9 Ų141.987%0.86674%0.741SS**  trans-169.173.4161.6-91.1-28.7000110.3
96R27.7Very low29.7Very low241 Ų241145.9 Ų145.991%0.90976%0.762SS**  trans-166107.3150.5-121177.9175.9-168.9-2.7113.4
97S29.3Very low28.2Very low94 Ų94148.1 Ų148.166%0.65778%0.778SS**  trans55.8104.4136.559.90000119.9
98D24.9Very low27.4Very low165 Ų165147.9 Ų147.988%0.88278%0.781SS**  21.598.4118.4-60.9-34.1000117.2
99E26.8Very low27.1Very low172 Ų172150.8 Ų150.880%0.80479%0.793SS**  trans-162.7139.6135.6-112.4-178.3-17100111.2H101E99-H101 PolarHBondContact O-N 2.64Å
100P30.8Very low26.9Very low114 Ų114148.9 Ų148.974%0.7479%0.787SS**  trans-97.7100.9-167.635.6-27.2000111.2
101H28.1Very low26.7Very low168 Ų168148.6 Ų148.678%0.77879%0.785SS**  trans-111.9108.9161.3-72.8-40.1000110.9E99 S103E99-H101 PolarHBondContact O-N 2.64Å; H101-S103 PolarHBondContact O-N 2.74Å; H101-S103 VanDerWaalsContact O-N 3.16Å
102T24.8Very low26.8Very low147 Ų147142.9 Ų142.990%0.90278%0.777SS**  trans-59.4101168.341.50000111.1
103S27.2Very low26.9Very low102 Ų102142.9 Ų142.971%0.71378%0.777SS**  trans-143.1106.7153.245.40000108.4H101 D105H101-S103 PolarHBondContact O-N 2.74Å; H101-S103 VanDerWaalsContact O-N 3.16Å; S103-D105 PolarHBondContact O-N 3.19Å
104K26.8Very low27.2Very low204 Ų204143.3 Ų143.389%0.88777%0.772SS**  trans-6593.3170.8-73.2172.9173.3175.20108.4
105D26.6Very low27.6Very low163 Ų163143.6 Ų143.687%0.87277%0.765SS**  trans-155.464.6157.1-83.4-36.2000107.5S103S103-D105 PolarHBondContact O-N 3.19Å
106L25.7Very low28.6Very low165 Ų165141.1 Ų141.186%0.86476%0.76SS**  trans-94.3129.5170.2-84.7161.2000108.2
107L26Very low30.3Very low153 Ų153132.8 Ų132.880%0.80173%0.729SS**  trans88.458.2173.6-51.4162.8000115.5N109L107-N109 VanDerWaalsContact C-N 3.26Å; L107-N109 PolarHBondContact O-N 3.38Å
108S24.4Very low32.7Very low104 Ų104130.6 Ų130.673%0.72771%0.713SS**  trans-65.999.3140.155.50000107.3T110S108-T110 PolarHBondContact O-N 2.78Å; S108-T110 PolarHBondContact O-OG1 3.07Å
109N24.9Very low35.5Very low150 Ų150125.2 Ų125.280%0.80269%0.689SS**  trans-54.782.3157.4-82.6-21.4000107.4L107 S111L107-N109 VanDerWaalsContact C-N 3.26Å; L107-N109 PolarHBondContact O-N 3.38Å; N109-S111 VanDerWaalsContact C-N 3.28Å; N109-S111 PolarHBondContact O-N 2.83Å
110T23.7Very low38.3Very low92 Ų92118.6 Ų118.656%0.56466%0.658SS**  trans-75.796.6171.2-41.60000103.6S108 Q113S108-T110 PolarHBondContact O-N 2.78Å; S108-T110 PolarHBondContact O-OG1 3.07Å; T110-Q113 HydrophobicContact CG2-CG 4.28Å
111S24Very low40.9Very low92 Ų92113.5 Ų113.564%0.64363%0.625SS**  trans-42.6138.7163.232.90000108.2N109 Q113N109-S111 VanDerWaalsContact C-N 3.28Å; N109-S111 PolarHBondContact O-N 2.83Å; S111-Q113 PolarHBondContact O-N 2.7Å
112P29.2Very low43.8Very low103 Ų103105.5 Ų105.567%0.66959%0.588SS**  trans-51.2117.7-177.420.2-30.6000107.6F114P112-F114 VanDerWaalsContact C-N 3.33Å; P112-F114 WeakPolarHBondContact O-CD2 3.38Å; P112-F114 PolarHBondContact O-N 3.01Å
113Q27.6Very low46.9Very low156 Ų156100.7 Ų100.773%0.72956%0.557SS**  trans-58.2100.7-178.8-71.9175.3-10.100106.9T110 S111 I115T110-Q113 HydrophobicContact CG2-CG 4.28Å; S111-Q113 PolarHBondContact O-N 2.7Å; Q113-I115 PolarHBondContact O-N 3.32Å
114F34.4Very low49.9Very low168 Ų16895.8 Ų95.874%0.73752%0.523SS*.  trans-66.388.6166.2-84.6-90.3000105.8P112 S116P112-F114 VanDerWaalsContact C-N 3.33Å; P112-F114 WeakPolarHBondContact O-CD2 3.38Å; P112-F114 PolarHBondContact O-N 3.01Å; F114-S116 PolarHBondContact O-N 2.86Å; F114-S116 VanDerWaalsContact O-N 3.15Å
115I40.3Very low53Low100 Ų10086.1 Ų86.151%0.51348%0.48SS..  trans-54.5121.8167.6-63.9165000105.5Q113 R117Q113-I115 PolarHBondContact O-N 3.32Å; I115-R117 PolarHBondContact O-N 3.13Å
116S47.2Very low56.2Low110 Ų11079.1 Ų79.177%0.76944%0.442SS*.  trans-54109.8175.757.60000108.4F114 S118F114-S116 PolarHBondContact O-N 2.86Å; F114-S116 VanDerWaalsContact O-N 3.15Å; S116-S118 PolarHBondContact O-N 3.13Å
117R64.2Low59.4Low67 Ų6772.3 Ų72.325%0.25341%0.407SS..  trans-69.3104.3-175.5-60.6-167.5179120.228.3108.9I115 M121 I122 N147 C148 G150 D190I115-R117 PolarHBondContact O-N 3.13Å; R117-M121 HydrophobicContact CB-CE 4.19Å; R117-M121 HydrophobicContact CG-CE 3.71Å; R117-I122 HydrophobicContact CB-CD1 4.11Å; R117-I122 HydrophobicContact CB-CG1 4.34Å; R117-N147 PolarHBondContact NE-O 3.13Å; R117-C148 VanDerWaalsContact CZ-O 3.22Å; R117-C148 PolarHBondContact NE-O 3.36Å; R117-C148 PolarHBondContact NH1-O 3.15Å; R117-G150 VanDerWaalsContact NH1-CA 3.3Å; R117-D190 IonicContact NH1-OD2 3.67Å
118S78.9Confident62.6Low47 Ų4765.6 Ų65.633%0.32937%0.37SS..  trans-70.6147171.975.10000109.2S116 I120 M121 I122S116-S118 PolarHBondContact O-N 3.13Å; S118-I120 PolarHBondContact O-N 3.13Å; S118-I120 VanDerWaalsContact O-N 3.12Å; S118-M121 WeakPolarHBondContact O-CB 3.36Å; S118-M121 PolarHBondContact O-N 2.98Å; S118-M121 WeakPolarHBondContact OG-CB 3.44Å; S118-M121 PolarHBondContact OG-N 2.8Å; S118-M121 VanDerWaalsContact OG-N 3.09Å; S118-I122 PolarHBondContact O-N 2.95Å
119S83Confident65.8Low53 Ų5360.6 Ų60.637%0.37134%0.336SS..Hα-helixtrans-56.7-28173.6176.40000112N123S119-N123 PolarHBondContact O-N 2.8Å; S119-N123 PolarHBondContact O-ND2 3.24Å
120I85.8Confident68.9Low32 Ų3254.9 Ų54.916%0.16431%0.306CS..Hα-helixtrans-67.8-46.3175.8-63.6165.8000110.8T42 I46 E76 S118 I122 N123 L124T42-I120 HydrophobicContact CG2-CG2 4.5Å; I46-I120 HydrophobicContact CD1-CG2 4.05Å; E76-I120 HydrophobicContact CG-CG2 4.28Å; S118-I120 PolarHBondContact O-N 3.13Å; S118-I120 VanDerWaalsContact O-N 3.12Å; I120-I122 PolarHBondContact O-N 3.24Å; I120-N123 PolarHBondContact O-N 3.31Å; I120-L124 HydrophobicContact CG2-CD1 4.07Å; I120-L124 WeakPolarHBondContact O-CG 3.32Å; I120-L124 PolarHBondContact O-N 3.04Å
121M86.9Confident72Confident8 Ų850.6 Ų50.64%0.03928%0.28CS..Hα-helixtrans-56.9-47.4176.5161.4175.8147.800111.6M78 R117 S118 N123 L124 L125M78-M121 HydrophobicContact CE-CB 3.48Å; M78-M121 VanDerWaalsContact CE-CB 3.48Å; M78-M121 HydrophobicContact CE-CG 3.3Å; M78-M121 HydrophobicContact CE-SD 3.54Å; M78-M121 VanDerWaalsContact CE-SD 3.54Å; M78-M121 HydrophobicContact SD-CB 3.86Å; M78-M121 HydrophobicContact SD-CG 4.36Å; R117-M121 HydrophobicContact CB-CE 4.19Å; R117-M121 HydrophobicContact CG-CE 3.71Å; S118-M121 WeakPolarHBondContact O-CB 3.36Å; S118-M121 PolarHBondContact O-N 2.98Å; S118-M121 WeakPolarHBondContact OG-CB 3.44Å; S118-M121 PolarHBondContact OG-N 2.8Å; S118-M121 VanDerWaalsContact OG-N 3.09Å; M121-N123 VanDerWaalsContact C-N 3.33Å; M121-N123 PolarHBondContact O-N 3.35Å; M121-L124 PolarHBondContact O-N 3.08Å; M121-L125 HydrophobicContact CE-CD1 3.97Å; M121-L125 HydrophobicContact CG-CD1 3.83Å; M121-L125 HydrophobicContact CG-CG 4.4Å; M121-L125 WeakPolarHBondContact O-CG 3.34Å; M121-L125 PolarHBondContact O-N 3.35Å
122I88.3Confident75.1Confident0 Ų046.3 Ų46.30%025%0.25CC..Hα-helixtrans-61.9-41.7-179.1-65.2166.1000111.1R117 S118 I120 L125 Y126 L193 L199 I203R117-I122 HydrophobicContact CB-CD1 4.11Å; R117-I122 HydrophobicContact CB-CG1 4.34Å; S118-I122 PolarHBondContact O-N 2.95Å; I120-I122 PolarHBondContact O-N 3.24Å; I122-L125 PolarHBondContact O-N 2.91Å; I122-Y126 VanDerWaalsContact O-CB 3.3Å; I122-Y126 WeakPolarHBondContact O-CB 3.38Å; I122-Y126 PolarHBondContact O-N 2.93Å; I122-L193 HydrophobicContact CD1-CB 3.8Å; I122-L193 WeakPolarHBondContact CD1-O 3.5Å; I122-L199 HydrophobicContact CG2-CD2 4.06Å; I122-I203 HydrophobicContact CG2-CD1 3.5Å; I122-I203 VanDerWaalsContact CG2-CD1 3.5Å
123N89.7Confident77.7Confident45 Ų4542 Ų4224%0.24122%0.221CC..Hα-helixtrans-63.7-42.6176.8-81.7-60.6000112.6S119 I120 M121 N127 L199S119-N123 PolarHBondContact O-N 2.8Å; S119-N123 PolarHBondContact O-ND2 3.24Å; I120-N123 PolarHBondContact O-N 3.31Å; M121-N123 VanDerWaalsContact C-N 3.33Å; M121-N123 PolarHBondContact O-N 3.35Å; N123-N127 WeakPolarHBondContact O-CB 3.33Å; N123-N127 VanDerWaalsContact O-CG 3.27Å; N123-N127 PolarHBondContact O-N 3.41Å; N123-N127 PolarHBondContact O-ND2 2.76Å; N123-L199 VanDerWaalsContact OD1-CD2 3.3Å; N123-L199 WeakPolarHBondContact OD1-CD2 3.43Å
124L91.3Very high80.3Confident0 Ų037 Ų370%020%0.195CC..Hα-helixtrans-64.5-46.1177.7-72.1170.2000111.5I46 L69 I72 A73 L80 I120 M121 Y128I46-L124 HydrophobicContact CD1-CD2 3.72Å; I46-L124 HydrophobicContact CD1-CG 3.85Å; I46-L124 HydrophobicContact CG1-CD2 3.77Å; I46-L124 HydrophobicContact CG1-CG 4.46Å; L69-L124 HydrophobicContact CD2-CD2 3.83Å; I72-L124 HydrophobicContact CB-CD2 4.42Å; I72-L124 HydrophobicContact CG2-CD2 4.04Å; A73-L124 HydrophobicContact CB-CD1 4.03Å; L80-L124 HydrophobicContact CD2-CB 4.28Å; I120-L124 HydrophobicContact CG2-CD1 4.07Å; I120-L124 WeakPolarHBondContact O-CG 3.32Å; I120-L124 PolarHBondContact O-N 3.04Å; M121-L124 PolarHBondContact O-N 3.08Å; L124-Y128 WeakPolarHBondContact O-CB 3.37Å; L124-Y128 PolarHBondContact O-N 3Å
125L91.8Very high82.4Confident0 Ų030.9 Ų30.90%017%0.169CC..Hα-helixtrans-63.5-45.1178.2-69173.9000111.6L80 Y83 M121 I122 Y128 A129 L144 N147 C148L80-L125 HydrophobicContact CD2-CD2 3.89Å; Y83-L125 HydrophobicContact CD2-CD2 4.24Å; Y83-L125 HydrophobicContact CG-CD2 4.19Å; M121-L125 HydrophobicContact CE-CD1 3.97Å; M121-L125 HydrophobicContact CG-CD1 3.83Å; M121-L125 HydrophobicContact CG-CG 4.4Å; M121-L125 WeakPolarHBondContact O-CG 3.34Å; M121-L125 PolarHBondContact O-N 3.35Å; I122-L125 PolarHBondContact O-N 2.91Å; L125-Y128 PolarHBondContact O-N 3.37Å; L125-A129 VanDerWaalsContact O-CB 3.29Å; L125-A129 WeakPolarHBondContact O-CB 3.46Å; L125-A129 PolarHBondContact O-N 3.3Å; L125-L144 HydrophobicContact CD2-CD2 3.7Å; L125-N147 HydrophobicContact CD1-CB 4.46Å; L125-C148 WeakPolarHBondContact CB-SG 3.49Å
126Y92.6Very high84.1Confident16 Ų1629 Ų296%0.06316%0.158CC..Hα-helixtrans-62.1-50.2177.6171.7-103.6000111.9I122 Y128 A129 V130 L199 R202 I203 L206I122-Y126 VanDerWaalsContact O-CB 3.3Å; I122-Y126 WeakPolarHBondContact O-CB 3.38Å; I122-Y126 PolarHBondContact O-N 2.93Å; Y126-Y128 VanDerWaalsContact C-N 3.26Å; Y126-Y128 PolarHBondContact O-N 2.81Å; Y126-A129 PolarHBondContact O-N 3.22Å; Y126-A129 VanDerWaalsContact O-N 3.15Å; Y126-V130 HydrophobicContact CD1-CG2 4.37Å; Y126-V130 HydrophobicContact CD2-CG2 4.23Å; Y126-V130 HydrophobicContact CE1-CG2 3.89Å; Y126-V130 HydrophobicContact CE2-CG2 3.76Å; Y126-V130 WeakPolarHBondContact O-CG2 3.47Å; Y126-V130 PolarHBondContact O-N 2.98Å; Y126-L199 HydrophobicContact CD1-CD1 3.66Å; Y126-L199 HydrophobicContact CD2-CD1 4.5Å; Y126-L199 HydrophobicContact CE1-CD1 4.11Å; Y126-L199 HydrophobicContact CG-CD1 3.88Å; Y126-R202 HydrophobicContact CE2-CB 3.91Å; Y126-I203 HydrophobicContact CD2-CG1 3.52Å; Y126-I203 HydrophobicContact CE2-CG1 4.24Å; Y126-I203 HydrophobicContact CG-CG1 4.05Å; Y126-L206 HydrophobicContact CD2-CD2 4.27Å; Y126-L206 HydrophobicContact CE2-CD2 3.94Å
127N92.4Very high85.8Confident23 Ų2327.3 Ų27.312%0.12314%0.138CC..Hα-helixtrans-61.2-38.1179.4-72.7-13000111.7Y65 L69 N123 V131Y65-N127 PolarHBondContact OH-ND2 3.33Å; L69-N127 HydrophobicContact CD1-CB 4.11Å; L69-N127 HydrophobicContact CD2-CB 4.44Å; N123-N127 WeakPolarHBondContact O-CB 3.33Å; N123-N127 VanDerWaalsContact O-CG 3.27Å; N123-N127 PolarHBondContact O-N 3.41Å; N123-N127 PolarHBondContact O-ND2 2.76Å; N127-V131 WeakPolarHBondContact O-CG2 3.03Å; N127-V131 PolarHBondContact O-N 3.44Å
128Y93.8Very high86.9Confident11 Ų1125.9 Ų25.94%0.04313%0.133CC..Hα-helixtrans-67.1-44.9175.1-170.7-166.2000111.5I66 L80 I84 L124 L125 Y126 V130 V131 L132 L144I66-Y128 HydrophobicContact CB-CE2 4.4Å; I66-Y128 HydrophobicContact CD1-CD2 4.47Å; I66-Y128 HydrophobicContact CD1-CE2 3.98Å; I66-Y128 HydrophobicContact CG1-CD2 4.02Å; I66-Y128 HydrophobicContact CG1-CE2 3.87Å; I66-Y128 HydrophobicContact CG2-CD2 4.27Å; I66-Y128 HydrophobicContact CG2-CE2 3.64Å; L80-Y128 HydrophobicContact CB-CD1 4.09Å; L80-Y128 HydrophobicContact CB-CE1 4.1Å; L80-Y128 HydrophobicContact CD1-CD1 4.09Å; I84-Y128 HydrophobicContact CD1-CD1 4.43Å; I84-Y128 HydrophobicContact CD1-CE1 3.51Å; L124-Y128 WeakPolarHBondContact O-CB 3.37Å; L124-Y128 PolarHBondContact O-N 3Å; L125-Y128 PolarHBondContact O-N 3.37Å; Y126-Y128 VanDerWaalsContact C-N 3.26Å; Y126-Y128 PolarHBondContact O-N 2.81Å; Y128-V130 VanDerWaalsContact C-N 3.31Å; Y128-V130 PolarHBondContact O-N 3.29Å; Y128-V131 PolarHBondContact O-N 3.05Å; Y128-V131 VanDerWaalsContact O-N 3.14Å; Y128-L132 HydrophobicContact CD2-CD1 3.99Å; Y128-L132 HydrophobicContact CD2-CD2 4.38Å; Y128-L132 HydrophobicContact CD2-CG 3.86Å; Y128-L132 HydrophobicContact CE2-CD1 3.79Å; Y128-L132 HydrophobicContact CE2-CD2 3.72Å; Y128-L132 HydrophobicContact CE2-CG 3.68Å; Y128-L132 HydrophobicContact CG-CD1 4.43Å; Y128-L132 WeakPolarHBondContact O-CG 3.21Å; Y128-L132 PolarHBondContact O-N 3.08Å; Y128-L144 HydrophobicContact CD1-CD1 3.49Å; Y128-L144 VanDerWaalsContact CD1-CD1 3.49Å; Y128-L144 HydrophobicContact CD1-CD2 4.32Å; Y128-L144 HydrophobicContact CD2-CD1 4.41Å; Y128-L144 HydrophobicContact CE1-CD1 4.14Å; Y128-L144 HydrophobicContact CG-CD1 3.65Å
129A92.5Very high87.3Confident0 Ų026.3 Ų26.30%014%0.139CC..Hα-helixtrans-59.9-38.417700000112.8L125 Y126 L132 F133 L144 L145 L206L125-A129 VanDerWaalsContact O-CB 3.29Å; L125-A129 WeakPolarHBondContact O-CB 3.46Å; L125-A129 PolarHBondContact O-N 3.3Å; Y126-A129 PolarHBondContact O-N 3.22Å; Y126-A129 VanDerWaalsContact O-N 3.15Å; A129-L132 PolarHBondContact O-N 3.19Å; A129-F133 WeakPolarHBondContact O-CB 3.11Å; A129-F133 PolarHBondContact O-N 2.89Å; A129-L144 HydrophobicContact CB-CB 4.05Å; A129-L144 HydrophobicContact CB-CD1 4.15Å; A129-L145 HydrophobicContact CB-CD1 4.38Å; A129-L145 HydrophobicContact CB-CD2 3.96Å; A129-L145 HydrophobicContact CB-CG 3.89Å; A129-L206 HydrophobicContact CB-CD2 4.42Å
130V90.1Very high87.7Confident30 Ų3026.9 Ų26.918%0.18214%0.136CC..Hα-helixtrans-59.6-48.1174.5170.70000110.5Y126 Y128 L132 F133 Y134 L206Y126-V130 HydrophobicContact CD1-CG2 4.37Å; Y126-V130 HydrophobicContact CD2-CG2 4.23Å; Y126-V130 HydrophobicContact CE1-CG2 3.89Å; Y126-V130 HydrophobicContact CE2-CG2 3.76Å; Y126-V130 WeakPolarHBondContact O-CG2 3.47Å; Y126-V130 PolarHBondContact O-N 2.98Å; Y128-V130 VanDerWaalsContact C-N 3.31Å; Y128-V130 PolarHBondContact O-N 3.29Å; V130-L132 PolarHBondContact O-N 3.01Å; V130-F133 WeakPolarHBondContact O-CB 3.45Å; V130-F133 PolarHBondContact O-N 3.43Å; V130-Y134 HydrophobicContact CG1-CD2 3.88Å; V130-Y134 HydrophobicContact CG1-CE2 3.88Å; V130-Y134 VanDerWaalsContact O-CD2 3.25Å; V130-Y134 WeakPolarHBondContact O-CD2 3.38Å; V130-Y134 PolarHBondContact O-N 3.21Å; V130-Y134 VanDerWaalsContact O-N 3.15Å; V130-L206 HydrophobicContact CG2-CD2 3.69Å
131V88.6Confident87.9Confident2 Ų225.4 Ų25.41%0.01213%0.128CC..Hα-helixtrans-61.6-45.7178.9-178.60000110.8Y65 I66 N127 Y128 F133 Y134 Q135 L481Y65-V131 HydrophobicContact CD1-CG2 3.75Å; Y65-V131 HydrophobicContact CE1-CG2 3.9Å; I66-V131 HydrophobicContact CD1-CB 4.48Å; I66-V131 HydrophobicContact CD1-CG1 3.66Å; I66-V131 HydrophobicContact CG1-CB 4.39Å; I66-V131 HydrophobicContact CG1-CG1 3.91Å; N127-V131 WeakPolarHBondContact O-CG2 3.03Å; N127-V131 PolarHBondContact O-N 3.44Å; Y128-V131 PolarHBondContact O-N 3.05Å; Y128-V131 VanDerWaalsContact O-N 3.14Å; V131-F133 VanDerWaalsContact C-N 3.32Å; V131-F133 PolarHBondContact O-N 3.32Å; V131-Y134 PolarHBondContact O-N 3.08Å; V131-Q135 HydrophobicContact CG1-CG 4.38Å; V131-Q135 WeakPolarHBondContact O-CG 3.44Å; V131-Q135 PolarHBondContact O-N 3.13Å; V131-L481 HydrophobicContact CG1-CD1 4.46Å; V131-L481 HydrophobicContact CG2-CD2 4.47Å
132L88.2Confident88.2Confident1 Ų126.2 Ų26.21%0.00513%0.132CC..Hα-helixtrans-61.9-38.9177.9-67.3177.4000112.5I84 Y128 A129 V130 Q135 H136 Q137 Q140 A141 L144I84-L132 HydrophobicContact CD1-CD1 4.03Å; Y128-L132 HydrophobicContact CD2-CD1 3.99Å; Y128-L132 HydrophobicContact CD2-CD2 4.38Å; Y128-L132 HydrophobicContact CD2-CG 3.86Å; Y128-L132 HydrophobicContact CE2-CD1 3.79Å; Y128-L132 HydrophobicContact CE2-CD2 3.72Å; Y128-L132 HydrophobicContact CE2-CG 3.68Å; Y128-L132 HydrophobicContact CG-CD1 4.43Å; Y128-L132 WeakPolarHBondContact O-CG 3.21Å; Y128-L132 PolarHBondContact O-N 3.08Å; A129-L132 PolarHBondContact O-N 3.19Å; V130-L132 PolarHBondContact O-N 3.01Å; L132-Q135 CarbonylContact O-C 3.57Å; L132-Q135 PolarHBondContact O-N 2.89Å; L132-H136 PolarHBondContact O-N 3.38Å; L132-H136 VanDerWaalsContact O-N 3.15Å; L132-Q137 HydrophobicContact CB-CB 4.25Å; L132-Q137 HydrophobicContact CD2-CB 4.17Å; L132-Q137 PolarHBondContact O-N 2.99Å; L132-Q140 HydrophobicContact CD1-CB 3.83Å; L132-A141 HydrophobicContact CB-CB 4.01Å; L132-L144 HydrophobicContact CD1-CD1 3.53Å; L132-L144 HydrophobicContact CD1-CG 4.41Å
133F84.9Confident88.3Confident14 Ų1429.2 Ų29.26%0.06115%0.146CC..Hα-helixtrans-58.5-49.3175.4171.6-99.3000111.7A129 V130 V131 Q135 H136 Y138 L206 E209 V210 R213A129-F133 WeakPolarHBondContact O-CB 3.11Å; A129-F133 PolarHBondContact O-N 2.89Å; V130-F133 WeakPolarHBondContact O-CB 3.45Å; V130-F133 PolarHBondContact O-N 3.43Å; V131-F133 VanDerWaalsContact C-N 3.32Å; V131-F133 PolarHBondContact O-N 3.32Å; F133-Q135 VanDerWaalsContact C-N 3.3Å; F133-Q135 PolarHBondContact O-N 3.48Å; F133-H136 WeakPolarHBondContact O-CA 3.44Å; F133-H136 PolarHBondContact O-N 3.43Å; F133-Y138 AromaticContact CD2-CD1 3.83Å; F133-Y138 HydrophobicContact CD2-CD1 3.83Å; F133-Y138 AromaticContact CD2-CE1 3.73Å; F133-Y138 HydrophobicContact CD2-CE1 3.73Å; F133-Y138 HydrophobicContact CE2-CD1 4.2Å; F133-Y138 AromaticContact CE2-CE1 3.8Å; F133-Y138 HydrophobicContact CE2-CE1 3.8Å; F133-Y138 WeakPolarHBondContact O-CE1 3.43Å; F133-L206 HydrophobicContact CB-CD1 4.02Å; F133-L206 HydrophobicContact CD1-CD1 3.94Å; F133-L206 HydrophobicContact CD2-CD1 3.88Å; F133-L206 HydrophobicContact CE1-CD1 4.4Å; F133-L206 HydrophobicContact CE2-CD1 4.35Å; F133-L206 HydrophobicContact CG-CD1 3.66Å; F133-E209 HydrophobicContact CE2-CB 4.31Å; F133-E209 HydrophobicContact CE2-CG 3.62Å; F133-E209 HydrophobicContact CZ-CG 3.65Å; F133-V210 HydrophobicContact CD2-CG2 3.66Å; F133-V210 HydrophobicContact CE2-CG2 4.32Å; F133-R213 HydrophobicContact CE2-CG 4.38Å
134Y80.7Confident88.4Confident51 Ų5127.1 Ų27.120%0.214%0.135CC..Hα-helixtrans-73.4-18.9178.5-78.5-77.9000113.9V130 V131 L481 S484 S485V130-Y134 HydrophobicContact CG1-CD2 3.88Å; V130-Y134 HydrophobicContact CG1-CE2 3.88Å; V130-Y134 VanDerWaalsContact O-CD2 3.25Å; V130-Y134 WeakPolarHBondContact O-CD2 3.38Å; V130-Y134 PolarHBondContact O-N 3.21Å; V130-Y134 VanDerWaalsContact O-N 3.15Å; V131-Y134 PolarHBondContact O-N 3.08Å; Y134-L481 VanDerWaalsContact CB-CD1 3.42Å; Y134-L481 HydrophobicContact CD1-CG 4.35Å; Y134-L481 WeakPolarHBondContact CD1-O 3.34Å; Y134-L481 HydrophobicContact CD2-CD2 3.68Å; Y134-L481 HydrophobicContact CD2-CG 3.96Å; Y134-L481 HydrophobicContact CG-CD1 4.29Å; Y134-L481 HydrophobicContact CG-CD2 3.93Å; Y134-L481 HydrophobicContact CG-CG 3.67Å; Y134-S484 PolarHBondContact O-OG 2.85Å; Y134-S485 VanDerWaalsContact CD1-CB 3.5Å; Y134-S485 WeakPolarHBondContact CD1-OG 3.48Å; Y134-S485 VanDerWaalsContact CE1-OG 3.25Å; Y134-S485 WeakPolarHBondContact CE1-OG 3.48Å
135Q78.2Confident88.4Confident39 Ų3927.1 Ų27.118%0.18214%0.135CC..THydrogen-bonded Turntrans-82.42166.5-71.4-178.2-20.700112.8S62 E63 V131 L132 F133 Q137S62-Q135 PolarHBondContact OG-NE2 3.08Å; E63-Q135 PolarHBondContact OE1-NE2 3.24Å; V131-Q135 HydrophobicContact CG1-CG 4.38Å; V131-Q135 WeakPolarHBondContact O-CG 3.44Å; V131-Q135 PolarHBondContact O-N 3.13Å; L132-Q135 CarbonylContact O-C 3.57Å; L132-Q135 PolarHBondContact O-N 2.89Å; F133-Q135 VanDerWaalsContact C-N 3.3Å; F133-Q135 PolarHBondContact O-N 3.48Å; Q135-Q137 HydrophobicContact CB-CG 4.27Å; Q135-Q137 PolarHBondContact O-N 2.86Å
136H76.5Confident88.3Confident59 Ų5927.6 Ų27.627%0.27314%0.138SC..THydrogen-bonded Turntrans62.622.5-177.1-48.5155.7000114.4L132 F133 Y138 L487L132-H136 PolarHBondContact O-N 3.38Å; L132-H136 VanDerWaalsContact O-N 3.15Å; F133-H136 WeakPolarHBondContact O-CA 3.44Å; F133-H136 PolarHBondContact O-N 3.43Å; H136-Y138 HydrophobicContact CB-CE2 4.07Å; H136-Y138 PolarHBondContact CD2-OH 2.86Å; H136-Y138 VanDerWaalsContact CD2-OH 3.3Å; H136-Y138 PolarHBondContact O-N 3.03Å; H136-Y138 VanDerWaalsContact O-N 3.16Å; H136-L487 PolarHBondContact CE1-O 3.32Å
137Q83.4Confident88Confident75 Ų7528.5 Ų28.535%0.3514%0.144SC..  trans-89.158174.4-61.3-1711.800110.5L132 Q135 A139 Q140 A141L132-Q137 HydrophobicContact CB-CB 4.25Å; L132-Q137 HydrophobicContact CD2-CB 4.17Å; L132-Q137 PolarHBondContact O-N 2.99Å; Q135-Q137 HydrophobicContact CB-CG 4.27Å; Q135-Q137 PolarHBondContact O-N 2.86Å; Q137-A139 VanDerWaalsContact C-N 3.33Å; Q137-A139 PolarHBondContact O-N 3.47Å; Q137-Q140 PolarHBondContact O-N 3.42Å; Q137-A141 PolarHBondContact O-N 3.02Å
138Y86.4Confident87.8Confident37 Ų3727.4 Ų27.415%0.14514%0.138CC..Hα-helixtrans-59.9-37.7-170.2-54.3-56.9000113.9F133 H136 Q140 A141 E142 V210 R213F133-Y138 AromaticContact CD2-CD1 3.83Å; F133-Y138 HydrophobicContact CD2-CD1 3.83Å; F133-Y138 AromaticContact CD2-CE1 3.73Å; F133-Y138 HydrophobicContact CD2-CE1 3.73Å; F133-Y138 HydrophobicContact CE2-CD1 4.2Å; F133-Y138 AromaticContact CE2-CE1 3.8Å; F133-Y138 HydrophobicContact CE2-CE1 3.8Å; F133-Y138 WeakPolarHBondContact O-CE1 3.43Å; H136-Y138 HydrophobicContact CB-CE2 4.07Å; H136-Y138 PolarHBondContact CD2-OH 2.86Å; H136-Y138 VanDerWaalsContact CD2-OH 3.3Å; H136-Y138 PolarHBondContact O-N 3.03Å; H136-Y138 VanDerWaalsContact O-N 3.16Å; Y138-Q140 PolarHBondContact O-N 3.46Å; Y138-A141 PolarHBondContact O-N 3.18Å; Y138-E142 WeakPolarHBondContact O-CB 3.34Å; Y138-E142 PolarHBondContact O-N 3.38Å; Y138-V210 WeakPolarHBondContact O-CG1 3.25Å; Y138-R213 HydrophobicContact CD1-CB 3.89Å; Y138-R213 HydrophobicContact CD1-CG 4.11Å; Y138-R213 HydrophobicContact CD2-CB 3.77Å; Y138-R213 HydrophobicContact CE1-CB 4.07Å; Y138-R213 HydrophobicContact CE1-CG 3.85Å; Y138-R213 HydrophobicContact CE2-CB 3.93Å; Y138-R213 HydrophobicContact CE2-CG 4.27Å; Y138-R213 HydrophobicContact CG-CB 3.74Å; Y138-R213 HydrophobicContact CG-CG 4.43Å; Y138-R213 PolarHBondContact OH-NH1 2.69Å; Y138-R213 VanDerWaalsContact OH-NH1 3.07Å
139A88.3Confident87.5Confident57 Ų5726.9 Ų26.947%0.47114%0.136SC..Hα-helixtrans-63.6-41.5179.200000111.9Q137 E142 E143 L214Q137-A139 VanDerWaalsContact C-N 3.33Å; Q137-A139 PolarHBondContact O-N 3.47Å; A139-E142 WeakPolarHBondContact O-CB 3.5Å; A139-E142 PolarHBondContact O-N 3.12Å; A139-E143 WeakPolarHBondContact O-CG 3.45Å; A139-E143 PolarHBondContact O-N 3.41Å; A139-E143 VanDerWaalsContact O-N 3.11Å; A139-L214 HydrophobicContact CB-CD2 4.34Å
140Q90.6Very high86.9Confident65 Ų6527.5 Ų27.530%0.30414%0.142SC..Hα-helixtrans-72.1-38176.9-57.1-174.210.200111.1I84 L132 Q137 Y138 E142 E143 L144I84-Q140 HydrophobicContact CD1-CB 4.4Å; I84-Q140 HydrophobicContact CG2-CB 3.93Å; I84-Q140 HydrophobicContact CG2-CG 3.63Å; L132-Q140 HydrophobicContact CD1-CB 3.83Å; Q137-Q140 PolarHBondContact O-N 3.42Å; Y138-Q140 PolarHBondContact O-N 3.46Å; Q140-E142 VanDerWaalsContact C-N 3.3Å; Q140-E142 PolarHBondContact O-N 2.82Å; Q140-E143 PolarHBondContact O-N 2.95Å; Q140-L144 WeakPolarHBondContact O-CG 3.42Å; Q140-L144 PolarHBondContact O-N 3Å
141A90.7Very high86.5Confident0 Ų026.5 Ų26.50%014%0.136CC..Hα-helixtrans-60.5-40.7172.700000111.4L132 Q137 Y138 L144 L145 V210L132-A141 HydrophobicContact CB-CB 4.01Å; Q137-A141 PolarHBondContact O-N 3.02Å; Y138-A141 PolarHBondContact O-N 3.18Å; A141-L144 PolarHBondContact O-N 3.27Å; A141-L145 WeakPolarHBondContact O-CB 3.48Å; A141-L145 WeakPolarHBondContact O-CD1 3.26Å; A141-L145 WeakPolarHBondContact O-CG 3.24Å; A141-L145 PolarHBondContact O-N 2.95Å; A141-V210 HydrophobicContact CB-CG2 4.12Å
142E93.1Very high85.5Confident25 Ų2529.4 Ų29.412%0.11716%0.155CC..Hα-helixtrans-60.3-48.7175.2-173.4-178-152.100111Y138 A139 Q140 L144 L145 V146 V210 L214 L216 R219Y138-E142 WeakPolarHBondContact O-CB 3.34Å; Y138-E142 PolarHBondContact O-N 3.38Å; A139-E142 WeakPolarHBondContact O-CB 3.5Å; A139-E142 PolarHBondContact O-N 3.12Å; Q140-E142 VanDerWaalsContact C-N 3.3Å; Q140-E142 PolarHBondContact O-N 2.82Å; E142-L144 VanDerWaalsContact C-N 3.29Å; E142-L144 PolarHBondContact O-N 3.1Å; E142-L145 PolarHBondContact O-N 3.46Å; E142-L145 VanDerWaalsContact O-N 3.09Å; E142-V146 HydrophobicContact CG-CG2 3.89Å; E142-V146 VanDerWaalsContact O-CB 3.3Å; E142-V146 WeakPolarHBondContact O-CB 3.49Å; E142-V146 VanDerWaalsContact O-CG2 3.28Å; E142-V146 WeakPolarHBondContact O-CG2 3.48Å; E142-V146 PolarHBondContact O-N 3.07Å; E142-V210 HydrophobicContact CB-CG1 3.67Å; E142-V210 HydrophobicContact CG-CG1 4.41Å; E142-L214 HydrophobicContact CB-CD1 3.65Å; E142-L214 HydrophobicContact CG-CD1 4.07Å; E142-L214 WeakPolarHBondContact OE2-CD1 3.4Å; E142-L216 WeakPolarHBondContact OE1-CD1 3.29Å; E142-R219 IonicContact OE1-CZ 3.65Å; E142-R219 IonicContact OE1-NH1 3.83Å; E142-R219 PolarHBondContact OE1-NH1 3.21Å
143E91.1Very high84Confident64 Ų6432.7 Ų32.730%0.29918%0.178SC..Hα-helixtrans-56.9-42.2179.5-73.7177.8152.300112I84 A139 Q140 N147I84-E143 VanDerWaalsContact CA-OE2 3.28Å; I84-E143 WeakPolarHBondContact CA-OE2 3.44Å; A139-E143 WeakPolarHBondContact O-CG 3.45Å; A139-E143 PolarHBondContact O-N 3.41Å; A139-E143 VanDerWaalsContact O-N 3.11Å; Q140-E143 PolarHBondContact O-N 2.95Å; E143-N147 PolarHBondContact O-N 3.32Å; E143-N147 PolarHBondContact O-ND2 3.1Å
144L90.8Very high82.1Confident0 Ų037.7 Ų37.70%021%0.205CC..Hα-helixtrans-65.4-42.8175.5-63-178000112.4I84 L125 Y128 A129 L132 Q140 A141 E142 N147 C148I84-L144 HydrophobicContact CD1-CD1 4.41Å; I84-L144 HydrophobicContact CD1-CD2 4.22Å; I84-L144 HydrophobicContact CD1-CG 4.42Å; I84-L144 HydrophobicContact CG1-CD2 3.82Å; I84-L144 HydrophobicContact CG1-CG 4.19Å; L125-L144 HydrophobicContact CD2-CD2 3.7Å; Y128-L144 HydrophobicContact CD1-CD1 3.49Å; Y128-L144 VanDerWaalsContact CD1-CD1 3.49Å; Y128-L144 HydrophobicContact CD1-CD2 4.32Å; Y128-L144 HydrophobicContact CD2-CD1 4.41Å; Y128-L144 HydrophobicContact CE1-CD1 4.14Å; Y128-L144 HydrophobicContact CG-CD1 3.65Å; A129-L144 HydrophobicContact CB-CB 4.05Å; A129-L144 HydrophobicContact CB-CD1 4.15Å; L132-L144 HydrophobicContact CD1-CD1 3.53Å; L132-L144 HydrophobicContact CD1-CG 4.41Å; Q140-L144 WeakPolarHBondContact O-CG 3.42Å; Q140-L144 PolarHBondContact O-N 3Å; A141-L144 PolarHBondContact O-N 3.27Å; E142-L144 VanDerWaalsContact C-N 3.29Å; E142-L144 PolarHBondContact O-N 3.1Å; L144-N147 PolarHBondContact O-N 2.79Å; L144-C148 PolarHBondContact O-N 2.98Å; L144-C148 PolarHBondContact O-SG 3.21Å
145L91.9Very high80.4Confident0 Ų038 Ų380%021%0.21CC..Hα-helixtrans-71.9-37.2-177.8-67.8166.4000112.8A129 A141 E142 N147 C148 L149 I203 L206 W207 V210A129-L145 HydrophobicContact CB-CD1 4.38Å; A129-L145 HydrophobicContact CB-CD2 3.96Å; A129-L145 HydrophobicContact CB-CG 3.89Å; A141-L145 WeakPolarHBondContact O-CB 3.48Å; A141-L145 WeakPolarHBondContact O-CD1 3.26Å; A141-L145 WeakPolarHBondContact O-CG 3.24Å; A141-L145 PolarHBondContact O-N 2.95Å; E142-L145 PolarHBondContact O-N 3.46Å; E142-L145 VanDerWaalsContact O-N 3.09Å; L145-N147 VanDerWaalsContact C-N 3.28Å; L145-N147 PolarHBondContact O-N 2.98Å; L145-C148 WeakPolarHBondContact O-CA 3.15Å; L145-C148 VanDerWaalsContact O-CB 3.29Å; L145-C148 WeakPolarHBondContact O-CB 3.39Å; L145-C148 PolarHBondContact O-N 2.96Å; L145-C148 VanDerWaalsContact O-N 3.13Å; L145-L149 WeakPolarHBondContact O-CB 3.48Å; L145-L149 WeakPolarHBondContact O-CG 3.21Å; L145-L149 PolarHBondContact O-N 3.01Å; L145-I203 HydrophobicContact CD2-CG2 4.06Å; L145-L206 HydrophobicContact CD1-CB 4.46Å; L145-L206 HydrophobicContact CD1-CD2 4.16Å; L145-L206 HydrophobicContact CD1-CG 3.89Å; L145-L206 HydrophobicContact CD2-CD2 4.13Å; L145-L206 HydrophobicContact CD2-CG 4.5Å; L145-W207 HydrophobicContact CB-CB 4.21Å; L145-W207 HydrophobicContact CB-CG 4.35Å; L145-W207 HydrophobicContact CD1-CB 4.13Å; L145-V210 HydrophobicContact CD1-CB 4.36Å; L145-V210 HydrophobicContact CD1-CG2 3.93Å
146V89.8Confident78.7Confident11 Ų1139.5 Ų39.57%0.06722%0.217CC..Hα-helixtrans-60.1-40.3172.5160.30000110.4E142 L149 G150 I151E142-V146 HydrophobicContact CG-CG2 3.89Å; E142-V146 VanDerWaalsContact O-CB 3.3Å; E142-V146 WeakPolarHBondContact O-CB 3.49Å; E142-V146 VanDerWaalsContact O-CG2 3.28Å; E142-V146 WeakPolarHBondContact O-CG2 3.48Å; E142-V146 PolarHBondContact O-N 3.07Å; V146-L149 PolarHBondContact O-N 3.28Å; V146-G150 PolarHBondContact O-N 3.29Å; V146-I151 HydrophobicContact CG1-CB 3.91Å; V146-I151 HydrophobicContact CG1-CG2 4.27Å; V146-I151 WeakPolarHBondContact CG1-O 3.48Å; V146-I151 PolarHBondContact O-N 2.93Å; V146-I151 VanDerWaalsContact O-N 3.11Å
147N86.6Confident76.7Confident35 Ų3539.1 Ų39.119%0.18722%0.221CC..Hα-helixtrans-68-34.8173.8-75.7-60000112.9Y83 R117 L125 E143 L144 L145Y83-N147 HydrophobicContact CD1-CB 4.14Å; R117-N147 PolarHBondContact NE-O 3.13Å; L125-N147 HydrophobicContact CD1-CB 4.46Å; E143-N147 PolarHBondContact O-N 3.32Å; E143-N147 PolarHBondContact O-ND2 3.1Å; L144-N147 PolarHBondContact O-N 2.79Å; L145-N147 VanDerWaalsContact C-N 3.28Å; L145-N147 PolarHBondContact O-N 2.98Å
148C86.9Confident74Confident0 Ų038.3 Ų38.30%022%0.221CC..Hα-helixtrans-59.2-60.4168.6-69.60000109.5R117 L125 L144 L145 G150 L193 I203R117-C148 VanDerWaalsContact CZ-O 3.22Å; R117-C148 PolarHBondContact NE-O 3.36Å; R117-C148 PolarHBondContact NH1-O 3.15Å; L125-C148 WeakPolarHBondContact CB-SG 3.49Å; L144-C148 PolarHBondContact O-N 2.98Å; L144-C148 PolarHBondContact O-SG 3.21Å; L145-C148 WeakPolarHBondContact O-CA 3.15Å; L145-C148 VanDerWaalsContact O-CB 3.29Å; L145-C148 WeakPolarHBondContact O-CB 3.39Å; L145-C148 PolarHBondContact O-N 2.96Å; L145-C148 VanDerWaalsContact O-N 3.13Å; C148-G150 PolarHBondContact O-N 3.28Å; C148-L193 HydrophobicContact CB-CD2 4.12Å; C148-L193 WeakPolarHBondContact O-CD2 3.34Å; C148-I203 HydrophobicContact CB-CG2 4.05Å
149L87.5Confident71.3Confident0 Ų039.6 Ų39.60%024%0.235CC..Hα-helixtrans-68.7-11.9-173.8-67.6165.9000114.8L145 V146 I151 I189 D190 L193 I203 V204 W207L145-L149 WeakPolarHBondContact O-CB 3.48Å; L145-L149 WeakPolarHBondContact O-CG 3.21Å; L145-L149 PolarHBondContact O-N 3.01Å; V146-L149 PolarHBondContact O-N 3.28Å; L149-I151 VanDerWaalsContact C-N 3.32Å; L149-I151 HydrophobicContact CB-CD1 3.93Å; L149-I151 HydrophobicContact CB-CG1 4.07Å; L149-I151 HydrophobicContact CD1-CD1 4.15Å; L149-I151 PolarHBondContact O-N 3.47Å; L149-I189 HydrophobicContact CB-CG2 4.43Å; L149-I189 HydrophobicContact CD2-CG2 3.95Å; L149-D190 WeakPolarHBondContact O-CB 3.31Å; L149-D190 PolarHBondContact O-N 2.96Å; L149-L193 VanDerWaalsContact CA-CD2 3.47Å; L149-L193 HydrophobicContact CB-CD2 4.5Å; L149-L193 HydrophobicContact CD2-CD1 4.4Å; L149-L193 HydrophobicContact CD2-CD2 4.05Å; L149-L193 HydrophobicContact CG-CD2 4.38Å; L149-I203 HydrophobicContact CD2-CG2 4.07Å; L149-I203 HydrophobicContact CG-CG2 4.06Å; L149-V204 HydrophobicContact CD2-CG2 4.13Å; L149-W207 HydrophobicContact CD1-CB 3.77Å; L149-W207 HydrophobicContact CD1-CD2 3.34Å; L149-W207 HydrophobicContact CD1-CE3 3.6Å; L149-W207 HydrophobicContact CD1-CG 3.41Å; L149-W207 VanDerWaalsContact CD1-CG 3.41Å; L149-W207 HydrophobicContact CD1-CZ3 4.3Å
150G81.2Confident68.4Low13 Ų1341.1 Ų41.113%0.13424%0.242CC..THydrogen-bonded Turntrans72.823.7178.900000116.2R117 V146 C148R117-G150 VanDerWaalsContact NH1-CA 3.3Å; V146-G150 PolarHBondContact O-N 3.29Å; C148-G150 PolarHBondContact O-N 3.28Å
151I80.2Confident65.3Low9 Ų945.7 Ų45.75%0.04626%0.261CS..  trans-76.2125.5174.6-60.6165.7000107.3V146 L149 S153 L185 I189 W207V146-I151 HydrophobicContact CG1-CB 3.91Å; V146-I151 HydrophobicContact CG1-CG2 4.27Å; V146-I151 WeakPolarHBondContact CG1-O 3.48Å; V146-I151 PolarHBondContact O-N 2.93Å; V146-I151 VanDerWaalsContact O-N 3.11Å; L149-I151 VanDerWaalsContact C-N 3.32Å; L149-I151 HydrophobicContact CB-CD1 3.93Å; L149-I151 HydrophobicContact CB-CG1 4.07Å; L149-I151 HydrophobicContact CD1-CD1 4.15Å; L149-I151 PolarHBondContact O-N 3.47Å; I151-S153 PolarHBondContact O-N 3.4Å; I151-L185 HydrophobicContact CG2-CD1 3.9Å; I151-I189 HydrophobicContact CD1-CG1 4.11Å; I151-I189 HydrophobicContact CG1-CG1 4.12Å; I151-W207 HydrophobicContact CD1-CH2 3.59Å; I151-W207 HydrophobicContact CD1-CZ2 3.3Å; I151-W207 HydrophobicContact CD1-CZ3 4.41Å
152P67.6Low62.2Low63 Ų6350.1 Ų50.141%0.40929%0.288SS..  trans-69.5121.317924.2-30.4000111N154 L155P152-N154 PolarHBondContact O-N 2.84Å; P152-L155 PolarHBondContact O-N 2.65Å
153S57Low59.1Low70 Ų7055 Ų5549%0.4931%0.314SS..THydrogen-bonded Turntrans-56-21.4-178.660.50000114.8I151I151-S153 PolarHBondContact O-N 3.4Å
154N46.5Very low55.9Low119 Ų11960.3 Ų60.364%0.63634%0.339SS*.THydrogen-bonded Turntrans-83.2-10.7-175.9-75.5-8.7000114.7P152 E156 S157 T158P152-N154 PolarHBondContact O-N 2.84Å; N154-E156 PolarHBondContact O-N 3.17Å; N154-S157 PolarHBondContact O-N 2.85Å; N154-S157 PolarHBondContact O-OG 2.79Å; N154-S157 VanDerWaalsContact O-OG 3.06Å; N154-T158 PolarHBondContact O-OG1 2.98Å
155L43.6Very low52.7Low56 Ų5667 Ų6729%0.29337%0.374SS..THydrogen-bonded Turntrans-68.7-24-174.9-149.272.2000112.8P152 T158 L185P152-L155 PolarHBondContact O-N 2.65Å; L155-T158 PolarHBondContact O-OG1 3.39Å; L155-L185 HydrophobicContact CD2-CB 4.27Å; L155-L185 HydrophobicContact CD2-CD1 3.64Å
156E42.7Very low49.5Very low71 Ų7174.3 Ų74.333%0.33241%0.413SS..THydrogen-bonded Turntrans-87.7-29.7-179.4-68.2178.7-147.300113.6N154 T158 C159 S160 R219N154-E156 PolarHBondContact O-N 3.17Å; E156-T158 PolarHBondContact O-N 2.93Å; E156-C159 WeakPolarHBondContact O-CA 3.09Å; E156-C159 VanDerWaalsContact O-CB 3.24Å; E156-C159 WeakPolarHBondContact O-CB 3.48Å; E156-C159 PolarHBondContact O-N 3.1Å; E156-S160 PolarHBondContact O-N 3.08Å; E156-R219 IonicContact OE1-CZ 3.74Å; E156-R219 IonicContact OE1-NH1 3.4Å; E156-R219 PolarHBondContact OE1-NH1 3.42Å; E156-R219 IonicContact OE1-NH2 3.71Å; E156-R219 PolarHBondContact OE1-NH2 2.95Å; E156-R219 IonicContact OE2-CZ 2.64Å; E156-R219 IonicContact OE2-NH2 3.31Å; E156-R219 PolarHBondContact OE2-NH2 3.49Å
157S34.4Very low46.6Very low52 Ų5278.6 Ų78.636%0.36445%0.45SS..Hα-helixtrans-64.8-25.3177.175.50000112.8N154 C159 S160 K161N154-S157 PolarHBondContact O-N 2.85Å; N154-S157 PolarHBondContact O-OG 2.79Å; N154-S157 VanDerWaalsContact O-OG 3.06Å; S157-C159 VanDerWaalsContact C-N 3.34Å; S157-S160 PolarHBondContact O-N 2.81Å; S157-K161 PolarHBondContact O-N 3.47Å
158T26.9Very low43.7Very low58 Ų5883 Ų8336%0.35648%0.477SS..Hα-helixtrans-69.9-29.9170.424.70000112.4N154 L155 E156 S160 K161 T162N154-T158 PolarHBondContact O-OG1 2.98Å; L155-T158 PolarHBondContact O-OG1 3.39Å; E156-T158 PolarHBondContact O-N 2.93Å; T158-S160 VanDerWaalsContact C-N 3.35Å; T158-K161 PolarHBondContact O-N 2.95Å; T158-T162 PolarHBondContact O-N 2.79Å; T158-T162 PolarHBondContact O-OG1 3.12Å
159C29.5Very low40.9Very low64 Ų6492.4 Ų92.443%0.43252%0.522SS..Hα-helixtrans-71-31.3175.9-148.30000111.8E156 S157E156-C159 WeakPolarHBondContact O-CA 3.09Å; E156-C159 VanDerWaalsContact O-CB 3.24Å; E156-C159 WeakPolarHBondContact O-CB 3.48Å; E156-C159 PolarHBondContact O-N 3.1Å; S157-C159 VanDerWaalsContact C-N 3.34Å
160S27.3Very low37.8Very low88 Ų8899.7 Ų99.762%0.61556%0.56SS**Hα-helixtrans-77.6-29.9173.1-40.70000113.3E156 S157 T158E156-S160 PolarHBondContact O-N 3.08Å; S157-S160 PolarHBondContact O-N 2.81Å; T158-S160 VanDerWaalsContact C-N 3.35Å
161K25.4Very low35Very low161 Ų161106.9 Ų106.970%0.760%0.595SS**Hα-helixtrans-86.4-24.7-177.9-75.4178.7179.4174.30114.2S157 T158 L163 H164S157-K161 PolarHBondContact O-N 3.47Å; T158-K161 PolarHBondContact O-N 2.95Å; K161-L163 PolarHBondContact O-N 3.45Å; K161-H164 PolarHBondContact O-N 3.36Å
162T26.3Very low32.3Very low94 Ų94114.9 Ų114.958%0.57763%0.63SS**G310 helixtrans-75.6-5.9175.244.40000114T158 H164T158-T162 PolarHBondContact O-N 2.79Å; T158-T162 PolarHBondContact O-OG1 3.12Å; T162-H164 PolarHBondContact O-N 3.23Å; T162-H164 VanDerWaalsContact O-N 3.11Å
163L27.9Very low30.1Very low126 Ų126120 Ų12066%0.6665%0.649SS**G310 helixtrans-64.8-8.5169.5-78.9167.1000114K161K161-L163 PolarHBondContact O-N 3.45Å
164H24.4Very low28.5Very low177 Ų177121.2 Ų121.282%0.81966%0.657SS**G310 helixtrans-112.23.4-176.7-113.7-71000117.4K161 T162K161-H164 PolarHBondContact O-N 3.36Å; T162-H164 PolarHBondContact O-N 3.23Å; T162-H164 VanDerWaalsContact O-N 3.11Å
165L22.6Very low27.5Very low141 Ų141121.3 Ų121.374%0.73866%0.664SS**SBendtrans-139.7104.3-177.9-73.3167000113.8
166N25.9Very low26.6Very low153 Ų153124 Ų12482%0.81868%0.683SS**  trans145.781.7137.3-77-12.1000111.5T168N166-T168 VanDerWaalsContact C-N 3.34Å; N166-T168 PolarHBondContact O-N 2.76Å; N166-T168 VanDerWaalsContact O-N 3.13Å
167A27.2Very low25.7Very low101 Ų101124.4 Ų124.484%0.83569%0.693SS**  trans-78.677.4168.500000110.2
168T27.1Very low25.4Very low126 Ų126125.5 Ų125.577%0.77369%0.693SS**  trans177.485.8156.141.80000109.7N166N166-T168 VanDerWaalsContact C-N 3.34Å; N166-T168 PolarHBondContact O-N 2.76Å; N166-T168 VanDerWaalsContact O-N 3.13Å
169Q26.9Very low25.5Very low199 Ų199131.3 Ų131.393%0.9372%0.722SS**  trans176.3106.4145.5-97.8166.917.300108.1
170L22.9Very low25.4Very low152 Ų152133.1 Ų133.180%0.79672%0.724SS**  trans-97106.9-176.7-78.9154000108.4
171N23.4Very low25.5Very low164 Ų164132 Ų13288%0.87772%0.717SS**  trans-136.2134.6156.3-99.5-16.6000109.7Q173N171-Q173 PolarHBondContact O-N 3.2Å
172F22.9Very low26.2Very low178 Ų178126.4 Ų126.478%0.78170%0.697SS**  trans-73.8100.1-174.7-84.3-99.8000111
173Q21.7Very low27.2Very low171 Ų171124.5 Ų124.580%0.79969%0.688SS**SBendtrans-135.5152.7151.5-73.4-177.5-27.200107.1N171N171-Q173 PolarHBondContact O-N 3.2Å
174S24.1Very low28.5Very low95 Ų95121.5 Ų121.566%0.66467%0.674SS**SBendtrans-37.2143170.127.90000110.5T176S174-T176 PolarHBondContact O-N 3.23Å; S174-T176 PolarHBondContact O-OG1 3.3Å
175P24.9Very low30.1Very low121 Ų121114.2 Ų114.279%0.78664%0.641SS**  trans-65.684.2-170.728-33.8000110.9C177P175-C177 PolarHBondContact O-N 2.84Å
176T24Very low32Very low113 Ų113108.4 Ų108.469%0.69361%0.611SS**  trans-72.274.6160.841.50000106.5S174 I178S174-T176 PolarHBondContact O-N 3.23Å; S174-T176 PolarHBondContact O-OG1 3.3Å; T176-I178 PolarHBondContact O-N 3.01Å
177C25.1Very low33.9Very low79 Ų79108 Ų10853%0.53460%0.604SS.*  trans-72.361.3168.6-74.20000110P175P175-C177 PolarHBondContact O-N 2.84Å
178I27.7Very low36Very low74 Ų74106.1 Ų106.138%0.37958%0.583SS.*  trans-147.990.5169.7-35176.5000110.6T176 Q180 P182T176-I178 PolarHBondContact O-N 3.01Å; I178-Q180 HydrophobicContact CG2-CB 4.41Å; I178-Q180 WeakPolarHBondContact CG2-O 3.38Å; I178-Q180 PolarHBondContact O-N 3.4Å; I178-P182 HydrophobicContact CD1-CB 4.18Å; I178-P182 HydrophobicContact CD1-CG 4.19Å
179N27.8Very low38.6Very low180 Ų180100.9 Ų100.996%0.96355%0.549SS*.SBendtrans-77.517.7166-90.7-19.4000112.8
180Q28.2Very low41.3Very low102 Ų10293.8 Ų93.848%0.47752%0.518SS..SBendtrans-127.4106.3164.8-77.4-176.3-16.700106.7I178 P182I178-Q180 HydrophobicContact CG2-CB 4.41Å; I178-Q180 WeakPolarHBondContact CG2-O 3.38Å; I178-Q180 PolarHBondContact O-N 3.4Å; Q180-P182 VanDerWaalsContact O-N 3.13Å
181S29.8Very low44.3Very low65 Ų6586.8 Ų86.846%0.45548%0.481SS..  trans-42.7121.6-174.7530000112.1S183 T184S181-S183 WeakPolarHBondContact CB-OG 3.27Å; S181-S183 PolarHBondContact O-N 2.91Å; S181-S183 PolarHBondContact O-OG 3.02Å; S181-S183 PolarHBondContact OG-OG 3.24Å; S181-T184 PolarHBondContact O-N 3.07Å; S181-T184 PolarHBondContact O-OG1 3.46Å
182P39.6Very low47.1Very low43 Ų4381.7 Ų81.728%0.27946%0.456SS..THydrogen-bonded Turntrans-54.3-18.3179.815.4-28.6000113.6I178 Q180 T184 L185 I186 E222I178-P182 HydrophobicContact CD1-CB 4.18Å; I178-P182 HydrophobicContact CD1-CG 4.19Å; Q180-P182 VanDerWaalsContact O-N 3.13Å; P182-T184 PolarHBondContact O-N 2.87Å; P182-T184 VanDerWaalsContact O-N 3.11Å; P182-L185 PolarHBondContact O-N 3.41Å; P182-L185 VanDerWaalsContact O-N 3.16Å; P182-I186 WeakPolarHBondContact O-CG1 3.27Å; P182-I186 PolarHBondContact O-N 2.95Å; P182-E222 VanDerWaalsContact CB-OE2 3.23Å; P182-E222 WeakPolarHBondContact CB-OE2 3.47Å
183S47.9Very low49.9Very low55 Ų5574 Ų7439%0.38542%0.423SS..Hα-helixtrans-49.7-30.2165.860.40000114.6S181 Q187S181-S183 WeakPolarHBondContact CB-OG 3.27Å; S181-S183 PolarHBondContact O-N 2.91Å; S181-S183 PolarHBondContact O-OG 3.02Å; S181-S183 PolarHBondContact OG-OG 3.24Å; S183-Q187 VanDerWaalsContact O-CG 3.28Å; S183-Q187 WeakPolarHBondContact O-CG 3.26Å; S183-Q187 PolarHBondContact O-N 3.48Å
184T54.1Low52.8Low62 Ų6266.6 Ų66.638%0.3839%0.39SS..Hα-helixtrans-72.3-42178.144.60000112.8S181 P182 T188S181-T184 PolarHBondContact O-N 3.07Å; S181-T184 PolarHBondContact O-OG1 3.46Å; P182-T184 PolarHBondContact O-N 2.87Å; P182-T184 VanDerWaalsContact O-N 3.11Å; T184-T188 WeakPolarHBondContact O-CG2 3.24Å; T184-T188 PolarHBondContact O-N 3.18Å
185L57.6Low55.4Low24 Ų2470.2 Ų70.213%0.12640%0.402CS..Hα-helixtrans-62.9-48176.3-175.482.4000110.2I151 L155 P182 Q187 T188 R219 I223I151-L185 HydrophobicContact CG2-CD1 3.9Å; L155-L185 HydrophobicContact CD2-CB 4.27Å; L155-L185 HydrophobicContact CD2-CD1 3.64Å; P182-L185 PolarHBondContact O-N 3.41Å; P182-L185 VanDerWaalsContact O-N 3.16Å; L185-Q187 VanDerWaalsContact C-N 3.28Å; L185-Q187 PolarHBondContact O-N 3.49Å; L185-T188 PolarHBondContact O-N 3.03Å; L185-T188 PolarHBondContact O-OG1 2.93Å; L185-R219 HydrophobicContact CD2-CG 4.11Å; L185-I223 HydrophobicContact CD2-CD1 4.43Å
186I64.1Low58.2Low19 Ų1968.1 Ų68.110%0.09738%0.384CS..Hα-helixtrans-60.6-38.2-175-64.1168.5000111.7P182 T188 I223 Y226P182-I186 WeakPolarHBondContact O-CG1 3.27Å; P182-I186 PolarHBondContact O-N 2.95Å; I186-T188 VanDerWaalsContact C-N 3.31Å; I186-T188 PolarHBondContact O-N 3.36Å; I186-I223 HydrophobicContact CG1-CG1 4.25Å; I186-Y226 HydrophobicContact CD1-CG 4.29Å; I186-Y226 HydrophobicContact CG2-CD1 3.11Å; I186-Y226 HydrophobicContact CG2-CD2 4.11Å; I186-Y226 HydrophobicContact CG2-CE1 3.4Å; I186-Y226 HydrophobicContact CG2-CE2 4.33Å; I186-Y226 HydrophobicContact CG2-CG 3.51Å
187Q65Low61.2Low144 Ų14466 Ų6667%0.67337%0.368SS*.Hα-helixtrans-75.7-16.5177.9-71177.11.100113.9S183 L185S183-Q187 VanDerWaalsContact O-CG 3.28Å; S183-Q187 WeakPolarHBondContact O-CG 3.26Å; S183-Q187 PolarHBondContact O-N 3.48Å; L185-Q187 VanDerWaalsContact C-N 3.28Å; L185-Q187 PolarHBondContact O-N 3.49Å
188T71Confident64.1Low63 Ų6364 Ų6439%0.38735%0.352SS..Hα-helixtrans-85.7-11.2179.858.10000114.3T184 L185 I186 D190T184-T188 WeakPolarHBondContact O-CG2 3.24Å; T184-T188 PolarHBondContact O-N 3.18Å; L185-T188 PolarHBondContact O-N 3.03Å; L185-T188 PolarHBondContact O-OG1 2.93Å; I186-T188 VanDerWaalsContact C-N 3.31Å; I186-T188 PolarHBondContact O-N 3.36Å; T188-D190 PolarHBondContact O-N 3.37Å
189I81.9Confident67Low15 Ų1560.8 Ų60.88%0.07734%0.335CS..  trans-74.3114.9-177.3-57.2173.8000109.3L149 I151 L191 W207 I223 W227L149-I189 HydrophobicContact CB-CG2 4.43Å; L149-I189 HydrophobicContact CD2-CG2 3.95Å; I151-I189 HydrophobicContact CD1-CG1 4.11Å; I151-I189 HydrophobicContact CG1-CG1 4.12Å; I189-L191 HydrophobicContact CG2-CD2 3.93Å; I189-L191 HydrophobicContact CG2-CG 4.36Å; I189-L191 PolarHBondContact O-N 3.38Å; I189-W207 HydrophobicContact CD1-CH2 3.85Å; I189-W207 HydrophobicContact CD1-CZ3 3.93Å; I189-I223 HydrophobicContact CD1-CD1 3.92Å; I189-I223 HydrophobicContact CD1-CG1 4.37Å; I189-I223 HydrophobicContact CD1-CG2 4.4Å; I189-W227 HydrophobicContact CD1-CZ2 4.1Å; I189-W227 HydrophobicContact CG2-CZ2 4.39Å
190D83.2Confident69.9Low50 Ų5052.2 Ų52.227%0.26729%0.29SS..  trans-76.8107.2170.5-176.211000109.5R117 L149 T188 T192 L193R117-D190 IonicContact NH1-OD2 3.67Å; L149-D190 WeakPolarHBondContact O-CB 3.31Å; L149-D190 PolarHBondContact O-N 2.96Å; T188-D190 PolarHBondContact O-N 3.37Å; D190-T192 VanDerWaalsContact C-N 3.34Å; D190-T192 WeakPolarHBondContact OD1-CA 3.37Å; D190-T192 PolarHBondContact OD1-N 3.07Å; D190-T192 PolarHBondContact OD1-OG1 3.06Å; D190-T192 VanDerWaalsContact OD1-OG1 3.04Å; D190-L193 HydrophobicContact CB-CG 4.46Å; D190-L193 WeakPolarHBondContact O-CD1 3.39Å; D190-L193 WeakPolarHBondContact O-CD2 3.45Å; D190-L193 WeakPolarHBondContact O-CG 3.44Å
191L85.7Confident72.9Confident6 Ų649.1 Ų49.13%0.03127%0.274CS..SBendtrans-85.7-8.3174.5-64.1175.4000112.5I189 C200 V204 W227 L263 A267 L271I189-L191 HydrophobicContact CG2-CD2 3.93Å; I189-L191 HydrophobicContact CG2-CG 4.36Å; I189-L191 PolarHBondContact O-N 3.38Å; L191-C200 WeakPolarHBondContact O-CB 3.41Å; L191-V204 HydrophobicContact CD2-CG2 3.71Å; L191-W227 HydrophobicContact CD2-CH2 4.16Å; L191-W227 HydrophobicContact CD2-CZ2 3.78Å; L191-L263 HydrophobicContact CD1-CD1 4.13Å; L191-L263 HydrophobicContact CD1-CD2 4.44Å; L191-A267 HydrophobicContact CB-CB 3.87Å; L191-A267 HydrophobicContact CD1-CB 4.06Å; L191-L271 HydrophobicContact CD1-CD1 4.12Å; L191-L271 HydrophobicContact CD1-CD2 3.93Å; L191-L271 HydrophobicContact CD1-CG 3.98Å; L191-L271 HydrophobicContact CD2-CD2 4.47Å
192T83.4Confident75.8Confident57 Ų5750 Ų5035%0.3527%0.267SS..  trans-119.947-171.149.60000111.9D190 S194 N266 A267D190-T192 VanDerWaalsContact C-N 3.34Å; D190-T192 WeakPolarHBondContact OD1-CA 3.37Å; D190-T192 PolarHBondContact OD1-N 3.07Å; D190-T192 PolarHBondContact OD1-OG1 3.06Å; D190-T192 VanDerWaalsContact OD1-OG1 3.04Å; T192-S194 VanDerWaalsContact C-N 3.32Å; T192-S194 PolarHBondContact O-N 3.33Å; T192-N266 HydrophobicContact CG2-CB 3.49Å; T192-N266 VanDerWaalsContact CG2-CB 3.49Å; T192-A267 HydrophobicContact CG2-CB 4.03Å
193L81.4Confident78.2Confident17 Ų1747.9 Ų47.99%0.08925%0.254CS..  trans-69.6-32.1-169.3-35.697.1000113I122 C148 L149 D190 C200I122-L193 HydrophobicContact CD1-CB 3.8Å; I122-L193 WeakPolarHBondContact CD1-O 3.5Å; C148-L193 HydrophobicContact CB-CD2 4.12Å; C148-L193 WeakPolarHBondContact O-CD2 3.34Å; L149-L193 VanDerWaalsContact CA-CD2 3.47Å; L149-L193 HydrophobicContact CB-CD2 4.5Å; L149-L193 HydrophobicContact CD2-CD1 4.4Å; L149-L193 HydrophobicContact CD2-CD2 4.05Å; L149-L193 HydrophobicContact CG-CD2 4.38Å; D190-L193 HydrophobicContact CB-CG 4.46Å; D190-L193 WeakPolarHBondContact O-CD1 3.39Å; D190-L193 WeakPolarHBondContact O-CD2 3.45Å; D190-L193 WeakPolarHBondContact O-CG 3.44Å; L193-C200 HydrophobicContact CD1-CB 3.91Å
194S81.7Confident80.3Confident15 Ų1545.3 Ų45.311%0.10524%0.235CC..SBendtrans-133.2156.6-176.6-175.40000109.6T192 D196 C200T192-S194 VanDerWaalsContact C-N 3.32Å; T192-S194 PolarHBondContact O-N 3.33Å; S194-D196 PolarHBondContact O-N 3.35Å; S194-D196 PolarHBondContact OG-N 3.28Å; S194-C200 PolarHBondContact N-SG 2.93Å; S194-C200 VanDerWaalsContact N-SG 3.43Å; S194-C200 PolarHBondContact O-SG 2.83Å
195N79.9Confident82.2Confident170 Ų17042.5 Ų42.591%0.90922%0.218SC*.SBendtrans-64.7-17.1168.8-64-13.5000112.1I197N195-I197 PolarHBondContact O-N 2.97Å
196D83.5Confident83.8Confident78 Ų7842.4 Ų42.442%0.41722%0.218SC..  trans-84.6100.5173.7-173.8-19.2000110S194 D198 L199 C200S194-D196 PolarHBondContact O-N 3.35Å; S194-D196 PolarHBondContact OG-N 3.28Å; D196-D198 PolarHBondContact O-N 3.48Å; D196-D198 PolarHBondContact OD1-N 2.84Å; D196-L199 HydrophobicContact CB-CB 3.82Å; D196-L199 PolarHBondContact O-N 3.09Å; D196-L199 PolarHBondContact OD1-N 3.29Å; D196-C200 PolarHBondContact O-N 2.92Å; D196-C200 VanDerWaalsContact O-N 3.12Å; D196-C200 PolarHBondContact O-SG 3.22Å
197I86.7Confident85.2Confident67 Ų6741.6 Ų41.634%0.34421%0.213SC..Hα-helixtrans-60.8-35.5179.3-64175.7000111N195 C200 R201 V270N195-I197 PolarHBondContact O-N 2.97Å; I197-C200 WeakPolarHBondContact O-CB 3.43Å; I197-C200 PolarHBondContact O-N 3.41Å; I197-R201 WeakPolarHBondContact O-CG 3.19Å; I197-R201 PolarHBondContact O-N 2.86Å; I197-V270 HydrophobicContact CG2-CG2 3.88Å
198D86.2Confident86.6Confident37 Ų3734.8 Ų34.820%0.19818%0.181CC..Hα-helixtrans-74.3-36.2-178.5-68.4-39.7000111.6D196 C200 R201 R202 I363D196-D198 PolarHBondContact O-N 3.48Å; D196-D198 PolarHBondContact OD1-N 2.84Å; D198-C200 VanDerWaalsContact C-N 3.33Å; D198-R201 PolarHBondContact O-N 3.32Å; D198-R201 IonicContact OD1-CZ 3.91Å; D198-R201 IonicContact OD1-NH1 3.78Å; D198-R201 PolarHBondContact OD1-NH1 3.5Å; D198-R202 VanDerWaalsContact O-CG 3.31Å; D198-R202 WeakPolarHBondContact O-CG 3.23Å; D198-R202 PolarHBondContact O-N 3.1Å; D198-I363 HydrophobicContact CB-CD1 4.03Å; D198-I363 WeakPolarHBondContact OD2-CD1 2.99Å
199L87.5Confident87.4Confident7 Ų731.9 Ų31.94%0.03716%0.163CC..Hα-helixtrans-60.5-43.9169.3-179.162.2000111.4I122 N123 Y126 D196 R201 R202 I203I122-L199 HydrophobicContact CG2-CD2 4.06Å; N123-L199 VanDerWaalsContact OD1-CD2 3.3Å; N123-L199 WeakPolarHBondContact OD1-CD2 3.43Å; Y126-L199 HydrophobicContact CD1-CD1 3.66Å; Y126-L199 HydrophobicContact CD2-CD1 4.5Å; Y126-L199 HydrophobicContact CE1-CD1 4.11Å; Y126-L199 HydrophobicContact CG-CD1 3.88Å; D196-L199 HydrophobicContact CB-CB 3.82Å; D196-L199 PolarHBondContact O-N 3.09Å; D196-L199 PolarHBondContact OD1-N 3.29Å; L199-R201 VanDerWaalsContact C-N 3.34Å; L199-R201 PolarHBondContact O-N 3.38Å; L199-R202 PolarHBondContact O-N 2.89Å; L199-I203 HydrophobicContact CD1-CD1 4.19Å; L199-I203 HydrophobicContact CD1-CG1 4.37Å; L199-I203 HydrophobicContact CG-CD1 3.94Å; L199-I203 WeakPolarHBondContact O-CG1 3.38Å; L199-I203 PolarHBondContact O-N 3.2Å
200C89.2Confident87.7Confident1 Ų131.1 Ų31.11%0.00716%0.16CC..Hα-helixtrans-58.1-46.9175.7-64.40000111.3L191 L193 S194 D196 I197 D198 R202 I203 V204 V270L191-C200 WeakPolarHBondContact O-CB 3.41Å; L193-C200 HydrophobicContact CD1-CB 3.91Å; S194-C200 PolarHBondContact N-SG 2.93Å; S194-C200 VanDerWaalsContact N-SG 3.43Å; S194-C200 PolarHBondContact O-SG 2.83Å; D196-C200 PolarHBondContact O-N 2.92Å; D196-C200 VanDerWaalsContact O-N 3.12Å; D196-C200 PolarHBondContact O-SG 3.22Å; I197-C200 WeakPolarHBondContact O-CB 3.43Å; I197-C200 PolarHBondContact O-N 3.41Å; D198-C200 VanDerWaalsContact C-N 3.33Å; C200-R202 PolarHBondContact O-N 2.84Å; C200-I203 PolarHBondContact O-N 3Å; C200-V204 WeakPolarHBondContact O-CG2 3.37Å; C200-V204 PolarHBondContact O-N 3.34Å; C200-V204 VanDerWaalsContact O-N 3.08Å; C200-V270 HydrophobicContact CB-CG1 4.37Å; C200-V270 HydrophobicContact CB-CG2 4.03Å
201R91.8Very high88Confident37 Ų3728.8 Ų28.814%0.1415%0.147CC..Hα-helixtrans-57.8-46.6175.1-71.2170.1-177.4157.4-1.5112.2I197 D198 L199 I203 V204 L205 S269 V270 I274 W365I197-R201 WeakPolarHBondContact O-CG 3.19Å; I197-R201 PolarHBondContact O-N 2.86Å; D198-R201 PolarHBondContact O-N 3.32Å; D198-R201 IonicContact OD1-CZ 3.91Å; D198-R201 IonicContact OD1-NH1 3.78Å; D198-R201 PolarHBondContact OD1-NH1 3.5Å; L199-R201 VanDerWaalsContact C-N 3.34Å; L199-R201 PolarHBondContact O-N 3.38Å; R201-I203 PolarHBondContact O-N 2.76Å; R201-V204 PolarHBondContact O-N 3.32Å; R201-L205 WeakPolarHBondContact O-CG 3.3Å; R201-L205 PolarHBondContact O-N 2.75Å; R201-S269 PolarHBondContact NH2-O 3.39Å; R201-V270 HydrophobicContact CG-CG1 3.9Å; R201-V270 PolarHBondContact NE-O 3.35Å; R201-I274 HydrophobicContact CB-CG2 3.74Å; R201-I274 HydrophobicContact CG-CG1 4.44Å; R201-I274 HydrophobicContact CG-CG2 3.78Å; R201-W365 HydrophobicContact CB-CH2 3.59Å; R201-W365 HydrophobicContact CB-CZ2 3.4Å; R201-W365 VanDerWaalsContact CB-CZ2 3.4Å; R201-W365 HydrophobicContact CG-CZ2 4.11Å
202R89.4Confident87.9Confident82 Ų8228.9 Ų28.931%0.30915%0.148SC..Hα-helixtrans-61.2-43.2178.7-72.2175.8179.9174.7-0.4112.8Y126 D198 L199 C200 V204 L205 L206 W365 P1045Y126-R202 HydrophobicContact CE2-CB 3.91Å; D198-R202 VanDerWaalsContact O-CG 3.31Å; D198-R202 WeakPolarHBondContact O-CG 3.23Å; D198-R202 PolarHBondContact O-N 3.1Å; L199-R202 PolarHBondContact O-N 2.89Å; C200-R202 PolarHBondContact O-N 2.84Å; R202-V204 VanDerWaalsContact C-N 3.34Å; R202-L205 PolarHBondContact O-N 3.05Å; R202-L206 VanDerWaalsContact O-CB 3.31Å; R202-L206 WeakPolarHBondContact O-CB 3.36Å; R202-L206 PolarHBondContact O-N 2.97Å; R202-W365 HydrophobicContact CG-CH2 3.81Å; R202-P1045 HydrophobicContact CG-CG 4.46Å
203I91.5Very high87.8Confident0 Ų027.7 Ų27.70%014%0.137CC..Hα-helixtrans-61.4-45.8177.4-69.8165.6000110.2I122 Y126 L145 C148 L149 L199 C200 R201 L206 W207I122-I203 HydrophobicContact CG2-CD1 3.5Å; I122-I203 VanDerWaalsContact CG2-CD1 3.5Å; Y126-I203 HydrophobicContact CD2-CG1 3.52Å; Y126-I203 HydrophobicContact CE2-CG1 4.24Å; Y126-I203 HydrophobicContact CG-CG1 4.05Å; L145-I203 HydrophobicContact CD2-CG2 4.06Å; C148-I203 HydrophobicContact CB-CG2 4.05Å; L149-I203 HydrophobicContact CD2-CG2 4.07Å; L149-I203 HydrophobicContact CG-CG2 4.06Å; L199-I203 HydrophobicContact CD1-CD1 4.19Å; L199-I203 HydrophobicContact CD1-CG1 4.37Å; L199-I203 HydrophobicContact CG-CD1 3.94Å; L199-I203 WeakPolarHBondContact O-CG1 3.38Å; L199-I203 PolarHBondContact O-N 3.2Å; C200-I203 PolarHBondContact O-N 3Å; R201-I203 PolarHBondContact O-N 2.76Å; I203-L206 PolarHBondContact O-N 3.27Å; I203-W207 VanDerWaalsContact O-CB 3.27Å; I203-W207 WeakPolarHBondContact O-CB 3.38Å; I203-W207 PolarHBondContact O-N 2.81Å
204V92.2Very high87.8Confident0 Ų028.8 Ų28.80%014%0.143CC..Hα-helixtrans-60.8-50.2179170.50000111.1L149 L191 C200 R201 R202 L206 W207 L208 W227 I274L149-V204 HydrophobicContact CD2-CG2 4.13Å; L191-V204 HydrophobicContact CD2-CG2 3.71Å; C200-V204 WeakPolarHBondContact O-CG2 3.37Å; C200-V204 PolarHBondContact O-N 3.34Å; C200-V204 VanDerWaalsContact O-N 3.08Å; R201-V204 PolarHBondContact O-N 3.32Å; R202-V204 VanDerWaalsContact C-N 3.34Å; V204-L206 PolarHBondContact O-N 2.94Å; V204-W207 PolarHBondContact O-N 3.29Å; V204-L208 HydrophobicContact CG1-CD1 4.44Å; V204-L208 WeakPolarHBondContact O-CG 3.32Å; V204-L208 PolarHBondContact O-N 3.29Å; V204-W227 HydrophobicContact CG1-CH2 3.58Å; V204-W227 HydrophobicContact CG1-CZ3 3.51Å; V204-I274 HydrophobicContact CB-CD1 4.27Å; V204-I274 HydrophobicContact CG1-CD1 3.88Å
205L92.6Very high87.6Confident3 Ų331.3 Ų31.32%0.01615%0.152CC..Hα-helixtrans-65-41.7-179.2-63.7-171.8000112.6R201 R202 W207 L208 E209 I274 P277 Y281 W365R201-L205 WeakPolarHBondContact O-CG 3.3Å; R201-L205 PolarHBondContact O-N 2.75Å; R202-L205 PolarHBondContact O-N 3.05Å; L205-W207 VanDerWaalsContact C-N 3.29Å; L205-W207 PolarHBondContact O-N 3.23Å; L205-L208 HydrophobicContact CD2-CD1 4.49Å; L205-L208 PolarHBondContact O-N 3.04Å; L205-E209 PolarHBondContact O-N 3.22Å; L205-I274 HydrophobicContact CD1-CG2 4.02Å; L205-I274 HydrophobicContact CD2-CB 4.21Å; L205-I274 HydrophobicContact CD2-CD1 3.92Å; L205-I274 HydrophobicContact CD2-CG2 4.39Å; L205-I274 HydrophobicContact CG-CD1 4.35Å; L205-I274 HydrophobicContact CG-CG2 4.28Å; L205-P277 HydrophobicContact CD1-CB 4.04Å; L205-P277 HydrophobicContact CD1-CG 4.28Å; L205-P277 HydrophobicContact CD2-CB 3.67Å; L205-Y281 HydrophobicContact CD2-CD2 4.32Å; L205-Y281 HydrophobicContact CD2-CE2 3.93Å; L205-Y281 PolarHBondContact O-OH 3.39Å; L205-W365 HydrophobicContact CD1-CE3 3.47Å; L205-W365 VanDerWaalsContact CD1-CE3 3.47Å; L205-W365 HydrophobicContact CD1-CH2 4.32Å; L205-W365 HydrophobicContact CD1-CZ3 3.33Å; L205-W365 HydrophobicContact CG-CZ3 4.42Å
206L91.9Very high87.8Confident23 Ų2325.1 Ų25.112%0.1212%0.119CC..Hα-helixtrans-62.9-39.7176.3-177.661.3000111.2Y126 A129 V130 F133 L145 R202 I203 V204 E209 V210Y126-L206 HydrophobicContact CD2-CD2 4.27Å; Y126-L206 HydrophobicContact CE2-CD2 3.94Å; A129-L206 HydrophobicContact CB-CD2 4.42Å; V130-L206 HydrophobicContact CG2-CD2 3.69Å; F133-L206 HydrophobicContact CB-CD1 4.02Å; F133-L206 HydrophobicContact CD1-CD1 3.94Å; F133-L206 HydrophobicContact CD2-CD1 3.88Å; F133-L206 HydrophobicContact CE1-CD1 4.4Å; F133-L206 HydrophobicContact CE2-CD1 4.35Å; F133-L206 HydrophobicContact CG-CD1 3.66Å; L145-L206 HydrophobicContact CD1-CB 4.46Å; L145-L206 HydrophobicContact CD1-CD2 4.16Å; L145-L206 HydrophobicContact CD1-CG 3.89Å; L145-L206 HydrophobicContact CD2-CD2 4.13Å; L145-L206 HydrophobicContact CD2-CG 4.5Å; R202-L206 VanDerWaalsContact O-CB 3.31Å; R202-L206 WeakPolarHBondContact O-CB 3.36Å; R202-L206 PolarHBondContact O-N 2.97Å; I203-L206 PolarHBondContact O-N 3.27Å; V204-L206 PolarHBondContact O-N 2.94Å; L206-E209 PolarHBondContact O-N 3.2Å; L206-V210 HydrophobicContact CD1-CG2 4.42Å; L206-V210 HydrophobicContact CG-CG2 4.47Å; L206-V210 WeakPolarHBondContact O-CB 3.25Å; L206-V210 VanDerWaalsContact O-CG2 3.27Å; L206-V210 WeakPolarHBondContact O-CG2 3.17Å; L206-V210 PolarHBondContact O-N 3.26Å
207W94.2Very high87.8Confident2 Ų223.4 Ų23.41%0.00811%0.109CC..Hα-helixtrans-66.8-39177.1178.764.7000112.9L145 L149 I151 I189 I203 V204 L205 V210 S211 I223L145-W207 HydrophobicContact CB-CB 4.21Å; L145-W207 HydrophobicContact CB-CG 4.35Å; L145-W207 HydrophobicContact CD1-CB 4.13Å; L149-W207 HydrophobicContact CD1-CB 3.77Å; L149-W207 HydrophobicContact CD1-CD2 3.34Å; L149-W207 HydrophobicContact CD1-CE3 3.6Å; L149-W207 HydrophobicContact CD1-CG 3.41Å; L149-W207 VanDerWaalsContact CD1-CG 3.41Å; L149-W207 HydrophobicContact CD1-CZ3 4.3Å; I151-W207 HydrophobicContact CD1-CH2 3.59Å; I151-W207 HydrophobicContact CD1-CZ2 3.3Å; I151-W207 HydrophobicContact CD1-CZ3 4.41Å; I189-W207 HydrophobicContact CD1-CH2 3.85Å; I189-W207 HydrophobicContact CD1-CZ3 3.93Å; I203-W207 VanDerWaalsContact O-CB 3.27Å; I203-W207 WeakPolarHBondContact O-CB 3.38Å; I203-W207 PolarHBondContact O-N 2.81Å; V204-W207 PolarHBondContact O-N 3.29Å; L205-W207 VanDerWaalsContact C-N 3.29Å; L205-W207 PolarHBondContact O-N 3.23Å; W207-V210 PolarHBondContact O-N 3.48Å; W207-S211 VanDerWaalsContact O-CB 3.3Å; W207-S211 WeakPolarHBondContact O-CB 3.4Å; W207-S211 PolarHBondContact O-N 3.16Å; W207-S211 PolarHBondContact O-OG 2.92Å; W207-I223 HydrophobicContact CH2-CD1 3.33Å; W207-I223 HydrophobicContact CZ2-CD1 4.42Å; W207-I223 HydrophobicContact CZ3-CD1 3.67Å
208L92.8Very high87.8Confident0 Ų024 Ų240%011%0.11CC..Hα-helixtrans-62-43.7172.6-69.1178.7000111.5V204 L205 S211 L212 V220 W227 Y281V204-L208 HydrophobicContact CG1-CD1 4.44Å; V204-L208 WeakPolarHBondContact O-CG 3.32Å; V204-L208 PolarHBondContact O-N 3.29Å; L205-L208 HydrophobicContact CD2-CD1 4.49Å; L205-L208 PolarHBondContact O-N 3.04Å; L208-S211 WeakPolarHBondContact O-CB 3.19Å; L208-S211 PolarHBondContact O-N 2.91Å; L208-L212 PolarHBondContact O-N 2.78Å; L208-V220 HydrophobicContact CD2-CG1 4.32Å; L208-V220 HydrophobicContact CD2-CG2 4.47Å; L208-W227 HydrophobicContact CD1-CZ3 4.12Å; L208-W227 HydrophobicContact CD2-CZ3 4.31Å; L208-Y281 HydrophobicContact CB-CD1 3.85Å; L208-Y281 HydrophobicContact CB-CD2 4.21Å; L208-Y281 HydrophobicContact CB-CE1 3.88Å; L208-Y281 HydrophobicContact CB-CE2 4.26Å; L208-Y281 HydrophobicContact CB-CG 4.05Å; L208-Y281 HydrophobicContact CD1-CD2 3.71Å; L208-Y281 HydrophobicContact CD1-CE2 4.27Å; L208-Y281 HydrophobicContact CD1-CG 3.89Å
209E88.1Confident87.9Confident2 Ų223.7 Ų23.71%0.00911%0.106CC..Hα-helixtrans-64-47.7176.8-17358.1-148.700111.6F133 L205 L206 S211 L212 R213 Y281 R284F133-E209 HydrophobicContact CE2-CB 4.31Å; F133-E209 HydrophobicContact CE2-CG 3.62Å; F133-E209 HydrophobicContact CZ-CG 3.65Å; L205-E209 PolarHBondContact O-N 3.22Å; L206-E209 PolarHBondContact O-N 3.2Å; E209-S211 VanDerWaalsContact C-N 3.26Å; E209-S211 PolarHBondContact O-N 2.65Å; E209-L212 PolarHBondContact O-N 2.87Å; E209-L212 VanDerWaalsContact O-N 3.11Å; E209-R213 HydrophobicContact CG-CG 4.46Å; E209-R213 VanDerWaalsContact O-CG 3.32Å; E209-R213 WeakPolarHBondContact O-CG 3.35Å; E209-R213 PolarHBondContact O-N 3.36Å; E209-R213 IonicContact OE1-CZ 3.63Å; E209-R213 IonicContact OE1-NE 3.76Å; E209-R213 PolarHBondContact OE1-NE 3.48Å; E209-R213 IonicContact OE1-NH2 2.98Å; E209-Y281 HydrophobicContact CB-CE1 4.21Å; E209-Y281 WeakPolarHBondContact OE2-CE1 3.42Å; E209-Y281 PolarHBondContact OE2-OH 3.43Å; E209-R284 VanDerWaalsContact CD-NH1 3.32Å; E209-R284 IonicContact OE1-CZ 3.88Å; E209-R284 IonicContact OE1-NH1 2.63Å; E209-R284 PolarHBondContact OE1-NH1 3.11Å; E209-R284 IonicContact OE1-NH2 2.66Å; E209-R284 PolarHBondContact OE1-NH2 2.96Å; E209-R284 IonicContact OE2-CZ 3.99Å; E209-R284 IonicContact OE2-NH1 3.98Å; E209-R284 PolarHBondContact OE2-NH1 3.38Å; E209-R284 IonicContact OE2-NH2 2.85Å
