A0A087WSM1_MOUSE Loading...

Islet cell autoantigen 1-like

AlphaFold DB , UniProt , Accession A0A087WSM1, Species MOUSE (Mus musculus, Mouse), Gene Ica1l, Length 439 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M40.2Very low38.5Very low206 Ų206126.7 Ų126.7100%1.01566%0.66SS**  0-23.70-76.51609000111.6S3 S4M1-S3 VanDerWaalsContact C-N 3.27Å; M1-S3 PolarHBondContact O-N 3.47Å; M1-S4 PolarHBondContact O-N 3.48Å; M1-S4 VanDerWaalsContact O-N 3.14Å
2D38.6Very low39.3Very low118 Ų118128 Ų12863%0.63167%0.668SS**THydrogen-bonded Turntrans-5.7-54161.4-43.244.3000117.4S4 E5 Q6D2-S4 PolarHBondContact O-N 3.13Å; D2-E5 PolarHBondContact O-N 2.93Å; D2-Q6 PolarHBondContact O-N 2.83Å
3S35Very low40.9Very low95 Ų95123.6 Ų123.666%0.66464%0.642SS**Hα-helixtrans-55.5-30.1-176.2-45.80000113.9M1 L7M1-S3 VanDerWaalsContact C-N 3.27Å; M1-S3 PolarHBondContact O-N 3.47Å; S3-L7 WeakPolarHBondContact O-CD1 3.46Å; S3-L7 WeakPolarHBondContact O-CG 3.39Å; S3-L7 PolarHBondContact O-N 3.32Å
4S31.6Very low43.6Very low80 Ų80120.3 Ų120.356%0.55964%0.635SS**Hα-helixtrans-78.6-36.8178.7-1650000112.4M1 D2 R8M1-S4 PolarHBondContact O-N 3.48Å; M1-S4 VanDerWaalsContact O-N 3.14Å; D2-S4 PolarHBondContact O-N 3.13Å; S4-R8 WeakPolarHBondContact O-CG 3.39Å; S4-R8 PolarHBondContact O-N 2.79Å; S4-R8 VanDerWaalsContact O-N 3.14Å
5E36.2Very low46.2Very low144 Ų144119.3 Ų119.367%0.67364%0.636SS**Hα-helixtrans-73.1-37.1179-62.1-175132.700111.2D2 L7 R8 A9D2-E5 PolarHBondContact O-N 2.93Å; E5-L7 PolarHBondContact O-N 3.48Å; E5-R8 PolarHBondContact O-N 2.85Å; E5-A9 PolarHBondContact O-N 3.43Å; E5-A9 VanDerWaalsContact O-N 3.08Å
6Q40.9Very low48.4Very low137 Ų137117.4 Ų117.464%0.6463%0.629SS**Hα-helixtrans-66.5-37177.2-161.6156.717.500112D2 A9 E10D2-Q6 PolarHBondContact O-N 2.83Å; Q6-A9 PolarHBondContact O-N 3.37Å; Q6-E10 PolarHBondContact O-N 3.45Å
7L34.7Very low50.3Low117 Ų117112.8 Ų112.861%0.61361%0.608SS**Hα-helixtrans-63.5-44.1170.1-75.2167.3000112.1S3 E5 A9 E10S3-L7 WeakPolarHBondContact O-CD1 3.46Å; S3-L7 WeakPolarHBondContact O-CG 3.39Å; S3-L7 PolarHBondContact O-N 3.32Å; E5-L7 PolarHBondContact O-N 3.48Å; L7-A9 PolarHBondContact O-N 2.77Å; L7-E10 PolarHBondContact O-N 2.91Å
8R33.8Very low52.2Low192 Ų192112.1 Ų112.173%0.72560%0.595SS**Hα-helixtrans-61.4-24.7176.6-79.5-67.5-161.9169.64.3113.9S4 E5 N12S4-R8 WeakPolarHBondContact O-CG 3.39Å; S4-R8 PolarHBondContact O-N 2.79Å; S4-R8 VanDerWaalsContact O-N 3.14Å; E5-R8 PolarHBondContact O-N 2.85Å; R8-N12 PolarHBondContact O-ND2 3.35Å
9A46.6Very low54.2Low64 Ų64113.3 Ų113.353%0.52960%0.599SS.*Hα-helixtrans-77.1-35.7176.500000113.1E5 Q6 L7E5-A9 PolarHBondContact O-N 3.43Å; E5-A9 VanDerWaalsContact O-N 3.08Å; Q6-A9 PolarHBondContact O-N 3.37Å; L7-A9 PolarHBondContact O-N 2.77Å
10E44.5Very low55.9Low113 Ų113111.9 Ų111.953%0.52859%0.589SS.*Hα-helixtrans-74.4-33.5-174.9-65.9-161.4139.300113.4Q6 L7 N12 Q13 R18Q6-E10 PolarHBondContact O-N 3.45Å; L7-E10 PolarHBondContact O-N 2.91Å; E10-N12 VanDerWaalsContact C-N 3.27Å; E10-N12 PolarHBondContact O-N 3.38Å; E10-Q13 PolarHBondContact O-N 3.04Å; E10-R18 PolarHBondContact O-NH2 2.97Å
11D41.2Very low57.4Low128 Ų128108.6 Ų108.668%0.68457%0.57SS**THydrogen-bonded Turntrans-72.6-14.7179.9-83.2-18.2000114.8Q13 R18D11-Q13 VanDerWaalsContact C-N 3.33Å; D11-R18 IonicContact OD1-NH2 3.14Å; D11-R18 PolarHBondContact OD1-NH2 2.9Å
12N48.5Very low59.7Low142 Ų142102.2 Ų102.276%0.75954%0.54SS*.THydrogen-bonded Turntrans-84.9-3.7173.2-74.1-67.3000113.4R8 E10R8-N12 PolarHBondContact O-ND2 3.35Å; E10-N12 VanDerWaalsContact C-N 3.27Å; E10-N12 PolarHBondContact O-N 3.38Å
13Q59.9Low62.4Low71 Ų71102.8 Ų102.833%0.33253%0.534SS..SBendtrans-83.3124.3173.5-69.7-159.8-7.400112.1E10 D11 V15E10-Q13 PolarHBondContact O-N 3.04Å; D11-Q13 VanDerWaalsContact C-N 3.33Å; Q13-V15 PolarHBondContact O-N 2.74Å
14S78.9Confident65.2Low77 Ų7799 Ų9954%0.53851%0.506SS..  trans-49.9138.2170.4177.10000111.8V16 S17 R18S14-V16 PolarHBondContact O-N 3.22Å; S14-V16 VanDerWaalsContact O-N 3.09Å; S14-S17 WeakPolarHBondContact O-CA 3.32Å; S14-S17 VanDerWaalsContact O-CB 3.31Å; S14-S17 WeakPolarHBondContact O-CB 3.4Å; S14-S17 PolarHBondContact O-N 3.03Å; S14-R18 PolarHBondContact O-N 3.14Å