210V88.9Confident88.1Confident0 Ų023.4 Ų23.40%010%0.104CC..Hα-helixtrans-56.7-42.8175.8167.90000110.7F133 Y138 A141 E142 L145 L206 W207 L212 R213 L214F133-V210 HydrophobicContact CD2-CG2 3.66Å; F133-V210 HydrophobicContact CE2-CG2 4.32Å; Y138-V210 WeakPolarHBondContact O-CG1 3.25Å; A141-V210 HydrophobicContact CB-CG2 4.12Å; E142-V210 HydrophobicContact CB-CG1 3.67Å; E142-V210 HydrophobicContact CG-CG1 4.41Å; L145-V210 HydrophobicContact CD1-CB 4.36Å; L145-V210 HydrophobicContact CD1-CG2 3.93Å; L206-V210 HydrophobicContact CD1-CG2 4.42Å; L206-V210 HydrophobicContact CG-CG2 4.47Å; L206-V210 WeakPolarHBondContact O-CB 3.25Å; L206-V210 VanDerWaalsContact O-CG2 3.27Å; L206-V210 WeakPolarHBondContact O-CG2 3.17Å; L206-V210 PolarHBondContact O-N 3.26Å; W207-V210 PolarHBondContact O-N 3.48Å; V210-L212 VanDerWaalsContact C-N 3.34Å; V210-L212 PolarHBondContact O-N 2.91Å; V210-R213 PolarHBondContact O-N 3.02Å; V210-R213 VanDerWaalsContact O-N 3.17Å; V210-L214 HydrophobicContact CG1-CD1 3.86Å; V210-L214 HydrophobicContact CG1-CG 4.46Å; V210-L214 WeakPolarHBondContact O-CB 3.38Å; V210-L214 WeakPolarHBondContact O-CG 3.3Å; V210-L214 PolarHBondContact O-N 3.49Å
211S89.2Confident88.2Confident1 Ų124.1 Ų24.11%0.00711%0.107CC..Hα-helixtrans-61.1-41.7176.8-620000111.8W207 L208 E209 L214 F215 L216W207-S211 VanDerWaalsContact O-CB 3.3Å; W207-S211 WeakPolarHBondContact O-CB 3.4Å; W207-S211 PolarHBondContact O-N 3.16Å; W207-S211 PolarHBondContact O-OG 2.92Å; L208-S211 WeakPolarHBondContact O-CB 3.19Å; L208-S211 PolarHBondContact O-N 2.91Å; E209-S211 VanDerWaalsContact C-N 3.26Å; E209-S211 PolarHBondContact O-N 2.65Å; S211-L214 CarbonylContact O-C 3.34Å; S211-L214 PolarHBondContact O-N 3.37Å; S211-F215 PolarHBondContact O-N 3.21Å; S211-L216 WeakPolarHBondContact O-CB 3.31Å; S211-L216 PolarHBondContact O-N 2.97Å
212L83.2Confident88.2Confident8 Ų824.2 Ų24.24%0.04211%0.11CC..Hα-helixtrans-64.9-40.8173.6-72.3-173.9000112.4L208 E209 V210 L214 F215 M217 V220 Y281 R284 L288L208-L212 PolarHBondContact O-N 2.78Å; E209-L212 PolarHBondContact O-N 2.87Å; E209-L212 VanDerWaalsContact O-N 3.11Å; V210-L212 VanDerWaalsContact C-N 3.34Å; V210-L212 PolarHBondContact O-N 2.91Å; L212-L214 PolarHBondContact O-N 3.19Å; L212-F215 PolarHBondContact O-N 3.01Å; L212-F215 VanDerWaalsContact O-N 3.1Å; L212-M217 HydrophobicContact CD2-CB 4.4Å; L212-V220 HydrophobicContact CD2-CB 3.86Å; L212-V220 HydrophobicContact CD2-CG1 3.9Å; L212-V220 HydrophobicContact CD2-CG2 3.8Å; L212-V220 HydrophobicContact CG-CB 4.44Å; L212-V220 HydrophobicContact CG-CG1 4.19Å; L212-V220 HydrophobicContact CG-CG2 4.02Å; L212-Y281 HydrophobicContact CD1-CD1 3.67Å; L212-Y281 HydrophobicContact CD1-CE1 4.01Å; L212-Y281 HydrophobicContact CG-CD1 4.47Å; L212-R284 HydrophobicContact CD1-CB 4.4Å; L212-R284 HydrophobicContact CD1-CG 3.93Å; L212-L288 HydrophobicContact CD2-CD1 4.08Å
213R81.1Confident88.3Confident32 Ų3220.4 Ų20.412%0.12110%0.095CC..Hα-helixtrans-65.4-23.5176.5-64.3-66.6-178137.9-10.2113.1F133 Y138 E209 V210 E488F133-R213 HydrophobicContact CE2-CG 4.38Å; Y138-R213 HydrophobicContact CD1-CB 3.89Å; Y138-R213 HydrophobicContact CD1-CG 4.11Å; Y138-R213 HydrophobicContact CD2-CB 3.77Å; Y138-R213 HydrophobicContact CE1-CB 4.07Å; Y138-R213 HydrophobicContact CE1-CG 3.85Å; Y138-R213 HydrophobicContact CE2-CB 3.93Å; Y138-R213 HydrophobicContact CE2-CG 4.27Å; Y138-R213 HydrophobicContact CG-CB 3.74Å; Y138-R213 HydrophobicContact CG-CG 4.43Å; Y138-R213 PolarHBondContact OH-NH1 2.69Å; Y138-R213 VanDerWaalsContact OH-NH1 3.07Å; E209-R213 HydrophobicContact CG-CG 4.46Å; E209-R213 VanDerWaalsContact O-CG 3.32Å; E209-R213 WeakPolarHBondContact O-CG 3.35Å; E209-R213 PolarHBondContact O-N 3.36Å; E209-R213 IonicContact OE1-CZ 3.63Å; E209-R213 IonicContact OE1-NE 3.76Å; E209-R213 PolarHBondContact OE1-NE 3.48Å; E209-R213 IonicContact OE1-NH2 2.98Å; V210-R213 PolarHBondContact O-N 3.02Å; V210-R213 VanDerWaalsContact O-N 3.17Å; R213-E488 IonicContact CZ-OE1 3.67Å; R213-E488 VanDerWaalsContact CZ-OE1 3.3Å; R213-E488 IonicContact NH1-OE1 2.79Å; R213-E488 PolarHBondContact NH1-OE1 3.38Å; R213-E488 IonicContact NH2-OE1 3.03Å; R213-E488 PolarHBondContact NH2-OE1 2.79Å
214L83.2Confident88.4Confident40 Ų4020.4 Ų20.421%0.20910%0.095CC..THydrogen-bonded Turntrans-93.68.1174.8-67.6174.8000113.9A139 E142 V210 S211 L212 L216A139-L214 HydrophobicContact CB-CD2 4.34Å; E142-L214 HydrophobicContact CB-CD1 3.65Å; E142-L214 HydrophobicContact CG-CD1 4.07Å; E142-L214 WeakPolarHBondContact OE2-CD1 3.4Å; V210-L214 HydrophobicContact CG1-CD1 3.86Å; V210-L214 HydrophobicContact CG1-CG 4.46Å; V210-L214 WeakPolarHBondContact O-CB 3.38Å; V210-L214 WeakPolarHBondContact O-CG 3.3Å; V210-L214 PolarHBondContact O-N 3.49Å; S211-L214 CarbonylContact O-C 3.34Å; S211-L214 PolarHBondContact O-N 3.37Å; L212-L214 PolarHBondContact O-N 3.19Å; L214-L216 VanDerWaalsContact C-N 3.25Å; L214-L216 HydrophobicContact CB-CD1 3.94Å; L214-L216 HydrophobicContact CB-CG 4.09Å; L214-L216 HydrophobicContact CD1-CD1 4.46Å; L214-L216 PolarHBondContact O-N 3.34Å
215F75.5Confident88.4Confident67 Ų6723.6 Ų23.629%0.29411%0.112SC..THydrogen-bonded Turntrans64.523.5-179-59-70000115.5S211 L212 M217 Y642 P645S211-F215 PolarHBondContact O-N 3.21Å; L212-F215 PolarHBondContact O-N 3.01Å; L212-F215 VanDerWaalsContact O-N 3.1Å; F215-M217 PolarHBondContact O-N 3.36Å; F215-Y642 HydrophobicContact CE2-CD1 4.48Å; F215-Y642 AromaticContact CE2-CE1 3.48Å; F215-Y642 HydrophobicContact CE2-CE1 3.48Å; F215-Y642 VanDerWaalsContact CE2-CE1 3.48Å; F215-Y642 AromaticContact CE2-CZ 3.63Å; F215-Y642 WeakPolarHBondContact CE2-OH 3.41Å; F215-Y642 HydrophobicContact CZ-CE1 4.1Å; F215-P645 VanDerWaalsContact CD1-O 3.29Å; F215-P645 WeakPolarHBondContact CD1-O 3.29Å; F215-P645 VanDerWaalsContact CE1-C 3.49Å; F215-P645 VanDerWaalsContact CE1-CA 3.42Å; F215-P645 HydrophobicContact CE1-CB 3.3Å; F215-P645 WeakPolarHBondContact CE1-O 3.32Å; F215-P645 HydrophobicContact CZ-CB 3.48Å; F215-P645 VanDerWaalsContact CZ-CB 3.48Å; F215-P645 WeakPolarHBondContact CZ-O 3.45Å
216L85.4Confident88.3Confident41 Ų4125.4 Ų25.422%0.21512%0.119CC..  trans-86.545.7176.1-53.4168.7000109.7E142 S211 L214 E218 R219 V220E142-L216 WeakPolarHBondContact OE1-CD1 3.29Å; S211-L216 WeakPolarHBondContact O-CB 3.31Å; S211-L216 PolarHBondContact O-N 2.97Å; L214-L216 VanDerWaalsContact C-N 3.25Å; L214-L216 HydrophobicContact CB-CD1 3.94Å; L214-L216 HydrophobicContact CB-CG 4.09Å; L214-L216 HydrophobicContact CD1-CD1 4.46Å; L214-L216 PolarHBondContact O-N 3.34Å; L216-E218 PolarHBondContact O-N 2.94Å; L216-R219 HydrophobicContact CB-CB 4.24Å; L216-R219 VanDerWaalsContact CD1-CZ 3.43Å; L216-R219 WeakPolarHBondContact O-CB 3.46Å; L216-R219 PolarHBondContact O-N 2.87Å; L216-V220 WeakPolarHBondContact O-CG2 3.37Å; L216-V220 PolarHBondContact O-N 3.41Å
217M83.1Confident88.3Confident42 Ų4224.5 Ų24.521%0.20711%0.114CC..Hα-helixtrans-65.1-35.9-173.554.6-178.8171.900113.2L212 F215 R219 V220 F221 L288 T289L212-M217 HydrophobicContact CD2-CB 4.4Å; F215-M217 PolarHBondContact O-N 3.36Å; M217-R219 VanDerWaalsContact C-N 3.33Å; M217-V220 PolarHBondContact O-N 2.92Å; M217-F221 WeakPolarHBondContact O-CB 3.35Å; M217-F221 PolarHBondContact O-N 2.75Å; M217-L288 HydrophobicContact CB-CB 4.35Å; M217-L288 HydrophobicContact SD-CB 3.8Å; M217-T289 HydrophobicContact CB-CG2 4.04Å; M217-T289 HydrophobicContact CE-CG2 4.49Å; M217-T289 HydrophobicContact CG-CG2 3.67Å; M217-T289 HydrophobicContact SD-CG2 3.72Å
218E86.8Confident88.2Confident79 Ų7925 Ų2537%0.36912%0.117SC..Hα-helixtrans-66.9-37.8175.7-169.266.2-171.500111L216 F221 E222 R291L216-E218 PolarHBondContact O-N 2.94Å; E218-F221 WeakPolarHBondContact O-CB 3.31Å; E218-F221 PolarHBondContact O-N 3.42Å; E218-E222 WeakPolarHBondContact O-CG 3.36Å; E218-E222 PolarHBondContact O-N 3.13Å; E218-R291 IonicContact OE1-CZ 2.76Å; E218-R291 IonicContact OE1-NH2 2.72Å; E218-R291 PolarHBondContact OE1-NH2 3Å; E218-R291 IonicContact OE2-CZ 3.2Å; E218-R291 IonicContact OE2-NH2 2.75Å; E218-R291 PolarHBondContact OE2-NH2 3.49Å
219R89.1Confident88Confident30 Ų3028.8 Ų28.811%0.11314%0.137CC..Hα-helixtrans-62.9-46.9173.9-177.9-168.6-55.1168.27.6111.1E142 E156 L185 L216 M217 F221 E222 I223E142-R219 IonicContact OE1-CZ 3.65Å; E142-R219 IonicContact OE1-NH1 3.83Å; E142-R219 PolarHBondContact OE1-NH1 3.21Å; E156-R219 IonicContact OE1-CZ 3.74Å; E156-R219 IonicContact OE1-NH1 3.4Å; E156-R219 PolarHBondContact OE1-NH1 3.42Å; E156-R219 IonicContact OE1-NH2 3.71Å; E156-R219 PolarHBondContact OE1-NH2 2.95Å; E156-R219 IonicContact OE2-CZ 2.64Å; E156-R219 IonicContact OE2-NH2 3.31Å; E156-R219 PolarHBondContact OE2-NH2 3.49Å; L185-R219 HydrophobicContact CD2-CG 4.11Å; L216-R219 HydrophobicContact CB-CB 4.24Å; L216-R219 VanDerWaalsContact CD1-CZ 3.43Å; L216-R219 WeakPolarHBondContact O-CB 3.46Å; L216-R219 PolarHBondContact O-N 2.87Å; M217-R219 VanDerWaalsContact C-N 3.33Å; R219-F221 VanDerWaalsContact C-N 3.31Å; R219-F221 PolarHBondContact O-N 3.24Å; R219-E222 PolarHBondContact O-N 3.5Å; R219-I223 HydrophobicContact CG-CD1 3.62Å; R219-I223 HydrophobicContact CG-CG1 4.39Å; R219-I223 WeakPolarHBondContact O-CB 3.24Å; R219-I223 WeakPolarHBondContact O-CG1 3.37Å; R219-I223 PolarHBondContact O-N 3.47Å
220V90.2Very high88Confident1 Ų128.9 Ų28.91%0.00614%0.138CC..Hα-helixtrans-62.1-43178175.30000110.4L208 L212 L216 M217 C224 A285L208-V220 HydrophobicContact CD2-CG1 4.32Å; L208-V220 HydrophobicContact CD2-CG2 4.47Å; L212-V220 HydrophobicContact CD2-CB 3.86Å; L212-V220 HydrophobicContact CD2-CG1 3.9Å; L212-V220 HydrophobicContact CD2-CG2 3.8Å; L212-V220 HydrophobicContact CG-CB 4.44Å; L212-V220 HydrophobicContact CG-CG1 4.19Å; L212-V220 HydrophobicContact CG-CG2 4.02Å; L216-V220 WeakPolarHBondContact O-CG2 3.37Å; L216-V220 PolarHBondContact O-N 3.41Å; M217-V220 PolarHBondContact O-N 2.92Å; V220-C224 VanDerWaalsContact O-CB 3.3Å; V220-C224 WeakPolarHBondContact O-CB 2.95Å; V220-C224 PolarHBondContact O-N 2.94Å; V220-C224 PolarHBondContact O-SG 3.44Å; V220-A285 HydrophobicContact CB-CB 4.28Å; V220-A285 HydrophobicContact CG1-CB 4.02Å
221F91.9Very high88Confident16 Ų1629.4 Ų29.47%0.0714%0.14CC..Hα-helixtrans-55.4-57.6173.9170.7-92.1000111.3M217 E218 R219 I223 C224 D225 Y282 A285 C286M217-F221 WeakPolarHBondContact O-CB 3.35Å; M217-F221 PolarHBondContact O-N 2.75Å; E218-F221 WeakPolarHBondContact O-CB 3.31Å; E218-F221 PolarHBondContact O-N 3.42Å; R219-F221 VanDerWaalsContact C-N 3.31Å; R219-F221 PolarHBondContact O-N 3.24Å; F221-I223 VanDerWaalsContact C-N 3.33Å; F221-I223 PolarHBondContact O-N 3.33Å; F221-C224 PolarHBondContact O-N 2.65Å; F221-D225 HydrophobicContact CE1-CB 4.45Å; F221-D225 HydrophobicContact CZ-CB 4.34Å; F221-D225 WeakPolarHBondContact O-CB 3.15Å; F221-D225 PolarHBondContact O-N 2.87Å; F221-Y282 HydrophobicContact CD2-CD2 4.21Å; F221-Y282 AromaticContact CD2-CE2 3.82Å; F221-Y282 HydrophobicContact CD2-CE2 3.82Å; F221-Y282 HydrophobicContact CE2-CD2 4.25Å; F221-Y282 AromaticContact CE2-CE2 3.41Å; F221-Y282 HydrophobicContact CE2-CE2 3.41Å; F221-Y282 VanDerWaalsContact CE2-CE2 3.41Å; F221-Y282 AromaticContact CE2-CZ 3.8Å; F221-Y282 HydrophobicContact CZ-CE2 4.14Å; F221-A285 HydrophobicContact CB-CB 3.89Å; F221-C286 VanDerWaalsContact CD2-SG 3.58Å
222E91.1Very high87.9Confident40 Ų4033.1 Ų33.119%0.18716%0.16CC..Hα-helixtrans-60.2-40.9-175.7-72.5178.3171.700112.7P182 E218 R219 Y226P182-E222 VanDerWaalsContact CB-OE2 3.23Å; P182-E222 WeakPolarHBondContact CB-OE2 3.47Å; E218-E222 WeakPolarHBondContact O-CG 3.36Å; E218-E222 PolarHBondContact O-N 3.13Å; R219-E222 PolarHBondContact O-N 3.5Å; E222-Y226 WeakPolarHBondContact O-CB 3.15Å; E222-Y226 PolarHBondContact O-N 3.49Å; E222-Y226 VanDerWaalsContact O-N 3.11Å
223I92.2Very high87.9Confident1 Ų135.1 Ų35.11%0.00517%0.173CC..Hα-helixtrans-69.1-48.6-179.6-69.1173.9000110.8L185 I186 I189 W207 R219 F221 Y226 W227L185-I223 HydrophobicContact CD2-CD1 4.43Å; I186-I223 HydrophobicContact CG1-CG1 4.25Å; I189-I223 HydrophobicContact CD1-CD1 3.92Å; I189-I223 HydrophobicContact CD1-CG1 4.37Å; I189-I223 HydrophobicContact CD1-CG2 4.4Å; W207-I223 HydrophobicContact CH2-CD1 3.33Å; W207-I223 HydrophobicContact CZ2-CD1 4.42Å; W207-I223 HydrophobicContact CZ3-CD1 3.67Å; R219-I223 HydrophobicContact CG-CD1 3.62Å; R219-I223 HydrophobicContact CG-CG1 4.39Å; R219-I223 WeakPolarHBondContact O-CB 3.24Å; R219-I223 WeakPolarHBondContact O-CG1 3.37Å; R219-I223 PolarHBondContact O-N 3.47Å; F221-I223 VanDerWaalsContact C-N 3.33Å; F221-I223 PolarHBondContact O-N 3.33Å; I223-Y226 PolarHBondContact O-N 3.45Å; I223-W227 HydrophobicContact CG2-CD2 3.73Å; I223-W227 HydrophobicContact CG2-CE3 3.79Å; I223-W227 HydrophobicContact CG2-CH2 3.44Å; I223-W227 VanDerWaalsContact CG2-CH2 3.44Å; I223-W227 HydrophobicContact CG2-CZ2 3.37Å; I223-W227 HydrophobicContact CG2-CZ3 3.66Å; I223-W227 PolarHBondContact O-N 3.27Å
224C93.7Very high87.8Confident0 Ų034.8 Ų34.80%018%0.177CC..Hα-helixtrans-66.5-39180-67.20000111.3V220 F221 Y226 W227 I228 I278 Y282V220-C224 VanDerWaalsContact O-CB 3.3Å; V220-C224 WeakPolarHBondContact O-CB 2.95Å; V220-C224 PolarHBondContact O-N 2.94Å; V220-C224 PolarHBondContact O-SG 3.44Å; F221-C224 PolarHBondContact O-N 2.65Å; C224-Y226 PolarHBondContact O-N 3.01Å; C224-W227 PolarHBondContact O-N 3.26Å; C224-I228 WeakPolarHBondContact O-CB 3.32Å; C224-I228 VanDerWaalsContact O-CG1 3.22Å; C224-I228 WeakPolarHBondContact O-CG1 3.32Å; C224-I228 PolarHBondContact O-N 3.24Å; C224-I278 HydrophobicContact CB-CG2 4.02Å; C224-Y282 HydrophobicContact CB-CD2 4.22Å
225D92.7Very high87.3Confident67 Ų6735.7 Ų35.736%0.35819%0.186SC..Hα-helixtrans-57.3-48.5175.1-166.958.1000111.2F221 W227 I228 L229 Y282F221-D225 HydrophobicContact CE1-CB 4.45Å; F221-D225 HydrophobicContact CZ-CB 4.34Å; F221-D225 WeakPolarHBondContact O-CB 3.15Å; F221-D225 PolarHBondContact O-N 2.87Å; D225-W227 PolarHBondContact O-N 3.02Å; D225-I228 PolarHBondContact O-N 3.2Å; D225-L229 WeakPolarHBondContact O-CB 3.31Å; D225-L229 PolarHBondContact O-N 2.91Å; D225-Y282 HydrophobicContact CB-CD2 4.19Å; D225-Y282 HydrophobicContact CB-CE2 3.76Å; D225-Y282 VanDerWaalsContact OD1-CE2 3.32Å; D225-Y282 WeakPolarHBondContact OD1-CE2 3.09Å; D225-Y282 PolarHBondContact OD1-OH 3.49Å
226Y90.3Very high87.2Confident42 Ų4236.3 Ų36.317%0.16520%0.196CC..Hα-helixtrans-63.7-41.5176.6177.4-92.4000112.9I186 E222 I223 C224 L229 C230 H261I186-Y226 HydrophobicContact CD1-CG 4.29Å; I186-Y226 HydrophobicContact CG2-CD1 3.11Å; I186-Y226 HydrophobicContact CG2-CD2 4.11Å; I186-Y226 HydrophobicContact CG2-CE1 3.4Å; I186-Y226 HydrophobicContact CG2-CE2 4.33Å; I186-Y226 HydrophobicContact CG2-CG 3.51Å; E222-Y226 WeakPolarHBondContact O-CB 3.15Å; E222-Y226 PolarHBondContact O-N 3.49Å; E222-Y226 VanDerWaalsContact O-N 3.11Å; I223-Y226 PolarHBondContact O-N 3.45Å; C224-Y226 PolarHBondContact O-N 3.01Å; Y226-L229 PolarHBondContact O-N 2.9Å; Y226-C230 WeakPolarHBondContact CE1-SG 3.38Å; Y226-C230 VanDerWaalsContact CZ-SG 3.55Å; Y226-C230 PolarHBondContact O-N 2.84Å; Y226-C230 PolarHBondContact O-SG 3.42Å; Y226-H261 AromaticContact CE2-CE1 3.73Å; Y226-H261 AromaticContact CE2-ND1 3.33Å; Y226-H261 VanDerWaalsContact CE2-ND1 3.33Å; Y226-H261 WeakPolarHBondContact CE2-ND1 3.44Å; Y226-H261 AromaticContact CZ-ND1 3.66Å
227W92.4Very high86Confident3 Ų341 Ų411%0.01122%0.218CC..Hα-helixtrans-67.6-38.6177.9-70.1-16.9000112.5I189 L191 V204 L208 I223 C224 D225 L229 C230 L231 L271 I278I189-W227 HydrophobicContact CD1-CZ2 4.1Å; I189-W227 HydrophobicContact CG2-CZ2 4.39Å; L191-W227 HydrophobicContact CD2-CH2 4.16Å; L191-W227 HydrophobicContact CD2-CZ2 3.78Å; V204-W227 HydrophobicContact CG1-CH2 3.58Å; V204-W227 HydrophobicContact CG1-CZ3 3.51Å; L208-W227 HydrophobicContact CD1-CZ3 4.12Å; L208-W227 HydrophobicContact CD2-CZ3 4.31Å; I223-W227 HydrophobicContact CG2-CD2 3.73Å; I223-W227 HydrophobicContact CG2-CE3 3.79Å; I223-W227 HydrophobicContact CG2-CH2 3.44Å; I223-W227 VanDerWaalsContact CG2-CH2 3.44Å; I223-W227 HydrophobicContact CG2-CZ2 3.37Å; I223-W227 HydrophobicContact CG2-CZ3 3.66Å; I223-W227 PolarHBondContact O-N 3.27Å; C224-W227 PolarHBondContact O-N 3.26Å; D225-W227 PolarHBondContact O-N 3.02Å; W227-L229 VanDerWaalsContact C-N 3.34Å; W227-C230 PolarHBondContact O-N 3.33Å; W227-L231 WeakPolarHBondContact O-CB 3.34Å; W227-L231 VanDerWaalsContact O-CG 3.27Å; W227-L231 WeakPolarHBondContact O-CG 3.4Å; W227-L231 PolarHBondContact O-N 2.91Å; W227-L271 HydrophobicContact CB-CD1 4.05Å; W227-L271 HydrophobicContact CB-CD2 4.43Å; W227-L271 HydrophobicContact CD2-CD1 4.45Å; W227-L271 HydrophobicContact CD2-CD2 3.73Å; W227-L271 HydrophobicContact CE3-CD2 3.89Å; W227-L271 HydrophobicContact CG-CD1 3.85Å; W227-L271 HydrophobicContact CG-CD2 3.97Å; W227-L271 HydrophobicContact CZ3-CD2 4.43Å; W227-I278 HydrophobicContact CB-CG2 4.3Å; W227-I278 HydrophobicContact CE3-CD1 3.96Å; W227-I278 HydrophobicContact CE3-CG1 4.18Å; W227-I278 HydrophobicContact CE3-CG2 4.43Å
228I91.1Very high84.8Confident12 Ų1242.6 Ų42.66%0.06223%0.234CC..Hα-helixtrans-61.9-44173.2-70.2165.4000110C224 D225 C230 L231 N232 I278 Q279 Y282C224-I228 WeakPolarHBondContact O-CB 3.32Å; C224-I228 VanDerWaalsContact O-CG1 3.22Å; C224-I228 WeakPolarHBondContact O-CG1 3.32Å; C224-I228 PolarHBondContact O-N 3.24Å; D225-I228 PolarHBondContact O-N 3.2Å; I228-C230 PolarHBondContact O-N 3.48Å; I228-L231 PolarHBondContact O-N 2.75Å; I228-N232 WeakPolarHBondContact O-CB 3.5Å; I228-N232 VanDerWaalsContact O-CG 3.25Å; I228-N232 PolarHBondContact O-N 2.73Å; I228-N232 PolarHBondContact O-ND2 3.23Å; I228-I278 HydrophobicContact CD1-CG2 4.42Å; I228-I278 HydrophobicContact CG1-CG2 3.99Å; I228-Q279 HydrophobicContact CD1-CG 4.22Å; I228-Q279 HydrophobicContact CG1-CG 4.32Å; I228-Y282 HydrophobicContact CD1-CD1 4.23Å; I228-Y282 HydrophobicContact CD1-CD2 3.97Å; I228-Y282 HydrophobicContact CD1-CG 3.69Å
229L89.8Confident83.2Confident81 Ų8144.3 Ų44.342%0.42424%0.242SC..Hα-helixtrans-59.8-43.5174.3-177.963.9000112.2D225 Y226 W227 L231 N232 T233D225-L229 WeakPolarHBondContact O-CB 3.31Å; D225-L229 PolarHBondContact O-N 2.91Å; Y226-L229 PolarHBondContact O-N 2.9Å; W227-L229 VanDerWaalsContact C-N 3.34Å; L229-L231 PolarHBondContact O-N 3.1Å; L229-N232 PolarHBondContact O-N 3.17Å; L229-T233 HydrophobicContact CD1-CG2 4.42Å; L229-T233 VanDerWaalsContact O-CG2 3.31Å; L229-T233 WeakPolarHBondContact O-CG2 3.29Å; L229-T233 PolarHBondContact O-N 3.39Å; L229-T233 PolarHBondContact O-OG1 2.92Å
230C87.4Confident81.2Confident4 Ų446.5 Ų46.53%0.02726%0.258CS..Hα-helixtrans-62.3-41.2175.2-67.20000112.3Y226 W227 I228 T233 A234Y226-C230 WeakPolarHBondContact CE1-SG 3.38Å; Y226-C230 VanDerWaalsContact CZ-SG 3.55Å; Y226-C230 PolarHBondContact O-N 2.84Å; Y226-C230 PolarHBondContact O-SG 3.42Å; W227-C230 PolarHBondContact O-N 3.33Å; I228-C230 PolarHBondContact O-N 3.48Å; C230-T233 WeakPolarHBondContact CA-OG1 3.37Å; C230-T233 PolarHBondContact O-OG1 3.1Å; C230-A234 WeakPolarHBondContact O-CB 3.38Å; C230-A234 PolarHBondContact O-N 3.02Å; C230-A234 VanDerWaalsContact O-N 3.09Å
231L88.4Confident79.2Confident11 Ų1150.1 Ų50.16%0.05829%0.288CS..Hα-helixtrans-65.5-43.8177.5-72.7165.9000111.7W227 I228 L229 A234 S235 L268 L271 I272 Q275 I278W227-L231 WeakPolarHBondContact O-CB 3.34Å; W227-L231 VanDerWaalsContact O-CG 3.27Å; W227-L231 WeakPolarHBondContact O-CG 3.4Å; W227-L231 PolarHBondContact O-N 2.91Å; I228-L231 PolarHBondContact O-N 2.75Å; L229-L231 PolarHBondContact O-N 3.1Å; L231-A234 PolarHBondContact O-N 3.19Å; L231-S235 PolarHBondContact O-N 3.33Å; L231-L268 HydrophobicContact CD2-CD1 4.36Å; L231-L271 HydrophobicContact CD1-CB 4.42Å; L231-L271 HydrophobicContact CD2-CB 3.92Å; L231-L271 HydrophobicContact CG-CB 4.34Å; L231-I272 HydrophobicContact CD2-CB 4.48Å; L231-I272 HydrophobicContact CD2-CG1 3.74Å; L231-Q275 HydrophobicContact CD1-CB 4.11Å; L231-Q275 HydrophobicContact CD1-CG 4.03Å; L231-I278 HydrophobicContact CD1-CD1 4.47Å
232N86.8Confident76.8Confident79 Ų7953.9 Ų53.942%0.42232%0.317SS..Hα-helixtrans-65.5-42.7178.7-70.1-16.5000111.9I228 L229 A234 S235 V236I228-N232 WeakPolarHBondContact O-CB 3.5Å; I228-N232 VanDerWaalsContact O-CG 3.25Å; I228-N232 PolarHBondContact O-N 2.73Å; I228-N232 PolarHBondContact O-ND2 3.23Å; L229-N232 PolarHBondContact O-N 3.17Å; N232-A234 PolarHBondContact O-N 3.38Å; N232-S235 PolarHBondContact O-N 3.05Å; N232-V236 WeakPolarHBondContact O-CG2 3.33Å; N232-V236 PolarHBondContact O-N 3.2Å; N232-V236 VanDerWaalsContact O-N 3.09Å
233T83.6Confident74.3Confident49 Ų4958.8 Ų58.830%0.30134%0.344SS..Hα-helixtrans-64.8-38.5176.4530000112.5L229 C230 V236 M237L229-T233 HydrophobicContact CD1-CG2 4.42Å; L229-T233 VanDerWaalsContact O-CG2 3.31Å; L229-T233 WeakPolarHBondContact O-CG2 3.29Å; L229-T233 PolarHBondContact O-N 3.39Å; L229-T233 PolarHBondContact O-OG1 2.92Å; C230-T233 WeakPolarHBondContact CA-OG1 3.37Å; C230-T233 PolarHBondContact O-OG1 3.1Å; T233-V236 PolarHBondContact O-N 3.38Å; T233-M237 WeakPolarHBondContact O-CG 3.42Å; T233-M237 PolarHBondContact O-N 3.34Å
234A78.6Confident71.6Confident26 Ų2663.1 Ų63.122%0.21537%0.374CS..Hα-helixtrans-63.9-39.1174.900000112.6C230 L231 N232 M237 S238 L268C230-A234 WeakPolarHBondContact O-CB 3.38Å; C230-A234 PolarHBondContact O-N 3.02Å; C230-A234 VanDerWaalsContact O-N 3.09Å; L231-A234 PolarHBondContact O-N 3.19Å; N232-A234 PolarHBondContact O-N 3.38Å; A234-M237 PolarHBondContact O-N 3.02Å; A234-S238 PolarHBondContact O-N 3.39Å; A234-L268 HydrophobicContact CB-CD1 3.9Å; A234-L268 HydrophobicContact CB-CD2 3.8Å; A234-L268 HydrophobicContact CB-CG 4.44Å
235S73.6Confident68.7Low58 Ų5868.4 Ų68.441%0.40641%0.411SS..Hα-helixtrans-61.4-48.9174175.40000111.5L231 N232 M237 S238 E239L231-S235 PolarHBondContact O-N 3.33Å; N232-S235 PolarHBondContact O-N 3.05Å; S235-M237 VanDerWaalsContact C-N 3.34Å; S235-M237 PolarHBondContact O-N 3.22Å; S235-S238 PolarHBondContact O-N 2.86Å; S235-S238 VanDerWaalsContact O-N 3.12Å; S235-S238 PolarHBondContact O-OG 3.07Å; S235-E239 PolarHBondContact O-N 3.14Å; S235-E239 VanDerWaalsContact O-N 3.09Å
236V72.1Confident65.8Low81 Ų8172.2 Ų72.249%0.49143%0.431SS..Hα-helixtrans-63.1-37.9177.7176.50000112.3N232 T233 S238 E239 T240N232-V236 WeakPolarHBondContact O-CG2 3.33Å; N232-V236 PolarHBondContact O-N 3.2Å; N232-V236 VanDerWaalsContact O-N 3.09Å; T233-V236 PolarHBondContact O-N 3.38Å; V236-S238 VanDerWaalsContact C-N 3.32Å; V236-S238 PolarHBondContact O-N 3Å; V236-E239 PolarHBondContact O-N 2.9Å; V236-T240 HydrophobicContact CG1-CG2 4.17Å; V236-T240 WeakPolarHBondContact O-CB 2.98Å; V236-T240 WeakPolarHBondContact O-CG2 3.35Å; V236-T240 PolarHBondContact O-N 3.06Å; V236-T240 PolarHBondContact O-OG1 2.87Å
237M61.7Low63.1Low138 Ų13876.2 Ų76.268%0.6846%0.462SS*.Hα-helixtrans-64.3-36.4175.2-74.3-17670.600112.3T233 A234 S235 T240 A241T233-M237 WeakPolarHBondContact O-CG 3.42Å; T233-M237 PolarHBondContact O-N 3.34Å; A234-M237 PolarHBondContact O-N 3.02Å; S235-M237 VanDerWaalsContact C-N 3.34Å; S235-M237 PolarHBondContact O-N 3.22Å; M237-T240 WeakPolarHBondContact CA-OG1 3.36Å; M237-T240 PolarHBondContact O-OG1 2.9Å; M237-A241 VanDerWaalsContact O-CB 3.29Å; M237-A241 WeakPolarHBondContact O-CB 3.49Å; M237-A241 PolarHBondContact O-N 3.29Å
238S57.9Low59.9Low77 Ų7784.6 Ų84.654%0.53850%0.502SS..Hα-helixtrans-67.7-37.4175.173.40000112.7A234 S235 V236 S242A234-S238 PolarHBondContact O-N 3.39Å; S235-S238 PolarHBondContact O-N 2.86Å; S235-S238 VanDerWaalsContact O-N 3.12Å; S235-S238 PolarHBondContact O-OG 3.07Å; V236-S238 VanDerWaalsContact C-N 3.32Å; V236-S238 PolarHBondContact O-N 3Å; S238-S242 PolarHBondContact O-N 3.32Å
239E51.6Low57.1Low114 Ų11489.7 Ų89.753%0.53354%0.536SS..Hα-helixtrans-71.9-43.7176.1-68.8-178172.500112.3S235 V236 A241 S242 L243S235-E239 PolarHBondContact O-N 3.14Å; S235-E239 VanDerWaalsContact O-N 3.09Å; V236-E239 PolarHBondContact O-N 2.9Å; E239-A241 PolarHBondContact O-N 3.46Å; E239-S242 WeakPolarHBondContact O-CB 3.44Å; E239-S242 PolarHBondContact O-N 3.48Å; E239-S242 VanDerWaalsContact O-N 3.07Å; E239-S242 PolarHBondContact O-OG 2.79Å; E239-L243 PolarHBondContact O-N 3.47Å
240T49Very low54.1Low76 Ų7694.2 Ų94.247%0.46656%0.559SS.*Hα-helixtrans-67.9-34.8179.149.50000112.8V236 M237 S242 L243 S244V236-T240 HydrophobicContact CG1-CG2 4.17Å; V236-T240 WeakPolarHBondContact O-CB 2.98Å; V236-T240 WeakPolarHBondContact O-CG2 3.35Å; V236-T240 PolarHBondContact O-N 3.06Å; V236-T240 PolarHBondContact O-OG1 2.87Å; M237-T240 WeakPolarHBondContact CA-OG1 3.36Å; M237-T240 PolarHBondContact O-OG1 2.9Å; T240-S242 PolarHBondContact O-N 3.48Å; T240-L243 PolarHBondContact O-N 3.32Å; T240-L243 VanDerWaalsContact O-N 3.09Å; T240-S244 PolarHBondContact O-N 3.08Å
241A47Very low51.1Low77 Ų7799.8 Ų99.864%0.63659%0.593SS**Hα-helixtrans-61.4-28.1171.300000112.5M237 E239M237-A241 VanDerWaalsContact O-CB 3.29Å; M237-A241 WeakPolarHBondContact O-CB 3.49Å; M237-A241 PolarHBondContact O-N 3.29Å; E239-A241 PolarHBondContact O-N 3.46Å
242S41.2Very low48.1Very low95 Ų95104.6 Ų104.666%0.66463%0.628SS**Hα-helixtrans-80.9-18.4175.676.60000114S238 E239 T240S238-S242 PolarHBondContact O-N 3.32Å; E239-S242 WeakPolarHBondContact O-CB 3.44Å; E239-S242 PolarHBondContact O-N 3.48Å; E239-S242 VanDerWaalsContact O-N 3.07Å; E239-S242 PolarHBondContact O-OG 2.79Å; T240-S242 PolarHBondContact O-N 3.48Å
243L40Very low45.2Very low144 Ų144106.1 Ų106.175%0.75464%0.644SS**Hα-helixtrans-110.2-13.4-175.1-74.9166.1000114.9E239 T240 S245E239-L243 PolarHBondContact O-N 3.47Å; T240-L243 PolarHBondContact O-N 3.32Å; T240-L243 VanDerWaalsContact O-N 3.09Å; L243-S245 PolarHBondContact O-N 2.83Å
244S34.1Very low42.4Very low92 Ų92112.2 Ų112.264%0.64367%0.67SS**  trans-93.575178.1780000113.1T240 N246T240-S244 PolarHBondContact O-N 3.08Å; S244-N246 VanDerWaalsContact C-N 3.33Å; S244-N246 PolarHBondContact O-N 3.39Å
245S33.6Very low39.8Very low110 Ų110118.8 Ų118.877%0.76970%0.701SS**  trans-8965.9159.263.40000110.3L243L243-S245 PolarHBondContact O-N 2.83Å
246N32.5Very low37.5Very low147 Ų147122.3 Ų122.379%0.78672%0.72SS**  trans175119.8153.1-99.9-23.6000111.3S244 Q248S244-N246 VanDerWaalsContact C-N 3.33Å; S244-N246 PolarHBondContact O-N 3.39Å; N246-Q248 PolarHBondContact O-N 3.07Å
247P33.5Very low35.3Very low127 Ų127123.1 Ų123.183%0.82573%0.73SS**  trans-84.6107.1173.131.7-27.3000109.5
248Q25.6Very low33.6Very low179 Ų179122 Ų12284%0.83673%0.734SS**  trans-114.4132.2155.1-82-143.7-21.400109.9N246 L250N246-Q248 PolarHBondContact O-N 3.07Å; Q248-L250 PolarHBondContact O-N 2.67Å
249P31.6Very low32.4Very low119 Ų119125.7 Ų125.777%0.77374%0.743SS**  trans-79.5111.3-176.329.8-30.3000110.4T251P249-T251 PolarHBondContact O-N 2.76Å
250L26.9Very low32Very low176 Ų176124.3 Ų124.392%0.92175%0.746SS**  trans-70113.3168.7-86.1147.2000109.7Q248Q248-L250 PolarHBondContact O-N 2.67Å
251T24.6Very low32.1Very low121 Ų121124.1 Ų124.174%0.74274%0.739SS**  trans-74.4123.5173.249.30000111.1P249P249-T251 PolarHBondContact O-N 2.76Å
252S25.3Very low32.9Very low112 Ų112127.1 Ų127.178%0.78375%0.745SS**  trans39.499.8147.462.20000119.6
253S25.8Very low34.4Very low110 Ų110125 Ų12577%0.76973%0.726SS**  trans-170.8115136.955.10000111.9
254E24.3Very low36.4Very low178 Ų178121 Ų12183%0.83271%0.71SS**  trans61.4102.9143.4-59.2-176.7170.500120.8T256E254-T256 PolarHBondContact O-N 2.71Å
255N23.3Very low38.6Very low163 Ų163121.3 Ų121.387%0.87271%0.712SS**  trans44.176.3131.2-64.8-11.4000118.5
256T26.6Very low41Very low132 Ų132121.1 Ų121.181%0.8170%0.702SS**  trans-118.1106.413234.20000107.2E254 C258E254-T256 PolarHBondContact O-N 2.71Å; T256-C258 PolarHBondContact O-N 3.28Å
257S24.9Very low43.5Very low99 Ų99114.3 Ų114.369%0.69267%0.667SS**  trans-6776.517657.80000109.7H259S257-H259 PolarHBondContact O-N 2.74Å
258C26Very low46Very low115 Ų115110.3 Ų110.378%0.77764%0.638SS**  trans-71.183.6160.950.90000106.9T256 S260T256-C258 PolarHBondContact O-N 3.28Å; C258-S260 PolarHBondContact O-N 3.5Å
259H33.9Very low49Very low154 Ų154103.5 Ų103.571%0.71361%0.61SS**  trans-50.5114.5165.3-77-68.5000107.2S257 H261S257-H259 PolarHBondContact O-N 2.74Å; H259-H261 PolarHBondContact O-N 2.82Å
260S42.2Very low51.7Low85 Ų8598 Ų9859%0.59457%0.574SS**  trans-54.2110.9-179.853.70000109.3C258 N262C258-S260 PolarHBondContact O-N 3.5Å; S260-N262 PolarHBondContact O-N 3Å; S260-N262 PolarHBondContact OG-OD1 3.36Å
261H52.2Low54.7Low72 Ų7289.6 Ų89.633%0.33353%0.53SS..  trans-65.883.6173-67.7-78.5000108.6Y226 H259 L263Y226-H261 AromaticContact CE2-CE1 3.73Å; Y226-H261 AromaticContact CE2-ND1 3.33Å; Y226-H261 VanDerWaalsContact CE2-ND1 3.33Å; Y226-H261 WeakPolarHBondContact CE2-ND1 3.44Å; Y226-H261 AromaticContact CZ-ND1 3.66Å; H259-H261 PolarHBondContact O-N 2.82Å; H261-L263 PolarHBondContact O-N 3Å
262N62.3Low57.8Low140 Ų14088.3 Ų88.375%0.74952%0.518SS*.  trans-77.867.9-176.5-75.8-19.4000111S260S260-N262 PolarHBondContact O-N 3Å; S260-N262 PolarHBondContact OG-OD1 3.36Å
263L73.3Confident60.7Low51 Ų5184 Ų8427%0.26749%0.491SS..  trans-85.9135.4167.9-149.969.2000109.5L191 H261 A267 L268 L271L191-L263 HydrophobicContact CD1-CD1 4.13Å; L191-L263 HydrophobicContact CD1-CD2 4.44Å; H261-L263 PolarHBondContact O-N 3Å; L263-A267 HydrophobicContact CD1-CB 4.01Å; L263-A267 HydrophobicContact CD2-CB 4.08Å; L263-A267 HydrophobicContact CG-CB 3.63Å; L263-L268 HydrophobicContact CD2-CB 4.21Å; L263-L268 HydrophobicContact CD2-CD1 4.29Å; L263-L271 HydrophobicContact CD2-CD1 3.4Å; L263-L271 HydrophobicContact CD2-CG 4.25Å
264S81.1Confident63.7Low60 Ų6078.8 Ų78.842%0.4245%0.454SS..  trans-65.7153.3175.275.40000110.5N266 A267 L268S264-N266 PolarHBondContact O-N 3.34Å; S264-A267 PolarHBondContact O-N 2.94Å; S264-A267 VanDerWaalsContact OG-CB 3.27Å; S264-A267 WeakPolarHBondContact OG-CB 3.47Å; S264-A267 PolarHBondContact OG-N 3.2Å; S264-A267 VanDerWaalsContact OG-N 3.14Å; S264-L268 PolarHBondContact O-N 3.21Å
265S81.9Confident66.8Low98 Ų9873 Ų7369%0.68543%0.427SS*.Hα-helixtrans-53.9-39.3178.1-178.70000112.5L268 S269S265-L268 PolarHBondContact O-N 2.71Å; S265-S269 PolarHBondContact O-N 3.1Å
266N83.3Confident70Confident105 Ų10568.5 Ų68.556%0.56140%0.4SS*.Hα-helixtrans-70.8-37.6177-69.2-12.2000112.7T192 S264 L268 S269 V270T192-N266 HydrophobicContact CG2-CB 3.49Å; T192-N266 VanDerWaalsContact CG2-CB 3.49Å; S264-N266 PolarHBondContact O-N 3.34Å; N266-L268 VanDerWaalsContact C-N 3.34Å; N266-S269 PolarHBondContact O-N 2.76Å; N266-S269 PolarHBondContact O-OG 2.95Å; N266-V270 WeakPolarHBondContact O-CG2 3.48Å; N266-V270 PolarHBondContact O-N 3.14Å; N266-V270 VanDerWaalsContact O-N 3.1Å
267A85.8Confident73.1Confident5 Ų562.3 Ų62.34%0.04136%0.362CS..Hα-helixtrans-68-37.5175.800000111.2L191 T192 L263 S264 V270 L271L191-A267 HydrophobicContact CB-CB 3.87Å; L191-A267 HydrophobicContact CD1-CB 4.06Å; T192-A267 HydrophobicContact CG2-CB 4.03Å; L263-A267 HydrophobicContact CD1-CB 4.01Å; L263-A267 HydrophobicContact CD2-CB 4.08Å; L263-A267 HydrophobicContact CG-CB 3.63Å; S264-A267 PolarHBondContact O-N 2.94Å; S264-A267 VanDerWaalsContact OG-CB 3.27Å; S264-A267 WeakPolarHBondContact OG-CB 3.47Å; S264-A267 PolarHBondContact OG-N 3.2Å; S264-A267 VanDerWaalsContact OG-N 3.14Å; A267-V270 WeakPolarHBondContact O-CB 3.25Å; A267-V270 PolarHBondContact O-N 3.35Å; A267-L271 WeakPolarHBondContact O-CG 3.36Å; A267-L271 PolarHBondContact O-N 2.88Å; A267-L271 VanDerWaalsContact O-N 3.15Å
268L86.1Confident76.3Confident42 Ų4257.6 Ų57.622%0.2233%0.329CS..Hα-helixtrans-64.2-40.6173.4-172.367000111.8L231 A234 L263 S264 S265 N266 V270 L271 I272L231-L268 HydrophobicContact CD2-CD1 4.36Å; A234-L268 HydrophobicContact CB-CD1 3.9Å; A234-L268 HydrophobicContact CB-CD2 3.8Å; A234-L268 HydrophobicContact CB-CG 4.44Å; L263-L268 HydrophobicContact CD2-CB 4.21Å; L263-L268 HydrophobicContact CD2-CD1 4.29Å; S264-L268 PolarHBondContact O-N 3.21Å; S265-L268 PolarHBondContact O-N 2.71Å; N266-L268 VanDerWaalsContact C-N 3.34Å; L268-V270 VanDerWaalsContact C-N 3.32Å; L268-V270 PolarHBondContact O-N 3.18Å; L268-L271 PolarHBondContact O-N 3.26Å; L268-I272 HydrophobicContact CD2-CD1 4.42Å; L268-I272 HydrophobicContact CG-CD1 3.93Å; L268-I272 HydrophobicContact CG-CG1 4.39Å; L268-I272 VanDerWaalsContact O-CG1 3.3Å; L268-I272 WeakPolarHBondContact O-CG1 3.49Å; L268-I272 PolarHBondContact O-N 3.26Å
269S87.3Confident79.5Confident37 Ų3752.2 Ų52.226%0.25929%0.292SS..Hα-helixtrans-67.5-30.9177.675.20000113.5R201 S265 N266 G273R201-S269 PolarHBondContact NH2-O 3.39Å; S265-S269 PolarHBondContact O-N 3.1Å; N266-S269 PolarHBondContact O-N 2.76Å; N266-S269 PolarHBondContact O-OG 2.95Å; S269-G273 PolarHBondContact O-N 3.49Å
270V88.7Confident82.2Confident2 Ų245.1 Ų45.11%0.01226%0.26CS..Hα-helixtrans-60.7-55.5168.81690000109.3I197 C200 R201 N266 A267 L268 I272 G273 I274I197-V270 HydrophobicContact CG2-CG2 3.88Å; C200-V270 HydrophobicContact CB-CG1 4.37Å; C200-V270 HydrophobicContact CB-CG2 4.03Å; R201-V270 HydrophobicContact CG-CG1 3.9Å; R201-V270 PolarHBondContact NE-O 3.35Å; N266-V270 WeakPolarHBondContact O-CG2 3.48Å; N266-V270 PolarHBondContact O-N 3.14Å; N266-V270 VanDerWaalsContact O-N 3.1Å; A267-V270 WeakPolarHBondContact O-CB 3.25Å; A267-V270 PolarHBondContact O-N 3.35Å; L268-V270 VanDerWaalsContact C-N 3.32Å; L268-V270 PolarHBondContact O-N 3.18Å; V270-I272 PolarHBondContact O-N 3.45Å; V270-G273 PolarHBondContact O-N 3.18Å; V270-I274 WeakPolarHBondContact O-CG1 3.42Å
271L89.9Confident84.6Confident0 Ų041.5 Ų41.50%023%0.233CC..Hα-helixtrans-62.4-42.7-177.3-64.3-176.6000113.3L191 W227 L231 L263 A267 L268 G273 I274 Q275 I278L191-L271 HydrophobicContact CD1-CD1 4.12Å; L191-L271 HydrophobicContact CD1-CD2 3.93Å; L191-L271 HydrophobicContact CD1-CG 3.98Å; L191-L271 HydrophobicContact CD2-CD2 4.47Å; W227-L271 HydrophobicContact CB-CD1 4.05Å; W227-L271 HydrophobicContact CB-CD2 4.43Å; W227-L271 HydrophobicContact CD2-CD1 4.45Å; W227-L271 HydrophobicContact CD2-CD2 3.73Å; W227-L271 HydrophobicContact CE3-CD2 3.89Å; W227-L271 HydrophobicContact CG-CD1 3.85Å; W227-L271 HydrophobicContact CG-CD2 3.97Å; W227-L271 HydrophobicContact CZ3-CD2 4.43Å; L231-L271 HydrophobicContact CD1-CB 4.42Å; L231-L271 HydrophobicContact CD2-CB 3.92Å; L231-L271 HydrophobicContact CG-CB 4.34Å; L263-L271 HydrophobicContact CD2-CD1 3.4Å; L263-L271 HydrophobicContact CD2-CG 4.25Å; A267-L271 WeakPolarHBondContact O-CG 3.36Å; A267-L271 PolarHBondContact O-N 2.88Å; A267-L271 VanDerWaalsContact O-N 3.15Å; L268-L271 PolarHBondContact O-N 3.26Å; L271-G273 PolarHBondContact O-N 3.19Å; L271-I274 CarbonylContact O-C 3.58Å; L271-I274 PolarHBondContact O-N 2.95Å; L271-Q275 PolarHBondContact O-N 3.42Å; L271-I278 HydrophobicContact CB-CD1 4.38Å; L271-I278 HydrophobicContact CD2-CD1 3.71Å
272I88.6Confident86.6Confident95 Ų9538.8 Ų38.849%0.48722%0.22SC..Hα-helixtrans-55.2-41.8177.9-73.5168000110.6L231 L268 V270 I274 Q275L231-I272 HydrophobicContact CD2-CB 4.48Å; L231-I272 HydrophobicContact CD2-CG1 3.74Å; L268-I272 HydrophobicContact CD2-CD1 4.42Å; L268-I272 HydrophobicContact CG-CD1 3.93Å; L268-I272 HydrophobicContact CG-CG1 4.39Å; L268-I272 VanDerWaalsContact O-CG1 3.3Å; L268-I272 WeakPolarHBondContact O-CG1 3.49Å; L268-I272 PolarHBondContact O-N 3.26Å; V270-I272 PolarHBondContact O-N 3.45Å; I272-I274 PolarHBondContact O-N 3Å; I272-Q275 PolarHBondContact O-N 3.17Å
273G86.5Confident88.1Confident21 Ų2132.2 Ų32.222%0.21619%0.185CC..Hα-helixtrans-66.6-21.8-179.800000114.4S269 V270 L271S269-G273 PolarHBondContact O-N 3.49Å; V270-G273 PolarHBondContact O-N 3.18Å; L271-G273 PolarHBondContact O-N 3.19Å
274I89.2Confident88.8Confident0 Ų031.1 Ų31.10%018%0.177CC..THydrogen-bonded Turntrans-119.922.6-179.755.4166.8000112.9R201 V204 L205 V270 L271 I272 K276 P277 I278 W365R201-I274 HydrophobicContact CB-CG2 3.74Å; R201-I274 HydrophobicContact CG-CG1 4.44Å; R201-I274 HydrophobicContact CG-CG2 3.78Å; V204-I274 HydrophobicContact CB-CD1 4.27Å; V204-I274 HydrophobicContact CG1-CD1 3.88Å; L205-I274 HydrophobicContact CD1-CG2 4.02Å; L205-I274 HydrophobicContact CD2-CB 4.21Å; L205-I274 HydrophobicContact CD2-CD1 3.92Å; L205-I274 HydrophobicContact CD2-CG2 4.39Å; L205-I274 HydrophobicContact CG-CD1 4.35Å; L205-I274 HydrophobicContact CG-CG2 4.28Å; V270-I274 WeakPolarHBondContact O-CG1 3.42Å; L271-I274 CarbonylContact O-C 3.58Å; L271-I274 PolarHBondContact O-N 2.95Å; I272-I274 PolarHBondContact O-N 3Å; I274-K276 PolarHBondContact O-N 2.93Å; I274-P277 HydrophobicContact CB-CB 4.44Å; I274-P277 HydrophobicContact CB-CG 4.33Å; I274-P277 VanDerWaalsContact O-CD 3.26Å; I274-P277 WeakPolarHBondContact O-CD 3.49Å; I274-I278 HydrophobicContact CD1-CD1 3.93Å; I274-I278 HydrophobicContact CD1-CG1 4.2Å; I274-I278 HydrophobicContact CG1-CD1 3.76Å; I274-I278 HydrophobicContact CG1-CG1 4.22Å; I274-I278 VanDerWaalsContact O-CG1 3.3Å; I274-I278 WeakPolarHBondContact O-CG1 3.06Å; I274-I278 PolarHBondContact O-N 3.07Å; I274-W365 HydrophobicContact CG2-CD2 3.65Å; I274-W365 HydrophobicContact CG2-CE3 3.83Å; I274-W365 HydrophobicContact CG2-CG 4.16Å; I274-W365 HydrophobicContact CG2-CH2 4.28Å; I274-W365 HydrophobicContact CG2-CZ2 4.09Å; I274-W365 HydrophobicContact CG2-CZ3 4.19Å
275Q90.5Very high89.2Confident57 Ų5728.2 Ų28.227%0.26616%0.157SC..Hα-helixtrans-52.6-51.9-179.2173.3175.46.400112.1L231 L271 I272 I278 Q279L231-Q275 HydrophobicContact CD1-CB 4.11Å; L231-Q275 HydrophobicContact CD1-CG 4.03Å; L271-Q275 PolarHBondContact O-N 3.42Å; I272-Q275 PolarHBondContact O-N 3.17Å; Q275-I278 WeakPolarHBondContact O-CB 3.35Å; Q275-I278 PolarHBondContact O-N 3.3Å; Q275-I278 VanDerWaalsContact O-N 3.15Å; Q275-Q279 WeakPolarHBondContact O-CG 3.4Å; Q275-Q279 PolarHBondContact O-N 3.01Å
276K90.4Very high89.5Confident69 Ų6923.6 Ų23.630%0.313%0.125SC..Hα-helixtrans-61.3-49.6-180-68.6-172.6177.1-172.10112.7I274 I278 Q279 L280 L302 T367I274-K276 PolarHBondContact O-N 2.93Å; K276-I278 VanDerWaalsContact C-N 3.31Å; K276-I278 PolarHBondContact O-N 2.86Å; K276-Q279 PolarHBondContact O-N 3.36Å; K276-L280 WeakPolarHBondContact O-CG 3.32Å; K276-L280 PolarHBondContact O-N 3.43Å; K276-L302 HydrophobicContact CB-CD1 4.37Å; K276-L302 HydrophobicContact CG-CD1 4.06Å; K276-T367 HydrophobicContact CB-CG2 3.83Å
277P90.9Very high89.7Confident1 Ų118.8 Ų18.81%0.00610%0.099CC..Hα-helixtrans-52-44.5169.8-29.933.1000114.2L205 I274 Q279 L280 Y281 W365L205-P277 HydrophobicContact CD1-CB 4.04Å; L205-P277 HydrophobicContact CD1-CG 4.28Å; L205-P277 HydrophobicContact CD2-CB 3.67Å; I274-P277 HydrophobicContact CB-CB 4.44Å; I274-P277 HydrophobicContact CB-CG 4.33Å; I274-P277 VanDerWaalsContact O-CD 3.26Å; I274-P277 WeakPolarHBondContact O-CD 3.49Å; P277-Q279 VanDerWaalsContact C-N 3.34Å; P277-Q279 PolarHBondContact O-N 3.27Å; P277-L280 WeakPolarHBondContact O-CB 3.47Å; P277-L280 PolarHBondContact O-N 2.88Å; P277-L280 VanDerWaalsContact O-N 3.14Å; P277-Y281 WeakPolarHBondContact O-CD2 3.43Å; P277-Y281 PolarHBondContact O-N 3.28Å; P277-W365 HydrophobicContact CG-CB 4.19Å
278I91.5Very high89.4Confident0 Ų021 Ų210%011%0.11CC..Hα-helixtrans-59.7-44.3178.2-68.9166.4000110.8C224 W227 I228 L231 L271 I274 Q275 K276 L280 Y281 Y282C224-I278 HydrophobicContact CB-CG2 4.02Å; W227-I278 HydrophobicContact CB-CG2 4.3Å; W227-I278 HydrophobicContact CE3-CD1 3.96Å; W227-I278 HydrophobicContact CE3-CG1 4.18Å; W227-I278 HydrophobicContact CE3-CG2 4.43Å; I228-I278 HydrophobicContact CD1-CG2 4.42Å; I228-I278 HydrophobicContact CG1-CG2 3.99Å; L231-I278 HydrophobicContact CD1-CD1 4.47Å; L271-I278 HydrophobicContact CB-CD1 4.38Å; L271-I278 HydrophobicContact CD2-CD1 3.71Å; I274-I278 HydrophobicContact CD1-CD1 3.93Å; I274-I278 HydrophobicContact CD1-CG1 4.2Å; I274-I278 HydrophobicContact CG1-CD1 3.76Å; I274-I278 HydrophobicContact CG1-CG1 4.22Å; I274-I278 VanDerWaalsContact O-CG1 3.3Å; I274-I278 WeakPolarHBondContact O-CG1 3.06Å; I274-I278 PolarHBondContact O-N 3.07Å; Q275-I278 WeakPolarHBondContact O-CB 3.35Å; Q275-I278 PolarHBondContact O-N 3.3Å; Q275-I278 VanDerWaalsContact O-N 3.15Å; K276-I278 VanDerWaalsContact C-N 3.31Å; K276-I278 PolarHBondContact O-N 2.86Å; I278-L280 VanDerWaalsContact C-N 3.32Å; I278-L280 PolarHBondContact O-N 3.49Å; I278-Y281 PolarHBondContact O-N 3.48Å; I278-Y282 PolarHBondContact O-N 3.41Å
279Q93Very high89.1Confident2 Ų220.9 Ų20.91%0.00911%0.111CC..Hα-helixtrans-61.4-39.2175.7-67172.1-64.300111.9I228 Q275 K276 P277 Y282 I283 E298 L302I228-Q279 HydrophobicContact CD1-CG 4.22Å; I228-Q279 HydrophobicContact CG1-CG 4.32Å; Q275-Q279 WeakPolarHBondContact O-CG 3.4Å; Q275-Q279 PolarHBondContact O-N 3.01Å; K276-Q279 PolarHBondContact O-N 3.36Å; P277-Q279 VanDerWaalsContact C-N 3.34Å; P277-Q279 PolarHBondContact O-N 3.27Å; Q279-Y282 WeakPolarHBondContact O-CB 3.09Å; Q279-Y282 PolarHBondContact O-N 3.37Å; Q279-I283 WeakPolarHBondContact O-CD1 3.28Å; Q279-I283 VanDerWaalsContact O-CG1 3.23Å; Q279-I283 WeakPolarHBondContact O-CG1 3.41Å; Q279-I283 PolarHBondContact O-N 2.96Å; Q279-E298 HydrophobicContact CB-CG 4.4Å; Q279-E298 WeakPolarHBondContact CG-OE1 3.48Å; Q279-E298 PolarHBondContact NE2-OE1 3.4Å; Q279-L302 HydrophobicContact CB-CD1 4.43Å
280L91.5Very high88.8Confident6 Ų621.6 Ų21.63%0.03112%0.124CC..Hα-helixtrans-65.4-42174.7-64.7175.4000112.6K276 P277 I278 Y282 I283 R284 L302 T367 S370 V371 L374 P1048K276-L280 WeakPolarHBondContact O-CG 3.32Å; K276-L280 PolarHBondContact O-N 3.43Å; P277-L280 WeakPolarHBondContact O-CB 3.47Å; P277-L280 PolarHBondContact O-N 2.88Å; P277-L280 VanDerWaalsContact O-N 3.14Å; I278-L280 VanDerWaalsContact C-N 3.32Å; I278-L280 PolarHBondContact O-N 3.49Å; L280-Y282 VanDerWaalsContact C-N 3.33Å; L280-I283 PolarHBondContact O-N 3.35Å; L280-R284 WeakPolarHBondContact O-CB 3.45Å; L280-R284 PolarHBondContact O-N 2.78Å; L280-L302 HydrophobicContact CD2-CD2 3.65Å; L280-L302 HydrophobicContact CG-CD2 4.43Å; L280-T367 HydrophobicContact CD1-CG2 3.37Å; L280-T367 HydrophobicContact CG-CG2 4.28Å; L280-S370 WeakPolarHBondContact CD1-OG 3.11Å; L280-V371 HydrophobicContact CD2-CG2 4.11Å; L280-L374 HydrophobicContact CB-CD1 4.22Å; L280-L374 HydrophobicContact CD2-CD1 3.44Å; L280-L374 VanDerWaalsContact CD2-CD1 3.44Å; L280-L374 HydrophobicContact CG-CD1 4.42Å; L280-P1048 HydrophobicContact CD1-CG 3.93Å
281Y92.7Very high88.7Confident8 Ų824.8 Ų24.83%0.03114%0.136CC..Hα-helixtrans-63.3-40.3174.9-81.7-71.7000111.4L205 L208 E209 L212 P277 I278 R284 A285 P1048L205-Y281 HydrophobicContact CD2-CD2 4.32Å; L205-Y281 HydrophobicContact CD2-CE2 3.93Å; L205-Y281 PolarHBondContact O-OH 3.39Å; L208-Y281 HydrophobicContact CB-CD1 3.85Å; L208-Y281 HydrophobicContact CB-CD2 4.21Å; L208-Y281 HydrophobicContact CB-CE1 3.88Å; L208-Y281 HydrophobicContact CB-CE2 4.26Å; L208-Y281 HydrophobicContact CB-CG 4.05Å; L208-Y281 HydrophobicContact CD1-CD2 3.71Å; L208-Y281 HydrophobicContact CD1-CE2 4.27Å; L208-Y281 HydrophobicContact CD1-CG 3.89Å; E209-Y281 HydrophobicContact CB-CE1 4.21Å; E209-Y281 WeakPolarHBondContact OE2-CE1 3.42Å; E209-Y281 PolarHBondContact OE2-OH 3.43Å; L212-Y281 HydrophobicContact CD1-CD1 3.67Å; L212-Y281 HydrophobicContact CD1-CE1 4.01Å; L212-Y281 HydrophobicContact CG-CD1 4.47Å; P277-Y281 WeakPolarHBondContact O-CD2 3.43Å; P277-Y281 PolarHBondContact O-N 3.28Å; I278-Y281 PolarHBondContact O-N 3.48Å; Y281-R284 PolarHBondContact O-N 3Å; Y281-A285 WeakPolarHBondContact O-CB 3.44Å; Y281-A285 PolarHBondContact O-N 3.33Å; Y281-P1048 HydrophobicContact CE2-CB 4.33Å
282Y94.4Very high88.6Confident16 Ų1626.8 Ų26.86%0.06315%0.146CC..Hα-helixtrans-57.9-53.9172177.8-95.5000111.5F221 C224 D225 I228 I278 Q279 L280 R284 A285 C286 E298F221-Y282 HydrophobicContact CD2-CD2 4.21Å; F221-Y282 AromaticContact CD2-CE2 3.82Å; F221-Y282 HydrophobicContact CD2-CE2 3.82Å; F221-Y282 HydrophobicContact CE2-CD2 4.25Å; F221-Y282 AromaticContact CE2-CE2 3.41Å; F221-Y282 HydrophobicContact CE2-CE2 3.41Å; F221-Y282 VanDerWaalsContact CE2-CE2 3.41Å; F221-Y282 AromaticContact CE2-CZ 3.8Å; F221-Y282 HydrophobicContact CZ-CE2 4.14Å; C224-Y282 HydrophobicContact CB-CD2 4.22Å; D225-Y282 HydrophobicContact CB-CD2 4.19Å; D225-Y282 HydrophobicContact CB-CE2 3.76Å; D225-Y282 VanDerWaalsContact OD1-CE2 3.32Å; D225-Y282 WeakPolarHBondContact OD1-CE2 3.09Å; D225-Y282 PolarHBondContact OD1-OH 3.49Å; I228-Y282 HydrophobicContact CD1-CD1 4.23Å; I228-Y282 HydrophobicContact CD1-CD2 3.97Å; I228-Y282 HydrophobicContact CD1-CG 3.69Å; I278-Y282 PolarHBondContact O-N 3.41Å; Q279-Y282 WeakPolarHBondContact O-CB 3.09Å; Q279-Y282 PolarHBondContact O-N 3.37Å; L280-Y282 VanDerWaalsContact C-N 3.33Å; Y282-R284 VanDerWaalsContact C-N 3.3Å; Y282-R284 PolarHBondContact O-N 3.1Å; Y282-A285 WeakPolarHBondContact O-CB 3.43Å; Y282-A285 PolarHBondContact O-N 2.9Å; Y282-A285 VanDerWaalsContact O-N 3.13Å; Y282-C286 VanDerWaalsContact CE1-SG 3.58Å; Y282-C286 PolarHBondContact O-N 2.98Å; Y282-C286 PolarHBondContact O-SG 3.3Å; Y282-C286 VanDerWaalsContact O-SG 3.34Å; Y282-E298 HydrophobicContact CD1-CB 3.93Å; Y282-E298 HydrophobicContact CD1-CG 3.78Å; Y282-E298 HydrophobicContact CE1-CB 3.9Å; Y282-E298 HydrophobicContact CE1-CG 4.14Å
283I93.3Very high88.8Confident1 Ų128 Ų281%0.00515%0.154CC..Hα-helixtrans-57.7-45.4179.1-67.2161.1000110.2Q279 L280 A285 C286 L287 A295 E298 L299 L302 L374Q279-I283 WeakPolarHBondContact O-CD1 3.28Å; Q279-I283 VanDerWaalsContact O-CG1 3.23Å; Q279-I283 WeakPolarHBondContact O-CG1 3.41Å; Q279-I283 PolarHBondContact O-N 2.96Å; L280-I283 PolarHBondContact O-N 3.35Å; I283-A285 PolarHBondContact O-N 2.84Å; I283-C286 WeakPolarHBondContact O-CB 3.28Å; I283-C286 PolarHBondContact O-N 3.15Å; I283-L287 HydrophobicContact CG2-CD1 4.04Å; I283-L287 HydrophobicContact CG2-CG 4.3Å; I283-L287 VanDerWaalsContact O-CG 3.28Å; I283-L287 WeakPolarHBondContact O-CG 3.48Å; I283-L287 PolarHBondContact O-N 3.17Å; I283-A295 HydrophobicContact CG2-CB 4.26Å; I283-E298 HydrophobicContact CD1-CB 4.29Å; I283-E298 HydrophobicContact CD1-CG 4.19Å; I283-E298 HydrophobicContact CG1-CB 3.89Å; I283-E298 HydrophobicContact CG1-CG 4.01Å; I283-L299 HydrophobicContact CD1-CB 4.12Å; I283-L299 HydrophobicContact CD1-CD1 4.05Å; I283-L302 HydrophobicContact CD1-CD2 4.38Å; I283-L374 HydrophobicContact CB-CD1 4.14Å; I283-L374 HydrophobicContact CG2-CB 4.24Å; I283-L374 HydrophobicContact CG2-CD1 3.89Å; I283-L374 HydrophobicContact CG2-CD2 4.4Å; I283-L374 HydrophobicContact CG2-CG 4.42Å
284R88.7Confident89.1Confident28 Ų2830.5 Ų30.511%0.10616%0.16CC..Hα-helixtrans-62.5-41.6178.2-174.1170.6165.1-156.1-8.2111.9E209 L212 L280 Y281 Y282 L287 L288 L374 T1051E209-R284 VanDerWaalsContact CD-NH1 3.32Å; E209-R284 IonicContact OE1-CZ 3.88Å; E209-R284 IonicContact OE1-NH1 2.63Å; E209-R284 PolarHBondContact OE1-NH1 3.11Å; E209-R284 IonicContact OE1-NH2 2.66Å; E209-R284 PolarHBondContact OE1-NH2 2.96Å; E209-R284 IonicContact OE2-CZ 3.99Å; E209-R284 IonicContact OE2-NH1 3.98Å; E209-R284 PolarHBondContact OE2-NH1 3.38Å; E209-R284 IonicContact OE2-NH2 2.85Å; L212-R284 HydrophobicContact CD1-CB 4.4Å; L212-R284 HydrophobicContact CD1-CG 3.93Å; L280-R284 WeakPolarHBondContact O-CB 3.45Å; L280-R284 PolarHBondContact O-N 2.78Å; Y281-R284 PolarHBondContact O-N 3Å; Y282-R284 VanDerWaalsContact C-N 3.3Å; Y282-R284 PolarHBondContact O-N 3.1Å; R284-L287 PolarHBondContact O-N 2.84Å; R284-L288 HydrophobicContact CG-CD1 4.07Å; R284-L288 WeakPolarHBondContact O-CB 3.31Å; R284-L288 VanDerWaalsContact O-CG 3.26Å; R284-L288 WeakPolarHBondContact O-CG 3.27Å; R284-L288 PolarHBondContact O-N 2.82Å; R284-L374 HydrophobicContact CB-CD2 4.21Å; R284-T1051 PolarHBondContact NH2-OG1 2.66Å
285A88.2Confident89.2Confident0 Ų030.5 Ų30.50%016%0.16CC..Hα-helixtrans-63.7-41.2174.700000111.6V220 F221 Y281 Y282 I283 L288 T289V220-A285 HydrophobicContact CB-CB 4.28Å; V220-A285 HydrophobicContact CG1-CB 4.02Å; F221-A285 HydrophobicContact CB-CB 3.89Å; Y281-A285 WeakPolarHBondContact O-CB 3.44Å; Y281-A285 PolarHBondContact O-N 3.33Å; Y282-A285 WeakPolarHBondContact O-CB 3.43Å; Y282-A285 PolarHBondContact O-N 2.9Å; Y282-A285 VanDerWaalsContact O-N 3.13Å; I283-A285 PolarHBondContact O-N 2.84Å; A285-L288 PolarHBondContact O-N 3.38Å; A285-T289 WeakPolarHBondContact O-CB 3.38Å; A285-T289 WeakPolarHBondContact O-CG2 3.36Å; A285-T289 PolarHBondContact O-N 3.31Å; A285-T289 PolarHBondContact O-OG1 2.84Å
286C90.1Very high89.3Confident0 Ų031.1 Ų31.10%016%0.163CC..Hα-helixtrans-60.3-46.1173.2-71.30000112F221 Y282 I283 L288 T289 G290 R291 A295F221-C286 VanDerWaalsContact CD2-SG 3.58Å; Y282-C286 VanDerWaalsContact CE1-SG 3.58Å; Y282-C286 PolarHBondContact O-N 2.98Å; Y282-C286 PolarHBondContact O-SG 3.3Å; Y282-C286 VanDerWaalsContact O-SG 3.34Å; I283-C286 WeakPolarHBondContact O-CB 3.28Å; I283-C286 PolarHBondContact O-N 3.15Å; C286-L288 VanDerWaalsContact C-N 3.34Å; C286-L288 PolarHBondContact O-N 2.73Å; C286-T289 WeakPolarHBondContact CA-OG1 3.38Å; C286-T289 PolarHBondContact O-N 3.31Å; C286-T289 PolarHBondContact O-OG1 3.42Å; C286-G290 PolarHBondContact O-N 3.06Å; C286-R291 HydrophobicContact CB-CB 3.98Å; C286-R291 WeakPolarHBondContact CB-O 3.49Å; C286-R291 PolarHBondContact O-N 3.44Å; C286-A295 HydrophobicContact CB-CB 3.75Å
287L85.8Confident89.5Confident4 Ų430.7 Ų30.72%0.02117%0.168CC..Hα-helixtrans-63.6-38.4177.6-66.6174000112.3I283 R284 L292 A295 L374 Q377 L378 L381I283-L287 HydrophobicContact CG2-CD1 4.04Å; I283-L287 HydrophobicContact CG2-CG 4.3Å; I283-L287 VanDerWaalsContact O-CG 3.28Å; I283-L287 WeakPolarHBondContact O-CG 3.48Å; I283-L287 PolarHBondContact O-N 3.17Å; R284-L287 PolarHBondContact O-N 2.84Å; L287-L292 HydrophobicContact CD2-CD2 4.16Å; L287-A295 HydrophobicContact CD2-CB 3.8Å; L287-A295 HydrophobicContact CG-CB 4.1Å; L287-L374 HydrophobicContact CD1-CB 4.44Å; L287-L374 HydrophobicContact CD1-CD2 3.83Å; L287-Q377 HydrophobicContact CD1-CB 4.14Å; L287-Q377 HydrophobicContact CD1-CG 4.02Å; L287-L378 HydrophobicContact CD2-CB 3.95Å; L287-L378 HydrophobicContact CD2-CD1 3.71Å; L287-L378 HydrophobicContact CD2-CG 4.45Å; L287-L381 HydrophobicContact CB-CD1 4.1Å; L287-L381 HydrophobicContact CD2-CD1 4.03Å; L287-L381 WeakPolarHBondContact O-CD1 2.99Å
288L80.6Confident89.6Confident53 Ų5331.5 Ų31.528%0.27717%0.172SC..Hα-helixtrans-73.5-31.1178.3-70.5170.6000112.9L212 M217 R284 A285 C286L212-L288 HydrophobicContact CD2-CD1 4.08Å; M217-L288 HydrophobicContact CB-CB 4.35Å; M217-L288 HydrophobicContact SD-CB 3.8Å; R284-L288 HydrophobicContact CG-CD1 4.07Å; R284-L288 WeakPolarHBondContact O-CB 3.31Å; R284-L288 VanDerWaalsContact O-CG 3.26Å; R284-L288 WeakPolarHBondContact O-CG 3.27Å; R284-L288 PolarHBondContact O-N 2.82Å; A285-L288 PolarHBondContact O-N 3.38Å; C286-L288 VanDerWaalsContact C-N 3.34Å; C286-L288 PolarHBondContact O-N 2.73Å
289T80.3Confident89.6Confident39 Ų3931.8 Ų31.824%0.23917%0.174CC..Hα-helixtrans-89.7-6.4177.655.90000113.8M217 A285 C286M217-T289 HydrophobicContact CB-CG2 4.04Å; M217-T289 HydrophobicContact CE-CG2 4.49Å; M217-T289 HydrophobicContact CG-CG2 3.67Å; M217-T289 HydrophobicContact SD-CG2 3.72Å; A285-T289 WeakPolarHBondContact O-CB 3.38Å; A285-T289 WeakPolarHBondContact O-CG2 3.36Å; A285-T289 PolarHBondContact O-N 3.31Å; A285-T289 PolarHBondContact O-OG1 2.84Å; C286-T289 WeakPolarHBondContact CA-OG1 3.38Å; C286-T289 PolarHBondContact O-N 3.31Å; C286-T289 PolarHBondContact O-OG1 3.42Å
290G79.2Confident89.5Confident51 Ų5135.7 Ų35.753%0.52619%0.194SC..THydrogen-bonded Turntrans84.610.9179.400000115.3C286 L292C286-G290 PolarHBondContact O-N 3.06Å; G290-L292 VanDerWaalsContact C-N 3.25Å; G290-L292 PolarHBondContact O-N 3.23Å
291R87.4Confident89.4Confident70 Ų7039.1 Ų39.126%0.26421%0.212SC..  trans-79.466.9176.1-63.1-176.6-160.9-146.46.8111.1E218 C286 N293 E294 A295E218-R291 IonicContact OE1-CZ 2.76Å; E218-R291 IonicContact OE1-NH2 2.72Å; E218-R291 PolarHBondContact OE1-NH2 3Å; E218-R291 IonicContact OE2-CZ 3.2Å; E218-R291 IonicContact OE2-NH2 2.75Å; E218-R291 PolarHBondContact OE2-NH2 3.49Å; C286-R291 HydrophobicContact CB-CB 3.98Å; C286-R291 WeakPolarHBondContact CB-O 3.49Å; C286-R291 PolarHBondContact O-N 3.44Å; R291-N293 VanDerWaalsContact C-N 3.32Å; R291-N293 PolarHBondContact O-N 3.18Å; R291-E294 VanDerWaalsContact C-OE2 3.31Å; R291-E294 WeakPolarHBondContact CA-OE2 3.31Å; R291-E294 HydrophobicContact CB-CB 4.24Å; R291-E294 HydrophobicContact CB-CG 4.4Å; R291-E294 WeakPolarHBondContact CB-OE2 3.29Å; R291-A295 WeakPolarHBondContact O-CB 3.47Å; R291-A295 PolarHBondContact O-N 3.32Å
292L88.1Confident89.2Confident42 Ų4239.1 Ų39.122%0.2221%0.212CC..Hα-helixtrans-69-28.5-169.9-57.6-174.7000113.6L287 G290 E296 L378 L381 K382L287-L292 HydrophobicContact CD2-CD2 4.16Å; G290-L292 VanDerWaalsContact C-N 3.25Å; G290-L292 PolarHBondContact O-N 3.23Å; L292-E296 WeakPolarHBondContact O-CB 3.48Å; L292-E296 PolarHBondContact O-N 3.4Å; L292-L378 HydrophobicContact CB-CD1 4.28Å; L292-L378 HydrophobicContact CD2-CD1 4.3Å; L292-L381 HydrophobicContact CD1-CB 4.38Å; L292-L381 HydrophobicContact CD2-CB 3.99Å; L292-L381 HydrophobicContact CD2-CD1 3.9Å; L292-K382 HydrophobicContact CD1-CG 4.22Å
293N92.4Very high88.8Confident121 Ų12140.1 Ų40.165%0.64722%0.219SC*.Hα-helixtrans-74.3-42.6-179.5-66.1-22.3000110.8R291 E296 S297R291-N293 VanDerWaalsContact C-N 3.32Å; R291-N293 PolarHBondContact O-N 3.18Å; N293-E296 PolarHBondContact O-N 3.18Å; N293-S297 PolarHBondContact O-N 2.85Å; N293-S297 PolarHBondContact O-OG 3.01Å
294E92.7Very high88.3Confident73 Ų7343.8 Ų43.834%0.34124%0.244SC..Hα-helixtrans-64.9-40.9175.4-6383.5168.100111R291 E296 S297 E298R291-E294 VanDerWaalsContact C-OE2 3.31Å; R291-E294 WeakPolarHBondContact CA-OE2 3.31Å; R291-E294 HydrophobicContact CB-CB 4.24Å; R291-E294 HydrophobicContact CB-CG 4.4Å; R291-E294 WeakPolarHBondContact CB-OE2 3.29Å; E294-E296 VanDerWaalsContact C-N 3.35Å; E294-S297 WeakPolarHBondContact CA-OG 3.27Å; E294-S297 PolarHBondContact O-OG 2.79Å; E294-E298 PolarHBondContact O-N 3.32Å; E294-E298 VanDerWaalsContact O-N 3.12Å
295A91.3Very high87.6Confident0 Ų045.1 Ų45.10%025%0.252CS..Hα-helixtrans-60.4-44.2172.400000111.7I283 C286 L287 R291 L299 L378I283-A295 HydrophobicContact CG2-CB 4.26Å; C286-A295 HydrophobicContact CB-CB 3.75Å; L287-A295 HydrophobicContact CD2-CB 3.8Å; L287-A295 HydrophobicContact CG-CB 4.1Å; R291-A295 WeakPolarHBondContact O-CB 3.47Å; R291-A295 PolarHBondContact O-N 3.32Å; A295-L299 WeakPolarHBondContact O-CB 3.32Å; A295-L299 PolarHBondContact O-N 2.77Å; A295-L378 HydrophobicContact CB-CD1 4.29Å
296E93.9Very high86.4Confident70 Ų7047.5 Ų47.533%0.32727%0.269SS..Hα-helixtrans-68.1-42.2179.2-179168.1-129.200112.8L292 N293 E294 L299 N300 L378 K382L292-E296 WeakPolarHBondContact O-CB 3.48Å; L292-E296 PolarHBondContact O-N 3.4Å; N293-E296 PolarHBondContact O-N 3.18Å; E294-E296 VanDerWaalsContact C-N 3.35Å; E296-L299 PolarHBondContact O-N 3.3Å; E296-N300 WeakPolarHBondContact O-CB 3.33Å; E296-N300 VanDerWaalsContact O-CG 3.25Å; E296-N300 PolarHBondContact O-N 3.35Å; E296-N300 PolarHBondContact O-ND2 3.31Å; E296-L378 HydrophobicContact CB-CD2 3.93Å; E296-L378 HydrophobicContact CG-CD2 4.31Å; E296-K382 IonicContact OE1-NZ 3.65Å; E296-K382 PolarHBondContact OE1-NZ 3.01Å; E296-K382 IonicContact OE2-NZ 3.97Å; E296-K382 PolarHBondContact OE2-NZ 3.43Å
297S93.6Very high84.5Confident60 Ų6055.1 Ų55.142%0.4230%0.298SS..Hα-helixtrans-62.1-47.9178.857.60000111.5N293 E294 L299 N300 I301N293-S297 PolarHBondContact O-N 2.85Å; N293-S297 PolarHBondContact O-OG 3.01Å; E294-S297 WeakPolarHBondContact CA-OG 3.27Å; E294-S297 PolarHBondContact O-OG 2.79Å; S297-L299 VanDerWaalsContact C-N 3.35Å; S297-L299 PolarHBondContact O-N 2.99Å; S297-N300 PolarHBondContact O-N 2.92Å; S297-I301 WeakPolarHBondContact O-CG1 3.43Å; S297-I301 PolarHBondContact O-N 3.34Å; S297-I301 VanDerWaalsContact O-N 3.13Å
298E92.8Very high82.3Confident17 Ų1758.2 Ų58.28%0.07932%0.32CS..Hα-helixtrans-68.4-36.6-179.5-165.662.9-152.100111.5Q279 Y282 I283 E294 N300 I301 L302Q279-E298 HydrophobicContact CB-CG 4.4Å; Q279-E298 WeakPolarHBondContact CG-OE1 3.48Å; Q279-E298 PolarHBondContact NE2-OE1 3.4Å; Y282-E298 HydrophobicContact CD1-CB 3.93Å; Y282-E298 HydrophobicContact CD1-CG 3.78Å; Y282-E298 HydrophobicContact CE1-CB 3.9Å; Y282-E298 HydrophobicContact CE1-CG 4.14Å; I283-E298 HydrophobicContact CD1-CB 4.29Å; I283-E298 HydrophobicContact CD1-CG 4.19Å; I283-E298 HydrophobicContact CG1-CB 3.89Å; I283-E298 HydrophobicContact CG1-CG 4.01Å; E294-E298 PolarHBondContact O-N 3.32Å; E294-E298 VanDerWaalsContact O-N 3.12Å; E298-N300 VanDerWaalsContact C-N 3.34Å; E298-N300 PolarHBondContact O-N 2.89Å; E298-I301 PolarHBondContact O-N 2.85Å; E298-L302 WeakPolarHBondContact O-CB 2.95Å; E298-L302 PolarHBondContact O-N 3.2Å
299L91.6Very high80.4Confident7 Ų759.9 Ų59.94%0.03733%0.329CS..Hα-helixtrans-63.8-39.1175.6-171.565.9000112.1I283 A295 E296 S297 L302 L303 V371 Q375 L378I283-L299 HydrophobicContact CD1-CB 4.12Å; I283-L299 HydrophobicContact CD1-CD1 4.05Å; A295-L299 WeakPolarHBondContact O-CB 3.32Å; A295-L299 PolarHBondContact O-N 2.77Å; E296-L299 PolarHBondContact O-N 3.3Å; S297-L299 VanDerWaalsContact C-N 3.35Å; S297-L299 PolarHBondContact O-N 2.99Å; L299-L302 PolarHBondContact O-N 3.15Å; L299-L303 HydrophobicContact CG-CD1 4.32Å; L299-L303 WeakPolarHBondContact O-CB 3.44Å; L299-L303 WeakPolarHBondContact O-CD1 3.31Å; L299-L303 VanDerWaalsContact O-CG 3.22Å; L299-L303 WeakPolarHBondContact O-CG 3.3Å; L299-L303 PolarHBondContact O-N 3.04Å; L299-V371 HydrophobicContact CD1-CG1 4.12Å; L299-Q375 HydrophobicContact CD1-CG 4.18Å; L299-Q375 HydrophobicContact CD2-CB 4.4Å; L299-Q375 HydrophobicContact CD2-CG 3.64Å; L299-Q375 HydrophobicContact CG-CG 4.19Å; L299-L378 HydrophobicContact CD2-CD2 3.86Å
300N91.9Very high78.2Confident84 Ų8460.9 Ų60.945%0.44934%0.337SS..Hα-helixtrans-66.6-37.1175.1-73.2-29.9000112.5E296 S297 E298 S304E296-N300 WeakPolarHBondContact O-CB 3.33Å; E296-N300 VanDerWaalsContact O-CG 3.25Å; E296-N300 PolarHBondContact O-N 3.35Å; E296-N300 PolarHBondContact O-ND2 3.31Å; S297-N300 PolarHBondContact O-N 2.92Å; E298-N300 VanDerWaalsContact C-N 3.34Å; E298-N300 PolarHBondContact O-N 2.89Å; N300-S304 WeakPolarHBondContact O-CB 3.34Å; N300-S304 PolarHBondContact O-N 3.02Å; N300-S304 PolarHBondContact O-OG 3.06Å
301I89.6Confident75.6Confident77 Ų7763.5 Ų63.540%0.39534%0.339SS..Hα-helixtrans-61.7-52.3173.1-66.4166.2000109.9S297 E298 L303 S304 E305S297-I301 WeakPolarHBondContact O-CG1 3.43Å; S297-I301 PolarHBondContact O-N 3.34Å; S297-I301 VanDerWaalsContact O-N 3.13Å; E298-I301 PolarHBondContact O-N 2.85Å; I301-L303 VanDerWaalsContact C-N 3.28Å; I301-L303 PolarHBondContact O-N 3.46Å; I301-S304 WeakPolarHBondContact O-CB 3.4Å; I301-S304 PolarHBondContact O-N 3.11Å; I301-S304 VanDerWaalsContact O-N 3.07Å; I301-E305 WeakPolarHBondContact O-CG 3.38Å; I301-E305 PolarHBondContact O-N 2.97Å
302L87Confident72.7Confident8 Ų865.9 Ų65.94%0.04236%0.357CS..Hα-helixtrans-57.6-39.5179.4-172.571000112.5K276 Q279 L280 I283 E298 L299 S306 V371K276-L302 HydrophobicContact CB-CD1 4.37Å; K276-L302 HydrophobicContact CG-CD1 4.06Å; Q279-L302 HydrophobicContact CB-CD1 4.43Å; L280-L302 HydrophobicContact CD2-CD2 3.65Å; L280-L302 HydrophobicContact CG-CD2 4.43Å; I283-L302 HydrophobicContact CD1-CD2 4.38Å; E298-L302 WeakPolarHBondContact O-CB 2.95Å; E298-L302 PolarHBondContact O-N 3.2Å; L299-L302 PolarHBondContact O-N 3.15Å; L302-S306 PolarHBondContact O-N 3.27Å; L302-V371 HydrophobicContact CD2-CG2 3.92Å
303L85.7Confident69.7Low37 Ų3770 Ų7019%0.19438%0.379CS..Hα-helixtrans-68.6-43175.7-70.3166.4000111.8L299 I301 E305 S306 Y307 V371 Q375L299-L303 HydrophobicContact CG-CD1 4.32Å; L299-L303 WeakPolarHBondContact O-CB 3.44Å; L299-L303 WeakPolarHBondContact O-CD1 3.31Å; L299-L303 VanDerWaalsContact O-CG 3.22Å; L299-L303 WeakPolarHBondContact O-CG 3.3Å; L299-L303 PolarHBondContact O-N 3.04Å; I301-L303 VanDerWaalsContact C-N 3.28Å; I301-L303 PolarHBondContact O-N 3.46Å; L303-E305 VanDerWaalsContact C-N 3.3Å; L303-E305 PolarHBondContact O-N 3.26Å; L303-S306 PolarHBondContact O-N 3.13Å; L303-S306 PolarHBondContact O-OG 3.3Å; L303-Y307 WeakPolarHBondContact O-CD2 3.09Å; L303-Y307 PolarHBondContact O-N 2.64Å; L303-Y307 VanDerWaalsContact O-N 3.12Å; L303-V371 HydrophobicContact CD2-CG1 3.79Å; L303-Q375 VanDerWaalsContact CD1-NE2 3.28Å
304S83.5Confident66.7Low78 Ų7867.9 Ų67.955%0.54537%0.374SS..Hα-helixtrans-61-39.7178.8-57.60000112.1N300 I301 S306 Y307 S308N300-S304 WeakPolarHBondContact O-CB 3.34Å; N300-S304 PolarHBondContact O-N 3.02Å; N300-S304 PolarHBondContact O-OG 3.06Å; I301-S304 WeakPolarHBondContact O-CB 3.4Å; I301-S304 PolarHBondContact O-N 3.11Å; I301-S304 VanDerWaalsContact O-N 3.07Å; S304-S306 VanDerWaalsContact C-N 3.31Å; S304-S306 PolarHBondContact O-N 3.07Å; S304-Y307 PolarHBondContact O-N 2.87Å; S304-S308 PolarHBondContact O-N 2.74Å
305E74.7Confident63.5Low57 Ų5771.4 Ų71.427%0.26639%0.394SS..Hα-helixtrans-66.4-30.2173.8-69.8176.9-17400113.1I301 L303 S308 I309I301-E305 WeakPolarHBondContact O-CG 3.38Å; I301-E305 PolarHBondContact O-N 2.97Å; L303-E305 VanDerWaalsContact C-N 3.3Å; L303-E305 PolarHBondContact O-N 3.26Å; E305-S308 PolarHBondContact O-OG 3.2Å; E305-I309 WeakPolarHBondContact O-CG1 3.43Å
306S62.2Low60.4Low50 Ų5079.9 Ų79.935%0.3543%0.434SS..Hα-helixtrans-72.4-36.7175.772.20000112.5L302 L303 S304 I309 S310L302-S306 PolarHBondContact O-N 3.27Å; L303-S306 PolarHBondContact O-N 3.13Å; L303-S306 PolarHBondContact O-OG 3.3Å; S304-S306 VanDerWaalsContact C-N 3.31Å; S304-S306 PolarHBondContact O-N 3.07Å; S306-I309 PolarHBondContact O-N 3.2Å; S306-S310 PolarHBondContact O-N 2.85Å
307Y50.7Low57.1Low160 Ų16085.1 Ų85.163%0.62746%0.456SS*.Hα-helixtrans-72.3-29.5177.2-79.9-72.4000113.4L303 S304 I309 S310L303-Y307 WeakPolarHBondContact O-CD2 3.09Å; L303-Y307 PolarHBondContact O-N 2.64Å; L303-Y307 VanDerWaalsContact O-N 3.12Å; S304-Y307 PolarHBondContact O-N 2.87Å; Y307-I309 VanDerWaalsContact C-N 3.33Å; Y307-S310 PolarHBondContact O-OG 3.32Å
308S39.2Very low53.8Low69 Ų6989.3 Ų89.348%0.48347%0.473SS..Hα-helixtrans-70.3-30.2176.559.30000112.5S304 E305S304-S308 PolarHBondContact O-N 2.74Å; E305-S308 PolarHBondContact O-OG 3.2Å
309I40.5Very low50.4Low88 Ų8894.4 Ų94.445%0.45151%0.506SS..Hα-helixtrans-78.6-37.7177.2-61.1168.1000111.4E305 S306 Y307 N311 N312 D313E305-I309 WeakPolarHBondContact O-CG1 3.43Å; S306-I309 PolarHBondContact O-N 3.2Å; Y307-I309 VanDerWaalsContact C-N 3.33Å; I309-N311 PolarHBondContact O-N 3.21Å; I309-N312 PolarHBondContact O-N 3.37Å; I309-N312 VanDerWaalsContact O-N 3.11Å; I309-D313 PolarHBondContact O-N 3.08Å
310S34.3Very low47Very low60 Ų60101 Ų10142%0.4254%0.542SS..Hα-helixtrans-63.4-28.5179.8600000113.7S306 Y307 S314S306-S310 PolarHBondContact O-N 2.85Å; Y307-S310 PolarHBondContact O-OG 3.32Å; S310-S314 PolarHBondContact O-N 3.18Å
311N25Very low43.9Very low105 Ų105105.7 Ų105.756%0.56157%0.565SS**Hα-helixtrans-72.6-32.4175.3-80.3-9.6000112.8I309 S314I309-N311 PolarHBondContact O-N 3.21Å; N311-S314 PolarHBondContact O-OG 3.47Å
312N25.8Very low40.7Very low121 Ų121111 Ų11165%0.64759%0.588SS**Hα-helixtrans-73.6-34.8-179.6-78.4-17.5000112.9I309 S314I309-N312 PolarHBondContact O-N 3.37Å; I309-N312 VanDerWaalsContact O-N 3.11Å; N312-S314 VanDerWaalsContact C-N 3.34Å
313D26Very low37.5Very low128 Ų128119 Ų11968%0.68463%0.626SS**Hα-helixtrans-75.4-23.5177-79.3-18.8000113.1I309I309-D313 PolarHBondContact O-N 3.08Å
314S28.3Very low34.5Very low77 Ų77124.8 Ų124.854%0.53866%0.657SS.*Hα-helixtrans-77.3-17.4178.1710000114.4S310 N311 N312S310-S314 PolarHBondContact O-N 3.18Å; N311-S314 PolarHBondContact O-OG 3.47Å; N312-S314 VanDerWaalsContact C-N 3.34Å
315L26.1Very low31.5Very low146 Ų146126.6 Ų126.676%0.76467%0.67SS**THydrogen-bonded Turntrans-90.8-0-177.5-96.3151.2000114.9
316Q26.2Very low29Very low179 Ų179130 Ų13084%0.83669%0.694SS**THydrogen-bonded Turntrans-116.911.6176.4-79.2-168.6-5.700115.6
317K25.2Very low26.9Very low179 Ų179137.1 Ų137.178%0.77872%0.722SS**SBendtrans-119.195.4170.3-79.7-179.8179172.30111.8
318N23.8Very low25.6Very low148 Ų148135.8 Ų135.879%0.79173%0.73SS**  trans60.899.4152.7-64-16.7000117.9
319T20.7Very low24.6Very low125 Ų125142.2 Ų142.277%0.76775%0.749SS**SBendtrans-42.1136.7135.1470000111.3
320N21.6Very low23.7Very low146 Ų146145.9 Ų145.978%0.78177%0.768SS**  trans89.691.7173.3-51.1-19.3000115.7
321L25.1Very low23.2Very low181 Ų181149.1 Ų149.195%0.94879%0.786SS**  -164.8120.9118.3-100151.2000109.3
322E22.2Very low23.2Very low188 Ų188149 Ų14988%0.87979%0.791SS**  trans-65.1150.8-179.7-70.5173.9148.300112.8
323E20.4Very low23.1Very low177 Ų177150.1 Ų150.183%0.82780%0.797SS**  trans-21.8121.5163.5-61.8172.416200115.9
324N22.9Very low23.1Very low159 Ų159151.8 Ų151.885%0.8581%0.806SS**  trans-146.995.6140.5-93.3-40.4000109.5T326N324-T326 PolarHBondContact O-N 2.97Å
325S20.1Very low22.9Very low116 Ų116157.4 Ų157.481%0.81182%0.823SS**  trans-64.9111.5166.430.30000110.4
326T22Very low22.8Very low128 Ų128154 Ų15479%0.78582%0.824SS**  trans-137.4113.2155.834.10000110.1N324N324-T326 PolarHBondContact O-N 2.97Å
327E18.9Very low22.7Very low200 Ų200150 Ų15094%0.93582%0.821SS**  trans-53.8128.3169-73.1172.8120.600110.9
328V22.9Very low22.5Very low131 Ų131148.1 Ų148.179%0.79482%0.819SS**  trans-127.8110.2160.1-178.80000109.2
329K19.6Very low22.4Very low204 Ų204150 Ų15089%0.88782%0.817SS**  trans-55.3131.6169.7-102.8169.5171.4170.40110.9
330I20.7Very low22.6Very low165 Ų165152.4 Ų152.485%0.84682%0.824SS**  trans-86.8119175.3-60.2164.7000108.6
331T23.3Very low22.5Very low128 Ų128153.5 Ų153.579%0.78582%0.824SS**  trans-119.3134159.245.70000108.6
332P26.3Very low22.5Very low103 Ų103149.5 Ų149.567%0.66982%0.818SS**  trans-87.2166.3-172.837.2-34.6000111.9
333D23.2Very low22.6Very low145 Ų145150 Ų15078%0.77582%0.817SS**  trans87.692170.9-49.7-22.5000115.3
334D26.4Very low22.6Very low163 Ų163151 Ų15187%0.87282%0.818SS**  -175.3144.3108.2-103.5-25.5000112.4
335E23.9Very low22.7Very low195 Ų195151.7 Ų151.791%0.91182%0.821SS**  trans-66.5130.6178.6-61.3172.3152.700111.4
336G23.4Very low22.8Very low75 Ų75153.5 Ų153.577%0.77382%0.817SS**  trans170.888.8174.800000113.7N338G336-N338 PolarHBondContact O-N 2.98Å
337A23.3Very low22.8Very low95 Ų95154.4 Ų154.479%0.78582%0.817SS**  trans-55.1126.1164.400000110.5
338N21.9Very low23Very low138 Ų138150.2 Ų150.274%0.73881%0.806SS**  trans-171.7119.4143.7-93.7-24.2000112.5G336G336-N338 PolarHBondContact O-N 2.98Å
339Y22.2Very low23Very low188 Ų188150.2 Ų150.274%0.73781%0.806SS**  trans55114.5144-74.6-95.5000120.6E341Y339-E341 HydrophobicContact CD1-CG 4.38Å
340L25.2Very low23.2Very low175 Ų175148 Ų14892%0.91680%0.798SS**  trans-137106130.9-98.4162.8000109.6A342L340-A342 PolarHBondContact O-N 2.77Å
341E19.5Very low23.4Very low169 Ų169145.5 Ų145.579%0.7980%0.795SS**  trans-59.6122.3159.7-72.6174.213300109.6Y339Y339-E341 HydrophobicContact CD1-CG 4.38Å
342A24.9Very low23.5Very low98 Ų98145.6 Ų145.681%0.8180%0.796SS**  trans-126.587.9162.700000109.3L340L340-A342 PolarHBondContact O-N 2.77Å
343K23.1Very low23.5Very low199 Ų199145.3 Ų145.387%0.86580%0.796SS**  trans26.9111.7144.8-70.5175176.5174.60117.7L345K343-L345 PolarHBondContact O-N 3.13Å
344K21.8Very low23.5Very low196 Ų196147.4 Ų147.485%0.85280%0.801SS**  trans-8.7104.4140.6-72.1175.8173.5179.80113.4
345L24.8Very low23.4Very low174 Ų174143.5 Ų143.591%0.91179%0.787SS**  trans-90.5106.2152.5-163.571.9000106.4K343K343-L345 PolarHBondContact O-N 3.13Å
346E22.3Very low23.5Very low154 Ų154142.3 Ų142.372%0.7279%0.787SS**  trans-65.2134.9177.2-71.2174.7151.900111.1
347N22.1Very low23.7Very low147 Ų147143.6 Ų143.679%0.78678%0.779SS**  trans35.792.3143.4-61.9-14.3000117.3
348T22.8Very low24Very low113 Ų113146.6 Ų146.669%0.69378%0.782SS**  trans-105.798.5142.3-37.80000107.6H350T348-H350 VanDerWaalsContact C-N 3.27Å; T348-H350 PolarHBondContact O-N 2.87Å
349T21.7Very low24.2Very low131 Ų131148.1 Ų148.180%0.80479%0.785SS**  trans-59.288.816639.40000109S351T349-S351 PolarHBondContact O-N 3.41Å
350H25.4Very low24.8Very low157 Ų157144.4 Ų144.473%0.72779%0.785SS**  trans-83.5104.7157.2-86.5-64.5000107.3T348 V352T348-H350 VanDerWaalsContact C-N 3.27Å; T348-H350 PolarHBondContact O-N 2.87Å; H350-V352 PolarHBondContact O-N 3.28Å
351S23.1Very low25.6Very low112 Ų112140.7 Ų140.778%0.78377%0.774SS**  trans-49.8101.3164.548.40000109.2T349 S353T349-S351 PolarHBondContact O-N 3.41Å; S351-S353 PolarHBondContact O-N 3.34Å
352V27Very low26.8Very low130 Ų130139.9 Ų139.979%0.78878%0.775SS**  trans-69.299.7167.7178.40000106H350 E354H350-V352 PolarHBondContact O-N 3.28Å; V352-E354 PolarHBondContact O-N 2.94Å; V352-E354 VanDerWaalsContact O-N 3.11Å
353S24.8Very low28.2Very low97 Ų97137.5 Ų137.568%0.67875%0.748SS**  trans-58.9110162.447.10000107.9S351 S355S351-S353 PolarHBondContact O-N 3.34Å; S353-S355 VanDerWaalsContact C-N 3.25Å; S353-S355 PolarHBondContact O-N 2.68Å
354E23.4Very low30Very low190 Ų190133.6 Ų133.689%0.88874%0.741SS**  trans-59.188.4164.5-69.2175.1156.600108.6V352V352-E354 PolarHBondContact O-N 2.94Å; V352-E354 VanDerWaalsContact O-N 3.11Å
355S24.9Very low32.2Very low81 Ų81125.2 Ų125.257%0.56670%0.704SS**  trans-117.696.6163.159.60000107.8S353 T357S353-S355 VanDerWaalsContact C-N 3.25Å; S353-S355 PolarHBondContact O-N 2.68Å; S355-T357 PolarHBondContact O-N 3.45Å
356D26.2Very low34.2Very low170 Ų170119 Ų11991%0.90967%0.674SS**  trans-56.274.8171.4-75.5-40.5000111.7
357T26.8Very low36.5Very low101 Ų101112.9 Ų112.962%0.6265%0.647SS**  trans-118.3123.3167.147.10000109.7S355 H359S355-T357 PolarHBondContact O-N 3.45Å; T357-H359 PolarHBondContact O-N 2.86Å
358D29.3Very low38.9Very low158 Ų158107 Ų10785%0.84562%0.621SS**  trans-68.649.2-164.5-131.3-2.2000113.8C360D358-C360 VanDerWaalsContact C-N 3.28Å; D358-C360 PolarHBondContact O-N 3.18Å
359H28.1Very low41.8Very low171 Ų171102.3 Ų102.379%0.79259%0.592SS**  trans-81.779.4176.3-76.937.5000109.7T357 S361T357-H359 PolarHBondContact O-N 2.86Å; H359-S361 PolarHBondContact O-N 2.83Å
360C34Very low44.7Very low109 Ų10996.4 Ų96.474%0.73656%0.556SS**  trans-52.5106.3155.7-1610000106.7D358 N362D358-C360 VanDerWaalsContact C-N 3.28Å; D358-C360 PolarHBondContact O-N 3.18Å; C360-N362 PolarHBondContact O-N 3.03Å
361S42Very low47.6Very low98 Ų9889.9 Ų89.969%0.68553%0.527SS*.  trans-43.7122.3178.345.40000110.1H359 I363H359-S361 PolarHBondContact O-N 2.83Å; S361-I363 PolarHBondContact O-N 3.04Å
362N44.1Very low50.7Low152 Ų15288 Ų8881%0.81350%0.504SS*.  trans-41.6114.9172-89.5-22.6000109.1C360 V364C360-N362 PolarHBondContact O-N 3.03Å; N362-V364 PolarHBondContact O-N 3.1Å
363I55.4Low53.6Low48 Ų4882 Ų8225%0.24647%0.467CS..  trans-60.2111.4174.9-62.3179000106.7D198 S361 W365D198-I363 HydrophobicContact CB-CD1 4.03Å; D198-I363 WeakPolarHBondContact OD2-CD1 2.99Å; S361-I363 PolarHBondContact O-N 3.04Å; I363-W365 PolarHBondContact O-N 3.3Å
364V60.9Low56.7Low117 Ų11777.8 Ų77.871%0.70944%0.437SS*.  trans-77.8102.9174179.10000106.7N362 C366N362-V364 PolarHBondContact O-N 3.1Å; V364-C366 PolarHBondContact O-N 2.87Å
365W66.7Low59.9Low20 Ų2070.6 Ų70.68%0.07640%0.403CS..  trans-68.384.4174.7-63.380.8000109.2R201 R202 L205 I274 P277 I363 S1046R201-W365 HydrophobicContact CB-CH2 3.59Å; R201-W365 HydrophobicContact CB-CZ2 3.4Å; R201-W365 VanDerWaalsContact CB-CZ2 3.4Å; R201-W365 HydrophobicContact CG-CZ2 4.11Å; R202-W365 HydrophobicContact CG-CH2 3.81Å; L205-W365 HydrophobicContact CD1-CE3 3.47Å; L205-W365 VanDerWaalsContact CD1-CE3 3.47Å; L205-W365 HydrophobicContact CD1-CH2 4.32Å; L205-W365 HydrophobicContact CD1-CZ3 3.33Å; L205-W365 HydrophobicContact CG-CZ3 4.42Å; I274-W365 HydrophobicContact CG2-CD2 3.65Å; I274-W365 HydrophobicContact CG2-CE3 3.83Å; I274-W365 HydrophobicContact CG2-CG 4.16Å; I274-W365 HydrophobicContact CG2-CH2 4.28Å; I274-W365 HydrophobicContact CG2-CZ2 4.09Å; I274-W365 HydrophobicContact CG2-CZ3 4.19Å; P277-W365 HydrophobicContact CG-CB 4.19Å; I363-W365 PolarHBondContact O-N 3.3Å; W365-S1046 VanDerWaalsContact CE3-CA 3.44Å
366C67.5Low63Low43 Ų4366.8 Ų66.829%0.29138%0.376SS..  trans-75.8129.2-176.4-170.10000109.7V364 G368 Y400 T1047V364-C366 PolarHBondContact O-N 2.87Å; C366-G368 VanDerWaalsContact C-N 3.28Å; C366-G368 PolarHBondContact SG-N 3.15Å; C366-Y400 WeakPolarHBondContact CB-OH 3.31Å; C366-Y400 PolarHBondContact SG-OH 3.04Å; C366-T1047 WeakPolarHBondContact O-CG2 3.27Å
367T70.2Confident65.9Low25 Ų2559 Ų5915%0.15334%0.335CS..  trans-82.2-8.5176.5500000112.6K276 L280 S370K276-T367 HydrophobicContact CB-CG2 3.83Å; L280-T367 HydrophobicContact CD1-CG2 3.37Å; L280-T367 HydrophobicContact CG-CG2 4.28Å; T367-S370 WeakPolarHBondContact O-CB 3.13Å; T367-S370 PolarHBondContact O-N 2.66Å; T367-S370 PolarHBondContact O-OG 3.33Å
368G72.6Confident68.9Low24 Ų2454.8 Ų54.825%0.24731%0.308CS..THydrogen-bonded Turntrans51.5-141.6-17900000112.7C366 S370C366-G368 VanDerWaalsContact C-N 3.28Å; C366-G368 PolarHBondContact SG-N 3.15Å; G368-S370 PolarHBondContact O-N 3.32Å
369N83Confident71.7Confident14 Ų1447.6 Ų47.68%0.07527%0.271CS..THydrogen-bonded Turntrans-80.87.2178.8-76.8-30.8000114.4V371 Y372 F373 M395 P396 E409N369-V371 PolarHBondContact O-N 3.44Å; N369-Y372 WeakPolarHBondContact O-CB 3.39Å; N369-Y372 PolarHBondContact O-N 3.49Å; N369-Y372 VanDerWaalsContact O-N 3.07Å; N369-F373 HydrophobicContact CB-CE2 4.29Å; N369-F373 WeakPolarHBondContact O-CD2 3.13Å; N369-F373 PolarHBondContact O-N 3.31Å; N369-M395 HydrophobicContact CB-CE 4.38Å; N369-M395 HydrophobicContact CB-CG 3.84Å; N369-M395 HydrophobicContact CB-SD 3.62Å; N369-M395 VanDerWaalsContact CG-CG 3.49Å; N369-P396 PolarHBondContact ND2-O 3.07Å; N369-E409 PolarHBondContact ND2-OE2 2.84Å
370S82.6Confident74.4Confident7 Ų739.9 Ų39.95%0.04924%0.235CC..Hα-helixtrans-55.5-36.3-177.560.30000113.9L280 T367 G368 Y372 F373 L374 T1050L280-S370 WeakPolarHBondContact CD1-OG 3.11Å; T367-S370 WeakPolarHBondContact O-CB 3.13Å; T367-S370 PolarHBondContact O-N 2.66Å; T367-S370 PolarHBondContact O-OG 3.33Å; G368-S370 PolarHBondContact O-N 3.32Å; S370-Y372 VanDerWaalsContact C-N 3.33Å; S370-Y372 PolarHBondContact O-N 3.31Å; S370-F373 PolarHBondContact O-N 2.85Å; S370-L374 WeakPolarHBondContact O-CG 3.25Å; S370-L374 PolarHBondContact O-N 2.83Å; S370-T1050 VanDerWaalsContact CA-CG2 3.46Å
371V87Confident76.7Confident20 Ų2037 Ų3712%0.12121%0.212CC..Hα-helixtrans-60.5-42.2178.5-179.80000111L280 L299 L302 L303 N369 F373 L374 Q375L280-V371 HydrophobicContact CD2-CG2 4.11Å; L299-V371 HydrophobicContact CD1-CG1 4.12Å; L302-V371 HydrophobicContact CD2-CG2 3.92Å; L303-V371 HydrophobicContact CD2-CG1 3.79Å; N369-V371 PolarHBondContact O-N 3.44Å; V371-F373 VanDerWaalsContact C-N 3.34Å; V371-F373 PolarHBondContact O-N 2.62Å; V371-L374 PolarHBondContact O-N 3.11Å; V371-Q375 HydrophobicContact CG1-CG 4.39Å; V371-Q375 WeakPolarHBondContact O-CB 3.38Å; V371-Q375 VanDerWaalsContact O-CG 3.3Å; V371-Q375 WeakPolarHBondContact O-CG 3.35Å; V371-Q375 PolarHBondContact O-N 3.13Å
372Y88.1Confident78.8Confident74 Ų7435.6 Ų35.629%0.2919%0.193SC..Hα-helixtrans-63-40.5176.6-76.2-85.4000111.9N369 S370 Q375 A376 M395 P396N369-Y372 WeakPolarHBondContact O-CB 3.39Å; N369-Y372 PolarHBondContact O-N 3.49Å; N369-Y372 VanDerWaalsContact O-N 3.07Å; S370-Y372 VanDerWaalsContact C-N 3.33Å; S370-Y372 PolarHBondContact O-N 3.31Å; Y372-Q375 PolarHBondContact O-N 3.01Å; Y372-A376 VanDerWaalsContact O-CB 3.28Å; Y372-A376 WeakPolarHBondContact O-CB 3.4Å; Y372-A376 PolarHBondContact O-N 3.05Å; Y372-M395 HydrophobicContact CD2-CG 4.25Å; Y372-M395 HydrophobicContact CG-CG 4.14Å; Y372-P396 VanDerWaalsContact CE2-CD 3.45Å; Y372-P396 HydrophobicContact CE2-CG 4.05Å
373F88.5Confident80.6Confident2 Ų230 Ų301%0.00917%0.172CC..Hα-helixtrans-65.2-42.5176.8-71.9-69000112.1N369 S370 V371 A376 Q377 L392 M395 I412 L413 N416 T1050N369-F373 HydrophobicContact CB-CE2 4.29Å; N369-F373 WeakPolarHBondContact O-CD2 3.13Å; N369-F373 PolarHBondContact O-N 3.31Å; S370-F373 PolarHBondContact O-N 2.85Å; V371-F373 VanDerWaalsContact C-N 3.34Å; V371-F373 PolarHBondContact O-N 2.62Å; F373-A376 PolarHBondContact O-N 2.82Å; F373-Q377 VanDerWaalsContact O-CB 3.29Å; F373-Q377 WeakPolarHBondContact O-CB 3.06Å; F373-Q377 PolarHBondContact O-N 3.2Å; F373-L392 HydrophobicContact CD1-CD2 3.86Å; F373-L392 HydrophobicContact CE1-CD2 4.06Å; F373-M395 HydrophobicContact CD2-SD 4.28Å; F373-M395 HydrophobicContact CE1-SD 4.29Å; F373-M395 HydrophobicContact CE2-CE 4.2Å; F373-M395 HydrophobicContact CE2-SD 3.65Å; F373-M395 HydrophobicContact CZ-CE 3.89Å; F373-M395 HydrophobicContact CZ-SD 3.67Å; F373-I412 HydrophobicContact CD1-CG2 4.08Å; F373-I412 HydrophobicContact CE1-CB 4.35Å; F373-I412 HydrophobicContact CE1-CG2 3.52Å; F373-I412 HydrophobicContact CZ-CB 4.26Å; F373-I412 HydrophobicContact CZ-CG2 3.79Å; F373-L413 HydrophobicContact CE1-CB 4.46Å; F373-L413 HydrophobicContact CZ-CB 4.5Å; F373-N416 WeakPolarHBondContact CD1-ND2 3.4Å; F373-T1050 VanDerWaalsContact CD2-CB 3.49Å; F373-T1050 HydrophobicContact CD2-CG2 3.7Å; F373-T1050 HydrophobicContact CE2-CG2 3.99Å
374L89.4Confident82.1Confident9 Ų932.2 Ų32.25%0.04718%0.181CC..Hα-helixtrans-68-39.7176.8-65.1177.6000112.1L280 I283 R284 L287 S370 V371 Q377 L378L280-L374 HydrophobicContact CB-CD1 4.22Å; L280-L374 HydrophobicContact CD2-CD1 3.44Å; L280-L374 VanDerWaalsContact CD2-CD1 3.44Å; L280-L374 HydrophobicContact CG-CD1 4.42Å; I283-L374 HydrophobicContact CB-CD1 4.14Å; I283-L374 HydrophobicContact CG2-CB 4.24Å; I283-L374 HydrophobicContact CG2-CD1 3.89Å; I283-L374 HydrophobicContact CG2-CD2 4.4Å; I283-L374 HydrophobicContact CG2-CG 4.42Å; R284-L374 HydrophobicContact CB-CD2 4.21Å; L287-L374 HydrophobicContact CD1-CB 4.44Å; L287-L374 HydrophobicContact CD1-CD2 3.83Å; S370-L374 WeakPolarHBondContact O-CG 3.25Å; S370-L374 PolarHBondContact O-N 2.83Å; V371-L374 PolarHBondContact O-N 3.11Å; L374-Q377 PolarHBondContact O-N 2.54Å; L374-L378 WeakPolarHBondContact O-CB 3.41Å; L374-L378 PolarHBondContact O-N 3.31Å
375Q91.6Very high83.3Confident39 Ų3929.8 Ų29.818%0.18216%0.16CC..Hα-helixtrans-60-46.6172.1-74.9174.8-40.500111.2L299 L303 V371 Y372 Q377 L378 A379 L391L299-Q375 HydrophobicContact CD1-CG 4.18Å; L299-Q375 HydrophobicContact CD2-CB 4.4Å; L299-Q375 HydrophobicContact CD2-CG 3.64Å; L299-Q375 HydrophobicContact CG-CG 4.19Å; L303-Q375 VanDerWaalsContact CD1-NE2 3.28Å; V371-Q375 HydrophobicContact CG1-CG 4.39Å; V371-Q375 WeakPolarHBondContact O-CB 3.38Å; V371-Q375 VanDerWaalsContact O-CG 3.3Å; V371-Q375 WeakPolarHBondContact O-CG 3.35Å; V371-Q375 PolarHBondContact O-N 3.13Å; Y372-Q375 PolarHBondContact O-N 3.01Å; Q375-Q377 VanDerWaalsContact C-N 3.33Å; Q375-Q377 PolarHBondContact O-N 3.45Å; Q375-L378 PolarHBondContact O-N 3.27Å; Q375-A379 WeakPolarHBondContact O-CB 3.36Å; Q375-A379 PolarHBondContact O-N 3.24Å; Q375-L391 HydrophobicContact CB-CD1 3.83Å; Q375-L391 HydrophobicContact CB-CD2 4.25Å
376A89.6Confident84.5Confident1 Ų132.1 Ų32.11%0.00818%0.179CC..Hα-helixtrans-64.7-38.7178.300000111.7Y372 F373 F380 A388 L391 L392Y372-A376 VanDerWaalsContact O-CB 3.28Å; Y372-A376 WeakPolarHBondContact O-CB 3.4Å; Y372-A376 PolarHBondContact O-N 3.05Å; F373-A376 PolarHBondContact O-N 2.82Å; A376-F380 WeakPolarHBondContact O-CB 3.36Å; A376-F380 PolarHBondContact O-N 3.35Å; A376-A388 WeakPolarHBondContact O-CB 3.26Å; A376-L391 HydrophobicContact CB-CB 4.2Å; A376-L392 HydrophobicContact CB-CD1 4.38Å; A376-L392 HydrophobicContact CB-CD2 3.65Å; A376-L392 HydrophobicContact CB-CG 3.69Å
377Q87.6Confident85.6Confident7 Ų732.9 Ų32.93%0.03318%0.18CC..Hα-helixtrans-67.4-42.4176.1-173.7177.40.900111.9L287 F373 L374 Q375 F380 L381L287-Q377 HydrophobicContact CD1-CB 4.14Å; L287-Q377 HydrophobicContact CD1-CG 4.02Å; F373-Q377 VanDerWaalsContact O-CB 3.29Å; F373-Q377 WeakPolarHBondContact O-CB 3.06Å; F373-Q377 PolarHBondContact O-N 3.2Å; L374-Q377 PolarHBondContact O-N 2.54Å; Q375-Q377 VanDerWaalsContact C-N 3.33Å; Q375-Q377 PolarHBondContact O-N 3.45Å; Q377-F380 WeakPolarHBondContact O-CB 3.37Å; Q377-F380 PolarHBondContact O-N 2.91Å; Q377-L381 HydrophobicContact CG-CD1 4.36Å; Q377-L381 WeakPolarHBondContact O-CG 2.98Å; Q377-L381 PolarHBondContact O-N 3.09Å
378L88.1Confident86.5Confident13 Ų1331.7 Ų31.77%0.06817%0.173CC..Hα-helixtrans-60.5-49.7173.9179.566.5000111L287 L292 A295 E296 L299 L374 Q375 F380 L381 K382L287-L378 HydrophobicContact CD2-CB 3.95Å; L287-L378 HydrophobicContact CD2-CD1 3.71Å; L287-L378 HydrophobicContact CD2-CG 4.45Å; L292-L378 HydrophobicContact CB-CD1 4.28Å; L292-L378 HydrophobicContact CD2-CD1 4.3Å; A295-L378 HydrophobicContact CB-CD1 4.29Å; E296-L378 HydrophobicContact CB-CD2 3.93Å; E296-L378 HydrophobicContact CG-CD2 4.31Å; L299-L378 HydrophobicContact CD2-CD2 3.86Å; L374-L378 WeakPolarHBondContact O-CB 3.41Å; L374-L378 PolarHBondContact O-N 3.31Å; Q375-L378 PolarHBondContact O-N 3.27Å; L378-F380 VanDerWaalsContact C-N 3.27Å; L378-F380 PolarHBondContact O-N 3.32Å; L378-L381 PolarHBondContact O-N 3.32Å; L378-K382 HydrophobicContact CD1-CD 4.43Å; L378-K382 HydrophobicContact CG-CD 4.36Å; L378-K382 WeakPolarHBondContact O-CB 3.5Å; L378-K382 WeakPolarHBondContact O-CG 3.41Å; L378-K382 PolarHBondContact O-N 2.91Å
379A88.6Confident87.4Confident7 Ų731.9 Ų31.96%0.05817%0.168CC..Hα-helixtrans-58.9-41.2176.200000111.3Q375 K382 G383 Q384 A388 L391Q375-A379 WeakPolarHBondContact O-CB 3.36Å; Q375-A379 PolarHBondContact O-N 3.24Å; A379-K382 PolarHBondContact O-N 2.97Å; A379-G383 PolarHBondContact O-N 3.45Å; A379-Q384 HydrophobicContact CB-CB 4.26Å; A379-Q384 WeakPolarHBondContact O-CA 3.43Å; A379-Q384 WeakPolarHBondContact O-CB 3.23Å; A379-Q384 PolarHBondContact O-N 3.23Å; A379-A388 HydrophobicContact CB-CB 4.02Å; A379-L391 HydrophobicContact CB-CD1 4.33Å
380F85.3Confident87.9Confident9 Ų937.2 Ų37.24%0.03919%0.191CC..Hα-helixtrans-60.8-49.2175.4175-91000112.4A376 Q377 L378 K382 G383 Y385 A388 I420 R423 I1054 N1058A376-F380 WeakPolarHBondContact O-CB 3.36Å; A376-F380 PolarHBondContact O-N 3.35Å; Q377-F380 WeakPolarHBondContact O-CB 3.37Å; Q377-F380 PolarHBondContact O-N 2.91Å; L378-F380 VanDerWaalsContact C-N 3.27Å; L378-F380 PolarHBondContact O-N 3.32Å; F380-K382 VanDerWaalsContact C-N 3.28Å; F380-K382 PolarHBondContact O-N 3.25Å; F380-G383 PolarHBondContact O-N 2.92Å; F380-Y385 AromaticContact CD2-CD1 3.79Å; F380-Y385 HydrophobicContact CD2-CD1 3.79Å; F380-Y385 AromaticContact CD2-CE1 3.83Å; F380-Y385 HydrophobicContact CD2-CE1 3.83Å; F380-Y385 AromaticContact CE2-CD1 3.93Å; F380-Y385 HydrophobicContact CE2-CD1 3.93Å; F380-Y385 AromaticContact CE2-CE1 3.62Å; F380-Y385 HydrophobicContact CE2-CE1 3.62Å; F380-Y385 HydrophobicContact CZ-CE1 4.3Å; F380-A388 HydrophobicContact CB-CB 4.33Å; F380-I420 HydrophobicContact CD2-CG1 3.89Å; F380-I420 HydrophobicContact CE2-CG1 4.47Å; F380-R423 HydrophobicContact CE2-CB 4.03Å; F380-R423 HydrophobicContact CE2-CG 3.83Å; F380-R423 HydrophobicContact CZ-CB 4.41Å; F380-R423 HydrophobicContact CZ-CG 3.8Å; F380-I1054 HydrophobicContact CB-CD1 3.8Å; F380-I1054 HydrophobicContact CB-CG1 4.13Å; F380-I1054 HydrophobicContact CD1-CB 4.39Å; F380-I1054 HydrophobicContact CD1-CD1 4.5Å; F380-I1054 HydrophobicContact CD1-CG1 4.2Å; F380-I1054 HydrophobicContact CD1-CG2 3.42Å; F380-I1054 VanDerWaalsContact CD1-CG2 3.42Å; F380-I1054 HydrophobicContact CD2-CD1 3.95Å; F380-I1054 HydrophobicContact CD2-CG1 4.48Å; F380-I1054 HydrophobicContact CD2-CG2 3.76Å; F380-I1054 HydrophobicContact CE1-CG2 3.4Å; F380-I1054 HydrophobicContact CE2-CG2 3.71Å; F380-I1054 HydrophobicContact CG-CB 4.45Å; F380-I1054 HydrophobicContact CG-CD1 3.78Å; F380-I1054 HydrophobicContact CG-CG1 3.97Å; F380-I1054 HydrophobicContact CG-CG2 3.64Å; F380-I1054 HydrophobicContact CZ-CG2 3.58Å; F380-N1058 WeakPolarHBondContact CZ-OD1 3.44Å
381L82.6Confident88.4Confident48 Ų4838.8 Ų38.825%0.25120%0.198SC..Hα-helixtrans-67.1-28.3180-68.8177000112.7L287 L292 Q377 L378 G383L287-L381 HydrophobicContact CB-CD1 4.1Å; L287-L381 HydrophobicContact CD2-CD1 4.03Å; L287-L381 WeakPolarHBondContact O-CD1 2.99Å; L292-L381 HydrophobicContact CD1-CB 4.38Å; L292-L381 HydrophobicContact CD2-CB 3.99Å; L292-L381 HydrophobicContact CD2-CD1 3.9Å; Q377-L381 HydrophobicContact CG-CD1 4.36Å; Q377-L381 WeakPolarHBondContact O-CG 2.98Å; Q377-L381 PolarHBondContact O-N 3.09Å; L378-L381 PolarHBondContact O-N 3.32Å; L381-G383 PolarHBondContact O-N 3.42Å
382K86Confident88.5Confident68 Ų6837.9 Ų37.930%0.29619%0.192SC..THydrogen-bonded Turntrans-77.3-3170.9-71-176.5172.9-165.20114.1L292 E296 L378 A379 F380 Q384L292-K382 HydrophobicContact CD1-CG 4.22Å; E296-K382 IonicContact OE1-NZ 3.65Å; E296-K382 PolarHBondContact OE1-NZ 3.01Å; E296-K382 IonicContact OE2-NZ 3.97Å; E296-K382 PolarHBondContact OE2-NZ 3.43Å; L378-K382 HydrophobicContact CD1-CD 4.43Å; L378-K382 HydrophobicContact CG-CD 4.36Å; L378-K382 WeakPolarHBondContact O-CB 3.5Å; L378-K382 WeakPolarHBondContact O-CG 3.41Å; L378-K382 PolarHBondContact O-N 2.91Å; A379-K382 PolarHBondContact O-N 2.97Å; F380-K382 VanDerWaalsContact C-N 3.28Å; F380-K382 PolarHBondContact O-N 3.25Å; K382-Q384 VanDerWaalsContact C-N 3.31Å; K382-Q384 HydrophobicContact CB-CG 4.32Å; K382-Q384 PolarHBondContact O-N 3.31Å
383G80.7Confident88.7Confident35 Ų3539.7 Ų39.736%0.36121%0.206SC..THydrogen-bonded Turntrans77.69.5-176.300000114.9A379 F380 L381 Y385A379-G383 PolarHBondContact O-N 3.45Å; F380-G383 PolarHBondContact O-N 2.92Å; L381-G383 PolarHBondContact O-N 3.42Å; G383-Y385 VanDerWaalsContact C-N 3.29Å; G383-Y385 WeakPolarHBondContact O-CD2 3.32Å; G383-Y385 PolarHBondContact O-N 2.82Å; G383-Y385 VanDerWaalsContact O-N 3.09Å
384Q87.7Confident88.7Confident94 Ų9442.8 Ų42.844%0.43923%0.228SC..  trans-85.462.8178.4-63.2175.9-16.300111.2A379 K382 S386 D387 A388A379-Q384 HydrophobicContact CB-CB 4.26Å; A379-Q384 WeakPolarHBondContact O-CA 3.43Å; A379-Q384 WeakPolarHBondContact O-CB 3.23Å; A379-Q384 PolarHBondContact O-N 3.23Å; K382-Q384 VanDerWaalsContact C-N 3.31Å; K382-Q384 HydrophobicContact CB-CG 4.32Å; K382-Q384 PolarHBondContact O-N 3.31Å; Q384-S386 VanDerWaalsContact C-N 3.34Å; Q384-S386 PolarHBondContact O-N 2.91Å; Q384-D387 HydrophobicContact CB-CB 4.47Å; Q384-D387 PolarHBondContact O-N 3.46Å; Q384-D387 VanDerWaalsContact O-N 3.17Å; Q384-A388 PolarHBondContact O-N 3.32Å; Q384-A388 VanDerWaalsContact O-N 3.09Å
385Y86.9Confident88.5Confident67 Ų6743.7 Ų43.726%0.26323%0.232SC..Hα-helixtrans-62.8-34.6-171.3-52.9-59.3000114.5F380 G383 D387 I389 I420 R423 T424F380-Y385 AromaticContact CD2-CD1 3.79Å; F380-Y385 HydrophobicContact CD2-CD1 3.79Å; F380-Y385 AromaticContact CD2-CE1 3.83Å; F380-Y385 HydrophobicContact CD2-CE1 3.83Å; F380-Y385 AromaticContact CE2-CD1 3.93Å; F380-Y385 HydrophobicContact CE2-CD1 3.93Å; F380-Y385 AromaticContact CE2-CE1 3.62Å; F380-Y385 HydrophobicContact CE2-CE1 3.62Å; F380-Y385 HydrophobicContact CZ-CE1 4.3Å; G383-Y385 VanDerWaalsContact C-N 3.29Å; G383-Y385 WeakPolarHBondContact O-CD2 3.32Å; G383-Y385 PolarHBondContact O-N 2.82Å; G383-Y385 VanDerWaalsContact O-N 3.09Å; Y385-D387 VanDerWaalsContact C-N 3.28Å; Y385-D387 PolarHBondContact O-N 2.8Å; Y385-I389 VanDerWaalsContact O-CG1 3.31Å; Y385-I389 WeakPolarHBondContact O-CG1 3.32Å; Y385-I389 PolarHBondContact O-N 3.2Å; Y385-I420 HydrophobicContact CD1-CG2 4.32Å; Y385-R423 HydrophobicContact CE1-CB 4.4Å; Y385-T424 HydrophobicContact CD2-CG2 3.87Å; Y385-T424 HydrophobicContact CG-CG2 3.75Å
386S91.1Very high88.1Confident69 Ų6944.8 Ų44.848%0.48324%0.243SC..Hα-helixtrans-64-37.117852.10000112Q384 K390Q384-S386 VanDerWaalsContact C-N 3.34Å; Q384-S386 PolarHBondContact O-N 2.91Å; S386-K390 VanDerWaalsContact O-CG 3.31Å; S386-K390 WeakPolarHBondContact O-CG 3.08Å; S386-K390 PolarHBondContact O-N 3.06Å; S386-K390 VanDerWaalsContact O-N 3.08Å
387D91.2Very high87.2Confident58 Ų5849.7 Ų49.731%0.3128%0.277SS..Hα-helixtrans-79.6-37.1-177.1-57.9-31.3000110Q384 Y385 I389 K390 L391Q384-D387 HydrophobicContact CB-CB 4.47Å; Q384-D387 PolarHBondContact O-N 3.46Å; Q384-D387 VanDerWaalsContact O-N 3.17Å; Y385-D387 VanDerWaalsContact C-N 3.28Å; Y385-D387 PolarHBondContact O-N 2.8Å; D387-I389 VanDerWaalsContact C-N 3.32Å; D387-I389 PolarHBondContact O-N 3.31Å; D387-K390 PolarHBondContact O-N 3.09Å; D387-K390 IonicContact OD1-NZ 3.32Å; D387-K390 PolarHBondContact OD1-NZ 3.45Å; D387-L391 WeakPolarHBondContact O-CB 3.45Å; D387-L391 VanDerWaalsContact O-CG 3.28Å; D387-L391 WeakPolarHBondContact O-CG 3.34Å; D387-L391 PolarHBondContact O-N 2.81Å
388A89.4Confident86.1Confident0 Ų050.6 Ų50.60%028%0.283CS..Hα-helixtrans-55.6-44.5168.300000112.3A376 A379 F380 Q384 L391 L392 I420A376-A388 WeakPolarHBondContact O-CB 3.26Å; A379-A388 HydrophobicContact CB-CB 4.02Å; F380-A388 HydrophobicContact CB-CB 4.33Å; Q384-A388 PolarHBondContact O-N 3.32Å; Q384-A388 VanDerWaalsContact O-N 3.09Å; A388-L391 PolarHBondContact O-N 3.4Å; A388-L392 WeakPolarHBondContact O-CG 3.43Å; A388-L392 PolarHBondContact O-N 3.21Å; A388-L392 VanDerWaalsContact O-N 3.14Å; A388-I420 HydrophobicContact CB-CD1 3.87Å
389I91.3Very high84.5Confident28 Ų2854.9 Ų54.914%0.14432%0.315CS..Hα-helixtrans-63.8-45.8176.2-69.5166.6000111.3Y385 D387 L391 L392 I393 L417 I420 Y421Y385-I389 VanDerWaalsContact O-CG1 3.31Å; Y385-I389 WeakPolarHBondContact O-CG1 3.32Å; Y385-I389 PolarHBondContact O-N 3.2Å; D387-I389 VanDerWaalsContact C-N 3.32Å; D387-I389 PolarHBondContact O-N 3.31Å; I389-L391 VanDerWaalsContact C-N 3.35Å; I389-L391 PolarHBondContact O-N 3.44Å; I389-L392 PolarHBondContact O-N 3.07Å; I389-I393 HydrophobicContact CG2-CD1 3.57Å; I389-I393 HydrophobicContact CG2-CG1 4.32Å; I389-I393 WeakPolarHBondContact O-CG1 3.09Å; I389-I393 PolarHBondContact O-N 3.4Å; I389-L417 HydrophobicContact CG2-CD2 4.41Å; I389-I420 HydrophobicContact CD1-CG2 3.89Å; I389-I420 HydrophobicContact CG1-CB 4.38Å; I389-I420 HydrophobicContact CG1-CD1 4.25Å; I389-I420 HydrophobicContact CG1-CG2 3.74Å; I389-Y421 HydrophobicContact CD1-CD1 4.41Å; I389-Y421 HydrophobicContact CD1-CE1 3.94Å
390K93.6Very high83.1Confident127 Ų12758.4 Ų58.455%0.55233%0.327SS*.Hα-helixtrans-59.6-46.2178.7-72.3170.4-163.31580111.2S386 D387 L392 I393 S394S386-K390 VanDerWaalsContact O-CG 3.31Å; S386-K390 WeakPolarHBondContact O-CG 3.08Å; S386-K390 PolarHBondContact O-N 3.06Å; S386-K390 VanDerWaalsContact O-N 3.08Å; D387-K390 PolarHBondContact O-N 3.09Å; D387-K390 IonicContact OD1-NZ 3.32Å; D387-K390 PolarHBondContact OD1-NZ 3.45Å; K390-L392 PolarHBondContact O-N 3.15Å; K390-I393 PolarHBondContact O-N 2.9Å; K390-S394 WeakPolarHBondContact O-CB 3.01Å; K390-S394 PolarHBondContact O-N 2.65Å; K390-S394 PolarHBondContact O-OG 3.29Å
391L91.6Very high81.4Confident40 Ų4064.8 Ų64.821%0.20936%0.362CS..Hα-helixtrans-57.8-48.4179.4-75.1164.2000111.4Q375 A376 A379 D387 A388 I389 S394 M395Q375-L391 HydrophobicContact CB-CD1 3.83Å; Q375-L391 HydrophobicContact CB-CD2 4.25Å; A376-L391 HydrophobicContact CB-CB 4.2Å; A379-L391 HydrophobicContact CB-CD1 4.33Å; D387-L391 WeakPolarHBondContact O-CB 3.45Å; D387-L391 VanDerWaalsContact O-CG 3.28Å; D387-L391 WeakPolarHBondContact O-CG 3.34Å; D387-L391 PolarHBondContact O-N 2.81Å; A388-L391 PolarHBondContact O-N 3.4Å; I389-L391 VanDerWaalsContact C-N 3.35Å; I389-L391 PolarHBondContact O-N 3.44Å; L391-S394 WeakPolarHBondContact CA-OG 3.47Å; L391-S394 PolarHBondContact O-N 3.33Å; L391-S394 PolarHBondContact O-OG 3.33Å; L391-M395 PolarHBondContact O-N 2.95Å
392L90.4Very high80.1Confident0 Ų062.9 Ų62.90%035%0.352CS..Hα-helixtrans-63.5-44.1178.2-71.6-178.5000112.5F373 A376 A388 I389 K390 S394 M395 L413 N416 L417 I420F373-L392 HydrophobicContact CD1-CD2 3.86Å; F373-L392 HydrophobicContact CE1-CD2 4.06Å; A376-L392 HydrophobicContact CB-CD1 4.38Å; A376-L392 HydrophobicContact CB-CD2 3.65Å; A376-L392 HydrophobicContact CB-CG 3.69Å; A388-L392 WeakPolarHBondContact O-CG 3.43Å; A388-L392 PolarHBondContact O-N 3.21Å; A388-L392 VanDerWaalsContact O-N 3.14Å; I389-L392 PolarHBondContact O-N 3.07Å; K390-L392 PolarHBondContact O-N 3.15Å; L392-S394 VanDerWaalsContact C-N 3.33Å; L392-M395 VanDerWaalsContact O-CB 3.29Å; L392-M395 WeakPolarHBondContact O-CB 3.28Å; L392-M395 PolarHBondContact O-N 2.81Å; L392-L413 HydrophobicContact CB-CD1 3.6Å; L392-L413 HydrophobicContact CD2-CD1 3.91Å; L392-L413 HydrophobicContact CG-CD1 4.21Å; L392-L413 VanDerWaalsContact O-CD1 3.26Å; L392-L413 WeakPolarHBondContact O-CD1 3.46Å; L392-N416 HydrophobicContact CD1-CB 3.82Å; L392-L417 HydrophobicContact CB-CD2 4.05Å; L392-L417 HydrophobicContact CB-CG 4.43Å; L392-L417 HydrophobicContact CD1-CD2 3.95Å; L392-L417 HydrophobicContact CD1-CG 4.1Å; L392-I420 HydrophobicContact CD1-CD1 3.49Å; L392-I420 VanDerWaalsContact CD1-CD1 3.49Å
393I90.6Very high78.9Confident113 Ų11363.5 Ų63.558%0.57936%0.362SS*.Hα-helixtrans-69.9-32.3178.9-66.8173.6000111.6I389 K390 M395 L417I389-I393 HydrophobicContact CG2-CD1 3.57Å; I389-I393 HydrophobicContact CG2-CG1 4.32Å; I389-I393 WeakPolarHBondContact O-CG1 3.09Å; I389-I393 PolarHBondContact O-N 3.4Å; K390-I393 PolarHBondContact O-N 2.9Å; I393-M395 PolarHBondContact O-N 3.48Å; I393-L417 HydrophobicContact CG1-CD2 4.43Å
394S88.9Confident77.9Confident67 Ų6762.1 Ų62.147%0.46935%0.347SS..THydrogen-bonded Turntrans-77.7-1.5179.168.10000114.4K390 L391 L392K390-S394 WeakPolarHBondContact O-CB 3.01Å; K390-S394 PolarHBondContact O-N 2.65Å; K390-S394 PolarHBondContact O-OG 3.29Å; L391-S394 WeakPolarHBondContact CA-OG 3.47Å; L391-S394 PolarHBondContact O-N 3.33Å; L391-S394 PolarHBondContact O-OG 3.33Å; L392-S394 VanDerWaalsContact C-N 3.33Å
395M86Confident76.5Confident28 Ų2859.4 Ų59.414%0.13834%0.335CS..PPolyproline II helixtrans-63.5126.7-175.6-166.717480.700110.7N369 Y372 F373 L391 L392 I393 E409 L413N369-M395 HydrophobicContact CB-CE 4.38Å; N369-M395 HydrophobicContact CB-CG 3.84Å; N369-M395 HydrophobicContact CB-SD 3.62Å; N369-M395 VanDerWaalsContact CG-CG 3.49Å; Y372-M395 HydrophobicContact CD2-CG 4.25Å; Y372-M395 HydrophobicContact CG-CG 4.14Å; F373-M395 HydrophobicContact CD2-SD 4.28Å; F373-M395 HydrophobicContact CE1-SD 4.29Å; F373-M395 HydrophobicContact CE2-CE 4.2Å; F373-M395 HydrophobicContact CE2-SD 3.65Å; F373-M395 HydrophobicContact CZ-CE 3.89Å; F373-M395 HydrophobicContact CZ-SD 3.67Å; L391-M395 PolarHBondContact O-N 2.95Å; L392-M395 VanDerWaalsContact O-CB 3.29Å; L392-M395 WeakPolarHBondContact O-CB 3.28Å; L392-M395 PolarHBondContact O-N 2.81Å; I393-M395 PolarHBondContact O-N 3.48Å; M395-E409 HydrophobicContact CE-CB 4.42Å; M395-L413 HydrophobicContact CE-CB 4.42Å; M395-L413 HydrophobicContact CE-CD1 4.33Å; M395-L413 HydrophobicContact CE-CD2 4.21Å
396P82Confident75.5Confident61 Ų6160.4 Ų60.440%0.39634%0.342SS..PPolyproline II helixtrans-59.5148.5177.7-23.833.6000112.2N369 Y372N369-P396 PolarHBondContact ND2-O 3.07Å; Y372-P396 VanDerWaalsContact CE2-CD 3.45Å; Y372-P396 HydrophobicContact CE2-CG 4.05Å
397S71.8Confident74.6Confident104 Ų10457.7 Ų57.773%0.72732%0.322SS*.PPolyproline II helixtrans-59.7135.4167.1-590000109.3S399S397-S399 PolarHBondContact O-N 3.01Å
398P65Low73.6Confident26 Ų2656.2 Ų56.217%0.16931%0.314CS..PPolyproline II helixtrans-56.2135.1-175.817.6-28.8000110.8Y400 H406P398-Y400 HydrophobicContact CB-CD2 4.24Å; P398-Y400 PolarHBondContact O-N 3.09Å; P398-H406 HydrophobicContact CG-CB 3.87Å
399S54.6Low73.1Confident104 Ų10457 Ų5773%0.72732%0.317SS*.SBendtrans-74.51.3-179.852.70000113.7S397S397-S399 PolarHBondContact O-N 3.01Å
400Y59.4Low72.7Confident80 Ų8056.7 Ų56.731%0.31432%0.318SS..SBendtrans-92.8138-177.3-51.6-72.5000111.5C366 P398 S402C366-Y400 WeakPolarHBondContact CB-OH 3.31Å; C366-Y400 PolarHBondContact SG-OH 3.04Å; P398-Y400 HydrophobicContact CB-CD2 4.24Å; P398-Y400 PolarHBondContact O-N 3.09Å; Y400-S402 PolarHBondContact O-N 3.39Å
401N48.4Very low72.2Confident144 Ų14451 Ų5177%0.7729%0.293SS*.SBendtrans-68.913.8174.6-65.1-14.3000114
402S55.1Low71.8Confident7 Ų749.4 Ų49.45%0.04929%0.285CS..  trans-97.5113.6-176.5-168.30000112Y400 A404 M405 H406 C1042Y400-S402 PolarHBondContact O-N 3.39Å; S402-A404 PolarHBondContact O-N 3.22Å; S402-M405 PolarHBondContact O-N 3.13Å; S402-H406 PolarHBondContact O-N 2.86Å; S402-C1042 VanDerWaalsContact CB-CB 3.48Å; S402-C1042 WeakPolarHBondContact CB-SG 3.31Å; S402-C1042 VanDerWaalsContact OG-CB 3.27Å; S402-C1042 WeakPolarHBondContact OG-CB 3.46Å
403T61.9Low71.7Confident81 Ų8151 Ų5150%0.49729%0.294SS..Hα-helixtrans-57.5-35.8171.4-400000112.1H406 D407T403-H406 PolarHBondContact O-N 3.27Å; T403-D407 VanDerWaalsContact O-CG 3.3Å; T403-D407 PolarHBondContact O-N 3.12Å
404A59Low71.7Confident6 Ų647.2 Ų47.25%0.0527%0.273CS..Hα-helixtrans-69-40.9-177.500000113.1S402 D407 L408 W1043S402-A404 PolarHBondContact O-N 3.22Å; A404-D407 PolarHBondContact O-N 3.24Å; A404-L408 PolarHBondContact O-N 3.12Å; A404-L408 VanDerWaalsContact O-N 3.08Å; A404-W1043 HydrophobicContact CB-CH2 4Å; A404-W1043 HydrophobicContact CB-CZ2 4.18Å
405M57.4Low71.7Confident38 Ų3844.1 Ų44.119%0.18725%0.251CS..Hα-helixtrans-69.1-37.7175.3-72.4-69.8101.800112S402 D407 L408 E409 W1043S402-M405 PolarHBondContact O-N 3.13Å; M405-D407 VanDerWaalsContact C-N 3.3Å; M405-D407 PolarHBondContact O-N 3.43Å; M405-L408 HydrophobicContact CE-CD2 3.89Å; M405-L408 PolarHBondContact O-N 3.14Å; M405-L408 HydrophobicContact SD-CD2 4.36Å; M405-E409 PolarHBondContact O-N 3.5Å; M405-W1043 HydrophobicContact CE-CE3 4.33Å; M405-W1043 HydrophobicContact CE-CH2 3.88Å; M405-W1043 HydrophobicContact CE-CZ3 3.45Å; M405-W1043 VanDerWaalsContact CE-CZ3 3.45Å
406H66.8Low71.8Confident87 Ų8742.9 Ų42.940%0.40325%0.245SC..Hα-helixtrans-60.7-41173.2177.5-77.2000111.8P398 S402 T403 S410P398-H406 HydrophobicContact CG-CB 3.87Å; S402-H406 PolarHBondContact O-N 2.86Å; T403-H406 PolarHBondContact O-N 3.27Å; H406-S410 WeakPolarHBondContact O-CB 2.78Å; H406-S410 PolarHBondContact O-N 2.91Å
407D72.9Confident72.2Confident12 Ų1240.5 Ų40.56%0.06423%0.229CC..Hα-helixtrans-64.1-42.3175.8-74.7-12.2000112.2T403 A404 M405 S410 V411 Q440 T444T403-D407 VanDerWaalsContact O-CG 3.3Å; T403-D407 PolarHBondContact O-N 3.12Å; A404-D407 PolarHBondContact O-N 3.24Å; M405-D407 VanDerWaalsContact C-N 3.3Å; M405-D407 PolarHBondContact O-N 3.43Å; D407-S410 WeakPolarHBondContact O-CB 3.08Å; D407-S410 PolarHBondContact O-N 2.98Å; D407-V411 VanDerWaalsContact O-CG2 3.28Å; D407-V411 WeakPolarHBondContact O-CG2 3.34Å; D407-V411 PolarHBondContact O-N 3.25Å; D407-Q440 HydrophobicContact CB-CG 4.49Å; D407-Q440 PolarHBondContact OD1-NE2 3.39Å; D407-T444 HydrophobicContact CB-CG2 4.33Å; D407-T444 WeakPolarHBondContact CB-OG1 3.2Å; D407-T444 PolarHBondContact OD2-OG1 3.06Å
408L70.1Confident73Confident27 Ų2735.6 Ų35.614%0.14119%0.194CC..Hα-helixtrans-58.9-54.2176.5178.257.8000112A404 M405 S410 V411 I412 L486A404-L408 PolarHBondContact O-N 3.12Å; A404-L408 VanDerWaalsContact O-N 3.08Å; M405-L408 HydrophobicContact CE-CD2 3.89Å; M405-L408 PolarHBondContact O-N 3.14Å; M405-L408 HydrophobicContact SD-CD2 4.36Å; L408-S410 PolarHBondContact O-N 3.46Å; L408-V411 PolarHBondContact O-N 3.09Å; L408-V411 VanDerWaalsContact O-N 3.15Å; L408-I412 HydrophobicContact CD1-CD1 3.68Å; L408-I412 HydrophobicContact CD1-CG1 4.22Å; L408-I412 HydrophobicContact CG-CD1 3.83Å; L408-I412 WeakPolarHBondContact O-CG1 3.18Å; L408-I412 PolarHBondContact O-N 3.13Å; L408-L486 HydrophobicContact CB-CD2 3.63Å; L408-L486 HydrophobicContact CD1-CD2 3.26Å; L408-L486 HydrophobicContact CD1-CG 4.45Å; L408-L486 HydrophobicContact CG-CD2 3.97Å
409E77.5Confident74.1Confident17 Ų1734.7 Ų34.78%0.07919%0.188CC..Hα-helixtrans-60.7-38.2179.8-71.1-171.2171.400111.1N369 M395 M405 I412 L413N369-E409 PolarHBondContact ND2-OE2 2.84Å; M395-E409 HydrophobicContact CE-CB 4.42Å; M405-E409 PolarHBondContact O-N 3.5Å; E409-I412 PolarHBondContact O-N 3.49Å; E409-L413 WeakPolarHBondContact O-CB 3.46Å; E409-L413 PolarHBondContact O-N 2.75Å
410S83.9Confident75.5Confident21 Ų2129.7 Ų29.715%0.14715%0.153CC..Hα-helixtrans-62.7-42.7175.9-168.40000112.4H406 D407 L408 K414H406-S410 WeakPolarHBondContact O-CB 2.78Å; H406-S410 PolarHBondContact O-N 2.91Å; D407-S410 WeakPolarHBondContact O-CB 3.08Å; D407-S410 PolarHBondContact O-N 2.98Å; L408-S410 PolarHBondContact O-N 3.46Å; S410-K414 WeakPolarHBondContact O-CB 2.88Å; S410-K414 VanDerWaalsContact O-CD 3.31Å; S410-K414 WeakPolarHBondContact O-CD 3.39Å; S410-K414 VanDerWaalsContact O-CG 3.22Å; S410-K414 WeakPolarHBondContact O-CG 3.36Å; S410-K414 PolarHBondContact O-N 3.31Å; S410-K414 WeakPolarHBondContact OG-CE 3.35Å; S410-K414 PolarHBondContact OG-NZ 2.9Å
411V83.8Confident76.7Confident7 Ų727.6 Ų27.64%0.04215%0.145CC..Hα-helixtrans-62.7-49.1177.6168.50000110.6D407 L408 K414 N415 A437 Q440 I441 L492D407-V411 VanDerWaalsContact O-CG2 3.28Å; D407-V411 WeakPolarHBondContact O-CG2 3.34Å; D407-V411 PolarHBondContact O-N 3.25Å; L408-V411 PolarHBondContact O-N 3.09Å; L408-V411 VanDerWaalsContact O-N 3.15Å; V411-K414 PolarHBondContact O-N 3.45Å; V411-N415 WeakPolarHBondContact O-CB 3.36Å; V411-N415 PolarHBondContact O-N 3.22Å; V411-A437 HydrophobicContact CG1-CB 4.41Å; V411-Q440 HydrophobicContact CG2-CB 3.84Å; V411-Q440 HydrophobicContact CG2-CG 3.94Å; V411-I441 HydrophobicContact CG1-CD1 3.84Å; V411-I441 HydrophobicContact CG1-CG1 4Å; V411-I441 HydrophobicContact CG2-CD1 4.46Å; V411-I441 HydrophobicContact CG2-CG1 3.72Å; V411-L492 HydrophobicContact CG1-CD1 3.94Å
412I83.3Confident78.3Confident8 Ų821.4 Ų21.44%0.04111%0.112CC..Hα-helixtrans-61.7-47.7179.1-65.7163.4000110.4F373 L408 E409 K414 N415 N416 T1050F373-I412 HydrophobicContact CD1-CG2 4.08Å; F373-I412 HydrophobicContact CE1-CB 4.35Å; F373-I412 HydrophobicContact CE1-CG2 3.52Å; F373-I412 HydrophobicContact CZ-CB 4.26Å; F373-I412 HydrophobicContact CZ-CG2 3.79Å; L408-I412 HydrophobicContact CD1-CD1 3.68Å; L408-I412 HydrophobicContact CD1-CG1 4.22Å; L408-I412 HydrophobicContact CG-CD1 3.83Å; L408-I412 WeakPolarHBondContact O-CG1 3.18Å; L408-I412 PolarHBondContact O-N 3.13Å; E409-I412 PolarHBondContact O-N 3.49Å; I412-K414 VanDerWaalsContact C-N 3.34Å; I412-K414 PolarHBondContact O-N 3.38Å; I412-N415 PolarHBondContact O-N 2.93Å; I412-N416 WeakPolarHBondContact O-CB 3.3Å; I412-N416 PolarHBondContact O-N 3.47Å; I412-T1050 WeakPolarHBondContact CD1-O 3.42Å; I412-T1050 WeakPolarHBondContact CD1-OG1 3.36Å; I412-T1050 VanDerWaalsContact CG2-O 3.28Å; I412-T1050 WeakPolarHBondContact CG2-O 3.11Å
413L88.3Confident79.1Confident34 Ų3423.4 Ų23.418%0.17812%0.118CC..Hα-helixtrans-54.4-49.8177.7176.967.5000111.6F373 L392 M395 E409 N416 L417F373-L413 HydrophobicContact CE1-CB 4.46Å; F373-L413 HydrophobicContact CZ-CB 4.5Å; L392-L413 HydrophobicContact CB-CD1 3.6Å; L392-L413 HydrophobicContact CD2-CD1 3.91Å; L392-L413 HydrophobicContact CG-CD1 4.21Å; L392-L413 VanDerWaalsContact O-CD1 3.26Å; L392-L413 WeakPolarHBondContact O-CD1 3.46Å; M395-L413 HydrophobicContact CE-CB 4.42Å; M395-L413 HydrophobicContact CE-CD1 4.33Å; M395-L413 HydrophobicContact CE-CD2 4.21Å; E409-L413 WeakPolarHBondContact O-CB 3.46Å; E409-L413 PolarHBondContact O-N 2.75Å; L413-N416 PolarHBondContact O-N 3.09Å; L413-L417 HydrophobicContact CD1-CD1 4.45Å; L413-L417 HydrophobicContact CG-CD1 4.27Å; L413-L417 WeakPolarHBondContact O-CG 3.21Å; L413-L417 PolarHBondContact O-N 2.9Å
414K90.1Very high80Confident32 Ų3221 Ų2114%0.13910%0.103CC..Hα-helixtrans-66.2-39.7179.8-73.3163.6177.4161.10112.3S410 V411 I412 S418 Q433 H436 A437S410-K414 WeakPolarHBondContact O-CB 2.88Å; S410-K414 VanDerWaalsContact O-CD 3.31Å; S410-K414 WeakPolarHBondContact O-CD 3.39Å; S410-K414 VanDerWaalsContact O-CG 3.22Å; S410-K414 WeakPolarHBondContact O-CG 3.36Å; S410-K414 PolarHBondContact O-N 3.31Å; S410-K414 WeakPolarHBondContact OG-CE 3.35Å; S410-K414 PolarHBondContact OG-NZ 2.9Å; V411-K414 PolarHBondContact O-N 3.45Å; I412-K414 VanDerWaalsContact C-N 3.34Å; I412-K414 PolarHBondContact O-N 3.38Å; K414-S418 WeakPolarHBondContact O-CB 3.37Å; K414-S418 PolarHBondContact O-N 2.67Å; K414-Q433 WeakPolarHBondContact O-CB 3.3Å; K414-H436 HydrophobicContact CD-CB 3.76Å; K414-H436 HydrophobicContact CG-CB 4.42Å; K414-A437 HydrophobicContact CB-CB 3.85Å
415N87.5Confident80.6Confident3 Ų321 Ų212%0.01610%0.104CC..Hα-helixtrans-61.5-47.9174.1-175.538.5000110.9V411 I412 L417 S418 L419 I434 L492 N495V411-N415 WeakPolarHBondContact O-CB 3.36Å; V411-N415 PolarHBondContact O-N 3.22Å; I412-N415 PolarHBondContact O-N 2.93Å; N415-L417 PolarHBondContact O-N 3.12Å; N415-S418 WeakPolarHBondContact O-CA 3.29Å; N415-S418 WeakPolarHBondContact O-CB 3.22Å; N415-S418 PolarHBondContact O-N 3.23Å; N415-L419 VanDerWaalsContact O-CG 3.31Å; N415-L419 WeakPolarHBondContact O-CG 3.18Å; N415-L419 PolarHBondContact O-N 3.47Å; N415-I434 HydrophobicContact CB-CD1 4.45Å; N415-I434 WeakPolarHBondContact OD1-CD1 3.43Å; N415-L492 HydrophobicContact CB-CD2 3.68Å; N415-L492 WeakPolarHBondContact OD1-CD2 3.33Å; N415-N495 PolarHBondContact OD1-ND2 3.38Å; N415-N495 VanDerWaalsContact OD1-ND2 3.08Å
416N88.7Confident81.7Confident1 Ų122.5 Ų22.51%0.00511%0.107CC..Hα-helixtrans-62.1-43.6178.4-74.8-16.6000112.9F373 L392 I412 L413 S418 L419 I420 G1052 I1053 I1054F373-N416 WeakPolarHBondContact CD1-ND2 3.4Å; L392-N416 HydrophobicContact CD1-CB 3.82Å; I412-N416 WeakPolarHBondContact O-CB 3.3Å; I412-N416 PolarHBondContact O-N 3.47Å; L413-N416 PolarHBondContact O-N 3.09Å; N416-S418 VanDerWaalsContact C-N 3.28Å; N416-S418 PolarHBondContact O-N 2.89Å; N416-L419 PolarHBondContact O-N 2.87Å; N416-I420 WeakPolarHBondContact O-CG1 3.23Å; N416-I420 PolarHBondContact O-N 2.79Å; N416-G1052 PolarHBondContact ND2-O 2.64Å; N416-G1052 PolarHBondContact OD1-O 3.12Å; N416-I1053 VanDerWaalsContact OD1-CA 3.24Å; N416-I1053 WeakPolarHBondContact OD1-CA 3.5Å; N416-I1054 HydrophobicContact CB-CD1 4.4Å; N416-I1054 PolarHBondContact OD1-N 3.21Å
417L91Very high82.4Confident12 Ų1218.8 Ų18.86%0.0639%0.091CC..Hα-helixtrans-59.3-41.7172.2-74.3171.3000111.3I389 L392 I393 L413 N415 L419 I420 Y421 Q433I389-L417 HydrophobicContact CG2-CD2 4.41Å; L392-L417 HydrophobicContact CB-CD2 4.05Å; L392-L417 HydrophobicContact CB-CG 4.43Å; L392-L417 HydrophobicContact CD1-CD2 3.95Å; L392-L417 HydrophobicContact CD1-CG 4.1Å; I393-L417 HydrophobicContact CG1-CD2 4.43Å; L413-L417 HydrophobicContact CD1-CD1 4.45Å; L413-L417 HydrophobicContact CG-CD1 4.27Å; L413-L417 WeakPolarHBondContact O-CG 3.21Å; L413-L417 PolarHBondContact O-N 2.9Å; N415-L417 PolarHBondContact O-N 3.12Å; L417-L419 VanDerWaalsContact C-N 3.28Å; L417-L419 PolarHBondContact O-N 2.89Å; L417-I420 PolarHBondContact O-N 3Å; L417-Y421 HydrophobicContact CB-CD2 4.45Å; L417-Y421 HydrophobicContact CB-CE2 4.25Å; L417-Y421 WeakPolarHBondContact O-CB 3.31Å; L417-Y421 WeakPolarHBondContact O-CD2 3.5Å; L417-Y421 PolarHBondContact O-N 2.69Å; L417-Q433 HydrophobicContact CB-CB 4.47Å; L417-Q433 HydrophobicContact CB-CG 4.15Å
418S89.3Confident83Confident0 Ų022.7 Ų22.70%012%0.116CC..Hα-helixtrans-56.9-44.3175.7-174.60000112.1K414 N415 N416 Y421 H422 G430 Q499K414-S418 WeakPolarHBondContact O-CB 3.37Å; K414-S418 PolarHBondContact O-N 2.67Å; N415-S418 WeakPolarHBondContact O-CA 3.29Å; N415-S418 WeakPolarHBondContact O-CB 3.22Å; N415-S418 PolarHBondContact O-N 3.23Å; N416-S418 VanDerWaalsContact C-N 3.28Å; N416-S418 PolarHBondContact O-N 2.89Å; S418-Y421 PolarHBondContact O-N 2.89Å; S418-H422 PolarHBondContact O-N 3.39Å; S418-G430 WeakPolarHBondContact CB-O 3.44Å; S418-G430 VanDerWaalsContact OG-C 3.31Å; S418-G430 PolarHBondContact OG-O 3.38Å; S418-Q499 PolarHBondContact O-NE2 3.17Å; S418-Q499 VanDerWaalsContact O-NE2 3.08Å; S418-Q499 PolarHBondContact OG-NE2 2.88Å
419L86.2Confident83.9Confident7 Ų723.5 Ų23.54%0.03712%0.124CC..Hα-helixtrans-70.5-39-177.2-68167.1000111.8N415 N416 L417 H422 R423 I1053 I1054 N1058N415-L419 VanDerWaalsContact O-CG 3.31Å; N415-L419 WeakPolarHBondContact O-CG 3.18Å; N415-L419 PolarHBondContact O-N 3.47Å; N416-L419 PolarHBondContact O-N 2.87Å; L417-L419 VanDerWaalsContact C-N 3.28Å; L417-L419 PolarHBondContact O-N 2.89Å; L419-H422 WeakPolarHBondContact O-CB 3.36Å; L419-H422 PolarHBondContact O-N 3.3Å; L419-R423 WeakPolarHBondContact O-CG 3.03Å; L419-R423 PolarHBondContact O-N 2.98Å; L419-I1053 HydrophobicContact CD1-CG2 4.16Å; L419-I1054 HydrophobicContact CB-CB 4.36Å; L419-I1054 HydrophobicContact CB-CG2 4.13Å; L419-I1054 WeakPolarHBondContact CD1-O 3.46Å; L419-N1058 WeakPolarHBondContact CB-ND2 3.37Å; L419-N1058 PolarHBondContact O-ND2 3.15Å; L419-N1058 VanDerWaalsContact O-ND2 3.09Å
420I84.3Confident84.4Confident0 Ų022.7 Ų22.70%012%0.12CC..Hα-helixtrans-65.6-42.8172.1-58162.8000110.9F380 Y385 A388 I389 L392 N416 L417 H422 R423 T424 I1054F380-I420 HydrophobicContact CD2-CG1 3.89Å; F380-I420 HydrophobicContact CE2-CG1 4.47Å; Y385-I420 HydrophobicContact CD1-CG2 4.32Å; A388-I420 HydrophobicContact CB-CD1 3.87Å; I389-I420 HydrophobicContact CD1-CG2 3.89Å; I389-I420 HydrophobicContact CG1-CB 4.38Å; I389-I420 HydrophobicContact CG1-CD1 4.25Å; I389-I420 HydrophobicContact CG1-CG2 3.74Å; L392-I420 HydrophobicContact CD1-CD1 3.49Å; L392-I420 VanDerWaalsContact CD1-CD1 3.49Å; N416-I420 WeakPolarHBondContact O-CG1 3.23Å; N416-I420 PolarHBondContact O-N 2.79Å; L417-I420 PolarHBondContact O-N 3Å; I420-H422 VanDerWaalsContact C-N 3.29Å; I420-H422 PolarHBondContact O-N 3.48Å; I420-R423 PolarHBondContact O-N 3.44Å; I420-T424 HydrophobicContact CG2-CG2 4.37Å; I420-T424 WeakPolarHBondContact O-CG2 3.21Å; I420-T424 PolarHBondContact O-N 3.18Å; I420-T424 PolarHBondContact O-OG1 3.11Å; I420-T424 VanDerWaalsContact O-OG1 3.07Å; I420-I1054 HydrophobicContact CD1-CD1 3.54Å; I420-I1054 HydrophobicContact CG1-CD1 3.35Å
421Y86.1Confident84.6Confident35 Ų3522.3 Ų22.314%0.13712%0.116CC..Hα-helixtrans-63.3-36.5177.2-74.6-46.6000112.4I389 L417 S418 T424 G425 R426 Q433I389-Y421 HydrophobicContact CD1-CD1 4.41Å; I389-Y421 HydrophobicContact CD1-CE1 3.94Å; L417-Y421 HydrophobicContact CB-CD2 4.45Å; L417-Y421 HydrophobicContact CB-CE2 4.25Å; L417-Y421 WeakPolarHBondContact O-CB 3.31Å; L417-Y421 WeakPolarHBondContact O-CD2 3.5Å; L417-Y421 PolarHBondContact O-N 2.69Å; S418-Y421 PolarHBondContact O-N 2.89Å; Y421-T424 WeakPolarHBondContact CA-OG1 3.5Å; Y421-T424 PolarHBondContact O-OG1 3.42Å; Y421-T424 VanDerWaalsContact O-OG1 3.08Å; Y421-G425 PolarHBondContact O-N 3.15Å; Y421-R426 HydrophobicContact CD1-CB 4.23Å; Y421-R426 CarbonylContact O-C 3.59Å; Y421-R426 VanDerWaalsContact O-CA 3.31Å; Y421-R426 WeakPolarHBondContact O-CA 3.36Å; Y421-R426 WeakPolarHBondContact O-CB 3.46Å; Y421-R426 PolarHBondContact O-N 2.81Å; Y421-Q433 HydrophobicContact CD2-CG 3.85Å; Y421-Q433 HydrophobicContact CE2-CG 3.79Å
422H81.4Confident85Confident15 Ų1526.4 Ų26.47%0.06914%0.137CC..Hα-helixtrans-56-52.5171.8-17073.4000111.2S418 L419 I420 T424 G425 Q499 F502S418-H422 PolarHBondContact O-N 3.39Å; L419-H422 WeakPolarHBondContact O-CB 3.36Å; L419-H422 PolarHBondContact O-N 3.3Å; I420-H422 VanDerWaalsContact C-N 3.29Å; I420-H422 PolarHBondContact O-N 3.48Å; H422-T424 VanDerWaalsContact C-N 3.32Å; H422-T424 PolarHBondContact O-N 2.93Å; H422-G425 WeakPolarHBondContact O-CA 3.4Å; H422-G425 PolarHBondContact O-N 2.78Å; H422-Q499 PolarHBondContact ND1-OE1 3.11Å; H422-F502 AromaticContact CE1-CD1 3.97Å; H422-F502 AromaticContact CE1-CD2 3.81Å; H422-F502 AromaticContact CE1-CG 3.7Å
423R72.5Confident85.3Confident48 Ų4828.3 Ų28.318%0.18115%0.145CC..Hα-helixtrans-67.5-31.3-174.8-69.3-72.7-88.4173.23.4114.1F380 Y385 L419 I420 G425 N1058 D1061F380-R423 HydrophobicContact CE2-CB 4.03Å; F380-R423 HydrophobicContact CE2-CG 3.83Å; F380-R423 HydrophobicContact CZ-CB 4.41Å; F380-R423 HydrophobicContact CZ-CG 3.8Å; Y385-R423 HydrophobicContact CE1-CB 4.4Å; L419-R423 WeakPolarHBondContact O-CG 3.03Å; L419-R423 PolarHBondContact O-N 2.98Å; I420-R423 PolarHBondContact O-N 3.44Å; R423-G425 PolarHBondContact O-N 3.47Å; R423-N1058 WeakPolarHBondContact CD-OD1 3.28Å; R423-N1058 HydrophobicContact CG-CB 3.91Å; R423-N1058 VanDerWaalsContact CG-ND2 3.34Å; R423-N1058 WeakPolarHBondContact CG-ND2 3.44Å; R423-N1058 WeakPolarHBondContact CG-OD1 3.44Å; R423-N1058 PolarHBondContact NE-OD1 3.29Å; R423-N1058 PolarHBondContact NH1-O 3.09Å; R423-N1058 VanDerWaalsContact NH1-O 3.15Å; R423-D1061 VanDerWaalsContact CD-OD2 3.24Å; R423-D1061 WeakPolarHBondContact CD-OD2 3.29Å; R423-D1061 IonicContact CZ-OD1 2.72Å; R423-D1061 IonicContact CZ-OD2 3.19Å; R423-D1061 IonicContact NE-OD2 2.58Å; R423-D1061 IonicContact NH1-OD1 2.85Å; R423-D1061 PolarHBondContact NH1-OD1 3.32Å; R423-D1061 IonicContact NH1-OD2 2.98Å; R423-D1061 PolarHBondContact NH1-OD2 3.41Å
424T79.7Confident85.4Confident31 Ų3126.7 Ų26.719%0.1914%0.137CC..THydrogen-bonded Turntrans-77.53.5171.5570000113Y385 I420 Y421 H422 R426Y385-T424 HydrophobicContact CD2-CG2 3.87Å; Y385-T424 HydrophobicContact CG-CG2 3.75Å; I420-T424 HydrophobicContact CG2-CG2 4.37Å; I420-T424 WeakPolarHBondContact O-CG2 3.21Å; I420-T424 PolarHBondContact O-N 3.18Å; I420-T424 PolarHBondContact O-OG1 3.11Å; I420-T424 VanDerWaalsContact O-OG1 3.07Å; Y421-T424 WeakPolarHBondContact CA-OG1 3.5Å; Y421-T424 PolarHBondContact O-OG1 3.42Å; Y421-T424 VanDerWaalsContact O-OG1 3.08Å; H422-T424 VanDerWaalsContact C-N 3.32Å; H422-T424 PolarHBondContact O-N 2.93Å; T424-R426 VanDerWaalsContact C-N 3.26Å; T424-R426 PolarHBondContact O-N 2.99Å
425G71.9Confident85.4Confident6 Ų629.9 Ų29.96%0.06215%0.148CC..THydrogen-bonded Turntrans79.70.4-179.500000114.8Y421 H422 R423 C427 R811Y421-G425 PolarHBondContact O-N 3.15Å; H422-G425 WeakPolarHBondContact O-CA 3.4Å; H422-G425 PolarHBondContact O-N 2.78Å; R423-G425 PolarHBondContact O-N 3.47Å; G425-C427 PolarHBondContact O-N 3.49Å; G425-C427 VanDerWaalsContact O-N 3.07Å; G425-R811 PolarHBondContact O-NH2 2.95Å
426R81.1Confident85.4Confident69 Ų6933.9 Ų33.926%0.2617%0.167SC..  trans-85.256.9-179.5-56.3-179.2-171.8-158.2-1.3111.3Y421 T424 T428 S429 G430 S805Y421-R426 HydrophobicContact CD1-CB 4.23Å; Y421-R426 CarbonylContact O-C 3.59Å; Y421-R426 VanDerWaalsContact O-CA 3.31Å; Y421-R426 WeakPolarHBondContact O-CA 3.36Å; Y421-R426 WeakPolarHBondContact O-CB 3.46Å; Y421-R426 PolarHBondContact O-N 2.81Å; T424-R426 VanDerWaalsContact C-N 3.26Å; T424-R426 PolarHBondContact O-N 2.99Å; R426-T428 VanDerWaalsContact C-N 3.25Å; R426-T428 PolarHBondContact O-N 3.08Å; R426-S429 PolarHBondContact O-N 3.45Å; R426-S429 VanDerWaalsContact O-N 3.15Å; R426-G430 PolarHBondContact O-N 2.95Å; R426-S805 PolarHBondContact NH2-OG 2.89Å
427C81.7Confident85.3Confident10 Ų1033.9 Ų33.97%0.06817%0.167CC..Hα-helixtrans-61.9-30-172.7-58.40000113.1G425 G430 L431 Q499 F502 T503G425-C427 PolarHBondContact O-N 3.49Å; G425-C427 VanDerWaalsContact O-N 3.07Å; C427-G430 PolarHBondContact O-N 3.09Å; C427-L431 WeakPolarHBondContact O-CB 3.26Å; C427-L431 PolarHBondContact O-N 3.4Å; C427-Q499 PolarHBondContact O-OE1 3.09Å; C427-F502 HydrophobicContact CB-CB 4.13Å; C427-T503 HydrophobicContact CB-CG2 3.88Å
428T85.2Confident85Confident94 Ų9433.9 Ų33.958%0.57717%0.167SC*.Hα-helixtrans-67.3-44175.6510000112.3R426 G430 L431 I432 T503R426-T428 VanDerWaalsContact C-N 3.25Å; R426-T428 PolarHBondContact O-N 3.08Å; T428-G430 VanDerWaalsContact C-N 3.31Å; T428-L431 WeakPolarHBondContact O-CB 3.39Å; T428-L431 PolarHBondContact O-N 3.36Å; T428-I432 WeakPolarHBondContact O-CG1 3.22Å; T428-I432 PolarHBondContact O-N 3.21Å; T428-I432 VanDerWaalsContact O-N 3.12Å; T428-T503 HydrophobicContact CG2-CG2 4.05Å
429S88.2Confident84.8Confident44 Ų4439.7 Ų39.731%0.30819%0.192SC..Hα-helixtrans-63.1-41171.4-56.80000110.8R426 L431 I432 Q433R426-S429 PolarHBondContact O-N 3.45Å; R426-S429 VanDerWaalsContact O-N 3.15Å; S429-L431 VanDerWaalsContact C-N 3.34Å; S429-L431 PolarHBondContact O-N 3Å; S429-I432 PolarHBondContact O-N 3.04Å; S429-Q433 WeakPolarHBondContact O-CG 3.31Å; S429-Q433 PolarHBondContact O-N 3.08Å; S429-Q433 VanDerWaalsContact O-N 3.13Å
430G87.6Confident84.6Confident0 Ų040.8 Ų40.80%020%0.197CC..Hα-helixtrans-56.6-46.1173.700000112.6S418 R426 C427 T428 I432 Q433 I434S418-G430 WeakPolarHBondContact CB-O 3.44Å; S418-G430 VanDerWaalsContact OG-C 3.31Å; S418-G430 PolarHBondContact OG-O 3.38Å; R426-G430 PolarHBondContact O-N 2.95Å; C427-G430 PolarHBondContact O-N 3.09Å; T428-G430 VanDerWaalsContact C-N 3.31Å; G430-I432 PolarHBondContact O-N 3.18Å; G430-Q433 PolarHBondContact O-N 3.28Å; G430-I434 PolarHBondContact O-N 2.87Å; G430-I434 VanDerWaalsContact O-N 3.09Å
431L88.6Confident84.3Confident12 Ų1241 Ų416%0.06320%0.198CC..Hα-helixtrans-61-40.6177.2-177.664.1000112.5C427 T428 S429 I434 R435 Y496 Q499 L500 T503C427-L431 WeakPolarHBondContact O-CB 3.26Å; C427-L431 PolarHBondContact O-N 3.4Å; T428-L431 WeakPolarHBondContact O-CB 3.39Å; T428-L431 PolarHBondContact O-N 3.36Å; S429-L431 VanDerWaalsContact C-N 3.34Å; S429-L431 PolarHBondContact O-N 3Å; L431-I434 HydrophobicContact CD1-CG2 4.38Å; L431-I434 VanDerWaalsContact O-CG2 3.28Å; L431-I434 WeakPolarHBondContact O-CG2 3.42Å; L431-R435 HydrophobicContact CD1-CG 4.45Å; L431-R435 WeakPolarHBondContact O-CB 3.43Å; L431-R435 WeakPolarHBondContact O-CG 3.46Å; L431-R435 PolarHBondContact O-N 3.12Å; L431-R435 VanDerWaalsContact O-N 3.12Å; L431-Y496 HydrophobicContact CD1-CD2 3.87Å; L431-Y496 HydrophobicContact CD1-CE2 3.56Å; L431-Q499 HydrophobicContact CB-CB 4.15Å; L431-Q499 HydrophobicContact CD1-CB 3.85Å; L431-L500 HydrophobicContact CD1-CD2 3.93Å; L431-L500 HydrophobicContact CD1-CG 4.18Å; L431-L500 HydrophobicContact CD2-CD2 4.42Å; L431-T503 HydrophobicContact CB-CG2 4.22Å; L431-T503 HydrophobicContact CD2-CG2 4.12Å
432I91.9Very high83.9Confident94 Ų9440 Ų4048%0.48220%0.195SC..Hα-helixtrans-62.6-47.7177.3-67.7165.9000110T428 S429 G430 R435 H436T428-I432 WeakPolarHBondContact O-CG1 3.22Å; T428-I432 PolarHBondContact O-N 3.21Å; T428-I432 VanDerWaalsContact O-N 3.12Å; S429-I432 PolarHBondContact O-N 3.04Å; G430-I432 PolarHBondContact O-N 3.18Å; I432-R435 PolarHBondContact O-N 3.43Å; I432-H436 PolarHBondContact O-CD2 3.41Å; I432-H436 VanDerWaalsContact O-CD2 3.22Å; I432-H436 PolarHBondContact O-N 3.41Å
433Q90.9Very high83.7Confident47 Ų4745 Ų4522%0.2222%0.216CC..Hα-helixtrans-63.9-45.3-177.3-64.6-58.6-20.600112.8K414 L417 Y421 S429 G430 R435 H436 A437K414-Q433 WeakPolarHBondContact O-CB 3.3Å; L417-Q433 HydrophobicContact CB-CB 4.47Å; L417-Q433 HydrophobicContact CB-CG 4.15Å; Y421-Q433 HydrophobicContact CD2-CG 3.85Å; Y421-Q433 HydrophobicContact CE2-CG 3.79Å; S429-Q433 WeakPolarHBondContact O-CG 3.31Å; S429-Q433 PolarHBondContact O-N 3.08Å; S429-Q433 VanDerWaalsContact O-N 3.13Å; G430-Q433 PolarHBondContact O-N 3.28Å; Q433-R435 VanDerWaalsContact C-N 3.3Å; Q433-R435 PolarHBondContact O-N 2.88Å; Q433-H436 WeakPolarHBondContact O-CB 3.42Å; Q433-H436 PolarHBondContact O-N 3.35Å; Q433-H436 VanDerWaalsContact O-N 3.09Å; Q433-A437 PolarHBondContact O-N 2.94Å
434I89.2Confident83.9Confident0 Ų043 Ų430%021%0.21CC..Hα-helixtrans-65.7-34.3177.6-166.769000111.9N415 G430 L431 H436 A437 L438 L492 N495 Y496 Q499N415-I434 HydrophobicContact CB-CD1 4.45Å; N415-I434 WeakPolarHBondContact OD1-CD1 3.43Å; G430-I434 PolarHBondContact O-N 2.87Å; G430-I434 VanDerWaalsContact O-N 3.09Å; L431-I434 HydrophobicContact CD1-CG2 4.38Å; L431-I434 VanDerWaalsContact O-CG2 3.28Å; L431-I434 WeakPolarHBondContact O-CG2 3.42Å; I434-H436 VanDerWaalsContact C-N 3.3Å; I434-H436 PolarHBondContact O-N 2.88Å; I434-A437 HydrophobicContact CD1-CB 4.42Å; I434-A437 WeakPolarHBondContact O-CB 3.38Å; I434-A437 PolarHBondContact O-N 2.92Å; I434-A437 VanDerWaalsContact O-N 3.12Å; I434-L438 PolarHBondContact O-N 2.96Å; I434-L492 HydrophobicContact CD1-CB 4.47Å; I434-L492 HydrophobicContact CD1-CD2 3.69Å; I434-N495 HydrophobicContact CD1-CB 4.21Å; I434-Y496 HydrophobicContact CG2-CD2 3.79Å; I434-Q499 HydrophobicContact CG2-CB 4.39Å; I434-Q499 HydrophobicContact CG2-CG 4.08Å
435R89.7Confident83.6Confident99 Ų9941.6 Ų41.637%0.37420%0.201SC..Hα-helixtrans-64-36.4172.9-75.3172.870.498.3-2.7111.7L431 I432 Q433 A437 K439 Y496L431-R435 HydrophobicContact CD1-CG 4.45Å; L431-R435 WeakPolarHBondContact O-CB 3.43Å; L431-R435 WeakPolarHBondContact O-CG 3.46Å; L431-R435 PolarHBondContact O-N 3.12Å; L431-R435 VanDerWaalsContact O-N 3.12Å; I432-R435 PolarHBondContact O-N 3.43Å; Q433-R435 VanDerWaalsContact C-N 3.3Å; Q433-R435 PolarHBondContact O-N 2.88Å; R435-A437 VanDerWaalsContact C-N 3.34Å; R435-K439 WeakPolarHBondContact O-CB 3.4Å; R435-K439 VanDerWaalsContact O-CG 3.26Å; R435-K439 WeakPolarHBondContact O-CG 3.19Å; R435-K439 PolarHBondContact O-N 3.38Å; R435-Y496 HydrophobicContact CG-CD2 4.28Å; R435-Y496 HydrophobicContact CG-CE2 3.61Å; R435-Y496 PolarHBondContact NH1-OH 3.26Å
436H88.6Confident83.7Confident88 Ų8846.9 Ų46.941%0.40722%0.219SC..Hα-helixtrans-67.7-34172.5-82.9-81.1000112.5K414 I432 Q433 I434 Q440K414-H436 HydrophobicContact CD-CB 3.76Å; K414-H436 HydrophobicContact CG-CB 4.42Å; I432-H436 PolarHBondContact O-CD2 3.41Å; I432-H436 VanDerWaalsContact O-CD2 3.22Å; I432-H436 PolarHBondContact O-N 3.41Å; Q433-H436 WeakPolarHBondContact O-CB 3.42Å; Q433-H436 PolarHBondContact O-N 3.35Å; Q433-H436 VanDerWaalsContact O-N 3.09Å; I434-H436 VanDerWaalsContact C-N 3.3Å; I434-H436 PolarHBondContact O-N 2.88Å; H436-Q440 WeakPolarHBondContact O-CB 3.35Å; H436-Q440 PolarHBondContact O-N 2.99Å; H436-Q440 VanDerWaalsContact O-N 3.13Å