15V82.7Confident68.1Low106 Ų10698.3 Ų98.364%0.64249%0.49SS*.Hα-helixtrans-51.5-36.6178.9-179.60000112Q13 R18 M19Q13-V15 PolarHBondContact O-N 2.74Å; V15-R18 PolarHBondContact O-N 3.02Å; V15-M19 WeakPolarHBondContact O-CB 3.23Å; V15-M19 WeakPolarHBondContact O-CG 3.31Å; V15-M19 PolarHBondContact O-N 3.14Å
16V81.3Confident70.8Confident88 Ų8895.9 Ų95.953%0.53349%0.486SS..Hα-helixtrans-63.8-43176.3-178.40000111.5S14 M19 Q20S14-V16 PolarHBondContact O-N 3.22Å; S14-V16 VanDerWaalsContact O-N 3.09Å; V16-M19 PolarHBondContact O-N 3.1Å; V16-Q20 VanDerWaalsContact O-CG 3.32Å; V16-Q20 WeakPolarHBondContact O-CG 3.32Å; V16-Q20 PolarHBondContact O-N 3.33Å
17S80.8Confident73.2Confident39 Ų3992.4 Ų92.427%0.27347%0.468SS..Hα-helixtrans-65.5-39.5176.2-168.10000111.5S14 Q20 K21S14-S17 WeakPolarHBondContact O-CA 3.32Å; S14-S17 VanDerWaalsContact O-CB 3.31Å; S14-S17 WeakPolarHBondContact O-CB 3.4Å; S14-S17 PolarHBondContact O-N 3.03Å; S17-Q20 PolarHBondContact O-N 3.49Å; S17-K21 PolarHBondContact O-N 3.32Å
18R85Confident76Confident100 Ų10087.1 Ų87.138%0.37744%0.441SS..Hα-helixtrans-65.3-41.9176.3-159.6-177.1-74.3-172.1-3.4111E10 D11 S14 V15 N22E10-R18 PolarHBondContact O-NH2 2.97Å; D11-R18 IonicContact OD1-NH2 3.14Å; D11-R18 PolarHBondContact OD1-NH2 2.9Å; S14-R18 PolarHBondContact O-N 3.14Å; V15-R18 PolarHBondContact O-N 3.02Å; R18-N22 WeakPolarHBondContact O-CB 3.31Å; R18-N22 VanDerWaalsContact O-CG 3.24Å; R18-N22 PolarHBondContact O-N 3.43Å; R18-N22 VanDerWaalsContact O-N 3.08Å
19M89.2Confident78.8Confident136 Ų13681.7 Ų81.767%0.6743%0.428SS*.Hα-helixtrans-62.7-44.7171.9-81.1-170.2160.800112.6V15 V16 N22 Y23V15-M19 WeakPolarHBondContact O-CB 3.23Å; V15-M19 WeakPolarHBondContact O-CG 3.31Å; V15-M19 PolarHBondContact O-N 3.14Å; V16-M19 PolarHBondContact O-N 3.1Å; M19-N22 PolarHBondContact O-N 3.33Å; M19-Y23 PolarHBondContact O-N 2.93Å
20Q88.4Confident81Confident85 Ų8584.2 Ų84.240%0.39743%0.428SS..Hα-helixtrans-62.7-47.5178.1-74.4173.1-36.900111.8V16 S17 N22 Y23 W24 W165V16-Q20 VanDerWaalsContact O-CG 3.32Å; V16-Q20 WeakPolarHBondContact O-CG 3.32Å; V16-Q20 PolarHBondContact O-N 3.33Å; S17-Q20 PolarHBondContact O-N 3.49Å; Q20-N22 VanDerWaalsContact C-N 3.27Å; Q20-N22 PolarHBondContact O-N 3.42Å; Q20-Y23 PolarHBondContact O-N 3.4Å; Q20-W24 PolarHBondContact O-N 2.9Å; Q20-W165 HydrophobicContact CB-CH2 3.51Å; Q20-W165 HydrophobicContact CB-CZ2 3.59Å; Q20-W165 HydrophobicContact CB-CZ3 4.19Å; Q20-W165 HydrophobicContact CG-CZ2 4.2Å
21K88.2Confident83.2Confident43 Ų4380.2 Ų80.219%0.18741%0.41CS..Hα-helixtrans-55.5-43.5173.8-173.5-175.6177.3-170.50111.4S17 R25 E158S17-K21 PolarHBondContact O-N 3.32Å; K21-R25 WeakPolarHBondContact O-CB 3.21Å; K21-R25 PolarHBondContact O-N 3.08Å; K21-E158 WeakPolarHBondContact CE-OE2 3.46Å; K21-E158 IonicContact NZ-OE2 2.66Å; K21-E158 PolarHBondContact NZ-OE2 3.09Å
22N88.9Confident85.4Confident72 Ų7279.4 Ų79.439%0.38540%0.4SS..Hα-helixtrans-66.2-44.6178.2-73-10.3000112.6R18 M19 Q20 W24 R25 T26R18-N22 WeakPolarHBondContact O-CB 3.31Å; R18-N22 VanDerWaalsContact O-CG 3.24Å; R18-N22 PolarHBondContact O-N 3.43Å; R18-N22 VanDerWaalsContact O-N 3.08Å; M19-N22 PolarHBondContact O-N 3.33Å; Q20-N22 VanDerWaalsContact C-N 3.27Å; Q20-N22 PolarHBondContact O-N 3.42Å; N22-W24 VanDerWaalsContact C-N 3.35Å; N22-W24 PolarHBondContact O-N 3.21Å; N22-R25 PolarHBondContact O-N 3.44Å; N22-R25 PolarHBondContact OD1-NH1 3.04Å; N22-T26 WeakPolarHBondContact O-CB 3.35Å; N22-T26 PolarHBondContact O-N 3.25Å; N22-T26 PolarHBondContact O-OG1 3.19Å; N22-T26 VanDerWaalsContact O-OG1 3.04Å
23Y94.1Very high87.3Confident130 Ų13076.6 Ų76.651%0.5140%0.397SS..Hα-helixtrans-55.6-48.2175.1168.3-93.4000111.5M19 Q20 T26 K27M19-Y23 PolarHBondContact O-N 2.93Å; Q20-Y23 PolarHBondContact O-N 3.4Å; Y23-T26 PolarHBondContact O-N 3.22Å; Y23-K27 HydrophobicContact CE1-CD 3.69Å; Y23-K27 WeakPolarHBondContact O-CB 3.33Å; Y23-K27 PolarHBondContact O-N 3.21Å; Y23-K27 PolarHBondContact OH-NZ 3.04Å