437A85.9Confident83.4Confident0 Ų046.3 Ų46.30%022%0.223CC..Hα-helixtrans-64.7-50.1174.600000110.9V411 K414 Q433 I434 R435 K439 Q440 I441V411-A437 HydrophobicContact CG1-CB 4.41Å; K414-A437 HydrophobicContact CB-CB 3.85Å; Q433-A437 PolarHBondContact O-N 2.94Å; I434-A437 HydrophobicContact CD1-CB 4.42Å; I434-A437 WeakPolarHBondContact O-CB 3.38Å; I434-A437 PolarHBondContact O-N 2.92Å; I434-A437 VanDerWaalsContact O-N 3.12Å; R435-A437 VanDerWaalsContact C-N 3.34Å; A437-K439 PolarHBondContact O-N 3.19Å; A437-Q440 WeakPolarHBondContact O-CB 3.15Å; A437-Q440 PolarHBondContact O-N 3.41Å; A437-Q440 VanDerWaalsContact O-N 3.14Å; A437-I441 PolarHBondContact O-N 3.08Å; A437-I441 VanDerWaalsContact O-N 3.08Å
438L85.4Confident82.9Confident12 Ų1246.9 Ų46.96%0.06323%0.229CC..Hα-helixtrans-60.7-46.1177.8-68.9173.3000112.3I434 Q440 I441 D442 L492 Y496I434-L438 PolarHBondContact O-N 2.96Å; L438-Q440 PolarHBondContact O-N 3.06Å; L438-I441 WeakPolarHBondContact O-CB 3.44Å; L438-I441 PolarHBondContact O-N 3.07Å; L438-I441 VanDerWaalsContact O-N 3.16Å; L438-D442 PolarHBondContact O-N 2.71Å; L438-L492 HydrophobicContact CD2-CB 3.98Å; L438-Y496 HydrophobicContact CD1-CD1 4.03Å; L438-Y496 HydrophobicContact CD1-CD2 4.07Å; L438-Y496 HydrophobicContact CD1-CG 3.76Å
439K85Confident82.2Confident123 Ų12342.9 Ų42.954%0.53520%0.204SC..Hα-helixtrans-59.3-34.5175.7-76.9178.1177.8-173.10112.9R435 A437 K443R435-K439 WeakPolarHBondContact O-CB 3.4Å; R435-K439 VanDerWaalsContact O-CG 3.26Å; R435-K439 WeakPolarHBondContact O-CG 3.19Å; R435-K439 PolarHBondContact O-N 3.38Å; A437-K439 PolarHBondContact O-N 3.19Å; K439-K443 PolarHBondContact O-N 3.41Å; K439-K443 VanDerWaalsContact O-N 3.11Å
440Q81.9Confident80.9Confident30 Ų3047.5 Ų47.514%0.1422%0.221CC..Hα-helixtrans-68-45.6177.1-166.870.520.900110.4D407 V411 H436 A437 L438 D442 K443 T444D407-Q440 HydrophobicContact CB-CG 4.49Å; D407-Q440 PolarHBondContact OD1-NE2 3.39Å; V411-Q440 HydrophobicContact CG2-CB 3.84Å; V411-Q440 HydrophobicContact CG2-CG 3.94Å; H436-Q440 WeakPolarHBondContact O-CB 3.35Å; H436-Q440 PolarHBondContact O-N 2.99Å; H436-Q440 VanDerWaalsContact O-N 3.13Å; A437-Q440 WeakPolarHBondContact O-CB 3.15Å; A437-Q440 PolarHBondContact O-N 3.41Å; A437-Q440 VanDerWaalsContact O-N 3.14Å; L438-Q440 PolarHBondContact O-N 3.06Å; Q440-D442 VanDerWaalsContact C-N 3.33Å; Q440-D442 PolarHBondContact O-N 3.16Å; Q440-K443 WeakPolarHBondContact O-CA 3.41Å; Q440-K443 WeakPolarHBondContact O-CB 3.1Å; Q440-K443 PolarHBondContact O-N 2.67Å; Q440-K443 VanDerWaalsContact O-N 3.1Å; Q440-T444 PolarHBondContact O-N 3Å; Q440-T444 PolarHBondContact O-OG1 2.94Å
441I77.7Confident79.1Confident3 Ų350.8 Ų50.82%0.01524%0.244CC..Hα-helixtrans-56.4-48.5174.7-70.4174.4000110.7V411 A437 L438 K443 T444 I445 L487 L492V411-I441 HydrophobicContact CG1-CD1 3.84Å; V411-I441 HydrophobicContact CG1-CG1 4Å; V411-I441 HydrophobicContact CG2-CD1 4.46Å; V411-I441 HydrophobicContact CG2-CG1 3.72Å; A437-I441 PolarHBondContact O-N 3.08Å; A437-I441 VanDerWaalsContact O-N 3.08Å; L438-I441 WeakPolarHBondContact O-CB 3.44Å; L438-I441 PolarHBondContact O-N 3.07Å; L438-I441 VanDerWaalsContact O-N 3.16Å; I441-K443 PolarHBondContact O-N 2.92Å; I441-T444 PolarHBondContact O-N 3.11Å; I441-I445 HydrophobicContact CG2-CD1 3.58Å; I441-I445 HydrophobicContact CG2-CG1 4.18Å; I441-I445 WeakPolarHBondContact O-CG1 2.93Å; I441-I445 PolarHBondContact O-N 2.89Å; I441-L487 HydrophobicContact CG2-CD2 4.21Å; I441-L492 HydrophobicContact CD1-CD1 3.15Å
442D76.8Confident77.2Confident15 Ų1560.1 Ų60.18%0.0829%0.287CS..Hα-helixtrans-59.8-36.9179.5-60.3-20.3000111.8L438 Q440 R446 L460 H462L438-D442 PolarHBondContact O-N 2.71Å; Q440-D442 VanDerWaalsContact C-N 3.33Å; Q440-D442 PolarHBondContact O-N 3.16Å; D442-R446 WeakPolarHBondContact O-CB 3.36Å; D442-R446 VanDerWaalsContact O-CG 3.32Å; D442-R446 WeakPolarHBondContact O-CG 3.38Å; D442-R446 PolarHBondContact O-N 3.11Å; D442-R446 PolarHBondContact O-NE 3.12Å; D442-R446 IonicContact OD2-NH2 3.81Å; D442-L460 HydrophobicContact CB-CD2 4.31Å; D442-H462 IonicContact OD1-CD2 3.21Å; D442-H462 IonicContact OD1-NE2 3.8Å; D442-H462 IonicContact OD2-CD2 2.81Å
443K78.6Confident75.1Confident119 Ų11964.4 Ų64.452%0.51731%0.305SS..Hα-helixtrans-66.1-43.5175.1-176.5-172.9175.9-172.40111.2K439 Q440 I441 R446 T447K439-K443 PolarHBondContact O-N 3.41Å; K439-K443 VanDerWaalsContact O-N 3.11Å; Q440-K443 WeakPolarHBondContact O-CA 3.41Å; Q440-K443 WeakPolarHBondContact O-CB 3.1Å; Q440-K443 PolarHBondContact O-N 2.67Å; Q440-K443 VanDerWaalsContact O-N 3.1Å; I441-K443 PolarHBondContact O-N 2.92Å; K443-R446 PolarHBondContact O-N 3.33Å; K443-T447 WeakPolarHBondContact O-CB 2.89Å; K443-T447 PolarHBondContact O-N 3.41Å; K443-T447 PolarHBondContact O-OG1 3.42Å
444T76Confident73.2Confident7 Ų768 Ų684%0.04332%0.32CS..Hα-helixtrans-66.3-42.8179.1-52.20000111.2D407 Q440 I441 T447 A448 L486D407-T444 HydrophobicContact CB-CG2 4.33Å; D407-T444 WeakPolarHBondContact CB-OG1 3.2Å; D407-T444 PolarHBondContact OD2-OG1 3.06Å; Q440-T444 PolarHBondContact O-N 3Å; Q440-T444 PolarHBondContact O-OG1 2.94Å; I441-T444 PolarHBondContact O-N 3.11Å; T444-T447 PolarHBondContact O-N 3.35Å; T444-A448 WeakPolarHBondContact O-CB 2.71Å; T444-A448 PolarHBondContact O-N 2.84Å; T444-L486 HydrophobicContact CG2-CD1 3.49Å; T444-L486 VanDerWaalsContact CG2-CD1 3.49Å
445I74.3Confident71.3Confident2 Ų274.4 Ų74.41%0.0135%0.354CS..Hα-helixtrans-61-48.4174-64.3166.5000110.5I441 T447 A448 V449 V456 L460 I479 V483 L487I441-I445 HydrophobicContact CG2-CD1 3.58Å; I441-I445 HydrophobicContact CG2-CG1 4.18Å; I441-I445 WeakPolarHBondContact O-CG1 2.93Å; I441-I445 PolarHBondContact O-N 2.89Å; I445-T447 VanDerWaalsContact C-N 3.3Å; I445-T447 PolarHBondContact O-N 3.24Å; I445-A448 PolarHBondContact O-N 3.1Å; I445-A448 VanDerWaalsContact O-N 3.11Å; I445-V449 HydrophobicContact CG2-CG2 4.04Å; I445-V449 WeakPolarHBondContact O-CG2 3.41Å; I445-V449 PolarHBondContact O-N 3.16Å; I445-V456 HydrophobicContact CG2-CG1 4.44Å; I445-L460 HydrophobicContact CB-CD2 4.46Å; I445-L460 HydrophobicContact CD1-CD2 3.87Å; I445-L460 HydrophobicContact CG2-CD1 4.17Å; I445-L460 HydrophobicContact CG2-CD2 4.32Å; I445-I479 HydrophobicContact CG2-CG2 4.4Å; I445-V483 HydrophobicContact CG1-CG1 3.76Å; I445-L487 HydrophobicContact CD1-CD2 3.84Å
446R73.7Confident69.6Low117 Ų11770.2 Ų70.244%0.44234%0.34SS..Hα-helixtrans-59.3-40.1178.5-80.8-175.2-86-102.84.9112.8D442 K443 L460D442-R446 WeakPolarHBondContact O-CB 3.36Å; D442-R446 VanDerWaalsContact O-CG 3.32Å; D442-R446 WeakPolarHBondContact O-CG 3.38Å; D442-R446 PolarHBondContact O-N 3.11Å; D442-R446 PolarHBondContact O-NE 3.12Å; D442-R446 IonicContact OD2-NH2 3.81Å; K443-R446 PolarHBondContact O-N 3.33Å; R446-L460 HydrophobicContact CG-CD1 3.58Å
447T75.3Confident67.7Low57 Ų5769.2 Ų69.235%0.3534%0.342SS..Hα-helixtrans-66.6-39.3175.9-520000111.2K443 T444 I445K443-T447 WeakPolarHBondContact O-CB 2.89Å; K443-T447 PolarHBondContact O-N 3.41Å; K443-T447 PolarHBondContact O-OG1 3.42Å; T444-T447 PolarHBondContact O-N 3.35Å; I445-T447 VanDerWaalsContact C-N 3.3Å; I445-T447 PolarHBondContact O-N 3.24Å
448A70.8Confident65.9Low21 Ų2175.9 Ų75.917%0.17437%0.369CS..Hα-helixtrans-73.4-34.7-17800000113.9T444 I445 Q450 P480 V483T444-A448 WeakPolarHBondContact O-CB 2.71Å; T444-A448 PolarHBondContact O-N 2.84Å; I445-A448 PolarHBondContact O-N 3.1Å; I445-A448 VanDerWaalsContact O-N 3.11Å; A448-Q450 VanDerWaalsContact C-N 3.3Å; A448-Q450 PolarHBondContact O-N 2.97Å; A448-P480 HydrophobicContact CB-CG 4.11Å; A448-V483 HydrophobicContact CB-CG2 3.7Å
449V70.5Confident64.1Low11 Ų1176.5 Ų76.57%0.06737%0.372CS..THydrogen-bonded Turntrans-86.918.9-177-170.20000113.2I445 S451 V456 I479I445-V449 HydrophobicContact CG2-CG2 4.04Å; I445-V449 WeakPolarHBondContact O-CG2 3.41Å; I445-V449 PolarHBondContact O-N 3.16Å; V449-S451 PolarHBondContact O-N 3.08Å; V449-S451 PolarHBondContact O-OG 3.04Å; V449-V456 HydrophobicContact CB-CG2 4.12Å; V449-V456 HydrophobicContact CG1-CG2 3.43Å; V449-V456 VanDerWaalsContact CG1-CG2 3.43Å; V449-V456 HydrophobicContact CG2-CG2 4.49Å; V449-I479 HydrophobicContact CG2-CG2 3.66Å
450Q59.8Low62.4Low140 Ų14070.9 Ų70.965%0.65435%0.348SS*.  trans-66.945174.7-67.3-176.3-4.600114.5A448A448-Q450 VanDerWaalsContact C-N 3.3Å; A448-Q450 PolarHBondContact O-N 2.97Å
451S51.5Low60.6Low70 Ų7073.9 Ų73.949%0.4937%0.365SS..  trans-72.2120.4145.558.50000107.9V449 E453V449-S451 PolarHBondContact O-N 3.08Å; V449-S451 PolarHBondContact O-OG 3.04Å; S451-E453 PolarHBondContact O-N 3.26Å
452E48.6Very low59.1Low207 Ų20776.5 Ų76.597%0.96738%0.377SS*.THydrogen-bonded Turntrans-58.6-4.2-174.8-66.8179.9151.100115.4
453E46.9Very low57.4Low185 Ų18584 Ų8486%0.86441%0.412SS*.THydrogen-bonded Turntrans-106.9-1.9-169.4-73.1-169.3151.200117S451S451-E453 PolarHBondContact O-N 3.26Å
454K50.5Low55.4Low123 Ų12385 Ų8554%0.53542%0.423SS..  trans-136110.2-179.2-66.4-174.9-178.3179.80113.3V456K454-V456 PolarHBondContact O-N 3.13Å
455N49Very low53.5Low134 Ų13487.6 Ų87.672%0.71745%0.45SS*.  trans-65.386.8173-81.4-38.2000111.2S457 Y458N455-S457 PolarHBondContact O-N 3.14Å; N455-S457 VanDerWaalsContact O-N 3.07Å; N455-Y458 WeakPolarHBondContact O-CD1 3.48Å; N455-Y458 WeakPolarHBondContact O-CE1 3.15Å
456V54.5Low51.9Low11 Ų1189 Ų897%0.06746%0.459CS..G310 helixtrans-680.1174.41780000112.9I445 V449 K454 Y458 L459 L460 L475I445-V456 HydrophobicContact CG2-CG1 4.44Å; V449-V456 HydrophobicContact CB-CG2 4.12Å; V449-V456 HydrophobicContact CG1-CG2 3.43Å; V449-V456 VanDerWaalsContact CG1-CG2 3.43Å; V449-V456 HydrophobicContact CG2-CG2 4.49Å; K454-V456 PolarHBondContact O-N 3.13Å; V456-Y458 VanDerWaalsContact C-N 3.27Å; V456-Y458 PolarHBondContact O-N 2.99Å; V456-L459 HydrophobicContact CG1-CB 4.14Å; V456-L459 HydrophobicContact CG1-CD1 4.15Å; V456-L459 WeakPolarHBondContact O-CB 3.46Å; V456-L459 PolarHBondContact O-N 3.02Å; V456-L460 HydrophobicContact CG1-CD1 3.81Å; V456-L460 HydrophobicContact CG1-CG 4.15Å; V456-L475 HydrophobicContact CG1-CD1 4.08Å
457S48.6Very low50.1Low66 Ų6688.6 Ų88.646%0.46248%0.475SS..G310 helixtrans-58.6-30.7-177.22.20000114.4N455N455-S457 PolarHBondContact O-N 3.14Å; N455-S457 VanDerWaalsContact O-N 3.07Å
458Y49Very low48.4Very low140 Ų14087.9 Ų87.955%0.54947%0.472SS..G310 helixtrans-74.8-28.2177.164.9-86.2000112.8N455 V456 E471N455-Y458 WeakPolarHBondContact O-CD1 3.48Å; N455-Y458 WeakPolarHBondContact O-CE1 3.15Å; V456-Y458 VanDerWaalsContact C-N 3.27Å; V456-Y458 PolarHBondContact O-N 2.99Å; Y458-E471 WeakPolarHBondContact CE2-OE1 3.24Å
459L46.8Very low47.1Very low25 Ų2588.2 Ų88.213%0.13147%0.471CS..THydrogen-bonded Turntrans-75.1-26.5-178-60.5-177.7000113.6V456 E471 L475V456-L459 HydrophobicContact CG1-CB 4.14Å; V456-L459 HydrophobicContact CG1-CD1 4.15Å; V456-L459 WeakPolarHBondContact O-CB 3.46Å; V456-L459 PolarHBondContact O-N 3.02Å; L459-E471 HydrophobicContact CD2-CB 3.23Å; L459-E471 HydrophobicContact CD2-CG 3.62Å; L459-E471 WeakPolarHBondContact CD2-OE2 3.35Å; L459-L475 HydrophobicContact CD1-CD1 3.91Å
460L48.6Very low45.6Very low5 Ų593.1 Ų93.13%0.02650%0.501CS..THydrogen-bonded Turntrans-104.56.1-172.4-66.4166.1000113.6D442 I445 R446 V456 H462D442-L460 HydrophobicContact CB-CD2 4.31Å; I445-L460 HydrophobicContact CB-CD2 4.46Å; I445-L460 HydrophobicContact CD1-CD2 3.87Å; I445-L460 HydrophobicContact CG2-CD1 4.17Å; I445-L460 HydrophobicContact CG2-CD2 4.32Å; R446-L460 HydrophobicContact CG-CD1 3.58Å; V456-L460 HydrophobicContact CG1-CD1 3.81Å; V456-L460 HydrophobicContact CG1-CG 4.15Å; L460-H462 PolarHBondContact O-N 2.8Å
461N44.3Very low45.1Very low93 Ų9388.9 Ų88.950%0.49748%0.481SS..  trans-80.980.6-174.2-104.4-16000111.8Q463N461-Q463 PolarHBondContact O-N 2.97Å
462H47.1Very low45.2Very low59 Ų5986.5 Ų86.527%0.27346%0.461SS..THydrogen-bonded Turntrans-69.9-8.4173.6-68.5-62.4000114.5D442 L460 C466D442-H462 IonicContact OD1-CD2 3.21Å; D442-H462 IonicContact OD1-NE2 3.8Å; D442-H462 IonicContact OD2-CD2 2.81Å; L460-H462 PolarHBondContact O-N 2.8Å; H462-C466 PolarHBondContact ND1-SG 3.15Å
463Q40.4Very low45.4Very low173 Ų17380.8 Ų80.881%0.80844%0.444SS*.THydrogen-bonded Turntrans-79.2-28.8-175.6-69.4-171.42.500114.3N461N461-Q463 PolarHBondContact O-N 2.97Å
464N36.1Very low45.9Very low140 Ų14077.5 Ų77.575%0.74943%0.429SS*.SBendtrans-115.184.1-178.6-74.7-10.1000109.1C466N464-C466 PolarHBondContact O-N 3.35Å
465G36.8Very low46.4Very low60 Ų6071.8 Ų71.862%0.61940%0.404SS*.  trans44.465.1167.900000113.5S467G465-S467 VanDerWaalsContact C-N 3.34Å; G465-S467 WeakPolarHBondContact O-CB 3.4Å; G465-S467 PolarHBondContact O-N 3.43Å
466C40.2Very low47.1Very low31 Ų3168.1 Ų68.121%0.20938%0.382CS..  trans-21.484.5178.1-162.20000113.3H462 N464 Q515H462-C466 PolarHBondContact ND1-SG 3.15Å; N464-C466 PolarHBondContact O-N 3.35Å; C466-Q515 PolarHBondContact O-NE2 2.79Å
467S36.8Very low47.6Very low110 Ų11070.8 Ų70.877%0.76940%0.396SS*.  trans-102.3144.3-176.3-163.50000108.1G465G465-S467 VanDerWaalsContact C-N 3.34Å; G465-S467 WeakPolarHBondContact O-CB 3.4Å; G465-S467 PolarHBondContact O-N 3.43Å
468S40.5Very low48.5Very low42 Ų4270.4 Ų70.429%0.29439%0.387SS..  trans83.488.5172.8-177.10000117.7E471S468-E471 VanDerWaalsContact CB-OE2 3.26Å; S468-E471 WeakPolarHBondContact CB-OE2 3.48Å; S468-E471 PolarHBondContact OG-OE2 2.83Å
469L42Very low49.6Very low28 Ų2863.8 Ų63.815%0.14736%0.361CS..G310 helixtrans-75.7-14.4165.8-156.3125000112.7E471 Q515 R518 I519L469-E471 PolarHBondContact O-N 3.36Å; L469-Q515 HydrophobicContact CD1-CB 3.91Å; L469-Q515 VanDerWaalsContact CD1-O 3.25Å; L469-Q515 WeakPolarHBondContact CD1-O 3.45Å; L469-R518 VanDerWaalsContact CB-NH2 3.27Å; L469-I519 HydrophobicContact CD1-CD1 3.69Å; L469-I519 HydrophobicContact CD1-CG1 4.46Å; L469-I519 HydrophobicContact CD2-CD1 3.9Å; L469-I519 HydrophobicContact CD2-CG1 3.89Å; L469-I519 HydrophobicContact CG-CD1 4.24Å
470V39.5Very low50.9Low114 Ų11463.1 Ų63.169%0.69136%0.358SS*.G310 helixtrans-67-18.7-175.11780000111.4
471E49.8Very low52.1Low50 Ų5063.6 Ų63.623%0.23436%0.361CS..G310 helixtrans-94.4-13.2-173.2-69.3156.7156.700114.9Y458 L459 S468 L469 S473 E474 L475Y458-E471 WeakPolarHBondContact CE2-OE1 3.24Å; L459-E471 HydrophobicContact CD2-CB 3.23Å; L459-E471 HydrophobicContact CD2-CG 3.62Å; L459-E471 WeakPolarHBondContact CD2-OE2 3.35Å; S468-E471 VanDerWaalsContact CB-OE2 3.26Å; S468-E471 WeakPolarHBondContact CB-OE2 3.48Å; S468-E471 PolarHBondContact OG-OE2 2.83Å; L469-E471 PolarHBondContact O-N 3.36Å; E471-S473 PolarHBondContact O-N 2.87Å; E471-E474 PolarHBondContact O-N 3.39Å; E471-L475 PolarHBondContact O-N 3.26Å
472Y53.9Low53Low20 Ų2059.9 Ų59.98%0.07834%0.34CS..Hα-helixtrans-69.3-32.2178.7-77.6-85.8000112.6E474 L475 F476 H489Y472-E474 VanDerWaalsContact C-N 3.29Å; Y472-E474 PolarHBondContact O-N 3.42Å; Y472-L475 HydrophobicContact CD1-CD2 3.75Å; Y472-L475 HydrophobicContact CE1-CD2 4.01Å; Y472-L475 WeakPolarHBondContact O-CA 2.99Å; Y472-L475 VanDerWaalsContact O-CB 3.31Å; Y472-L475 WeakPolarHBondContact O-CB 3.31Å; Y472-L475 PolarHBondContact O-N 3.36Å; Y472-L475 VanDerWaalsContact O-N 3.11Å; Y472-F476 WeakPolarHBondContact O-CD2 3.44Å; Y472-F476 PolarHBondContact O-N 3.4Å; Y472-H489 AromaticContact CE1-CE1 3.79Å; Y472-H489 AromaticContact CE1-NE2 3.8Å; Y472-H489 AromaticContact CE2-CE1 3.7Å; Y472-H489 AromaticContact CZ-CE1 3.37Å; Y472-H489 AromaticContact CZ-NE2 3.4Å; Y472-H489 PolarHBondContact OH-CE1 3.13Å; Y472-H489 PolarHBondContact OH-NE2 3.4Å
473S53.1Low54Low87 Ų8757.1 Ų57.161%0.60833%0.328SS*.Hα-helixtrans-60-39.1172.7-63.10000112.2E471E471-S473 PolarHBondContact O-N 2.87Å
474E55.7Low55.3Low117 Ų11749.1 Ų49.155%0.54729%0.29SS..Hα-helixtrans-72.7-33.1173.5-64.7-172.6177.300111.9E471 Y472 N477 Q478E471-E474 PolarHBondContact O-N 3.39Å; Y472-E474 VanDerWaalsContact C-N 3.29Å; Y472-E474 PolarHBondContact O-N 3.42Å; E474-N477 PolarHBondContact O-N 2.89Å; E474-Q478 WeakPolarHBondContact O-CG 3.42Å
475L61.3Low56.6Low3 Ų344 Ų442%0.01627%0.266CS..Hα-helixtrans-63.4-41.1176-165.977.9000111.9V456 L459 E471 Y472 N477 Q478 I479V456-L475 HydrophobicContact CG1-CD1 4.08Å; L459-L475 HydrophobicContact CD1-CD1 3.91Å; E471-L475 PolarHBondContact O-N 3.26Å; Y472-L475 HydrophobicContact CD1-CD2 3.75Å; Y472-L475 HydrophobicContact CE1-CD2 4.01Å; Y472-L475 WeakPolarHBondContact O-CA 2.99Å; Y472-L475 VanDerWaalsContact O-CB 3.31Å; Y472-L475 WeakPolarHBondContact O-CB 3.31Å; Y472-L475 PolarHBondContact O-N 3.36Å; Y472-L475 VanDerWaalsContact O-N 3.11Å; L475-N477 PolarHBondContact O-N 2.95Å; L475-Q478 CarbonylContact O-C 3.54Å; L475-Q478 WeakPolarHBondContact O-CA 3.38Å; L475-Q478 PolarHBondContact O-N 3.03Å; L475-I479 HydrophobicContact CD1-CG2 4.14Å; L475-I479 HydrophobicContact CD2-CG2 4.43Å; L475-I479 HydrophobicContact CG-CG2 3.84Å; L475-I479 WeakPolarHBondContact O-CG1 3.44Å; L475-I479 PolarHBondContact O-N 2.89Å
476F64.2Low57.6Low56 Ų5641.6 Ų41.625%0.24624%0.239CC..Hα-helixtrans-57.4-31.9179.9-78.5-66.2000113.3Y472 I479 S484 L487Y472-F476 WeakPolarHBondContact O-CD2 3.44Å; Y472-F476 PolarHBondContact O-N 3.4Å; F476-I479 HydrophobicContact CD1-CD1 4.21Å; F476-S484 WeakPolarHBondContact CD1-OG 3.44Å; F476-S484 WeakPolarHBondContact CE1-OG 3.44Å; F476-L487 HydrophobicContact CD1-CD1 4.24Å; F476-L487 HydrophobicContact CE1-CB 4.39Å; F476-L487 HydrophobicContact CE1-CD1 3.64Å; F476-L487 HydrophobicContact CZ-CD1 4.04Å
477N65.8Low58.5Low68 Ų6840.3 Ų40.336%0.36423%0.23SC..Hα-helixtrans-78.5-20.6175.6-77.6-24.6000113.3Q61 E474 L475Q61-N477 PolarHBondContact N-O 3.4Å; E474-N477 PolarHBondContact O-N 2.89Å; L475-N477 PolarHBondContact O-N 2.95Å
478Q67.2Low59.7Low58 Ų5836.5 Ų36.527%0.27120%0.2SC..Hα-helixtrans-98.8-21.5-175.5-64.5178.330.700113.2E474 L475E474-Q478 WeakPolarHBondContact O-CG 3.42Å; L475-Q478 CarbonylContact O-C 3.54Å; L475-Q478 WeakPolarHBondContact O-CA 3.38Å; L475-Q478 PolarHBondContact O-N 3.03Å
479I72.1Confident61.1Low1 Ų134.9 Ų34.91%0.00519%0.188CC..SBendtrans-92.2150.6177.764-174.4000111.5I445 V449 L475 F476 V483 L487I445-I479 HydrophobicContact CG2-CG2 4.4Å; V449-I479 HydrophobicContact CG2-CG2 3.66Å; L475-I479 HydrophobicContact CD1-CG2 4.14Å; L475-I479 HydrophobicContact CD2-CG2 4.43Å; L475-I479 HydrophobicContact CG-CG2 3.84Å; L475-I479 WeakPolarHBondContact O-CG1 3.44Å; L475-I479 PolarHBondContact O-N 2.89Å; F476-I479 HydrophobicContact CD1-CD1 4.21Å; I479-V483 HydrophobicContact CB-CB 4.29Å; I479-V483 HydrophobicContact CB-CG1 4.36Å; I479-V483 HydrophobicContact CD1-CG1 4.39Å; I479-L487 HydrophobicContact CD1-CD1 3.42Å; I479-L487 VanDerWaalsContact CD1-CD1 3.42Å; I479-L487 HydrophobicContact CD1-CG 4.48Å
480P73.6Confident62.7Low11 Ų1135.6 Ų35.67%0.07119%0.189CC..  trans-57.2143.7166.9-25.235.5000112.2R58 A448 H482 V483 S484R58-P480 WeakPolarHBondContact O-CB 3.36Å; A448-P480 HydrophobicContact CB-CG 4.11Å; P480-H482 WeakPolarHBondContact CB-CE1 3.4Å; P480-H482 PolarHBondContact O-N 2.87Å; P480-H482 VanDerWaalsContact O-N 3.11Å; P480-V483 HydrophobicContact CB-CG2 4.17Å; P480-V483 HydrophobicContact CG-CG2 4.28Å; P480-V483 WeakPolarHBondContact O-CA 3.39Å; P480-V483 WeakPolarHBondContact O-CB 3.2Å; P480-V483 PolarHBondContact O-N 3.48Å; P480-S484 PolarHBondContact O-N 3.09Å; P480-S484 VanDerWaalsContact O-N 3.17Å
481L72.8Confident64.6Low15 Ų1532.1 Ų32.18%0.07917%0.165CC..Hα-helixtrans-52.8-34.7-177.6-166.666.3000114.7Y53 Y59 V131 Y134 S484 S485Y53-L481 WeakPolarHBondContact OH-CB 3.5Å; Y59-L481 PolarHBondContact O-N 3.36Å; V131-L481 HydrophobicContact CG1-CD1 4.46Å; V131-L481 HydrophobicContact CG2-CD2 4.47Å; Y134-L481 VanDerWaalsContact CB-CD1 3.42Å; Y134-L481 HydrophobicContact CD1-CG 4.35Å; Y134-L481 WeakPolarHBondContact CD1-O 3.34Å; Y134-L481 HydrophobicContact CD2-CD2 3.68Å; Y134-L481 HydrophobicContact CD2-CG 3.96Å; Y134-L481 HydrophobicContact CG-CD1 4.29Å; Y134-L481 HydrophobicContact CG-CD2 3.93Å; Y134-L481 HydrophobicContact CG-CG 3.67Å; L481-S484 WeakPolarHBondContact O-CB 3.46Å; L481-S484 PolarHBondContact O-N 3.3Å; L481-S485 PolarHBondContact O-N 2.9Å
482H63.8Low66.2Low15 Ų1530 Ų307%0.06916%0.155CC..Hα-helixtrans-73.3-28.8176.765.7-95000113.6P480 S484 S485 L486 W1043P480-H482 WeakPolarHBondContact CB-CE1 3.4Å; P480-H482 PolarHBondContact O-N 2.87Å; P480-H482 VanDerWaalsContact O-N 3.11Å; H482-S484 VanDerWaalsContact C-N 3.25Å; H482-S485 PolarHBondContact O-N 3.08Å; H482-S485 PolarHBondContact O-OG 3.46Å; H482-L486 PolarHBondContact O-N 3.37Å; H482-W1043 HydrophobicContact CB-CE3 3.93Å; H482-W1043 HydrophobicContact CB-CH2 3.16Å; H482-W1043 HydrophobicContact CB-CZ2 3.93Å; H482-W1043 HydrophobicContact CB-CZ3 3.12Å; H482-W1043 AromaticContact CD2-CH2 3.11Å; H482-W1043 WeakPolarHBondContact CD2-CH2 3.47Å; H482-W1043 AromaticContact CD2-CZ2 3.54Å; H482-W1043 AromaticContact CE1-CH2 3.86Å; H482-W1043 AromaticContact CE1-CZ2 3.45Å; H482-W1043 VanDerWaalsContact CE1-CZ2 3.45Å; H482-W1043 WeakPolarHBondContact CE1-CZ2 3.49Å; H482-W1043 AromaticContact CG-CH2 2.97Å; H482-W1043 AromaticContact CG-CZ2 3.35Å; H482-W1043 AromaticContact CG-CZ3 3.56Å; H482-W1043 AromaticContact ND1-CE2 3.97Å; H482-W1043 AromaticContact ND1-CH2 3.49Å; H482-W1043 WeakPolarHBondContact ND1-CH2 3.37Å; H482-W1043 AromaticContact ND1-CZ2 3.3Å; H482-W1043 VanDerWaalsContact ND1-CZ2 3.3Å; H482-W1043 WeakPolarHBondContact ND1-CZ2 3.35Å; H482-W1043 AromaticContact NE2-CH2 3.69Å; H482-W1043 AromaticContact NE2-CZ2 3.6Å
483V68.2Low67.7Low1 Ų129.3 Ų29.31%0.00615%0.153CC..Hα-helixtrans-70.5-32.1172.3-176.90000109.2I445 A448 I479 P480 S485 L486 L487I445-V483 HydrophobicContact CG1-CG1 3.76Å; A448-V483 HydrophobicContact CB-CG2 3.7Å; I479-V483 HydrophobicContact CB-CB 4.29Å; I479-V483 HydrophobicContact CB-CG1 4.36Å; I479-V483 HydrophobicContact CD1-CG1 4.39Å; P480-V483 HydrophobicContact CB-CG2 4.17Å; P480-V483 HydrophobicContact CG-CG2 4.28Å; P480-V483 WeakPolarHBondContact O-CA 3.39Å; P480-V483 WeakPolarHBondContact O-CB 3.2Å; P480-V483 PolarHBondContact O-N 3.48Å; V483-S485 VanDerWaalsContact C-N 3.32Å; V483-S485 PolarHBondContact O-N 3.47Å; V483-L486 HydrophobicContact CG1-CD1 4.44Å; V483-L486 WeakPolarHBondContact O-CB 3.03Å; V483-L486 PolarHBondContact O-N 3.12Å; V483-L486 VanDerWaalsContact O-N 3.09Å; V483-L487 PolarHBondContact O-N 2.93Å
484S67.7Low69.3Low4 Ų425.2 Ų25.23%0.02812%0.124CC..Hα-helixtrans-56.8-42169.6-178.30000112.3Y134 F476 P480 L481 H482 L486 L487Y134-S484 PolarHBondContact O-OG 2.85Å; F476-S484 WeakPolarHBondContact CD1-OG 3.44Å; F476-S484 WeakPolarHBondContact CE1-OG 3.44Å; P480-S484 PolarHBondContact O-N 3.09Å; P480-S484 VanDerWaalsContact O-N 3.17Å; L481-S484 WeakPolarHBondContact O-CB 3.46Å; L481-S484 PolarHBondContact O-N 3.3Å; H482-S484 VanDerWaalsContact C-N 3.25Å; S484-L486 VanDerWaalsContact C-N 3.31Å; S484-L486 PolarHBondContact O-N 3.34Å; S484-L487 WeakPolarHBondContact O-CA 3.42Å; S484-L487 WeakPolarHBondContact O-CB 3.44Å; S484-L487 PolarHBondContact O-N 3.12Å
485S63.3Low70.8Confident33 Ų3320.3 Ų20.323%0.23110%0.101CC..Hα-helixtrans-67.3-26.9174.443.60000114.6Y134 L481 H482 V483 L487Y134-S485 VanDerWaalsContact CD1-CB 3.5Å; Y134-S485 WeakPolarHBondContact CD1-OG 3.48Å; Y134-S485 VanDerWaalsContact CE1-OG 3.25Å; Y134-S485 WeakPolarHBondContact CE1-OG 3.48Å; L481-S485 PolarHBondContact O-N 2.9Å; H482-S485 PolarHBondContact O-N 3.08Å; H482-S485 PolarHBondContact O-OG 3.46Å; V483-S485 VanDerWaalsContact C-N 3.32Å; V483-S485 PolarHBondContact O-N 3.47Å; S485-L487 PolarHBondContact O-N 3.22Å
486L59.1Low72.2Confident9 Ų921.6 Ų21.65%0.04711%0.106CC..Hα-helixtrans-64.7-21.2171.5-65167.9000111.3L408 T444 H482 V483 S484 E488L408-L486 HydrophobicContact CB-CD2 3.63Å; L408-L486 HydrophobicContact CD1-CD2 3.26Å; L408-L486 HydrophobicContact CD1-CG 4.45Å; L408-L486 HydrophobicContact CG-CD2 3.97Å; T444-L486 HydrophobicContact CG2-CD1 3.49Å; T444-L486 VanDerWaalsContact CG2-CD1 3.49Å; H482-L486 PolarHBondContact O-N 3.37Å; V483-L486 HydrophobicContact CG1-CD1 4.44Å; V483-L486 WeakPolarHBondContact O-CB 3.03Å; V483-L486 PolarHBondContact O-N 3.12Å; V483-L486 VanDerWaalsContact O-N 3.09Å; S484-L486 VanDerWaalsContact C-N 3.31Å; S484-L486 PolarHBondContact O-N 3.34Å; L486-E488 PolarHBondContact O-N 3.45Å
487L57.7Low73.4Confident5 Ų518.9 Ų18.93%0.0269%0.094CC..  trans-81.651.6174.6-53.3172.4000111.7H136 I441 I445 F476 I479 V483 S484 S485 H489H136-L487 PolarHBondContact CE1-O 3.32Å; I441-L487 HydrophobicContact CG2-CD2 4.21Å; I445-L487 HydrophobicContact CD1-CD2 3.84Å; F476-L487 HydrophobicContact CD1-CD1 4.24Å; F476-L487 HydrophobicContact CE1-CB 4.39Å; F476-L487 HydrophobicContact CE1-CD1 3.64Å; F476-L487 HydrophobicContact CZ-CD1 4.04Å; I479-L487 HydrophobicContact CD1-CD1 3.42Å; I479-L487 VanDerWaalsContact CD1-CD1 3.42Å; I479-L487 HydrophobicContact CD1-CG 4.48Å; V483-L487 PolarHBondContact O-N 2.93Å; S484-L487 WeakPolarHBondContact O-CA 3.42Å; S484-L487 WeakPolarHBondContact O-CB 3.44Å; S484-L487 PolarHBondContact O-N 3.12Å; S485-L487 PolarHBondContact O-N 3.22Å; L487-H489 HydrophobicContact CB-CB 3.97Å; L487-H489 HydrophobicContact CD2-CB 4.1Å; L487-H489 PolarHBondContact O-N 2.86Å
488E62.8Low74.4Confident29 Ų2916.1 Ų16.114%0.1368%0.079CC..  trans-6534.1140-70.7177.4176.300110.3R213 L486 Y490 E491 L492 T1051 I1053R213-E488 IonicContact CZ-OE1 3.67Å; R213-E488 VanDerWaalsContact CZ-OE1 3.3Å; R213-E488 IonicContact NH1-OE1 2.79Å; R213-E488 PolarHBondContact NH1-OE1 3.38Å; R213-E488 IonicContact NH2-OE1 3.03Å; R213-E488 PolarHBondContact NH2-OE1 2.79Å; L486-E488 PolarHBondContact O-N 3.45Å; E488-Y490 PolarHBondContact O-N 3.43Å; E488-Y490 VanDerWaalsContact O-N 3.15Å; E488-E491 HydrophobicContact CB-CB 4.35Å; E488-E491 WeakPolarHBondContact O-CB 3.5Å; E488-E491 PolarHBondContact O-N 2.56Å; E488-L492 PolarHBondContact O-N 3.27Å; E488-T1051 WeakPolarHBondContact OE1-CG2 3.33Å; E488-I1053 VanDerWaalsContact OE2-CD1 3.23Å; E488-I1053 WeakPolarHBondContact OE2-CD1 3.36Å
489H68.8Low75.3Confident9 Ų913.4 Ų13.44%0.0427%0.067CC..Hα-helixtrans-55.8-37.1-173.6170.8-105.9000110.3Y472 L487 L492 I493Y472-H489 AromaticContact CE1-CE1 3.79Å; Y472-H489 AromaticContact CE1-NE2 3.8Å; Y472-H489 AromaticContact CE2-CE1 3.7Å; Y472-H489 AromaticContact CZ-CE1 3.37Å; Y472-H489 AromaticContact CZ-NE2 3.4Å; Y472-H489 PolarHBondContact OH-CE1 3.13Å; Y472-H489 PolarHBondContact OH-NE2 3.4Å; L487-H489 HydrophobicContact CB-CB 3.97Å; L487-H489 HydrophobicContact CD2-CB 4.1Å; L487-H489 PolarHBondContact O-N 2.86Å; H489-L492 PolarHBondContact O-N 3.07Å; H489-I493 WeakPolarHBondContact CE1-CD1 3.32Å; H489-I493 WeakPolarHBondContact NE2-CD1 3.35Å; H489-I493 WeakPolarHBondContact O-CB 3.42Å; H489-I493 WeakPolarHBondContact O-CG1 3.5Å; H489-I493 PolarHBondContact O-N 3.4Å
490Y76.8Confident76.1Confident43 Ų4313.4 Ų13.417%0.1697%0.067CC..Hα-helixtrans-73.9-33.4178.7-53.4-46.6000113.5E488 Y494 L516 I519 Y520E488-Y490 PolarHBondContact O-N 3.43Å; E488-Y490 VanDerWaalsContact O-N 3.15Å; Y490-Y494 WeakPolarHBondContact O-CB 3.41Å; Y490-Y494 PolarHBondContact O-N 3.19Å; Y490-L516 HydrophobicContact CD1-CD2 3.66Å; Y490-L516 HydrophobicContact CG-CD2 4.08Å; Y490-I519 HydrophobicContact CD1-CD1 3.42Å; Y490-I519 VanDerWaalsContact CD1-CD1 3.42Å; Y490-I519 HydrophobicContact CD2-CD1 4.14Å; Y490-I519 HydrophobicContact CD2-CG2 4.11Å; Y490-I519 HydrophobicContact CE1-CD1 3.07Å; Y490-I519 HydrophobicContact CE1-CG1 4.3Å; Y490-I519 HydrophobicContact CE2-CD1 3.82Å; Y490-I519 HydrophobicContact CE2-CG1 4.37Å; Y490-I519 HydrophobicContact CE2-CG2 4.07Å; Y490-I519 HydrophobicContact CG-CD1 3.95Å; Y490-Y520 HydrophobicContact CD2-CE2 4.47Å; Y490-Y520 HydrophobicContact CG-CE2 4.32Å
491E79.4Confident76.7Confident40 Ų4013.4 Ų13.419%0.1877%0.066CC..Hα-helixtrans-65.3-45.5170.9-73.1176.9-152.100110.6E488 Y494 N495 P643 I1053E488-E491 HydrophobicContact CB-CB 4.35Å; E488-E491 WeakPolarHBondContact O-CB 3.5Å; E488-E491 PolarHBondContact O-N 2.56Å; E491-Y494 WeakPolarHBondContact O-CB 3.46Å; E491-Y494 PolarHBondContact O-N 3.06Å; E491-N495 WeakPolarHBondContact O-CB 3.41Å; E491-N495 PolarHBondContact O-N 3.36Å; E491-N495 PolarHBondContact O-ND2 3.43Å; E491-P643 HydrophobicContact CB-CB 4.38Å; E491-P643 HydrophobicContact CG-CB 3.58Å; E491-P643 HydrophobicContact CG-CG 4.47Å; E491-I1053 WeakPolarHBondContact OE2-CD1 3.46Å
492L83.1Confident77.2Confident5 Ų514.2 Ų14.23%0.0267%0.069CC..Hα-helixtrans-68.8-40.6179.5-65.4173.6000112.6V411 N415 I434 L438 I441 E488 H489 Y494 N495 Y496V411-L492 HydrophobicContact CG1-CD1 3.94Å; N415-L492 HydrophobicContact CB-CD2 3.68Å; N415-L492 WeakPolarHBondContact OD1-CD2 3.33Å; I434-L492 HydrophobicContact CD1-CB 4.47Å; I434-L492 HydrophobicContact CD1-CD2 3.69Å; L438-L492 HydrophobicContact CD2-CB 3.98Å; I441-L492 HydrophobicContact CD1-CD1 3.15Å; E488-L492 PolarHBondContact O-N 3.27Å; H489-L492 PolarHBondContact O-N 3.07Å; L492-Y494 VanDerWaalsContact C-N 3.32Å; L492-N495 PolarHBondContact O-N 2.62Å; L492-Y496 VanDerWaalsContact O-CB 3.23Å; L492-Y496 WeakPolarHBondContact O-CB 3.48Å; L492-Y496 PolarHBondContact O-N 3.03Å
493I84.5Confident78.1Confident6 Ų614.7 Ų14.73%0.0317%0.073CC..Hα-helixtrans-62-43.5172.2-78.1-175.2000110.2H489 Y496 G497 T512 L516H489-I493 WeakPolarHBondContact CE1-CD1 3.32Å; H489-I493 WeakPolarHBondContact NE2-CD1 3.35Å; H489-I493 WeakPolarHBondContact O-CB 3.42Å; H489-I493 WeakPolarHBondContact O-CG1 3.5Å; H489-I493 PolarHBondContact O-N 3.4Å; I493-Y496 PolarHBondContact O-N 2.96Å; I493-G497 PolarHBondContact O-N 2.98Å; I493-T512 HydrophobicContact CG2-CG2 3.62Å; I493-T512 WeakPolarHBondContact O-CG2 2.99Å; I493-L516 HydrophobicContact CB-CD2 4.34Å; I493-L516 HydrophobicContact CG2-CD1 3.93Å; I493-L516 HydrophobicContact CG2-CD2 3.87Å; I493-L516 HydrophobicContact CG2-CG 3.9Å
494Y86.7Confident78.9Confident2 Ų218.7 Ų18.71%0.0089%0.094CC..Hα-helixtrans-59.2-53.6177.5-176.6-92.7000110Y490 E491 L492 Y496 G497 I498 L513 L516 L526 P643 E1059Y490-Y494 WeakPolarHBondContact O-CB 3.41Å; Y490-Y494 PolarHBondContact O-N 3.19Å; E491-Y494 WeakPolarHBondContact O-CB 3.46Å; E491-Y494 PolarHBondContact O-N 3.06Å; L492-Y494 VanDerWaalsContact C-N 3.32Å; Y494-Y496 VanDerWaalsContact C-N 3.29Å; Y494-Y496 PolarHBondContact O-N 3.04Å; Y494-G497 WeakPolarHBondContact O-CA 3.44Å; Y494-G497 PolarHBondContact O-N 2.96Å; Y494-G497 VanDerWaalsContact O-N 3.09Å; Y494-I498 HydrophobicContact CD1-CG1 4.1Å; Y494-I498 HydrophobicContact CE1-CD1 4.17Å; Y494-I498 HydrophobicContact CE1-CG1 3.76Å; Y494-I498 WeakPolarHBondContact O-CG1 3.43Å; Y494-I498 PolarHBondContact O-N 2.9Å; Y494-L513 HydrophobicContact CD2-CD2 3.91Å; Y494-L513 HydrophobicContact CE2-CD2 4.29Å; Y494-L516 HydrophobicContact CD2-CD1 3.79Å; Y494-L516 HydrophobicContact CG-CD1 4.2Å; Y494-L526 HydrophobicContact CD2-CD1 4.15Å; Y494-L526 HydrophobicContact CE2-CD1 3.98Å; Y494-P643 HydrophobicContact CD1-CG 4.35Å; Y494-P643 HydrophobicContact CD2-CG 4.05Å; Y494-P643 HydrophobicContact CG-CG 3.73Å; Y494-E1059 WeakPolarHBondContact CE1-OE1 3.27Å; Y494-E1059 VanDerWaalsContact CZ-OE1 3.25Å; Y494-E1059 VanDerWaalsContact OH-CD 3.23Å; Y494-E1059 PolarHBondContact OH-OE1 3.48Å; Y494-E1059 PolarHBondContact OH-OE2 2.72Å
495N87.3Confident79.9Confident13 Ų1323.7 Ų23.77%0.0711%0.112CC..Hα-helixtrans-57.6-41.7177.1-68.7-13.8000111.7N415 I434 E491 L492 I498 Q499N415-N495 PolarHBondContact OD1-ND2 3.38Å; N415-N495 VanDerWaalsContact OD1-ND2 3.08Å; I434-N495 HydrophobicContact CD1-CB 4.21Å; E491-N495 WeakPolarHBondContact O-CB 3.41Å; E491-N495 PolarHBondContact O-N 3.36Å; E491-N495 PolarHBondContact O-ND2 3.43Å; L492-N495 PolarHBondContact O-N 2.62Å; N495-I498 PolarHBondContact O-N 3.39Å; N495-Q499 VanDerWaalsContact O-CG 3.31Å; N495-Q499 WeakPolarHBondContact O-CG 3.34Å; N495-Q499 PolarHBondContact O-N 3.05Å
496Y90.3Very high81.1Confident30 Ų3022.9 Ų22.912%0.11811%0.106CC..Hα-helixtrans-61-45.5175.1178.9-120.6000112L431 I434 R435 L438 L492 I493 Y494 I498 Q499 L500 T512L431-Y496 HydrophobicContact CD1-CD2 3.87Å; L431-Y496 HydrophobicContact CD1-CE2 3.56Å; I434-Y496 HydrophobicContact CG2-CD2 3.79Å; R435-Y496 HydrophobicContact CG-CD2 4.28Å; R435-Y496 HydrophobicContact CG-CE2 3.61Å; R435-Y496 PolarHBondContact NH1-OH 3.26Å; L438-Y496 HydrophobicContact CD1-CD1 4.03Å; L438-Y496 HydrophobicContact CD1-CD2 4.07Å; L438-Y496 HydrophobicContact CD1-CG 3.76Å; L492-Y496 VanDerWaalsContact O-CB 3.23Å; L492-Y496 WeakPolarHBondContact O-CB 3.48Å; L492-Y496 PolarHBondContact O-N 3.03Å; I493-Y496 PolarHBondContact O-N 2.96Å; Y494-Y496 VanDerWaalsContact C-N 3.29Å; Y494-Y496 PolarHBondContact O-N 3.04Å; Y496-I498 VanDerWaalsContact C-N 3.34Å; Y496-I498 PolarHBondContact O-N 3.39Å; Y496-Q499 PolarHBondContact O-N 3.45Å; Y496-L500 HydrophobicContact CD1-CD1 3.9Å; Y496-L500 HydrophobicContact CD2-CG 4.44Å; Y496-L500 HydrophobicContact CE1-CD1 3.47Å; Y496-L500 VanDerWaalsContact CE1-CD1 3.47Å; Y496-L500 HydrophobicContact CE1-CG 4.27Å; Y496-L500 HydrophobicContact CE2-CD1 4.21Å; Y496-L500 HydrophobicContact CE2-CD2 4.25Å; Y496-L500 HydrophobicContact CE2-CG 4.11Å; Y496-L500 HydrophobicContact CG-CD1 4.41Å; Y496-L500 WeakPolarHBondContact O-CG 3.49Å; Y496-L500 PolarHBondContact O-N 3.35Å; Y496-T512 HydrophobicContact CD1-CG2 3.78Å; Y496-T512 HydrophobicContact CE1-CG2 4.43Å
497G89.7Confident82.5Confident0 Ų025.5 Ų25.50%013%0.126CC..Hα-helixtrans-59.5-42174.800000112.7I493 Y494 L500 L501 A509I493-G497 PolarHBondContact O-N 2.98Å; Y494-G497 WeakPolarHBondContact O-CA 3.44Å; Y494-G497 PolarHBondContact O-N 2.96Å; Y494-G497 VanDerWaalsContact O-N 3.09Å; G497-L500 PolarHBondContact O-N 3.46Å; G497-L501 PolarHBondContact O-N 2.94Å; G497-A509 WeakPolarHBondContact O-CB 3.06Å
498I86.6Confident84.1Confident9 Ų929.1 Ų29.15%0.04614%0.142CC..Hα-helixtrans-62.8-46.8173.1-61.2-54.8000110.9Y494 N495 Y496 L500 L501 F502 R529Y494-I498 HydrophobicContact CD1-CG1 4.1Å; Y494-I498 HydrophobicContact CE1-CD1 4.17Å; Y494-I498 HydrophobicContact CE1-CG1 3.76Å; Y494-I498 WeakPolarHBondContact O-CG1 3.43Å; Y494-I498 PolarHBondContact O-N 2.9Å; N495-I498 PolarHBondContact O-N 3.39Å; Y496-I498 VanDerWaalsContact C-N 3.34Å; Y496-I498 PolarHBondContact O-N 3.39Å; I498-L500 VanDerWaalsContact C-N 3.27Å; I498-L500 PolarHBondContact O-N 3.03Å; I498-L501 PolarHBondContact O-N 2.87Å; I498-L501 VanDerWaalsContact O-N 3.15Å; I498-F502 HydrophobicContact CG2-CD2 3.82Å; I498-F502 HydrophobicContact CG2-CE2 3.91Å; I498-F502 VanDerWaalsContact O-CD2 3.29Å; I498-F502 WeakPolarHBondContact O-CD2 3.22Å; I498-F502 PolarHBondContact O-N 3.37Å; I498-R529 HydrophobicContact CD1-CB 4.4Å; I498-R529 HydrophobicContact CD1-CG 3.78Å
499Q86.2Confident85.5Confident2 Ų227.7 Ų27.71%0.00914%0.136CC..Hα-helixtrans-60.8-37.5177.5-65.2-65.81.900112.2S418 H422 C427 L431 I434 N495 Y496 T503S418-Q499 PolarHBondContact O-NE2 3.17Å; S418-Q499 VanDerWaalsContact O-NE2 3.08Å; S418-Q499 PolarHBondContact OG-NE2 2.88Å; H422-Q499 PolarHBondContact ND1-OE1 3.11Å; C427-Q499 PolarHBondContact O-OE1 3.09Å; L431-Q499 HydrophobicContact CB-CB 4.15Å; L431-Q499 HydrophobicContact CD1-CB 3.85Å; I434-Q499 HydrophobicContact CG2-CB 4.39Å; I434-Q499 HydrophobicContact CG2-CG 4.08Å; N495-Q499 VanDerWaalsContact O-CG 3.31Å; N495-Q499 WeakPolarHBondContact O-CG 3.34Å; N495-Q499 PolarHBondContact O-N 3.05Å; Y496-Q499 PolarHBondContact O-N 3.45Å; Q499-T503 WeakPolarHBondContact O-CB 3.37Å; Q499-T503 VanDerWaalsContact O-CG2 3.23Å; Q499-T503 WeakPolarHBondContact O-CG2 3.48Å; Q499-T503 PolarHBondContact O-N 3.25Å; Q499-T503 PolarHBondContact O-OG1 2.55Å
500L89Confident86.7Confident0 Ų027.8 Ų27.80%014%0.136CC..Hα-helixtrans-63.6-44.4174.4-72.3170.7000111.9L431 Y496 G497 I498 F502 T503 R505 E508 A509L431-L500 HydrophobicContact CD1-CD2 3.93Å; L431-L500 HydrophobicContact CD1-CG 4.18Å; L431-L500 HydrophobicContact CD2-CD2 4.42Å; Y496-L500 HydrophobicContact CD1-CD1 3.9Å; Y496-L500 HydrophobicContact CD2-CG 4.44Å; Y496-L500 HydrophobicContact CE1-CD1 3.47Å; Y496-L500 VanDerWaalsContact CE1-CD1 3.47Å; Y496-L500 HydrophobicContact CE1-CG 4.27Å; Y496-L500 HydrophobicContact CE2-CD1 4.21Å; Y496-L500 HydrophobicContact CE2-CD2 4.25Å; Y496-L500 HydrophobicContact CE2-CG 4.11Å; Y496-L500 HydrophobicContact CG-CD1 4.41Å; Y496-L500 WeakPolarHBondContact O-CG 3.49Å; Y496-L500 PolarHBondContact O-N 3.35Å; G497-L500 PolarHBondContact O-N 3.46Å; I498-L500 VanDerWaalsContact C-N 3.27Å; I498-L500 PolarHBondContact O-N 3.03Å; L500-F502 PolarHBondContact O-N 3.45Å; L500-T503 WeakPolarHBondContact CA-OG1 3.31Å; L500-T503 PolarHBondContact O-N 3.39Å; L500-T503 PolarHBondContact O-OG1 3.37Å; L500-T503 VanDerWaalsContact O-OG1 3.11Å; L500-R505 HydrophobicContact CB-CB 4.44Å; L500-R505 HydrophobicContact CD2-CB 4.26Å; L500-R505 WeakPolarHBondContact O-CA 3.47Å; L500-R505 WeakPolarHBondContact O-CB 3.5Å; L500-R505 PolarHBondContact O-N 3.35Å; L500-E508 HydrophobicContact CD1-CB 3.92Å; L500-E508 HydrophobicContact CD2-CB 4.2Å; L500-A509 HydrophobicContact CB-CB 3.76Å
501L86.6Confident87.3Confident11 Ų1128 Ų286%0.05814%0.144CC..Hα-helixtrans-59.5-48.6178.4178.857.7000110.9G497 I498 T503 N504 A509 E532 C533 K536G497-L501 PolarHBondContact O-N 2.94Å; I498-L501 PolarHBondContact O-N 2.87Å; I498-L501 VanDerWaalsContact O-N 3.15Å; L501-T503 VanDerWaalsContact C-N 3.27Å; L501-T503 PolarHBondContact O-N 2.98Å; L501-N504 PolarHBondContact O-N 2.92Å; L501-A509 HydrophobicContact CB-CB 3.9Å; L501-E532 HydrophobicContact CD2-CB 4.02Å; L501-C533 HydrophobicContact CD1-CB 4.46Å; L501-K536 HydrophobicContact CD1-CB 4.36Å
502F83.3Confident87.8Confident33 Ų3326.8 Ų26.815%0.14514%0.139CC..Hα-helixtrans-78.4-7-177.5-76.9-104.1000114.2H422 C427 I498 L500 M765 P1063H422-F502 AromaticContact CE1-CD1 3.97Å; H422-F502 AromaticContact CE1-CD2 3.81Å; H422-F502 AromaticContact CE1-CG 3.7Å; C427-F502 HydrophobicContact CB-CB 4.13Å; I498-F502 HydrophobicContact CG2-CD2 3.82Å; I498-F502 HydrophobicContact CG2-CE2 3.91Å; I498-F502 VanDerWaalsContact O-CD2 3.29Å; I498-F502 WeakPolarHBondContact O-CD2 3.22Å; I498-F502 PolarHBondContact O-N 3.37Å; L500-F502 PolarHBondContact O-N 3.45Å; F502-M765 HydrophobicContact CD1-CE 3.61Å; F502-M765 HydrophobicContact CD1-SD 4.37Å; F502-M765 HydrophobicContact CE1-CE 3.44Å; F502-M765 VanDerWaalsContact CE1-CE 3.44Å; F502-M765 HydrophobicContact CE1-SD 3.93Å; F502-P1063 HydrophobicContact CE1-CB 4.37Å; F502-P1063 HydrophobicContact CZ-CB 4.48Å
503T83.5Confident88.1Confident25 Ų2526.5 Ų26.515%0.15314%0.138CC..THydrogen-bonded Turntrans-98.818169.353.90000112.9C427 T428 L431 Q499 L500 L501C427-T503 HydrophobicContact CB-CG2 3.88Å; T428-T503 HydrophobicContact CG2-CG2 4.05Å; L431-T503 HydrophobicContact CB-CG2 4.22Å; L431-T503 HydrophobicContact CD2-CG2 4.12Å; Q499-T503 WeakPolarHBondContact O-CB 3.37Å; Q499-T503 VanDerWaalsContact O-CG2 3.23Å; Q499-T503 WeakPolarHBondContact O-CG2 3.48Å; Q499-T503 PolarHBondContact O-N 3.25Å; Q499-T503 PolarHBondContact O-OG1 2.55Å; L500-T503 WeakPolarHBondContact CA-OG1 3.31Å; L500-T503 PolarHBondContact O-N 3.39Å; L500-T503 PolarHBondContact O-OG1 3.37Å; L500-T503 VanDerWaalsContact O-OG1 3.11Å; L501-T503 VanDerWaalsContact C-N 3.27Å; L501-T503 PolarHBondContact O-N 2.98Å
504N83.7Confident88.4Confident85 Ų8528.1 Ų28.146%0.45515%0.15SC..THydrogen-bonded Turntrans60.637.4-178.5-64.3-43.6000113.8L501 P506 K536L501-N504 PolarHBondContact O-N 2.92Å; N504-P506 VanDerWaalsContact O-CD 3.25Å; N504-P506 WeakPolarHBondContact O-CD 3.43Å; N504-K536 WeakPolarHBondContact OD1-CE 3.37Å
505R88.6Confident88.3Confident108 Ų10829 Ų2941%0.40815%0.154SC..  trans-116.162.6172.3-55.9-173.5-174.9-157.52.1111.4L500 S507 E508 A509L500-R505 HydrophobicContact CB-CB 4.44Å; L500-R505 HydrophobicContact CD2-CB 4.26Å; L500-R505 WeakPolarHBondContact O-CA 3.47Å; L500-R505 WeakPolarHBondContact O-CB 3.5Å; L500-R505 PolarHBondContact O-N 3.35Å; R505-S507 VanDerWaalsContact C-N 3.35Å; R505-S507 PolarHBondContact O-N 3.34Å; R505-E508 HydrophobicContact CB-CB 4.35Å; R505-E508 WeakPolarHBondContact CD-OE1 3.34Å; R505-E508 IonicContact NH1-OE1 2.88Å; R505-E508 IonicContact NH1-OE2 2.92Å; R505-E508 PolarHBondContact O-N 2.78Å; R505-A509 WeakPolarHBondContact O-CB 3.19Å; R505-A509 PolarHBondContact O-N 3.15Å
506P88.6Confident88.2Confident16 Ų1628.4 Ų28.410%0.10415%0.15CC..Hα-helixtrans-63.7-34.7-171.425-34.5000113.7N504 A509 F510 C533 K536 L537N504-P506 VanDerWaalsContact O-CD 3.25Å; N504-P506 WeakPolarHBondContact O-CD 3.43Å; P506-A509 PolarHBondContact O-N 2.92Å; P506-F510 WeakPolarHBondContact O-CB 3.09Å; P506-F510 PolarHBondContact O-N 2.71Å; P506-C533 WeakPolarHBondContact CB-O 3.43Å; P506-K536 HydrophobicContact CB-CB 4.15Å; P506-K536 HydrophobicContact CB-CG 4.31Å; P506-K536 HydrophobicContact CG-CG 4.35Å; P506-L537 HydrophobicContact CB-CB 4.19Å; P506-L537 HydrophobicContact CG-CB 4.09Å; P506-L537 HydrophobicContact CG-CD1 4.14Å
507S90.3Very high88.1Confident64 Ų6428 Ų2845%0.44815%0.151SC..Hα-helixtrans-66.3-44.6179.2-490000112.2R505 F510 S511 L537R505-S507 VanDerWaalsContact C-N 3.35Å; R505-S507 PolarHBondContact O-N 3.34Å; S507-F510 PolarHBondContact O-N 3.01Å; S507-S511 PolarHBondContact O-N 3.44Å; S507-S511 VanDerWaalsContact O-N 3.08Å; S507-S511 PolarHBondContact O-OG 3.16Å; S507-L537 WeakPolarHBondContact OG-CD1 3.39Å
508E91Very high87.8Confident81 Ų8135.5 Ų35.538%0.37918%0.179SC..Hα-helixtrans-64.7-43.2174.9-67.6179.3-124.500110.3L500 R505 F510 S511 T512L500-E508 HydrophobicContact CD1-CB 3.92Å; L500-E508 HydrophobicContact CD2-CB 4.2Å; R505-E508 HydrophobicContact CB-CB 4.35Å; R505-E508 WeakPolarHBondContact CD-OE1 3.34Å; R505-E508 IonicContact NH1-OE1 2.88Å; R505-E508 IonicContact NH1-OE2 2.92Å; R505-E508 PolarHBondContact O-N 2.78Å; E508-F510 PolarHBondContact O-N 3.37Å; E508-S511 PolarHBondContact O-N 3.23Å; E508-S511 PolarHBondContact O-OG 2.9Å; E508-T512 WeakPolarHBondContact O-CB 3.5Å; E508-T512 PolarHBondContact O-N 3.35Å; E508-T512 PolarHBondContact O-OG1 2.98Å
509A90.8Very high87.5Confident0 Ų037.4 Ų37.40%019%0.189CC..Hα-helixtrans-59.2-47176.700000112.1G497 L500 L501 R505 P506 S511 T512 L513G497-A509 WeakPolarHBondContact O-CB 3.06Å; L500-A509 HydrophobicContact CB-CB 3.76Å; L501-A509 HydrophobicContact CB-CB 3.9Å; R505-A509 WeakPolarHBondContact O-CB 3.19Å; R505-A509 PolarHBondContact O-N 3.15Å; P506-A509 PolarHBondContact O-N 2.92Å; A509-S511 PolarHBondContact O-N 2.92Å; A509-T512 PolarHBondContact O-N 3.03Å; A509-L513 WeakPolarHBondContact O-CB 2.89Å; A509-L513 WeakPolarHBondContact O-CG 3.32Å; A509-L513 PolarHBondContact O-N 3.36Å
510F93.9Very high87.4Confident11 Ų1139.8 Ų39.85%0.04820%0.198CC..Hα-helixtrans-59.2-47.4176.8-176.5-89.8000111.7P506 S507 E508 T512 L513 S514 L530 C533 S587 P589 F593P506-F510 WeakPolarHBondContact O-CB 3.09Å; P506-F510 PolarHBondContact O-N 2.71Å; S507-F510 PolarHBondContact O-N 3.01Å; E508-F510 PolarHBondContact O-N 3.37Å; F510-T512 PolarHBondContact O-N 2.74Å; F510-L513 PolarHBondContact O-N 3.29Å; F510-S514 WeakPolarHBondContact O-CB 3.29Å; F510-S514 PolarHBondContact O-N 3.25Å; F510-S514 PolarHBondContact O-OG 3.28Å; F510-L530 HydrophobicContact CD2-CD2 3.84Å; F510-L530 HydrophobicContact CE2-CD2 4.07Å; F510-L530 HydrophobicContact CG-CD2 4.44Å; F510-C533 HydrophobicContact CB-CB 3.93Å; F510-C533 HydrophobicContact CD2-CB 4.1Å; F510-S587 WeakPolarHBondContact CE1-O 3.44Å; F510-P589 HydrophobicContact CB-CB 4.37Å; F510-P589 HydrophobicContact CD1-CB 4.09Å; F510-P589 HydrophobicContact CD1-CG 4.22Å; F510-P589 HydrophobicContact CD2-CB 3.8Å; F510-P589 HydrophobicContact CE1-CB 4.32Å; F510-P589 HydrophobicContact CE2-CB 4.03Å; F510-P589 HydrophobicContact CG-CB 3.82Å; F510-P589 HydrophobicContact CG-CG 4.32Å; F510-P589 HydrophobicContact CZ-CB 4.29Å; F510-F593 AromaticContact CE2-CD1 3.65Å; F510-F593 HydrophobicContact CE2-CD1 3.65Å; F510-F593 AromaticContact CE2-CE1 3.46Å; F510-F593 HydrophobicContact CE2-CE1 3.46Å; F510-F593 VanDerWaalsContact CE2-CE1 3.46Å; F510-F593 HydrophobicContact CE2-CZ 4.2Å; F510-F593 AromaticContact CZ-CD1 3.96Å; F510-F593 HydrophobicContact CZ-CD1 3.96Å; F510-F593 AromaticContact CZ-CE1 3.75Å; F510-F593 HydrophobicContact CZ-CE1 3.75Å; F510-F593 HydrophobicContact CZ-CG 4.47Å; F510-F593 HydrophobicContact CZ-CZ 4.07Å
511S90.6Very high87.4Confident47 Ų4743 Ų4333%0.32922%0.219SC..Hα-helixtrans-62.5-32.8178.671.30000112.8S507 E508 A509 S514 Q515S507-S511 PolarHBondContact O-N 3.44Å; S507-S511 VanDerWaalsContact O-N 3.08Å; S507-S511 PolarHBondContact O-OG 3.16Å; E508-S511 PolarHBondContact O-N 3.23Å; E508-S511 PolarHBondContact O-OG 2.9Å; A509-S511 PolarHBondContact O-N 2.92Å; S511-S514 PolarHBondContact O-OG 3.06Å; S511-Q515 WeakPolarHBondContact O-CG 3.28Å; S511-Q515 PolarHBondContact O-NE2 3.45Å
512T88.8Confident87.5Confident14 Ų1452.2 Ų52.29%0.08625%0.253CS..Hα-helixtrans-75.8-50.2178.8-58.20000110.9I493 Y496 E508 A509 F510I493-T512 HydrophobicContact CG2-CG2 3.62Å; I493-T512 WeakPolarHBondContact O-CG2 2.99Å; Y496-T512 HydrophobicContact CD1-CG2 3.78Å; Y496-T512 HydrophobicContact CE1-CG2 4.43Å; E508-T512 WeakPolarHBondContact O-CB 3.5Å; E508-T512 PolarHBondContact O-N 3.35Å; E508-T512 PolarHBondContact O-OG1 2.98Å; A509-T512 PolarHBondContact O-N 3.03Å; F510-T512 PolarHBondContact O-N 2.74Å
513L90.7Very high87.8Confident0 Ų050.8 Ų50.80%025%0.247CC..Hα-helixtrans-72.8-32.7-176.2-67.7173.2000112.9Y494 A509 F510 Q515 L516 L526 R529 L530Y494-L513 HydrophobicContact CD2-CD2 3.91Å; Y494-L513 HydrophobicContact CE2-CD2 4.29Å; A509-L513 WeakPolarHBondContact O-CB 2.89Å; A509-L513 WeakPolarHBondContact O-CG 3.32Å; A509-L513 PolarHBondContact O-N 3.36Å; F510-L513 PolarHBondContact O-N 3.29Å; L513-Q515 PolarHBondContact O-N 3.07Å; L513-L516 HydrophobicContact CD2-CD1 4.3Å; L513-L516 WeakPolarHBondContact O-CB 3.34Å; L513-L516 PolarHBondContact O-N 3.09Å; L513-L526 HydrophobicContact CB-CD1 4.11Å; L513-L526 HydrophobicContact CD2-CD1 4.17Å; L513-R529 HydrophobicContact CD1-CB 4.05Å; L513-L530 HydrophobicContact CB-CD2 3.76Å; L513-L530 HydrophobicContact CB-CG 4.46Å
514S90.5Very high88.3Confident40 Ų4049.6 Ų49.628%0.2824%0.24SC..Hα-helixtrans-61-27.5-179.954.60000112.6F510 S511 L516 V517F510-S514 WeakPolarHBondContact O-CB 3.29Å; F510-S514 PolarHBondContact O-N 3.25Å; F510-S514 PolarHBondContact O-OG 3.28Å; S511-S514 PolarHBondContact O-OG 3.06Å; S514-L516 VanDerWaalsContact C-N 3.28Å; S514-L516 PolarHBondContact O-N 3.5Å; S514-V517 WeakPolarHBondContact O-CB 2.99Å; S514-V517 PolarHBondContact O-N 2.83Å
515Q84Confident88.5Confident20 Ų2046 Ų469%0.09322%0.22CC..Hα-helixtrans-64.3-35.9175.8-62.2174.334.200111.7C466 L469 S511 L513 V517C466-Q515 PolarHBondContact O-NE2 2.79Å; L469-Q515 HydrophobicContact CD1-CB 3.91Å; L469-Q515 VanDerWaalsContact CD1-O 3.25Å; L469-Q515 WeakPolarHBondContact CD1-O 3.45Å; S511-Q515 WeakPolarHBondContact O-CG 3.28Å; S511-Q515 PolarHBondContact O-NE2 3.45Å; L513-Q515 PolarHBondContact O-N 3.07Å; Q515-V517 VanDerWaalsContact C-N 3.25Å; Q515-V517 PolarHBondContact O-N 2.99Å
516L85.9Confident88.7Confident0 Ų040.8 Ų40.80%020%0.2CC..Hα-helixtrans-71.7-19-178.5-60.2-179.3000113Y490 I493 Y494 L513 S514 R518 I519 Y520 L526Y490-L516 HydrophobicContact CD1-CD2 3.66Å; Y490-L516 HydrophobicContact CG-CD2 4.08Å; I493-L516 HydrophobicContact CB-CD2 4.34Å; I493-L516 HydrophobicContact CG2-CD1 3.93Å; I493-L516 HydrophobicContact CG2-CD2 3.87Å; I493-L516 HydrophobicContact CG2-CG 3.9Å; Y494-L516 HydrophobicContact CD2-CD1 3.79Å; Y494-L516 HydrophobicContact CG-CD1 4.2Å; L513-L516 HydrophobicContact CD2-CD1 4.3Å; L513-L516 WeakPolarHBondContact O-CB 3.34Å; L513-L516 PolarHBondContact O-N 3.09Å; S514-L516 VanDerWaalsContact C-N 3.28Å; S514-L516 PolarHBondContact O-N 3.5Å; L516-R518 PolarHBondContact O-N 3.3Å; L516-I519 HydrophobicContact CD2-CD1 4.29Å; L516-I519 PolarHBondContact O-N 3.16Å; L516-Y520 HydrophobicContact CB-CD2 4.48Å; L516-Y520 PolarHBondContact O-N 2.79Å; L516-L526 HydrophobicContact CB-CD1 4.23Å; L516-L526 HydrophobicContact CB-CD2 3.71Å
517V87.9Confident89Confident23 Ų2341.7 Ų41.714%0.13920%0.202CC..THydrogen-bonded Turntrans-62.3-34.7-179.7176.20000111.7S514 Q515 I519 Y520 P521 L526 W527 L530S514-V517 WeakPolarHBondContact O-CB 2.99Å; S514-V517 PolarHBondContact O-N 2.83Å; Q515-V517 VanDerWaalsContact C-N 3.25Å; Q515-V517 PolarHBondContact O-N 2.99Å; V517-I519 PolarHBondContact O-N 2.84Å; V517-Y520 CarbonylContact O-C 3.58Å; V517-P521 WeakPolarHBondContact O-CA 3.41Å; V517-P521 WeakPolarHBondContact O-CB 3.4Å; V517-P521 WeakPolarHBondContact O-CD 2.93Å; V517-P521 VanDerWaalsContact O-N 3.07Å; V517-L526 HydrophobicContact CG2-CD2 4Å; V517-L526 HydrophobicContact CG2-CG 4.29Å; V517-W527 HydrophobicContact CG1-CH2 3.35Å; V517-W527 HydrophobicContact CG1-CZ2 3.34Å; V517-W527 HydrophobicContact CG1-CZ3 4.09Å; V517-L530 HydrophobicContact CG2-CD1 3.32Å
518R82.7Confident89.2Confident156 Ų15638.7 Ų38.759%0.58918%0.18SC*.THydrogen-bonded Turntrans-65.6-26.4177.3-70.6-171.9-71.2-136.2-5.5112.6L469 L516L469-R518 VanDerWaalsContact CB-NH2 3.27Å; L516-R518 PolarHBondContact O-N 3.3Å
519I80.4Confident89.3Confident49 Ų4935 Ų3525%0.25116%0.163SC..THydrogen-bonded Turntrans-95.8-43-176.3-60149.7000110.6L469 Y490 L516 V517 P521L469-I519 HydrophobicContact CD1-CD1 3.69Å; L469-I519 HydrophobicContact CD1-CG1 4.46Å; L469-I519 HydrophobicContact CD2-CD1 3.9Å; L469-I519 HydrophobicContact CD2-CG1 3.89Å; L469-I519 HydrophobicContact CG-CD1 4.24Å; Y490-I519 HydrophobicContact CD1-CD1 3.42Å; Y490-I519 VanDerWaalsContact CD1-CD1 3.42Å; Y490-I519 HydrophobicContact CD2-CD1 4.14Å; Y490-I519 HydrophobicContact CD2-CG2 4.11Å; Y490-I519 HydrophobicContact CE1-CD1 3.07Å; Y490-I519 HydrophobicContact CE1-CG1 4.3Å; Y490-I519 HydrophobicContact CE2-CD1 3.82Å; Y490-I519 HydrophobicContact CE2-CG1 4.37Å; Y490-I519 HydrophobicContact CE2-CG2 4.07Å; Y490-I519 HydrophobicContact CG-CD1 3.95Å; L516-I519 HydrophobicContact CD2-CD1 4.29Å; L516-I519 PolarHBondContact O-N 3.16Å; V517-I519 PolarHBondContact O-N 2.84Å; I519-P521 WeakPolarHBondContact O-CD 3.18Å
520Y85.2Confident89.4Confident52 Ų5235 Ų3520%0.20416%0.163CC..  trans-11758.2-179.9-52.9-63.9000111.9Y490 L516 V517 R522 N523 Y642 P643Y490-Y520 HydrophobicContact CD2-CE2 4.47Å; Y490-Y520 HydrophobicContact CG-CE2 4.32Å; L516-Y520 HydrophobicContact CB-CD2 4.48Å; L516-Y520 PolarHBondContact O-N 2.79Å; V517-Y520 CarbonylContact O-C 3.58Å; Y520-R522 PolarHBondContact O-N 2.95Å; Y520-R522 VanDerWaalsContact O-N 3.15Å; Y520-N523 WeakPolarHBondContact O-CB 3.48Å; Y520-N523 PolarHBondContact O-N 2.82Å; Y520-N523 VanDerWaalsContact O-N 3.07Å; Y520-Y642 VanDerWaalsContact CE1-CB 3.49Å; Y520-Y642 HydrophobicContact CE1-CG 4.34Å; Y520-P643 HydrophobicContact CD2-CG 4.44Å; Y520-P643 HydrophobicContact CE2-CB 3.74Å; Y520-P643 HydrophobicContact CE2-CG 4.03Å
521P88.1Confident89.4Confident67 Ų6734.4 Ų34.444%0.43516%0.161SC..THydrogen-bonded Turntrans-66-20.1-178.127.8-35.5000112.6V517 I519 W527V517-P521 WeakPolarHBondContact O-CA 3.41Å; V517-P521 WeakPolarHBondContact O-CB 3.4Å; V517-P521 WeakPolarHBondContact O-CD 2.93Å; V517-P521 VanDerWaalsContact O-N 3.07Å; I519-P521 WeakPolarHBondContact O-CD 3.18Å; P521-W527 PolarHBondContact O-NE1 3.44Å
522R89.4Confident89.4Confident205 Ų20532.8 Ų32.877%0.77415%0.148SC*.THydrogen-bonded Turntrans-939.8177-67.2-168.6173.4104.20.4113.9Y520 P524 L604Y520-R522 PolarHBondContact O-N 2.95Å; Y520-R522 VanDerWaalsContact O-N 3.15Å; R522-P524 WeakPolarHBondContact O-CD 3.49Å; R522-L604 HydrophobicContact CB-CD2 4.24Å; R522-L604 HydrophobicContact CG-CD2 4.23Å
523N90.2Very high89.6Confident3 Ų332.1 Ų32.12%0.01614%0.144CC..  trans-87.9103.4174.8-179.8-7.9000110.4Y520 R525 L526 W527 T641 Y642Y520-N523 WeakPolarHBondContact O-CB 3.48Å; Y520-N523 PolarHBondContact O-N 2.82Å; Y520-N523 VanDerWaalsContact O-N 3.07Å; N523-R525 PolarHBondContact O-N 3.26Å; N523-R525 WeakPolarHBondContact OD1-CA 3.15Å; N523-R525 VanDerWaalsContact OD1-CB 3.3Å; N523-R525 WeakPolarHBondContact OD1-CB 3.14Å; N523-R525 PolarHBondContact OD1-N 2.87Å; N523-L526 HydrophobicContact CB-CB 3.88Å; N523-L526 PolarHBondContact O-N 2.97Å; N523-L526 PolarHBondContact OD1-N 3.41Å; N523-L526 VanDerWaalsContact OD1-N 3.09Å; N523-W527 PolarHBondContact O-N 3.23Å; N523-T641 PolarHBondContact ND2-O 3.36Å; N523-Y642 PolarHBondContact ND2-O 2.94Å
524P92.6Very high89.6Confident0 Ų032.1 Ų32.10%014%0.144CC..Hα-helixtrans-63.3-30.5177.924.8-34.3000113.3R522 W527 F528 A601 L604 I605 I639 T641 L648 F656R522-P524 WeakPolarHBondContact O-CD 3.49Å; P524-W527 PolarHBondContact O-N 3.18Å; P524-F528 WeakPolarHBondContact O-CB 3.18Å; P524-F528 PolarHBondContact O-N 3.28Å; P524-A601 HydrophobicContact CB-CB 4.23Å; P524-A601 VanDerWaalsContact O-CB 3.31Å; P524-A601 WeakPolarHBondContact O-CB 3.32Å; P524-L604 HydrophobicContact CB-CB 3.99Å; P524-L604 HydrophobicContact CB-CD1 4.41Å; P524-L604 HydrophobicContact CG-CB 4.4Å; P524-I605 HydrophobicContact CB-CD1 3.77Å; P524-I605 HydrophobicContact CB-CG1 3.7Å; P524-I605 HydrophobicContact CG-CD1 4.24Å; P524-I605 HydrophobicContact CG-CG1 3.91Å; P524-I639 HydrophobicContact CG-CG2 3.91Å; P524-T641 HydrophobicContact CG-CG2 4.26Å; P524-L648 HydrophobicContact CG-CD1 4.18Å; P524-F656 HydrophobicContact CB-CZ 4.43Å
525R89.6Confident89.6Confident9 Ų930.6 Ų30.63%0.03413%0.132CC..Hα-helixtrans-68.9-41.8178.7-172.6178.5-70.8162.4-2.6111N523 W527 F528 R529 T641 F656 E1059N523-R525 PolarHBondContact O-N 3.26Å; N523-R525 WeakPolarHBondContact OD1-CA 3.15Å; N523-R525 VanDerWaalsContact OD1-CB 3.3Å; N523-R525 WeakPolarHBondContact OD1-CB 3.14Å; N523-R525 PolarHBondContact OD1-N 2.87Å; R525-W527 VanDerWaalsContact C-N 3.34Å; R525-W527 PolarHBondContact O-N 3.29Å; R525-F528 WeakPolarHBondContact O-CB 3.2Å; R525-F528 PolarHBondContact O-N 3.15Å; R525-F528 VanDerWaalsContact O-N 3.15Å; R525-R529 HydrophobicContact CG-CG 4.48Å; R525-R529 WeakPolarHBondContact O-CG 3.31Å; R525-R529 PolarHBondContact O-N 3.42Å; R525-T641 HydrophobicContact CB-CG2 4.12Å; R525-F656 HydrophobicContact CB-CE2 3.91Å; R525-F656 HydrophobicContact CG-CE2 4.04Å; R525-E1059 WeakPolarHBondContact CD-OE2 3.35Å; R525-E1059 IonicContact CZ-OE2 2.66Å; R525-E1059 IonicContact NE-OE2 3.57Å; R525-E1059 IonicContact NH1-OE2 3.82Å; R525-E1059 PolarHBondContact NH1-OE2 3.28Å
526L91.4Very high89.6Confident0 Ų032.3 Ų32.30%014%0.14CC..Hα-helixtrans-59.1-45.7175176.961.8000111.7Y494 L513 L516 V517 N523 F528 R529 L530Y494-L526 HydrophobicContact CD2-CD1 4.15Å; Y494-L526 HydrophobicContact CE2-CD1 3.98Å; L513-L526 HydrophobicContact CB-CD1 4.11Å; L513-L526 HydrophobicContact CD2-CD1 4.17Å; L516-L526 HydrophobicContact CB-CD1 4.23Å; L516-L526 HydrophobicContact CB-CD2 3.71Å; V517-L526 HydrophobicContact CG2-CD2 4Å; V517-L526 HydrophobicContact CG2-CG 4.29Å; N523-L526 HydrophobicContact CB-CB 3.88Å; N523-L526 PolarHBondContact O-N 2.97Å; N523-L526 PolarHBondContact OD1-N 3.41Å; N523-L526 VanDerWaalsContact OD1-N 3.09Å; L526-F528 VanDerWaalsContact C-N 3.31Å; L526-F528 PolarHBondContact O-N 3.15Å; L526-R529 PolarHBondContact O-N 3.4Å; L526-L530 PolarHBondContact O-N 3.06Å
527W95.3Very high89.6Confident34 Ų3435.1 Ų35.113%0.12915%0.154CC..Hα-helixtrans-58.9-43.7174.4-75.4114.5000112.2V517 P521 N523 P524 R525 L530 A531 F593 A597 N600 A601V517-W527 HydrophobicContact CG1-CH2 3.35Å; V517-W527 HydrophobicContact CG1-CZ2 3.34Å; V517-W527 HydrophobicContact CG1-CZ3 4.09Å; P521-W527 PolarHBondContact O-NE1 3.44Å; N523-W527 PolarHBondContact O-N 3.23Å; P524-W527 PolarHBondContact O-N 3.18Å; R525-W527 VanDerWaalsContact C-N 3.34Å; R525-W527 PolarHBondContact O-N 3.29Å; W527-L530 HydrophobicContact CE3-CD1 4.21Å; W527-L530 HydrophobicContact CZ3-CD1 4.49Å; W527-L530 PolarHBondContact O-N 3.26Å; W527-A531 PolarHBondContact O-N 2.95Å; W527-F593 HydrophobicContact CZ3-CZ 4.31Å; W527-A597 WeakPolarHBondContact CB-O 3.24Å; W527-A597 HydrophobicContact CE3-CB 3.99Å; W527-A597 WeakPolarHBondContact O-CB 3.4Å; W527-N600 HydrophobicContact CB-CB 4.48Å; W527-N600 HydrophobicContact CD2-CB 3.78Å; W527-N600 HydrophobicContact CE3-CB 4.2Å; W527-N600 HydrophobicContact CG-CB 3.91Å; W527-N600 WeakPolarHBondContact CH2-ND2 3.41Å; W527-N600 WeakPolarHBondContact CZ3-ND2 3.21Å; W527-A601 HydrophobicContact CB-CB 4.01Å
528F94.3Very high89.4Confident1 Ų137.4 Ų37.40%0.00416%0.163CC..Hα-helixtrans-60.5-45.1174.9177.2-88.3000112.3P524 R525 L526 L530 A531 E532 L598 A601 F656 A659 L660 N663 W1062P524-F528 WeakPolarHBondContact O-CB 3.18Å; P524-F528 PolarHBondContact O-N 3.28Å; R525-F528 WeakPolarHBondContact O-CB 3.2Å; R525-F528 PolarHBondContact O-N 3.15Å; R525-F528 VanDerWaalsContact O-N 3.15Å; L526-F528 VanDerWaalsContact C-N 3.31Å; L526-F528 PolarHBondContact O-N 3.15Å; F528-L530 VanDerWaalsContact C-N 3.28Å; F528-L530 PolarHBondContact O-N 2.81Å; F528-A531 WeakPolarHBondContact O-CB 3.4Å; F528-A531 PolarHBondContact O-N 3.04Å; F528-E532 HydrophobicContact CD1-CG 4.15Å; F528-E532 HydrophobicContact CE1-CG 3.59Å; F528-E532 WeakPolarHBondContact CE1-OE1 3.41Å; F528-E532 HydrophobicContact CZ-CG 3.98Å; F528-E532 PolarHBondContact O-N 3.39Å; F528-L598 HydrophobicContact CD2-CD2 3.78Å; F528-L598 HydrophobicContact CE2-CD2 4.16Å; F528-A601 HydrophobicContact CB-CB 4.46Å; F528-F656 HydrophobicContact CB-CE2 4.3Å; F528-F656 HydrophobicContact CB-CZ 3.77Å; F528-F656 HydrophobicContact CD2-CZ 4.43Å; F528-F656 HydrophobicContact CG-CE2 4.4Å; F528-F656 HydrophobicContact CG-CZ 4.08Å; F528-A659 HydrophobicContact CZ-CB 4.41Å; F528-L660 HydrophobicContact CD2-CD1 4.03Å; F528-N663 HydrophobicContact CE2-CB 4.06Å; F528-N663 WeakPolarHBondContact CE2-ND2 3.23Å; F528-N663 WeakPolarHBondContact CZ-ND2 2.92Å; F528-W1062 AromaticContact CD1-CZ3 3.85Å; F528-W1062 HydrophobicContact CD1-CZ3 3.85Å; F528-W1062 AromaticContact CE1-CE3 3.71Å; F528-W1062 HydrophobicContact CE1-CE3 3.71Å; F528-W1062 HydrophobicContact CE1-CH2 4.42Å; F528-W1062 AromaticContact CE1-CZ3 3.26Å; F528-W1062 HydrophobicContact CE1-CZ3 3.26Å; F528-W1062 HydrophobicContact CE2-CZ3 4.04Å; F528-W1062 HydrophobicContact CG-CZ3 4.46Å; F528-W1062 AromaticContact CZ-CE3 3.74Å; F528-W1062 HydrophobicContact CZ-CE3 3.74Å; F528-W1062 AromaticContact CZ-CZ3 3.38Å; F528-W1062 HydrophobicContact CZ-CZ3 3.38Å
529R92.5Very high89.2Confident3 Ų331.7 Ų31.71%0.01115%0.147CC..Hα-helixtrans-61.2-34.2176.9-65.1-54.6-171.2-166.8-1.3112.9I498 L513 R525 L526 E532 C533 E1059I498-R529 HydrophobicContact CD1-CB 4.4Å; I498-R529 HydrophobicContact CD1-CG 3.78Å; L513-R529 HydrophobicContact CD1-CB 4.05Å; R525-R529 HydrophobicContact CG-CG 4.48Å; R525-R529 WeakPolarHBondContact O-CG 3.31Å; R525-R529 PolarHBondContact O-N 3.42Å; L526-R529 PolarHBondContact O-N 3.4Å; R529-E532 WeakPolarHBondContact CD-OE2 3.34Å; R529-E532 IonicContact CZ-OE2 2.65Å; R529-E532 IonicContact NE-OE2 3.36Å; R529-E532 IonicContact NH1-OE1 3.65Å; R529-E532 PolarHBondContact NH1-OE1 3.44Å; R529-E532 IonicContact NH1-OE2 3.33Å; R529-E532 PolarHBondContact NH1-OE2 3.37Å; R529-E532 PolarHBondContact O-N 3.4Å; R529-C533 PolarHBondContact O-N 3.29Å; R529-C533 PolarHBondContact O-SG 3.3Å; R529-E1059 IonicContact CZ-OE1 2.93Å; R529-E1059 IonicContact NE-OE1 2.79Å; R529-E1059 PolarHBondContact NE-OE1 2.98Å; R529-E1059 IonicContact NH2-OE1 3.88Å; R529-E1059 PolarHBondContact NH2-OE1 3.07Å
530L94Very high88.5Confident0 Ų032.6 Ų32.60%016%0.156CC..Hα-helixtrans-66.8-38.3173.6-72.3171.1000112.6F510 L513 V517 L526 W527 F528 C533 C534 F593F510-L530 HydrophobicContact CD2-CD2 3.84Å; F510-L530 HydrophobicContact CE2-CD2 4.07Å; F510-L530 HydrophobicContact CG-CD2 4.44Å; L513-L530 HydrophobicContact CB-CD2 3.76Å; L513-L530 HydrophobicContact CB-CG 4.46Å; V517-L530 HydrophobicContact CG2-CD1 3.32Å; L526-L530 PolarHBondContact O-N 3.06Å; W527-L530 HydrophobicContact CE3-CD1 4.21Å; W527-L530 HydrophobicContact CZ3-CD1 4.49Å; W527-L530 PolarHBondContact O-N 3.26Å; F528-L530 VanDerWaalsContact C-N 3.28Å; F528-L530 PolarHBondContact O-N 2.81Å; L530-C533 WeakPolarHBondContact O-CB 3.45Å; L530-C533 PolarHBondContact O-N 2.93Å; L530-C534 PolarHBondContact O-N 3.33Å; L530-C534 PolarHBondContact O-SG 2.98Å; L530-F593 HydrophobicContact CB-CE1 4.12Å; L530-F593 HydrophobicContact CD1-CE1 4.45Å; L530-F593 HydrophobicContact CD1-CZ 4.49Å