24W93.7Very high88.7Confident16 Ų1676.2 Ų76.26%0.06140%0.399CS..Hα-helixtrans-69.4-37.3-178.7-74.4110.3000113.4Q20 N22 K27 Q28 L164 W165 D168Q20-W24 PolarHBondContact O-N 2.9Å; N22-W24 VanDerWaalsContact C-N 3.35Å; N22-W24 PolarHBondContact O-N 3.21Å; W24-K27 HydrophobicContact CE3-CD 3.77Å; W24-K27 HydrophobicContact CH2-CD 4.17Å; W24-K27 HydrophobicContact CZ3-CD 3.56Å; W24-K27 VanDerWaalsContact CZ3-NZ 3.26Å; W24-K27 PolarHBondContact O-N 3.4Å; W24-Q28 PolarHBondContact O-N 3Å; W24-L164 HydrophobicContact CE3-CB 3.79Å; W24-L164 HydrophobicContact CZ3-CB 3.82Å; W24-W165 HydrophobicContact CB-CB 4.27Å; W24-W165 AromaticContact CD1-CD1 3.72Å; W24-W165 AromaticContact CD1-CD2 3.4Å; W24-W165 AromaticContact CD1-CE2 3.91Å; W24-W165 AromaticContact CD1-CE3 3.83Å; W24-W165 AromaticContact CD1-CG 3.3Å; W24-W165 HydrophobicContact CD2-CB 3.66Å; W24-W165 HydrophobicContact CD2-CG 4.04Å; W24-W165 AromaticContact CE2-CD1 3.64Å; W24-W165 AromaticContact CE2-CG 3.75Å; W24-W165 HydrophobicContact CE3-CB 4.25Å; W24-W165 HydrophobicContact CG-CB 3.62Å; W24-W165 HydrophobicContact CG-CD2 4.19Å; W24-W165 HydrophobicContact CG-CE3 4.48Å; W24-W165 AromaticContact CG-CG 3.83Å; W24-W165 HydrophobicContact CG-CG 3.83Å; W24-W165 AromaticContact NE1-CD1 3.16Å; W24-W165 AromaticContact NE1-CD2 3.68Å; W24-W165 AromaticContact NE1-CE2 3.87Å; W24-W165 AromaticContact NE1-CG 3.26Å; W24-W165 VanDerWaalsContact NE1-CG 3.26Å; W24-W165 AromaticContact NE1-NE1 3.55Å; W24-D168 HydrophobicContact CH2-CB 3.45Å; W24-D168 VanDerWaalsContact CH2-CB 3.45Å; W24-D168 WeakPolarHBondContact CH2-OD1 3.34Å; W24-D168 HydrophobicContact CZ2-CB 3.83Å; W24-D168 VanDerWaalsContact CZ2-OD2 3.26Å; W24-D168 WeakPolarHBondContact CZ2-OD2 3.49Å; W24-D168 HydrophobicContact CZ3-CB 4.35Å
25R92.1Very high89Confident64 Ų6476 Ų7624%0.24241%0.408CS..Hα-helixtrans-59.4-46.9169.7-164.6-158.2-70.4101.6-7.4110.9K21 N22 Q28 V29 T157 E158K21-R25 WeakPolarHBondContact O-CB 3.21Å; K21-R25 PolarHBondContact O-N 3.08Å; N22-R25 PolarHBondContact O-N 3.44Å; N22-R25 PolarHBondContact OD1-NH1 3.04Å; R25-Q28 PolarHBondContact O-N 3.2Å; R25-V29 WeakPolarHBondContact O-CG2 3.48Å; R25-V29 PolarHBondContact O-N 3.03Å; R25-T157 HydrophobicContact CG-CG2 4.02Å; R25-E158 HydrophobicContact CG-CG 3.98Å; R25-E158 IonicContact CZ-OE1 3.43Å; R25-E158 IonicContact NE-OE1 3.14Å; R25-E158 PolarHBondContact NE-OE1 2.62Å; R25-E158 VanDerWaalsContact NH2-CD 3.28Å; R25-E158 IonicContact NH2-OE1 2.69Å; R25-E158 PolarHBondContact NH2-OE1 3.44Å; R25-E158 IonicContact NH2-OE2 3.33Å
26T93.3Very high89.2Confident93 Ų9376.6 Ų76.657%0.57140%0.403SS*.Hα-helixtrans-66.4-38.5179.5-58.80000112.3N22 Y23 Q28 V29 F30N22-T26 WeakPolarHBondContact O-CB 3.35Å; N22-T26 PolarHBondContact O-N 3.25Å; N22-T26 PolarHBondContact O-OG1 3.19Å; N22-T26 VanDerWaalsContact O-OG1 3.04Å; Y23-T26 PolarHBondContact O-N 3.22Å; T26-Q28 PolarHBondContact O-N 3.2Å; T26-V29 PolarHBondContact O-N 3.35Å; T26-F30 WeakPolarHBondContact O-CB 3.33Å; T26-F30 PolarHBondContact O-N 2.98Å
27K92.3Very high89.4Confident65 Ų6582.5 Ų82.528%0.28342%0.421SS..Hα-helixtrans-62.4-40.4175.3-173.4167173-178.10111.6Y23 W24 F30 I31Y23-K27 HydrophobicContact CE1-CD 3.69Å; Y23-K27 WeakPolarHBondContact O-CB 3.33Å; Y23-K27 PolarHBondContact O-N 3.21Å; Y23-K27 PolarHBondContact OH-NZ 3.04Å; W24-K27 HydrophobicContact CE3-CD 3.77Å; W24-K27 HydrophobicContact CH2-CD 4.17Å; W24-K27 HydrophobicContact CZ3-CD 3.56Å; W24-K27 VanDerWaalsContact CZ3-NZ 3.26Å; W24-K27 PolarHBondContact O-N 3.4Å; K27-F30 PolarHBondContact O-N 3Å; K27-I31 HydrophobicContact CG-CD1 4.27Å; K27-I31 WeakPolarHBondContact O-CD1 3.24Å; K27-I31 VanDerWaalsContact O-CG1 3.3Å; K27-I31 WeakPolarHBondContact O-CG1 3.47Å; K27-I31 PolarHBondContact O-N 3.12Å
28Q92.7Very high89.6Confident6 Ų683 Ų833%0.02842%0.419CS..Hα-helixtrans-63-46.8171.9177.361.734.300112.4W24 R25 T26 F30 I31 K32 E38 T157 R160 L164W24-Q28 PolarHBondContact O-N 3Å; R25-Q28 PolarHBondContact O-N 3.2Å; T26-Q28 PolarHBondContact O-N 3.2Å; Q28-F30 VanDerWaalsContact C-N 3.3Å; Q28-F30 PolarHBondContact O-N 3.29Å; Q28-I31 PolarHBondContact O-N 3.24Å; Q28-K32 PolarHBondContact O-N 3.3Å; Q28-E38 VanDerWaalsContact NE2-CD 3.28Å; Q28-E38 PolarHBondContact NE2-OE1 2.88Å; Q28-E38 PolarHBondContact NE2-OE2 3.41Å; Q28-T157 HydrophobicContact CB-CG2 4.49Å; Q28-T157 HydrophobicContact CG-CG2 4.09Å; Q28-R160 VanDerWaalsContact CD-CB 3.49Å; Q28-R160 HydrophobicContact CG-CB 3.87Å; Q28-L164 HydrophobicContact CB-CD1 4.32Å