531A94.3Very high87.6Confident0 Ų034.3 Ų34.30%017%0.165CC..Hα-helixtrans-63.9-41.8173.300000111.5W527 F528 C533 C534 I535 A594 A597 L598W527-A531 PolarHBondContact O-N 2.95Å; F528-A531 WeakPolarHBondContact O-CB 3.4Å; F528-A531 PolarHBondContact O-N 3.04Å; A531-C533 VanDerWaalsContact C-N 3.31Å; A531-C533 PolarHBondContact O-N 3.25Å; A531-C534 WeakPolarHBondContact O-CB 3.41Å; A531-C534 PolarHBondContact O-N 3.31Å; A531-C534 VanDerWaalsContact O-N 3.1Å; A531-I535 WeakPolarHBondContact O-CG1 3.19Å; A531-I535 PolarHBondContact O-N 2.96Å; A531-A594 HydrophobicContact CB-CB 4.23Å; A531-A597 HydrophobicContact CB-CB 4.19Å; A531-L598 HydrophobicContact CB-CD1 4.12Å; A531-L598 HydrophobicContact CB-CD2 3.7Å; A531-L598 HydrophobicContact CB-CG 3.53Å
532E89.6Confident86.7Confident12 Ų1233.8 Ų33.86%0.05616%0.159CC..Hα-helixtrans-58.6-41.5173.9-68.9-175.6137.700112.2L501 F528 R529 C534 I535 K536 P1063L501-E532 HydrophobicContact CD2-CB 4.02Å; F528-E532 HydrophobicContact CD1-CG 4.15Å; F528-E532 HydrophobicContact CE1-CG 3.59Å; F528-E532 WeakPolarHBondContact CE1-OE1 3.41Å; F528-E532 HydrophobicContact CZ-CG 3.98Å; F528-E532 PolarHBondContact O-N 3.39Å; R529-E532 WeakPolarHBondContact CD-OE2 3.34Å; R529-E532 IonicContact CZ-OE2 2.65Å; R529-E532 IonicContact NE-OE2 3.36Å; R529-E532 IonicContact NH1-OE1 3.65Å; R529-E532 PolarHBondContact NH1-OE1 3.44Å; R529-E532 IonicContact NH1-OE2 3.33Å; R529-E532 PolarHBondContact NH1-OE2 3.37Å; R529-E532 PolarHBondContact O-N 3.4Å; E532-C534 VanDerWaalsContact C-N 3.28Å; E532-C534 PolarHBondContact O-N 3.42Å; E532-I535 PolarHBondContact O-N 3.44Å; E532-K536 VanDerWaalsContact O-CB 3.29Å; E532-K536 WeakPolarHBondContact O-CB 3.49Å; E532-K536 PolarHBondContact O-N 3.24Å; E532-P1063 WeakPolarHBondContact OE1-CD 3.46Å; E532-P1063 WeakPolarHBondContact OE1-CG 3.4Å
533C92.6Very high86.1Confident0 Ų024.5 Ų24.50%013%0.125CC..Hα-helixtrans-58.2-43.1175.1-64.60000111.5L501 P506 F510 R529 L530 A531 L537L501-C533 HydrophobicContact CD1-CB 4.46Å; P506-C533 WeakPolarHBondContact CB-O 3.43Å; F510-C533 HydrophobicContact CB-CB 3.93Å; F510-C533 HydrophobicContact CD2-CB 4.1Å; R529-C533 PolarHBondContact O-N 3.29Å; R529-C533 PolarHBondContact O-SG 3.3Å; L530-C533 WeakPolarHBondContact O-CB 3.45Å; L530-C533 PolarHBondContact O-N 2.93Å; A531-C533 VanDerWaalsContact C-N 3.31Å; A531-C533 PolarHBondContact O-N 3.25Å; C533-L537 WeakPolarHBondContact O-CB 3.32Å; C533-L537 PolarHBondContact O-N 2.88Å
534C91.8Very high85.4Confident0 Ų026.6 Ų26.60%014%0.14CC..Hα-helixtrans-65.9-48.6178.3-600000111.2L530 A531 E532 K536 L537 H538 S590 A594L530-C534 PolarHBondContact O-N 3.33Å; L530-C534 PolarHBondContact O-SG 2.98Å; A531-C534 WeakPolarHBondContact O-CB 3.41Å; A531-C534 PolarHBondContact O-N 3.31Å; A531-C534 VanDerWaalsContact O-N 3.1Å; E532-C534 VanDerWaalsContact C-N 3.28Å; E532-C534 PolarHBondContact O-N 3.42Å; C534-K536 VanDerWaalsContact C-N 3.32Å; C534-K536 PolarHBondContact O-N 2.92Å; C534-L537 PolarHBondContact O-N 3.17Å; C534-H538 PolarHBondContact O-CD2 3Å; C534-H538 PolarHBondContact O-N 2.96Å; C534-H538 VanDerWaalsContact O-N 3.1Å; C534-S590 WeakPolarHBondContact CB-O 3.45Å; C534-A594 HydrophobicContact CB-CB 3.57Å
535I89.4Confident84.6Confident9 Ų929 Ų295%0.04615%0.152CC..Hα-helixtrans-56.7-48.5178-69166.2000110.4A531 E532 L537 H538 C539 N663 Y666 V667 L1065A531-I535 WeakPolarHBondContact O-CG1 3.19Å; A531-I535 PolarHBondContact O-N 2.96Å; E532-I535 PolarHBondContact O-N 3.44Å; I535-L537 VanDerWaalsContact C-N 3.29Å; I535-L537 PolarHBondContact O-N 2.74Å; I535-H538 PolarHBondContact O-N 2.85Å; I535-C539 PolarHBondContact O-N 3.29Å; I535-N663 HydrophobicContact CD1-CB 4.31Å; I535-N663 WeakPolarHBondContact CD1-OD1 3.32Å; I535-Y666 HydrophobicContact CD1-CD1 4.27Å; I535-Y666 HydrophobicContact CG1-CD1 4.24Å; I535-Y666 HydrophobicContact CG1-CE1 4.29Å; I535-Y666 HydrophobicContact CG2-CD1 4.13Å; I535-Y666 HydrophobicContact CG2-CE1 3.67Å; I535-V667 HydrophobicContact CD1-CG2 3.65Å; I535-V667 HydrophobicContact CG1-CG2 3.71Å; I535-L1065 HydrophobicContact CG2-CD2 3.91Å
536K84.1Confident84.3Confident56 Ų5629 Ų2924%0.24315%0.152CC..Hα-helixtrans-66.3-30.2-178.5-170.157.3168.9177.60113.1L501 N504 P506 E532 C534 C539 P540L501-K536 HydrophobicContact CD1-CB 4.36Å; N504-K536 WeakPolarHBondContact OD1-CE 3.37Å; P506-K536 HydrophobicContact CB-CB 4.15Å; P506-K536 HydrophobicContact CB-CG 4.31Å; P506-K536 HydrophobicContact CG-CG 4.35Å; E532-K536 VanDerWaalsContact O-CB 3.29Å; E532-K536 WeakPolarHBondContact O-CB 3.49Å; E532-K536 PolarHBondContact O-N 3.24Å; C534-K536 VanDerWaalsContact C-N 3.32Å; C534-K536 PolarHBondContact O-N 2.92Å; K536-C539 CarbonylContact O-C 3.5Å; K536-P540 PolarHBondContact NZ-O 2.81Å; K536-P540 WeakPolarHBondContact O-CA 3.47Å
537L87.4Confident83.6Confident59 Ų5931.8 Ų31.831%0.30917%0.167SC..Hα-helixtrans-69.7-45.8175.4-179.363.9000112.1P506 S507 C533 C534 I535 P589P506-L537 HydrophobicContact CB-CB 4.19Å; P506-L537 HydrophobicContact CG-CB 4.09Å; P506-L537 HydrophobicContact CG-CD1 4.14Å; S507-L537 WeakPolarHBondContact OG-CD1 3.39Å; C533-L537 WeakPolarHBondContact O-CB 3.32Å; C533-L537 PolarHBondContact O-N 2.88Å; C534-L537 PolarHBondContact O-N 3.17Å; I535-L537 VanDerWaalsContact C-N 3.29Å; I535-L537 PolarHBondContact O-N 2.74Å; L537-P589 HydrophobicContact CD2-CB 3.71Å; L537-P589 HydrophobicContact CD2-CG 3.42Å; L537-P589 VanDerWaalsContact CD2-CG 3.42Å
538H82.9Confident82.6Confident71 Ų7133 Ų3333%0.32918%0.175SC..Hα-helixtrans-78.4-27.7-178.2-72.8-74.7000112.7C534 I535 P589 M591C534-H538 PolarHBondContact O-CD2 3Å; C534-H538 PolarHBondContact O-N 2.96Å; C534-H538 VanDerWaalsContact O-N 3.1Å; I535-H538 PolarHBondContact O-N 2.85Å; H538-P589 PolarHBondContact NE2-O 3.37Å; H538-M591 HydrophobicContact CB-CE 4.04Å
539C77.7Confident81.6Confident36 Ų3638 Ų3824%0.24320%0.198CC..  trans-129.175.7179.8-69.30000110.6I535 K536 H541 Y666I535-C539 PolarHBondContact O-N 3.29Å; K536-C539 CarbonylContact O-C 3.5Å; C539-H541 VanDerWaalsContact C-N 3.32Å; C539-H541 PolarHBondContact O-N 3.28Å; C539-Y666 WeakPolarHBondContact CB-OH 3.25Å; C539-Y666 PolarHBondContact SG-OH 3.46Å
540P66.4Low80.8Confident68 Ų6838 Ų3844%0.44220%0.198SC..SBendtrans-67.7-31.7-17525.3-34.1000113.1K536K536-P540 PolarHBondContact NZ-O 2.81Å; K536-P540 WeakPolarHBondContact O-CA 3.47Å
541H66.6Low80Confident87 Ų8738.4 Ų38.440%0.40320%0.2SC..  trans-148.7141.9-179.456.471.2000112.7C539 L543 S544C539-H541 VanDerWaalsContact C-N 3.32Å; C539-H541 PolarHBondContact O-N 3.28Å; H541-L543 PolarHBondContact O-N 2.68Å; H541-S544 VanDerWaalsContact CE1-CA 3.48Å; H541-S544 WeakPolarHBondContact CE1-CA 3.28Å; H541-S544 VanDerWaalsContact CE1-CB 3.48Å; H541-S544 WeakPolarHBondContact CE1-CB 3.49Å; H541-S544 PolarHBondContact ND1-N 2.86Å
542N69.1Low79.1Confident57 Ų5745.1 Ų45.131%0.30523%0.229SC..THydrogen-bonded Turntrans-75.6-6.8177.9-63.1-13.4000113.2F815 L1065N542-F815 PolarHBondContact ND2-O 3.48Å; N542-L1065 PolarHBondContact ND2-OXT 3.09Å
543L76.1Confident78.5Confident10 Ų1051.9 Ų51.95%0.05225%0.254CS..THydrogen-bonded Turntrans-93.69.4-175.4-60-174.4000114.9H541 L545 W546 V813 F815 I856 L861H541-L543 PolarHBondContact O-N 2.68Å; L543-L545 PolarHBondContact O-N 3.24Å; L543-L545 VanDerWaalsContact O-N 3.1Å; L543-W546 HydrophobicContact CB-CE3 4.47Å; L543-W546 HydrophobicContact CD2-CD2 4.24Å; L543-W546 HydrophobicContact CD2-CE3 3.84Å; L543-W546 HydrophobicContact CD2-CZ3 4.08Å; L543-W546 PolarHBondContact O-N 2.79Å; L543-V813 HydrophobicContact CD1-CB 4.1Å; L543-V813 WeakPolarHBondContact CD1-O 3.03Å; L543-F815 HydrophobicContact CD2-CB 3.66Å; L543-F815 HydrophobicContact CD2-CG 4.25Å; L543-I856 HydrophobicContact CD1-CD1 4.47Å; L543-I856 HydrophobicContact CD2-CD1 3.32Å; L543-L861 HydrophobicContact CB-CD1 3.66Å; L543-L861 HydrophobicContact CD1-CD1 3.95Å; L543-L861 HydrophobicContact CG-CD1 4.43Å
544S75.1Confident77.7Confident47 Ų4751.9 Ų51.933%0.32925%0.254SS..G310 helixtrans-58-30.8-176.664.30000112.9H541 W546 N547 S550H541-S544 VanDerWaalsContact CE1-CA 3.48Å; H541-S544 WeakPolarHBondContact CE1-CA 3.28Å; H541-S544 VanDerWaalsContact CE1-CB 3.48Å; H541-S544 WeakPolarHBondContact CE1-CB 3.49Å; H541-S544 PolarHBondContact ND1-N 2.86Å; S544-W546 VanDerWaalsContact C-N 3.35Å; S544-N547 PolarHBondContact O-N 3.28Å; S544-S550 WeakPolarHBondContact O-CB 3.31Å; S544-S550 PolarHBondContact O-OG 3.3Å
545L77.4Confident77Confident49 Ų4953.4 Ų53.426%0.25726%0.262SS..G310 helixtrans-74-20.1177.8-62.7177.7000113.8L543 S550 P886 T887 T888L543-L545 PolarHBondContact O-N 3.24Å; L543-L545 VanDerWaalsContact O-N 3.1Å; L545-S550 PolarHBondContact O-OG 3.4Å; L545-P886 HydrophobicContact CB-CB 3.83Å; L545-P886 CarbonylContact O-C 3.57Å; L545-P886 VanDerWaalsContact O-CA 3.31Å; L545-P886 WeakPolarHBondContact O-CA 3.47Å; L545-T887 PolarHBondContact O-N 3.33Å; L545-T887 PolarHBondContact O-OG1 3.48Å; L545-T887 VanDerWaalsContact O-OG1 3.07Å; L545-T888 HydrophobicContact CD1-CG2 4.03Å; L545-T888 HydrophobicContact CD2-CG2 4.16Å
546W82.2Confident76.5Confident10 Ų1056.9 Ų56.94%0.03828%0.283CS..G310 helixtrans-82.7-17.5174.4-79.4-101.8000112.5L543 S544 F815 L854 I856 L861 L884 P886L543-W546 HydrophobicContact CB-CE3 4.47Å; L543-W546 HydrophobicContact CD2-CD2 4.24Å; L543-W546 HydrophobicContact CD2-CE3 3.84Å; L543-W546 HydrophobicContact CD2-CZ3 4.08Å; L543-W546 PolarHBondContact O-N 2.79Å; S544-W546 VanDerWaalsContact C-N 3.35Å; W546-F815 AromaticContact CH2-CD1 3.75Å; W546-F815 HydrophobicContact CH2-CD1 3.75Å; W546-F815 HydrophobicContact CH2-CD2 4.23Å; W546-F815 AromaticContact CH2-CE1 3.58Å; W546-F815 HydrophobicContact CH2-CE1 3.58Å; W546-F815 HydrophobicContact CH2-CE2 4.07Å; W546-F815 HydrophobicContact CH2-CG 4.08Å; W546-F815 AromaticContact CH2-CZ 3.75Å; W546-F815 HydrophobicContact CH2-CZ 3.75Å; W546-F815 HydrophobicContact CZ2-CD2 4.32Å; W546-F815 HydrophobicContact CZ2-CE1 4.21Å; W546-F815 AromaticContact CZ2-CE2 3.94Å; W546-F815 HydrophobicContact CZ2-CE2 3.94Å; W546-F815 AromaticContact CZ2-CZ 3.89Å; W546-F815 HydrophobicContact CZ2-CZ 3.89Å; W546-F815 HydrophobicContact CZ3-CD1 4.34Å; W546-L854 WeakPolarHBondContact CZ2-O 3.49Å; W546-L854 PolarHBondContact NE1-O 2.83Å; W546-I856 HydrophobicContact CD2-CD1 3.86Å; W546-I856 HydrophobicContact CE3-CD1 4.48Å; W546-I856 HydrophobicContact CG-CD1 4.15Å; W546-I856 HydrophobicContact CZ2-CD1 3.88Å; W546-I856 HydrophobicContact CZ2-CG1 4.43Å; W546-L861 HydrophobicContact CB-CD1 3.92Å; W546-L861 HydrophobicContact CB-CD2 4.19Å; W546-L884 VanDerWaalsContact CD1-O 3.24Å; W546-L884 PolarHBondContact NE1-O 2.73Å; W546-P886 HydrophobicContact CD2-CB 3.78Å; W546-P886 HydrophobicContact CD2-CG 4.36Å; W546-P886 HydrophobicContact CE3-CB 3.89Å; W546-P886 HydrophobicContact CG-CB 4.41Å; W546-P886 HydrophobicContact CH2-CB 4.01Å; W546-P886 HydrophobicContact CH2-CG 4.01Å; W546-P886 HydrophobicContact CZ2-CB 3.89Å; W546-P886 HydrophobicContact CZ2-CG 3.63Å; W546-P886 HydrophobicContact CZ3-CB 4.01Å
547N76Confident76.1Confident58 Ų5859.2 Ų59.231%0.3130%0.295SS..SBendtrans-74.7145.8-174.4-161.14.1000112.9S544 E549 S550S544-N547 PolarHBondContact O-N 3.28Å; N547-E549 VanDerWaalsContact C-N 3.27Å; N547-E549 PolarHBondContact ND2-OE2 3.09Å; N547-E549 PolarHBondContact O-N 2.79Å; N547-E549 PolarHBondContact OD1-OE2 3.03Å; N547-S550 WeakPolarHBondContact O-CB 3.22Å; N547-S550 PolarHBondContact O-N 3.44Å; N547-S550 PolarHBondContact O-OG 3.38Å
548M74.5Confident75.7Confident60 Ų6059.4 Ų59.430%0.29630%0.299SS..Hα-helixtrans-63.9-29.7-178-66.6-63.6-179.800112.5S550 R551 K552 L884M548-S550 VanDerWaalsContact C-N 3.26Å; M548-S550 PolarHBondContact O-N 3.17Å; M548-R551 WeakPolarHBondContact O-CB 3.38Å; M548-R551 PolarHBondContact O-N 3.05Å; M548-R551 VanDerWaalsContact O-N 3.16Å; M548-R551 PolarHBondContact SD-NH1 3.03Å; M548-K552 PolarHBondContact O-N 3.28Å; M548-L884 HydrophobicContact CE-CD2 3.53Å
549E75Confident75.5Confident107 Ų10760.8 Ų60.850%0.530%0.304SS..Hα-helixtrans-60.5-35.3173.4-72.871.6-155.800112.1N547 R551 K552 R553N547-E549 VanDerWaalsContact C-N 3.27Å; N547-E549 PolarHBondContact ND2-OE2 3.09Å; N547-E549 PolarHBondContact O-N 2.79Å; N547-E549 PolarHBondContact OD1-OE2 3.03Å; E549-R551 VanDerWaalsContact C-N 3.33Å; E549-R551 PolarHBondContact O-N 2.65Å; E549-K552 PolarHBondContact O-N 3.44Å; E549-R553 WeakPolarHBondContact O-CG 3.36Å; E549-R553 PolarHBondContact O-N 3.33Å
550S74.7Confident75.5Confident1 Ų162 Ų621%0.00732%0.323CS..Hα-helixtrans-65.3-38.5176.974.90000111.6S544 L545 N547 M548 R553 C554 V572 T887S544-S550 WeakPolarHBondContact O-CB 3.31Å; S544-S550 PolarHBondContact O-OG 3.3Å; L545-S550 PolarHBondContact O-OG 3.4Å; N547-S550 WeakPolarHBondContact O-CB 3.22Å; N547-S550 PolarHBondContact O-N 3.44Å; N547-S550 PolarHBondContact O-OG 3.38Å; M548-S550 VanDerWaalsContact C-N 3.26Å; M548-S550 PolarHBondContact O-N 3.17Å; S550-R553 PolarHBondContact O-N 3.05Å; S550-C554 PolarHBondContact O-N 3.32Å; S550-C554 PolarHBondContact O-SG 3.14Å; S550-C554 VanDerWaalsContact O-SG 3.36Å; S550-V572 WeakPolarHBondContact O-CG2 2.8Å; S550-T887 PolarHBondContact OG-OG1 3.08Å
551R77.4Confident76Confident9 Ų962.5 Ų62.53%0.03433%0.328CS..Hα-helixtrans-68-40.8174.7-60.9179-170.9170.21.2111.6M548 E549 R553 C554 L885 T887 F914 L917M548-R551 WeakPolarHBondContact O-CB 3.38Å; M548-R551 PolarHBondContact O-N 3.05Å; M548-R551 VanDerWaalsContact O-N 3.16Å; M548-R551 PolarHBondContact SD-NH1 3.03Å; E549-R551 VanDerWaalsContact C-N 3.33Å; E549-R551 PolarHBondContact O-N 2.65Å; R551-R553 VanDerWaalsContact C-N 3.32Å; R551-R553 PolarHBondContact O-N 2.86Å; R551-C554 WeakPolarHBondContact O-CB 3.38Å; R551-C554 PolarHBondContact O-N 2.98Å; R551-C554 VanDerWaalsContact O-N 3.17Å; R551-L885 PolarHBondContact NH2-O 3.4Å; R551-T887 HydrophobicContact CG-CG2 4.3Å; R551-T887 WeakPolarHBondContact CG-OG1 3.32Å; R551-F914 HydrophobicContact CB-CD1 4.46Å; R551-F914 HydrophobicContact CB-CE1 4.02Å; R551-F914 WeakPolarHBondContact O-CE1 3.44Å; R551-L917 HydrophobicContact CB-CD1 3.93Å
552K76Confident76.1Confident142 Ų14260.5 Ų60.562%0.61733%0.33SS*.Hα-helixtrans-59.4-42.3174.8-171.6-180177.7-176.50111.7M548 E549 C554 I555 L917M548-K552 PolarHBondContact O-N 3.28Å; E549-K552 PolarHBondContact O-N 3.44Å; K552-C554 PolarHBondContact O-N 3.4Å; K552-I555 PolarHBondContact O-N 3.47Å; K552-I555 VanDerWaalsContact O-N 3.15Å; K552-L917 HydrophobicContact CB-CD1 4.32Å; K552-L917 HydrophobicContact CB-CD2 4.17Å; K552-L917 HydrophobicContact CG-CD2 4.36Å
553R77Confident76.1Confident154 Ų15463 Ų6358%0.58135%0.353SS*.Hα-helixtrans-64-22.9177.1-74.9-170-65.1-128.32.8114.3E549 S550 R551 I555E549-R553 WeakPolarHBondContact O-CG 3.36Å; E549-R553 PolarHBondContact O-N 3.33Å; S550-R553 PolarHBondContact O-N 3.05Å; R551-R553 VanDerWaalsContact C-N 3.32Å; R551-R553 PolarHBondContact O-N 2.86Å; R553-I555 VanDerWaalsContact C-N 3.26Å; R553-I555 PolarHBondContact O-N 3.4Å
554C76.2Confident76Confident0 Ų070.4 Ų70.40%039%0.385CS..Hα-helixtrans-68.7-27.8175.1-62.60000112.4S550 R551 K552 V556 L569 A570 V572 T887 F914S550-C554 PolarHBondContact O-N 3.32Å; S550-C554 PolarHBondContact O-SG 3.14Å; S550-C554 VanDerWaalsContact O-SG 3.36Å; R551-C554 WeakPolarHBondContact O-CB 3.38Å; R551-C554 PolarHBondContact O-N 2.98Å; R551-C554 VanDerWaalsContact O-N 3.17Å; K552-C554 PolarHBondContact O-N 3.4Å; C554-V556 PolarHBondContact O-N 3.49Å; C554-L569 HydrophobicContact CB-CD2 4.49Å; C554-L569 CarbonylContact O-C 3.52Å; C554-L569 VanDerWaalsContact O-CA 3.25Å; C554-L569 WeakPolarHBondContact O-CA 3.34Å; C554-A570 WeakPolarHBondContact CA-O 3.21Å; C554-A570 PolarHBondContact O-N 3.22Å; C554-V572 WeakPolarHBondContact SG-CG2 3.29Å; C554-T887 WeakPolarHBondContact SG-CG2 3.19Å; C554-F914 HydrophobicContact CB-CE1 3.91Å; C554-F914 HydrophobicContact CB-CZ 4.43Å
555I76.3Confident76.1Confident31 Ų3171.3 Ų71.316%0.15938%0.381CS..EExtended strand (participates in β ladder)trans-82101.2-178.2-55.5174.3000107.6K552 R553 T558 L569 F914 L917K552-I555 PolarHBondContact O-N 3.47Å; K552-I555 VanDerWaalsContact O-N 3.15Å; R553-I555 VanDerWaalsContact C-N 3.26Å; R553-I555 PolarHBondContact O-N 3.4Å; I555-T558 HydrophobicContact CG2-CG2 3.75Å; I555-L569 HydrophobicContact CG1-CD2 4.11Å; I555-F914 HydrophobicContact CD1-CB 4.39Å; I555-F914 HydrophobicContact CD1-CD1 4.12Å; I555-F914 HydrophobicContact CG1-CD1 4.03Å; I555-L917 HydrophobicContact CD1-CB 3.58Å; I555-L917 HydrophobicContact CD1-CD1 4.09Å; I555-L917 HydrophobicContact CD1-CG 4.48Å
556V78.3Confident76Confident82 Ų8276.1 Ų76.150%0.49740%0.4SS..EExtended strand (participates in β ladder)trans-74.3-52.9177.5-179.20000109.9C554 S568 A570C554-V556 PolarHBondContact O-N 3.49Å; V556-S568 PolarHBondContact N-O 3.48Å; V556-A570 HydrophobicContact CG2-CB 3.22Å
557E76.8Confident75.7Confident106 Ų10678 Ų7850%0.49541%0.41SS..EExtended strand (participates in β ladder)trans-148152.5-175.8-79.6-178.8-179.800110.6F559 S568E557-F559 HydrophobicContact CB-CE1 4.39Å; E557-F559 HydrophobicContact CB-CE2 4.11Å; E557-F559 HydrophobicContact CB-CZ 3.89Å; E557-F559 WeakPolarHBondContact OE2-CE1 3.3Å; E557-F559 WeakPolarHBondContact OE2-CZ 3.32Å; E557-S568 PolarHBondContact O-N 3.45Å
558T77.7Confident75.9Confident62 Ų6277.3 Ų77.338%0.3841%0.41SS..EExtended strand (participates in β ladder)trans-122.6119.8171.760.80000109.2I555 K566 L567I555-T558 HydrophobicContact CG2-CG2 3.75Å; T558-K566 CarbonylContact C-O 3.57Å; T558-K566 WeakPolarHBondContact CA-O 3.49Å; T558-L567 HydrophobicContact CG2-CD2 3.51Å
559F79Confident75.9Confident101 Ų10177.2 Ų77.244%0.44341%0.41SS..EExtended strand (participates in β ladder)trans-103.4152178.3-49.8-82.8000111E557 R565 K566E557-F559 HydrophobicContact CB-CE1 4.39Å; E557-F559 HydrophobicContact CB-CE2 4.11Å; E557-F559 HydrophobicContact CB-CZ 3.89Å; E557-F559 WeakPolarHBondContact OE2-CE1 3.3Å; E557-F559 WeakPolarHBondContact OE2-CZ 3.32Å; F559-R565 CarbonylContact O-C 3.49Å; F559-R565 VanDerWaalsContact O-CA 3.24Å; F559-R565 WeakPolarHBondContact O-CA 3.39Å; F559-R565 WeakPolarHBondContact O-CG 3.17Å; F559-K566 HydrophobicContact CB-CB 4.23Å; F559-K566 HydrophobicContact CD2-CB 4.27Å; F559-K566 PolarHBondContact N-O 3.01Å; F559-K566 PolarHBondContact O-N 2.89Å
560G77.6Confident75.8Confident62 Ų6274.1 Ų74.164%0.63940%0.403SS*.SBendtrans67.9-173.4172.400000114.5
561S76.9Confident75.4Confident78 Ų7878.9 Ų78.955%0.54544%0.436SS..  trans-147160.6-177.375.90000111.7S563 F564S561-S563 PolarHBondContact O-N 2.99Å; S561-F564 PolarHBondContact O-N 2.83Å
562G68.3Low74.6Confident44 Ų4479.4 Ų79.445%0.45444%0.441SS..G310 helixtrans60-135.7-179.200000112.8F564 R565G562-F564 PolarHBondContact O-N 3.21Å; G562-R565 WeakPolarHBondContact O-CB 3.47Å; G562-R565 PolarHBondContact O-N 3.39Å
563S69.7Low73.3Confident110 Ų11078.4 Ų78.477%0.76944%0.442SS*.G310 helixtrans-67-16.1177.546.20000114.3S561S561-S563 PolarHBondContact O-N 2.99Å
564F75.1Confident71.9Confident166 Ų16675 Ų7573%0.72844%0.44SS*.G310 helixtrans-99.712180-57.9-73.4000113S561 G562 K566S561-F564 PolarHBondContact O-N 2.83Å; G562-F564 PolarHBondContact O-N 3.21Å; F564-K566 PolarHBondContact O-N 3.08Å
565R75.9Confident70.3Confident65 Ų6582.1 Ų82.125%0.24547%0.473CS..  trans-67.7130.8177.5-175.3-178.3-71.6167.6-3.8110.5F559 G562 L567 A918 M919F559-R565 CarbonylContact O-C 3.49Å; F559-R565 VanDerWaalsContact O-CA 3.24Å; F559-R565 WeakPolarHBondContact O-CA 3.39Å; F559-R565 WeakPolarHBondContact O-CG 3.17Å; G562-R565 WeakPolarHBondContact O-CB 3.47Å; G562-R565 PolarHBondContact O-N 3.39Å; R565-L567 HydrophobicContact CG-CD2 4.44Å; R565-A918 PolarHBondContact NH1-O 2.88Å; R565-A918 VanDerWaalsContact NH1-O 3.1Å; R565-M919 PolarHBondContact NH1-SD 3.29Å
566K76.5Confident68.8Low150 Ų15083.2 Ų83.265%0.65248%0.481SS*.EExtended strand (participates in β ladder)trans-114.9140.1174.1-55.1-178.3177.8-177.60109.5T558 F559 F564T558-K566 CarbonylContact C-O 3.57Å; T558-K566 WeakPolarHBondContact CA-O 3.49Å; F559-K566 HydrophobicContact CB-CB 4.23Å; F559-K566 HydrophobicContact CD2-CB 4.27Å; F559-K566 PolarHBondContact N-O 3.01Å; F559-K566 PolarHBondContact O-N 2.89Å; F564-K566 PolarHBondContact O-N 3.08Å
567L75.2Confident66.8Low50 Ų5083.4 Ų83.426%0.26248%0.483SS..EExtended strand (participates in β ladder)trans-110.7125.9176.4-56.6177.9000108.5T558 R565 I910 A918T558-L567 HydrophobicContact CG2-CD2 3.51Å; R565-L567 HydrophobicContact CG-CD2 4.44Å; L567-I910 HydrophobicContact CD1-CG2 3.71Å; L567-A918 HydrophobicContact CD1-CB 4.41Å; L567-A918 HydrophobicContact CD2-CB 3.75Å
568S79.4Confident64.9Low44 Ų4486 Ų8631%0.30849%0.492SS..EExtended strand (participates in β ladder)trans-88.1112167.1-171.80000108.2V556 E557V556-S568 PolarHBondContact N-O 3.48Å; E557-S568 PolarHBondContact O-N 3.45Å
569L75.4Confident63Low57 Ų5785.6 Ų85.630%0.29849%0.492SS..EExtended strand (participates in β ladder)trans-101.9128.5175.9-60.6176.3000108.9C554 I555 F914C554-L569 HydrophobicContact CB-CD2 4.49Å; C554-L569 CarbonylContact O-C 3.52Å; C554-L569 VanDerWaalsContact O-CA 3.25Å; C554-L569 WeakPolarHBondContact O-CA 3.34Å; I555-L569 HydrophobicContact CG1-CD2 4.11Å; L569-F914 HydrophobicContact CD2-CD1 4.39Å; L569-F914 HydrophobicContact CD2-CE1 4.44Å
570A73.3Confident61.1Low43 Ų4389.8 Ų89.836%0.35551%0.51SS..  trans-117.9161.1167.900000111.3C554 V556C554-A570 WeakPolarHBondContact CA-O 3.21Å; C554-A570 PolarHBondContact O-N 3.22Å; V556-A570 HydrophobicContact CG2-CB 3.22Å
571S65.6Low59.4Low100 Ų10092.4 Ų92.470%0.69951%0.513SS*.  trans-59.3137.1173.2-175.60000110.5N573S571-N573 VanDerWaalsContact C-N 3.26Å; S571-N573 PolarHBondContact O-N 3.35Å
572V59.7Low57.6Low21 Ų2194 Ų9413%0.12752%0.516CS..  trans-70.493.4159.4-170.10000105.6S550 C554 P574 T887S550-V572 WeakPolarHBondContact O-CG2 2.8Å; C554-V572 WeakPolarHBondContact SG-CG2 3.29Å; V572-P574 WeakPolarHBondContact O-CD 3.35Å; V572-T887 HydrophobicContact CG2-CG2 4.14Å
573N48.8Very low56.6Low121 Ų12199 Ų9965%0.64753%0.532SS*.  trans-74.8110.3153.5-159.8-7.3000104.7S571 Q575S571-N573 VanDerWaalsContact C-N 3.26Å; S571-N573 PolarHBondContact O-N 3.35Å; N573-Q575 PolarHBondContact O-N 3.19Å
574P49.3Very low55.6Low83 Ų8399.8 Ų99.854%0.53953%0.532SS..  trans-61.298.3157.328.2-28000103.1V572 V576V572-P574 WeakPolarHBondContact O-CD 3.35Å; P574-V576 PolarHBondContact O-N 2.94Å
575Q42Very low54.4Low149 Ų14994.7 Ų94.770%0.69651%0.513SS*.  trans-6192.8165.1-66.2-152.16.900104.5N573 T577N573-Q575 PolarHBondContact O-N 3.19Å; Q575-T577 HydrophobicContact CB-CG2 4.45Å; Q575-T577 PolarHBondContact O-N 2.97Å
576V44.3Very low53.6Low54 Ų5497.2 Ų97.233%0.32753%0.53SS..  trans-54.493.4141.3-178.20000101P574 K578P574-V576 PolarHBondContact O-N 2.94Å; V576-K578 PolarHBondContact O-N 3.49Å
577T36.7Very low53.2Low85 Ų8595 Ų9552%0.52153%0.534SS..  trans-53.4110.2-175.142.10000105.2Q575 S579Q575-T577 HydrophobicContact CB-CG2 4.45Å; Q575-T577 PolarHBondContact O-N 2.97Å; T577-S579 PolarHBondContact O-N 3.35Å
578K35.8Very low53.4Low160 Ų16094.1 Ų94.170%0.69653%0.532SS*.  trans-62.280.9155.4-78.1-172.2175-173.30104.7V576 K580V576-K578 PolarHBondContact O-N 3.49Å; K578-K580 PolarHBondContact O-N 3.11Å; K578-K580 VanDerWaalsContact O-N 3.15Å
579S38.6Very low53.7Low54 Ų5493.5 Ų93.538%0.37853%0.527SS..  trans-55.7121.1163.344.40000104.6T577 V581T577-S579 PolarHBondContact O-N 3.35Å; S579-V581 PolarHBondContact O-N 3.42Å
580K39.7Very low54.5Low189 Ų18991.4 Ų91.482%0.82252%0.517SS*.  trans-47.3128.6174-75.7177.5175.3178.80107.6K578 D582K578-K580 PolarHBondContact O-N 3.11Å; K578-K580 VanDerWaalsContact O-N 3.15Å; K580-D582 PolarHBondContact O-N 3.19Å
581V41.8Very low55.3Low117 Ų11789.4 Ų89.471%0.70950%0.5SS*.  trans-61.597.7-179-179.80000107.6S579S579-V581 PolarHBondContact O-N 3.42Å
582D39.5Very low56.5Low112 Ų11287.7 Ų87.760%0.59948%0.481SS*.  trans-94.6127.2156.6-79.9-28000106.6K580 T584 L585K580-D582 PolarHBondContact O-N 3.19Å; D582-T584 PolarHBondContact O-N 3.05Å; D582-L585 WeakPolarHBondContact O-CB 3.42Å; D582-L585 PolarHBondContact O-N 3.38Å
583D46.2Very low58.1Low150 Ų15087.9 Ų87.980%0.80248%0.48SS*.G310 helixtrans-55-14.8-175.1-68.6-35.9000113.9L585D583-L585 PolarHBondContact O-N 3.49Å
584T49.7Very low60.3Low125 Ų12582.1 Ų82.177%0.76745%0.449SS*.G310 helixtrans-71.5-10.3175.255.80000114.1D582D582-T584 PolarHBondContact O-N 3.05Å
585L50Low62.5Low60 Ų6079.2 Ų79.231%0.31443%0.428SS..G310 helixtrans-82.3-3.7-178-71.6169.3000115D582 D583 S587 S588D582-L585 WeakPolarHBondContact O-CB 3.42Å; D582-L585 PolarHBondContact O-N 3.38Å; D583-L585 PolarHBondContact O-N 3.49Å; L585-S587 PolarHBondContact O-N 3.35Å; L585-S588 WeakPolarHBondContact CB-OG 3.39Å; L585-S588 WeakPolarHBondContact CD2-OG 3.36Å; L585-S588 PolarHBondContact O-N 2.84Å; L585-S588 PolarHBondContact O-OG 3.24Å
586L57.4Low65Low117 Ų11775.9 Ų75.961%0.61342%0.415SS*.G310 helixtrans-61.4-10.8179-157.868.1000113.2F593 L596L586-F593 VanDerWaalsContact O-CD2 3.26Å; L586-F593 WeakPolarHBondContact O-CD2 3.37Å; L586-F593 VanDerWaalsContact O-CE2 3.27Å; L586-F593 WeakPolarHBondContact O-CE2 3.44Å; L586-L596 HydrophobicContact CD1-CD1 3.75Å
587S68.5Low67.4Low105 Ų10573.3 Ų73.373%0.73440%0.399SS*.G310 helixtrans-1098173.4-59.30000114.3F510 L585F510-S587 WeakPolarHBondContact CE1-O 3.44Å; L585-S587 PolarHBondContact O-N 3.35Å
588S79Confident70.2Confident30 Ų3069.3 Ų69.321%0.2138%0.375CS..SBendtrans-105.8145.6179.371.50000111.3L585 S590L585-S588 WeakPolarHBondContact CB-OG 3.39Å; L585-S588 WeakPolarHBondContact CD2-OG 3.36Å; L585-S588 PolarHBondContact O-N 2.84Å; L585-S588 PolarHBondContact O-OG 3.24Å; S588-S590 VanDerWaalsContact C-N 3.31Å; S588-S590 PolarHBondContact O-N 3.37Å
589P87.3Confident73.1Confident32 Ų3267.3 Ų67.321%0.20836%0.363CS..  trans-70.484.7177.828.6-34.6000111.2F510 L537 H538F510-P589 HydrophobicContact CB-CB 4.37Å; F510-P589 HydrophobicContact CD1-CB 4.09Å; F510-P589 HydrophobicContact CD1-CG 4.22Å; F510-P589 HydrophobicContact CD2-CB 3.8Å; F510-P589 HydrophobicContact CE1-CB 4.32Å; F510-P589 HydrophobicContact CE2-CB 4.03Å; F510-P589 HydrophobicContact CG-CB 3.82Å; F510-P589 HydrophobicContact CG-CG 4.32Å; F510-P589 HydrophobicContact CZ-CB 4.29Å; L537-P589 HydrophobicContact CD2-CB 3.71Å; L537-P589 HydrophobicContact CD2-CG 3.42Å; L537-P589 VanDerWaalsContact CD2-CG 3.42Å; H538-P589 PolarHBondContact NE2-O 3.37Å
590S90.6Very high75.7Confident13 Ų1367.3 Ų67.39%0.09136%0.359CS..  trans-109.1162.1178.359.80000111.4C534 S588 E592 F593 A594C534-S590 WeakPolarHBondContact CB-O 3.45Å; S588-S590 VanDerWaalsContact C-N 3.31Å; S588-S590 PolarHBondContact O-N 3.37Å; S590-E592 VanDerWaalsContact C-N 3.26Å; S590-E592 WeakPolarHBondContact CB-OE2 3.41Å; S590-E592 PolarHBondContact O-N 3.29Å; S590-F593 PolarHBondContact O-N 3.18Å; S590-F593 VanDerWaalsContact OG-CB 3.24Å; S590-F593 WeakPolarHBondContact OG-CB 3.47Å; S590-F593 PolarHBondContact OG-N 2.65Å; S590-A594 PolarHBondContact O-N 3.27Å
591M90Very high78.4Confident1 Ų158.3 Ų58.31%0.00532%0.319CS..Hα-helixtrans-67.1-33.2175.9-166.664.784.300110.9H538 A594 F595 Y666 V667 C670 L671H538-M591 HydrophobicContact CB-CE 4.04Å; M591-A594 VanDerWaalsContact O-CB 3.31Å; M591-A594 WeakPolarHBondContact O-CB 3.07Å; M591-A594 PolarHBondContact O-N 3.26Å; M591-F595 PolarHBondContact O-N 3.17Å; M591-Y666 HydrophobicContact CE-CE1 4.33Å; M591-V667 HydrophobicContact CG-CG1 3.96Å; M591-V667 WeakPolarHBondContact O-CG1 3.35Å; M591-V667 HydrophobicContact SD-CB 4.14Å; M591-V667 HydrophobicContact SD-CG1 3.83Å; M591-V667 HydrophobicContact SD-CG2 3.83Å; M591-C670 HydrophobicContact CE-CB 3.79Å; M591-C670 HydrophobicContact CG-CB 4Å; M591-C670 HydrophobicContact SD-CB 4.19Å; M591-L671 HydrophobicContact CB-CD2 4Å; M591-L671 HydrophobicContact CG-CD2 3.87Å; M591-L671 HydrophobicContact CG-CG 3.96Å
592E91.7Very high80.8Confident64 Ų6454.6 Ų54.630%0.29930%0.299SS..Hα-helixtrans-64.1-44.6173.2-63.279-177.900111.4S590 A594 F595 L596 L671S590-E592 VanDerWaalsContact C-N 3.26Å; S590-E592 WeakPolarHBondContact CB-OE2 3.41Å; S590-E592 PolarHBondContact O-N 3.29Å; E592-A594 VanDerWaalsContact C-N 3.32Å; E592-A594 PolarHBondContact O-N 3.22Å; E592-F595 WeakPolarHBondContact O-CB 3.48Å; E592-F595 PolarHBondContact O-N 2.96Å; E592-L596 WeakPolarHBondContact O-CG 3.47Å; E592-L596 PolarHBondContact O-N 3.07Å; E592-L596 VanDerWaalsContact O-N 3.07Å; E592-L671 HydrophobicContact CG-CD2 4.01Å
593F94.1Very high83.4Confident25 Ų2556.1 Ų56.111%0.1131%0.306CS..Hα-helixtrans-62.6-40.2173.2-176.8-85.8000111.5F510 W527 L530 L586 S590 F595 L596 A597F510-F593 AromaticContact CE2-CD1 3.65Å; F510-F593 HydrophobicContact CE2-CD1 3.65Å; F510-F593 AromaticContact CE2-CE1 3.46Å; F510-F593 HydrophobicContact CE2-CE1 3.46Å; F510-F593 VanDerWaalsContact CE2-CE1 3.46Å; F510-F593 HydrophobicContact CE2-CZ 4.2Å; F510-F593 AromaticContact CZ-CD1 3.96Å; F510-F593 HydrophobicContact CZ-CD1 3.96Å; F510-F593 AromaticContact CZ-CE1 3.75Å; F510-F593 HydrophobicContact CZ-CE1 3.75Å; F510-F593 HydrophobicContact CZ-CG 4.47Å; F510-F593 HydrophobicContact CZ-CZ 4.07Å; W527-F593 HydrophobicContact CZ3-CZ 4.31Å; L530-F593 HydrophobicContact CB-CE1 4.12Å; L530-F593 HydrophobicContact CD1-CE1 4.45Å; L530-F593 HydrophobicContact CD1-CZ 4.49Å; L586-F593 VanDerWaalsContact O-CD2 3.26Å; L586-F593 WeakPolarHBondContact O-CD2 3.37Å; L586-F593 VanDerWaalsContact O-CE2 3.27Å; L586-F593 WeakPolarHBondContact O-CE2 3.44Å; S590-F593 PolarHBondContact O-N 3.18Å; S590-F593 VanDerWaalsContact OG-CB 3.24Å; S590-F593 WeakPolarHBondContact OG-CB 3.47Å; S590-F593 PolarHBondContact OG-N 2.65Å; F593-F595 VanDerWaalsContact C-N 3.27Å; F593-F595 PolarHBondContact O-N 3.33Å; F593-L596 PolarHBondContact O-N 3.46Å; F593-A597 HydrophobicContact CD1-CB 4.4Å; F593-A597 HydrophobicContact CE1-CB 4.09Å; F593-A597 WeakPolarHBondContact O-CB 3.43Å; F593-A597 PolarHBondContact O-N 3.38Å
594A94.4Very high85.6Confident0 Ų051.7 Ų51.70%028%0.282CS..Hα-helixtrans-56.1-44.5175.200000111.2A531 C534 S590 M591 E592 A597 L598 V667A531-A594 HydrophobicContact CB-CB 4.23Å; C534-A594 HydrophobicContact CB-CB 3.57Å; S590-A594 PolarHBondContact O-N 3.27Å; M591-A594 VanDerWaalsContact O-CB 3.31Å; M591-A594 WeakPolarHBondContact O-CB 3.07Å; M591-A594 PolarHBondContact O-N 3.26Å; E592-A594 VanDerWaalsContact C-N 3.32Å; E592-A594 PolarHBondContact O-N 3.22Å; A594-A597 PolarHBondContact O-N 3.37Å; A594-L598 VanDerWaalsContact O-CG 3.24Å; A594-L598 WeakPolarHBondContact O-CG 3.42Å; A594-L598 PolarHBondContact O-N 3.01Å; A594-V667 HydrophobicContact CB-CG1 4.2Å; A594-V667 HydrophobicContact CB-CG2 4.13Å
595F95Very high87.6Confident22 Ų2246.1 Ų46.110%0.09625%0.247CC..Hα-helixtrans-63.7-43.5178.2-168.1-113.5000112.4M591 E592 F593 L598 R599 I664 V667 A668 L671 D676M591-F595 PolarHBondContact O-N 3.17Å; E592-F595 WeakPolarHBondContact O-CB 3.48Å; E592-F595 PolarHBondContact O-N 2.96Å; F593-F595 VanDerWaalsContact C-N 3.27Å; F593-F595 PolarHBondContact O-N 3.33Å; F595-L598 PolarHBondContact O-N 2.91Å; F595-R599 HydrophobicContact CE1-CG 4.45Å; F595-R599 PolarHBondContact O-N 3.1Å; F595-I664 HydrophobicContact CE2-CG2 4.11Å; F595-V667 HydrophobicContact CB-CG1 3.66Å; F595-V667 HydrophobicContact CD2-CG1 4.03Å; F595-V667 HydrophobicContact CG-CG1 4.31Å; F595-A668 HydrophobicContact CE2-CB 4.02Å; F595-L671 HydrophobicContact CB-CD1 3.78Å; F595-L671 HydrophobicContact CG-CD1 4.11Å; F595-D676 HydrophobicContact CE2-CB 4.44Å; F595-D676 HydrophobicContact CZ-CB 4.25Å
596L94.5Very high89.3Confident79 Ų7945.1 Ų45.141%0.41424%0.244SC..Hα-helixtrans-61.9-44.3174.8-69174.8000111.8L586 E592 F593 L598 R599 N600L586-L596 HydrophobicContact CD1-CD1 3.75Å; E592-L596 WeakPolarHBondContact O-CG 3.47Å; E592-L596 PolarHBondContact O-N 3.07Å; E592-L596 VanDerWaalsContact O-N 3.07Å; F593-L596 PolarHBondContact O-N 3.46Å; L596-L598 PolarHBondContact O-N 3.19Å; L596-R599 PolarHBondContact O-N 3.47Å; L596-N600 PolarHBondContact O-N 3.11Å
597A95Very high90.4Very high0 Ų044.3 Ų44.30%025%0.245CC..Hα-helixtrans-62.8-42.6178.200000111.6W527 A531 F593 A594 R599 N600 A601W527-A597 WeakPolarHBondContact CB-O 3.24Å; W527-A597 HydrophobicContact CE3-CB 3.99Å; W527-A597 WeakPolarHBondContact O-CB 3.4Å; A531-A597 HydrophobicContact CB-CB 4.19Å; F593-A597 HydrophobicContact CD1-CB 4.4Å; F593-A597 HydrophobicContact CE1-CB 4.09Å; F593-A597 WeakPolarHBondContact O-CB 3.43Å; F593-A597 PolarHBondContact O-N 3.38Å; A594-A597 PolarHBondContact O-N 3.37Å; A597-R599 PolarHBondContact O-N 3.32Å; A597-N600 WeakPolarHBondContact O-CB 3.42Å; A597-N600 PolarHBondContact O-N 3.38Å; A597-A601 PolarHBondContact O-N 3.46Å
598L96.3Very high90.8Very high0 Ų040 Ų400%021%0.214CC..Hα-helixtrans-65-38.1174.5-67.6165000112.3F528 A531 A594 F595 L596 A601 S602 L660 N663 I664 V667F528-L598 HydrophobicContact CD2-CD2 3.78Å; F528-L598 HydrophobicContact CE2-CD2 4.16Å; A531-L598 HydrophobicContact CB-CD1 4.12Å; A531-L598 HydrophobicContact CB-CD2 3.7Å; A531-L598 HydrophobicContact CB-CG 3.53Å; A594-L598 VanDerWaalsContact O-CG 3.24Å; A594-L598 WeakPolarHBondContact O-CG 3.42Å; A594-L598 PolarHBondContact O-N 3.01Å; F595-L598 PolarHBondContact O-N 2.91Å; L596-L598 PolarHBondContact O-N 3.19Å; L598-A601 PolarHBondContact O-N 2.88Å; L598-S602 WeakPolarHBondContact O-CB 3.42Å; L598-S602 PolarHBondContact O-N 3.31Å; L598-L660 HydrophobicContact CB-CD1 4.31Å; L598-L660 HydrophobicContact CD2-CD1 3.72Å; L598-N663 HydrophobicContact CD1-CB 4Å; L598-N663 HydrophobicContact CD2-CB 3.75Å; L598-I664 HydrophobicContact CB-CD1 4.46Å; L598-I664 HydrophobicContact CB-CG1 3.68Å; L598-I664 HydrophobicContact CD1-CG1 4.18Å; L598-I664 HydrophobicContact CG-CG1 4.36Å; L598-V667 HydrophobicContact CD1-CB 4.16Å; L598-V667 HydrophobicContact CD1-CG2 3.76Å
599R94.9Very high90.3Very high119 Ų11943.3 Ų43.345%0.44923%0.229SC..Hα-helixtrans-64.5-41.5172.9-80.3-168.1154.2-178.91.6112.1F595 L596 A597 A601 S602 L603 D676F595-R599 HydrophobicContact CE1-CG 4.45Å; F595-R599 PolarHBondContact O-N 3.1Å; L596-R599 PolarHBondContact O-N 3.47Å; A597-R599 PolarHBondContact O-N 3.32Å; R599-A601 VanDerWaalsContact C-N 3.34Å; R599-A601 PolarHBondContact O-N 3.27Å; R599-S602 WeakPolarHBondContact O-CB 3.18Å; R599-S602 PolarHBondContact O-N 3.02Å; R599-L603 VanDerWaalsContact O-CG 3.28Å; R599-L603 WeakPolarHBondContact O-CG 3.41Å; R599-L603 PolarHBondContact O-N 2.81Å; R599-D676 IonicContact NH2-OD1 3.73Å; R599-D676 PolarHBondContact NH2-OD1 2.99Å; R599-D676 IonicContact NH2-OD2 2.81Å
600N94.9Very high89Confident54 Ų5450 Ų5029%0.28926%0.255SS..Hα-helixtrans-60.2-45.4173.8-70.9-12.6000111.2W527 L596 A597 S602 L603 L604W527-N600 HydrophobicContact CB-CB 4.48Å; W527-N600 HydrophobicContact CD2-CB 3.78Å; W527-N600 HydrophobicContact CE3-CB 4.2Å; W527-N600 HydrophobicContact CG-CB 3.91Å; W527-N600 WeakPolarHBondContact CH2-ND2 3.41Å; W527-N600 WeakPolarHBondContact CZ3-ND2 3.21Å; L596-N600 PolarHBondContact O-N 3.11Å; A597-N600 WeakPolarHBondContact O-CB 3.42Å; A597-N600 PolarHBondContact O-N 3.38Å; N600-S602 VanDerWaalsContact C-N 3.32Å; N600-S602 PolarHBondContact O-N 3.48Å; N600-L603 PolarHBondContact O-N 3.31Å; N600-L604 VanDerWaalsContact O-CG 3.28Å; N600-L604 WeakPolarHBondContact O-CG 3.44Å; N600-L604 PolarHBondContact O-N 3.32Å
601A94.5Very high87Confident0 Ų056.4 Ų56.40%029%0.288CS..Hα-helixtrans-58.9-43.617400000111.7P524 W527 F528 A597 L598 R599 L603 L604 I605 L660P524-A601 HydrophobicContact CB-CB 4.23Å; P524-A601 VanDerWaalsContact O-CB 3.31Å; P524-A601 WeakPolarHBondContact O-CB 3.32Å; W527-A601 HydrophobicContact CB-CB 4.01Å; F528-A601 HydrophobicContact CB-CB 4.46Å; A597-A601 PolarHBondContact O-N 3.46Å; L598-A601 PolarHBondContact O-N 2.88Å; R599-A601 VanDerWaalsContact C-N 3.34Å; R599-A601 PolarHBondContact O-N 3.27Å; A601-L603 VanDerWaalsContact C-N 3.35Å; A601-L603 PolarHBondContact O-N 2.97Å; A601-L604 PolarHBondContact O-N 3.17Å; A601-I605 WeakPolarHBondContact O-CD1 3.34Å; A601-I605 VanDerWaalsContact O-CG1 3.31Å; A601-I605 WeakPolarHBondContact O-CG1 3.43Å; A601-I605 PolarHBondContact O-N 2.91Å; A601-L660 HydrophobicContact CB-CD1 3.79Å
602S93.4Very high85.4Confident39 Ų3957.9 Ų57.927%0.27330%0.295SS..Hα-helixtrans-64.6-34.9177.4-172.90000113.5L598 R599 N600 L604L598-S602 WeakPolarHBondContact O-CB 3.42Å; L598-S602 PolarHBondContact O-N 3.31Å; R599-S602 WeakPolarHBondContact O-CB 3.18Å; R599-S602 PolarHBondContact O-N 3.02Å; N600-S602 VanDerWaalsContact C-N 3.32Å; N600-S602 PolarHBondContact O-N 3.48Å; S602-L604 VanDerWaalsContact C-N 3.32Å
603L93.9Very high83.5Confident143 Ų14356.2 Ų56.275%0.74929%0.29SS*.Hα-helixtrans-72.1-27.8178.7-73.6169.8000112.6R599 N600 A601 I605R599-L603 VanDerWaalsContact O-CG 3.28Å; R599-L603 WeakPolarHBondContact O-CG 3.41Å; R599-L603 PolarHBondContact O-N 2.81Å; N600-L603 PolarHBondContact O-N 3.31Å; A601-L603 VanDerWaalsContact C-N 3.35Å; A601-L603 PolarHBondContact O-N 2.97Å; L603-I605 VanDerWaalsContact C-N 3.34Å
604L93.1Very high81.1Confident57 Ų5761.1 Ų61.130%0.29832%0.317SS..THydrogen-bonded Turntrans-84.4-9-178.8-69.8169.6000113.3R522 P524 N600 A601 S602R522-L604 HydrophobicContact CB-CD2 4.24Å; R522-L604 HydrophobicContact CG-CD2 4.23Å; P524-L604 HydrophobicContact CB-CB 3.99Å; P524-L604 HydrophobicContact CB-CD1 4.41Å; P524-L604 HydrophobicContact CG-CB 4.4Å; N600-L604 VanDerWaalsContact O-CG 3.28Å; N600-L604 WeakPolarHBondContact O-CG 3.44Å; N600-L604 PolarHBondContact O-N 3.32Å; A601-L604 PolarHBondContact O-N 3.17Å; S602-L604 VanDerWaalsContact C-N 3.32Å
605I90.3Very high78.7Confident9 Ų968.9 Ų68.95%0.04635%0.351CS..SBendtrans-107.7134.4-175.9-65.1170.7000110.2P524 A601 L603 I639 L653 F656 L657 L660P524-I605 HydrophobicContact CB-CD1 3.77Å; P524-I605 HydrophobicContact CB-CG1 3.7Å; P524-I605 HydrophobicContact CG-CD1 4.24Å; P524-I605 HydrophobicContact CG-CG1 3.91Å; A601-I605 WeakPolarHBondContact O-CD1 3.34Å; A601-I605 VanDerWaalsContact O-CG1 3.31Å; A601-I605 WeakPolarHBondContact O-CG1 3.43Å; A601-I605 PolarHBondContact O-N 2.91Å; L603-I605 VanDerWaalsContact C-N 3.34Å; I605-I639 HydrophobicContact CG2-CD1 4.2Å; I605-L653 HydrophobicContact CG2-CD1 3.68Å; I605-F656 HydrophobicContact CD1-CD1 3.3Å; I605-F656 HydrophobicContact CD1-CE1 3.08Å; I605-F656 HydrophobicContact CD1-CG 4.46Å; I605-F656 HydrophobicContact CD1-CZ 4.09Å; I605-L657 HydrophobicContact CB-CD2 4.45Å; I605-L657 HydrophobicContact CG2-CD2 3.56Å; I605-L657 HydrophobicContact CG2-CG 4.1Å; I605-L660 HydrophobicContact CD1-CD2 4.21Å
606P86.6Confident76.4Confident38 Ų3872.2 Ų72.225%0.24738%0.377CS..PPolyproline II helixtrans-63141174.128.9-37.2000111W633 Q637 I639 L653P606-W633 HydrophobicContact CB-CH2 4.25Å; P606-W633 HydrophobicContact CB-CZ2 3.93Å; P606-W633 HydrophobicContact CG-CH2 4.2Å; P606-W633 HydrophobicContact CG-CZ2 4.28Å; P606-W633 WeakPolarHBondContact O-CH2 3.33Å; P606-Q637 HydrophobicContact CG-CB 4.34Å; P606-Q637 HydrophobicContact CG-CG 3.98Å; P606-I639 VanDerWaalsContact CD-CD1 3.4Å; P606-I639 HydrophobicContact CG-CD1 3.84Å; P606-I639 HydrophobicContact CG-CG1 4.21Å; P606-L653 HydrophobicContact CG-CD2 4.49Å
607T80Confident74.1Confident101 Ų10172.8 Ų72.862%0.6239%0.387SS*.PPolyproline II helixtrans-100.7141.4173.349.20000109.6D609T607-D609 PolarHBondContact O-N 3.44Å
608P76.6Confident71.8Confident14 Ų1479 Ų799%0.09142%0.42CS..PPolyproline II helixtrans-59.8135.9177.2-25.635.9000111.8I612 L630 W633 I709P608-I612 HydrophobicContact CB-CD1 4.35Å; P608-L630 HydrophobicContact CB-CD1 3.93Å; P608-L630 HydrophobicContact CG-CD1 3.68Å; P608-W633 HydrophobicContact CB-CD2 4.44Å; P608-W633 HydrophobicContact CB-CE3 4.45Å; P608-W633 HydrophobicContact CB-CH2 4.49Å; P608-W633 HydrophobicContact CB-CZ2 4.44Å; P608-W633 HydrophobicContact CG-CD2 4.49Å; P608-W633 HydrophobicContact CG-CE3 4.06Å; P608-W633 HydrophobicContact CG-CH2 3.78Å; P608-W633 HydrophobicContact CG-CZ2 4.19Å; P608-W633 HydrophobicContact CG-CZ3 3.72Å; P608-I709 HydrophobicContact CB-CG2 4.26Å; P608-I709 HydrophobicContact CG-CG2 3.8Å
609D68.7Low69.8Low99 Ų9984.8 Ų84.853%0.52945%0.451SS..PPolyproline II helixtrans-57.4141.9-179.8-72.8-37.4000112T607 L611 I612T607-D609 PolarHBondContact O-N 3.44Å; D609-L611 HydrophobicContact CB-CB 4.48Å; D609-L611 PolarHBondContact O-N 2.92Å; D609-I612 WeakPolarHBondContact O-CB 3.48Å; D609-I612 PolarHBondContact O-N 2.99Å
610K60.4Low67.8Low172 Ų17285.9 Ų85.975%0.74847%0.466SS*.Hα-helixtrans-56.9-18.9173.3-63.5178.5-176.7172.10113.5I612 T613 N614K610-I612 VanDerWaalsContact C-N 3.28Å; K610-I612 PolarHBondContact O-N 3.11Å; K610-T613 VanDerWaalsContact CA-OG1 3.32Å; K610-T613 WeakPolarHBondContact CA-OG1 3.4Å; K610-T613 PolarHBondContact O-N 2.94Å; K610-T613 VanDerWaalsContact O-N 3.14Å; K610-T613 PolarHBondContact O-OG1 3.34Å; K610-N614 PolarHBondContact O-N 3.44Å
611L48.9Very low65.8Low149 Ų14992.5 Ų92.578%0.7849%0.492SS*.Hα-helixtrans-68-28.2174.7-82.2155.6000112.5D609 T613D609-L611 HydrophobicContact CB-CB 4.48Å; D609-L611 PolarHBondContact O-N 2.92Å; L611-T613 VanDerWaalsContact C-N 3.32Å
612I55.5Low63.8Low31 Ų3195.5 Ų95.516%0.15951%0.508CS..Hα-helixtrans-70.9-33.8171.1-60.4169.4000109.2P608 D609 K610 Y626 W633P608-I612 HydrophobicContact CB-CD1 4.35Å; D609-I612 WeakPolarHBondContact O-CB 3.48Å; D609-I612 PolarHBondContact O-N 2.99Å; K610-I612 VanDerWaalsContact C-N 3.28Å; K610-I612 PolarHBondContact O-N 3.11Å; I612-Y626 HydrophobicContact CB-CE2 4.47Å; I612-Y626 HydrophobicContact CG2-CD2 3.82Å; I612-Y626 HydrophobicContact CG2-CE2 3.36Å; I612-Y626 WeakPolarHBondContact O-CD2 3.28Å; I612-Y626 WeakPolarHBondContact O-CE2 3.47Å; I612-W633 HydrophobicContact CD1-CB 3.9Å; I612-W633 HydrophobicContact CD1-CG 3.95Å
613T51.9Low62.4Low30 Ų3097.2 Ų97.218%0.18451%0.514CS..Hα-helixtrans-80.7-18.9-174.169.70000115.7K610 L611 I709K610-T613 VanDerWaalsContact CA-OG1 3.32Å; K610-T613 WeakPolarHBondContact CA-OG1 3.4Å; K610-T613 PolarHBondContact O-N 2.94Å; K610-T613 VanDerWaalsContact O-N 3.14Å; K610-T613 PolarHBondContact O-OG1 3.34Å; L611-T613 VanDerWaalsContact C-N 3.32Å; T613-I709 HydrophobicContact CG2-CD1 4.1Å; T613-I709 HydrophobicContact CG2-CG1 4.1Å
614N43.3Very low61.1Low127 Ų12794.4 Ų94.468%0.67951%0.507SS*.THydrogen-bonded Turntrans-104.29.2-167.6-91.74.5000116.6K610 S616K610-N614 PolarHBondContact O-N 3.44Å; N614-S616 PolarHBondContact O-N 3.35Å
615K45.8Very low60.3Low164 Ų16494.3 Ų94.371%0.71351%0.511SS*.  trans-75.879.2170.9-74.2-172.9179.6178.60110.4
616S45.1Very low59.5Low92 Ų9295.4 Ų95.464%0.64351%0.514SS*.  trans-66.8145.7174.6171.70000112.1N614N614-S616 PolarHBondContact O-N 3.35Å
617S47.3Very low59.1Low91 Ų9195.5 Ų95.564%0.63651%0.514SS*.SBendtrans78.975.6160.221.60000118.3
618N46.2Very low59.2Low129 Ų12993 Ų9369%0.6950%0.501SS*.  trans168.3113.3135.7-85.8-14.2000111L622N618-L622 HydrophobicContact CB-CD1 4.23Å; N618-L622 WeakPolarHBondContact O-CB 3.42Å; N618-L622 WeakPolarHBondContact O-CD1 3.35Å
619N54.4Low59.5Low122 Ų12294.5 Ų94.565%0.65251%0.512SS*.Hα-helixtrans-68.8-43.2-152.5-74.4-8.5000117.5N623N619-N623 PolarHBondContact O-ND2 2.96Å; N619-N623 VanDerWaalsContact O-ND2 3.09Å; N619-N623 PolarHBondContact O-OD1 2.89Å
620D52.8Low60.2Low143 Ų14389.8 Ų89.877%0.76549%0.486SS*.Hα-helixtrans-91.6-40.4-164-59.5-26.7000114.5
621K53.1Low61.3Low193 Ų19383.7 Ų83.784%0.83946%0.464SS*.Hα-helixtrans-77.9-21.9179.2-73.6-174.6178.9-179.80113.5S624K621-S624 PolarHBondContact O-OG 2.99Å
622L52Low63Low62 Ų6281 Ų8133%0.32545%0.445SS..Hα-helixtrans-84.7-25.7178.8-77169.4000113.1N618 S624 S625 Y626N618-L622 HydrophobicContact CB-CD1 4.23Å; N618-L622 WeakPolarHBondContact O-CB 3.42Å; N618-L622 WeakPolarHBondContact O-CD1 3.35Å; L622-S624 PolarHBondContact O-N 3.36Å; L622-S625 CarbonylContact O-C 3.49Å; L622-S625 WeakPolarHBondContact O-CB 3.31Å; L622-S625 PolarHBondContact O-N 3.21Å; L622-S625 VanDerWaalsContact O-N 3.15Å; L622-Y626 WeakPolarHBondContact O-CB 3.45Å; L622-Y626 PolarHBondContact O-N 3.17Å
623N64.1Low64.6Low76 Ų7680.8 Ų80.841%0.40644%0.443SS..Hα-helixtrans-61.1-43.6179.3-75.9-11.2000112N619 S625 Y626 V627N619-N623 PolarHBondContact O-ND2 2.96Å; N619-N623 VanDerWaalsContact O-ND2 3.09Å; N619-N623 PolarHBondContact O-OD1 2.89Å; N623-S625 VanDerWaalsContact C-N 3.35Å; N623-S625 PolarHBondContact O-N 2.91Å; N623-Y626 PolarHBondContact O-N 3.15Å; N623-V627 WeakPolarHBondContact O-CG2 3.11Å; N623-V627 PolarHBondContact O-N 3.35Å
624S68.1Low66.2Low84 Ų8479.3 Ų79.359%0.58743%0.434SS*.Hα-helixtrans-64.9-38.8174.867.50000112.2K621 L622 S628K621-S624 PolarHBondContact O-OG 2.99Å; L622-S624 PolarHBondContact O-N 3.36Å; S624-S628 WeakPolarHBondContact O-CB 3.32Å; S624-S628 PolarHBondContact O-N 2.84Å
625S74.5Confident68.1Low55 Ų5577.3 Ų77.339%0.38542%0.423SS..Hα-helixtrans-65.7-39.3176-175.90000112.3L622 N623 S629L622-S625 CarbonylContact O-C 3.49Å; L622-S625 WeakPolarHBondContact O-CB 3.31Å; L622-S625 PolarHBondContact O-N 3.21Å; L622-S625 VanDerWaalsContact O-N 3.15Å; N623-S625 VanDerWaalsContact C-N 3.35Å; N623-S625 PolarHBondContact O-N 2.91Å; S625-S629 WeakPolarHBondContact O-CB 3.26Å; S625-S629 PolarHBondContact O-N 3.38Å; S625-S629 PolarHBondContact O-OG 3.46Å
626Y74.5Confident70Confident31 Ų3177.3 Ų77.312%0.12242%0.423CS..Hα-helixtrans-65.9-51.7176.1175.9-90.9000111.1I612 L622 N623 S628 S629 L630 L707 I709I612-Y626 HydrophobicContact CB-CE2 4.47Å; I612-Y626 HydrophobicContact CG2-CD2 3.82Å; I612-Y626 HydrophobicContact CG2-CE2 3.36Å; I612-Y626 WeakPolarHBondContact O-CD2 3.28Å; I612-Y626 WeakPolarHBondContact O-CE2 3.47Å; L622-Y626 WeakPolarHBondContact O-CB 3.45Å; L622-Y626 PolarHBondContact O-N 3.17Å; N623-Y626 PolarHBondContact O-N 3.15Å; Y626-S628 VanDerWaalsContact C-N 3.28Å; Y626-S628 PolarHBondContact O-N 3.46Å; Y626-S629 CarbonylContact O-C 3.59Å; Y626-S629 WeakPolarHBondContact O-CA 3.12Å; Y626-S629 WeakPolarHBondContact O-CB 3.29Å; Y626-S629 PolarHBondContact O-N 3.01Å; Y626-L630 HydrophobicContact CE1-CD2 4.11Å; Y626-L630 WeakPolarHBondContact O-CB 3.31Å; Y626-L630 PolarHBondContact O-N 2.66Å; Y626-L707 HydrophobicContact CD2-CD2 3.85Å; Y626-L707 HydrophobicContact CE2-CD2 3.53Å; Y626-L707 HydrophobicContact CG-CD2 4.5Å; Y626-I709 WeakPolarHBondContact OH-CA 3.35Å; Y626-I709 PolarHBondContact OH-O 3.14Å
627V78.3Confident71.9Confident41 Ų4175 Ų7525%0.24840%0.402CS..Hα-helixtrans-56.9-45175.71710000110.1N623 S629 L630 V631 M712 I713N623-V627 WeakPolarHBondContact O-CG2 3.11Å; N623-V627 PolarHBondContact O-N 3.35Å; V627-S629 VanDerWaalsContact C-N 3.32Å; V627-S629 PolarHBondContact O-N 3.32Å; V627-L630 PolarHBondContact O-N 2.98Å; V627-V631 HydrophobicContact CG1-CG2 4.4Å; V627-V631 WeakPolarHBondContact O-CB 3.3Å; V627-V631 VanDerWaalsContact O-CG2 3.31Å; V627-V631 WeakPolarHBondContact O-CG2 3.49Å; V627-V631 PolarHBondContact O-N 3.29Å; V627-M712 HydrophobicContact CG2-CB 3.81Å; V627-M712 HydrophobicContact CG2-CG 4.37Å; V627-I713 HydrophobicContact CG1-CD1 4.05Å; V627-I713 HydrophobicContact CG1-CG1 4.16Å; V627-I713 HydrophobicContact CG2-CG1 4.48Å
628S81.1Confident73.6Confident48 Ų4877.3 Ų77.334%0.33640%0.401SS..Hα-helixtrans-61.5-39.2175.7-168.30000112.3S624 Y626 K632S624-S628 WeakPolarHBondContact O-CB 3.32Å; S624-S628 PolarHBondContact O-N 2.84Å; Y626-S628 VanDerWaalsContact C-N 3.28Å; Y626-S628 PolarHBondContact O-N 3.46Å; S628-K632 VanDerWaalsContact O-CB 3.3Å; S628-K632 WeakPolarHBondContact O-CB 3.35Å; S628-K632 WeakPolarHBondContact O-CG 3.28Å; S628-K632 PolarHBondContact O-N 3.36Å
629S83.3Confident75.5Confident45 Ų4572 Ų7232%0.31537%0.372SS..Hα-helixtrans-68.3-38.7176.8-59.20000112.2S625 Y626 V627 K632 W633S625-S629 WeakPolarHBondContact O-CB 3.26Å; S625-S629 PolarHBondContact O-N 3.38Å; S625-S629 PolarHBondContact O-OG 3.46Å; Y626-S629 CarbonylContact O-C 3.59Å; Y626-S629 WeakPolarHBondContact O-CA 3.12Å; Y626-S629 WeakPolarHBondContact O-CB 3.29Å; Y626-S629 PolarHBondContact O-N 3.01Å; V627-S629 VanDerWaalsContact C-N 3.32Å; V627-S629 PolarHBondContact O-N 3.32Å; S629-K632 PolarHBondContact O-N 2.9Å; S629-W633 WeakPolarHBondContact O-CB 3.45Å; S629-W633 PolarHBondContact O-N 2.89Å
630L83.7Confident76.8Confident0 Ų068.7 Ų68.70%036%0.359CS..Hα-helixtrans-69.3-42.5177.9-176.858.9000111.6P608 Y626 V627 W633 S634 L654 I709 I713P608-L630 HydrophobicContact CB-CD1 3.93Å; P608-L630 HydrophobicContact CG-CD1 3.68Å; Y626-L630 HydrophobicContact CE1-CD2 4.11Å; Y626-L630 WeakPolarHBondContact O-CB 3.31Å; Y626-L630 PolarHBondContact O-N 2.66Å; V627-L630 PolarHBondContact O-N 2.98Å; L630-W633 HydrophobicContact CD1-CE3 4.01Å; L630-W633 PolarHBondContact O-N 3.19Å; L630-S634 PolarHBondContact O-N 2.84Å; L630-S634 PolarHBondContact O-OG 2.93Å; L630-L654 HydrophobicContact CD1-CD2 3.93Å; L630-L654 HydrophobicContact CD2-CD2 4.17Å; L630-L654 HydrophobicContact CG-CD1 4.13Å; L630-L654 HydrophobicContact CG-CD2 3.85Å; L630-I709 HydrophobicContact CD1-CG2 4.35Å; L630-I709 HydrophobicContact CD2-CG2 4.2Å; L630-I709 WeakPolarHBondContact CD2-O 3.2Å; L630-I713 HydrophobicContact CB-CD1 4.47Å; L630-I713 HydrophobicContact CD2-CD1 3.63Å; L630-I713 HydrophobicContact CG-CD1 4.16Å
631V83.4Confident78.1Confident45 Ų4562 Ų6227%0.27332%0.323SS..Hα-helixtrans-64-41.1172.7172.60000110.8V627 W633 S634 N635 L654 I713V627-V631 HydrophobicContact CG1-CG2 4.4Å; V627-V631 WeakPolarHBondContact O-CB 3.3Å; V627-V631 VanDerWaalsContact O-CG2 3.31Å; V627-V631 WeakPolarHBondContact O-CG2 3.49Å; V627-V631 PolarHBondContact O-N 3.29Å; V631-W633 VanDerWaalsContact C-N 3.31Å; V631-W633 PolarHBondContact O-N 3.02Å; V631-S634 WeakPolarHBondContact CA-OG 3.5Å; V631-S634 PolarHBondContact O-N 3.39Å; V631-S634 PolarHBondContact O-OG 2.58Å; V631-S634 VanDerWaalsContact O-OG 3.12Å; V631-N635 VanDerWaalsContact O-CB 3.32Å; V631-N635 WeakPolarHBondContact O-CB 3.5Å; V631-N635 PolarHBondContact O-N 3.46Å; V631-N635 PolarHBondContact O-ND2 2.78Å; V631-L654 HydrophobicContact CG2-CD1 4.31Å; V631-I713 HydrophobicContact CG2-CD1 4.3Å
632K85.9Confident79.3Confident91 Ų9157.1 Ų57.140%0.39630%0.3SS..Hα-helixtrans-62.1-38.6173.2-78174.3-176.4-174.30112.3S628 S629 K636S628-K632 VanDerWaalsContact O-CB 3.3Å; S628-K632 WeakPolarHBondContact O-CB 3.35Å; S628-K632 WeakPolarHBondContact O-CG 3.28Å; S628-K632 PolarHBondContact O-N 3.36Å; S629-K632 PolarHBondContact O-N 2.9Å; K632-K636 WeakPolarHBondContact O-CG 3.05Å
633W87.6Confident80Confident27 Ų2754.3 Ų54.310%0.10229%0.286CS..Hα-helixtrans-67.4-45.3175.2170.290.4000111.3P606 P608 I612 S629 L630 V631 N635 K636 Q637 L653 L654P606-W633 HydrophobicContact CB-CH2 4.25Å; P606-W633 HydrophobicContact CB-CZ2 3.93Å; P606-W633 HydrophobicContact CG-CH2 4.2Å; P606-W633 HydrophobicContact CG-CZ2 4.28Å; P606-W633 WeakPolarHBondContact O-CH2 3.33Å; P608-W633 HydrophobicContact CB-CD2 4.44Å; P608-W633 HydrophobicContact CB-CE3 4.45Å; P608-W633 HydrophobicContact CB-CH2 4.49Å; P608-W633 HydrophobicContact CB-CZ2 4.44Å; P608-W633 HydrophobicContact CG-CD2 4.49Å; P608-W633 HydrophobicContact CG-CE3 4.06Å; P608-W633 HydrophobicContact CG-CH2 3.78Å; P608-W633 HydrophobicContact CG-CZ2 4.19Å; P608-W633 HydrophobicContact CG-CZ3 3.72Å; I612-W633 HydrophobicContact CD1-CB 3.9Å; I612-W633 HydrophobicContact CD1-CG 3.95Å; S629-W633 WeakPolarHBondContact O-CB 3.45Å; S629-W633 PolarHBondContact O-N 2.89Å; L630-W633 HydrophobicContact CD1-CE3 4.01Å; L630-W633 PolarHBondContact O-N 3.19Å; V631-W633 VanDerWaalsContact C-N 3.31Å; V631-W633 PolarHBondContact O-N 3.02Å; W633-N635 VanDerWaalsContact C-N 3.34Å; W633-N635 PolarHBondContact O-N 3.35Å; W633-K636 WeakPolarHBondContact O-CB 3.2Å; W633-K636 PolarHBondContact O-N 2.69Å; W633-K636 VanDerWaalsContact O-N 3.08Å; W633-Q637 HydrophobicContact CD2-CG 4.26Å; W633-Q637 HydrophobicContact CE3-CG 4.32Å; W633-Q637 HydrophobicContact CH2-CG 3.99Å; W633-Q637 HydrophobicContact CZ2-CG 3.95Å; W633-Q637 HydrophobicContact CZ3-CG 4.17Å; W633-Q637 WeakPolarHBondContact O-CG 3.35Å; W633-Q637 PolarHBondContact O-N 2.8Å; W633-Q637 PolarHBondContact O-NE2 3.43Å; W633-L653 HydrophobicContact CH2-CD2 4.37Å; W633-L653 HydrophobicContact CZ3-CD2 4.18Å; W633-L654 HydrophobicContact CZ3-CD2 4.39Å
634S85.7Confident80.3Confident0 Ų050.9 Ų50.90%027%0.268CS..Hα-helixtrans-69.9-32.1-177.9680000112.5L630 V631 K636 Q637 G650L630-S634 PolarHBondContact O-N 2.84Å; L630-S634 PolarHBondContact O-OG 2.93Å; V631-S634 WeakPolarHBondContact CA-OG 3.5Å; V631-S634 PolarHBondContact O-N 3.39Å; V631-S634 PolarHBondContact O-OG 2.58Å; V631-S634 VanDerWaalsContact O-OG 3.12Å; S634-K636 PolarHBondContact O-N 3.34Å; S634-Q637 WeakPolarHBondContact O-CB 3.47Å; S634-Q637 PolarHBondContact O-N 2.85Å; S634-Q637 VanDerWaalsContact O-N 3.09Å; S634-G650 WeakPolarHBondContact CB-O 3.28Å; S634-G650 PolarHBondContact O-N 3.48Å; S634-G650 VanDerWaalsContact OG-C 3.23Å; S634-G650 WeakPolarHBondContact OG-CA 3.45Å; S634-G650 PolarHBondContact OG-O 2.86Å
635N83.8Confident79.9Confident85 Ų8548.1 Ų48.146%0.45525%0.248SC..THydrogen-bonded Turntrans-65.8-19.1171.7-74.7-16.6000113.3V631 W633 G650V631-N635 VanDerWaalsContact O-CB 3.32Å; V631-N635 WeakPolarHBondContact O-CB 3.5Å; V631-N635 PolarHBondContact O-N 3.46Å; V631-N635 PolarHBondContact O-ND2 2.78Å; W633-N635 VanDerWaalsContact C-N 3.34Å; W633-N635 PolarHBondContact O-N 3.35Å; N635-G650 WeakPolarHBondContact OD1-CA 3.43Å
636K86Confident79.7Confident163 Ų16347 Ų4771%0.70924%0.239SC*.THydrogen-bonded Turntrans-88.3-11173.3-67.9176.3179.4-168.70113.1K632 W633 S634K632-K636 WeakPolarHBondContact O-CG 3.05Å; W633-K636 WeakPolarHBondContact O-CB 3.2Å; W633-K636 PolarHBondContact O-N 2.69Å; W633-K636 VanDerWaalsContact O-N 3.08Å; S634-K636 PolarHBondContact O-N 3.34Å
637Q85.4Confident79.6Confident45 Ų4546.6 Ų46.621%0.2124%0.239CC..  trans-85.3138.8178-55.6-50.4-45.800109.8P606 W633 S634 F649 L653P606-Q637 HydrophobicContact CG-CB 4.34Å; P606-Q637 HydrophobicContact CG-CG 3.98Å; W633-Q637 HydrophobicContact CD2-CG 4.26Å; W633-Q637 HydrophobicContact CE3-CG 4.32Å; W633-Q637 HydrophobicContact CH2-CG 3.99Å; W633-Q637 HydrophobicContact CZ2-CG 3.95Å; W633-Q637 HydrophobicContact CZ3-CG 4.17Å; W633-Q637 WeakPolarHBondContact O-CG 3.35Å; W633-Q637 PolarHBondContact O-N 2.8Å; W633-Q637 PolarHBondContact O-NE2 3.43Å; S634-Q637 WeakPolarHBondContact O-CB 3.47Å; S634-Q637 PolarHBondContact O-N 2.85Å; S634-Q637 VanDerWaalsContact O-N 3.09Å; Q637-F649 WeakPolarHBondContact O-CB 3.18Å; Q637-L653 HydrophobicContact CB-CD2 3.58Å; Q637-L653 HydrophobicContact CG-CD2 3.79Å
638F83.1Confident79.7Confident138 Ų13844.8 Ų44.861%0.60523%0.228SC*.  trans-132.9104.5170.7-96.9-95.4000108.4P647F638-P647 HydrophobicContact CD1-CB 4.07Å; F638-P647 HydrophobicContact CD1-CG 3.7Å; F638-P647 HydrophobicContact CE1-CG 3.73Å
639I84.2Confident79.8Confident18 Ų1846.6 Ų46.69%0.09223%0.23CC..EExtended strand (participates in β ladder)trans-111.4114.3179.8-55.8146.7000107.7P524 I605 P606 P647 L648 L653P524-I639 HydrophobicContact CG-CG2 3.91Å; I605-I639 HydrophobicContact CG2-CD1 4.2Å; P606-I639 VanDerWaalsContact CD-CD1 3.4Å; P606-I639 HydrophobicContact CG-CD1 3.84Å; P606-I639 HydrophobicContact CG-CG1 4.21Å; I639-P647 CarbonylContact O-C 3.04Å; I639-P647 VanDerWaalsContact O-CA 3.29Å; I639-P647 WeakPolarHBondContact O-CA 3.43Å; I639-P647 VanDerWaalsContact O-CB 3.32Å; I639-P647 WeakPolarHBondContact O-CB 3.26Å; I639-L648 HydrophobicContact CB-CB 4.11Å; I639-L648 HydrophobicContact CD1-CB 4.22Å; I639-L648 PolarHBondContact N-O 3.18Å; I639-L648 VanDerWaalsContact N-O 3.12Å; I639-L648 PolarHBondContact O-N 3.31Å; I639-L653 HydrophobicContact CD1-CD1 3.42Å; I639-L653 VanDerWaalsContact CD1-CD1 3.42Å; I639-L653 HydrophobicContact CD1-CD2 3.79Å; I639-L653 HydrophobicContact CD1-CG 4.22Å
640S82.1Confident79.8Confident53 Ų5344.5 Ų44.537%0.37122%0.216SC..EExtended strand (participates in β ladder)trans-69.2135177.6179.50000111.4Y642S640-Y642 WeakPolarHBondContact OG-CD2 3.39Å; S640-Y642 WeakPolarHBondContact OG-CE2 3.35Å
641T81.2Confident79.6Confident1 Ų147.5 Ų47.51%0.00623%0.231CC..EExtended strand (participates in β ladder)trans-126.842.8-179.748.40000112.1N523 P524 R525 S644 T646 L648N523-T641 PolarHBondContact ND2-O 3.36Å; P524-T641 HydrophobicContact CG-CG2 4.26Å; R525-T641 HydrophobicContact CB-CG2 4.12Å; T641-S644 CarbonylContact C-O 3.55Å; T641-S644 WeakPolarHBondContact O-CB 3.49Å; T641-S644 PolarHBondContact O-N 2.98Å; T641-T646 PolarHBondContact OG1-O 3.29Å; T641-L648 HydrophobicContact CG2-CB 4.49Å; T641-L648 HydrophobicContact CG2-CD1 3.63Å; T641-L648 HydrophobicContact CG2-CG 3.77Å
642Y77.2Confident79.4Confident92 Ų9245.9 Ų45.936%0.36122%0.224SC..THydrogen-bonded Turntrans-48.3135172.5-68.2-71.3000111.5F215 Y520 N523 S640F215-Y642 HydrophobicContact CE2-CD1 4.48Å; F215-Y642 AromaticContact CE2-CE1 3.48Å; F215-Y642 HydrophobicContact CE2-CE1 3.48Å; F215-Y642 VanDerWaalsContact CE2-CE1 3.48Å; F215-Y642 AromaticContact CE2-CZ 3.63Å; F215-Y642 WeakPolarHBondContact CE2-OH 3.41Å; F215-Y642 HydrophobicContact CZ-CE1 4.1Å; Y520-Y642 VanDerWaalsContact CE1-CB 3.49Å; Y520-Y642 HydrophobicContact CE1-CG 4.34Å; N523-Y642 PolarHBondContact ND2-O 2.94Å; S640-Y642 WeakPolarHBondContact OG-CD2 3.39Å; S640-Y642 WeakPolarHBondContact OG-CE2 3.35Å
643P68Low79.3Confident3 Ų341.5 Ų41.52%0.01921%0.205CC..THydrogen-bonded Turncis-89.2-0.918.536.9-36.9000113.8E491 Y494 Y520 P645E491-P643 HydrophobicContact CB-CB 4.38Å; E491-P643 HydrophobicContact CG-CB 3.58Å; E491-P643 HydrophobicContact CG-CG 4.47Å; Y494-P643 HydrophobicContact CD1-CG 4.35Å; Y494-P643 HydrophobicContact CD2-CG 4.05Å; Y494-P643 HydrophobicContact CG-CG 3.73Å; Y520-P643 HydrophobicContact CD2-CG 4.44Å; Y520-P643 HydrophobicContact CE2-CB 3.74Å; Y520-P643 HydrophobicContact CE2-CG 4.03Å; P643-P645 WeakPolarHBondContact O-CD 3.33Å
644S70.5Confident79.2Confident4 Ų440.2 Ų40.23%0.02820%0.2CC..EExtended strand (participates in β ladder)trans-67129.9171.5-176.60000110.3T641 T646T641-S644 CarbonylContact C-O 3.55Å; T641-S644 WeakPolarHBondContact O-CB 3.49Å; T641-S644 PolarHBondContact O-N 2.98Å; S644-T646 PolarHBondContact O-N 3.1Å; S644-T646 PolarHBondContact OG-N 3.04Å
645P59.4Low79.1Confident26 Ų2640.9 Ų40.917%0.16920%0.203CC..EExtended strand (participates in β ladder)trans-74-16.7176.921.5-23.4000113.1F215 P643 P647 T1055F215-P645 VanDerWaalsContact CD1-O 3.29Å; F215-P645 WeakPolarHBondContact CD1-O 3.29Å; F215-P645 VanDerWaalsContact CE1-C 3.49Å; F215-P645 VanDerWaalsContact CE1-CA 3.42Å; F215-P645 HydrophobicContact CE1-CB 3.3Å; F215-P645 WeakPolarHBondContact CE1-O 3.32Å; F215-P645 HydrophobicContact CZ-CB 3.48Å; F215-P645 VanDerWaalsContact CZ-CB 3.48Å; F215-P645 WeakPolarHBondContact CZ-O 3.45Å; P643-P645 WeakPolarHBondContact O-CD 3.33Å; P645-P647 WeakPolarHBondContact O-CD 3.44Å; P645-T1055 HydrophobicContact CB-CG2 4.45Å; P645-T1055 HydrophobicContact CG-CG2 3.19Å
646T69.1Low79.3Confident32 Ų3236.8 Ų36.820%0.19618%0.181CC..EExtended strand (participates in β ladder)trans-86113.5-179.5-29.60000109.7T641 S644 N1057T641-T646 PolarHBondContact OG1-O 3.29Å; S644-T646 PolarHBondContact O-N 3.1Å; S644-T646 PolarHBondContact OG-N 3.04Å; T646-N1057 VanDerWaalsContact CB-OD1 3.28Å; T646-N1057 WeakPolarHBondContact CB-OD1 3.27Å; T646-N1057 WeakPolarHBondContact CG2-OD1 3.33Å; T646-N1057 PolarHBondContact OG1-OD1 2.99Å
647P73.7Confident79.4Confident21 Ų2129.5 Ų29.514%0.13615%0.15CC..EExtended strand (participates in β ladder)trans-68.4159.9175.928.3-32.9000111.3F638 I639 P645 F649F638-P647 HydrophobicContact CD1-CB 4.07Å; F638-P647 HydrophobicContact CD1-CG 3.7Å; F638-P647 HydrophobicContact CE1-CG 3.73Å; I639-P647 CarbonylContact O-C 3.04Å; I639-P647 VanDerWaalsContact O-CA 3.29Å; I639-P647 WeakPolarHBondContact O-CA 3.43Å; I639-P647 VanDerWaalsContact O-CB 3.32Å; I639-P647 WeakPolarHBondContact O-CB 3.26Å; P645-P647 WeakPolarHBondContact O-CD 3.44Å; P647-F649 HydrophobicContact CG-CD1 4.06Å; P647-F649 HydrophobicContact CG-CE1 4.4Å; P647-F649 WeakPolarHBondContact O-CD1 3.44Å
648L79.3Confident79.5Confident3 Ų327.3 Ų27.32%0.01614%0.14CC..EExtended strand (participates in β ladder)trans-80117.6166.2-73.9168.4000109.4P524 I639 T641 L653 F656P524-L648 HydrophobicContact CG-CD1 4.18Å; I639-L648 HydrophobicContact CB-CB 4.11Å; I639-L648 HydrophobicContact CD1-CB 4.22Å; I639-L648 PolarHBondContact N-O 3.18Å; I639-L648 VanDerWaalsContact N-O 3.12Å; I639-L648 PolarHBondContact O-N 3.31Å; T641-L648 HydrophobicContact CG2-CB 4.49Å; T641-L648 HydrophobicContact CG2-CD1 3.63Å; T641-L648 HydrophobicContact CG2-CG 3.77Å; L648-L653 HydrophobicContact CB-CD1 4.49Å; L648-F656 HydrophobicContact CD1-CD1 4.34Å; L648-F656 HydrophobicContact CD1-CD2 3.66Å; L648-F656 HydrophobicContact CD1-CE2 4.05Å; L648-F656 HydrophobicContact CD1-CG 3.89Å; L648-F656 HydrophobicContact CD2-CB 3.98Å; L648-F656 HydrophobicContact CD2-CD2 3.82Å; L648-F656 HydrophobicContact CD2-CG 4.09Å; L648-F656 HydrophobicContact CG-CD2 4.41Å
649F82.6Confident79.8Confident87 Ų8720.8 Ų20.838%0.38211%0.111SC..  trans-151.1170.1174.669.6-81.1000111.1Q637 P647 I651 G652 L653Q637-F649 WeakPolarHBondContact O-CB 3.18Å; P647-F649 HydrophobicContact CG-CD1 4.06Å; P647-F649 HydrophobicContact CG-CE1 4.4Å; P647-F649 WeakPolarHBondContact O-CD1 3.44Å; F649-I651 PolarHBondContact O-N 3.39Å; F649-G652 PolarHBondContact O-N 3.45Å; F649-L653 PolarHBondContact O-N 3.38Å; F649-L653 VanDerWaalsContact O-N 3.13Å
650G83.1Confident80.2Confident1 Ų120 Ų201%0.0111%0.107CC..Hα-helixtrans56.5-133.7170.400000114S634 N635 G652 L653 L654S634-G650 WeakPolarHBondContact CB-O 3.28Å; S634-G650 PolarHBondContact O-N 3.48Å; S634-G650 VanDerWaalsContact OG-C 3.23Å; S634-G650 WeakPolarHBondContact OG-CA 3.45Å; S634-G650 PolarHBondContact OG-O 2.86Å; N635-G650 WeakPolarHBondContact OD1-CA 3.43Å; G650-G652 VanDerWaalsContact C-N 3.34Å; G650-L653 PolarHBondContact O-N 2.88Å; G650-L654 PolarHBondContact O-N 2.87Å
651I80.4Confident80.6Confident62 Ų6218.4 Ų18.432%0.3189%0.093SC..Hα-helixtrans-67.5-33.6179.3-168.761.6000112.6F649 L653 L654 H655 I713F649-I651 PolarHBondContact O-N 3.39Å; I651-L653 VanDerWaalsContact C-N 3.3Å; I651-L653 PolarHBondContact O-N 3.48Å; I651-L654 HydrophobicContact CD1-CD1 4.43Å; I651-L654 PolarHBondContact O-N 2.89Å; I651-L654 VanDerWaalsContact O-N 3.12Å; I651-H655 PolarHBondContact O-N 2.89Å; I651-I713 HydrophobicContact CD1-CG2 3.32Å
652G78.6Confident81.1Confident11 Ų1118.4 Ų18.411%0.1139%0.093CC..Hα-helixtrans-61.7-38.5178.400000112.2F649 G650 F656F649-G652 PolarHBondContact O-N 3.45Å; G650-G652 VanDerWaalsContact C-N 3.34Å; G652-F656 WeakPolarHBondContact O-CB 3.13Å; G652-F656 PolarHBondContact O-N 2.96Å
653L84.7Confident81.9Confident0 Ų014.5 Ų14.50%08%0.079CC..Hα-helixtrans-63.6-43.2172.5173.356.9000112.5I605 P606 W633 Q637 I639 L648 F649 G650 I651 F656 L657I605-L653 HydrophobicContact CG2-CD1 3.68Å; P606-L653 HydrophobicContact CG-CD2 4.49Å; W633-L653 HydrophobicContact CH2-CD2 4.37Å; W633-L653 HydrophobicContact CZ3-CD2 4.18Å; Q637-L653 HydrophobicContact CB-CD2 3.58Å; Q637-L653 HydrophobicContact CG-CD2 3.79Å; I639-L653 HydrophobicContact CD1-CD1 3.42Å; I639-L653 VanDerWaalsContact CD1-CD1 3.42Å; I639-L653 HydrophobicContact CD1-CD2 3.79Å; I639-L653 HydrophobicContact CD1-CG 4.22Å; L648-L653 HydrophobicContact CB-CD1 4.49Å; F649-L653 PolarHBondContact O-N 3.38Å; F649-L653 VanDerWaalsContact O-N 3.13Å; G650-L653 PolarHBondContact O-N 2.88Å; I651-L653 VanDerWaalsContact C-N 3.3Å; I651-L653 PolarHBondContact O-N 3.48Å; L653-F656 WeakPolarHBondContact O-CB 3.44Å; L653-F656 PolarHBondContact O-N 2.88Å; L653-L657 HydrophobicContact CD1-CD1 4.35Å; L653-L657 HydrophobicContact CD1-CG 4.28Å; L653-L657 HydrophobicContact CG-CD1 4.36Å; L653-L657 WeakPolarHBondContact O-CG 3.42Å; L653-L657 PolarHBondContact O-N 3.35Å
654L86.3Confident83.2Confident0 Ų014.9 Ų14.90%08%0.081CC..Hα-helixtrans-67.2-40-179.8-62.1173.9000111.4L630 V631 W633 G650 I651 F656 L657 S658 L710 I713L630-L654 HydrophobicContact CD1-CD2 3.93Å; L630-L654 HydrophobicContact CD2-CD2 4.17Å; L630-L654 HydrophobicContact CG-CD1 4.13Å; L630-L654 HydrophobicContact CG-CD2 3.85Å; V631-L654 HydrophobicContact CG2-CD1 4.31Å; W633-L654 HydrophobicContact CZ3-CD2 4.39Å; G650-L654 PolarHBondContact O-N 2.87Å; I651-L654 HydrophobicContact CD1-CD1 4.43Å; I651-L654 PolarHBondContact O-N 2.89Å; I651-L654 VanDerWaalsContact O-N 3.12Å; L654-F656 VanDerWaalsContact C-N 3.34Å; L654-L657 HydrophobicContact CD2-CD1 4.46Å; L654-L657 PolarHBondContact O-N 3.31Å; L654-S658 PolarHBondContact O-N 3.48Å; L654-L710 HydrophobicContact CB-CD2 4.37Å; L654-L710 HydrophobicContact CD2-CD2 3.96Å; L654-I713 HydrophobicContact CB-CG2 3.94Å; L654-I713 HydrophobicContact CD1-CD1 3.66Å; L654-I713 HydrophobicContact CD1-CG2 4.05Å
655H83.2Confident84.3Confident13 Ų1314.7 Ų14.76%0.068%0.079CC..Hα-helixtrans-62.9-41.7171.2-67.9168.8000111.5I651 S658 A659 F769I651-H655 PolarHBondContact O-N 2.89Å; H655-S658 PolarHBondContact O-N 3.25Å; H655-S658 PolarHBondContact O-OG 2.9Å; H655-A659 PolarHBondContact O-N 2.81Å; H655-F769 HydrophobicContact CB-CE1 4.33Å; H655-F769 AromaticContact ND1-CD1 3.6Å; H655-F769 AromaticContact ND1-CE1 3.86Å
656F86.3Confident86Confident0 Ų015 Ų150%08%0.078CC..Hα-helixtrans-58.3-48.7174.2-172-70.5000112.7P524 R525 F528 I605 L648 G652 L653 L654 S658 A659 L660 W1062P524-F656 HydrophobicContact CB-CZ 4.43Å; R525-F656 HydrophobicContact CB-CE2 3.91Å; R525-F656 HydrophobicContact CG-CE2 4.04Å; F528-F656 HydrophobicContact CB-CE2 4.3Å; F528-F656 HydrophobicContact CB-CZ 3.77Å; F528-F656 HydrophobicContact CD2-CZ 4.43Å; F528-F656 HydrophobicContact CG-CE2 4.4Å; F528-F656 HydrophobicContact CG-CZ 4.08Å; I605-F656 HydrophobicContact CD1-CD1 3.3Å; I605-F656 HydrophobicContact CD1-CE1 3.08Å; I605-F656 HydrophobicContact CD1-CG 4.46Å; I605-F656 HydrophobicContact CD1-CZ 4.09Å; L648-F656 HydrophobicContact CD1-CD1 4.34Å; L648-F656 HydrophobicContact CD1-CD2 3.66Å; L648-F656 HydrophobicContact CD1-CE2 4.05Å; L648-F656 HydrophobicContact CD1-CG 3.89Å; L648-F656 HydrophobicContact CD2-CB 3.98Å; L648-F656 HydrophobicContact CD2-CD2 3.82Å; L648-F656 HydrophobicContact CD2-CG 4.09Å; L648-F656 HydrophobicContact CG-CD2 4.41Å; G652-F656 WeakPolarHBondContact O-CB 3.13Å; G652-F656 PolarHBondContact O-N 2.96Å; L653-F656 WeakPolarHBondContact O-CB 3.44Å; L653-F656 PolarHBondContact O-N 2.88Å; L654-F656 VanDerWaalsContact C-N 3.34Å; F656-S658 VanDerWaalsContact C-N 3.26Å; F656-S658 PolarHBondContact O-N 3.33Å; F656-A659 PolarHBondContact O-N 2.85Å; F656-L660 HydrophobicContact CD1-CB 4.46Å; F656-L660 HydrophobicContact CE1-CB 4.25Å; F656-L660 HydrophobicContact CE1-CD2 4.34Å; F656-L660 VanDerWaalsContact O-CB 3.27Å; F656-L660 WeakPolarHBondContact O-CB 3.43Å; F656-L660 PolarHBondContact O-N 3.47Å; F656-W1062 VanDerWaalsContact CA-CH2 3.49Å; F656-W1062 HydrophobicContact CB-CH2 3.82Å; F656-W1062 HydrophobicContact CB-CZ2 3.71Å; F656-W1062 AromaticContact CD2-CH2 3.23Å; F656-W1062 HydrophobicContact CD2-CH2 3.23Å; F656-W1062 AromaticContact CD2-CZ2 3.82Å; F656-W1062 HydrophobicContact CD2-CZ2 3.82Å; F656-W1062 HydrophobicContact CD2-CZ3 4.29Å; F656-W1062 AromaticContact CE2-CH2 3.73Å; F656-W1062 HydrophobicContact CE2-CH2 3.73Å; F656-W1062 HydrophobicContact CE2-CZ3 4.42Å; F656-W1062 AromaticContact CG-CH2 3.64Å; F656-W1062 HydrophobicContact CG-CH2 3.64Å; F656-W1062 HydrophobicContact CG-CZ2 4.06Å
657L89.6Confident87.1Confident9 Ų913.5 Ų13.55%0.0477%0.068CC..Hα-helixtrans-58.1-40.4175.9-77.6169.5000111.9I605 L653 L654 L660 H661 L710I605-L657 HydrophobicContact CB-CD2 4.45Å; I605-L657 HydrophobicContact CG2-CD2 3.56Å; I605-L657 HydrophobicContact CG2-CG 4.1Å; L653-L657 HydrophobicContact CD1-CD1 4.35Å; L653-L657 HydrophobicContact CD1-CG 4.28Å; L653-L657 HydrophobicContact CG-CD1 4.36Å; L653-L657 WeakPolarHBondContact O-CG 3.42Å; L653-L657 PolarHBondContact O-N 3.35Å; L654-L657 HydrophobicContact CD2-CD1 4.46Å; L654-L657 PolarHBondContact O-N 3.31Å; L657-L660 PolarHBondContact O-N 3.49Å; L657-H661 PolarHBondContact O-CD2 3.5Å; L657-H661 PolarHBondContact O-N 3.06Å; L657-L710 HydrophobicContact CB-CD1 3.71Å; L657-L710 HydrophobicContact CB-CD2 4.35Å
658S87.6Confident88.1Confident0 Ų012.5 Ų12.50%06%0.062CC..Hα-helixtrans-65.9-46.8177.6750000112L654 H655 F656 L660 H661 V662 I684 H718L654-S658 PolarHBondContact O-N 3.48Å; H655-S658 PolarHBondContact O-N 3.25Å; H655-S658 PolarHBondContact O-OG 2.9Å; F656-S658 VanDerWaalsContact C-N 3.26Å; F656-S658 PolarHBondContact O-N 3.33Å; S658-L660 VanDerWaalsContact C-N 3.31Å; S658-L660 PolarHBondContact O-N 3.13Å; S658-H661 PolarHBondContact O-N 2.8Å; S658-V662 VanDerWaalsContact O-CG2 3.31Å; S658-V662 WeakPolarHBondContact O-CG2 3.25Å; S658-V662 PolarHBondContact O-N 2.86Å; S658-I684 WeakPolarHBondContact O-CD1 3.48Å; S658-H718 PolarHBondContact OG-CE1 3.37Å; S658-H718 PolarHBondContact OG-ND1 3.2Å
659A88.4Confident88.8Confident1 Ų113.1 Ų13.11%0.0087%0.065CC..Hα-helixtrans-63.6-38.9177.800000111.8F528 H655 F656 V662 N663 W1062F528-A659 HydrophobicContact CZ-CB 4.41Å; H655-A659 PolarHBondContact O-N 2.81Å; F656-A659 PolarHBondContact O-N 2.85Å; A659-V662 PolarHBondContact O-N 3.04Å; A659-N663 PolarHBondContact O-N 3.23Å; A659-N663 PolarHBondContact O-ND2 2.97Å; A659-W1062 HydrophobicContact CB-CD2 3.44Å; A659-W1062 VanDerWaalsContact CB-CD2 3.44Å; A659-W1062 HydrophobicContact CB-CE3 3.28Å; A659-W1062 HydrophobicContact CB-CG 4.14Å; A659-W1062 HydrophobicContact CB-CH2 3.67Å; A659-W1062 HydrophobicContact CB-CZ2 3.94Å; A659-W1062 HydrophobicContact CB-CZ3 3.34Å
660L92.1Very high89.1Confident0 Ų010.5 Ų10.50%06%0.057CC..Hα-helixtrans-57.9-50.4175.1-179.767000111.3F528 L598 A601 I605 F656 L657 S658 N663 I664F528-L660 HydrophobicContact CD2-CD1 4.03Å; L598-L660 HydrophobicContact CB-CD1 4.31Å; L598-L660 HydrophobicContact CD2-CD1 3.72Å; A601-L660 HydrophobicContact CB-CD1 3.79Å; I605-L660 HydrophobicContact CD1-CD2 4.21Å; F656-L660 HydrophobicContact CD1-CB 4.46Å; F656-L660 HydrophobicContact CE1-CB 4.25Å; F656-L660 HydrophobicContact CE1-CD2 4.34Å; F656-L660 VanDerWaalsContact O-CB 3.27Å; F656-L660 WeakPolarHBondContact O-CB 3.43Å; F656-L660 PolarHBondContact O-N 3.47Å; L657-L660 PolarHBondContact O-N 3.49Å; S658-L660 VanDerWaalsContact C-N 3.31Å; S658-L660 PolarHBondContact O-N 3.13Å; L660-N663 PolarHBondContact O-N 3.23Å; L660-I664 HydrophobicContact CD1-CD1 4.29Å; L660-I664 HydrophobicContact CG-CD1 3.95Å; L660-I664 VanDerWaalsContact O-CG1 3.29Å; L660-I664 WeakPolarHBondContact O-CG1 3.39Å; L660-I664 PolarHBondContact O-N 2.9Å
661H92.3Very high89.5Confident20 Ų2011.7 Ų11.79%0.0936%0.063CC..Hα-helixtrans-68.5-33.6-179.9-78.8-58.3000113.4L657 S658 I664 S665 L683 I684L657-H661 PolarHBondContact O-CD2 3.5Å; L657-H661 PolarHBondContact O-N 3.06Å; S658-H661 PolarHBondContact O-N 2.8Å; H661-I664 PolarHBondContact O-N 2.93Å; H661-S665 WeakPolarHBondContact O-CB 3.48Å; H661-S665 PolarHBondContact O-N 3.47Å; H661-S665 PolarHBondContact O-OG 2.85Å; H661-L683 WeakPolarHBondContact CE1-CD1 3.27Å; H661-L683 WeakPolarHBondContact NE2-CD1 3.24Å; H661-I684 HydrophobicContact CB-CD1 3.43Å; H661-I684 VanDerWaalsContact CB-CD1 3.43Å; H661-I684 HydrophobicContact CB-CG1 4.15Å
662V91.5Very high90.1Very high1 Ų112.2 Ų12.21%0.0067%0.066CC..Hα-helixtrans-58.8-50.1170.1173.90000110.1S658 A659 I664 S665 Y666 I684 H718 L721 Y725 L1065S658-V662 VanDerWaalsContact O-CG2 3.31Å; S658-V662 WeakPolarHBondContact O-CG2 3.25Å; S658-V662 PolarHBondContact O-N 2.86Å; A659-V662 PolarHBondContact O-N 3.04Å; V662-I664 PolarHBondContact O-N 2.88Å; V662-S665 PolarHBondContact O-N 3.13Å; V662-S665 PolarHBondContact O-OG 2.72Å; V662-Y666 PolarHBondContact O-N 3.04Å; V662-I684 HydrophobicContact CG2-CD1 3.87Å; V662-H718 HydrophobicContact CG2-CB 3.48Å; V662-H718 VanDerWaalsContact CG2-CB 3.48Å; V662-L721 HydrophobicContact CG1-CB 4.38Å; V662-L721 HydrophobicContact CG1-CD1 4.18Å; V662-Y725 HydrophobicContact CG1-CE2 4.18Å; V662-L1065 HydrophobicContact CG1-CD1 3.84Å
663N93.5Very high90.8Very high10 Ų1016.3 Ų16.35%0.0538%0.082CC..Hα-helixtrans-66.6-39-179.1-79.4-85.8000112.1F528 I535 L598 A659 L660 S665 Y666 V667F528-N663 HydrophobicContact CE2-CB 4.06Å; F528-N663 WeakPolarHBondContact CE2-ND2 3.23Å; F528-N663 WeakPolarHBondContact CZ-ND2 2.92Å; I535-N663 HydrophobicContact CD1-CB 4.31Å; I535-N663 WeakPolarHBondContact CD1-OD1 3.32Å; L598-N663 HydrophobicContact CD1-CB 4Å; L598-N663 HydrophobicContact CD2-CB 3.75Å; A659-N663 PolarHBondContact O-N 3.23Å; A659-N663 PolarHBondContact O-ND2 2.97Å; L660-N663 PolarHBondContact O-N 3.23Å; N663-S665 VanDerWaalsContact C-N 3.31Å; N663-S665 PolarHBondContact O-N 3.46Å; N663-Y666 PolarHBondContact O-N 3.31Å; N663-V667 WeakPolarHBondContact O-CB 3.45Å; N663-V667 VanDerWaalsContact O-CG2 3.32Å; N663-V667 WeakPolarHBondContact O-CG2 3.33Å; N663-V667 PolarHBondContact O-N 3.18Å
664I95.3Very high91.3Very high11 Ų1117.8 Ų17.86%0.0569%0.089CC..Hα-helixtrans-58.6-47.2172.5-69.5167.3000109.8F595 L598 L660 H661 V662 Y666 V667 A668 S680F595-I664 HydrophobicContact CE2-CG2 4.11Å; L598-I664 HydrophobicContact CB-CD1 4.46Å; L598-I664 HydrophobicContact CB-CG1 3.68Å; L598-I664 HydrophobicContact CD1-CG1 4.18Å; L598-I664 HydrophobicContact CG-CG1 4.36Å; L660-I664 HydrophobicContact CD1-CD1 4.29Å; L660-I664 HydrophobicContact CG-CD1 3.95Å; L660-I664 VanDerWaalsContact O-CG1 3.29Å; L660-I664 WeakPolarHBondContact O-CG1 3.39Å; L660-I664 PolarHBondContact O-N 2.9Å; H661-I664 PolarHBondContact O-N 2.93Å; V662-I664 PolarHBondContact O-N 2.88Å; I664-Y666 VanDerWaalsContact C-N 3.33Å; I664-Y666 PolarHBondContact O-N 2.63Å; I664-V667 PolarHBondContact O-N 2.73Å; I664-A668 WeakPolarHBondContact O-CB 3.29Å; I664-A668 PolarHBondContact O-N 3.4Å; I664-S680 WeakPolarHBondContact CG2-OG 3.3Å
665S94.4Very high91.6Very high0 Ų023 Ų230%012%0.121CC..Hα-helixtrans-63.9-38.4-179.1680000112.6H661 V662 N663 L669 V677 Y725H661-S665 WeakPolarHBondContact O-CB 3.48Å; H661-S665 PolarHBondContact O-N 3.47Å; H661-S665 PolarHBondContact O-OG 2.85Å; V662-S665 PolarHBondContact O-N 3.13Å; V662-S665 PolarHBondContact O-OG 2.72Å; N663-S665 VanDerWaalsContact C-N 3.31Å; N663-S665 PolarHBondContact O-N 3.46Å; S665-L669 VanDerWaalsContact O-CB 3.27Å; S665-L669 WeakPolarHBondContact O-CB 3.38Å; S665-L669 PolarHBondContact O-N 3.23Å; S665-V677 WeakPolarHBondContact O-CG2 3.32Å; S665-Y725 VanDerWaalsContact OG-CD2 3.31Å; S665-Y725 WeakPolarHBondContact OG-CD2 3.28Å
666Y93.3Very high92.1Very high34 Ų3424 Ų2413%0.13313%0.127CC..Hα-helixtrans-66.4-52.4176.9175.5-100.8000111.9I535 C539 M591 V662 N663 I664 A668 L669 C670 Y725I535-Y666 HydrophobicContact CD1-CD1 4.27Å; I535-Y666 HydrophobicContact CG1-CD1 4.24Å; I535-Y666 HydrophobicContact CG1-CE1 4.29Å; I535-Y666 HydrophobicContact CG2-CD1 4.13Å; I535-Y666 HydrophobicContact CG2-CE1 3.67Å; C539-Y666 WeakPolarHBondContact CB-OH 3.25Å; C539-Y666 PolarHBondContact SG-OH 3.46Å; M591-Y666 HydrophobicContact CE-CE1 4.33Å; V662-Y666 PolarHBondContact O-N 3.04Å; N663-Y666 PolarHBondContact O-N 3.31Å; I664-Y666 VanDerWaalsContact C-N 3.33Å; I664-Y666 PolarHBondContact O-N 2.63Å; Y666-A668 PolarHBondContact O-N 3.3Å; Y666-L669 WeakPolarHBondContact O-CB 3.39Å; Y666-L669 PolarHBondContact O-N 3.09Å; Y666-C670 PolarHBondContact O-N 2.85Å; Y666-C670 PolarHBondContact O-SG 3.13Å; Y666-C670 VanDerWaalsContact O-SG 3.36Å; Y666-Y725 AromaticContact CD2-CE1 3.98Å; Y666-Y725 HydrophobicContact CD2-CE1 3.98Å; Y666-Y725 HydrophobicContact CD2-CE2 4.37Å; Y666-Y725 AromaticContact CD2-CZ 3.73Å
667V94Very high92.5Very high0 Ų024 Ų240%013%0.127CC..Hα-helixtrans-63.2-43.4-179.2172.50000111I535 M591 A594 F595 L598 N663 I664 L669 C670 L671I535-V667 HydrophobicContact CD1-CG2 3.65Å; I535-V667 HydrophobicContact CG1-CG2 3.71Å; M591-V667 HydrophobicContact CG-CG1 3.96Å; M591-V667 WeakPolarHBondContact O-CG1 3.35Å; M591-V667 HydrophobicContact SD-CB 4.14Å; M591-V667 HydrophobicContact SD-CG1 3.83Å; M591-V667 HydrophobicContact SD-CG2 3.83Å; A594-V667 HydrophobicContact CB-CG1 4.2Å; A594-V667 HydrophobicContact CB-CG2 4.13Å; F595-V667 HydrophobicContact CB-CG1 3.66Å; F595-V667 HydrophobicContact CD2-CG1 4.03Å; F595-V667 HydrophobicContact CG-CG1 4.31Å; L598-V667 HydrophobicContact CD1-CB 4.16Å; L598-V667 HydrophobicContact CD1-CG2 3.76Å; N663-V667 WeakPolarHBondContact O-CB 3.45Å; N663-V667 VanDerWaalsContact O-CG2 3.32Å; N663-V667 WeakPolarHBondContact O-CG2 3.33Å; N663-V667 PolarHBondContact O-N 3.18Å; I664-V667 PolarHBondContact O-N 2.73Å; V667-L669 VanDerWaalsContact C-N 3.29Å; V667-L669 PolarHBondContact O-N 2.8Å; V667-C670 WeakPolarHBondContact O-CB 3.35Å; V667-C670 PolarHBondContact O-N 3.04Å; V667-L671 HydrophobicContact CG1-CD1 4.01Å; V667-L671 WeakPolarHBondContact O-CG 3.49Å; V667-L671 PolarHBondContact O-N 3.36Å
668A94.8Very high92.7Very high0 Ų026.1 Ų26.10%014%0.137CC..Hα-helixtrans-60.3-40.1175.700000111.6F595 I664 Y666 L671 N672 E673 D676 V677F595-A668 HydrophobicContact CE2-CB 4.02Å; I664-A668 WeakPolarHBondContact O-CB 3.29Å; I664-A668 PolarHBondContact O-N 3.4Å; Y666-A668 PolarHBondContact O-N 3.3Å; A668-L671 CarbonylContact O-C 3.33Å; A668-L671 PolarHBondContact O-N 3.2Å; A668-N672 PolarHBondContact O-N 2.98Å; A668-E673 HydrophobicContact CB-CB 4.12Å; A668-E673 PolarHBondContact O-N 2.92Å; A668-D676 HydrophobicContact CB-CB 3.95Å; A668-V677 HydrophobicContact CB-CG2 3.67Å
669L92.5Very high92.8Very high15 Ų1530.2 Ų30.28%0.07916%0.156CC..Hα-helixtrans-62.2-44.7175.1-174.766.8000111.3S665 Y666 V667 L671 N672 F674 V677 Y725 E728 A729S665-L669 VanDerWaalsContact O-CB 3.27Å; S665-L669 WeakPolarHBondContact O-CB 3.38Å; S665-L669 PolarHBondContact O-N 3.23Å; Y666-L669 WeakPolarHBondContact O-CB 3.39Å; Y666-L669 PolarHBondContact O-N 3.09Å; V667-L669 VanDerWaalsContact C-N 3.29Å; V667-L669 PolarHBondContact O-N 2.8Å; L669-L671 VanDerWaalsContact C-N 3.26Å; L669-L671 PolarHBondContact O-N 3.44Å; L669-N672 PolarHBondContact O-N 2.66Å; L669-N672 VanDerWaalsContact O-N 3.08Å; L669-F674 HydrophobicContact CD1-CD1 4.21Å; L669-F674 HydrophobicContact CD1-CE1 4.11Å; L669-V677 HydrophobicContact CB-CG2 3.95Å; L669-V677 HydrophobicContact CD1-CG2 4.49Å; L669-Y725 HydrophobicContact CD2-CD1 3.92Å; L669-Y725 HydrophobicContact CD2-CG 4.34Å; L669-E728 HydrophobicContact CD1-CB 4.27Å; L669-E728 HydrophobicContact CD1-CG 4.07Å; L669-E728 HydrophobicContact CD2-CB 4.36Å; L669-E728 HydrophobicContact CD2-CG 4.38Å; L669-A729 HydrophobicContact CD1-CB 4.47Å
670C90.2Very high92.9Very high32 Ų3230.4 Ų30.422%0.21616%0.157CC..Hα-helixtrans-61.6-32.3175.3-63.90000113.4M591 Y666 V667 N672M591-C670 HydrophobicContact CE-CB 3.79Å; M591-C670 HydrophobicContact CG-CB 4Å; M591-C670 HydrophobicContact SD-CB 4.19Å; Y666-C670 PolarHBondContact O-N 2.85Å; Y666-C670 PolarHBondContact O-SG 3.13Å; Y666-C670 VanDerWaalsContact O-SG 3.36Å; V667-C670 WeakPolarHBondContact O-CB 3.35Å; V667-C670 PolarHBondContact O-N 3.04Å; C670-N672 VanDerWaalsContact C-N 3.33Å
671L91.5Very high92.9Very high27 Ų2730.4 Ų30.414%0.14116%0.158CC..Hα-helixtrans-84.8-3.9177.1-64.6176.1000113.5M591 E592 F595 V667 A668 L669 E673M591-L671 HydrophobicContact CB-CD2 4Å; M591-L671 HydrophobicContact CG-CD2 3.87Å; M591-L671 HydrophobicContact CG-CG 3.96Å; E592-L671 HydrophobicContact CG-CD2 4.01Å; F595-L671 HydrophobicContact CB-CD1 3.78Å; F595-L671 HydrophobicContact CG-CD1 4.11Å; V667-L671 HydrophobicContact CG1-CD1 4.01Å; V667-L671 WeakPolarHBondContact O-CG 3.49Å; V667-L671 PolarHBondContact O-N 3.36Å; A668-L671 CarbonylContact O-C 3.33Å; A668-L671 PolarHBondContact O-N 3.2Å; L669-L671 VanDerWaalsContact C-N 3.26Å; L669-L671 PolarHBondContact O-N 3.44Å; L671-E673 VanDerWaalsContact C-N 3.33Å; L671-E673 HydrophobicContact CB-CG 4.11Å
672N92.7Very high92.7Very high72 Ų7231 Ų3139%0.38516%0.164SC..THydrogen-bonded Turntrans64.428-171.8-54.4-61.6000114.7A668 L669 C670 F674A668-N672 PolarHBondContact O-N 2.98Å; L669-N672 PolarHBondContact O-N 2.66Å; L669-N672 VanDerWaalsContact O-N 3.08Å; C670-N672 VanDerWaalsContact C-N 3.33Å; N672-F674 HydrophobicContact CB-CE1 4.36Å; N672-F674 HydrophobicContact CB-CE2 4.01Å; N672-F674 HydrophobicContact CB-CZ 3.71Å; N672-F674 WeakPolarHBondContact O-CD2 2.92Å; N672-F674 WeakPolarHBondContact O-CE2 3.38Å; N672-F674 PolarHBondContact O-N 3.41Å
673E93.7Very high92.4Very high97 Ų9731.9 Ų31.945%0.45317%0.168SC..  trans-90.566176.4-63.9-62166.300111A668 L671 V675 D676 V677A668-E673 HydrophobicContact CB-CB 4.12Å; A668-E673 PolarHBondContact O-N 2.92Å; L671-E673 VanDerWaalsContact C-N 3.33Å; L671-E673 HydrophobicContact CB-CG 4.11Å; E673-V675 PolarHBondContact O-N 3.48Å; E673-V675 VanDerWaalsContact O-N 3.1Å; E673-D676 PolarHBondContact O-N 2.89Å; E673-D676 VanDerWaalsContact O-N 3.12Å; E673-V677 PolarHBondContact O-N 3.36Å
674F95Very high92Very high31 Ų3131.4 Ų31.414%0.13617%0.166CC..Hα-helixtrans-61-25.1-170.2-52.3-59.7000114.6L669 N672 V677 I678 A729 Y732 L733L669-F674 HydrophobicContact CD1-CD1 4.21Å; L669-F674 HydrophobicContact CD1-CE1 4.11Å; N672-F674 HydrophobicContact CB-CE1 4.36Å; N672-F674 HydrophobicContact CB-CE2 4.01Å; N672-F674 HydrophobicContact CB-CZ 3.71Å; N672-F674 WeakPolarHBondContact O-CD2 2.92Å; N672-F674 WeakPolarHBondContact O-CE2 3.38Å; N672-F674 PolarHBondContact O-N 3.41Å; F674-V677 PolarHBondContact O-N 3.24Å; F674-I678 WeakPolarHBondContact O-CG1 3.39Å; F674-I678 PolarHBondContact O-N 3.22Å; F674-I678 VanDerWaalsContact O-N 3.08Å; F674-A729 HydrophobicContact CB-CB 4.14Å; F674-A729 HydrophobicContact CD1-CB 4.02Å; F674-Y732 HydrophobicContact CD1-CD2 4.26Å; F674-Y732 HydrophobicContact CD1-CG 4.34Å; F674-Y732 HydrophobicContact CE1-CD1 4.29Å; F674-Y732 AromaticContact CE1-CD2 3.41Å; F674-Y732 HydrophobicContact CE1-CD2 3.41Å; F674-Y732 VanDerWaalsContact CE1-CD2 3.41Å; F674-Y732 HydrophobicContact CE1-CE2 4.15Å; F674-Y732 AromaticContact CE1-CG 3.5Å; F674-Y732 HydrophobicContact CE1-CG 3.5Å; F674-Y732 HydrophobicContact CE2-CD1 4.38Å; F674-Y732 HydrophobicContact CE2-CG 4.07Å; F674-Y732 VanDerWaalsContact CZ-CB 3.41Å; F674-Y732 AromaticContact CZ-CD1 3.72Å; F674-Y732 HydrophobicContact CZ-CD1 3.72Å; F674-Y732 AromaticContact CZ-CD2 3.72Å; F674-Y732 HydrophobicContact CZ-CD2 3.72Å; F674-Y732 HydrophobicContact CZ-CE1 4.4Å; F674-Y732 HydrophobicContact CZ-CE2 4.4Å; F674-Y732 AromaticContact CZ-CG 3.34Å; F674-Y732 HydrophobicContact CZ-CG 3.34Å; F674-L733 HydrophobicContact CB-CD1 4.06Å; F674-L733 HydrophobicContact CB-CD2 4.16Å; F674-L733 HydrophobicContact CB-CG 4Å; F674-L733 HydrophobicContact CD2-CD2 4.24Å; F674-L733 HydrophobicContact CG-CG 4.48Å
675V92.3Very high91.3Very high110 Ų11031.6 Ų31.667%0.66717%0.167SC*.Hα-helixtrans-68.6-42.8177.6-179.60000111E673 V677 I678 H679E673-V675 PolarHBondContact O-N 3.48Å; E673-V675 VanDerWaalsContact O-N 3.1Å; V675-V677 VanDerWaalsContact C-N 3.32Å; V675-I678 PolarHBondContact O-N 3.44Å; V675-H679 WeakPolarHBondContact O-CB 3.27Å; V675-H679 PolarHBondContact O-N 2.97Å
676D93Very high90.1Very high35 Ų3535.3 Ų35.319%0.18719%0.187CC..Hα-helixtrans-68.1-33.6176.9-74.9-64.1000111.4F595 R599 A668 E673 H679 S680F595-D676 HydrophobicContact CE2-CB 4.44Å; F595-D676 HydrophobicContact CZ-CB 4.25Å; R599-D676 IonicContact NH2-OD1 3.73Å; R599-D676 PolarHBondContact NH2-OD1 2.99Å; R599-D676 IonicContact NH2-OD2 2.81Å; A668-D676 HydrophobicContact CB-CB 3.95Å; E673-D676 PolarHBondContact O-N 2.89Å; E673-D676 VanDerWaalsContact O-N 3.12Å; D676-H679 PolarHBondContact O-N 3.48Å; D676-S680 WeakPolarHBondContact O-CB 3.33Å; D676-S680 PolarHBondContact O-N 3.29Å; D676-S680 PolarHBondContact O-OG 3.33Å
677V94.8Very high88.3Confident0 Ų038.2 Ų38.20%021%0.212CC..Hα-helixtrans-59.5-54.2171.8-175.80000110.2S665 A668 L669 E673 F674 V675 H679 S680 T681 A729S665-V677 WeakPolarHBondContact O-CG2 3.32Å; A668-V677 HydrophobicContact CB-CG2 3.67Å; L669-V677 HydrophobicContact CB-CG2 3.95Å; L669-V677 HydrophobicContact CD1-CG2 4.49Å; E673-V677 PolarHBondContact O-N 3.36Å; F674-V677 PolarHBondContact O-N 3.24Å; V675-V677 VanDerWaalsContact C-N 3.32Å; V677-H679 VanDerWaalsContact C-N 3.31Å; V677-H679 PolarHBondContact O-N 3.04Å; V677-S680 PolarHBondContact O-N 2.76Å; V677-T681 HydrophobicContact CG1-CG2 4.12Å; V677-T681 WeakPolarHBondContact O-CB 3.12Å; V677-T681 WeakPolarHBondContact O-CG2 3.38Å; V677-T681 PolarHBondContact O-N 2.87Å; V677-T681 PolarHBondContact O-OG1 3.4Å; V677-A729 HydrophobicContact CB-CB 3.87Å; V677-A729 HydrophobicContact CG1-CB 3.69Å; V677-A729 HydrophobicContact CG2-CB 4.41Å
678I92.9Very high86.2Confident52 Ų5241.2 Ų41.227%0.26723%0.227SC..Hα-helixtrans-61.4-41.8-179.2-69.5171.7000110.9F674 V675 T681 S682 A729 L730 L733F674-I678 WeakPolarHBondContact O-CG1 3.39Å; F674-I678 PolarHBondContact O-N 3.22Å; F674-I678 VanDerWaalsContact O-N 3.08Å; V675-I678 PolarHBondContact O-N 3.44Å; I678-T681 WeakPolarHBondContact CA-OG1 3.28Å; I678-T681 PolarHBondContact O-OG1 2.84Å; I678-S682 VanDerWaalsContact O-CB 3.25Å; I678-S682 WeakPolarHBondContact O-CB 3.46Å; I678-S682 PolarHBondContact O-N 3.34Å; I678-S682 PolarHBondContact O-OG 2.96Å; I678-A729 HydrophobicContact CG1-CB 4.37Å; I678-L730 HydrophobicContact CD1-CD2 3.98Å; I678-L733 HydrophobicContact CD1-CD1 3.44Å; I678-L733 VanDerWaalsContact CD1-CD1 3.44Å
679H90.9Very high83.4Confident87 Ų8747.5 Ų47.540%0.40326%0.26SS..Hα-helixtrans-60.7-52.3178-176.954.2000111.9V675 D676 V677 S682V675-H679 WeakPolarHBondContact O-CB 3.27Å; V675-H679 PolarHBondContact O-N 2.97Å; D676-H679 PolarHBondContact O-N 3.48Å; V677-H679 VanDerWaalsContact C-N 3.31Å; V677-H679 PolarHBondContact O-N 3.04Å; H679-S682 PolarHBondContact O-N 2.96Å; H679-S682 PolarHBondContact O-OG 3.49Å
680S91.3Very high80.5Confident4 Ų453.8 Ų53.83%0.02829%0.289CS..Hα-helixtrans-67.3-41.3-176-600000112.3I664 D676 V677 S682 L683I664-S680 WeakPolarHBondContact CG2-OG 3.3Å; D676-S680 WeakPolarHBondContact O-CB 3.33Å; D676-S680 PolarHBondContact O-N 3.29Å; D676-S680 PolarHBondContact O-OG 3.33Å; V677-S680 PolarHBondContact O-N 2.76Å; S680-S682 VanDerWaalsContact C-N 3.35Å; S680-S682 PolarHBondContact O-N 3.33Å; S680-L683 WeakPolarHBondContact O-CB 3.41Å; S680-L683 PolarHBondContact O-N 3.47Å
681T91.5Very high77.7Confident1 Ų157.9 Ų57.91%0.00631%0.309CS..Hα-helixtrans-67.8-33.6178.356.90000112.3V677 I678 L683 I684 I685 C722 C726V677-T681 HydrophobicContact CG1-CG2 4.12Å; V677-T681 WeakPolarHBondContact O-CB 3.12Å; V677-T681 WeakPolarHBondContact O-CG2 3.38Å; V677-T681 PolarHBondContact O-N 2.87Å; V677-T681 PolarHBondContact O-OG1 3.4Å; I678-T681 WeakPolarHBondContact CA-OG1 3.28Å; I678-T681 PolarHBondContact O-OG1 2.84Å; T681-L683 PolarHBondContact O-N 2.85Å; T681-L683 VanDerWaalsContact O-N 3.14Å; T681-I684 PolarHBondContact O-N 2.75Å; T681-I685 WeakPolarHBondContact O-CG1 3.28Å; T681-I685 PolarHBondContact O-N 2.87Å; T681-C722 HydrophobicContact CG2-CB 3.82Å; T681-C722 WeakPolarHBondContact CG2-O 3.27Å; T681-C726 HydrophobicContact CG2-CB 4.01Å
682S87Confident74.8Confident31 Ų3166 Ų6622%0.21735%0.346CS..Hα-helixtrans-63.5-16.8175.875.40000114.3I678 H679 S680 P708I678-S682 VanDerWaalsContact O-CB 3.25Å; I678-S682 WeakPolarHBondContact O-CB 3.46Å; I678-S682 PolarHBondContact O-N 3.34Å; I678-S682 PolarHBondContact O-OG 2.96Å; H679-S682 PolarHBondContact O-N 2.96Å; H679-S682 PolarHBondContact O-OG 3.49Å; S680-S682 VanDerWaalsContact C-N 3.35Å; S680-S682 PolarHBondContact O-N 3.33Å; S682-P708 WeakPolarHBondContact O-CB 3.39Å
683L86.5Confident72Confident21 Ų2168 Ų6811%0.1136%0.361CS..THydrogen-bonded Turntrans-84.6-17.2175.1-62.3171.5000112.8H661 S680 T681 P708 I709 L710H661-L683 WeakPolarHBondContact CE1-CD1 3.27Å; H661-L683 WeakPolarHBondContact NE2-CD1 3.24Å; S680-L683 WeakPolarHBondContact O-CB 3.41Å; S680-L683 PolarHBondContact O-N 3.47Å; T681-L683 PolarHBondContact O-N 2.85Å; T681-L683 VanDerWaalsContact O-N 3.14Å; L683-P708 CarbonylContact O-C 3.47Å; L683-I709 HydrophobicContact CD2-CD1 4Å; L683-I709 HydrophobicContact CD2-CG1 4.22Å; L683-I709 PolarHBondContact O-N 2.86Å; L683-L710 PolarHBondContact O-N 3.21Å
684I83.5Confident69Low0 Ų070.1 Ų70.10%038%0.376CS..THydrogen-bonded Turntrans-111.3-31-175.2-62.3171.5000112.6S658 H661 V662 T681 A711 A714 H718 C722S658-I684 WeakPolarHBondContact O-CD1 3.48Å; H661-I684 HydrophobicContact CB-CD1 3.43Å; H661-I684 VanDerWaalsContact CB-CD1 3.43Å; H661-I684 HydrophobicContact CB-CG1 4.15Å; V662-I684 HydrophobicContact CG2-CD1 3.87Å; T681-I684 PolarHBondContact O-N 2.75Å; I684-A711 WeakPolarHBondContact O-CA 3.45Å; I684-A711 WeakPolarHBondContact O-CB 3.5Å; I684-A714 HydrophobicContact CG2-CB 4.18Å; I684-H718 HydrophobicContact CG2-CB 4.39Å; I684-C722 HydrophobicContact CB-CB 4.38Å; I684-C722 WeakPolarHBondContact CD1-SG 3.37Å; I684-C722 HydrophobicContact CG2-CB 4.29Å
685I81Confident66Low14 Ų1474.5 Ų74.57%0.07241%0.41CS..SBendtrans-97134.9-175.1-50.8163.4000110.5T681 S687 P708 C722 R723 C726 L742T681-I685 WeakPolarHBondContact O-CG1 3.28Å; T681-I685 PolarHBondContact O-N 2.87Å; I685-S687 PolarHBondContact O-N 3.24Å; I685-P708 WeakPolarHBondContact O-CB 3.45Å; I685-P708 WeakPolarHBondContact O-CG 3.35Å; I685-C722 HydrophobicContact CD1-CB 3.93Å; I685-C722 HydrophobicContact CG1-CB 3.77Å; I685-R723 HydrophobicContact CD1-CB 4.25Å; I685-C726 HydrophobicContact CD1-CB 4Å; I685-L742 HydrophobicContact CG2-CD1 4.38Å
686D69.9Low63Low78 Ų7873.9 Ų73.942%0.41741%0.407SS..PPolyproline II helixtrans-55.3128.3166.6-68.6-38.6000111.5I688 A711 M712D686-I688 PolarHBondContact O-N 3.01Å; D686-A711 WeakPolarHBondContact OD1-CB 3.3Å; D686-M712 WeakPolarHBondContact OD1-CE 3.48Å; D686-M712 WeakPolarHBondContact OD2-CE 3.48Å
687S56.2Low60.2Low95 Ų9578.7 Ų78.766%0.66444%0.44SS*.PPolyproline II helixtrans-54127.3176.159.90000109.4I685 L689I685-S687 PolarHBondContact O-N 3.24Å; S687-L689 PolarHBondContact O-N 2.85Å
688I48.5Very low57.2Low64 Ų6484.3 Ų84.333%0.32847%0.474SS..  trans-50.4113.9174.5-56167.7000107.3D686 Q690 L742D686-I688 PolarHBondContact O-N 3.01Å; I688-Q690 VanDerWaalsContact C-N 3.25Å; I688-Q690 PolarHBondContact O-N 3Å; I688-L742 HydrophobicContact CD1-CB 3.73Å; I688-L742 HydrophobicContact CD1-CD1 3.79Å; I688-L742 HydrophobicContact CD1-CG 4.34Å; I688-L742 HydrophobicContact CG1-CD1 3.81Å
689L36.8Very low54.2Low131 Ų13187.2 Ų87.269%0.68649%0.494SS*.  trans-63.397165.9-169.475.1000105S687 N691S687-L689 PolarHBondContact O-N 2.85Å; L689-N691 VanDerWaalsContact C-N 3.29Å; L689-N691 PolarHBondContact O-N 3.32Å
690Q32.2Very low51.1Low147 Ų14788.3 Ų88.369%0.68751%0.511SS*.  trans-59.4108160.4-75.4-166.1-9.900104.5I688 E692I688-Q690 VanDerWaalsContact C-N 3.25Å; I688-Q690 PolarHBondContact O-N 3Å; Q690-E692 PolarHBondContact O-N 2.91Å
691N30.4Very low48.2Very low119 Ų11993.1 Ų93.164%0.63654%0.54SS*.  trans-49.9111.5166.4-78.2-21.8000106.1L689 T693L689-N691 VanDerWaalsContact C-N 3.29Å; L689-N691 PolarHBondContact O-N 3.32Å; N691-T693 PolarHBondContact O-N 2.94Å
692E30Very low45Very low198 Ų198102.6 Ų102.693%0.92558%0.581SS**THydrogen-bonded Turntrans-66.728.4176.6-72.7-171.2150.100112.3Q690Q690-E692 PolarHBondContact O-N 2.91Å
693T35.1Very low42.4Very low112 Ų112106.9 Ų106.969%0.68759%0.593SS**THydrogen-bonded Turntrans-99.4-1.1-174.8530000115N691N691-T693 PolarHBondContact O-N 2.94Å
694N30.9Very low39.7Very low143 Ų143115.2 Ų115.277%0.76562%0.623SS**SBendtrans-106.897.3171.2-74.6-9.6000111T696N694-T696 PolarHBondContact O-N 3.27Å
695S31.8Very low37.6Very low123 Ų123124.5 Ų124.586%0.8666%0.663SS**  trans-57.473.7171.948.20000112.8
696T29.6Very low35.7Very low97 Ų97128.7 Ų128.760%0.59568%0.679SS**  trans-137.9128.2155.250.40000108.4N694 V698N694-T696 PolarHBondContact O-N 3.27Å; T696-V698 PolarHBondContact O-N 3.36Å
697P32.6Very low34.8Very low135 Ų135128.4 Ų128.488%0.87768%0.677SS**  trans-77.965.9178.234.2-33000108.4V699P697-V699 PolarHBondContact O-N 3.45Å; P697-V699 VanDerWaalsContact O-N 3.17Å
698V32.1Very low35Very low118 Ų118124.5 Ų124.572%0.71565%0.649SS**  trans-76.3104.7165.7-178.30000105.5T696 S700T696-V698 PolarHBondContact O-N 3.36Å; V698-S700 PolarHBondContact O-N 3.5Å
699V30.5Very low35.8Very low114 Ų114122.8 Ų122.869%0.69164%0.64SS**  trans12.5106.2165.5-176.60000112.6P697 V701P697-V699 PolarHBondContact O-N 3.45Å; P697-V699 VanDerWaalsContact O-N 3.17Å; V699-V701 PolarHBondContact O-N 3.5Å
700S26.2Very low37.7Very low110 Ų110116.8 Ų116.877%0.76961%0.609SS**  trans-54.784.8165.241.80000109.1V698 K702V698-S700 PolarHBondContact O-N 3.5Å; S700-K702 VanDerWaalsContact C-N 3.32Å; S700-K702 PolarHBondContact O-N 2.96Å
701V29Very low39.7Very low105 Ų105110.3 Ų110.364%0.63658%0.58SS**  trans-58108167.61780000103.2V699 R703V699-V701 PolarHBondContact O-N 3.5Å; V701-R703 HydrophobicContact CG1-CG 4.01Å; V701-R703 PolarHBondContact O-N 3.03Å
702K24.9Very low41.7Very low199 Ų199109.6 Ų109.687%0.86557%0.574SS**  trans-62.269.6171.3-67.5179.8179.4177.70107.6S700 R704S700-K702 VanDerWaalsContact C-N 3.32Å; S700-K702 PolarHBondContact O-N 2.96Å; K702-R704 PolarHBondContact O-N 3.13Å; K702-R704 VanDerWaalsContact O-N 3.16Å
703R31.9Very low43.8Very low121 Ų121101.1 Ų101.146%0.45754%0.535SS..  trans-62.3120.1165.5-76.2-169.6-173.5165.85.3104.4V701 K705 E738V701-R703 HydrophobicContact CG1-CG 4.01Å; V701-R703 PolarHBondContact O-N 3.03Å; R703-K705 PolarHBondContact O-N 3.3Å; R703-E738 IonicContact CZ-OE1 3.87Å; R703-E738 IonicContact CZ-OE2 2.83Å; R703-E738 IonicContact NH2-OE1 3.3Å; R703-E738 PolarHBondContact NH2-OE1 3.41Å; R703-E738 IonicContact NH2-OE2 2.79Å; R703-E738 PolarHBondContact NH2-OE2 2.86Å
704R31.7Very low45.8Very low196 Ų19696.2 Ų96.274%0.7451%0.506SS*.  trans-49.4112.1164.4-77.7178.8-178.91611105.2K702 Y706K702-R704 PolarHBondContact O-N 3.13Å; K702-R704 VanDerWaalsContact O-N 3.16Å; R704-Y706 HydrophobicContact CB-CD2 3.8Å; R704-Y706 HydrophobicContact CB-CE2 3.43Å; R704-Y706 VanDerWaalsContact CB-CE2 3.43Å; R704-Y706 VanDerWaalsContact CD-OH 3.25Å; R704-Y706 WeakPolarHBondContact CD-OH 3.37Å; R704-Y706 HydrophobicContact CG-CE2 4.28Å; R704-Y706 PolarHBondContact NH1-OH 2.88Å; R704-Y706 WeakPolarHBondContact O-CD2 3.32Å; R704-Y706 PolarHBondContact O-N 3.34Å
705K37.8Very low47.9Very low195 Ų19589.6 Ų89.685%0.84847%0.471SS*.  trans-66.679.5172.3-68.1-177.4178.9-176.20106.3R703 L707R703-K705 PolarHBondContact O-N 3.3Å; K705-L707 VanDerWaalsContact C-N 3.33Å; K705-L707 PolarHBondContact O-N 3.45Å; K705-L707 VanDerWaalsContact O-N 3.1Å
706Y41.7Very low50.1Low103 Ų10388.2 Ų88.240%0.40445%0.449SS..  trans-67.5104.1160.9-66.9-79000104.1R704 P708R704-Y706 HydrophobicContact CB-CD2 3.8Å; R704-Y706 HydrophobicContact CB-CE2 3.43Å; R704-Y706 VanDerWaalsContact CB-CE2 3.43Å; R704-Y706 VanDerWaalsContact CD-OH 3.25Å; R704-Y706 WeakPolarHBondContact CD-OH 3.37Å; R704-Y706 HydrophobicContact CG-CE2 4.28Å; R704-Y706 PolarHBondContact NH1-OH 2.88Å; R704-Y706 WeakPolarHBondContact O-CD2 3.32Å; R704-Y706 PolarHBondContact O-N 3.34Å; Y706-P708 WeakPolarHBondContact O-CD 3.48Å
707L51Low52.3Low71 Ų7184.6 Ų84.637%0.37243%0.426SS..  trans-60.2121.2167.3-168.371.1000105.3Y626 K705 I709Y626-L707 HydrophobicContact CD2-CD2 3.85Å; Y626-L707 HydrophobicContact CE2-CD2 3.53Å; Y626-L707 HydrophobicContact CG-CD2 4.5Å; K705-L707 VanDerWaalsContact C-N 3.33Å; K705-L707 PolarHBondContact O-N 3.45Å; K705-L707 VanDerWaalsContact O-N 3.1Å; L707-I709 WeakPolarHBondContact O-CG1 3.48Å; L707-I709 PolarHBondContact O-N 3.04Å
708P59.8Low54.7Low13 Ų1378.9 Ų78.98%0.08439%0.388CS..  trans-69.5101.6-172.722.6-25.6000108.5S682 L683 I685 Y706 L710 A711S682-P708 WeakPolarHBondContact O-CB 3.39Å; L683-P708 CarbonylContact O-C 3.47Å; I685-P708 WeakPolarHBondContact O-CB 3.45Å; I685-P708 WeakPolarHBondContact O-CG 3.35Å; Y706-P708 WeakPolarHBondContact O-CD 3.48Å; P708-L710 PolarHBondContact O-N 3.41Å; P708-L710 VanDerWaalsContact O-N 3.08Å; P708-A711 HydrophobicContact CB-CB 3.89Å; P708-A711 HydrophobicContact CG-CB 4.07Å; P708-A711 PolarHBondContact O-N 2.88Å
709I66.1Low57.1Low28 Ų2874.4 Ų74.414%0.14436%0.362CS..THydrogen-bonded Turntrans-57.2-36.2-163-64.3179.7000111.2P608 T613 Y626 L630 L683 L707P608-I709 HydrophobicContact CB-CG2 4.26Å; P608-I709 HydrophobicContact CG-CG2 3.8Å; T613-I709 HydrophobicContact CG2-CD1 4.1Å; T613-I709 HydrophobicContact CG2-CG1 4.1Å; Y626-I709 WeakPolarHBondContact OH-CA 3.35Å; Y626-I709 PolarHBondContact OH-O 3.14Å; L630-I709 HydrophobicContact CD1-CG2 4.35Å; L630-I709 HydrophobicContact CD2-CG2 4.2Å; L630-I709 WeakPolarHBondContact CD2-O 3.2Å; L683-I709 HydrophobicContact CD2-CD1 4Å; L683-I709 HydrophobicContact CD2-CG1 4.22Å; L683-I709 PolarHBondContact O-N 2.86Å; L707-I709 WeakPolarHBondContact O-CG1 3.48Å; L707-I709 PolarHBondContact O-N 3.04Å
710L77Confident59.6Low5 Ų569.8 Ų69.83%0.02633%0.332CS..THydrogen-bonded Turntrans-110-5.9-169-60.1169.7000113.8L654 L657 L683 P708 M712 I713 A714L654-L710 HydrophobicContact CB-CD2 4.37Å; L654-L710 HydrophobicContact CD2-CD2 3.96Å; L657-L710 HydrophobicContact CB-CD1 3.71Å; L657-L710 HydrophobicContact CB-CD2 4.35Å; L683-L710 PolarHBondContact O-N 3.21Å; P708-L710 PolarHBondContact O-N 3.41Å; P708-L710 VanDerWaalsContact O-N 3.08Å; L710-M712 VanDerWaalsContact C-N 3.27Å; L710-M712 PolarHBondContact O-N 3.26Å; L710-M712 VanDerWaalsContact O-N 3.13Å; L710-I713 PolarHBondContact O-N 3.41Å; L710-A714 VanDerWaalsContact O-CB 3.28Å; L710-A714 WeakPolarHBondContact O-CB 3.5Å; L710-A714 PolarHBondContact O-N 3.06Å
711A73.4Confident62.5Low11 Ų1165.5 Ų65.59%0.09130%0.3CS..THydrogen-bonded Turntrans-56.1-38.1-169.200000114.8I684 D686 P708 I713I684-A711 WeakPolarHBondContact O-CA 3.45Å; I684-A711 WeakPolarHBondContact O-CB 3.5Å; D686-A711 WeakPolarHBondContact OD1-CB 3.3Å; P708-A711 HydrophobicContact CB-CB 3.89Å; P708-A711 HydrophobicContact CG-CB 4.07Å; P708-A711 PolarHBondContact O-N 2.88Å; A711-I713 VanDerWaalsContact C-N 3.34Å
712M72.1Confident65.4Low104 Ų10460.5 Ų60.551%0.51227%0.27SS..THydrogen-bonded Turntrans-77.5-17.6-179.3-65.1-66.1115.500114.1V627 D686 L710V627-M712 HydrophobicContact CG2-CB 3.81Å; V627-M712 HydrophobicContact CG2-CG 4.37Å; D686-M712 WeakPolarHBondContact OD1-CE 3.48Å; D686-M712 WeakPolarHBondContact OD2-CE 3.48Å; L710-M712 VanDerWaalsContact C-N 3.27Å; L710-M712 PolarHBondContact O-N 3.26Å; L710-M712 VanDerWaalsContact O-N 3.13Å
713I75.6Confident68.4Low21 Ų2154.1 Ų54.111%0.10824%0.24CC..THydrogen-bonded Turntrans-112.6-29.3-172.6-60178.9000111.1V627 L630 V631 I651 L654 L710 A711V627-I713 HydrophobicContact CG1-CD1 4.05Å; V627-I713 HydrophobicContact CG1-CG1 4.16Å; V627-I713 HydrophobicContact CG2-CG1 4.48Å; L630-I713 HydrophobicContact CB-CD1 4.47Å; L630-I713 HydrophobicContact CD2-CD1 3.63Å; L630-I713 HydrophobicContact CG-CD1 4.16Å; V631-I713 HydrophobicContact CG2-CD1 4.3Å; I651-I713 HydrophobicContact CD1-CG2 3.32Å; L654-I713 HydrophobicContact CB-CG2 3.94Å; L654-I713 HydrophobicContact CD1-CD1 3.66Å; L654-I713 HydrophobicContact CD1-CG2 4.05Å; L710-I713 PolarHBondContact O-N 3.41Å; A711-I713 VanDerWaalsContact C-N 3.34Å
714A75.7Confident71.2Confident8 Ų849.1 Ų49.17%0.06622%0.223CC..SBendtrans-59140.8179.900000110.5I684 L710 K716 H718I684-A714 HydrophobicContact CG2-CB 4.18Å; L710-A714 VanDerWaalsContact O-CB 3.28Å; L710-A714 WeakPolarHBondContact O-CB 3.5Å; L710-A714 PolarHBondContact O-N 3.06Å; A714-K716 PolarHBondContact O-N 2.93Å; A714-H718 HydrophobicContact CB-CB 4.47Å
715P76.5Confident74.2Confident4 Ų441 Ų413%0.02619%0.192CC..  trans-48.3133.2166.1-27.934.6000110.3I717 H718 S719P715-I717 HydrophobicContact CB-CG2 4.02Å; P715-I717 PolarHBondContact O-N 3.22Å; P715-H718 VanDerWaalsContact O-CB 3.29Å; P715-H718 WeakPolarHBondContact O-CB 3.29Å; P715-H718 PolarHBondContact O-N 3.47Å; P715-S719 PolarHBondContact O-N 3.42Å
716K75.9Confident76.8Confident95 Ų9532.4 Ų32.441%0.41316%0.157SC..Hα-helixtrans-59.9-26.2-173.1-58.4-177.1-179.2168.50112.8A714 S719 Y720 H756 S757 V761A714-K716 PolarHBondContact O-N 2.93Å; K716-S719 PolarHBondContact O-N 2.63Å; K716-Y720 WeakPolarHBondContact O-CB 3.48Å; K716-Y720 PolarHBondContact O-N 2.73Å; K716-H756 PolarHBondContact NZ-O 3.45Å; K716-S757 WeakPolarHBondContact CB-O 3.47Å; K716-S757 VanDerWaalsContact CD-C 3.49Å; K716-S757 WeakPolarHBondContact CD-O 3.43Å; K716-V761 HydrophobicContact CB-CG2 4.23Å
717I76.8Confident79.3Confident20 Ų2027.7 Ų27.710%0.10314%0.139CC..Hα-helixtrans-63.7-36172.1-170.360.9000112.9P715 Y720 L721 V761 F763 L768P715-I717 HydrophobicContact CB-CG2 4.02Å; P715-I717 PolarHBondContact O-N 3.22Å; I717-Y720 HydrophobicContact CD1-CD1 4.03Å; I717-Y720 WeakPolarHBondContact O-CB 3.2Å; I717-Y720 PolarHBondContact O-N 3.09Å; I717-L721 HydrophobicContact CG1-CD1 4.43Å; I717-L721 WeakPolarHBondContact O-CG 3.42Å; I717-L721 PolarHBondContact O-N 3.23Å; I717-V761 HydrophobicContact CB-CG1 4.31Å; I717-F763 HydrophobicContact CD1-CE1 4.31Å; I717-L768 HydrophobicContact CG2-CD2 4.29Å
718H82.9Confident81.3Confident16 Ų1628.1 Ų28.17%0.07414%0.139CC..Hα-helixtrans-65-44.1175.4-66.4175.5000110.8S658 V662 I684 A714 P715 Y720 L721 C722S658-H718 PolarHBondContact OG-CE1 3.37Å; S658-H718 PolarHBondContact OG-ND1 3.2Å; V662-H718 HydrophobicContact CG2-CB 3.48Å; V662-H718 VanDerWaalsContact CG2-CB 3.48Å; I684-H718 HydrophobicContact CG2-CB 4.39Å; A714-H718 HydrophobicContact CB-CB 4.47Å; P715-H718 VanDerWaalsContact O-CB 3.29Å; P715-H718 WeakPolarHBondContact O-CB 3.29Å; P715-H718 PolarHBondContact O-N 3.47Å; H718-Y720 VanDerWaalsContact C-N 3.33Å; H718-Y720 PolarHBondContact O-N 2.9Å; H718-L721 PolarHBondContact O-N 3.43Å; H718-C722 VanDerWaalsContact O-CB 3.31Å; H718-C722 WeakPolarHBondContact O-CB 3.49Å; H718-C722 PolarHBondContact O-N 3.28Å; H718-C722 PolarHBondContact O-SG 2.87Å
719S82.7Confident83Confident24 Ų2427.5 Ų27.517%0.16814%0.135CC..Hα-helixtrans-64-39.1176-52.70000112P715 K716 R723P715-S719 PolarHBondContact O-N 3.42Å; K716-S719 PolarHBondContact O-N 2.63Å; S719-R723 VanDerWaalsContact O-CB 3.3Å; S719-R723 WeakPolarHBondContact O-CB 3.47Å; S719-R723 PolarHBondContact O-N 3.46Å
720Y82.7Confident84.3Confident17 Ų1726.8 Ų26.87%0.06713%0.131CC..Hα-helixtrans-60.9-51.8173.3172.3-90.7000112.2K716 I717 H718 R723 L724 P816 S822 L826K716-Y720 WeakPolarHBondContact O-CB 3.48Å; K716-Y720 PolarHBondContact O-N 2.73Å; I717-Y720 HydrophobicContact CD1-CD1 4.03Å; I717-Y720 WeakPolarHBondContact O-CB 3.2Å; I717-Y720 PolarHBondContact O-N 3.09Å; H718-Y720 VanDerWaalsContact C-N 3.33Å; H718-Y720 PolarHBondContact O-N 2.9Å; Y720-R723 WeakPolarHBondContact O-CB 3.3Å; Y720-R723 PolarHBondContact O-N 2.92Å; Y720-L724 HydrophobicContact CD1-CD1 4.23Å; Y720-L724 HydrophobicContact CE1-CD1 3.52Å; Y720-L724 HydrophobicContact CE1-CG 4.41Å; Y720-L724 PolarHBondContact O-N 3.44Å; Y720-L724 VanDerWaalsContact O-N 3.17Å; Y720-P816 HydrophobicContact CE1-CG 4.43Å; Y720-S822 WeakPolarHBondContact OH-CA 3.22Å; Y720-S822 PolarHBondContact OH-O 3.44Å; Y720-L826 HydrophobicContact CD2-CD1 4.02Å; Y720-L826 HydrophobicContact CD2-CG 4.4Å; Y720-L826 HydrophobicContact CE2-CD1 3.5Å; Y720-L826 VanDerWaalsContact CE2-CD1 3.5Å; Y720-L826 HydrophobicContact CE2-CD2 4.19Å; Y720-L826 HydrophobicContact CE2-CG 3.59Å
721L87Confident85.1Confident20 Ų2028.2 Ų28.211%0.10514%0.14CC..Hα-helixtrans-63.3-46.7180-71.2176.4000111.7V662 I717 H718 R723 L724 Y725 L1065V662-L721 HydrophobicContact CG1-CB 4.38Å; V662-L721 HydrophobicContact CG1-CD1 4.18Å; I717-L721 HydrophobicContact CG1-CD1 4.43Å; I717-L721 WeakPolarHBondContact O-CG 3.42Å; I717-L721 PolarHBondContact O-N 3.23Å; H718-L721 PolarHBondContact O-N 3.43Å; L721-R723 PolarHBondContact O-N 3.49Å; L721-L724 WeakPolarHBondContact O-CB 3.4Å; L721-L724 PolarHBondContact O-N 2.64Å; L721-L724 VanDerWaalsContact O-N 3.1Å; L721-Y725 HydrophobicContact CB-CD2 4.45Å; L721-Y725 HydrophobicContact CB-CE2 3.87Å; L721-Y725 VanDerWaalsContact O-CD2 3.29Å; L721-Y725 WeakPolarHBondContact O-CD2 3.5Å; L721-Y725 VanDerWaalsContact O-CG 3.24Å; L721-Y725 PolarHBondContact O-N 2.58Å; L721-L1065 HydrophobicContact CD1-CB 4.27Å
722C89.6Confident86Confident0 Ų034.2 Ų34.20%016%0.161CC..Hα-helixtrans-57.7-38.2176.2-74.90000111.8T681 I684 I685 H718 Y725 C726T681-C722 HydrophobicContact CG2-CB 3.82Å; T681-C722 WeakPolarHBondContact CG2-O 3.27Å; I684-C722 HydrophobicContact CB-CB 4.38Å; I684-C722 WeakPolarHBondContact CD1-SG 3.37Å; I684-C722 HydrophobicContact CG2-CB 4.29Å; I685-C722 HydrophobicContact CD1-CB 3.93Å; I685-C722 HydrophobicContact CG1-CB 3.77Å; H718-C722 VanDerWaalsContact O-CB 3.31Å; H718-C722 WeakPolarHBondContact O-CB 3.49Å; H718-C722 PolarHBondContact O-N 3.28Å; H718-C722 PolarHBondContact O-SG 2.87Å; C722-Y725 PolarHBondContact O-N 3.48Å; C722-C726 WeakPolarHBondContact O-CB 3.36Å; C722-C726 PolarHBondContact O-N 3.2Å
723R88.6Confident87Confident64 Ų6432.5 Ų32.524%0.24215%0.154CC..Hα-helixtrans-62.1-44176.9-174.5175.2-69.6-177.5-1.1111.7I685 S719 Y720 L721 A727 L742I685-R723 HydrophobicContact CD1-CB 4.25Å; S719-R723 VanDerWaalsContact O-CB 3.3Å; S719-R723 WeakPolarHBondContact O-CB 3.47Å; S719-R723 PolarHBondContact O-N 3.46Å; Y720-R723 WeakPolarHBondContact O-CB 3.3Å; Y720-R723 PolarHBondContact O-N 2.92Å; L721-R723 PolarHBondContact O-N 3.49Å; R723-A727 WeakPolarHBondContact O-CB 3.39Å; R723-A727 PolarHBondContact O-N 3.07Å; R723-L742 HydrophobicContact CG-CD1 3.9Å; R723-L742 HydrophobicContact CG-CD2 4.21Å; R723-L742 HydrophobicContact CG-CG 3.74Å
724L91.1Very high87.9Confident16 Ų1638.1 Ų38.18%0.08419%0.185CC..Hα-helixtrans-63-49.6175-67.6179.2000111.6Y720 L721 C726 A727 E728 L743 L825 L826 N829Y720-L724 HydrophobicContact CD1-CD1 4.23Å; Y720-L724 HydrophobicContact CE1-CD1 3.52Å; Y720-L724 HydrophobicContact CE1-CG 4.41Å; Y720-L724 PolarHBondContact O-N 3.44Å; Y720-L724 VanDerWaalsContact O-N 3.17Å; L721-L724 WeakPolarHBondContact O-CB 3.4Å; L721-L724 PolarHBondContact O-N 2.64Å; L721-L724 VanDerWaalsContact O-N 3.1Å; L724-C726 VanDerWaalsContact C-N 3.33Å; L724-C726 PolarHBondContact O-N 3.42Å; L724-A727 PolarHBondContact O-N 3.18Å; L724-E728 PolarHBondContact O-N 3.32Å; L724-L743 HydrophobicContact CD2-CD2 4.17Å; L724-L825 HydrophobicContact CD1-CD2 3.9Å; L724-L825 HydrophobicContact CD1-CG 4.27Å; L724-L826 HydrophobicContact CD2-CD2 3.55Å; L724-L826 HydrophobicContact CD2-CG 4.36Å; L724-L826 HydrophobicContact CG-CD2 4.38Å; L724-N829 HydrophobicContact CD2-CB 4.45Å
725Y93.5Very high88.7Confident26 Ų2642.3 Ų42.310%0.10220%0.201CC..Hα-helixtrans-63.3-38.4-179.3-56.8-30.1000112.6V662 S665 Y666 L669 L721 C722 E728 A729V662-Y725 HydrophobicContact CG1-CE2 4.18Å; S665-Y725 VanDerWaalsContact OG-CD2 3.31Å; S665-Y725 WeakPolarHBondContact OG-CD2 3.28Å; Y666-Y725 AromaticContact CD2-CE1 3.98Å; Y666-Y725 HydrophobicContact CD2-CE1 3.98Å; Y666-Y725 HydrophobicContact CD2-CE2 4.37Å; Y666-Y725 AromaticContact CD2-CZ 3.73Å; L669-Y725 HydrophobicContact CD2-CD1 3.92Å; L669-Y725 HydrophobicContact CD2-CG 4.34Å; L721-Y725 HydrophobicContact CB-CD2 4.45Å; L721-Y725 HydrophobicContact CB-CE2 3.87Å; L721-Y725 VanDerWaalsContact O-CD2 3.29Å; L721-Y725 WeakPolarHBondContact O-CD2 3.5Å; L721-Y725 VanDerWaalsContact O-CG 3.24Å; L721-Y725 PolarHBondContact O-N 2.58Å; C722-Y725 PolarHBondContact O-N 3.48Å; Y725-E728 PolarHBondContact O-N 3.43Å; Y725-A729 WeakPolarHBondContact O-CB 3.34Å; Y725-A729 PolarHBondContact O-N 3.4Å
726C94Very high89.5Confident15 Ų1542.7 Ų42.710%0.10120%0.203CC..Hα-helixtrans-67.3-42.8175.9-173.10000111.6T681 I685 C722 L724 E728 A729 L730 L742T681-C726 HydrophobicContact CG2-CB 4.01Å; I685-C726 HydrophobicContact CD1-CB 4Å; C722-C726 WeakPolarHBondContact O-CB 3.36Å; C722-C726 PolarHBondContact O-N 3.2Å; L724-C726 VanDerWaalsContact C-N 3.33Å; L724-C726 PolarHBondContact O-N 3.42Å; C726-E728 VanDerWaalsContact C-N 3.3Å; C726-E728 PolarHBondContact O-N 2.95Å; C726-A729 PolarHBondContact O-N 3.27Å; C726-L730 WeakPolarHBondContact O-CB 3.49Å; C726-L730 VanDerWaalsContact O-CG 3.26Å; C726-L730 WeakPolarHBondContact O-CG 3.37Å; C726-L730 PolarHBondContact O-N 3.27Å; C726-L742 HydrophobicContact CB-CD2 3.83Å
727A93.2Very high90.3Very high4 Ų444 Ų443%0.03322%0.215CC..Hα-helixtrans-59.9-42.2175.400000111.3R723 L724 L730 T731 A739 L742 L743R723-A727 WeakPolarHBondContact O-CB 3.39Å; R723-A727 PolarHBondContact O-N 3.07Å; L724-A727 PolarHBondContact O-N 3.18Å; A727-L730 PolarHBondContact O-N 3.08Å; A727-T731 WeakPolarHBondContact O-CG2 3.35Å; A727-T731 PolarHBondContact O-N 3.43Å; A727-A739 HydrophobicContact CB-CB 4.36Å; A727-A739 WeakPolarHBondContact O-CB 3.48Å; A727-L742 HydrophobicContact CB-CD2 4.15Å; A727-L743 HydrophobicContact CB-CD1 3.9Å; A727-L743 HydrophobicContact CB-CD2 3.84Å; A727-L743 HydrophobicContact CB-CG 3.77Å
728E93.2Very high90.9Very high80 Ų8045.6 Ų45.637%0.37422%0.222SC..Hα-helixtrans-65.9-43.9176-169.3173.6167.200112.4L669 L724 Y725 C726 L730 T731 Y732L669-E728 HydrophobicContact CD1-CB 4.27Å; L669-E728 HydrophobicContact CD1-CG 4.07Å; L669-E728 HydrophobicContact CD2-CB 4.36Å; L669-E728 HydrophobicContact CD2-CG 4.38Å; L724-E728 PolarHBondContact O-N 3.32Å; Y725-E728 PolarHBondContact O-N 3.43Å; C726-E728 VanDerWaalsContact C-N 3.3Å; C726-E728 PolarHBondContact O-N 2.95Å; E728-L730 VanDerWaalsContact C-N 3.29Å; E728-L730 PolarHBondContact O-N 3.21Å; E728-T731 PolarHBondContact O-N 3.38Å; E728-T731 PolarHBondContact O-OG1 3.33Å; E728-Y732 HydrophobicContact CG-CD2 4.08Å; E728-Y732 HydrophobicContact CG-CE2 3.82Å; E728-Y732 VanDerWaalsContact O-CD2 3.24Å; E728-Y732 WeakPolarHBondContact O-CD2 3.31Å; E728-Y732 PolarHBondContact O-N 2.86Å; E728-Y732 VanDerWaalsContact O-N 3.13Å
729A94.9Very high91.3Very high0 Ų044.8 Ų44.80%022%0.218CC..Hα-helixtrans-61.2-38.2174.700000112.5L669 F674 V677 I678 Y725 C726 Y732 L733L669-A729 HydrophobicContact CD1-CB 4.47Å; F674-A729 HydrophobicContact CB-CB 4.14Å; F674-A729 HydrophobicContact CD1-CB 4.02Å; V677-A729 HydrophobicContact CB-CB 3.87Å; V677-A729 HydrophobicContact CG1-CB 3.69Å; V677-A729 HydrophobicContact CG2-CB 4.41Å; I678-A729 HydrophobicContact CG1-CB 4.37Å; Y725-A729 WeakPolarHBondContact O-CB 3.34Å; Y725-A729 PolarHBondContact O-N 3.4Å; C726-A729 PolarHBondContact O-N 3.27Å; A729-Y732 PolarHBondContact O-N 2.99Å; A729-L733 WeakPolarHBondContact O-CG 3.37Å; A729-L733 PolarHBondContact O-N 3.49Å; A729-L733 VanDerWaalsContact O-N 3.11Å
730L94.7Very high91.7Very high12 Ų1243.9 Ų43.96%0.06321%0.211CC..Hα-helixtrans-66.8-37.2176.7-73.2169.5000112.3I678 C726 A727 E728 L733 D734 K735 E738 A739 L742I678-L730 HydrophobicContact CD1-CD2 3.98Å; C726-L730 WeakPolarHBondContact O-CB 3.49Å; C726-L730 VanDerWaalsContact O-CG 3.26Å; C726-L730 WeakPolarHBondContact O-CG 3.37Å; C726-L730 PolarHBondContact O-N 3.27Å; A727-L730 PolarHBondContact O-N 3.08Å; E728-L730 VanDerWaalsContact C-N 3.29Å; E728-L730 PolarHBondContact O-N 3.21Å; L730-L733 CarbonylContact O-C 3.48Å; L730-L733 PolarHBondContact O-N 3.49Å; L730-D734 PolarHBondContact O-N 3.14Å; L730-K735 HydrophobicContact CB-CB 4.33Å; L730-K735 HydrophobicContact CD2-CB 3.98Å; L730-K735 HydrophobicContact CD2-CD 3.92Å; L730-K735 WeakPolarHBondContact O-CA 3.45Å; L730-K735 PolarHBondContact O-N 3.26Å; L730-E738 HydrophobicContact CD1-CB 4.02Å; L730-E738 HydrophobicContact CD2-CB 4.37Å; L730-A739 HydrophobicContact CB-CB 3.87Å; L730-L742 HydrophobicContact CD1-CD2 4.34Å
731T94Very high91.9Very high35 Ų3545 Ų4522%0.21522%0.224CC..Hα-helixtrans-66.6-38.8175.155.30000111.8A727 E728 L733 D734 A739 T833 I836A727-T731 WeakPolarHBondContact O-CG2 3.35Å; A727-T731 PolarHBondContact O-N 3.43Å; E728-T731 PolarHBondContact O-N 3.38Å; E728-T731 PolarHBondContact O-OG1 3.33Å; T731-L733 VanDerWaalsContact C-N 3.26Å; T731-L733 PolarHBondContact O-N 2.96Å; T731-D734 PolarHBondContact O-N 2.87Å; T731-D734 VanDerWaalsContact O-N 3.1Å; T731-A739 HydrophobicContact CG2-CB 3.78Å; T731-T833 HydrophobicContact CG2-CG2 3.85Å; T731-I836 HydrophobicContact CG2-CD1 4.47Å
732Y91.9Very high91.9Very high137 Ų13744.6 Ų44.654%0.53722%0.222SC..Hα-helixtrans-64.8-28.9173.2-82.4-72.1000113.6F674 E728 A729 D734F674-Y732 HydrophobicContact CD1-CD2 4.26Å; F674-Y732 HydrophobicContact CD1-CG 4.34Å; F674-Y732 HydrophobicContact CE1-CD1 4.29Å; F674-Y732 AromaticContact CE1-CD2 3.41Å; F674-Y732 HydrophobicContact CE1-CD2 3.41Å; F674-Y732 VanDerWaalsContact CE1-CD2 3.41Å; F674-Y732 HydrophobicContact CE1-CE2 4.15Å; F674-Y732 AromaticContact CE1-CG 3.5Å; F674-Y732 HydrophobicContact CE1-CG 3.5Å; F674-Y732 HydrophobicContact CE2-CD1 4.38Å; F674-Y732 HydrophobicContact CE2-CG 4.07Å; F674-Y732 VanDerWaalsContact CZ-CB 3.41Å; F674-Y732 AromaticContact CZ-CD1 3.72Å; F674-Y732 HydrophobicContact CZ-CD1 3.72Å; F674-Y732 AromaticContact CZ-CD2 3.72Å; F674-Y732 HydrophobicContact CZ-CD2 3.72Å; F674-Y732 HydrophobicContact CZ-CE1 4.4Å; F674-Y732 HydrophobicContact CZ-CE2 4.4Å; F674-Y732 AromaticContact CZ-CG 3.34Å; F674-Y732 HydrophobicContact CZ-CG 3.34Å; E728-Y732 HydrophobicContact CG-CD2 4.08Å; E728-Y732 HydrophobicContact CG-CE2 3.82Å; E728-Y732 VanDerWaalsContact O-CD2 3.24Å; E728-Y732 WeakPolarHBondContact O-CD2 3.31Å; E728-Y732 PolarHBondContact O-N 2.86Å; E728-Y732 VanDerWaalsContact O-N 3.13Å; A729-Y732 PolarHBondContact O-N 2.99Å; Y732-D734 PolarHBondContact O-N 3.45Å
733L93.5Very high91.8Very high69 Ų6945 Ų4536%0.36123%0.225SC..THydrogen-bonded Turntrans-8611.5174.3-66.2176.7000113.5F674 I678 A729 L730 T731 K735F674-L733 HydrophobicContact CB-CD1 4.06Å; F674-L733 HydrophobicContact CB-CD2 4.16Å; F674-L733 HydrophobicContact CB-CG 4Å; F674-L733 HydrophobicContact CD2-CD2 4.24Å; F674-L733 HydrophobicContact CG-CG 4.48Å; I678-L733 HydrophobicContact CD1-CD1 3.44Å; I678-L733 VanDerWaalsContact CD1-CD1 3.44Å; A729-L733 WeakPolarHBondContact O-CG 3.37Å; A729-L733 PolarHBondContact O-N 3.49Å; A729-L733 VanDerWaalsContact O-N 3.11Å; L730-L733 CarbonylContact O-C 3.48Å; L730-L733 PolarHBondContact O-N 3.49Å; T731-L733 VanDerWaalsContact C-N 3.26Å; T731-L733 PolarHBondContact O-N 2.96Å; L733-K735 HydrophobicContact CB-CG 4.47Å; L733-K735 PolarHBondContact O-N 3.08Å; L733-K735 VanDerWaalsContact O-N 3.15Å
734D93.4Very high91.3Very high139 Ų13946.6 Ų46.674%0.74324%0.235SC*.THydrogen-bonded Turntrans58.622-177.9-158.633.9000113.9L730 T731 Y732 V736L730-D734 PolarHBondContact O-N 3.14Å; T731-D734 PolarHBondContact O-N 2.87Å; T731-D734 VanDerWaalsContact O-N 3.1Å; Y732-D734 PolarHBondContact O-N 3.45Å; D734-V736 VanDerWaalsContact C-N 3.28Å; D734-V736 PolarHBondContact O-N 3.33Å
735K93.1Very high89.7Confident96 Ų9647 Ų4742%0.41724%0.237SC..  trans-96.351.8175.2-65.6-176.5178.5-174.60110.6L730 L733 D737 E738 A739L730-K735 HydrophobicContact CB-CB 4.33Å; L730-K735 HydrophobicContact CD2-CB 3.98Å; L730-K735 HydrophobicContact CD2-CD 3.92Å; L730-K735 WeakPolarHBondContact O-CA 3.45Å; L730-K735 PolarHBondContact O-N 3.26Å; L733-K735 HydrophobicContact CB-CG 4.47Å; L733-K735 PolarHBondContact O-N 3.08Å; L733-K735 VanDerWaalsContact O-N 3.15Å; K735-D737 VanDerWaalsContact C-N 3.28Å; K735-D737 PolarHBondContact O-N 3.16Å; K735-E738 HydrophobicContact CB-CB 4.34Å; K735-E738 HydrophobicContact CB-CG 4.27Å; K735-E738 PolarHBondContact O-N 3.3Å; K735-E738 VanDerWaalsContact O-N 3.13Å; K735-A739 PolarHBondContact O-N 3.13Å; K735-A739 VanDerWaalsContact O-N 3.13Å
736V93.7Very high87.4Confident11 Ų1149.1 Ų49.17%0.06726%0.255CS..Hα-helixtrans-63-36.1-171.5-170.20000111.6D734 E738 A739 T740 I836 Q837D734-V736 VanDerWaalsContact C-N 3.28Å; D734-V736 PolarHBondContact O-N 3.33Å; V736-E738 VanDerWaalsContact C-N 3.3Å; V736-E738 PolarHBondContact O-N 3.47Å; V736-A739 WeakPolarHBondContact O-CB 3.46Å; V736-A739 PolarHBondContact O-N 3.07Å; V736-A739 VanDerWaalsContact O-N 3.13Å; V736-T740 PolarHBondContact O-N 3.41Å; V736-T740 PolarHBondContact O-OG1 3.03Å; V736-I836 HydrophobicContact CG1-CB 4.26Å; V736-I836 HydrophobicContact CG1-CG2 4.18Å; V736-I836 HydrophobicContact CG2-CG2 3.82Å; V736-Q837 HydrophobicContact CB-CG 4.39Å; V736-Q837 HydrophobicContact CG1-CG 3.76Å
737D91Very high85Confident122 Ų12252.9 Ų52.965%0.65228%0.278SS*.Hα-helixtrans-61.3-38.8177.2-59.7-30.4000112.5K735 A741 Q837K735-D737 VanDerWaalsContact C-N 3.28Å; K735-D737 PolarHBondContact O-N 3.16Å; D737-A741 WeakPolarHBondContact O-CB 3.4Å; D737-A741 PolarHBondContact O-N 3.23Å; D737-Q837 PolarHBondContact OD1-NE2 3.2Å
738E90.5Very high82.2Confident54 Ų5459.4 Ų59.425%0.25231%0.312SS..Hα-helixtrans-69-39.6175.9-57.6-172.6179.400111.1R703 L730 K735 V736 A741 L742R703-E738 IonicContact CZ-OE1 3.87Å; R703-E738 IonicContact CZ-OE2 2.83Å; R703-E738 IonicContact NH2-OE1 3.3Å; R703-E738 PolarHBondContact NH2-OE1 3.41Å; R703-E738 IonicContact NH2-OE2 2.79Å; R703-E738 PolarHBondContact NH2-OE2 2.86Å; L730-E738 HydrophobicContact CD1-CB 4.02Å; L730-E738 HydrophobicContact CD2-CB 4.37Å; K735-E738 HydrophobicContact CB-CB 4.34Å; K735-E738 HydrophobicContact CB-CG 4.27Å; K735-E738 PolarHBondContact O-N 3.3Å; K735-E738 VanDerWaalsContact O-N 3.13Å; V736-E738 VanDerWaalsContact C-N 3.3Å; V736-E738 PolarHBondContact O-N 3.47Å; E738-A741 PolarHBondContact O-N 3.37Å; E738-L742 WeakPolarHBondContact O-CB 3.32Å; E738-L742 PolarHBondContact O-N 2.99Å
739A91.4Very high79.7Confident0 Ų062 Ų620%033%0.328CS..Hα-helixtrans-64.3-44.9175.700000111.6A727 L730 T731 K735 V736 L742 L743 T833A727-A739 HydrophobicContact CB-CB 4.36Å; A727-A739 WeakPolarHBondContact O-CB 3.48Å; L730-A739 HydrophobicContact CB-CB 3.87Å; T731-A739 HydrophobicContact CG2-CB 3.78Å; K735-A739 PolarHBondContact O-N 3.13Å; K735-A739 VanDerWaalsContact O-N 3.13Å; V736-A739 WeakPolarHBondContact O-CB 3.46Å; V736-A739 PolarHBondContact O-N 3.07Å; V736-A739 VanDerWaalsContact O-N 3.13Å; A739-L742 WeakPolarHBondContact O-CB 3.46Å; A739-L742 PolarHBondContact O-N 2.86Å; A739-L743 WeakPolarHBondContact O-CG 3.45Å; A739-L743 PolarHBondContact O-N 3.49Å; A739-T833 HydrophobicContact CB-CG2 4.18Å
740T90.7Very high77.1Confident4 Ų466.1 Ų66.13%0.02535%0.348CS..Hα-helixtrans-62.3-45.6176.1-55.50000110.2V736 L742 L743 Q744 L830 T833 L834 Q837V736-T740 PolarHBondContact O-N 3.41Å; V736-T740 PolarHBondContact O-OG1 3.03Å; T740-L742 VanDerWaalsContact C-N 3.28Å; T740-L742 PolarHBondContact O-N 3.11Å; T740-L743 PolarHBondContact O-N 2.99Å; T740-Q744 HydrophobicContact CG2-CG 4.04Å; T740-Q744 VanDerWaalsContact CG2-NE2 3.26Å; T740-Q744 VanDerWaalsContact O-CB 3.24Å; T740-Q744 WeakPolarHBondContact O-CB 3.4Å; T740-Q744 WeakPolarHBondContact O-CG 3.5Å; T740-Q744 PolarHBondContact O-N 3.45Å; T740-L830 HydrophobicContact CG2-CD1 3.81Å; T740-T833 VanDerWaalsContact OG1-CB 3.28Å; T740-T833 WeakPolarHBondContact OG1-CB 3.49Å; T740-T833 PolarHBondContact OG1-OG1 3.36Å; T740-T833 VanDerWaalsContact OG1-OG1 3.08Å; T740-L834 HydrophobicContact CG2-CD2 4.06Å; T740-Q837 PolarHBondContact OG1-NE2 3.18Å; T740-Q837 PolarHBondContact OG1-OE1 3.05Å
741A87.5Confident74.6Confident41 Ų4170.3 Ų70.334%0.33937%0.37SS..Hα-helixtrans-61.5-35.6175.900000112.7D737 E738D737-A741 WeakPolarHBondContact O-CB 3.4Å; D737-A741 PolarHBondContact O-N 3.23Å; E738-A741 PolarHBondContact O-N 3.37Å
742L86.4Confident72.3Confident12 Ų1273.7 Ų73.76%0.06339%0.387CS..Hα-helixtrans-68-35.6176.8-176.161.6000112.4I685 I688 R723 C726 A727 L730 E738 A739 T740I685-L742 HydrophobicContact CG2-CD1 4.38Å; I688-L742 HydrophobicContact CD1-CB 3.73Å; I688-L742 HydrophobicContact CD1-CD1 3.79Å; I688-L742 HydrophobicContact CD1-CG 4.34Å; I688-L742 HydrophobicContact CG1-CD1 3.81Å; R723-L742 HydrophobicContact CG-CD1 3.9Å; R723-L742 HydrophobicContact CG-CD2 4.21Å; R723-L742 HydrophobicContact CG-CG 3.74Å; C726-L742 HydrophobicContact CB-CD2 3.83Å; A727-L742 HydrophobicContact CB-CD2 4.15Å; L730-L742 HydrophobicContact CD1-CD2 4.34Å; E738-L742 WeakPolarHBondContact O-CB 3.32Å; E738-L742 PolarHBondContact O-N 2.99Å; A739-L742 WeakPolarHBondContact O-CB 3.46Å; A739-L742 PolarHBondContact O-N 2.86Å; T740-L742 VanDerWaalsContact C-N 3.28Å; T740-L742 PolarHBondContact O-N 3.11Å
743L87.1Confident70.1Confident9 Ų968.9 Ų68.95%0.04737%0.373CS..Hα-helixtrans-86.3-25.5178.9-65.1173.8000113L724 A727 A739 T740 I745 L826 N829 L830 T833L724-L743 HydrophobicContact CD2-CD2 4.17Å; A727-L743 HydrophobicContact CB-CD1 3.9Å; A727-L743 HydrophobicContact CB-CD2 3.84Å; A727-L743 HydrophobicContact CB-CG 3.77Å; A739-L743 WeakPolarHBondContact O-CG 3.45Å; A739-L743 PolarHBondContact O-N 3.49Å; T740-L743 PolarHBondContact O-N 2.99Å; L743-I745 VanDerWaalsContact C-N 3.26Å; L743-I745 PolarHBondContact O-N 3.02Å; L743-L826 HydrophobicContact CD2-CD2 3.94Å; L743-N829 HydrophobicContact CD1-CB 3.97Å; L743-N829 HydrophobicContact CD2-CB 4.46Å; L743-L830 HydrophobicContact CB-CB 4.27Å; L743-L830 HydrophobicContact CB-CD1 4.12Å; L743-T833 HydrophobicContact CD1-CG2 3.76Å
744Q77.7Confident67.8Low97 Ų9766.2 Ų66.245%0.45336%0.359SS..  trans-73.178.3173.4-78.5179-0.500110.2T740 S746 L830T740-Q744 HydrophobicContact CG2-CG 4.04Å; T740-Q744 VanDerWaalsContact CG2-NE2 3.26Å; T740-Q744 VanDerWaalsContact O-CB 3.24Å; T740-Q744 WeakPolarHBondContact O-CB 3.4Å; T740-Q744 WeakPolarHBondContact O-CG 3.5Å; T740-Q744 PolarHBondContact O-N 3.45Å; Q744-S746 PolarHBondContact O-N 3.34Å; Q744-L830 HydrophobicContact CG-CD1 3.77Å; Q744-L830 HydrophobicContact CG-CD2 4.31Å