29V92.3Very high89.7Confident77 Ų7781.1 Ų81.147%0.46742%0.417SS..Hα-helixtrans-58.4-43.6175.9173.20000111R25 T26 I31 K32 A33 T157R25-V29 WeakPolarHBondContact O-CG2 3.48Å; R25-V29 PolarHBondContact O-N 3.03Å; T26-V29 PolarHBondContact O-N 3.35Å; V29-I31 PolarHBondContact O-N 3.43Å; V29-K32 PolarHBondContact O-N 3.02Å; V29-A33 VanDerWaalsContact O-CB 3.26Å; V29-A33 WeakPolarHBondContact O-CB 3.45Å; V29-A33 PolarHBondContact O-N 2.81Å; V29-T157 HydrophobicContact CG2-CG2 3.57Å
30F93.3Very high89.7Confident118 Ų11882.3 Ų82.352%0.51842%0.42SS..Hα-helixtrans-65.3-36.2177.7-175.7-97.9000112.8T26 K27 Q28 T34T26-F30 WeakPolarHBondContact O-CB 3.33Å; T26-F30 PolarHBondContact O-N 2.98Å; K27-F30 PolarHBondContact O-N 3Å; Q28-F30 VanDerWaalsContact C-N 3.3Å; Q28-F30 PolarHBondContact O-N 3.29Å; F30-T34 HydrophobicContact CD1-CG2 4.26Å; F30-T34 HydrophobicContact CD2-CG2 4.16Å; F30-T34 HydrophobicContact CE1-CG2 3.89Å; F30-T34 HydrophobicContact CE2-CG2 3.79Å; F30-T34 HydrophobicContact CG-CG2 4.39Å; F30-T34 HydrophobicContact CZ-CG2 3.65Å; F30-T34 WeakPolarHBondContact O-CB 3.48Å; F30-T34 WeakPolarHBondContact O-CG2 3.45Å; F30-T34 PolarHBondContact O-N 2.93Å; F30-T34 PolarHBondContact O-OG1 2.9Å
31I89.6Confident89.7Confident29 Ų2985.7 Ų85.715%0.14944%0.436CS..Hα-helixtrans-63.9-51.4174.8-75.7163000110.5K27 Q28 V29 A33 T34 G35 K36 E38 L164K27-I31 HydrophobicContact CG-CD1 4.27Å; K27-I31 WeakPolarHBondContact O-CD1 3.24Å; K27-I31 VanDerWaalsContact O-CG1 3.3Å; K27-I31 WeakPolarHBondContact O-CG1 3.47Å; K27-I31 PolarHBondContact O-N 3.12Å; Q28-I31 PolarHBondContact O-N 3.24Å; V29-I31 PolarHBondContact O-N 3.43Å; I31-A33 VanDerWaalsContact C-N 3.32Å; I31-A33 PolarHBondContact O-N 2.93Å; I31-T34 PolarHBondContact O-N 3.04Å; I31-G35 PolarHBondContact O-N 3.05Å; I31-K36 HydrophobicContact CG2-CB 4.18Å; I31-K36 PolarHBondContact O-N 3.01Å; I31-E38 HydrophobicContact CG2-CG 3.61Å; I31-L164 HydrophobicContact CD1-CD1 3.6Å
32K87.9Confident89.8Confident111 Ų11184.9 Ų84.948%0.48343%0.434SS..Hα-helixtrans-56.7-44.6175.7-172.5173.8179.7174.90111.2Q28 V29 E153Q28-K32 PolarHBondContact O-N 3.3Å; V29-K32 PolarHBondContact O-N 3.02Å; K32-E153 IonicContact NZ-OE2 2.66Å; K32-E153 PolarHBondContact NZ-OE2 3.34Å
33A89.6Confident89.9Confident83 Ų8384.5 Ų84.569%0.68644%0.435SS*.Hα-helixtrans-73.3-23.6-179.200000115V29 I31V29-A33 VanDerWaalsContact O-CB 3.26Å; V29-A33 WeakPolarHBondContact O-CB 3.45Å; V29-A33 PolarHBondContact O-N 2.81Å; I31-A33 VanDerWaalsContact C-N 3.32Å; I31-A33 PolarHBondContact O-N 2.93Å
34T89Confident89.7Confident63 Ų6381.5 Ų81.539%0.38744%0.437SS..THydrogen-bonded Turntrans-98.78178.154.70000113.9F30 I31 K36F30-T34 HydrophobicContact CD1-CG2 4.26Å; F30-T34 HydrophobicContact CD2-CG2 4.16Å; F30-T34 HydrophobicContact CE1-CG2 3.89Å; F30-T34 HydrophobicContact CE2-CG2 3.79Å; F30-T34 HydrophobicContact CG-CG2 4.39Å; F30-T34 HydrophobicContact CZ-CG2 3.65Å; F30-T34 WeakPolarHBondContact O-CB 3.48Å; F30-T34 WeakPolarHBondContact O-CG2 3.45Å; F30-T34 PolarHBondContact O-N 2.93Å; F30-T34 PolarHBondContact O-OG1 2.9Å; I31-T34 PolarHBondContact O-N 3.04Å; T34-K36 PolarHBondContact O-N 3.38Å; T34-K36 VanDerWaalsContact O-N 3.14Å
35G83.8Confident89.6Confident71 Ų7184.2 Ų84.273%0.73246%0.458SS*.THydrogen-bonded Turntrans62.220.1178.200000114.2I31I31-G35 PolarHBondContact O-N 3.05Å
36K88.2Confident89.7Confident119 Ų11981.2 Ų81.252%0.51745%0.447SS..  trans-72.2140.7178.7-71.2-179.1-176.6-172.40109.4I31 T34 E38I31-K36 HydrophobicContact CG2-CB 4.18Å; I31-K36 PolarHBondContact O-N 3.01Å; T34-K36 PolarHBondContact O-N 3.38Å; T34-K36 VanDerWaalsContact O-N 3.14Å; K36-E38 PolarHBondContact O-N 2.99Å; K36-E38 VanDerWaalsContact O-N 3.08Å
37K84.8Confident89.7Confident213 Ų21379.3 Ų79.393%0.92644%0.441SS*.  trans-54.7117.2178.9-72.6-165.5172.9-166.20110.8
38E85.9Confident89.8Confident50 Ų5082.6 Ų82.623%0.23446%0.457CS..  trans-81.3178168.2-68.2-163.5-13400110.9Q28 I31 K36 E40 V43 R160Q28-E38 VanDerWaalsContact NE2-CD 3.28Å; Q28-E38 PolarHBondContact NE2-OE1 2.88Å; Q28-E38 PolarHBondContact NE2-OE2 3.41Å; I31-E38 HydrophobicContact CG2-CG 3.61Å; K36-E38 PolarHBondContact O-N 2.99Å; K36-E38 VanDerWaalsContact O-N 3.08Å; E38-E40 PolarHBondContact O-N 3.26Å; E38-V43 HydrophobicContact CB-CG2 3.94Å; E38-R160 VanDerWaalsContact CD-NH1 3.28Å; E38-R160 IonicContact OE1-NH1 2.67Å; E38-R160 PolarHBondContact OE1-NH1 3.23Å; E38-R160 WeakPolarHBondContact OE2-CD 3.5Å; E38-R160 IonicContact OE2-CZ 3.72Å; E38-R160 IonicContact OE2-NE 2.89Å; E38-R160 IonicContact OE2-NH1 2.69Å; E38-R160 PolarHBondContact OE2-NH1 3.3Å
39D87.1Confident90Very high60 Ų6082.3 Ų82.332%0.32146%0.456SS..  trans-73.7119.6178.7-160.7-70.7000110.5H41 V42 V43 K167D39-H41 VanDerWaalsContact C-N 3.31Å; D39-H41 PolarHBondContact O-N 2.91Å; D39-V42 HydrophobicContact CB-CB 4.15Å; D39-V42 HydrophobicContact CB-CG2 3.83Å; D39-V42 WeakPolarHBondContact O-CB 3.11Å; D39-V42 PolarHBondContact O-N 2.87Å; D39-V43 PolarHBondContact O-N 3.37Å; D39-K167 IonicContact OD2-NZ 3.92Å; D39-K167 PolarHBondContact OD2-NZ 2.96Å
40E88.7Confident90.2Very high160 Ų16081.2 Ų81.275%0.74845%0.447SS*.Hα-helixtrans-61-37.4-168.6-172.3171.9168.500112.8E38 V43 A44E38-E40 PolarHBondContact O-N 3.26Å; E40-V43 PolarHBondContact O-N 3.26Å; E40-A44 WeakPolarHBondContact O-CB 3.43Å; E40-A44 PolarHBondContact O-N 3.15Å
41H89.1Confident90.4Very high157 Ų15778.4 Ų78.473%0.72745%0.446SS*.Hα-helixtrans-69.6-33.8176.7-60.2-54000112.4D39 S45D39-H41 VanDerWaalsContact C-N 3.31Å; D39-H41 PolarHBondContact O-N 2.91Å; H41-S45 WeakPolarHBondContact O-CB 3.42Å; H41-S45 PolarHBondContact O-N 3.04Å
42V89.4Confident90.8Very high25 Ų2579 Ų7915%0.15245%0.447CS..Hα-helixtrans-68.8-44.4175.81800000110.1D39 S45 D46 R160 L163D39-V42 HydrophobicContact CB-CB 4.15Å; D39-V42 HydrophobicContact CB-CG2 3.83Å; D39-V42 WeakPolarHBondContact O-CB 3.11Å; D39-V42 PolarHBondContact O-N 2.87Å; V42-S45 PolarHBondContact O-N 3.21Å; V42-S45 PolarHBondContact O-OG 2.86Å; V42-D46 PolarHBondContact O-N 3.46Å; V42-R160 HydrophobicContact CG1-CG 3.82Å; V42-L163 HydrophobicContact CG1-CD1 4.36Å; V42-L163 HydrophobicContact CG2-CD1 3.91Å
43V90.3Very high91.3Very high65 Ų6574.4 Ų74.439%0.39443%0.428SS..Hα-helixtrans-62-46.5174.71780000111.1E38 D39 E40 S45 D46 A47E38-V43 HydrophobicContact CB-CG2 3.94Å; D39-V43 PolarHBondContact O-N 3.37Å; E40-V43 PolarHBondContact O-N 3.26Å; V43-S45 VanDerWaalsContact C-N 3.28Å; V43-S45 PolarHBondContact O-N 3.15Å; V43-D46 PolarHBondContact O-N 3.05Å; V43-D46 VanDerWaalsContact O-N 3.11Å; V43-A47 PolarHBondContact O-N 3.46Å
44A90.9Very high91.7Very high67 Ų6776.8 Ų76.855%0.55443%0.425SS*.Hα-helixtrans-60.6-35176.900000113E40 D46 A47E40-A44 WeakPolarHBondContact O-CB 3.43Å; E40-A44 PolarHBondContact O-N 3.15Å; A44-D46 PolarHBondContact O-N 3.42Å; A44-A47 PolarHBondContact O-N 3.4Å
45S90.9Very high92.2Very high72 Ų7277.2 Ų77.250%0.50343%0.427SS..Hα-helixtrans-69.8-19.8177.4770000114.5H41 V42 V43H41-S45 WeakPolarHBondContact O-CB 3.42Å; H41-S45 PolarHBondContact O-N 3.04Å; V42-S45 PolarHBondContact O-N 3.21Å; V42-S45 PolarHBondContact O-OG 2.86Å; V43-S45 VanDerWaalsContact C-N 3.28Å; V43-S45 PolarHBondContact O-N 3.15Å
46D93.9Very high92.9Very high1 Ų173.9 Ų73.91%0.00539%0.392CS..Hα-helixtrans-91.3-16.2-179-97.1-50000113.3V42 V43 A44 E48 L49 D50 R156 R160 F198V42-D46 PolarHBondContact O-N 3.46Å; V43-D46 PolarHBondContact O-N 3.05Å; V43-D46 VanDerWaalsContact O-N 3.11Å; A44-D46 PolarHBondContact O-N 3.42Å; D46-E48 VanDerWaalsContact C-N 3.31Å; D46-E48 PolarHBondContact O-N 2.88Å; D46-E48 VanDerWaalsContact O-N 3.17Å; D46-L49 WeakPolarHBondContact O-CA 3.48Å; D46-L49 WeakPolarHBondContact O-CB 3.44Å; D46-L49 PolarHBondContact O-N 3.32Å; D46-D50 PolarHBondContact O-N 3.16Å; D46-R156 VanDerWaalsContact CG-NE 3.35Å; D46-R156 PolarHBondContact O-NH2 3.26Å; D46-R156 IonicContact OD1-CZ 2.71Å; D46-R156 IonicContact OD1-NE 2.88Å; D46-R156 PolarHBondContact OD1-NE 3.1Å; D46-R156 IonicContact OD1-NH2 2.74Å; D46-R156 PolarHBondContact OD1-NH2 3.07Å; D46-R156 IonicContact OD2-NE 3.37Å; D46-R160 IonicContact OD2-CZ 2.64Å; D46-R160 IonicContact OD2-NE 2.71Å; D46-R160 PolarHBondContact OD2-NE 3.36Å; D46-R160 VanDerWaalsContact OD2-NE 3.14Å; D46-R160 IonicContact OD2-NH2 3.84Å; D46-R160 PolarHBondContact OD2-NH2 3.25Å; D46-F198 WeakPolarHBondContact OD1-CZ 3.44Å