745I58.8Low65.7Low25 Ų2562.3 Ų62.313%0.12834%0.337CS..  trans-73.9116.2162.6-57.2175.5000105.9L743 T747 Q750 I754 L826L743-I745 VanDerWaalsContact C-N 3.26Å; L743-I745 PolarHBondContact O-N 3.02Å; I745-T747 PolarHBondContact O-N 3.49Å; I745-T747 VanDerWaalsContact O-N 3.13Å; I745-Q750 HydrophobicContact CG2-CB 3.36Å; I745-Q750 HydrophobicContact CG2-CG 4.42Å; I745-I754 HydrophobicContact CD1-CD1 3.71Å; I745-I754 HydrophobicContact CD1-CG1 3.46Å; I745-I754 VanDerWaalsContact CD1-CG1 3.46Å; I745-L826 HydrophobicContact CD1-CD1 4.49Å
746S44.8Very low63.5Low70 Ų7063.9 Ų63.949%0.4935%0.346SS..  trans-43.9119.1-172.261.50000112.3Q744 N748 Q750Q744-S746 PolarHBondContact O-N 3.34Å; S746-N748 PolarHBondContact O-N 2.57Å; S746-Q750 PolarHBondContact O-N 3.4Å
747T43Very low61.3Low94 Ų9465.3 Ų65.358%0.57736%0.357SS*.THydrogen-bonded Turntrans-63.7-12.7-167.348.30000115.3I745I745-T747 PolarHBondContact O-N 3.49Å; I745-T747 VanDerWaalsContact O-N 3.13Å
748N35.8Very low59.2Low140 Ų14059.7 Ų59.775%0.74933%0.326SS*.THydrogen-bonded Turntrans-93-17.4-166.7-71.94.8000115.5S746S746-N748 PolarHBondContact O-N 2.57Å
749N40.1Very low57Low134 Ų13461.4 Ų61.472%0.71734%0.337SS*.THydrogen-bonded Turntrans-150.59.3176.4-84.7-28.3000113.5
750Q40.9Very low54.6Low88 Ų8864.9 Ų64.941%0.41137%0.373SS..SBendtrans-127.21.8-169.4-67.2-146.9-14.900116.7I745 S746 S753 I754I745-Q750 HydrophobicContact CG2-CB 3.36Å; I745-Q750 HydrophobicContact CG2-CG 4.42Å; S746-Q750 PolarHBondContact O-N 3.4Å; Q750-S753 WeakPolarHBondContact CB-OG 3.31Å; Q750-S753 CarbonylContact O-C 3.33Å; Q750-S753 VanDerWaalsContact O-CA 3.31Å; Q750-S753 WeakPolarHBondContact O-CA 3.4Å; Q750-S753 WeakPolarHBondContact O-CB 3.4Å; Q750-S753 PolarHBondContact O-N 3.22Å; Q750-S753 PolarHBondContact O-OG 3.25Å; Q750-S753 PolarHBondContact OE1-OG 2.98Å; Q750-I754 PolarHBondContact O-N 3.36Å
751L42Very low52.2Low100 Ų10066.1 Ų66.152%0.52438%0.381SS..Hα-helixtrans-61.4-38.3153.1-168.374.8000109S753 I754 I755L751-S753 PolarHBondContact O-N 3.44Å; L751-I754 HydrophobicContact CD1-CD1 4.07Å; L751-I754 PolarHBondContact O-N 3.29Å; L751-I754 VanDerWaalsContact O-N 3.1Å; L751-I755 HydrophobicContact CG-CD1 4.48Å; L751-I755 WeakPolarHBondContact O-CG1 3.47Å; L751-I755 PolarHBondContact O-N 3.09Å
752D44.5Very low50Low106 Ų10666.4 Ų66.457%0.56738%0.38SS*.Hα-helixtrans-60.3-27.1164.7-70.4-30.6000112.4H756D752-H756 WeakPolarHBondContact O-CA 3.38Å; D752-H756 WeakPolarHBondContact O-CB 3.05Å; D752-H756 PolarHBondContact O-N 3.07Å
753S47.1Very low48.1Very low35 Ų3568 Ų6825%0.24539%0.386CS..Hα-helixtrans-79.1-29.3171.6107.20000112.9Q750 L751 S757Q750-S753 WeakPolarHBondContact CB-OG 3.31Å; Q750-S753 CarbonylContact O-C 3.33Å; Q750-S753 VanDerWaalsContact O-CA 3.31Å; Q750-S753 WeakPolarHBondContact O-CA 3.4Å; Q750-S753 WeakPolarHBondContact O-CB 3.4Å; Q750-S753 PolarHBondContact O-N 3.22Å; Q750-S753 PolarHBondContact O-OG 3.25Å; Q750-S753 PolarHBondContact OE1-OG 2.98Å; L751-S753 PolarHBondContact O-N 3.44Å; S753-S757 WeakPolarHBondContact O-CA 3.44Å; S753-S757 WeakPolarHBondContact O-CB 3.26Å; S753-S757 PolarHBondContact O-N 3.41Å; S753-S757 PolarHBondContact O-OG 2.87Å
754I45.4Very low45.6Very low13 Ų1370 Ų707%0.06740%0.404CS..Hα-helixtrans-65.7-51.1167.2-67.1159.5000107.9I745 Q750 L751 H756 S757 L758 L826I745-I754 HydrophobicContact CD1-CD1 3.71Å; I745-I754 HydrophobicContact CD1-CG1 3.46Å; I745-I754 VanDerWaalsContact CD1-CG1 3.46Å; Q750-I754 PolarHBondContact O-N 3.36Å; L751-I754 HydrophobicContact CD1-CD1 4.07Å; L751-I754 PolarHBondContact O-N 3.29Å; L751-I754 VanDerWaalsContact O-N 3.1Å; I754-H756 VanDerWaalsContact C-N 3.3Å; I754-H756 PolarHBondContact O-N 2.86Å; I754-S757 VanDerWaalsContact CA-OG 3.27Å; I754-S757 WeakPolarHBondContact CA-OG 3.2Å; I754-S757 CarbonylContact O-C 3.54Å; I754-S757 WeakPolarHBondContact O-CA 3.19Å; I754-S757 PolarHBondContact O-N 3.13Å; I754-S757 VanDerWaalsContact O-N 3.1Å; I754-S757 PolarHBondContact O-OG 3.2Å; I754-L758 HydrophobicContact CG2-CD1 3.68Å; I754-L758 HydrophobicContact CG2-CG 4.24Å; I754-L758 WeakPolarHBondContact O-CB 3.3Å; I754-L758 VanDerWaalsContact O-CG 3.3Å; I754-L758 WeakPolarHBondContact O-CG 3.48Å; I754-L758 PolarHBondContact O-N 3.34Å; I754-L826 HydrophobicContact CD1-CD1 3.59Å; I754-L826 HydrophobicContact CG1-CD1 4.02Å; I754-L826 HydrophobicContact CG2-CD1 4.32Å
755I47.8Very low43.8Very low58 Ų5866.9 Ų66.930%0.29739%0.39SS..Hα-helixtrans-57.4-44.2176.6-65.3167.1000109.9L751 L758 N759 V819L751-I755 HydrophobicContact CG-CD1 4.48Å; L751-I755 WeakPolarHBondContact O-CG1 3.47Å; L751-I755 PolarHBondContact O-N 3.09Å; I755-L758 CarbonylContact O-C 3.59Å; I755-L758 PolarHBondContact O-N 3.04Å; I755-L758 VanDerWaalsContact O-N 3.13Å; I755-N759 WeakPolarHBondContact O-CA 3.24Å; I755-N759 WeakPolarHBondContact O-CB 3.14Å; I755-N759 PolarHBondContact O-N 3.25Å; I755-N759 PolarHBondContact O-OD1 3.48Å; I755-V819 HydrophobicContact CB-CG1 4.29Å; I755-V819 HydrophobicContact CG1-CG1 3.76Å
756H47.1Very low42.7Very low128 Ų12868 Ų6859%0.59340%0.398SS*.Hα-helixtrans-74.1-27.7177.2-166.389.7000112.8K716 D752 I754 L758K716-H756 PolarHBondContact NZ-O 3.45Å; D752-H756 WeakPolarHBondContact O-CA 3.38Å; D752-H756 WeakPolarHBondContact O-CB 3.05Å; D752-H756 PolarHBondContact O-N 3.07Å; I754-H756 VanDerWaalsContact C-N 3.3Å; I754-H756 PolarHBondContact O-N 2.86Å; H756-L758 VanDerWaalsContact C-N 3.28Å
757S46.8Very low42.2Very low42 Ų4269.5 Ų69.529%0.29440%0.396SS..Hα-helixtrans-77.8-14.8168.976.70000112.3K716 S753 I754K716-S757 WeakPolarHBondContact CB-O 3.47Å; K716-S757 VanDerWaalsContact CD-C 3.49Å; K716-S757 WeakPolarHBondContact CD-O 3.43Å; S753-S757 WeakPolarHBondContact O-CA 3.44Å; S753-S757 WeakPolarHBondContact O-CB 3.26Å; S753-S757 PolarHBondContact O-N 3.41Å; S753-S757 PolarHBondContact O-OG 2.87Å; I754-S757 VanDerWaalsContact CA-OG 3.27Å; I754-S757 WeakPolarHBondContact CA-OG 3.2Å; I754-S757 CarbonylContact O-C 3.54Å; I754-S757 WeakPolarHBondContact O-CA 3.19Å; I754-S757 PolarHBondContact O-N 3.13Å; I754-S757 VanDerWaalsContact O-N 3.1Å; I754-S757 PolarHBondContact O-OG 3.2Å
758L47Very low41.7Very low3 Ų365.8 Ų65.82%0.01637%0.373CS..Hα-helixtrans-108.2-10.3173.2-65176.9000111.5I754 I755 H756 G760 V761 V819 S822I754-L758 HydrophobicContact CG2-CD1 3.68Å; I754-L758 HydrophobicContact CG2-CG 4.24Å; I754-L758 WeakPolarHBondContact O-CB 3.3Å; I754-L758 VanDerWaalsContact O-CG 3.3Å; I754-L758 WeakPolarHBondContact O-CG 3.48Å; I754-L758 PolarHBondContact O-N 3.34Å; I755-L758 CarbonylContact O-C 3.59Å; I755-L758 PolarHBondContact O-N 3.04Å; I755-L758 VanDerWaalsContact O-N 3.13Å; H756-L758 VanDerWaalsContact C-N 3.28Å; L758-G760 PolarHBondContact O-N 3.29Å; L758-G760 VanDerWaalsContact O-N 3.11Å; L758-V761 HydrophobicContact CD2-CB 4.33Å; L758-V761 HydrophobicContact CD2-CG2 3.95Å; L758-V761 WeakPolarHBondContact O-CB 3.45Å; L758-V761 PolarHBondContact O-N 3.46Å; L758-V819 HydrophobicContact CB-CG1 4.29Å; L758-V819 HydrophobicContact CB-CG2 3.91Å; L758-V819 HydrophobicContact CD1-CG1 4.08Å; L758-V819 HydrophobicContact CD1-CG2 4.48Å; L758-S822 WeakPolarHBondContact CD1-OG 3.39Å
759N44.6Very low41.4Very low90 Ų9060.8 Ų60.848%0.48134%0.344SS..THydrogen-bonded Turntrans-63.3115.1171.8-80.7-12.6000106.7I755I755-N759 WeakPolarHBondContact O-CA 3.24Å; I755-N759 WeakPolarHBondContact O-CB 3.14Å; I755-N759 PolarHBondContact O-N 3.25Å; I755-N759 PolarHBondContact O-OD1 3.48Å
760G42.1Very low40.7Very low74 Ų7457.7 Ų57.776%0.76333%0.331SS*.THydrogen-bonded Turntrans95.8-5.4-173.100000115.4L758 C762L758-G760 PolarHBondContact O-N 3.29Å; L758-G760 VanDerWaalsContact O-N 3.11Å; G760-C762 PolarHBondContact O-N 3.01Å
761V40.4Very low40Very low29 Ų2957.6 Ų57.618%0.17633%0.334CS..  trans-78.4105171178.50000108.3K716 I717 L758 F763K716-V761 HydrophobicContact CB-CG2 4.23Å; I717-V761 HydrophobicContact CB-CG1 4.31Å; L758-V761 HydrophobicContact CD2-CB 4.33Å; L758-V761 HydrophobicContact CD2-CG2 3.95Å; L758-V761 WeakPolarHBondContact O-CB 3.45Å; L758-V761 PolarHBondContact O-N 3.46Å; V761-F763 HydrophobicContact CG1-CE1 4.29Å; V761-F763 HydrophobicContact CG1-CE2 4.34Å; V761-F763 HydrophobicContact CG1-CZ 4.17Å
762C40.8Very low39.2Very low47 Ų4756.2 Ų56.232%0.31833%0.33SS..  trans-87.5117.1170.3-170.30000108.7G760 A764 F767G760-C762 PolarHBondContact O-N 3.01Å; C762-A764 PolarHBondContact O-N 3.3Å; C762-F767 HydrophobicContact CB-CB 3.42Å; C762-F767 VanDerWaalsContact CB-CB 3.42Å; C762-F767 HydrophobicContact CB-CG 4.46Å; C762-F767 WeakPolarHBondContact CB-O 3.34Å
763F45.6Very low38.4Very low47 Ų4756.5 Ų56.521%0.20633%0.331CS..  trans-74.8-0175.4-63.5-85.6000112.8I717 V761 P816 S817I717-F763 HydrophobicContact CD1-CE1 4.31Å; V761-F763 HydrophobicContact CG1-CE1 4.29Å; V761-F763 HydrophobicContact CG1-CE2 4.34Å; V761-F763 HydrophobicContact CG1-CZ 4.17Å; F763-P816 WeakPolarHBondContact CD1-O 2.84Å; F763-P816 WeakPolarHBondContact CE1-O 3.08Å; F763-S817 WeakPolarHBondContact CD2-O 3.3Å; F763-S817 WeakPolarHBondContact CG-O 3.47Å
764A35.4Very low37.4Very low49 Ų4962.2 Ų62.241%0.40535%0.348SS..SBendtrans-89.6140.7178.800000111.9C762 P766 F767C762-A764 PolarHBondContact O-N 3.3Å; A764-P766 VanDerWaalsContact C-N 3.34Å; A764-P766 WeakPolarHBondContact O-CD 3.45Å; A764-F767 PolarHBondContact O-N 3.08Å
765M40Very low36.5Very low33 Ų3367.2 Ų67.216%0.16337%0.374CS..THydrogen-bonded Turntrans-50.4-27.3-172.2-93.4-75.7-164.800118.4F502 F767 P1063 P1064F502-M765 HydrophobicContact CD1-CE 3.61Å; F502-M765 HydrophobicContact CD1-SD 4.37Å; F502-M765 HydrophobicContact CE1-CE 3.44Å; F502-M765 VanDerWaalsContact CE1-CE 3.44Å; F502-M765 HydrophobicContact CE1-SD 3.93Å; M765-F767 PolarHBondContact O-N 3.48Å; M765-P1063 HydrophobicContact CE-CB 3.89Å; M765-P1064 HydrophobicContact CE-CG 4.23Å
766P34.6Very low35.3Very low47 Ų4772.2 Ų72.231%0.30540%0.396SS..THydrogen-bonded Turntrans-78.5-9.1175.6-8.724.7000113.4A764A764-P766 VanDerWaalsContact C-N 3.34Å; A764-P766 WeakPolarHBondContact O-CD 3.45Å
767F35.5Very low34.2Very low103 Ų10370.2 Ų70.245%0.45240%0.396SS..  trans-137.826.4-158.9-57-66.2000115.3C762 A764 M765 F769C762-F767 HydrophobicContact CB-CB 3.42Å; C762-F767 VanDerWaalsContact CB-CB 3.42Å; C762-F767 HydrophobicContact CB-CG 4.46Å; C762-F767 WeakPolarHBondContact CB-O 3.34Å; A764-F767 PolarHBondContact O-N 3.08Å; M765-F767 PolarHBondContact O-N 3.48Å; F767-F769 PolarHBondContact O-N 3.35Å
768L31.7Very low33.1Very low16 Ų1672.8 Ų72.88%0.08441%0.414CS..SBendtrans-67.413.3168-83.2157.3000113.7I717 W1062 P1064I717-L768 HydrophobicContact CG2-CD2 4.29Å; L768-W1062 VanDerWaalsContact CD1-O 3.3Å; L768-W1062 WeakPolarHBondContact CD1-O 3.47Å; L768-P1064 HydrophobicContact CD1-CB 3.85Å; L768-P1064 HydrophobicContact CD1-CG 4.05Å
769F30.7Very low32.1Very low35 Ų3577.4 Ų77.415%0.15444%0.443CS..SBendtrans-119.1145176.4-62.7-94.4000110.8H655 F767 N771 N1060 W1062H655-F769 HydrophobicContact CB-CE1 4.33Å; H655-F769 AromaticContact ND1-CD1 3.6Å; H655-F769 AromaticContact ND1-CE1 3.86Å; F767-F769 PolarHBondContact O-N 3.35Å; F769-N771 PolarHBondContact O-N 2.98Å; F769-N1060 WeakPolarHBondContact CD2-O 3.36Å; F769-N1060 VanDerWaalsContact CE2-C 3.41Å; F769-N1060 WeakPolarHBondContact CE2-O 3.38Å; F769-N1060 HydrophobicContact CZ-CB 4.34Å; F769-N1060 WeakPolarHBondContact CZ-O 3.46Å; F769-W1062 AromaticContact CE1-CD1 3.11Å; F769-W1062 HydrophobicContact CE1-CG 4.25Å; F769-W1062 AromaticContact CE1-NE1 3.23Å; F769-W1062 HydrophobicContact CE2-CB 4.46Å; F769-W1062 AromaticContact CE2-CD1 3.87Å; F769-W1062 HydrophobicContact CE2-CG 4.41Å; F769-W1062 HydrophobicContact CZ-CB 4.17Å; F769-W1062 AromaticContact CZ-CD1 2.89Å; F769-W1062 AromaticContact CZ-CG 3.67Å; F769-W1062 HydrophobicContact CZ-CG 3.67Å; F769-W1062 AromaticContact CZ-NE1 3.3Å; F769-W1062 VanDerWaalsContact CZ-NE1 3.3Å
770P25.2Very low31.1Very low68 Ų6880 Ų8044%0.44246%0.457SS..  trans-59.6127.8162.3-10.524.3000108.6T772P770-T772 PolarHBondContact O-N 3.25Å
771N25.3Very low30.3Very low87 Ų8784.1 Ų84.147%0.46546%0.461SS..  trans-57.4114.3173.1-153.328.7000108.4F769 D773 Y774F769-N771 PolarHBondContact O-N 2.98Å; N771-D773 PolarHBondContact ND2-OD2 2.88Å; N771-D773 PolarHBondContact O-N 2.93Å; N771-D773 VanDerWaalsContact O-N 3.13Å; N771-Y774 PolarHBondContact O-N 3.43Å
772T26.5Very low29.5Very low71 Ų7190.4 Ų90.444%0.43649%0.494SS..G310 helixtrans-67.6-9.7-17743.10000113.3P770 Y774 I775P770-T772 PolarHBondContact O-N 3.25Å; T772-Y774 PolarHBondContact O-N 2.91Å; T772-Y774 VanDerWaalsContact O-N 3.07Å; T772-I775 PolarHBondContact O-N 3.37Å
773D26.1Very low28.8Very low112 Ų11295 Ų9560%0.59952%0.515SS*.G310 helixtrans-57.4-22.4174.6-62.2-23.3000112.9N771N771-D773 PolarHBondContact ND2-OD2 2.88Å; N771-D773 PolarHBondContact O-N 2.93Å; N771-D773 VanDerWaalsContact O-N 3.13Å
774Y26.3Very low27.8Very low154 Ų15497.5 Ų97.560%0.60454%0.538SS*.G310 helixtrans-79.3-17.2177.8-102.5-84.7000114.9N771 T772 S777 I795N771-Y774 PolarHBondContact O-N 3.43Å; T772-Y774 PolarHBondContact O-N 2.91Å; T772-Y774 VanDerWaalsContact O-N 3.07Å; Y774-S777 PolarHBondContact O-OG 3.38Å; Y774-I795 WeakPolarHBondContact OH-CD1 3.19Å
775I26Very low27.4Very low118 Ų118101.3 Ų101.361%0.60556%0.556SS**THydrogen-bonded Turntrans-82.4-21.6179.2-62.3178.5000111.2T772T772-I775 PolarHBondContact O-N 3.37Å
776H23.5Very low26.6Very low164 Ų164106.4 Ų106.476%0.75958%0.584SS**SBendtrans-88.4-4.4179-87.7-65.6000115.3
777S23.7Very low26.2Very low85 Ų85111.4 Ų111.459%0.59461%0.609SS**SBendtrans-101.7-0.5179.160.30000115.3Y774Y774-S777 PolarHBondContact O-OG 3.38Å
778S24.7Very low25.7Very low97 Ų97114.9 Ų114.968%0.67863%0.632SS**SBendtrans-100.48.3177.561.90000115.2
779T25.5Very low25.4Very low99 Ų99118.5 Ų118.561%0.60766%0.659SS**SBendtrans-125.970.6172.954.10000110.4
780N23.5Very low25.1Very low146 Ų146124 Ų12478%0.78169%0.689SS**SBendtrans171.784.5146.2-87.1-12.8000108
781N24.9Very low25.1Very low160 Ų160125.9 Ų125.986%0.85670%0.704SS**  trans-161.274.7147.2-91.4-16.5000106.3D783N781-D783 VanDerWaalsContact C-N 3.25Å; N781-D783 PolarHBondContact O-N 3.12Å; N781-D783 VanDerWaalsContact O-N 3.13Å
782N23.5Very low25.1Very low161 Ų161127.6 Ų127.686%0.86172%0.722SS**  trans-70.190157.1-81.8-24.3000106.5
783D26.1Very low25.1Very low143 Ų143130.3 Ų130.377%0.76573%0.734SS**  trans-148.5105.2157.8-89.6-32.6000110.1N781N781-D783 VanDerWaalsContact C-N 3.25Å; N781-D783 PolarHBondContact O-N 3.12Å; N781-D783 VanDerWaalsContact O-N 3.13Å
784S25.6Very low25Very low99 Ų99134 Ų13469%0.69275%0.747SS**  trans36.4118.414559.30000121.5
785V25.8Very low24.9Very low129 Ų129132.8 Ų132.878%0.78275%0.75SS**  78.8116.9127.7-178.60000118.8
786N23.9Very low24.7Very low140 Ų140130.6 Ų130.675%0.74975%0.745SS**  trans27.4110.9148.1-72.6-15.5000117.4
787N25.6Very low24.9Very low153 Ų153127.7 Ų127.782%0.81874%0.741SS**  -166.1136.7116.1-93-31.1000111.4S789N787-S789 PolarHBondContact O-N 2.95Å; N787-S789 VanDerWaalsContact O-N 3.09Å
788N24.8Very low24.8Very low176 Ų176127.2 Ų127.294%0.94174%0.737SS**  trans-56.2105.2163.3-72.4-30.5000109.7
789S25.7Very low24.8Very low92 Ų92130.5 Ų130.564%0.64374%0.739SS**  trans-154.9129.5152.352.50000109.1N787 S791N787-S789 PolarHBondContact O-N 2.95Å; N787-S789 VanDerWaalsContact O-N 3.09Å; S789-S791 PolarHBondContact O-N 3.3Å
790N25.7Very low24.9Very low150 Ų150132.6 Ų132.680%0.80275%0.746SS**  trans-64.770.6-179.5-70-21.8000111.8C792N790-C792 PolarHBondContact O-N 2.88Å
791S24.2Very low24.9Very low107 Ų107131.3 Ų131.375%0.74874%0.743SS**THydrogen-bonded Turntrans-90.254.4169.9560000111.3S789S789-S791 PolarHBondContact O-N 3.3Å
792C26.1Very low24.9Very low123 Ų123128.9 Ų128.983%0.83173%0.73SS**THydrogen-bonded Turntrans-122.86.4157.1-82.90000112.1N790 Q794N790-C792 PolarHBondContact O-N 2.88Å; C792-Q794 PolarHBondContact O-N 3.17Å
793D26.1Very low24.9Very low129 Ų129130.8 Ų130.869%0.6973%0.731SS**SBendtrans-95.273.8171.8-69.6-28.7000109.8
794Q23Very low24.9Very low189 Ų189128.6 Ų128.688%0.88373%0.726SS**  trans172.268156.4-96.7164.550.300110.7C792C792-Q794 PolarHBondContact O-N 3.17Å
795I24Very low25Very low129 Ų129126.8 Ų126.866%0.66271%0.713SS**  trans-112.393.5154.2-57.8174000105.9Y774Y774-I795 WeakPolarHBondContact OH-CD1 3.19Å
796S21.9Very low25.1Very low72 Ų72128.3 Ų128.350%0.50371%0.71SS.*  trans-63.8125.9171.7420000108.7S798S796-S798 WeakPolarHBondContact CB-OG 3.26Å; S796-S798 PolarHBondContact O-N 2.98Å; S796-S798 PolarHBondContact OG-OG 3.38Å
797P27.7Very low25.2Very low103 Ų103126.9 Ų126.967%0.66970%0.698SS**G310 helixtrans-65.63.5178.523.8-31000113.6F799 L800P797-F799 VanDerWaalsContact C-N 3.3Å; P797-F799 PolarHBondContact O-N 3.22Å; P797-L800 PolarHBondContact O-N 3.42Å
798S23.5Very low25.5Very low74 Ų74123.4 Ų123.452%0.51769%0.686SS.*G310 helixtrans-65.8-26.9177.750.10000113.6S796S796-S798 WeakPolarHBondContact CB-OG 3.26Å; S796-S798 PolarHBondContact O-N 2.98Å; S796-S798 PolarHBondContact OG-OG 3.38Å
799F24.1Very low26Very low166 Ų166118.9 Ų118.973%0.72866%0.661SS**G310 helixtrans-75.1-25.1-179.4-114.1-86.9000113.9P797P797-F799 VanDerWaalsContact C-N 3.3Å; P797-F799 PolarHBondContact O-N 3.22Å
800L27.1Very low26.6Very low143 Ų143120.9 Ų120.975%0.74966%0.663SS**THydrogen-bonded Turntrans-89.7-12.9177.7-73.2171.7000113.7P797 N802P797-L800 PolarHBondContact O-N 3.42Å; L800-N802 PolarHBondContact O-N 2.92Å
801V24.5Very low27.6Very low119 Ų119118 Ų11872%0.72164%0.641SS**THydrogen-bonded Turntrans-83.33.4173.6-179.20000111.6K803V801-K803 PolarHBondContact O-N 3.48Å
802N23.2Very low28.7Very low109 Ų109115.4 Ų115.458%0.58362%0.622SS**THydrogen-bonded Turntrans-64.7111.9-179.4-93.5-24.1000112.5L800 C804L800-N802 PolarHBondContact O-N 2.92Å; N802-C804 PolarHBondContact O-N 3.21Å
803K24.4Very low30.1Very low201 Ų201111.9 Ų111.987%0.87460%0.596SS**THydrogen-bonded Turntrans65.731157.5-65.2-175177.2177.70118.3V801 S805V801-K803 PolarHBondContact O-N 3.48Å; K803-S805 PolarHBondContact O-N 3.37Å; K803-S805 VanDerWaalsContact O-N 3.16Å
804C26.8Very low32Very low98 Ų98108.3 Ų108.366%0.66258%0.577SS**  trans-72.7108.2151.8-149.20000107.4N802 K806N802-C804 PolarHBondContact O-N 3.21Å; C804-K806 PolarHBondContact O-N 2.96Å; C804-K806 VanDerWaalsContact O-N 3.12Å
805S26.9Very low34.2Very low61 Ų61100 Ų10043%0.42754%0.538SS..  trans-46.4123174.854.80000108.8R426 K803 Q807R426-S805 PolarHBondContact NH2-OG 2.89Å; K803-S805 PolarHBondContact O-N 3.37Å; K803-S805 VanDerWaalsContact O-N 3.16Å; S805-Q807 PolarHBondContact O-N 2.97Å
806K26.9Very low36.6Very low161 Ų16194.6 Ų94.670%0.751%0.511SS*.  trans-66.746.8173.7-65.8-179.1179.7177.30111.4C804 S808 Y867C804-K806 PolarHBondContact O-N 2.96Å; C804-K806 VanDerWaalsContact O-N 3.12Å; K806-S808 PolarHBondContact O-N 2.94Å; K806-Y867 HydrophobicContact CB-CE1 4.49Å; K806-Y867 HydrophobicContact CD-CE1 4.45Å; K806-Y867 HydrophobicContact CG-CE1 4.42Å
807Q27.7Very low39Very low110 Ų11093.3 Ų93.351%0.51450%0.502SS..  trans-87.8101.5173.1-78.6-176.5-19.700108.1S805 I809S805-Q807 PolarHBondContact O-N 2.97Å; Q807-I809 WeakPolarHBondContact O-CG1 3.3Å; Q807-I809 PolarHBondContact O-N 3.38Å; Q807-I809 VanDerWaalsContact O-N 3.13Å
808S30.2Very low41.3Very low79 Ų7991.2 Ų91.255%0.55249%0.485SS*.  trans6.587.2151.961.50000116.7K806K806-S808 PolarHBondContact O-N 2.94Å
809I36.1Very low43.7Very low81 Ų8189.5 Ų89.542%0.41547%0.472SS..  trans-100.2116.6165.4-50.4-178.6000107.3Q807 R811Q807-I809 WeakPolarHBondContact O-CG1 3.3Å; Q807-I809 PolarHBondContact O-N 3.38Å; Q807-I809 VanDerWaalsContact O-N 3.13Å; I809-R811 HydrophobicContact CG2-CG 3.77Å; I809-R811 PolarHBondContact O-N 3.15Å
810I37.9Very low46.4Very low135 Ų13587.1 Ų87.169%0.69247%0.465SS*.  trans-67.8107168.5-60.2156.4000107W866I810-W866 HydrophobicContact CB-CH2 4.24Å; I810-W866 HydrophobicContact CB-CZ2 4.45Å; I810-W866 HydrophobicContact CD1-CH2 3.74Å; I810-W866 HydrophobicContact CD1-CZ2 4.3Å; I810-W866 HydrophobicContact CG1-CH2 3.01Å; I810-W866 HydrophobicContact CG1-CZ2 3.49Å; I810-W866 VanDerWaalsContact CG1-CZ2 3.49Å; I810-W866 HydrophobicContact CG1-CZ3 3.87Å
811R47.5Very low49.1Very low88 Ų8881.2 Ų81.233%0.33243%0.434SS..  trans-133.8144165.1-66-170.3-178.1163.40.8110G425 I809G425-R811 PolarHBondContact O-NH2 2.95Å; I809-R811 HydrophobicContact CG2-CG 3.77Å; I809-R811 PolarHBondContact O-N 3.15Å
812P47.6Very low51.9Low54 Ų5475.6 Ų75.635%0.35140%0.4SS..  trans-55.3144.2163.425.5-31.5000108.7D814P812-D814 PolarHBondContact O-N 3.14Å
813V55.8Low54.7Low49 Ų4971.3 Ų71.330%0.29738%0.379SS..  trans-65110.8175.9177.80000107.6L543 E860L543-V813 HydrophobicContact CD1-CB 4.1Å; L543-V813 WeakPolarHBondContact CD1-O 3.03Å; V813-E860 HydrophobicContact CG2-CB 4.19Å; V813-E860 HydrophobicContact CG2-CG 4.45Å
814D64.6Low57.8Low53 Ų5362.1 Ų62.128%0.28334%0.34SS..  trans-67.5144.5172.4-65.7-35.5000109.3P812 S817P812-D814 PolarHBondContact O-N 3.14Å; D814-S817 WeakPolarHBondContact O-CB 2.98Å
815F70.3Confident60.8Low14 Ų1459 Ų596%0.06132%0.317CS..SBendtrans-135.2129.5178.2-177.2-84.2000109.8N542 L543 W546 Q821 L825 L854 I856N542-F815 PolarHBondContact ND2-O 3.48Å; L543-F815 HydrophobicContact CD2-CB 3.66Å; L543-F815 HydrophobicContact CD2-CG 4.25Å; W546-F815 AromaticContact CH2-CD1 3.75Å; W546-F815 HydrophobicContact CH2-CD1 3.75Å; W546-F815 HydrophobicContact CH2-CD2 4.23Å; W546-F815 AromaticContact CH2-CE1 3.58Å; W546-F815 HydrophobicContact CH2-CE1 3.58Å; W546-F815 HydrophobicContact CH2-CE2 4.07Å; W546-F815 HydrophobicContact CH2-CG 4.08Å; W546-F815 AromaticContact CH2-CZ 3.75Å; W546-F815 HydrophobicContact CH2-CZ 3.75Å; W546-F815 HydrophobicContact CZ2-CD2 4.32Å; W546-F815 HydrophobicContact CZ2-CE1 4.21Å; W546-F815 AromaticContact CZ2-CE2 3.94Å; W546-F815 HydrophobicContact CZ2-CE2 3.94Å; W546-F815 AromaticContact CZ2-CZ 3.89Å; W546-F815 HydrophobicContact CZ2-CZ 3.89Å; W546-F815 HydrophobicContact CZ3-CD1 4.34Å; F815-Q821 HydrophobicContact CD2-CB 4.41Å; F815-Q821 HydrophobicContact CD2-CG 4.38Å; F815-Q821 HydrophobicContact CE2-CB 3.85Å; F815-Q821 HydrophobicContact CE2-CG 3.88Å; F815-Q821 HydrophobicContact CZ-CB 4.25Å; F815-L825 HydrophobicContact CE1-CD1 4.47Å; F815-L825 HydrophobicContact CE1-CD2 4.3Å; F815-L854 HydrophobicContact CZ-CD2 3.94Å; F815-I856 HydrophobicContact CD2-CD1 3.78Å; F815-I856 HydrophobicContact CD2-CG1 4.48Å; F815-I856 HydrophobicContact CE2-CD1 4.27Å
816P73.3Confident63.7Low16 Ų1656.6 Ų56.610%0.10430%0.299CS..SBendcis-73.7135.8-3.530.6-34.3000112.7Y720 F763 Q821Y720-P816 HydrophobicContact CE1-CG 4.43Å; F763-P816 WeakPolarHBondContact CD1-O 2.84Å; F763-P816 WeakPolarHBondContact CE1-O 3.08Å; P816-Q821 HydrophobicContact CB-CB 3.75Å
817S73.6Confident66.7Low45 Ų4549.9 Ų49.932%0.31527%0.273SS..  trans-94.2-13.9177.862.80000114.3F763 D814 Q821F763-S817 WeakPolarHBondContact CD2-O 3.3Å; F763-S817 WeakPolarHBondContact CG-O 3.47Å; D814-S817 WeakPolarHBondContact O-CB 2.98Å; S817-Q821 PolarHBondContact OG-OE1 3.04Å
818N74.8Confident69.9Low59 Ų5946.1 Ų46.132%0.31626%0.255SS..SBendtrans-151.2168.3-175.764.357.8000111.6I820 Q821 S822N818-I820 VanDerWaalsContact C-N 3.26Å; N818-I820 PolarHBondContact O-N 3.43Å; N818-I820 WeakPolarHBondContact OD1-CA 3.23Å; N818-I820 WeakPolarHBondContact OD1-CB 3.48Å; N818-I820 PolarHBondContact OD1-N 3.22Å; N818-Q821 PolarHBondContact O-N 3.03Å; N818-Q821 WeakPolarHBondContact OD1-CG 3.48Å; N818-Q821 PolarHBondContact OD1-N 2.99Å; N818-S822 PolarHBondContact O-N 3.5Å; N818-S822 PolarHBondContact O-OG 2.95Å
819V74.3Confident72.9Confident39 Ų3944.3 Ų44.324%0.23624%0.239CC..Hα-helixtrans-62.7-30.5-176.4-176.40000112.9I755 L758 S822 S823I755-V819 HydrophobicContact CB-CG1 4.29Å; I755-V819 HydrophobicContact CG1-CG1 3.76Å; L758-V819 HydrophobicContact CB-CG1 4.29Å; L758-V819 HydrophobicContact CB-CG2 3.91Å; L758-V819 HydrophobicContact CD1-CG1 4.08Å; L758-V819 HydrophobicContact CD1-CG2 4.48Å; V819-S822 WeakPolarHBondContact CA-OG 3Å; V819-S822 PolarHBondContact O-OG 3.27Å; V819-S823 VanDerWaalsContact O-CB 3.31Å; V819-S823 WeakPolarHBondContact O-CB 3.32Å; V819-S823 PolarHBondContact O-N 3.46Å; V819-S823 PolarHBondContact O-OG 2.99Å
820I80.4Confident75.6Confident115 Ų11540.9 Ų40.959%0.5922%0.221SC*.Hα-helixtrans-70.7-45.2178.3-59172.9000109.7N818 S823 S824N818-I820 VanDerWaalsContact C-N 3.26Å; N818-I820 PolarHBondContact O-N 3.43Å; N818-I820 WeakPolarHBondContact OD1-CA 3.23Å; N818-I820 WeakPolarHBondContact OD1-CB 3.48Å; N818-I820 PolarHBondContact OD1-N 3.22Å; I820-S823 PolarHBondContact O-N 3.17Å; I820-S824 VanDerWaalsContact O-CB 3.23Å; I820-S824 WeakPolarHBondContact O-CB 3.41Å; I820-S824 PolarHBondContact O-N 3.32Å; I820-S824 PolarHBondContact O-OG 3.08Å
821Q85Confident78.3Confident19 Ų1934.4 Ų34.49%0.08919%0.188CC..Hα-helixtrans-63.6-42.1177-68.1-177.6-15.200111.4F815 P816 S817 N818 S824 L825 G853F815-Q821 HydrophobicContact CD2-CB 4.41Å; F815-Q821 HydrophobicContact CD2-CG 4.38Å; F815-Q821 HydrophobicContact CE2-CB 3.85Å; F815-Q821 HydrophobicContact CE2-CG 3.88Å; F815-Q821 HydrophobicContact CZ-CB 4.25Å; P816-Q821 HydrophobicContact CB-CB 3.75Å; S817-Q821 PolarHBondContact OG-OE1 3.04Å; N818-Q821 PolarHBondContact O-N 3.03Å; N818-Q821 WeakPolarHBondContact OD1-CG 3.48Å; N818-Q821 PolarHBondContact OD1-N 2.99Å; Q821-S824 PolarHBondContact O-N 3.36Å; Q821-L825 WeakPolarHBondContact O-CB 3.4Å; Q821-L825 PolarHBondContact O-N 3.46Å; Q821-G853 VanDerWaalsContact CG-O 3.3Å; Q821-G853 WeakPolarHBondContact CG-O 3.22Å
822S82.6Confident80.6Confident1 Ų132.1 Ų32.11%0.00718%0.184CC..Hα-helixtrans-68.1-39.9178.462.70000112.9Y720 L758 N818 V819 S824 L825 L826Y720-S822 WeakPolarHBondContact OH-CA 3.22Å; Y720-S822 PolarHBondContact OH-O 3.44Å; L758-S822 WeakPolarHBondContact CD1-OG 3.39Å; N818-S822 PolarHBondContact O-N 3.5Å; N818-S822 PolarHBondContact O-OG 2.95Å; V819-S822 WeakPolarHBondContact CA-OG 3Å; V819-S822 PolarHBondContact O-OG 3.27Å; S822-S824 VanDerWaalsContact C-N 3.35Å; S822-L825 PolarHBondContact O-N 3.32Å; S822-L826 PolarHBondContact O-N 2.8Å; S822-L826 VanDerWaalsContact O-N 3.09Å
823S82.5Confident82.8Confident19 Ų1929.8 Ų29.813%0.13317%0.168CC..Hα-helixtrans-66-40.5175.1-57.10000111.2V819 I820 L826 A827V819-S823 VanDerWaalsContact O-CB 3.31Å; V819-S823 WeakPolarHBondContact O-CB 3.32Å; V819-S823 PolarHBondContact O-N 3.46Å; V819-S823 PolarHBondContact O-OG 2.99Å; I820-S823 PolarHBondContact O-N 3.17Å; S823-L826 PolarHBondContact O-N 2.88Å; S823-A827 PolarHBondContact O-N 2.56Å
824S88.5Confident84.7Confident9 Ų927.4 Ų27.46%0.06315%0.154CC..Hα-helixtrans-64.6-39.2175.5-63.50000112.1I820 Q821 S822 L826 A827 Y828 A850 G853I820-S824 VanDerWaalsContact O-CB 3.23Å; I820-S824 WeakPolarHBondContact O-CB 3.41Å; I820-S824 PolarHBondContact O-N 3.32Å; I820-S824 PolarHBondContact O-OG 3.08Å; Q821-S824 PolarHBondContact O-N 3.36Å; S822-S824 VanDerWaalsContact C-N 3.35Å; S824-L826 PolarHBondContact O-N 3.41Å; S824-A827 PolarHBondContact O-N 3Å; S824-Y828 WeakPolarHBondContact O-CB 3.33Å; S824-Y828 PolarHBondContact O-N 3.27Å; S824-A850 WeakPolarHBondContact CB-O 3.31Å; S824-A850 WeakPolarHBondContact O-CB 3.5Å; S824-A850 PolarHBondContact OG-O 3.48Å; S824-G853 WeakPolarHBondContact OG-CA 3.31Å; S824-G853 PolarHBondContact OG-N 2.85Å
825L89.9Confident86.1Confident33 Ų3325.1 Ų25.117%0.17314%0.143CC..Hα-helixtrans-64.5-38.3174.9-177.760.5000112.1L724 F815 Q821 S822 Y828 N829L724-L825 HydrophobicContact CD1-CD2 3.9Å; L724-L825 HydrophobicContact CD1-CG 4.27Å; F815-L825 HydrophobicContact CE1-CD1 4.47Å; F815-L825 HydrophobicContact CE1-CD2 4.3Å; Q821-L825 WeakPolarHBondContact O-CB 3.4Å; Q821-L825 PolarHBondContact O-N 3.46Å; S822-L825 PolarHBondContact O-N 3.32Å; L825-Y828 HydrophobicContact CD1-CD1 4.41Å; L825-N829 PolarHBondContact O-N 3.2Å; L825-N829 VanDerWaalsContact O-N 3.08Å; L825-N829 PolarHBondContact O-ND2 2.88Å
826L88.9Confident87.3Confident10 Ų1028.6 Ų28.65%0.05216%0.161CC..Hα-helixtrans-64.7-48.2172.6-80.1169.5000111.9Y720 L724 L743 I745 I754 S822 S823 S824 Y828 N829 L830Y720-L826 HydrophobicContact CD2-CD1 4.02Å; Y720-L826 HydrophobicContact CD2-CG 4.4Å; Y720-L826 HydrophobicContact CE2-CD1 3.5Å; Y720-L826 VanDerWaalsContact CE2-CD1 3.5Å; Y720-L826 HydrophobicContact CE2-CD2 4.19Å; Y720-L826 HydrophobicContact CE2-CG 3.59Å; L724-L826 HydrophobicContact CD2-CD2 3.55Å; L724-L826 HydrophobicContact CD2-CG 4.36Å; L724-L826 HydrophobicContact CG-CD2 4.38Å; L743-L826 HydrophobicContact CD2-CD2 3.94Å; I745-L826 HydrophobicContact CD1-CD1 4.49Å; I754-L826 HydrophobicContact CD1-CD1 3.59Å; I754-L826 HydrophobicContact CG1-CD1 4.02Å; I754-L826 HydrophobicContact CG2-CD1 4.32Å; S822-L826 PolarHBondContact O-N 2.8Å; S822-L826 VanDerWaalsContact O-N 3.09Å; S823-L826 PolarHBondContact O-N 2.88Å; S824-L826 PolarHBondContact O-N 3.41Å; L826-Y828 VanDerWaalsContact C-N 3.28Å; L826-Y828 PolarHBondContact O-N 3.38Å; L826-N829 PolarHBondContact O-N 2.94Å; L826-L830 WeakPolarHBondContact O-CB 3.43Å; L826-L830 PolarHBondContact O-N 2.99Å
827A90.1Very high88.3Confident20 Ų2030.3 Ų30.317%0.16517%0.167CC..Hα-helixtrans-60.8-38.3178.600000112S823 S824 L830 A831 A850S823-A827 PolarHBondContact O-N 2.56Å; S824-A827 PolarHBondContact O-N 3Å; A827-L830 PolarHBondContact O-N 3.28Å; A827-A831 WeakPolarHBondContact O-CB 3.21Å; A827-A831 PolarHBondContact O-N 2.85Å; A827-A850 HydrophobicContact CB-CB 3.84Å
828Y93.8Very high89.3Confident30 Ų3035.2 Ų35.212%0.11818%0.183CC..Hα-helixtrans-61.2-50.4172.7168.8-104.1000112.3S824 L825 L826 L830 A831 V832 L847 L854 T888 V889 L892S824-Y828 WeakPolarHBondContact O-CB 3.33Å; S824-Y828 PolarHBondContact O-N 3.27Å; L825-Y828 HydrophobicContact CD1-CD1 4.41Å; L826-Y828 VanDerWaalsContact C-N 3.28Å; L826-Y828 PolarHBondContact O-N 3.38Å; Y828-L830 VanDerWaalsContact C-N 3.28Å; Y828-L830 PolarHBondContact O-N 3.35Å; Y828-A831 WeakPolarHBondContact O-CB 3.29Å; Y828-A831 PolarHBondContact O-N 3.45Å; Y828-A831 VanDerWaalsContact O-N 3.13Å; Y828-V832 HydrophobicContact CD2-CG2 4.48Å; Y828-V832 HydrophobicContact CE1-CG2 4.04Å; Y828-V832 HydrophobicContact CE2-CG2 3.95Å; Y828-V832 WeakPolarHBondContact O-CG2 3.45Å; Y828-V832 PolarHBondContact O-N 2.82Å; Y828-L847 HydrophobicContact CD2-CD1 3.76Å; Y828-L847 HydrophobicContact CE2-CD1 4.31Å; Y828-L854 HydrophobicContact CD2-CD1 4.26Å; Y828-L854 HydrophobicContact CG-CD1 4.2Å; Y828-T888 WeakPolarHBondContact OH-CB 3.48Å; Y828-V889 HydrophobicContact CD2-CG2 3.53Å; Y828-V889 HydrophobicContact CE2-CB 4.24Å; Y828-V889 HydrophobicContact CE2-CG2 3.4Å; Y828-V889 HydrophobicContact CG-CG2 4.25Å; Y828-L892 HydrophobicContact CD2-CD2 4.26Å; Y828-L892 HydrophobicContact CE2-CD2 3.78Å
829N93.5Very high90.2Very high42 Ų4236.8 Ų36.823%0.22519%0.188CC..Hα-helixtrans-63.3-36.5178.8-76.4-58.9000111.6L724 L743 L825 L826 V832 T833L724-N829 HydrophobicContact CD2-CB 4.45Å; L743-N829 HydrophobicContact CD1-CB 3.97Å; L743-N829 HydrophobicContact CD2-CB 4.46Å; L825-N829 PolarHBondContact O-N 3.2Å; L825-N829 VanDerWaalsContact O-N 3.08Å; L825-N829 PolarHBondContact O-ND2 2.88Å; L826-N829 PolarHBondContact O-N 2.94Å; N829-V832 WeakPolarHBondContact O-CB 2.86Å; N829-V832 PolarHBondContact O-N 2.63Å; N829-T833 PolarHBondContact O-N 3.27Å
830L93Very high91.2Very high8 Ų837.1 Ų37.14%0.04219%0.186CC..Hα-helixtrans-62.2-46.6172.2179.859000111.1T740 L743 Q744 L826 A827 Y828 V832 T833 L834 Y846T740-L830 HydrophobicContact CG2-CD1 3.81Å; L743-L830 HydrophobicContact CB-CB 4.27Å; L743-L830 HydrophobicContact CB-CD1 4.12Å; Q744-L830 HydrophobicContact CG-CD1 3.77Å; Q744-L830 HydrophobicContact CG-CD2 4.31Å; L826-L830 WeakPolarHBondContact O-CB 3.43Å; L826-L830 PolarHBondContact O-N 2.99Å; A827-L830 PolarHBondContact O-N 3.28Å; Y828-L830 VanDerWaalsContact C-N 3.28Å; Y828-L830 PolarHBondContact O-N 3.35Å; L830-V832 VanDerWaalsContact C-N 3.25Å; L830-V832 PolarHBondContact O-N 3.41Å; L830-T833 PolarHBondContact O-N 3.15Å; L830-T833 VanDerWaalsContact O-N 3.13Å; L830-T833 PolarHBondContact O-OG1 3.22Å; L830-L834 HydrophobicContact CD1-CD1 4.36Å; L830-L834 HydrophobicContact CD1-CG 4.29Å; L830-L834 HydrophobicContact CG-CD1 4.09Å; L830-L834 HydrophobicContact CG-CG 4.48Å; L830-L834 WeakPolarHBondContact O-CG 3.3Å; L830-L834 PolarHBondContact O-N 2.87Å; L830-Y846 HydrophobicContact CD2-CD1 3.73Å; L830-Y846 HydrophobicContact CD2-CD2 4.38Å; L830-Y846 HydrophobicContact CD2-CE1 3.48Å; L830-Y846 VanDerWaalsContact CD2-CE1 3.48Å; L830-Y846 HydrophobicContact CD2-CE2 4.16Å; L830-Y846 HydrophobicContact CD2-CG 4.18Å; L830-Y846 HydrophobicContact CG-CD1 4.43Å; L830-Y846 HydrophobicContact CG-CG 4.47Å
831A94.4Very high91.8Very high0 Ų035.5 Ų35.50%019%0.185CC..Hα-helixtrans-56.6-38.8175.200000112.3A827 Y828 L834 A835 S843 L847 L892A827-A831 WeakPolarHBondContact O-CB 3.21Å; A827-A831 PolarHBondContact O-N 2.85Å; Y828-A831 WeakPolarHBondContact O-CB 3.29Å; Y828-A831 PolarHBondContact O-N 3.45Å; Y828-A831 VanDerWaalsContact O-N 3.13Å; A831-L834 PolarHBondContact O-N 3.36Å; A831-A835 WeakPolarHBondContact O-CB 3.3Å; A831-A835 PolarHBondContact O-N 3.2Å; A831-S843 WeakPolarHBondContact CB-O 3.31Å; A831-S843 WeakPolarHBondContact O-CB 3.32Å; A831-S843 PolarHBondContact O-OG 3.34Å; A831-L847 HydrophobicContact CB-CB 4.01Å; A831-L892 HydrophobicContact CB-CD2 4.47Å
832V95.3Very high92.2Very high40 Ų4037.3 Ų37.324%0.24220%0.195CC..Hα-helixtrans-61.8-50.9174.1173.90000110.9Y828 N829 L830 L834 A835 I836 L892Y828-V832 HydrophobicContact CD2-CG2 4.48Å; Y828-V832 HydrophobicContact CE1-CG2 4.04Å; Y828-V832 HydrophobicContact CE2-CG2 3.95Å; Y828-V832 WeakPolarHBondContact O-CG2 3.45Å; Y828-V832 PolarHBondContact O-N 2.82Å; N829-V832 WeakPolarHBondContact O-CB 2.86Å; N829-V832 PolarHBondContact O-N 2.63Å; L830-V832 VanDerWaalsContact C-N 3.25Å; L830-V832 PolarHBondContact O-N 3.41Å; V832-L834 VanDerWaalsContact C-N 3.29Å; V832-L834 PolarHBondContact O-N 3.49Å; V832-A835 WeakPolarHBondContact O-CB 3.31Å; V832-A835 PolarHBondContact O-N 3.03Å; V832-A835 VanDerWaalsContact O-N 3.11Å; V832-I836 HydrophobicContact CG1-CD1 4.13Å; V832-I836 WeakPolarHBondContact O-CG1 3.15Å; V832-I836 PolarHBondContact O-N 3.1Å; V832-L892 HydrophobicContact CG2-CD2 3.79Å
833T94.6Very high92.8Very high4 Ų437.3 Ų37.33%0.02520%0.195CC..Hα-helixtrans-60-39.7179.264.90000112.5T731 A739 T740 L743 N829 L830 A835 I836 Q837T731-T833 HydrophobicContact CG2-CG2 3.85Å; A739-T833 HydrophobicContact CB-CG2 4.18Å; T740-T833 VanDerWaalsContact OG1-CB 3.28Å; T740-T833 WeakPolarHBondContact OG1-CB 3.49Å; T740-T833 PolarHBondContact OG1-OG1 3.36Å; T740-T833 VanDerWaalsContact OG1-OG1 3.08Å; L743-T833 HydrophobicContact CD1-CG2 3.76Å; N829-T833 PolarHBondContact O-N 3.27Å; L830-T833 PolarHBondContact O-N 3.15Å; L830-T833 VanDerWaalsContact O-N 3.13Å; L830-T833 PolarHBondContact O-OG1 3.22Å; T833-A835 PolarHBondContact O-N 3.45Å; T833-I836 WeakPolarHBondContact O-CB 3.41Å; T833-I836 PolarHBondContact O-N 2.81Å; T833-Q837 PolarHBondContact O-N 3.44Å
834L94.8Very high93.3Very high0 Ų039.4 Ų39.40%020%0.201CC..Hα-helixtrans-66.2-35.9176-67.6172.7000112.5T740 L830 A831 V832 I836 Q837 K838 Q839 L842 Y846T740-L834 HydrophobicContact CG2-CD2 4.06Å; L830-L834 HydrophobicContact CD1-CD1 4.36Å; L830-L834 HydrophobicContact CD1-CG 4.29Å; L830-L834 HydrophobicContact CG-CD1 4.09Å; L830-L834 HydrophobicContact CG-CG 4.48Å; L830-L834 WeakPolarHBondContact O-CG 3.3Å; L830-L834 PolarHBondContact O-N 2.87Å; A831-L834 PolarHBondContact O-N 3.36Å; V832-L834 VanDerWaalsContact C-N 3.29Å; V832-L834 PolarHBondContact O-N 3.49Å; L834-I836 VanDerWaalsContact C-N 3.34Å; L834-Q837 CarbonylContact O-C 3.35Å; L834-Q837 PolarHBondContact O-N 2.97Å; L834-K838 PolarHBondContact O-N 2.7Å; L834-Q839 HydrophobicContact CB-CB 4.45Å; L834-Q839 PolarHBondContact O-N 2.8Å; L834-L842 HydrophobicContact CD1-CB 4.44Å; L834-L842 HydrophobicContact CD1-CD2 3.98Å; L834-L842 HydrophobicContact CD1-CG 3.87Å; L834-L842 HydrophobicContact CD2-CD2 4.01Å; L834-Y846 HydrophobicContact CD1-CD2 3.5Å; L834-Y846 VanDerWaalsContact CD1-CD2 3.5Å; L834-Y846 HydrophobicContact CD1-CE2 3.94Å; L834-Y846 HydrophobicContact CD1-CG 4.31Å
835A95.1Very high93.5Very high5 Ų544.6 Ų44.64%0.04123%0.225CC..Hα-helixtrans-65.1-38.7174.600000111.6A831 V832 T833 K838 S843 L892 Y895 L896A831-A835 WeakPolarHBondContact O-CB 3.3Å; A831-A835 PolarHBondContact O-N 3.2Å; V832-A835 WeakPolarHBondContact O-CB 3.31Å; V832-A835 PolarHBondContact O-N 3.03Å; V832-A835 VanDerWaalsContact O-N 3.11Å; T833-A835 PolarHBondContact O-N 3.45Å; A835-K838 WeakPolarHBondContact O-CA 3.44Å; A835-K838 PolarHBondContact O-N 2.99Å; A835-S843 WeakPolarHBondContact CB-OG 3.32Å; A835-L892 HydrophobicContact CB-CD1 4.01Å; A835-Y895 HydrophobicContact CB-CE1 4.34Å; A835-L896 HydrophobicContact CB-CD2 4.24Å
836I94Very high93.6Very high86 Ų8645.4 Ų45.444%0.44123%0.226SC..Hα-helixtrans-64.9-42.2175.1-62.8167.1000110.2T731 V736 V832 T833 L834 K838T731-I836 HydrophobicContact CG2-CD1 4.47Å; V736-I836 HydrophobicContact CG1-CB 4.26Å; V736-I836 HydrophobicContact CG1-CG2 4.18Å; V736-I836 HydrophobicContact CG2-CG2 3.82Å; V832-I836 HydrophobicContact CG1-CD1 4.13Å; V832-I836 WeakPolarHBondContact O-CG1 3.15Å; V832-I836 PolarHBondContact O-N 3.1Å; T833-I836 WeakPolarHBondContact O-CB 3.41Å; T833-I836 PolarHBondContact O-N 2.81Å; L834-I836 VanDerWaalsContact C-N 3.34Å; I836-K838 PolarHBondContact O-N 3.24Å; I836-K838 VanDerWaalsContact O-N 3.07Å
837Q94.1Very high93.9Very high52 Ų5245 Ų4524%0.24322%0.224CC..THydrogen-bonded Turntrans-69.44171.7-70.6174.1-29.100114.1V736 D737 T740 T833 L834 Q839V736-Q837 HydrophobicContact CB-CG 4.39Å; V736-Q837 HydrophobicContact CG1-CG 3.76Å; D737-Q837 PolarHBondContact OD1-NE2 3.2Å; T740-Q837 PolarHBondContact OG1-NE2 3.18Å; T740-Q837 PolarHBondContact OG1-OE1 3.05Å; T833-Q837 PolarHBondContact O-N 3.44Å; L834-Q837 CarbonylContact O-C 3.35Å; L834-Q837 PolarHBondContact O-N 2.97Å; Q837-Q839 HydrophobicContact CB-CG 4.36Å; Q837-Q839 PolarHBondContact O-N 3.35Å
838K94.6Very high93.9Very high149 Ų14947.3 Ų47.365%0.64823%0.233SC*.THydrogen-bonded Turntrans61.919.8-179.2-51.2178.8-179.41730114.5L834 A835 I836 Y840L834-K838 PolarHBondContact O-N 2.7Å; A835-K838 WeakPolarHBondContact O-CA 3.44Å; A835-K838 PolarHBondContact O-N 2.99Å; I836-K838 PolarHBondContact O-N 3.24Å; I836-K838 VanDerWaalsContact O-N 3.07Å; K838-Y840 HydrophobicContact CB-CE1 4.4Å; K838-Y840 HydrophobicContact CB-CE2 4.03Å; K838-Y840 WeakPolarHBondContact O-CD2 3.41Å; K838-Y840 PolarHBondContact O-N 2.92Å
839Q94.1Very high93.7Very high91 Ų9151.8 Ų51.843%0.42526%0.258SS..  trans-85.262.8173-61.8-170.7400110.3L834 Q837 S841 L842 S843L834-Q839 HydrophobicContact CB-CB 4.45Å; L834-Q839 PolarHBondContact O-N 2.8Å; Q837-Q839 HydrophobicContact CB-CG 4.36Å; Q837-Q839 PolarHBondContact O-N 3.35Å; Q839-S841 PolarHBondContact O-N 3.46Å; Q839-L842 HydrophobicContact CB-CB 4.4Å; Q839-L842 PolarHBondContact O-N 2.74Å; Q839-S843 WeakPolarHBondContact O-CB 3.42Å; Q839-S843 PolarHBondContact O-N 2.91Å
840Y96.1Very high93.6Very high47 Ų4749.8 Ų49.818%0.18425%0.248CC..Hα-helixtrans-60.5-39.6-167.8-54.7-59000114.1K838 S843 K844 Y895 L896 H899K838-Y840 HydrophobicContact CB-CE1 4.4Å; K838-Y840 HydrophobicContact CB-CE2 4.03Å; K838-Y840 WeakPolarHBondContact O-CD2 3.41Å; K838-Y840 PolarHBondContact O-N 2.92Å; Y840-S843 PolarHBondContact O-N 3.15Å; Y840-K844 WeakPolarHBondContact O-CB 3.48Å; Y840-K844 PolarHBondContact O-N 2.93Å; Y840-Y895 HydrophobicContact CD1-CE1 4.41Å; Y840-Y895 AromaticContact CE1-CE1 3.96Å; Y840-Y895 HydrophobicContact CE1-CE1 3.96Å; Y840-L896 HydrophobicContact CD1-CD2 3.99Å; Y840-H899 HydrophobicContact CD1-CB 4.04Å; Y840-H899 HydrophobicContact CD2-CB 4.15Å; Y840-H899 HydrophobicContact CE1-CB 4.13Å; Y840-H899 AromaticContact CE1-CG 3.94Å; Y840-H899 HydrophobicContact CE2-CB 4.24Å; Y840-H899 AromaticContact CE2-ND1 3.99Å; Y840-H899 HydrophobicContact CG-CB 4.04Å; Y840-H899 AromaticContact CZ-CG 3.89Å; Y840-H899 AromaticContact CZ-ND1 3.66Å
841S93.5Very high93.5Very high81 Ų8150.3 Ų50.357%0.56625%0.25SS*.Hα-helixtrans-65.4-43.8179.6-52.50000112Q839 K844 Q845Q839-S841 PolarHBondContact O-N 3.46Å; S841-K844 PolarHBondContact O-N 3.38Å; S841-Q845 WeakPolarHBondContact O-CG 3.25Å; S841-Q845 PolarHBondContact O-N 3.16Å; S841-Q845 VanDerWaalsContact O-N 3.15Å
842L93Very high93.1Very high57 Ų5754.8 Ų54.830%0.29828%0.279SS..Hα-helixtrans-71-40.7178.5-169.964.4000110.9L834 Q839 K844 Q845 Y846L834-L842 HydrophobicContact CD1-CB 4.44Å; L834-L842 HydrophobicContact CD1-CD2 3.98Å; L834-L842 HydrophobicContact CD1-CG 3.87Å; L834-L842 HydrophobicContact CD2-CD2 4.01Å; Q839-L842 HydrophobicContact CB-CB 4.4Å; Q839-L842 PolarHBondContact O-N 2.74Å; L842-K844 VanDerWaalsContact C-N 3.31Å; L842-K844 PolarHBondContact O-N 3.48Å; L842-Q845 WeakPolarHBondContact O-CB 3.17Å; L842-Q845 PolarHBondContact O-N 3.11Å; L842-Y846 HydrophobicContact CD1-CD2 4.18Å; L842-Y846 HydrophobicContact CD1-CE2 3.85Å; L842-Y846 HydrophobicContact CD2-CE2 4.38Å; L842-Y846 HydrophobicContact CG-CD2 4Å; L842-Y846 HydrophobicContact CG-CE2 3.91Å; L842-Y846 WeakPolarHBondContact O-CD2 3.43Å; L842-Y846 PolarHBondContact O-N 2.85Å
843S94.6Very high92.6Very high0 Ų053 Ų530%027%0.27CS..Hα-helixtrans-55.1-46.3172.4176.70000111.6A831 A835 Q839 Y840 Q845 Y846 L847A831-S843 WeakPolarHBondContact CB-O 3.31Å; A831-S843 WeakPolarHBondContact O-CB 3.32Å; A831-S843 PolarHBondContact O-OG 3.34Å; A835-S843 WeakPolarHBondContact CB-OG 3.32Å; Q839-S843 WeakPolarHBondContact O-CB 3.42Å; Q839-S843 PolarHBondContact O-N 2.91Å; Y840-S843 PolarHBondContact O-N 3.15Å; S843-Q845 PolarHBondContact O-N 2.83Å; S843-Y846 PolarHBondContact O-N 2.66Å; S843-L847 WeakPolarHBondContact O-CB 3.26Å; S843-L847 PolarHBondContact O-N 3Å
844K94.1Very high92.4Very high64 Ų6453 Ų5328%0.27827%0.269SS..Hα-helixtrans-60.6-44.3175.8-179175.1175.2-1790112.2Y840 S841 L842 Y846 L847 D848 L896 L900Y840-K844 WeakPolarHBondContact O-CB 3.48Å; Y840-K844 PolarHBondContact O-N 2.93Å; S841-K844 PolarHBondContact O-N 3.38Å; L842-K844 VanDerWaalsContact C-N 3.31Å; L842-K844 PolarHBondContact O-N 3.48Å; K844-Y846 PolarHBondContact O-N 2.93Å; K844-L847 PolarHBondContact O-N 3.29Å; K844-D848 WeakPolarHBondContact O-CB 3.23Å; K844-D848 VanDerWaalsContact O-CG 3.3Å; K844-D848 PolarHBondContact O-N 3.29Å; K844-L896 HydrophobicContact CB-CD1 4.21Å; K844-L900 HydrophobicContact CB-CD1 4.01Å; K844-L900 HydrophobicContact CD-CD1 3.43Å; K844-L900 VanDerWaalsContact CD-CD1 3.43Å; K844-L900 HydrophobicContact CG-CD1 4.31Å
845Q92.6Very high92.1Very high118 Ų11856 Ų5655%0.55128%0.283SS*.Hα-helixtrans-58.9-47.7177.9-72.1175-13.400112.2S841 L842 S843 L847 D848 L849S841-Q845 WeakPolarHBondContact O-CG 3.25Å; S841-Q845 PolarHBondContact O-N 3.16Å; S841-Q845 VanDerWaalsContact O-N 3.15Å; L842-Q845 WeakPolarHBondContact O-CB 3.17Å; L842-Q845 PolarHBondContact O-N 3.11Å; S843-Q845 PolarHBondContact O-N 2.83Å; Q845-L847 VanDerWaalsContact C-N 3.34Å; Q845-D848 PolarHBondContact O-N 3.02Å; Q845-L849 VanDerWaalsContact O-CG 3.32Å; Q845-L849 WeakPolarHBondContact O-CG 3.43Å; Q845-L849 PolarHBondContact O-N 3.3Å; Q845-L849 VanDerWaalsContact O-N 3.08Å
846Y91.8Very high91.4Very high50 Ų5055.9 Ų55.920%0.19628%0.281CS..Hα-helixtrans-66.7-35.5176.6-83.5-77.2000112.9L830 L834 L842 S843 K844 L849 A850L830-Y846 HydrophobicContact CD2-CD1 3.73Å; L830-Y846 HydrophobicContact CD2-CD2 4.38Å; L830-Y846 HydrophobicContact CD2-CE1 3.48Å; L830-Y846 VanDerWaalsContact CD2-CE1 3.48Å; L830-Y846 HydrophobicContact CD2-CE2 4.16Å; L830-Y846 HydrophobicContact CD2-CG 4.18Å; L830-Y846 HydrophobicContact CG-CD1 4.43Å; L830-Y846 HydrophobicContact CG-CG 4.47Å; L834-Y846 HydrophobicContact CD1-CD2 3.5Å; L834-Y846 VanDerWaalsContact CD1-CD2 3.5Å; L834-Y846 HydrophobicContact CD1-CE2 3.94Å; L834-Y846 HydrophobicContact CD1-CG 4.31Å; L842-Y846 HydrophobicContact CD1-CD2 4.18Å; L842-Y846 HydrophobicContact CD1-CE2 3.85Å; L842-Y846 HydrophobicContact CD2-CE2 4.38Å; L842-Y846 HydrophobicContact CG-CD2 4Å; L842-Y846 HydrophobicContact CG-CE2 3.91Å; L842-Y846 WeakPolarHBondContact O-CD2 3.43Å; L842-Y846 PolarHBondContact O-N 2.85Å; S843-Y846 PolarHBondContact O-N 2.66Å; K844-Y846 PolarHBondContact O-N 2.93Å; Y846-L849 HydrophobicContact CD1-CD1 4.5Å; Y846-L849 PolarHBondContact O-N 3.21Å; Y846-A850 WeakPolarHBondContact O-CB 3.48Å; Y846-A850 PolarHBondContact O-N 3.11Å
847L93.7Very high90.6Very high2 Ų252 Ų521%0.0126%0.261CS..Hα-helixtrans-64.3-46.3175.7-174.757.3000111.3Y828 A831 S843 K844 Q845 L849 A850 L851 V889 L892 R893 L896Y828-L847 HydrophobicContact CD2-CD1 3.76Å; Y828-L847 HydrophobicContact CE2-CD1 4.31Å; A831-L847 HydrophobicContact CB-CB 4.01Å; S843-L847 WeakPolarHBondContact O-CB 3.26Å; S843-L847 PolarHBondContact O-N 3Å; K844-L847 PolarHBondContact O-N 3.29Å; Q845-L847 VanDerWaalsContact C-N 3.34Å; L847-L849 VanDerWaalsContact C-N 3.29Å; L847-L849 PolarHBondContact O-N 2.82Å; L847-A850 WeakPolarHBondContact O-CB 3.36Å; L847-A850 PolarHBondContact O-N 3.12Å; L847-L851 WeakPolarHBondContact O-CG 3.45Å; L847-L851 PolarHBondContact O-N 3.27Å; L847-L851 VanDerWaalsContact O-N 3.12Å; L847-V889 HydrophobicContact CD1-CG1 4.19Å; L847-L892 HydrophobicContact CD1-CD2 3.97Å; L847-L892 HydrophobicContact CD2-CB 4.34Å; L847-L892 HydrophobicContact CD2-CD2 3.87Å; L847-L892 HydrophobicContact CD2-CG 3.86Å; L847-L892 HydrophobicContact CG-CD2 4.47Å; L847-R893 HydrophobicContact CD2-CB 4.45Å; L847-R893 HydrophobicContact CD2-CG 3.56Å; L847-R893 HydrophobicContact CG-CG 4.3Å; L847-L896 HydrophobicContact CB-CD1 4.5Å; L847-L896 HydrophobicContact CD2-CD1 3.69Å
848D91.1Very high89.5Confident68 Ų6850.6 Ų50.636%0.36426%0.259SS..Hα-helixtrans-61.8-37.7178.1-70.8-24.1000111.2K844 Q845 A850 L851K844-D848 WeakPolarHBondContact O-CB 3.23Å; K844-D848 VanDerWaalsContact O-CG 3.3Å; K844-D848 PolarHBondContact O-N 3.29Å; Q845-D848 PolarHBondContact O-N 3.02Å; D848-A850 VanDerWaalsContact C-N 3.31Å; D848-A850 PolarHBondContact O-N 2.98Å; D848-L851 PolarHBondContact O-N 2.93Å
849L89.7Confident88.1Confident123 Ų12346.6 Ų46.664%0.64425%0.245SC*.Hα-helixtrans-64.3-32.5171.9-71.8172.2000113.2Q845 Y846 L847 P852Q845-L849 VanDerWaalsContact O-CG 3.32Å; Q845-L849 WeakPolarHBondContact O-CG 3.43Å; Q845-L849 PolarHBondContact O-N 3.3Å; Q845-L849 VanDerWaalsContact O-N 3.08Å; Y846-L849 HydrophobicContact CD1-CD1 4.5Å; Y846-L849 PolarHBondContact O-N 3.21Å; L847-L849 VanDerWaalsContact C-N 3.29Å; L847-L849 PolarHBondContact O-N 2.82Å; L849-P852 WeakPolarHBondContact O-CD 3.12Å
850A91.1Very high86.9Confident0 Ų044.8 Ų44.80%024%0.237CC..Hα-helixtrans-77.3-28-179.900000113.1S824 A827 Y846 L847 D848 P852 G853 L854S824-A850 WeakPolarHBondContact CB-O 3.31Å; S824-A850 WeakPolarHBondContact O-CB 3.5Å; S824-A850 PolarHBondContact OG-O 3.48Å; A827-A850 HydrophobicContact CB-CB 3.84Å; Y846-A850 WeakPolarHBondContact O-CB 3.48Å; Y846-A850 PolarHBondContact O-N 3.11Å; L847-A850 WeakPolarHBondContact O-CB 3.36Å; L847-A850 PolarHBondContact O-N 3.12Å; D848-A850 VanDerWaalsContact C-N 3.31Å; D848-A850 PolarHBondContact O-N 2.98Å; A850-P852 VanDerWaalsContact C-CD 3.44Å; A850-G853 PolarHBondContact O-N 3.26Å; A850-L854 HydrophobicContact CB-CD1 3.97Å; A850-L854 WeakPolarHBondContact O-CG 3.48Å; A850-L854 PolarHBondContact O-N 3.4Å
851L91Very high85.6Confident19 Ų1944.4 Ų44.410%0.09924%0.237CC..Hα-helixtrans-52.3-45.8-171.2-64.5179.6000114.8L847 D848 G853 L854 F855 L885 V889L847-L851 WeakPolarHBondContact O-CG 3.45Å; L847-L851 PolarHBondContact O-N 3.27Å; L847-L851 VanDerWaalsContact O-N 3.12Å; D848-L851 PolarHBondContact O-N 2.93Å; L851-G853 VanDerWaalsContact C-N 3.27Å; L851-G853 PolarHBondContact O-N 3.48Å; L851-L854 PolarHBondContact O-N 2.97Å; L851-F855 HydrophobicContact CB-CE2 4.01Å; L851-F855 WeakPolarHBondContact O-CD2 3.19Å; L851-F855 PolarHBondContact O-N 3.39Å; L851-L885 HydrophobicContact CD2-CD1 4.18Å; L851-L885 HydrophobicContact CD2-CD2 4.05Å; L851-V889 HydrophobicContact CD2-CG1 3.71Å
852P86.3Confident83.9Confident94 Ų9445.6 Ų45.661%0.6124%0.237SC*.Hα-helixtrans-56.6-36.1-174.6-26.836.4000114.4L849 A850L849-P852 WeakPolarHBondContact O-CD 3.12Å; A850-P852 VanDerWaalsContact C-CD 3.44Å
853G85.1Confident82.1Confident4 Ų444.7 Ų44.74%0.04124%0.242CC..Hα-helixtrans-93.30.5177.600000114.9Q821 S824 A850 L851Q821-G853 VanDerWaalsContact CG-O 3.3Å; Q821-G853 WeakPolarHBondContact CG-O 3.22Å; S824-G853 WeakPolarHBondContact OG-CA 3.31Å; S824-G853 PolarHBondContact OG-N 2.85Å; A850-G853 PolarHBondContact O-N 3.26Å; L851-G853 VanDerWaalsContact C-N 3.27Å; L851-G853 PolarHBondContact O-N 3.48Å
854L89.7Confident79.6Confident3 Ų354.2 Ų54.22%0.01628%0.278CS..Hα-helixtrans-96.6-11.7173-60.8175000112.7W546 F815 Y828 A850 L851 L885 V889W546-L854 WeakPolarHBondContact CZ2-O 3.49Å; W546-L854 PolarHBondContact NE1-O 2.83Å; F815-L854 HydrophobicContact CZ-CD2 3.94Å; Y828-L854 HydrophobicContact CD2-CD1 4.26Å; Y828-L854 HydrophobicContact CG-CD1 4.2Å; A850-L854 HydrophobicContact CB-CD1 3.97Å; A850-L854 WeakPolarHBondContact O-CG 3.48Å; A850-L854 PolarHBondContact O-N 3.4Å; L851-L854 PolarHBondContact O-N 2.97Å; L854-L885 HydrophobicContact CB-CD2 3.99Å; L854-V889 HydrophobicContact CD1-CG1 4.46Å; L854-V889 HydrophobicContact CD1-CG2 3.57Å
855F87.9Confident76.8Confident64 Ų6456.5 Ų56.528%0.28129%0.288SS..  trans-73.3133.9175.6-77.5-70.2000111.6L851 L883 L884 L885L851-F855 HydrophobicContact CB-CE2 4.01Å; L851-F855 WeakPolarHBondContact O-CD2 3.19Å; L851-F855 PolarHBondContact O-N 3.39Å; F855-L883 HydrophobicContact CB-CB 4.15Å; F855-L883 HydrophobicContact CB-CD2 4.27Å; F855-L883 HydrophobicContact CD1-CB 3.5Å; F855-L883 VanDerWaalsContact CD1-CB 3.5Å; F855-L883 HydrophobicContact CE1-CB 4.1Å; F855-L883 HydrophobicContact CG-CB 4.04Å; F855-L884 WeakPolarHBondContact CA-O 3.36Å; F855-L885 HydrophobicContact CD1-CD2 3.82Å; F855-L885 HydrophobicContact CD1-CG 3.71Å; F855-L885 HydrophobicContact CD2-CD2 4.27Å; F855-L885 HydrophobicContact CE1-CD1 3.73Å; F855-L885 HydrophobicContact CE1-CD2 3.81Å; F855-L885 HydrophobicContact CE1-CG 3.39Å; F855-L885 HydrophobicContact CE2-CD2 4.21Å; F855-L885 HydrophobicContact CG-CD2 4.08Å; F855-L885 HydrophobicContact CG-CG 4.47Å; F855-L885 HydrophobicContact CZ-CD1 3.79Å; F855-L885 HydrophobicContact CZ-CD2 4Å; F855-L885 HydrophobicContact CZ-CG 3.85Å
856I82.2Confident74Confident1 Ų157.2 Ų57.21%0.00529%0.286CS..EExtended strand (participates in β ladder)trans-127.4139.6171.8-60.9178.1000107.8L543 W546 F815 E860 L884L543-I856 HydrophobicContact CD1-CD1 4.47Å; L543-I856 HydrophobicContact CD2-CD1 3.32Å; W546-I856 HydrophobicContact CD2-CD1 3.86Å; W546-I856 HydrophobicContact CE3-CD1 4.48Å; W546-I856 HydrophobicContact CG-CD1 4.15Å; W546-I856 HydrophobicContact CZ2-CD1 3.88Å; W546-I856 HydrophobicContact CZ2-CG1 4.43Å; F815-I856 HydrophobicContact CD2-CD1 3.78Å; F815-I856 HydrophobicContact CD2-CG1 4.48Å; F815-I856 HydrophobicContact CE2-CD1 4.27Å; I856-E860 HydrophobicContact CG2-CB 3.66Å; I856-L884 PolarHBondContact N-O 2.72Å; I856-L884 PolarHBondContact O-N 3.23Å
857S76.8Confident71Confident4 Ų462 Ų623%0.02830%0.304CS..EExtended strand (participates in β ladder)trans-71.7145.6176.467.80000111.4N859 E860 L861S857-N859 PolarHBondContact O-N 3.47Å; S857-N859 VanDerWaalsContact O-N 3.13Å; S857-E860 PolarHBondContact N-OE2 3.29Å; S857-E860 WeakPolarHBondContact O-CB 3.48Å; S857-E860 PolarHBondContact O-N 3.43Å; S857-E860 WeakPolarHBondContact OG-CB 3.31Å; S857-E860 VanDerWaalsContact OG-CG 3.32Å; S857-E860 WeakPolarHBondContact OG-CG 3.36Å; S857-E860 PolarHBondContact OG-N 2.99Å; S857-E860 PolarHBondContact OG-OE1 3.33Å; S857-E860 PolarHBondContact OG-OE2 2.98Å; S857-L861 PolarHBondContact O-N 3.24Å; S857-L861 VanDerWaalsContact O-N 3.1Å
858A70.5Confident67.9Low24 Ų2469 Ų6920%0.19834%0.34CS..Hα-helixtrans-52.9-35173.100000112.7E860 L861 D862 Q882 L884A858-E860 PolarHBondContact O-N 3.12Å; A858-L861 PolarHBondContact O-N 3.34Å; A858-D862 PolarHBondContact O-N 2.99Å; A858-Q882 PolarHBondContact N-O 3.07Å; A858-Q882 VanDerWaalsContact N-O 3.15Å; A858-L884 HydrophobicContact CB-CD1 4.04Å
859N66.3Low64.7Low64 Ų6473.3 Ų73.334%0.34236%0.358SS..Hα-helixtrans-68.3-31.1177.4-64.1-15000113.7S857 G863 R864 K865 C881S857-N859 PolarHBondContact O-N 3.47Å; S857-N859 VanDerWaalsContact O-N 3.13Å; N859-G863 PolarHBondContact O-N 3.01Å; N859-R864 PolarHBondContact O-N 3.25Å; N859-K865 HydrophobicContact CB-CG 4.1Å; N859-K865 PolarHBondContact O-N 3.46Å; N859-C881 PolarHBondContact ND2-SG 3.39Å; N859-C881 VanDerWaalsContact ND2-SG 3.4Å
860E67.2Low61.7Low54 Ų5476.2 Ų76.225%0.25237%0.368SS..Hα-helixtrans-72.3-39.8172.6-84.2145.1-153.500111V813 I856 S857 A858 G863 K865V813-E860 HydrophobicContact CG2-CB 4.19Å; V813-E860 HydrophobicContact CG2-CG 4.45Å; I856-E860 HydrophobicContact CG2-CB 3.66Å; S857-E860 PolarHBondContact N-OE2 3.29Å; S857-E860 WeakPolarHBondContact O-CB 3.48Å; S857-E860 PolarHBondContact O-N 3.43Å; S857-E860 WeakPolarHBondContact OG-CB 3.31Å; S857-E860 VanDerWaalsContact OG-CG 3.32Å; S857-E860 WeakPolarHBondContact OG-CG 3.36Å; S857-E860 PolarHBondContact OG-N 2.99Å; S857-E860 PolarHBondContact OG-OE1 3.33Å; S857-E860 PolarHBondContact OG-OE2 2.98Å; A858-E860 PolarHBondContact O-N 3.12Å; E860-G863 PolarHBondContact O-N 3.25Å; E860-K865 HydrophobicContact CG-CD 4.15Å; E860-K865 IonicContact OE1-NZ 3.04Å; E860-K865 PolarHBondContact OE1-NZ 3.46Å
861L68.7Low58.6Low39 Ų3980.7 Ų80.720%0.20440%0.398CS..Hα-helixtrans-63.6-42.5177-172.667.1000112.1L543 W546 S857 A858 G863 L884L543-L861 HydrophobicContact CB-CD1 3.66Å; L543-L861 HydrophobicContact CD1-CD1 3.95Å; L543-L861 HydrophobicContact CG-CD1 4.43Å; W546-L861 HydrophobicContact CB-CD1 3.92Å; W546-L861 HydrophobicContact CB-CD2 4.19Å; S857-L861 PolarHBondContact O-N 3.24Å; S857-L861 VanDerWaalsContact O-N 3.1Å; A858-L861 PolarHBondContact O-N 3.34Å; L861-G863 PolarHBondContact O-N 3.34Å; L861-L884 HydrophobicContact CD2-CD1 3.77Å
862D59.3Low55.5Low106 Ų10683.9 Ų83.957%0.56742%0.422SS*.THydrogen-bonded Turntrans-74.9-3.4178.1-73.5-13.9000113.5A858 R864A858-D862 PolarHBondContact O-N 2.99Å; D862-R864 HydrophobicContact CB-CG 4.48Å; D862-R864 PolarHBondContact O-N 3.38Å
863G55.2Low53Low38 Ų3889.6 Ų89.639%0.39244%0.437SS..THydrogen-bonded Turntrans68.215.5-177.500000114.8N859 E860 L861 W866N859-G863 PolarHBondContact O-N 3.01Å; E860-G863 PolarHBondContact O-N 3.25Å; L861-G863 PolarHBondContact O-N 3.34Å; G863-W866 PolarHBondContact O-NE1 3.36Å
864R42.4Very low50.3Low199 Ų19997.7 Ų97.775%0.75147%0.474SS*.  trans-94.4-4.1-175.9-72.9-170.6-177.6-173.72.5115.2N859 D862 W866N859-R864 PolarHBondContact O-N 3.25Å; D862-R864 HydrophobicContact CB-CG 4.48Å; D862-R864 PolarHBondContact O-N 3.38Å; R864-W866 PolarHBondContact O-N 3.42Å; R864-W866 VanDerWaalsContact O-N 3.11Å
865K35.1Very low47.2Very low112 Ų112102.1 Ų102.149%0.48751%0.511SS..  trans-78.194.9165.6-99.3-167-168168.10110.5N859 E860N859-K865 HydrophobicContact CB-CG 4.1Å; N859-K865 PolarHBondContact O-N 3.46Å; E860-K865 HydrophobicContact CG-CD 4.15Å; E860-K865 IonicContact OE1-NZ 3.04Å; E860-K865 PolarHBondContact OE1-NZ 3.46Å
866W32.7Very low44.7Very low134 Ų134105.3 Ų105.351%0.50854%0.536SS..  trans-102.6126.7166.5-64.869.2000107.4I810 G863 R864I810-W866 HydrophobicContact CB-CH2 4.24Å; I810-W866 HydrophobicContact CB-CZ2 4.45Å; I810-W866 HydrophobicContact CD1-CH2 3.74Å; I810-W866 HydrophobicContact CD1-CZ2 4.3Å; I810-W866 HydrophobicContact CG1-CH2 3.01Å; I810-W866 HydrophobicContact CG1-CZ2 3.49Å; I810-W866 VanDerWaalsContact CG1-CZ2 3.49Å; I810-W866 HydrophobicContact CG1-CZ3 3.87Å; G863-W866 PolarHBondContact O-NE1 3.36Å; R864-W866 PolarHBondContact O-N 3.42Å; R864-W866 VanDerWaalsContact O-N 3.11Å
867Y29.7Very low42.1Very low150 Ų150112.3 Ų112.359%0.58857%0.572SS**  trans5.8112178.3-75.7-88.6000116.9K806 H869K806-Y867 HydrophobicContact CB-CE1 4.49Å; K806-Y867 HydrophobicContact CD-CE1 4.45Å; K806-Y867 HydrophobicContact CG-CE1 4.42Å; Y867-H869 PolarHBondContact O-N 2.97Å
868I27.1Very low39.7Very low150 Ų150119.2 Ų119.277%0.76961%0.607SS**  trans-60.598.8151.2-62.8170.4000105.1E870I868-E870 PolarHBondContact O-N 3.13Å
869H24.7Very low37.8Very low158 Ų158123.4 Ų123.473%0.73163%0.63SS**  trans-40.6129.4148.7-106.4-89.1000106.2Y867 C871Y867-H869 PolarHBondContact O-N 2.97Å; H869-C871 HydrophobicContact CB-CB 4.4Å; H869-C871 WeakPolarHBondContact O-CB 3.38Å; H869-C871 PolarHBondContact O-N 2.85Å
870E27.8Very low36.2Very low184 Ų184129.4 Ų129.486%0.8666%0.656SS**SBendtrans-51.291.6165.3-77.8171.2169.700107.4I868I868-E870 PolarHBondContact O-N 3.13Å
871C24.1Very low35Very low94 Ų94129.4 Ų129.464%0.63566%0.661SS**  trans-131102.9-173-156.30000104.7H869H869-C871 HydrophobicContact CB-CB 4.4Å; H869-C871 WeakPolarHBondContact O-CB 3.38Å; H869-C871 PolarHBondContact O-N 2.85Å
872S26.4Very low34.9Very low85 Ų85133.3 Ų133.359%0.59468%0.679SS**  trans39.4127.2151.254.40000117.7E874S872-E874 PolarHBondContact O-N 3.2Å
873K34Very low35.8Very low214 Ų214133.4 Ų133.493%0.9368%0.678SS**THydrogen-bonded Turntrans-60.326.8177.6-71.5-177.1171.4179.50116
874E28.1Very low37.2Very low175 Ų175132.1 Ų132.182%0.81866%0.663SS**THydrogen-bonded Turntrans-12912.7-169.7-71.6-178.3165.900115.9S872 T876S872-E874 PolarHBondContact O-N 3.2Å; E874-T876 PolarHBondContact O-N 3.2Å
875A25.4Very low39.3Very low96 Ų96123 Ų12379%0.79363%0.629SS**  trans-94.957.8166.900000112.1I877A875-I877 PolarHBondContact O-N 2.75Å
876T34.9Very low41.9Very low131 Ų131117.9 Ų117.980%0.80461%0.607SS**  trans-84.310.4175.7-9.40000113.6E874E874-T876 PolarHBondContact O-N 3.2Å
877I28.6Very low44.4Very low147 Ų147111.5 Ų111.575%0.75458%0.583SS**  trans-135126.3-174.1-45.8-179.4000109A875A875-I877 PolarHBondContact O-N 2.75Å
878I26.3Very low47.3Very low149 Ų149106.5 Ų106.576%0.76457%0.568SS**SBendtrans109.1116.2168.3-53.1171000115
879T29.7Very low50.4Low113 Ų11399.4 Ų99.469%0.69353%0.531SS*.  trans79.495.7165.953.90000118.7C881T879-C881 VanDerWaalsContact C-N 3.28Å; T879-C881 PolarHBondContact O-N 3.01Å
880H32.3Very low53.5Low190 Ų19092 Ų9288%0.8850%0.497SS*.  trans-47.993.8150.3-71.649.1000108.9Q882H880-Q882 PolarHBondContact O-N 2.76Å
881C43.6Very low56.5Low54 Ų5485.2 Ų85.237%0.36547%0.466SS..  trans-61108.7169.8-70.90000106.7N859 T879 L883N859-C881 PolarHBondContact ND2-SG 3.39Å; N859-C881 VanDerWaalsContact ND2-SG 3.4Å; T879-C881 VanDerWaalsContact C-N 3.28Å; T879-C881 PolarHBondContact O-N 3.01Å; C881-L883 PolarHBondContact O-N 2.97Å
882Q65.6Low59.8Low121 Ų12181.6 Ų81.657%0.56544%0.441SS*.  trans-56.7111.6175.9-72.1178.6-7.800108A858 H880A858-Q882 PolarHBondContact N-O 3.07Å; A858-Q882 VanDerWaalsContact N-O 3.15Å; H880-Q882 PolarHBondContact O-N 2.76Å
883L78.7Confident63Low108 Ų10879.2 Ų79.257%0.56542%0.419SS*.EExtended strand (participates in β ladder)trans-73.8124.5170.9-68.1170.1000107.3F855 C881F855-L883 HydrophobicContact CB-CB 4.15Å; F855-L883 HydrophobicContact CB-CD2 4.27Å; F855-L883 HydrophobicContact CD1-CB 3.5Å; F855-L883 VanDerWaalsContact CD1-CB 3.5Å; F855-L883 HydrophobicContact CE1-CB 4.1Å; F855-L883 HydrophobicContact CG-CB 4.04Å; C881-L883 PolarHBondContact O-N 2.97Å
884L83.8Confident65.7Low11 Ų1169.5 Ų69.56%0.05838%0.377CS..EExtended strand (participates in β ladder)trans-101.6137.2-177.6-62.3172.5000109.7W546 M548 F855 I856 A858 L861W546-L884 VanDerWaalsContact CD1-O 3.24Å; W546-L884 PolarHBondContact NE1-O 2.73Å; M548-L884 HydrophobicContact CE-CD2 3.53Å; F855-L884 WeakPolarHBondContact CA-O 3.36Å; I856-L884 PolarHBondContact N-O 2.72Å; I856-L884 PolarHBondContact O-N 3.23Å; A858-L884 HydrophobicContact CB-CD1 4.04Å; L861-L884 HydrophobicContact CD2-CD1 3.77Å
885L87.5Confident68.7Low7 Ų765.6 Ų65.64%0.03736%0.355CS..PPolyproline II helixtrans-98152.9166.2-75.1166.6000110.4R551 L851 L854 F855 V889 I890 R893R551-L885 PolarHBondContact NH2-O 3.4Å; L851-L885 HydrophobicContact CD2-CD1 4.18Å; L851-L885 HydrophobicContact CD2-CD2 4.05Å; L854-L885 HydrophobicContact CB-CD2 3.99Å; F855-L885 HydrophobicContact CD1-CD2 3.82Å; F855-L885 HydrophobicContact CD1-CG 3.71Å; F855-L885 HydrophobicContact CD2-CD2 4.27Å; F855-L885 HydrophobicContact CE1-CD1 3.73Å; F855-L885 HydrophobicContact CE1-CD2 3.81Å; F855-L885 HydrophobicContact CE1-CG 3.39Å; F855-L885 HydrophobicContact CE2-CD2 4.21Å; F855-L885 HydrophobicContact CG-CD2 4.08Å; F855-L885 HydrophobicContact CG-CG 4.47Å; F855-L885 HydrophobicContact CZ-CD1 3.79Å; F855-L885 HydrophobicContact CZ-CD2 4Å; F855-L885 HydrophobicContact CZ-CG 3.85Å; L885-V889 HydrophobicContact CD1-CG1 4.31Å; L885-V889 HydrophobicContact CD2-CG1 4.1Å; L885-I890 HydrophobicContact CB-CD1 4.19Å; L885-I890 HydrophobicContact CB-CG1 3.9Å; L885-R893 VanDerWaalsContact CD1-NH1 3.35Å