47A94.1Very high93.4Very high54 Ų5471.9 Ų71.945%0.44639%0.385SS..Hα-helixtrans-56.5-35.4-172.100000115.1V43 A44 L49 D50 A51V43-A47 PolarHBondContact O-N 3.46Å; A44-A47 PolarHBondContact O-N 3.4Å; A47-L49 VanDerWaalsContact C-N 3.33Å; A47-L49 PolarHBondContact O-N 3.11Å; A47-D50 PolarHBondContact O-N 3.49Å; A47-A51 WeakPolarHBondContact O-CB 3.45Å; A47-A51 PolarHBondContact O-N 3.07Å
48E94.3Very high94Very high134 Ų13464.7 Ų64.763%0.62636%0.362SS*.Hα-helixtrans-62-40.3173.7179.9-162.2-154.500111.9D46 K52 K202D46-E48 VanDerWaalsContact C-N 3.31Å; D46-E48 PolarHBondContact O-N 2.88Å; D46-E48 VanDerWaalsContact O-N 3.17Å; E48-K52 PolarHBondContact O-N 3.46Å; E48-K202 WeakPolarHBondContact OE2-CE 3.3Å; E48-K202 IonicContact OE2-NZ 3.74Å; E48-K202 PolarHBondContact OE2-NZ 3.47Å
49L96.7Very high94.6Very high0 Ų062.9 Ų62.90%035%0.353CS..Hα-helixtrans-77-37.2179.717955.3000110.8D46 A47 K52 L53 M152 F198 K202 V205D46-L49 WeakPolarHBondContact O-CA 3.48Å; D46-L49 WeakPolarHBondContact O-CB 3.44Å; D46-L49 PolarHBondContact O-N 3.32Å; A47-L49 VanDerWaalsContact C-N 3.33Å; A47-L49 PolarHBondContact O-N 3.11Å; L49-K52 WeakPolarHBondContact O-CA 3.26Å; L49-K52 VanDerWaalsContact O-CB 3.3Å; L49-K52 WeakPolarHBondContact O-CB 3.33Å; L49-K52 PolarHBondContact O-N 2.84Å; L49-K52 VanDerWaalsContact O-N 3.08Å; L49-L53 WeakPolarHBondContact O-CG 3.47Å; L49-L53 PolarHBondContact O-N 3.36Å; L49-M152 HydrophobicContact CD1-CE 4.38Å; L49-M152 HydrophobicContact CD2-CE 4.08Å; L49-M152 HydrophobicContact CD2-CG 4.25Å; L49-M152 HydrophobicContact CD2-SD 3.62Å; L49-M152 HydrophobicContact CG-CE 4.28Å; L49-M152 HydrophobicContact CG-SD 4.45Å; L49-F198 HydrophobicContact CD2-CE2 3.8Å; L49-F198 HydrophobicContact CD2-CZ 3.85Å; L49-K202 HydrophobicContact CB-CD 4.36Å; L49-K202 HydrophobicContact CD1-CG 4.23Å; L49-K202 HydrophobicContact CD2-CB 4.05Å; L49-K202 HydrophobicContact CD2-CD 4.04Å; L49-K202 HydrophobicContact CD2-CG 3.88Å; L49-K202 HydrophobicContact CG-CG 4.47Å; L49-V205 HydrophobicContact CD1-CG1 4.11Å
50D97.4Very high95.2Very high54 Ų5462.4 Ų62.429%0.28935%0.349SS..Hα-helixtrans-63.2-44.6174.7-65.8-31.2000111.3D46 A47 K52 L53 E54 R156D46-D50 PolarHBondContact O-N 3.16Å; A47-D50 PolarHBondContact O-N 3.49Å; D50-K52 PolarHBondContact O-N 3.14Å; D50-L53 WeakPolarHBondContact O-CB 3.1Å; D50-L53 PolarHBondContact O-N 3.02Å; D50-E54 PolarHBondContact O-N 2.91Å; D50-R156 IonicContact OD1-CZ 3.14Å; D50-R156 IonicContact OD1-NH1 2.66Å; D50-R156 PolarHBondContact OD1-NH1 3.04Å; D50-R156 IonicContact OD1-NH2 2.82Å; D50-R156 PolarHBondContact OD1-NH2 3.13Å; D50-R156 IonicContact OD2-NH2 2.74Å
51A97.4Very high95.6Very high58 Ų5861.4 Ų61.448%0.47934%0.344SS..Hα-helixtrans-58.2-30.7171.800000113.1A47 V55A47-A51 WeakPolarHBondContact O-CB 3.45Å; A47-A51 PolarHBondContact O-N 3.07Å; A51-V55 PolarHBondContact O-N 3.15Å
52K97.9Very high96Very high42 Ų4256.8 Ų56.818%0.18333%0.327CS..Hα-helixtrans-74.5-33.2174.3-159.568.1156-165.60112.7E48 L49 D50 V55 F56 C206 V209 D210E48-K52 PolarHBondContact O-N 3.46Å; L49-K52 WeakPolarHBondContact O-CA 3.26Å; L49-K52 VanDerWaalsContact O-CB 3.3Å; L49-K52 WeakPolarHBondContact O-CB 3.33Å; L49-K52 PolarHBondContact O-N 2.84Å; L49-K52 VanDerWaalsContact O-N 3.08Å; D50-K52 PolarHBondContact O-N 3.14Å; K52-V55 PolarHBondContact O-N 3.29Å; K52-F56 PolarHBondContact O-N 3.47Å; K52-C206 VanDerWaalsContact CE-O 3.28Å; K52-C206 WeakPolarHBondContact CE-O 3.36Å; K52-C206 HydrophobicContact CG-CB 4.49Å; K52-V209 HydrophobicContact CD-CB 4.45Å; K52-V209 HydrophobicContact CD-CG1 4.17Å; K52-V209 HydrophobicContact CG-CB 4.2Å; K52-V209 HydrophobicContact CG-CG1 4.18Å; K52-D210 WeakPolarHBondContact CE-OD2 3.45Å; K52-D210 IonicContact NZ-OD1 3.75Å; K52-D210 PolarHBondContact NZ-OD1 3.48Å; K52-D210 IonicContact NZ-OD2 3.62Å; K52-D210 PolarHBondContact NZ-OD2 3.14Å
53L98.4Very high96.4Very high15 Ų1555.7 Ų55.78%0.07932%0.321CS..Hα-helixtrans-69.2-38.2173.7-65.2174.1000111.4L49 D50 V55 F56 H57 I149 M152 V205L49-L53 WeakPolarHBondContact O-CG 3.47Å; L49-L53 PolarHBondContact O-N 3.36Å; D50-L53 WeakPolarHBondContact O-CB 3.1Å; D50-L53 PolarHBondContact O-N 3.02Å; L53-V55 VanDerWaalsContact C-N 3.32Å; L53-V55 PolarHBondContact O-N 3Å; L53-F56 WeakPolarHBondContact O-CA 3.41Å; L53-F56 WeakPolarHBondContact O-CB 3.5Å; L53-F56 PolarHBondContact O-N 2.84Å; L53-F56 VanDerWaalsContact O-N 3.09Å; L53-H57 PolarHBondContact O-CD2 3.4Å; L53-H57 PolarHBondContact O-N 3.27Å; L53-I149 HydrophobicContact CD2-CB 4.4Å; L53-I149 HydrophobicContact CD2-CD1 3.89Å; L53-I149 HydrophobicContact CD2-CG1 3.87Å; L53-I149 HydrophobicContact CD2-CG2 3.66Å; L53-M152 HydrophobicContact CD1-CE 3.85Å; L53-M152 HydrophobicContact CD2-CE 3.94Å; L53-M152 HydrophobicContact CG-CE 4.35Å; L53-V205 HydrophobicContact CD2-CG1 4.27Å
54E98.2Very high96.7Very high132 Ų13256.1 Ų56.162%0.61732%0.321SS*.Hα-helixtrans-60.2-40.1172.8-66.2-56.3151.500112D50 F56 H57 S58D50-E54 PolarHBondContact O-N 2.91Å; E54-F56 VanDerWaalsContact C-N 3.33Å; E54-F56 PolarHBondContact O-N 3.39Å; E54-H57 PolarHBondContact O-N 3.15Å; E54-S58 VanDerWaalsContact O-CB 3.32Å; E54-S58 WeakPolarHBondContact O-CB 3.19Å; E54-S58 PolarHBondContact O-N 3.1Å
55V98.3Very high97.1Very high73 Ų7356.8 Ų56.844%0.44231%0.313SS..Hα-helixtrans-61.5-40.9172.5172.90000111.5A51 K52 L53 I59 V209A51-V55 PolarHBondContact O-N 3.15Å; K52-V55 PolarHBondContact O-N 3.29Å; L53-V55 VanDerWaalsContact C-N 3.32Å; L53-V55 PolarHBondContact O-N 3Å; V55-I59 HydrophobicContact CG1-CD1 4.06Å; V55-I59 WeakPolarHBondContact O-CB 3.33Å; V55-I59 VanDerWaalsContact O-CG1 3.31Å; V55-I59 WeakPolarHBondContact O-CG1 3.41Å; V55-I59 PolarHBondContact O-N 2.61Å; V55-V209 HydrophobicContact CB-CG1 4.37Å; V55-V209 HydrophobicContact CG1-CG1 4Å
56F98.7Very high97.4Very high0 Ų055.5 Ų55.50%030%0.3CS..Hα-helixtrans-63.4-45.9174.3167.9-93.6000112.4K52 L53 E54 I59 Q60 I142 T145 L146 I149 V209 L212K52-F56 PolarHBondContact O-N 3.47Å; L53-F56 WeakPolarHBondContact O-CA 3.41Å; L53-F56 WeakPolarHBondContact O-CB 3.5Å; L53-F56 PolarHBondContact O-N 2.84Å; L53-F56 VanDerWaalsContact O-N 3.09Å; E54-F56 VanDerWaalsContact C-N 3.33Å; E54-F56 PolarHBondContact O-N 3.39Å; F56-I59 WeakPolarHBondContact O-CB 3.41Å; F56-I59 PolarHBondContact O-N 2.91Å; F56-Q60 WeakPolarHBondContact O-CB 3.25Å; F56-Q60 PolarHBondContact O-N 3.04Å; F56-I142 HydrophobicContact CE2-CG2 3.64Å; F56-I142 HydrophobicContact CZ-CG2 3.68Å; F56-T145 HydrophobicContact CD2-CG2 3.61Å; F56-T145 HydrophobicContact CE2-CG2 3.71Å; F56-L146 HydrophobicContact CE1-CD1 4.07Å; F56-L146 HydrophobicContact CZ-CB 3.91Å; F56-L146 HydrophobicContact CZ-CD1 4.19Å; F56-I149 HydrophobicContact CB-CD1 4.02Å; F56-I149 HydrophobicContact CD1-CD1 3.44Å; F56-I149 VanDerWaalsContact CD1-CD1 3.44Å; F56-I149 HydrophobicContact CD2-CD1 3.66Å; F56-I149 HydrophobicContact CE1-CD1 3.82Å; F56-I149 HydrophobicContact CE2-CD1 4.01Å; F56-I149 HydrophobicContact CG-CD1 3.38Å; F56-I149 HydrophobicContact CZ-CD1 4.1Å; F56-V209 HydrophobicContact CB-CG1 4.28Å; F56-V209 HydrophobicContact CB-CG2 3.91Å; F56-V209 HydrophobicContact CD2-CG2 4.43Å; F56-L212 HydrophobicContact CD2-CD2 3.75Å; F56-L212 HydrophobicContact CE2-CD2 3.96Å
57H98.6Very high97.6Very high77 Ų7756.7 Ų56.736%0.35631%0.307SS..Hα-helixtrans-66.9-40.4-179.7-71.6-54000111.8L53 E54 I59 Q60 E61L53-H57 PolarHBondContact O-CD2 3.4Å; L53-H57 PolarHBondContact O-N 3.27Å; E54-H57 PolarHBondContact O-N 3.15Å; H57-I59 VanDerWaalsContact C-N 3.33Å; H57-I59 PolarHBondContact O-N 2.83Å; H57-Q60 PolarHBondContact ND1-OE1 3.17Å; H57-Q60 WeakPolarHBondContact O-CB 3.31Å; H57-Q60 PolarHBondContact O-N 3.11Å; H57-Q60 VanDerWaalsContact O-N 3.17Å; H57-E61 WeakPolarHBondContact O-CB 3.28Å; H57-E61 PolarHBondContact O-N 3.38Å