886P88.4Confident72Confident4 Ų461.1 Ų61.13%0.02632%0.318CS..PPolyproline II helixtrans-67.5146.6170.829-30.6000110L545 W546 T888 V889 I890L545-P886 HydrophobicContact CB-CB 3.83Å; L545-P886 CarbonylContact O-C 3.57Å; L545-P886 VanDerWaalsContact O-CA 3.31Å; L545-P886 WeakPolarHBondContact O-CA 3.47Å; W546-P886 HydrophobicContact CD2-CB 3.78Å; W546-P886 HydrophobicContact CD2-CG 4.36Å; W546-P886 HydrophobicContact CE3-CB 3.89Å; W546-P886 HydrophobicContact CG-CB 4.41Å; W546-P886 HydrophobicContact CH2-CB 4.01Å; W546-P886 HydrophobicContact CH2-CG 4.01Å; W546-P886 HydrophobicContact CZ2-CB 3.89Å; W546-P886 HydrophobicContact CZ2-CG 3.63Å; W546-P886 HydrophobicContact CZ3-CB 4.01Å; P886-T888 PolarHBondContact O-N 2.89Å; P886-V889 HydrophobicContact CG-CB 3.91Å; P886-V889 HydrophobicContact CG-CG2 3.48Å; P886-V889 VanDerWaalsContact CG-CG2 3.48Å; P886-V889 WeakPolarHBondContact O-CB 3.21Å; P886-V889 PolarHBondContact O-N 2.87Å; P886-V889 VanDerWaalsContact O-N 3.08Å; P886-I890 PolarHBondContact O-N 2.97Å
887T86.6Confident74.8Confident1 Ų155 Ų551%0.00628%0.281CS..Hα-helixtrans-56.1-36.7-176.4-63.40000112.8L545 S550 R551 C554 V572 V889 I890 L891L545-T887 PolarHBondContact O-N 3.33Å; L545-T887 PolarHBondContact O-OG1 3.48Å; L545-T887 VanDerWaalsContact O-OG1 3.07Å; S550-T887 PolarHBondContact OG-OG1 3.08Å; R551-T887 HydrophobicContact CG-CG2 4.3Å; R551-T887 WeakPolarHBondContact CG-OG1 3.32Å; C554-T887 WeakPolarHBondContact SG-CG2 3.19Å; V572-T887 HydrophobicContact CG2-CG2 4.14Å; T887-V889 PolarHBondContact O-N 2.83Å; T887-I890 PolarHBondContact O-N 3.42Å; T887-L891 HydrophobicContact CG2-CD1 4.26Å; T887-L891 HydrophobicContact CG2-CG 4.49Å; T887-L891 VanDerWaalsContact O-CG 3.31Å; T887-L891 WeakPolarHBondContact O-CG 3.47Å; T887-L891 PolarHBondContact O-N 2.96Å
888T89.5Confident77.8Confident45 Ų4552.8 Ų52.828%0.27627%0.269SS..Hα-helixtrans-63-40.8177.450.90000112.8L545 Y828 P886 L891 L892L545-T888 HydrophobicContact CD1-CG2 4.03Å; L545-T888 HydrophobicContact CD2-CG2 4.16Å; Y828-T888 WeakPolarHBondContact OH-CB 3.48Å; P886-T888 PolarHBondContact O-N 2.89Å; T888-L891 PolarHBondContact O-N 3.35Å; T888-L892 PolarHBondContact O-N 3Å
889V91.9Very high80.9Confident1 Ų149.7 Ų49.71%0.00625%0.252CS..Hα-helixtrans-65.4-43.2175.1170.20000111Y828 L847 L851 L854 L885 P886 T887 L891 L892 R893Y828-V889 HydrophobicContact CD2-CG2 3.53Å; Y828-V889 HydrophobicContact CE2-CB 4.24Å; Y828-V889 HydrophobicContact CE2-CG2 3.4Å; Y828-V889 HydrophobicContact CG-CG2 4.25Å; L847-V889 HydrophobicContact CD1-CG1 4.19Å; L851-V889 HydrophobicContact CD2-CG1 3.71Å; L854-V889 HydrophobicContact CD1-CG1 4.46Å; L854-V889 HydrophobicContact CD1-CG2 3.57Å; L885-V889 HydrophobicContact CD1-CG1 4.31Å; L885-V889 HydrophobicContact CD2-CG1 4.1Å; P886-V889 HydrophobicContact CG-CB 3.91Å; P886-V889 HydrophobicContact CG-CG2 3.48Å; P886-V889 VanDerWaalsContact CG-CG2 3.48Å; P886-V889 WeakPolarHBondContact O-CB 3.21Å; P886-V889 PolarHBondContact O-N 2.87Å; P886-V889 VanDerWaalsContact O-N 3.08Å; T887-V889 PolarHBondContact O-N 2.83Å; V889-L891 VanDerWaalsContact C-N 3.32Å; V889-L891 PolarHBondContact O-N 3.42Å; V889-L892 PolarHBondContact O-N 3Å; V889-R893 HydrophobicContact CG1-CG 4.43Å; V889-R893 VanDerWaalsContact O-CG 3.31Å; V889-R893 WeakPolarHBondContact O-CG 3.43Å; V889-R893 PolarHBondContact O-N 2.95Å
890I90.1Very high84Confident1 Ų147.1 Ų47.11%0.00523%0.233CC..Hα-helixtrans-60.3-45.4177.7-62.8164.2000110.2L885 P886 T887 R893 I894 N913 F914L885-I890 HydrophobicContact CB-CD1 4.19Å; L885-I890 HydrophobicContact CB-CG1 3.9Å; P886-I890 PolarHBondContact O-N 2.97Å; T887-I890 PolarHBondContact O-N 3.42Å; I890-R893 PolarHBondContact O-N 3.38Å; I890-I894 HydrophobicContact CG2-CD1 3.98Å; I890-I894 WeakPolarHBondContact O-CG1 2.88Å; I890-I894 PolarHBondContact O-N 3.12Å; I890-N913 HydrophobicContact CD1-CB 4.23Å; I890-N913 VanDerWaalsContact CD1-OD1 3.31Å; I890-N913 WeakPolarHBondContact CD1-OD1 3.37Å; I890-N913 HydrophobicContact CG2-CB 3.86Å; I890-F914 HydrophobicContact CG2-CE2 3.84Å; I890-F914 HydrophobicContact CG2-CZ 4.39Å
891L90.4Very high86.9Confident42 Ų4244.1 Ų44.122%0.2222%0.224CC..Hα-helixtrans-62.4-43.1177.5-69174.8000112T887 T888 V889 R893 I894 Y895 F914T887-L891 HydrophobicContact CG2-CD1 4.26Å; T887-L891 HydrophobicContact CG2-CG 4.49Å; T887-L891 VanDerWaalsContact O-CG 3.31Å; T887-L891 WeakPolarHBondContact O-CG 3.47Å; T887-L891 PolarHBondContact O-N 2.96Å; T888-L891 PolarHBondContact O-N 3.35Å; V889-L891 VanDerWaalsContact C-N 3.32Å; V889-L891 PolarHBondContact O-N 3.42Å; L891-R893 VanDerWaalsContact C-N 3.35Å; L891-R893 PolarHBondContact O-N 3.47Å; L891-I894 PolarHBondContact O-N 3.44Å; L891-Y895 WeakPolarHBondContact O-CB 3.45Å; L891-Y895 PolarHBondContact O-N 3.48Å; L891-F914 HydrophobicContact CD2-CZ 4.26Å
892L93.1Very high89.2Confident19 Ų1944.6 Ų44.610%0.09922%0.223CC..Hα-helixtrans-62.9-40.4175.8-176.363.5000111.8Y828 A831 V832 A835 L847 T888 V889 I894 Y895 L896Y828-L892 HydrophobicContact CD2-CD2 4.26Å; Y828-L892 HydrophobicContact CE2-CD2 3.78Å; A831-L892 HydrophobicContact CB-CD2 4.47Å; V832-L892 HydrophobicContact CG2-CD2 3.79Å; A835-L892 HydrophobicContact CB-CD1 4.01Å; L847-L892 HydrophobicContact CD1-CD2 3.97Å; L847-L892 HydrophobicContact CD2-CB 4.34Å; L847-L892 HydrophobicContact CD2-CD2 3.87Å; L847-L892 HydrophobicContact CD2-CG 3.86Å; L847-L892 HydrophobicContact CG-CD2 4.47Å; T888-L892 PolarHBondContact O-N 3Å; V889-L892 PolarHBondContact O-N 3Å; L892-I894 PolarHBondContact O-N 3.49Å; L892-Y895 HydrophobicContact CD1-CD1 4.3Å; L892-Y895 PolarHBondContact O-N 3.06Å; L892-L896 HydrophobicContact CD1-CD1 4.38Å; L892-L896 HydrophobicContact CD1-CG 4.25Å; L892-L896 HydrophobicContact CG-CD1 4.14Å; L892-L896 HydrophobicContact CG-CG 4.41Å; L892-L896 WeakPolarHBondContact O-CB 2.93Å; L892-L896 WeakPolarHBondContact O-CG 3.19Å; L892-L896 PolarHBondContact O-N 3.07Å
893R94.1Very high90.1Very high35 Ų3545.1 Ų45.113%0.13223%0.225CC..Hα-helixtrans-61.5-43.7175.7-70.6176.575.1-166.51.2111.8L847 L885 V889 I890 L891 A897 Y905 L909L847-R893 HydrophobicContact CD2-CB 4.45Å; L847-R893 HydrophobicContact CD2-CG 3.56Å; L847-R893 HydrophobicContact CG-CG 4.3Å; L885-R893 VanDerWaalsContact CD1-NH1 3.35Å; V889-R893 HydrophobicContact CG1-CG 4.43Å; V889-R893 VanDerWaalsContact O-CG 3.31Å; V889-R893 WeakPolarHBondContact O-CG 3.43Å; V889-R893 PolarHBondContact O-N 2.95Å; I890-R893 PolarHBondContact O-N 3.38Å; L891-R893 VanDerWaalsContact C-N 3.35Å; L891-R893 PolarHBondContact O-N 3.47Å; R893-A897 VanDerWaalsContact O-CB 3.3Å; R893-A897 WeakPolarHBondContact O-CB 3.49Å; R893-A897 PolarHBondContact O-N 3.03Å; R893-Y905 PolarHBondContact NH2-OH 3.45Å; R893-L909 HydrophobicContact CB-CD1 3.79Å
894I90.8Very high90.6Very high10 Ų1047.1 Ų47.15%0.05123%0.229CC..Hα-helixtrans-63.1-46.9176-66.9164000110.2I890 L891 L892 L896 A897 I898 L909 I910 F914I890-I894 HydrophobicContact CG2-CD1 3.98Å; I890-I894 WeakPolarHBondContact O-CG1 2.88Å; I890-I894 PolarHBondContact O-N 3.12Å; L891-I894 PolarHBondContact O-N 3.44Å; L892-I894 PolarHBondContact O-N 3.49Å; I894-L896 PolarHBondContact O-N 3.31Å; I894-A897 PolarHBondContact O-N 2.84Å; I894-I898 HydrophobicContact CG2-CD1 3.81Å; I894-I898 VanDerWaalsContact O-CG1 3.3Å; I894-I898 WeakPolarHBondContact O-CG1 3.22Å; I894-I898 PolarHBondContact O-N 3.37Å; I894-L909 HydrophobicContact CG1-CB 3.92Å; I894-L909 HydrophobicContact CG1-CD1 4.23Å; I894-I910 HydrophobicContact CD1-CG1 3.76Å; I894-I910 HydrophobicContact CG1-CG1 4.14Å; I894-I910 HydrophobicContact CG2-CD1 4.15Å; I894-I910 HydrophobicContact CG2-CG1 4.22Å; I894-F914 HydrophobicContact CD1-CD2 4.41Å; I894-F914 HydrophobicContact CD1-CE2 3.87Å
895Y92.3Very high90.9Very high92 Ų9249.6 Ų49.636%0.36124%0.238SC..Hα-helixtrans-56.9-49.9178.1175.9-98.4000111.8A835 Y840 L891 L892 A897 I898 H899A835-Y895 HydrophobicContact CB-CE1 4.34Å; Y840-Y895 HydrophobicContact CD1-CE1 4.41Å; Y840-Y895 AromaticContact CE1-CE1 3.96Å; Y840-Y895 HydrophobicContact CE1-CE1 3.96Å; L891-Y895 WeakPolarHBondContact O-CB 3.45Å; L891-Y895 PolarHBondContact O-N 3.48Å; L892-Y895 HydrophobicContact CD1-CD1 4.3Å; L892-Y895 PolarHBondContact O-N 3.06Å; Y895-A897 PolarHBondContact O-N 3.21Å; Y895-I898 PolarHBondContact O-N 2.96Å; Y895-H899 AromaticContact CD2-CD2 3.63Å; Y895-H899 AromaticContact CD2-NE2 3.78Å; Y895-H899 AromaticContact CE1-CD2 3.71Å; Y895-H899 AromaticContact CE2-CD2 3.3Å; Y895-H899 WeakPolarHBondContact CE2-CD2 3.42Å; Y895-H899 AromaticContact CE2-NE2 3.07Å; Y895-H899 WeakPolarHBondContact CE2-NE2 3.3Å; Y895-H899 AromaticContact CG-CD2 3.98Å; Y895-H899 AromaticContact CZ-CD2 3.34Å; Y895-H899 AromaticContact CZ-NE2 3.3Å; Y895-H899 VanDerWaalsContact CZ-NE2 3.3Å; Y895-H899 PolarHBondContact O-CD2 3.4Å; Y895-H899 VanDerWaalsContact O-CD2 3.29Å; Y895-H899 PolarHBondContact O-N 3.26Å; Y895-H899 PolarHBondContact OH-NE2 2.87Å
896L94.8Very high90.8Very high3 Ų349.5 Ų49.52%0.01624%0.238CC..Hα-helixtrans-65.1-39.2178.2-68.4175.9000112.4A835 Y840 K844 L847 L892 I894 I898 H899 L900A835-L896 HydrophobicContact CB-CD2 4.24Å; Y840-L896 HydrophobicContact CD1-CD2 3.99Å; K844-L896 HydrophobicContact CB-CD1 4.21Å; L847-L896 HydrophobicContact CB-CD1 4.5Å; L847-L896 HydrophobicContact CD2-CD1 3.69Å; L892-L896 HydrophobicContact CD1-CD1 4.38Å; L892-L896 HydrophobicContact CD1-CG 4.25Å; L892-L896 HydrophobicContact CG-CD1 4.14Å; L892-L896 HydrophobicContact CG-CG 4.41Å; L892-L896 WeakPolarHBondContact O-CB 2.93Å; L892-L896 WeakPolarHBondContact O-CG 3.19Å; L892-L896 PolarHBondContact O-N 3.07Å; I894-L896 PolarHBondContact O-N 3.31Å; L896-I898 VanDerWaalsContact C-N 3.32Å; L896-I898 PolarHBondContact O-N 2.88Å; L896-H899 PolarHBondContact O-N 3.04Å; L896-L900 VanDerWaalsContact O-CB 3.27Å; L896-L900 WeakPolarHBondContact O-CB 3.43Å; L896-L900 VanDerWaalsContact O-CG 3.26Å; L896-L900 WeakPolarHBondContact O-CG 3.41Å; L896-L900 PolarHBondContact O-N 3.39Å
897A92.9Very high90.5Very high3 Ų354.5 Ų54.53%0.02526%0.264CS..Hα-helixtrans-60.9-41.5176.300000111.9R893 I894 Y895 N901 D902 Y905 A906R893-A897 VanDerWaalsContact O-CB 3.3Å; R893-A897 WeakPolarHBondContact O-CB 3.49Å; R893-A897 PolarHBondContact O-N 3.03Å; I894-A897 PolarHBondContact O-N 2.84Å; Y895-A897 PolarHBondContact O-N 3.21Å; A897-N901 PolarHBondContact O-N 3.19Å; A897-D902 PolarHBondContact O-N 2.95Å; A897-Y905 HydrophobicContact CB-CD1 3.78Å; A897-A906 HydrophobicContact CB-CB 3.82Å
898I90.7Very high90.5Very high99 Ų9958.1 Ų58.151%0.50828%0.281SS..Hα-helixtrans-64.5-48.7175.6-66.6166000110.6I894 Y895 L896 L900 N901 A906I894-I898 HydrophobicContact CG2-CD1 3.81Å; I894-I898 VanDerWaalsContact O-CG1 3.3Å; I894-I898 WeakPolarHBondContact O-CG1 3.22Å; I894-I898 PolarHBondContact O-N 3.37Å; Y895-I898 PolarHBondContact O-N 2.96Å; L896-I898 VanDerWaalsContact C-N 3.32Å; L896-I898 PolarHBondContact O-N 2.88Å; I898-L900 VanDerWaalsContact C-N 3.3Å; I898-L900 PolarHBondContact O-N 3.47Å; I898-N901 PolarHBondContact O-N 3.28Å; I898-N901 VanDerWaalsContact O-N 3.08Å; I898-A906 HydrophobicContact CG1-CB 4.03Å
899H92.6Very high90.4Very high85 Ų8556.1 Ų56.139%0.39427%0.269SS..Hα-helixtrans-68.8-25.6-178.6-83.5-75.1000114Y840 Y895 L896 N901Y840-H899 HydrophobicContact CD1-CB 4.04Å; Y840-H899 HydrophobicContact CD2-CB 4.15Å; Y840-H899 HydrophobicContact CE1-CB 4.13Å; Y840-H899 AromaticContact CE1-CG 3.94Å; Y840-H899 HydrophobicContact CE2-CB 4.24Å; Y840-H899 AromaticContact CE2-ND1 3.99Å; Y840-H899 HydrophobicContact CG-CB 4.04Å; Y840-H899 AromaticContact CZ-CG 3.89Å; Y840-H899 AromaticContact CZ-ND1 3.66Å; Y895-H899 AromaticContact CD2-CD2 3.63Å; Y895-H899 AromaticContact CD2-NE2 3.78Å; Y895-H899 AromaticContact CE1-CD2 3.71Å; Y895-H899 AromaticContact CE2-CD2 3.3Å; Y895-H899 WeakPolarHBondContact CE2-CD2 3.42Å; Y895-H899 AromaticContact CE2-NE2 3.07Å; Y895-H899 WeakPolarHBondContact CE2-NE2 3.3Å; Y895-H899 AromaticContact CG-CD2 3.98Å; Y895-H899 AromaticContact CZ-CD2 3.34Å; Y895-H899 AromaticContact CZ-NE2 3.3Å; Y895-H899 VanDerWaalsContact CZ-NE2 3.3Å; Y895-H899 PolarHBondContact O-CD2 3.4Å; Y895-H899 VanDerWaalsContact O-CD2 3.29Å; Y895-H899 PolarHBondContact O-N 3.26Å; Y895-H899 PolarHBondContact OH-NE2 2.87Å; L896-H899 PolarHBondContact O-N 3.04Å; H899-N901 VanDerWaalsContact C-N 3.28Å
900L94.6Very high89.9Confident58 Ų5858.2 Ų58.230%0.30428%0.279SS..THydrogen-bonded Turntrans-88.78.4173.2-66.5170.2000113.1K844 L896 I898 D902K844-L900 HydrophobicContact CB-CD1 4.01Å; K844-L900 HydrophobicContact CD-CD1 3.43Å; K844-L900 VanDerWaalsContact CD-CD1 3.43Å; K844-L900 HydrophobicContact CG-CD1 4.31Å; L896-L900 VanDerWaalsContact O-CB 3.27Å; L896-L900 WeakPolarHBondContact O-CB 3.43Å; L896-L900 VanDerWaalsContact O-CG 3.26Å; L896-L900 WeakPolarHBondContact O-CG 3.41Å; L896-L900 PolarHBondContact O-N 3.39Å; I898-L900 VanDerWaalsContact C-N 3.3Å; I898-L900 PolarHBondContact O-N 3.47Å; L900-D902 PolarHBondContact O-N 2.87Å
901N91.9Very high89.5Confident127 Ų12766.5 Ų66.568%0.67931%0.31SS*.THydrogen-bonded Turntrans6027.1179-15834.7000114.6A897 I898 H899 Q903A897-N901 PolarHBondContact O-N 3.19Å; I898-N901 PolarHBondContact O-N 3.28Å; I898-N901 VanDerWaalsContact O-N 3.08Å; H899-N901 VanDerWaalsContact C-N 3.28Å; N901-Q903 PolarHBondContact O-N 3.43Å
902D92.1Very high89.1Confident64 Ų6470.9 Ų70.934%0.34233%0.33SS..  trans-96.668.7174-167-10000110.3A897 L900 K904 Y905 A906A897-D902 PolarHBondContact O-N 2.95Å; L900-D902 PolarHBondContact O-N 2.87Å; D902-K904 VanDerWaalsContact C-N 3.26Å; D902-K904 PolarHBondContact O-N 3.44Å; D902-Y905 PolarHBondContact O-N 3.26Å; D902-Y905 WeakPolarHBondContact OD1-CB 3.48Å; D902-Y905 PolarHBondContact OD1-N 2.97Å; D902-Y905 VanDerWaalsContact OD1-N 3.13Å; D902-Y905 VanDerWaalsContact OD2-CB 3.25Å; D902-Y905 WeakPolarHBondContact OD2-CB 3.42Å; D902-A906 PolarHBondContact O-N 3.02Å
903Q86.1Confident88.6Confident132 Ų13270.7 Ų70.762%0.61733%0.329SS*.Hα-helixtrans-62.1-35-176.3-64.8-176.7-6.300112.4N901 A906 I907N901-Q903 PolarHBondContact O-N 3.43Å; Q903-A906 PolarHBondContact O-N 3.49Å; Q903-I907 WeakPolarHBondContact O-CD1 3.43Å; Q903-I907 WeakPolarHBondContact O-CG1 3.49Å; Q903-I907 PolarHBondContact O-N 3.15Å
904K88.8Confident88Confident150 Ų15069 Ų6965%0.65232%0.322SS*.Hα-helixtrans-63-47.8179-175.4-178.1175-172.70110.4D902 I907 E908D902-K904 VanDerWaalsContact C-N 3.26Å; D902-K904 PolarHBondContact O-N 3.44Å; K904-I907 PolarHBondContact O-N 2.89Å; K904-E908 WeakPolarHBondContact CE-OE1 3.3Å; K904-E908 WeakPolarHBondContact O-CG 3.36Å; K904-E908 PolarHBondContact O-N 3.37Å
905Y89.1Confident87Confident63 Ų6369.5 Ų69.525%0.24733%0.33CS..Hα-helixtrans-65.2-40.9177.5-174.7-119000112.6R893 A897 D902 I907 E908 L909R893-Y905 PolarHBondContact NH2-OH 3.45Å; A897-Y905 HydrophobicContact CB-CD1 3.78Å; D902-Y905 PolarHBondContact O-N 3.26Å; D902-Y905 WeakPolarHBondContact OD1-CB 3.48Å; D902-Y905 PolarHBondContact OD1-N 2.97Å; D902-Y905 VanDerWaalsContact OD1-N 3.13Å; D902-Y905 VanDerWaalsContact OD2-CB 3.25Å; D902-Y905 WeakPolarHBondContact OD2-CB 3.42Å; Y905-I907 VanDerWaalsContact C-N 3.32Å; Y905-I907 PolarHBondContact O-N 2.9Å; Y905-E908 PolarHBondContact O-N 3.23Å; Y905-L909 HydrophobicContact CD1-CD1 3.92Å; Y905-L909 HydrophobicContact CD1-CG 4.46Å; Y905-L909 HydrophobicContact CE1-CD1 3.62Å; Y905-L909 HydrophobicContact CE1-CG 4.23Å; Y905-L909 HydrophobicContact CE2-CG 4.45Å; Y905-L909 WeakPolarHBondContact O-CG 3.45Å; Y905-L909 PolarHBondContact O-N 3.1Å
906A86Confident85.9Confident5 Ų569.3 Ų69.34%0.04133%0.332CS..Hα-helixtrans-58-44.5174.800000111.9A897 I898 D902 Q903 L909 I910A897-A906 HydrophobicContact CB-CB 3.82Å; I898-A906 HydrophobicContact CG1-CB 4.03Å; D902-A906 PolarHBondContact O-N 3.02Å; Q903-A906 PolarHBondContact O-N 3.49Å; A906-L909 PolarHBondContact O-N 3.38Å; A906-I910 VanDerWaalsContact O-CG1 3.27Å; A906-I910 WeakPolarHBondContact O-CG1 3.48Å; A906-I910 PolarHBondContact O-N 3.24Å
907I83.2Confident84.5Confident109 Ų10970.8 Ų70.856%0.55934%0.34SS*.Hα-helixtrans-63.9-41.2176.8-68.7164.3000111.1Q903 K904 Y905 I910 R911Q903-I907 WeakPolarHBondContact O-CD1 3.43Å; Q903-I907 WeakPolarHBondContact O-CG1 3.49Å; Q903-I907 PolarHBondContact O-N 3.15Å; K904-I907 PolarHBondContact O-N 2.89Å; Y905-I907 VanDerWaalsContact C-N 3.32Å; Y905-I907 PolarHBondContact O-N 2.9Å; I907-I910 PolarHBondContact O-N 3.22Å; I907-R911 VanDerWaalsContact O-CB 3.3Å; I907-R911 WeakPolarHBondContact O-CB 3.44Å; I907-R911 PolarHBondContact O-N 2.89Å
908E85.9Confident82.9Confident77 Ų7771.2 Ų71.236%0.3634%0.343SS..Hα-helixtrans-61.3-46.4176.7-75.2175.1-17900111.6K904 Y905 I910 R911 E912K904-E908 WeakPolarHBondContact CE-OE1 3.3Å; K904-E908 WeakPolarHBondContact O-CG 3.36Å; K904-E908 PolarHBondContact O-N 3.37Å; Y905-E908 PolarHBondContact O-N 3.23Å; E908-I910 PolarHBondContact O-N 3.41Å; E908-R911 PolarHBondContact O-N 3.25Å; E908-E912 WeakPolarHBondContact O-CB 3.37Å; E908-E912 PolarHBondContact O-N 3.26Å
909L86.3Confident81.3Confident4 Ų469.5 Ų69.52%0.02133%0.334CS..Hα-helixtrans-61.1-43.7176.7-71.6174.8000112.6R893 I894 Y905 A906 E912 N913R893-L909 HydrophobicContact CB-CD1 3.79Å; I894-L909 HydrophobicContact CG1-CB 3.92Å; I894-L909 HydrophobicContact CG1-CD1 4.23Å; Y905-L909 HydrophobicContact CD1-CD1 3.92Å; Y905-L909 HydrophobicContact CD1-CG 4.46Å; Y905-L909 HydrophobicContact CE1-CD1 3.62Å; Y905-L909 HydrophobicContact CE1-CG 4.23Å; Y905-L909 HydrophobicContact CE2-CG 4.45Å; Y905-L909 WeakPolarHBondContact O-CG 3.45Å; Y905-L909 PolarHBondContact O-N 3.1Å; A906-L909 PolarHBondContact O-N 3.38Å; L909-E912 PolarHBondContact O-N 3.25Å; L909-N913 WeakPolarHBondContact O-CB 3.34Å; L909-N913 PolarHBondContact O-N 3.44Å; L909-N913 PolarHBondContact O-ND2 3.44Å
910I83.1Confident79.5Confident44 Ų4469 Ų6923%0.22634%0.337CS..Hα-helixtrans-63.4-45.5177.3-69.3166000110.1L567 I894 A906 I907 E908 F914 G915L567-I910 HydrophobicContact CD1-CG2 3.71Å; I894-I910 HydrophobicContact CD1-CG1 3.76Å; I894-I910 HydrophobicContact CG1-CG1 4.14Å; I894-I910 HydrophobicContact CG2-CD1 4.15Å; I894-I910 HydrophobicContact CG2-CG1 4.22Å; A906-I910 VanDerWaalsContact O-CG1 3.27Å; A906-I910 WeakPolarHBondContact O-CG1 3.48Å; A906-I910 PolarHBondContact O-N 3.24Å; I907-I910 PolarHBondContact O-N 3.22Å; E908-I910 PolarHBondContact O-N 3.41Å; I910-F914 WeakPolarHBondContact O-CA 2.86Å; I910-F914 WeakPolarHBondContact O-CB 3.22Å; I910-F914 PolarHBondContact O-N 3.49Å; I910-G915 PolarHBondContact O-N 2.91Å
911R80.7Confident77.3Confident175 Ų17572.2 Ų72.266%0.6635%0.354SS*.Hα-helixtrans-63.3-43.5179.4-174.7179.967.1-177.1-2111.7I907 E908 G915I907-R911 VanDerWaalsContact O-CB 3.3Å; I907-R911 WeakPolarHBondContact O-CB 3.44Å; I907-R911 PolarHBondContact O-N 2.89Å; E908-R911 PolarHBondContact O-N 3.25Å; R911-G915 VanDerWaalsContact O-CA 3.23Å; R911-G915 WeakPolarHBondContact O-CA 3.48Å; R911-G915 PolarHBondContact O-N 2.76Å; R911-G915 VanDerWaalsContact O-N 3.1Å
912E83Confident74.9Confident134 Ų13471.2 Ų71.263%0.62634%0.341SS*.Hα-helixtrans-64.6-49179.9-174.8-176.3179.500111.7E908 L909E908-E912 WeakPolarHBondContact O-CB 3.37Å; E908-E912 PolarHBondContact O-N 3.26Å; L909-E912 PolarHBondContact O-N 3.25Å
913N82.1Confident72.2Confident15 Ų1573.5 Ų73.58%0.0835%0.348CS..Hα-helixtrans-92.2-29.5-169.6-67.8-83.4000114.2I890 L909 H916I890-N913 HydrophobicContact CD1-CB 4.23Å; I890-N913 VanDerWaalsContact CD1-OD1 3.31Å; I890-N913 WeakPolarHBondContact CD1-OD1 3.37Å; I890-N913 HydrophobicContact CG2-CB 3.86Å; L909-N913 WeakPolarHBondContact O-CB 3.34Å; L909-N913 PolarHBondContact O-N 3.44Å; L909-N913 PolarHBondContact O-ND2 3.44Å; N913-H916 PolarHBondContact O-CE1 3.18Å; N913-H916 VanDerWaalsContact O-CE1 3.28Å
914F80.3Confident69.7Low0 Ų074.2 Ų74.20%036%0.356CS..Hα-helixtrans-119.8-11.5-176.6-60-83.7000113.9R551 C554 I555 L569 I890 L891 I894 I910 H916 L917 A918R551-F914 HydrophobicContact CB-CD1 4.46Å; R551-F914 HydrophobicContact CB-CE1 4.02Å; R551-F914 WeakPolarHBondContact O-CE1 3.44Å; C554-F914 HydrophobicContact CB-CE1 3.91Å; C554-F914 HydrophobicContact CB-CZ 4.43Å; I555-F914 HydrophobicContact CD1-CB 4.39Å; I555-F914 HydrophobicContact CD1-CD1 4.12Å; I555-F914 HydrophobicContact CG1-CD1 4.03Å; L569-F914 HydrophobicContact CD2-CD1 4.39Å; L569-F914 HydrophobicContact CD2-CE1 4.44Å; I890-F914 HydrophobicContact CG2-CE2 3.84Å; I890-F914 HydrophobicContact CG2-CZ 4.39Å; L891-F914 HydrophobicContact CD2-CZ 4.26Å; I894-F914 HydrophobicContact CD1-CD2 4.41Å; I894-F914 HydrophobicContact CD1-CE2 3.87Å; I910-F914 WeakPolarHBondContact O-CA 2.86Å; I910-F914 WeakPolarHBondContact O-CB 3.22Å; I910-F914 PolarHBondContact O-N 3.49Å; F914-H916 VanDerWaalsContact C-N 3.33Å; F914-H916 PolarHBondContact O-N 3.42Å; F914-L917 HydrophobicContact CD1-CD1 4.41Å; F914-L917 PolarHBondContact O-N 2.94Å; F914-A918 PolarHBondContact O-N 3.46Å
915G71.4Confident66.8Low20 Ų2071.1 Ų71.121%0.20635%0.353CS..Hα-helixtrans-60.8-37.7-173.600000114I910 R911 M919I910-G915 PolarHBondContact O-N 2.91Å; R911-G915 VanDerWaalsContact O-CA 3.23Å; R911-G915 WeakPolarHBondContact O-CA 3.48Å; R911-G915 PolarHBondContact O-N 2.76Å; R911-G915 VanDerWaalsContact O-N 3.1Å; G915-M919 VanDerWaalsContact O-CG 3.23Å; G915-M919 WeakPolarHBondContact O-CG 3.48Å; G915-M919 PolarHBondContact O-N 2.94Å
916H69Low64Low88 Ų8873.2 Ų73.241%0.40737%0.367SS..Hα-helixtrans-66.6-45.3176.566.1-80.1000111.8N913 F914 A918 M919 V920N913-H916 PolarHBondContact O-CE1 3.18Å; N913-H916 VanDerWaalsContact O-CE1 3.28Å; F914-H916 VanDerWaalsContact C-N 3.33Å; F914-H916 PolarHBondContact O-N 3.42Å; H916-A918 VanDerWaalsContact C-N 3.33Å; H916-A918 PolarHBondContact O-N 3.42Å; H916-M919 PolarHBondContact O-N 3.08Å; H916-V920 WeakPolarHBondContact O-CG2 3.41Å; H916-V920 PolarHBondContact O-N 3.49Å
917L64.8Low61.1Low34 Ų3477.3 Ų77.318%0.17839%0.394CS..Hα-helixtrans-60.3-41.7177.4-66167.9000111.9R551 K552 I555 F914 M919 V920R551-L917 HydrophobicContact CB-CD1 3.93Å; K552-L917 HydrophobicContact CB-CD1 4.32Å; K552-L917 HydrophobicContact CB-CD2 4.17Å; K552-L917 HydrophobicContact CG-CD2 4.36Å; I555-L917 HydrophobicContact CD1-CB 3.58Å; I555-L917 HydrophobicContact CD1-CD1 4.09Å; I555-L917 HydrophobicContact CD1-CG 4.48Å; F914-L917 HydrophobicContact CD1-CD1 4.41Å; F914-L917 PolarHBondContact O-N 2.94Å; L917-M919 PolarHBondContact O-N 3.21Å; L917-V920 PolarHBondContact O-N 3.2Å
918A59.2Low58.5Low12 Ų1279.4 Ų79.410%0.09940%0.404CS..Hα-helixtrans-67.4-17176.900000113.7R565 L567 F914 H916R565-A918 PolarHBondContact NH1-O 2.88Å; R565-A918 VanDerWaalsContact NH1-O 3.1Å; L567-A918 HydrophobicContact CD1-CB 4.41Å; L567-A918 HydrophobicContact CD2-CB 3.75Å; F914-A918 PolarHBondContact O-N 3.46Å; H916-A918 VanDerWaalsContact C-N 3.33Å; H916-A918 PolarHBondContact O-N 3.42Å
919M56.3Low55.7Low64 Ų6485.9 Ų85.932%0.31543%0.427SS..Hα-helixtrans-97.2-15.5-179.5-72.3-74.2-75.800113.8R565 G915 H916 L917 N921 R922 F923R565-M919 PolarHBondContact NH1-SD 3.29Å; G915-M919 VanDerWaalsContact O-CG 3.23Å; G915-M919 WeakPolarHBondContact O-CG 3.48Å; G915-M919 PolarHBondContact O-N 2.94Å; H916-M919 PolarHBondContact O-N 3.08Å; L917-M919 PolarHBondContact O-N 3.21Å; M919-N921 VanDerWaalsContact C-N 3.26Å; M919-N921 PolarHBondContact O-N 3.3Å; M919-R922 WeakPolarHBondContact O-CB 3.41Å; M919-R922 PolarHBondContact O-N 3.44Å; M919-F923 HydrophobicContact CB-CE2 4.45Å
920V55.1Low52.8Low74 Ų7492.6 Ų92.645%0.44846%0.463SS..Hα-helixtrans-58.4-35.6-175.3178.20000112.5H916 L917 R922 F923H916-V920 WeakPolarHBondContact O-CG2 3.41Å; H916-V920 PolarHBondContact O-N 3.49Å; L917-V920 PolarHBondContact O-N 3.2Å; V920-R922 PolarHBondContact O-N 3.39Å; V920-R922 VanDerWaalsContact O-N 3.11Å; V920-F923 PolarHBondContact O-N 3.01Å; V920-F923 VanDerWaalsContact O-N 3.16Å
921N48.2Very low50.1Low126 Ų12699 Ų9967%0.67449%0.492SS*.Hα-helixtrans-65.7-13.5177.1-74-10.6000114.2M919 S925M919-N921 VanDerWaalsContact C-N 3.26Å; M919-N921 PolarHBondContact O-N 3.3Å; N921-S925 PolarHBondContact O-OG 3Å; N921-S925 VanDerWaalsContact O-OG 3.08Å
922R42Very low47.5Very low106 Ų10698.1 Ų98.140%0.450%0.5SS..Hα-helixtrans-82.1-29.5173.2-80.9-169.7170.6176.5-4.7113.7M919 V920 S925 I926M919-R922 WeakPolarHBondContact O-CB 3.41Å; M919-R922 PolarHBondContact O-N 3.44Å; V920-R922 PolarHBondContact O-N 3.39Å; V920-R922 VanDerWaalsContact O-N 3.11Å; R922-S925 PolarHBondContact O-OG 2.95Å; R922-I926 VanDerWaalsContact O-CD1 3.32Å; R922-I926 WeakPolarHBondContact O-CD1 3.2Å; R922-I926 VanDerWaalsContact O-CG1 3.32Å; R922-I926 WeakPolarHBondContact O-CG1 3.46Å
923F36.4Very low44.7Very low111 Ų111100.4 Ų100.449%0.48751%0.511SS..Hα-helixtrans-88.4-18.4-171.7-68.3-72000114M919 V920 S925M919-F923 HydrophobicContact CB-CE2 4.45Å; V920-F923 PolarHBondContact O-N 3.01Å; V920-F923 VanDerWaalsContact O-N 3.16Å; F923-S925 VanDerWaalsContact C-N 3.29Å
924N32.1Very low42.1Very low148 Ų148107.4 Ų107.479%0.79155%0.547SS*.SBendtrans-79.2-11.7170.7-73.5-12.1000113.3
925S29.1Very low39.3Very low84 Ų84114.3 Ų114.359%0.58759%0.589SS**SBendtrans-1134.3-172.852.10000114.9N921 R922 F923 P927N921-S925 PolarHBondContact O-OG 3Å; N921-S925 VanDerWaalsContact O-OG 3.08Å; R922-S925 PolarHBondContact O-OG 2.95Å; F923-S925 VanDerWaalsContact C-N 3.29Å; S925-P927 VanDerWaalsContact O-CD 3.32Å; S925-P927 WeakPolarHBondContact O-CD 3.42Å
926I29Very low37Very low107 Ų107117.6 Ų117.655%0.54961%0.609SS.*  trans-100.3105.8176.1-61.3163.2000108.3R922 I928R922-I926 VanDerWaalsContact O-CD1 3.32Å; R922-I926 WeakPolarHBondContact O-CD1 3.2Å; R922-I926 VanDerWaalsContact O-CG1 3.32Å; R922-I926 WeakPolarHBondContact O-CG1 3.46Å; I926-I928 PolarHBondContact O-N 3.21Å
927P27.1Very low34.6Very low91 Ų91122.1 Ų122.159%0.59163%0.633SS**  trans-63.4129.817026.8-29.7000107.9S925 Y929S925-P927 VanDerWaalsContact O-CD 3.32Å; S925-P927 WeakPolarHBondContact O-CD 3.42Å; P927-Y929 HydrophobicContact CG-CD2 4.42Å; P927-Y929 HydrophobicContact CG-CE2 4.22Å; P927-Y929 PolarHBondContact O-N 2.98Å
928I27.1Very low32.6Very low153 Ų153126.2 Ų126.279%0.78566%0.662SS**  trans-59.898.7-178.5-58.6166.2000107.8I926I926-I928 PolarHBondContact O-N 3.21Å
929Y26.9Very low30.8Very low214 Ų214130.7 Ų130.784%0.83969%0.692SS**  trans-88.7121.1163.4-87.6-82.5000108P927P927-Y929 HydrophobicContact CG-CD2 4.42Å; P927-Y929 HydrophobicContact CG-CE2 4.22Å; P927-Y929 PolarHBondContact O-N 2.98Å
930N26.5Very low29.2Very low145 Ų145135.6 Ų135.678%0.77572%0.719SS**  trans-56.6143.1-173.4-75.8-36.8000112.7D932N930-D932 PolarHBondContact O-N 3.4Å
931H26.4Very low27.7Very low179 Ų179136.7 Ų136.783%0.82973%0.73SS**  trans-44120.1163.7-75.1-84.1000111.5
932D25.1Very low26.4Very low155 Ų155139.2 Ų139.283%0.82974%0.737SS**  trans-172.4148132-86.1-27.8000107.6N930N930-D932 PolarHBondContact O-N 3.4Å
933E24.3Very low25.5Very low182 Ų182142 Ų14285%0.8576%0.76SS**  trans85.893.8177.9-51.5-176.6173.300117.1
934L26.8Very low25Very low162 Ų162143.7 Ų143.785%0.84877%0.774SS**  -173.669.6120.9-94.3160.5000110.1
935T22Very low24.7Very low145 Ų145143.6 Ų143.689%0.8978%0.779SS**  trans-80.599.2149.2420000108.4
936S23.8Very low24.6Very low89 Ų89145.7 Ų145.762%0.62279%0.788SS**  trans-163.7100.4155.658.10000110.5
937M18.1Very low25Very low183 Ų183146.1 Ų146.190%0.90180%0.798SS**  trans-55.8149.4157.4-82.2-76.2174.800111.1
938P23.8Very low24.8Very low121 Ų121146.9 Ų146.979%0.78681%0.805SS**  trans-121.8125.4135.628.9-15.4000110.7
939S19.9Very low24.7Very low105 Ų105145 Ų14573%0.73481%0.805SS**  trans-70.8135.8168.548.90000112.1
940L23.7Very low24.5Very low167 Ų167140.1 Ų140.187%0.87480%0.798SS**  trans-155.4121.2147.8-118.4118.3000113
941S23Very low24.4Very low97 Ų97139.7 Ų139.768%0.67880%0.801SS**  trans43109.3149.260.70000122.4
942Q21.4Very low24.3Very low179 Ų179140 Ų14084%0.83680%0.8SS**  trans-7.7121.6135.3-68.4166.4-26.300117.4
943D23.7Very low24.3Very low165 Ų165137.9 Ų137.988%0.88280%0.797SS**  -146.9138.6126.9-103.3-27.3000110.3
944N24.9Very low24.5Very low146 Ų146136.4 Ų136.478%0.78179%0.794SS**  trans-77118.6-166.2-69.7-53.4000113.4
945V26Very low24.6Very low146 Ų146133.9 Ų133.989%0.88579%0.787SS**  trans-152.9126.2137.7-175.10000108.8
946V27Very low25Very low128 Ų128132.6 Ų132.678%0.77677%0.774SS**  trans-119.8150.8-179.1177.10000107.8
947P37.9Very low25.4Very low117 Ų117132 Ų13276%0.7677%0.767SS**  cis-130.2161.2-46.734.7-16.1000111.4
948S23.3Very low26.6Very low106 Ų106127.5 Ų127.574%0.74175%0.746SS**  trans-126.1114.7152.3570000109T950S948-T950 PolarHBondContact O-N 3.11Å
949S23.7Very low27.5Very low113 Ų113126.6 Ų126.679%0.7973%0.733SS**  trans-59.192.1179.150.30000110.5
950T23.9Very low28.4Very low113 Ų113124.9 Ų124.969%0.69372%0.716SS**  trans-94.590.2162.640.60000107.3S948 K952S948-T950 PolarHBondContact O-N 3.11Å; T950-K952 PolarHBondContact O-N 3.25Å
951T23.7Very low28.9Very low135 Ų135121.3 Ų121.383%0.82870%0.697SS**  trans-6383.4168.238.90000108.7S953T951-S953 PolarHBondContact O-N 2.92Å; T951-S953 VanDerWaalsContact O-N 3.08Å
952K24.2Very low29.6Very low185 Ų185121.1 Ų121.180%0.80469%0.686SS**  trans-64.2107164.3-76.3-179.2178.3174.60107T950 I954T950-K952 PolarHBondContact O-N 3.25Å; K952-I954 PolarHBondContact O-N 2.88Å
953S26.1Very low30.4Very low112 Ų112119.3 Ų119.378%0.78368%0.675SS**PPolyproline II helixtrans-56.2116.9173.644.40000109.4T951 P955T951-S953 PolarHBondContact O-N 2.92Å; T951-S953 VanDerWaalsContact O-N 3.08Å; S953-P955 WeakPolarHBondContact O-CD 3.24Å
954I27.6Very low31Very low151 Ų151117.2 Ų117.277%0.77466%0.663SS**PPolyproline II helixtrans-66.9121.9174.5-63.2167000106.7K952 L956K952-I954 PolarHBondContact O-N 2.88Å; I954-L956 PolarHBondContact O-N 2.81Å
955P28.9Very low31.5Very low109 Ų109114.5 Ų114.571%0.70865%0.648SS**PPolyproline II helixtrans-63.6132.6176-13.827.1000109.1S953 T957S953-P955 WeakPolarHBondContact O-CD 3.24Å; P955-T957 PolarHBondContact O-N 2.94Å
956L29.7Very low31.9Very low117 Ų117112.9 Ų112.961%0.61363%0.629SS**  trans-39.5114.5171.1-78139.5000109.8I954 D960I954-L956 PolarHBondContact O-N 2.81Å; L956-D960 HydrophobicContact CB-CB 4.49Å; L956-D960 HydrophobicContact CD2-CB 3.77Å
957T33.7Very low32.2Very low77 Ų77109.2 Ų109.247%0.47262%0.617SS.*  trans-66.5151.9-178.761.80000109.4P955 I959 D960P955-T957 PolarHBondContact O-N 2.94Å; T957-I959 PolarHBondContact O-N 2.9Å; T957-D960 PolarHBondContact O-N 2.99Å
958L42.6Very low31.9Very low88 Ų88111 Ų11146%0.46162%0.615SS.*Hα-helixtrans-46.1-26.3-178.8-175.771.4000114D960 L961 Q962L958-D960 VanDerWaalsContact C-N 3.35Å; L958-L961 PolarHBondContact O-N 3.14Å; L958-Q962 HydrophobicContact CG-CG 4.32Å; L958-Q962 VanDerWaalsContact O-CB 3.32Å; L958-Q962 WeakPolarHBondContact O-CB 3.48Å; L958-Q962 WeakPolarHBondContact O-CG 3.5Å; L958-Q962 PolarHBondContact O-N 3.04Å
959I42.2Very low32.2Very low103 Ų103112.5 Ų112.553%0.52861%0.611SS.*Hα-helixtrans-62.5-40.1176.7-60.3172.5000111.4T957 Q962 K963T957-I959 PolarHBondContact O-N 2.9Å; I959-Q962 PolarHBondContact O-N 3.2Å; I959-K963 HydrophobicContact CG2-CD 4.44Å; I959-K963 WeakPolarHBondContact O-CB 3.3Å; I959-K963 VanDerWaalsContact O-CG 3.31Å; I959-K963 WeakPolarHBondContact O-CG 3.4Å; I959-K963 PolarHBondContact O-N 2.91Å
960D40.1Very low32.3Very low69 Ų69114.3 Ų114.337%0.36960%0.601SS.*Hα-helixtrans-72.4-38.3-179.6-61.5-38000110.9L956 T957 L958 K963 L964L956-D960 HydrophobicContact CB-CB 4.49Å; L956-D960 HydrophobicContact CD2-CB 3.77Å; T957-D960 PolarHBondContact O-N 2.99Å; L958-D960 VanDerWaalsContact C-N 3.35Å; D960-K963 PolarHBondContact O-N 2.93Å; D960-L964 WeakPolarHBondContact O-CB 3.42Å; D960-L964 PolarHBondContact O-N 3.38Å
961L34.2Very low32.4Very low92 Ų92118.2 Ų118.248%0.48261%0.612SS.*Hα-helixtrans-69.1-38.8173.9-113.8160.5000112.1L958 K963 L964 I965L958-L961 PolarHBondContact O-N 3.14Å; L961-K963 VanDerWaalsContact C-N 3.35Å; L961-L964 PolarHBondContact O-N 3.01Å; L961-I965 HydrophobicContact CD2-CD1 4.08Å; L961-I965 HydrophobicContact CD2-CG1 4.49Å; L961-I965 WeakPolarHBondContact O-CB 3.28Å; L961-I965 VanDerWaalsContact O-CG1 3.32Å; L961-I965 WeakPolarHBondContact O-CG1 3.33Å; L961-I965 PolarHBondContact O-N 3.47Å
962Q36.6Very low32.5Very low92 Ų92115.6 Ų115.643%0.4360%0.599SS.*Hα-helixtrans-67.8-33.9172.6-82.1-175.2-6.800111.9L958 I959 L964 K966L958-Q962 HydrophobicContact CG-CG 4.32Å; L958-Q962 VanDerWaalsContact O-CB 3.32Å; L958-Q962 WeakPolarHBondContact O-CB 3.48Å; L958-Q962 WeakPolarHBondContact O-CG 3.5Å; L958-Q962 PolarHBondContact O-N 3.04Å; I959-Q962 PolarHBondContact O-N 3.2Å; Q962-L964 VanDerWaalsContact C-N 3.32Å; Q962-K966 WeakPolarHBondContact O-CA 3.35Å; Q962-K966 WeakPolarHBondContact O-CB 3.37Å; Q962-K966 WeakPolarHBondContact O-CG 3.31Å; Q962-K966 PolarHBondContact O-N 3.07Å
963K39.3Very low32.5Very low141 Ų141114 Ų11461%0.61360%0.599SS**Hα-helixtrans-66-36.7171.2-78.3175.4-179.4177.10111.5I959 D960 L961 G967I959-K963 HydrophobicContact CG2-CD 4.44Å; I959-K963 WeakPolarHBondContact O-CB 3.3Å; I959-K963 VanDerWaalsContact O-CG 3.31Å; I959-K963 WeakPolarHBondContact O-CG 3.4Å; I959-K963 PolarHBondContact O-N 2.91Å; D960-K963 PolarHBondContact O-N 2.93Å; L961-K963 VanDerWaalsContact C-N 3.35Å; K963-G967 PolarHBondContact O-N 2.86Å
964L34.4Very low32.4Very low121 Ų121115 Ų11563%0.63460%0.595SS**Hα-helixtrans-71.2-41178-144152.6000111.9D960 L961 Q962 G967D960-L964 WeakPolarHBondContact O-CB 3.42Å; D960-L964 PolarHBondContact O-N 3.38Å; L961-L964 PolarHBondContact O-N 3.01Å; Q962-L964 VanDerWaalsContact C-N 3.32Å; L964-G967 PolarHBondContact O-N 3.09Å
965I36.6Very low32Very low90 Ų90114.2 Ų114.246%0.46260%0.597SS.*Hα-helixtrans-73.3-38.3175.4-65.8168.1000111.5L961 G967 Q968 Q969L961-I965 HydrophobicContact CD2-CD1 4.08Å; L961-I965 HydrophobicContact CD2-CG1 4.49Å; L961-I965 WeakPolarHBondContact O-CB 3.28Å; L961-I965 VanDerWaalsContact O-CG1 3.32Å; L961-I965 WeakPolarHBondContact O-CG1 3.33Å; L961-I965 PolarHBondContact O-N 3.47Å; I965-G967 PolarHBondContact O-N 3.09Å; I965-Q968 PolarHBondContact O-N 3.31Å; I965-Q969 PolarHBondContact O-N 3.12Å
966K33.6Very low31.9Very low111 Ų111113.6 Ų113.648%0.48359%0.592SS.*Hα-helixtrans-64.3-32.2170.9-75.9177.6177.4-176.70111Q962 Q968 Q969 Y970Q962-K966 WeakPolarHBondContact O-CA 3.35Å; Q962-K966 WeakPolarHBondContact O-CB 3.37Å; Q962-K966 WeakPolarHBondContact O-CG 3.31Å; Q962-K966 PolarHBondContact O-N 3.07Å; K966-Q968 PolarHBondContact O-N 3.5Å; K966-Q969 PolarHBondContact O-N 2.8Å; K966-Y970 HydrophobicContact CB-CD2 4.09Å; K966-Y970 HydrophobicContact CB-CE2 4.11Å; K966-Y970 VanDerWaalsContact O-CD2 3.23Å; K966-Y970 WeakPolarHBondContact O-CD2 3.44Å; K966-Y970 PolarHBondContact O-N 3.37Å
967G33.3Very low31.6Very low52 Ų52111.8 Ų111.854%0.53660%0.601SS.*Hα-helixtrans-59-22.6170.500000114.3K963 L964 I965K963-G967 PolarHBondContact O-N 2.86Å; L964-G967 PolarHBondContact O-N 3.09Å; I965-G967 PolarHBondContact O-N 3.09Å
968Q32.6Very low30.9Very low154 Ų154116 Ų11672%0.7262%0.619SS**Hα-helixtrans-92.1-14.5173.7-70.7-172.6-21.700113.9I965 K966I965-Q968 PolarHBondContact O-N 3.31Å; K966-Q968 PolarHBondContact O-N 3.5Å
969Q28.6Very low29.9Very low138 Ų138116.8 Ų116.865%0.64563%0.632SS**Hα-helixtrans-100.9-13.6175.3-73.3-172.7-26.800113.8I965 K966 Q971 S972I965-Q969 PolarHBondContact O-N 3.12Å; K966-Q969 PolarHBondContact O-N 2.8Å; Q969-Q971 PolarHBondContact O-N 2.78Å; Q969-Q971 VanDerWaalsContact O-N 3.13Å; Q969-S972 PolarHBondContact O-N 3.11Å
970Y26.3Very low28.8Very low150 Ų150120.3 Ų120.359%0.58865%0.646SS**THydrogen-bonded Turntrans-82.129.8176.1-85.7-68.5000115.2K966 L974K966-Y970 HydrophobicContact CB-CD2 4.09Å; K966-Y970 HydrophobicContact CB-CE2 4.11Å; K966-Y970 VanDerWaalsContact O-CD2 3.23Å; K966-Y970 WeakPolarHBondContact O-CD2 3.44Å; K966-Y970 PolarHBondContact O-N 3.37Å; Y970-L974 HydrophobicContact CD1-CD1 3.47Å; Y970-L974 VanDerWaalsContact CD1-CD1 3.47Å; Y970-L974 HydrophobicContact CD1-CG 4.17Å; Y970-L974 HydrophobicContact CE1-CD1 3.67Å; Y970-L974 HydrophobicContact CE1-CG 4.15Å
971Q26.1Very low27.8Very low195 Ų195124.1 Ų124.191%0.91167%0.665SS**THydrogen-bonded Turntrans-114.18159.8-82.1-171.9-18.900114Q969Q969-Q971 PolarHBondContact O-N 2.78Å; Q969-Q971 VanDerWaalsContact O-N 3.13Å
972S26.1Very low27.2Very low81 Ų81128 Ų12857%0.56668%0.681SS**SBendtrans-129.2108.7163.357.70000109.3Q969Q969-S972 PolarHBondContact O-N 3.11Å
973N23.3Very low26.3Very low151 Ų151127.7 Ų127.781%0.80769%0.688SS**  trans92.877.8171.7-51.4-19.7000117.1
974L23.9Very low25.3Very low132 Ų132127 Ų12769%0.69170%0.696SS**  trans-13883.8150.6-97.5164.3000109.2Y970Y970-L974 HydrophobicContact CD1-CD1 3.47Å; Y970-L974 VanDerWaalsContact CD1-CD1 3.47Å; Y970-L974 HydrophobicContact CD1-CG 4.17Å; Y970-L974 HydrophobicContact CE1-CD1 3.67Å; Y970-L974 HydrophobicContact CE1-CG 4.15Å
975T20.9Very low24.6Very low135 Ų135126 Ų12683%0.82870%0.7SS**  trans-13482152.221.80000107.4
976T25.8Very low23.8Very low97 Ų97126.3 Ų126.360%0.59571%0.71SS**  trans-174.5111.4156.834.60000112.1F1011T976-F1011 HydrophobicContact CG2-CD2 4.23Å; T976-F1011 HydrophobicContact CG2-CE1 4.32Å; T976-F1011 HydrophobicContact CG2-CE2 3.12Å; T976-F1011 HydrophobicContact CG2-CZ 3.18Å
977G22.6Very low23.1Very low78 Ų78127.6 Ų127.680%0.80472%0.72SS**  7510111900000120.1
978I19.2Very low22.5Very low166 Ų166133.1 Ų133.185%0.85173%0.732SS**  trans-61.7138166.6-67.1153.5000113.2
979S22.2Very low21.8Very low105 Ų105130.2 Ų130.273%0.73473%0.729SS**  171.3122.3126.837.40000114.8
980Q20.1Very low21.3Very low177 Ų177128.3 Ų128.383%0.82773%0.731SS**  trans44.7113.1140-63.9175.7-1800120.4
981I18.3Very low21.1Very low149 Ų149129.2 Ų129.276%0.76474%0.74SS**  54.1112.587.4-58.1173.2000114
982H20.6Very low20.8Very low174 Ų174127.8 Ų127.881%0.80673%0.734SS**  trans178.9104.3139.8-98.9-68.1000107.8
983S19.3Very low20.5Very low84 Ų84129.1 Ų129.159%0.58774%0.738SS**  83.411490.664.30000115.4
984T17.8Very low20.4Very low126 Ų126129.2 Ų129.277%0.77374%0.739SS**  trans59.8133.9134.456.30000122.4
985S19.1Very low20.2Very low102 Ų102129.8 Ų129.871%0.71374%0.742SS**  trans84.6117.8137.765.50000120.5
986S19.2Very low20.4Very low96 Ų96131.1 Ų131.167%0.67174%0.744SS**  96.8136.4119.474.90000120.3
987I20.8Very low20.1Very low137 Ų137133.3 Ų133.370%0.70375%0.753SS**  trans98.1108140.3-71.5156.7000119
988Q19.5Very low20.2Very low168 Ų168137.2 Ų137.279%0.78576%0.755SS**  68.5117.6127.1-67.7-178.7-28.600122.2
989S18.7Very low20.3Very low94 Ų94136.6 Ų136.666%0.65775%0.753SS**  55.1119.9123.972.50000121.4
990S18.5Very low20.9Very low97 Ų97136.8 Ų136.868%0.67875%0.752SS**  72.5137.9128.268.40000120.8
991Q20.4Very low20.9Very low169 Ų169135 Ų13579%0.7975%0.748SS**  trans77.8107.6160-68.6176.81.200115.4
992Q20.4Very low21.1Very low166 Ų166134.4 Ų134.478%0.77675%0.746SS**  102.5125.169.3-102.6-171.3-15.500110.6
993V19.3Very low21.3Very low108 Ų108133 Ų13366%0.65575%0.745SS**  trans70.5104.3145.2-172.20000116.8
994N22.6Very low21.3Very low154 Ų154136.1 Ų136.182%0.82475%0.754SS**  -150.3114.3114.1-110-17.7000112.3
995N19.3Very low21.3Very low144 Ų144140.5 Ų140.577%0.7776%0.757SS**  trans-62.5131.2158.2-80.2-27.4000108.5
996N24.4Very low21.5Very low162 Ų162141.4 Ų141.487%0.86676%0.758SS**  trans-141.4112.8147.2-99.9-19.5000109.7
997N20.3Very low21.7Very low144 Ų144142.3 Ų142.377%0.7776%0.762SS**  trans-57.6133.9158.5-73.9-30.9000109.6
998N24.3Very low21.5Very low160 Ų160141.1 Ų141.186%0.85676%0.764SS**  173.9124.7122.9-86.6-21.6000110.9
999N22Very low21.7Very low153 Ų153141.1 Ų141.182%0.81876%0.764SS**  trans-22.7170.3152.1-88.9-15.6000118.2
1000P34Very low22Very low108 Ų108144.5 Ų144.570%0.70177%0.77SS**  cis-138.6169.3-9.129.1-6.2000116.1
1001N21.1Very low22.1Very low140 Ų140148 Ų14875%0.74977%0.773SS**  trans26.4128.3141.9-74.1-13.1000123.2
1002N21.5Very low22.2Very low136 Ų136150.8 Ų150.873%0.72778%0.776SS**  72124.6127.6-72.2-7.3000122.5
1003N24.6Very low22.3Very low146 Ų146152.1 Ų152.178%0.78178%0.782SS**  trans110.593.4150.3-59.5-19.3000112.5
1004L18.7Very low22.5Very low149 Ų149152.2 Ų152.278%0.7879%0.788SS**  49.7106.173.4-125.489.5000112.2
1005W19.4Very low22.5Very low218 Ų218153.9 Ų153.983%0.82679%0.791SS**  trans99.6100.4168.4-63.284.8000119.2
1006T22.2Very low22.9Very low120 Ų120151.4 Ų151.474%0.73679%0.791SS**  trans65.4133.414352.80000118.5
1007P22.7Very low22.7Very low116 Ų116151.2 Ų151.275%0.75379%0.785SS**  -152.1176.967.837.4-15.5000116.5
1008C18.1Very low22.8Very low112 Ų112151.3 Ų151.376%0.75778%0.78SS**  trans17.8132.9148.3-57.50000119.4
1009Q23.1Very low22.7Very low168 Ų168149.9 Ų149.979%0.78577%0.773SS**  169.3144.9115.4-93.8172.51600114.5
1010Q24.5Very low22.5Very low164 Ų164151 Ų15177%0.76677%0.773SS**  trans8079.3149.4-68.9166.213.600119.1
1011F21.1Very low21.9Very low170 Ų170152.3 Ų152.375%0.74678%0.779SS**  trans-106.2134.5133.3-105.1-96.4000110.2T976T976-F1011 HydrophobicContact CG2-CD2 4.23Å; T976-F1011 HydrophobicContact CG2-CE1 4.32Å; T976-F1011 HydrophobicContact CG2-CE2 3.12Å; T976-F1011 HydrophobicContact CG2-CZ 3.18Å
1012R22.4Very low21.7Very low229 Ų229152.8 Ų152.886%0.86478%0.78SS**  trans-51.3140.5-168.2-63.5172.7-172.7168.21.1114.3
1013Q22.2Very low21.8Very low193 Ų193157 Ų15790%0.90279%0.787SS**  51.683.969.8-81.5-168.76.800115.7
1014S24.6Very low21.4Very low110 Ų110159.9 Ų159.977%0.76979%0.789SS**  trans-168.782.9137.554.10000107.3
1015Q21.2Very low21.9Very low189 Ų189157.6 Ų157.688%0.88379%0.785SS**  5793.1107.5-71.5-165.19.900115.4
1016A28.1Very low22.3Very low93 Ų93152.3 Ų152.377%0.76978%0.779SS**  trans-161.392.8130.800000104.7
1017Q21.1Very low22.1Very low158 Ų158153.9 Ų153.974%0.73878%0.782SS**  38.4126.595.4-67.7-171.6-900112
1018Q20.9Very low22Very low145 Ų145154.3 Ų154.368%0.67878%0.778SS**  cis-178.3161.110.3-115.21751.700105.2
1019N23Very low22Very low131 Ų131156.7 Ų156.770%0.70178%0.777SS**  trans79.2103.4161.5-51.6-23000116.2
1020Q18.6Very low22Very low177 Ų177154.1 Ų154.183%0.82777%0.773SS**  44.710976.5-64.2-175.2-500113.2
1021T21.4Very low21.8Very low135 Ų135154.9 Ų154.983%0.82878%0.777SS**  -179.1136.6115.427.50000112
1022I17.1Very low22Very low150 Ų150151.8 Ų151.877%0.76978%0.776SS**  trans-69.8134.6169.3-67154.6000108.8
1023Y22.1Very low22Very low223 Ų223147 Ų14788%0.87577%0.772SS**  trans-147.8118151.2-98.1-78.3000110.8
1024Y17.5Very low22.1Very low207 Ų207145.4 Ų145.481%0.81277%0.769SS**  trans-74.6136.7157.7-97.7-93.9000109.4
1025S28.1Very low22.2Very low101 Ų101144.9 Ų144.971%0.70676%0.762SS**  trans45.7142.3147.859.40000119.7
1026P27.5Very low22.4Very low107 Ų107142.4 Ų142.470%0.69576%0.755SS**  -162.5174.17644.1-23.2000119.5
1027L19.7Very low22.3Very low153 Ų153143.9 Ų143.980%0.80174%0.741SS**  trans69.6145.1150.3-93.695.7000118.6
1028L19.2Very low22.6Very low126 Ų126142 Ų14266%0.6673%0.733SS**  cis177148-23.6-134.9109.5000103.2
1029Q19.7Very low22.8Very low161 Ų161140.3 Ų140.375%0.75272%0.721SS**  trans70.3111.3158.9-56.2169.2-8.800116
1030T21.8Very low22.9Very low114 Ų114135.5 Ų135.570%0.69970%0.699SS**  -173.1137.370.132.90000110.8
1031Q21.2Very low23.3Very low181 Ų181132.5 Ų132.585%0.84669%0.689SS**  trans51100.7137.1-60.3175.4-9.600118.7
1032S25.4Very low23.4Very low104 Ų104127.3 Ų127.373%0.72766%0.658SS**  -172.3121.2103.736.10000108.1L1034S1032-L1034 PolarHBondContact O-N 3.04Å
1033T22.8Very low24.1Very low128 Ų128123 Ų12379%0.78563%0.632SS**  trans-47.9106.1164.843.60000108.5T1035T1033-T1035 PolarHBondContact O-N 2.93Å
1034L23.6Very low24.4Very low160 Ų160115.1 Ų115.184%0.83861%0.605SS**  trans-58.5109.5167.9-94.794.6000107S1032 N1036S1032-L1034 PolarHBondContact O-N 3.04Å; L1034-N1036 PolarHBondContact O-N 3.46Å
1035T25.8Very low25Very low99 Ų99108 Ų10861%0.60758%0.583SS**  trans-68.3108.8-173.339.20000109.9T1033 Y1037T1033-T1035 PolarHBondContact O-N 2.93Å; T1035-Y1037 HydrophobicContact CG2-CD2 4.26Å; T1035-Y1037 PolarHBondContact O-N 2.78Å
1036N26.2Very low25.2Very low138 Ų138103.2 Ų103.274%0.73855%0.55SS**  trans-62.529.6174.5-78.4-36.1000114.9L1034L1034-N1036 PolarHBondContact O-N 3.46Å
1037Y26.5Very low25.3Very low123 Ų12399.7 Ų99.748%0.48253%0.527SS..  trans-104.7-1.5-164.3-78.3-85.5000115.3T1035 Y1039T1035-Y1037 HydrophobicContact CG2-CD2 4.26Å; T1035-Y1037 PolarHBondContact O-N 2.78Å; Y1037-Y1039 PolarHBondContact O-N 3.46Å
1038E27Very low25.6Very low120 Ų12093 Ų9356%0.56149%0.493SS*.G310 helixtrans-78.3-17.8-174-70.7-174.8159.600114.3A1040 C1042E1038-A1040 VanDerWaalsContact C-N 3.34Å; E1038-A1040 PolarHBondContact O-N 2.97Å; E1038-C1042 PolarHBondContact O-SG 3.5Å
1039Y25.8Very low26.1Very low109 Ų10989.2 Ų89.243%0.42748%0.476SS..G310 helixtrans-77.5-11.7-173.2-79.9-81.6000115.8Y1037 W1043Y1037-Y1039 PolarHBondContact O-N 3.46Å; Y1039-W1043 VanDerWaalsContact O-CD1 3.25Å; Y1039-W1043 PolarHBondContact O-NE1 2.96Å
1040A23.5Very low26.5Very low29 Ų2982.2 Ų82.224%0.2444%0.444CS..G310 helixtrans-101.2-13.1-164.200000116.8F24 E1038F24-A1040 HydrophobicContact CD2-CB 4.13Å; F24-A1040 HydrophobicContact CE1-CB 4.41Å; F24-A1040 HydrophobicContact CE2-CB 3.02Å; F24-A1040 HydrophobicContact CZ-CB 3.21Å; E1038-A1040 VanDerWaalsContact C-N 3.34Å; E1038-A1040 PolarHBondContact O-N 2.97Å
1041N27Very low27Very low114 Ų11477.5 Ų77.561%0.6142%0.415SS*.SBendtrans-107.210.9176.4-100.432000114.1K22K22-N1041 VanDerWaalsContact CE-CB 3.42Å; K22-N1041 WeakPolarHBondContact CE-ND2 3.26Å; K22-N1041 WeakPolarHBondContact CE-OD1 3.27Å; K22-N1041 PolarHBondContact NZ-ND2 3.44Å
1042C25.1Very low27.3Very low27 Ų2769 Ų6918%0.18238%0.376CS..  trans-104.65.9-167.3-64.40000114.5S402 E1038S402-C1042 VanDerWaalsContact CB-CB 3.48Å; S402-C1042 WeakPolarHBondContact CB-SG 3.31Å; S402-C1042 VanDerWaalsContact OG-CB 3.27Å; S402-C1042 WeakPolarHBondContact OG-CB 3.46Å; E1038-C1042 PolarHBondContact O-SG 3.5Å
1043W30.6Very low27.7Very low60 Ų6064.5 Ų64.523%0.22734%0.344CS..  trans-11476.3-172.7-55.3100.1000109.6A404 M405 H482 Y1039 P1045A404-W1043 HydrophobicContact CB-CH2 4Å; A404-W1043 HydrophobicContact CB-CZ2 4.18Å; M405-W1043 HydrophobicContact CE-CE3 4.33Å; M405-W1043 HydrophobicContact CE-CH2 3.88Å; M405-W1043 HydrophobicContact CE-CZ3 3.45Å; M405-W1043 VanDerWaalsContact CE-CZ3 3.45Å; H482-W1043 HydrophobicContact CB-CE3 3.93Å; H482-W1043 HydrophobicContact CB-CH2 3.16Å; H482-W1043 HydrophobicContact CB-CZ2 3.93Å; H482-W1043 HydrophobicContact CB-CZ3 3.12Å; H482-W1043 AromaticContact CD2-CH2 3.11Å; H482-W1043 WeakPolarHBondContact CD2-CH2 3.47Å; H482-W1043 AromaticContact CD2-CZ2 3.54Å; H482-W1043 AromaticContact CE1-CH2 3.86Å; H482-W1043 AromaticContact CE1-CZ2 3.45Å; H482-W1043 VanDerWaalsContact CE1-CZ2 3.45Å; H482-W1043 WeakPolarHBondContact CE1-CZ2 3.49Å; H482-W1043 AromaticContact CG-CH2 2.97Å; H482-W1043 AromaticContact CG-CZ2 3.35Å; H482-W1043 AromaticContact CG-CZ3 3.56Å; H482-W1043 AromaticContact ND1-CE2 3.97Å; H482-W1043 AromaticContact ND1-CH2 3.49Å; H482-W1043 WeakPolarHBondContact ND1-CH2 3.37Å; H482-W1043 AromaticContact ND1-CZ2 3.3Å; H482-W1043 VanDerWaalsContact ND1-CZ2 3.3Å; H482-W1043 WeakPolarHBondContact ND1-CZ2 3.35Å; H482-W1043 AromaticContact NE2-CH2 3.69Å; H482-W1043 AromaticContact NE2-CZ2 3.6Å; Y1039-W1043 VanDerWaalsContact O-CD1 3.25Å; Y1039-W1043 PolarHBondContact O-NE1 2.96Å; W1043-P1045 VanDerWaalsContact O-CD 3.31Å; W1043-P1045 WeakPolarHBondContact O-CD 3.38Å
1044D28.9Very low28.4Very low57 Ų5758.5 Ų58.531%0.30531%0.307SS..  trans-92.2110.3161.6-152.7-1.9000106.9S1046 T1047D1044-S1046 VanDerWaalsContact CB-OG 3.31Å; D1044-S1046 WeakPolarHBondContact CB-OG 3.3Å; D1044-S1046 PolarHBondContact O-N 3.32Å; D1044-S1046 VanDerWaalsContact OD1-CB 3.31Å; D1044-S1046 WeakPolarHBondContact OD1-CB 3.49Å; D1044-S1046 PolarHBondContact OD1-N 3.47Å; D1044-S1046 PolarHBondContact OD1-OG 2.82Å; D1044-S1046 WeakPolarHBondContact OD2-CB 3.48Å; D1044-S1046 PolarHBondContact OD2-OG 2.88Å; D1044-T1047 PolarHBondContact O-OG1 3.38Å
1045P28.7Very low28.9Very low56 Ų5651.7 Ų51.736%0.36427%0.272SS..THydrogen-bonded Turntrans-64.412165.226.1-31000112.5R202 W1043R202-P1045 HydrophobicContact CG-CG 4.46Å; W1043-P1045 VanDerWaalsContact O-CD 3.31Å; W1043-P1045 WeakPolarHBondContact O-CD 3.38Å
1046S33Very low29.1Very low1 Ų147.3 Ų47.31%0.00725%0.246CC..THydrogen-bonded Turntrans-75.4-27177.171.70000114.3W365 D1044 P1048W365-S1046 VanDerWaalsContact CE3-CA 3.44Å; D1044-S1046 VanDerWaalsContact CB-OG 3.31Å; D1044-S1046 WeakPolarHBondContact CB-OG 3.3Å; D1044-S1046 PolarHBondContact O-N 3.32Å; D1044-S1046 VanDerWaalsContact OD1-CB 3.31Å; D1044-S1046 WeakPolarHBondContact OD1-CB 3.49Å; D1044-S1046 PolarHBondContact OD1-N 3.47Å; D1044-S1046 PolarHBondContact OD1-OG 2.82Å; D1044-S1046 WeakPolarHBondContact OD2-CB 3.48Å; D1044-S1046 PolarHBondContact OD2-OG 2.88Å; S1046-P1048 WeakPolarHBondContact O-CD 3.49Å
1047T29.3Very low29.2Very low33 Ų3343.2 Ų43.220%0.20222%0.224CC..SBendtrans-78.7118.6170.639.20000107.4C366 D1044 P1049C366-T1047 WeakPolarHBondContact O-CG2 3.27Å; D1044-T1047 PolarHBondContact O-OG1 3.38Å; T1047-P1049 WeakPolarHBondContact O-CD 3.44Å
1048P27.6Very low29.5Very low14 Ų1437.5 Ų37.59%0.09120%0.202CC..PPolyproline II helixtrans-53.8122.1161.122.8-29.4000105.7L280 Y281 S1046 T1050L280-P1048 HydrophobicContact CD1-CG 3.93Å; Y281-P1048 HydrophobicContact CE2-CB 4.33Å; S1046-P1048 WeakPolarHBondContact O-CD 3.49Å; P1048-T1050 PolarHBondContact O-N 3.38Å
1049P28.6Very low29.9Very low46 Ų4632 Ų3230%0.29918%0.176SC..PPolyproline II helixtrans-51.7126.7172.421-30.1000105.8T1047 T1051T1047-P1049 WeakPolarHBondContact O-CD 3.44Å; P1049-T1051 PolarHBondContact O-N 3.07Å
1050T28Very low30.2Very low14 Ų1430.5 Ų30.59%0.08618%0.175CC..  trans-71.356.6-171.741.60000110.9S370 F373 I412 P1048 G1052S370-T1050 VanDerWaalsContact CA-CG2 3.46Å; F373-T1050 VanDerWaalsContact CD2-CB 3.49Å; F373-T1050 HydrophobicContact CD2-CG2 3.7Å; F373-T1050 HydrophobicContact CE2-CG2 3.99Å; I412-T1050 WeakPolarHBondContact CD1-O 3.42Å; I412-T1050 WeakPolarHBondContact CD1-OG1 3.36Å; I412-T1050 VanDerWaalsContact CG2-O 3.28Å; I412-T1050 WeakPolarHBondContact CG2-O 3.11Å; P1048-T1050 PolarHBondContact O-N 3.38Å; T1050-G1052 PolarHBondContact O-N 3.09Å
1051T32.6Very low30.6Very low14 Ų1429.5 Ų29.59%0.08617%0.166CC..  trans-76.456.6163.359.20000109.2R284 E488 P1049 I1053R284-T1051 PolarHBondContact NH2-OG1 2.66Å; E488-T1051 WeakPolarHBondContact OE1-CG2 3.33Å; P1049-T1051 PolarHBondContact O-N 3.07Å; T1051-I1053 HydrophobicContact CG2-CD1 3.92Å; T1051-I1053 HydrophobicContact CG2-CG1 4.16Å; T1051-I1053 PolarHBondContact O-N 2.88Å
1052G26.5Very low30.8Very low4 Ų424.5 Ų24.54%0.04114%0.138CC..  trans-72.949.6148.100000108.1N416 T1050 I1054N416-G1052 PolarHBondContact ND2-O 2.64Å; N416-G1052 PolarHBondContact OD1-O 3.12Å; T1050-G1052 PolarHBondContact O-N 3.09Å; G1052-I1054 PolarHBondContact O-N 3.05Å
1053I33.8Very low30.9Very low8 Ų825 Ų254%0.04114%0.141CC..  trans-63123.9172-56.9171.3000103.1N416 L419 E488 E491 T1051 T1055N416-I1053 VanDerWaalsContact OD1-CA 3.24Å; N416-I1053 WeakPolarHBondContact OD1-CA 3.5Å; L419-I1053 HydrophobicContact CD1-CG2 4.16Å; E488-I1053 VanDerWaalsContact OE2-CD1 3.23Å; E488-I1053 WeakPolarHBondContact OE2-CD1 3.36Å; E491-I1053 WeakPolarHBondContact OE2-CD1 3.46Å; T1051-I1053 HydrophobicContact CG2-CD1 3.92Å; T1051-I1053 HydrophobicContact CG2-CG1 4.16Å; T1051-I1053 PolarHBondContact O-N 2.88Å; I1053-T1055 HydrophobicContact CB-CG2 3.53Å; I1053-T1055 HydrophobicContact CG2-CG2 3.64Å; I1053-T1055 WeakPolarHBondContact O-CG2 3.43Å; I1053-T1055 PolarHBondContact O-N 3.49Å
1054I38Very low30.7Very low3 Ų323.8 Ų23.82%0.01514%0.141CC..  trans-65.478.9155.6-69.5168.2000103.7F380 N416 L419 I420 G1052F380-I1054 HydrophobicContact CB-CD1 3.8Å; F380-I1054 HydrophobicContact CB-CG1 4.13Å; F380-I1054 HydrophobicContact CD1-CB 4.39Å; F380-I1054 HydrophobicContact CD1-CD1 4.5Å; F380-I1054 HydrophobicContact CD1-CG1 4.2Å; F380-I1054 HydrophobicContact CD1-CG2 3.42Å; F380-I1054 VanDerWaalsContact CD1-CG2 3.42Å; F380-I1054 HydrophobicContact CD2-CD1 3.95Å; F380-I1054 HydrophobicContact CD2-CG1 4.48Å; F380-I1054 HydrophobicContact CD2-CG2 3.76Å; F380-I1054 HydrophobicContact CE1-CG2 3.4Å; F380-I1054 HydrophobicContact CE2-CG2 3.71Å; F380-I1054 HydrophobicContact CG-CB 4.45Å; F380-I1054 HydrophobicContact CG-CD1 3.78Å; F380-I1054 HydrophobicContact CG-CG1 3.97Å; F380-I1054 HydrophobicContact CG-CG2 3.64Å; F380-I1054 HydrophobicContact CZ-CG2 3.58Å; N416-I1054 HydrophobicContact CB-CD1 4.4Å; N416-I1054 PolarHBondContact OD1-N 3.21Å; L419-I1054 HydrophobicContact CB-CB 4.36Å; L419-I1054 HydrophobicContact CB-CG2 4.13Å; L419-I1054 WeakPolarHBondContact CD1-O 3.46Å; I420-I1054 HydrophobicContact CD1-CD1 3.54Å; I420-I1054 HydrophobicContact CG1-CD1 3.35Å; G1052-I1054 PolarHBondContact O-N 3.05Å
1055T35.3Very low30.6Very low16 Ų1624 Ų2410%0.09814%0.142CC..  trans-63.1162.2-172.556.20000108.1P645 I1053 N1057P645-T1055 HydrophobicContact CB-CG2 4.45Å; P645-T1055 HydrophobicContact CG-CG2 3.19Å; I1053-T1055 HydrophobicContact CB-CG2 3.53Å; I1053-T1055 HydrophobicContact CG2-CG2 3.64Å; I1053-T1055 WeakPolarHBondContact O-CG2 3.43Å; I1053-T1055 PolarHBondContact O-N 3.49Å; T1055-N1057 PolarHBondContact O-N 3.49Å
1056A29.1Very low30.7Very low7 Ų722.5 Ų22.56%0.05813%0.131CC..G310 helixtrans-61.833.8-179.300000115.1N1058 E1059A1056-N1058 PolarHBondContact O-N 3.28Å; A1056-E1059 HydrophobicContact CB-CG 4.09Å; A1056-E1059 PolarHBondContact O-N 3.07Å
1057N29.1Very low30.6Very low52 Ų5223.6 Ų23.628%0.27814%0.138SC..G310 helixtrans-43.6-22.3144.3-88.5-1.1000111.8T646 T1055 E1059T646-N1057 VanDerWaalsContact CB-OD1 3.28Å; T646-N1057 WeakPolarHBondContact CB-OD1 3.27Å; T646-N1057 WeakPolarHBondContact CG2-OD1 3.33Å; T646-N1057 PolarHBondContact OG1-OD1 2.99Å; T1055-N1057 PolarHBondContact O-N 3.49Å; N1057-E1059 PolarHBondContact O-N 3Å
1058N31.7Very low30.6Very low3 Ų323.1 Ų23.12%0.01613%0.134CC..G310 helixtrans-57.2-16.6170.8-68.60.5000115.6F380 L419 R423 A1056 N1060 D1061F380-N1058 WeakPolarHBondContact CZ-OD1 3.44Å; L419-N1058 WeakPolarHBondContact CB-ND2 3.37Å; L419-N1058 PolarHBondContact O-ND2 3.15Å; L419-N1058 VanDerWaalsContact O-ND2 3.09Å; R423-N1058 WeakPolarHBondContact CD-OD1 3.28Å; R423-N1058 HydrophobicContact CG-CB 3.91Å; R423-N1058 VanDerWaalsContact CG-ND2 3.34Å; R423-N1058 WeakPolarHBondContact CG-ND2 3.44Å; R423-N1058 WeakPolarHBondContact CG-OD1 3.44Å; R423-N1058 PolarHBondContact NE-OD1 3.29Å; R423-N1058 PolarHBondContact NH1-O 3.09Å; R423-N1058 VanDerWaalsContact NH1-O 3.15Å; A1056-N1058 PolarHBondContact O-N 3.28Å; N1058-N1060 PolarHBondContact O-N 3.29Å; N1058-D1061 WeakPolarHBondContact O-CB 3.5Å
1059E36.7Very low30.8Very low6 Ų623.6 Ų23.63%0.02814%0.137CC..G310 helixtrans-92.48.5-171-69.1-167.8117.700115.7Y494 R525 R529 A1056 N1057 D1061Y494-E1059 WeakPolarHBondContact CE1-OE1 3.27Å; Y494-E1059 VanDerWaalsContact CZ-OE1 3.25Å; Y494-E1059 VanDerWaalsContact OH-CD 3.23Å; Y494-E1059 PolarHBondContact OH-OE1 3.48Å; Y494-E1059 PolarHBondContact OH-OE2 2.72Å; R525-E1059 WeakPolarHBondContact CD-OE2 3.35Å; R525-E1059 IonicContact CZ-OE2 2.66Å; R525-E1059 IonicContact NE-OE2 3.57Å; R525-E1059 IonicContact NH1-OE2 3.82Å; R525-E1059 PolarHBondContact NH1-OE2 3.28Å; R529-E1059 IonicContact CZ-OE1 2.93Å; R529-E1059 IonicContact NE-OE1 2.79Å; R529-E1059 PolarHBondContact NE-OE1 2.98Å; R529-E1059 IonicContact NH2-OE1 3.88Å; R529-E1059 PolarHBondContact NH2-OE1 3.07Å; A1056-E1059 HydrophobicContact CB-CG 4.09Å; A1056-E1059 PolarHBondContact O-N 3.07Å; N1057-E1059 PolarHBondContact O-N 3Å; E1059-D1061 PolarHBondContact O-N 2.63Å
1060N30.5Very low30.9Very low76 Ų7622.2 Ų22.241%0.40613%0.127SC..  trans-70.243.6151.5-68.2-24.3000109.7F769 N1058F769-N1060 WeakPolarHBondContact CD2-O 3.36Å; F769-N1060 VanDerWaalsContact CE2-C 3.41Å; F769-N1060 WeakPolarHBondContact CE2-O 3.38Å; F769-N1060 HydrophobicContact CZ-CB 4.34Å; F769-N1060 WeakPolarHBondContact CZ-O 3.46Å; N1058-N1060 PolarHBondContact O-N 3.29Å
1061D31.9Very low31.1Very low8 Ų822.7 Ų22.74%0.04313%0.129CC..  trans-123.394176.3-78-20.3000106.1R423 N1058 E1059R423-D1061 VanDerWaalsContact CD-OD2 3.24Å; R423-D1061 WeakPolarHBondContact CD-OD2 3.29Å; R423-D1061 IonicContact CZ-OD1 2.72Å; R423-D1061 IonicContact CZ-OD2 3.19Å; R423-D1061 IonicContact NE-OD2 2.58Å; R423-D1061 IonicContact NH1-OD1 2.85Å; R423-D1061 PolarHBondContact NH1-OD1 3.32Å; R423-D1061 IonicContact NH1-OD2 2.98Å; R423-D1061 PolarHBondContact NH1-OD2 3.41Å; N1058-D1061 WeakPolarHBondContact O-CB 3.5Å; E1059-D1061 PolarHBondContact O-N 2.63Å
1062W32.6Very low31Very low9 Ų923.4 Ų23.43%0.03413%0.133CC..PPolyproline II helixtrans-83127.1166-58.5117.9000107.5F528 F656 A659 L768 F769F528-W1062 AromaticContact CD1-CZ3 3.85Å; F528-W1062 HydrophobicContact CD1-CZ3 3.85Å; F528-W1062 AromaticContact CE1-CE3 3.71Å; F528-W1062 HydrophobicContact CE1-CE3 3.71Å; F528-W1062 HydrophobicContact CE1-CH2 4.42Å; F528-W1062 AromaticContact CE1-CZ3 3.26Å; F528-W1062 HydrophobicContact CE1-CZ3 3.26Å; F528-W1062 HydrophobicContact CE2-CZ3 4.04Å; F528-W1062 HydrophobicContact CG-CZ3 4.46Å; F528-W1062 AromaticContact CZ-CE3 3.74Å; F528-W1062 HydrophobicContact CZ-CE3 3.74Å; F528-W1062 AromaticContact CZ-CZ3 3.38Å; F528-W1062 HydrophobicContact CZ-CZ3 3.38Å; F656-W1062 VanDerWaalsContact CA-CH2 3.49Å; F656-W1062 HydrophobicContact CB-CH2 3.82Å; F656-W1062 HydrophobicContact CB-CZ2 3.71Å; F656-W1062 AromaticContact CD2-CH2 3.23Å; F656-W1062 HydrophobicContact CD2-CH2 3.23Å; F656-W1062 AromaticContact CD2-CZ2 3.82Å; F656-W1062 HydrophobicContact CD2-CZ2 3.82Å; F656-W1062 HydrophobicContact CD2-CZ3 4.29Å; F656-W1062 AromaticContact CE2-CH2 3.73Å; F656-W1062 HydrophobicContact CE2-CH2 3.73Å; F656-W1062 HydrophobicContact CE2-CZ3 4.42Å; F656-W1062 AromaticContact CG-CH2 3.64Å; F656-W1062 HydrophobicContact CG-CH2 3.64Å; F656-W1062 HydrophobicContact CG-CZ2 4.06Å; A659-W1062 HydrophobicContact CB-CD2 3.44Å; A659-W1062 VanDerWaalsContact CB-CD2 3.44Å; A659-W1062 HydrophobicContact CB-CE3 3.28Å; A659-W1062 HydrophobicContact CB-CG 4.14Å; A659-W1062 HydrophobicContact CB-CH2 3.67Å; A659-W1062 HydrophobicContact CB-CZ2 3.94Å; A659-W1062 HydrophobicContact CB-CZ3 3.34Å; L768-W1062 VanDerWaalsContact CD1-O 3.3Å; L768-W1062 WeakPolarHBondContact CD1-O 3.47Å; F769-W1062 AromaticContact CE1-CD1 3.11Å; F769-W1062 HydrophobicContact CE1-CG 4.25Å; F769-W1062 AromaticContact CE1-NE1 3.23Å; F769-W1062 HydrophobicContact CE2-CB 4.46Å; F769-W1062 AromaticContact CE2-CD1 3.87Å; F769-W1062 HydrophobicContact CE2-CG 4.41Å; F769-W1062 HydrophobicContact CZ-CB 4.17Å; F769-W1062 AromaticContact CZ-CD1 2.89Å; F769-W1062 AromaticContact CZ-CG 3.67Å; F769-W1062 HydrophobicContact CZ-CG 3.67Å; F769-W1062 AromaticContact CZ-NE1 3.3Å; F769-W1062 VanDerWaalsContact CZ-NE1 3.3Å
1063P27Very low31.4Very low37 Ų3724.8 Ų24.824%0.2414%0.14CC..PPolyproline II helixtrans-65.1155.9175.828.1-33.6000111F502 E532 M765 L1065F502-P1063 HydrophobicContact CE1-CB 4.37Å; F502-P1063 HydrophobicContact CZ-CB 4.48Å; E532-P1063 WeakPolarHBondContact OE1-CD 3.46Å; E532-P1063 WeakPolarHBondContact OE1-CG 3.4Å; M765-P1063 HydrophobicContact CE-CB 3.89Å; P1063-L1065 PolarHBondContact O-N 3.38Å
1064P25.4Very low31.2Very low35 Ų3526.3 Ų26.323%0.22715%0.148CC..PPolyproline II helixtrans-65.3125.9158.924.7-22.2000108M765 L768M765-P1064 HydrophobicContact CE-CG 4.23Å; L768-P1064 HydrophobicContact CD1-CB 3.85Å; L768-P1064 HydrophobicContact CD1-CG 4.05Å
1065L27Very low30.6Very low63 Ų6328.4 Ų28.433%0.3316%0.16SC..  trans-770162.9-94157.2000109.7I535 N542 V662 L721 P1063I535-L1065 HydrophobicContact CG2-CD2 3.91Å; N542-L1065 PolarHBondContact ND2-OXT 3.09Å; V662-L1065 HydrophobicContact CG1-CD1 3.84Å; L721-L1065 HydrophobicContact CD1-CB 4.27Å; P1063-L1065 PolarHBondContact O-N 3.38Å

Retrieved 1,065 of 1,065 residues in 1532.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).