58S98.4Very high97.8Very high63 Ų6359.2 Ų59.244%0.44131%0.308SS..Hα-helixtrans-59.5-41.6171.3-176.40000112.2E54 T62E54-S58 VanDerWaalsContact O-CB 3.32Å; E54-S58 WeakPolarHBondContact O-CB 3.19Å; E54-S58 PolarHBondContact O-N 3.1Å; S58-T62 WeakPolarHBondContact O-CB 3.41Å; S58-T62 WeakPolarHBondContact O-CG2 3.4Å; S58-T62 PolarHBondContact O-N 3.09Å; S58-T62 PolarHBondContact O-OG1 2.93Å
59I98.4Very high98Very high11 Ų1157.3 Ų57.36%0.05630%0.301CS..Hα-helixtrans-61.2-46.5173.2-75.8165.9000111.2V55 F56 H57 C63 F137 I142 L212V55-I59 HydrophobicContact CG1-CD1 4.06Å; V55-I59 WeakPolarHBondContact O-CB 3.33Å; V55-I59 VanDerWaalsContact O-CG1 3.31Å; V55-I59 WeakPolarHBondContact O-CG1 3.41Å; V55-I59 PolarHBondContact O-N 2.61Å; F56-I59 WeakPolarHBondContact O-CB 3.41Å; F56-I59 PolarHBondContact O-N 2.91Å; H57-I59 VanDerWaalsContact C-N 3.33Å; H57-I59 PolarHBondContact O-N 2.83Å; I59-C63 VanDerWaalsContact O-CB 3.32Å; I59-C63 WeakPolarHBondContact O-CB 3.23Å; I59-C63 PolarHBondContact O-N 3.37Å; I59-C63 VanDerWaalsContact O-N 3.1Å; I59-C63 PolarHBondContact O-SG 3.03Å; I59-F137 HydrophobicContact CG2-CE1 4.32Å; I59-I142 HydrophobicContact CG2-CD1 4.23Å; I59-L212 HydrophobicContact CG2-CD2 3.89Å; I59-L212 HydrophobicContact CG2-CG 4.16Å
60Q98.4Very high98Very high51 Ų5157.7 Ų57.724%0.23830%0.303CS..Hα-helixtrans-62.4-49.5179.7179.4174.240.700112.6F56 H57 N64 I142F56-Q60 WeakPolarHBondContact O-CB 3.25Å; F56-Q60 PolarHBondContact O-N 3.04Å; H57-Q60 PolarHBondContact ND1-OE1 3.17Å; H57-Q60 WeakPolarHBondContact O-CB 3.31Å; H57-Q60 PolarHBondContact O-N 3.11Å; H57-Q60 VanDerWaalsContact O-N 3.17Å; Q60-N64 PolarHBondContact O-N 2.77Å; Q60-N64 VanDerWaalsContact O-N 3.15Å; Q60-N64 PolarHBondContact O-ND2 2.88Å; Q60-I142 HydrophobicContact CB-CG2 3.9Å; Q60-I142 HydrophobicContact CG-CG2 3.94Å
61E98.1Very high98Very high138 Ų13859.1 Ų59.165%0.64531%0.308SS*.Hα-helixtrans-63.8-52.4-179.6-178174.7-148.400111.5H57 C63 N64 E65H57-E61 WeakPolarHBondContact O-CB 3.28Å; H57-E61 PolarHBondContact O-N 3.38Å; E61-C63 VanDerWaalsContact C-N 3.33Å; E61-C63 PolarHBondContact O-N 2.67Å; E61-N64 PolarHBondContact O-N 2.96Å; E61-N64 VanDerWaalsContact O-N 3.11Å; E61-E65 PolarHBondContact O-N 3.14Å
62T98.2Very high98Very high60 Ų6062.5 Ų62.537%0.36831%0.312SS..Hα-helixtrans-69-27.9-17655.20000113.3S58 L66 R216S58-T62 WeakPolarHBondContact O-CB 3.41Å; S58-T62 WeakPolarHBondContact O-CG2 3.4Å; S58-T62 PolarHBondContact O-N 3.09Å; S58-T62 PolarHBondContact O-OG1 2.93Å; T62-L66 VanDerWaalsContact O-CB 3.24Å; T62-L66 WeakPolarHBondContact O-CB 3.17Å; T62-L66 PolarHBondContact O-N 3.31Å; T62-R216 PolarHBondContact OG1-NH1 3.13Å
63C98.1Very high98.1Very high2 Ų264.1 Ų64.11%0.01432%0.318CS..Hα-helixtrans-67.5-44.2168.2-81.10000112.4I59 E61 L66 V67 V134 I142 R216I59-C63 VanDerWaalsContact O-CB 3.32Å; I59-C63 WeakPolarHBondContact O-CB 3.23Å; I59-C63 PolarHBondContact O-N 3.37Å; I59-C63 VanDerWaalsContact O-N 3.1Å; I59-C63 PolarHBondContact O-SG 3.03Å; E61-C63 VanDerWaalsContact C-N 3.33Å; E61-C63 PolarHBondContact O-N 2.67Å; C63-L66 PolarHBondContact O-N 3.15Å; C63-V67 PolarHBondContact O-N 3.37Å; C63-V134 HydrophobicContact CB-CG1 4.03Å; C63-V134 VanDerWaalsContact O-CG1 3.32Å; C63-V134 WeakPolarHBondContact O-CG1 3.11Å; C63-I142 HydrophobicContact CB-CD1 3.96Å; C63-R216 VanDerWaalsContact SG-CD 3.57Å
64N96.5Very high98Very high75 Ų7564.9 Ų64.940%0.40132%0.321SS..Hα-helixtrans-64.7-38.8177.5-74.5-37.3000112.2Q60 E61Q60-N64 PolarHBondContact O-N 2.77Å; Q60-N64 VanDerWaalsContact O-N 3.15Å; Q60-N64 PolarHBondContact O-ND2 2.88Å; E61-N64 PolarHBondContact O-N 2.96Å; E61-N64 VanDerWaalsContact O-N 3.11Å
65E98.1Very high98Very high81 Ų8164 Ų6438%0.37932%0.32SS..Hα-helixtrans-72.1-37.5178-163.756.9-139.100112.1E61 V67 K68 I69E61-E65 PolarHBondContact O-N 3.14Å; E65-V67 VanDerWaalsContact C-N 3.26Å; E65-V67 PolarHBondContact O-N 2.81Å; E65-K68 PolarHBondContact O-N 3.19Å; E65-K68 VanDerWaalsContact O-N 3.09Å; E65-K68 WeakPolarHBondContact OE2-CD 3.37Å; E65-K68 WeakPolarHBondContact OE2-CE 3.33Å; E65-K68 IonicContact OE2-NZ 3.15Å; E65-K68 PolarHBondContact OE2-NZ 2.9Å; E65-I69 HydrophobicContact CG-CD1 3.99Å; E65-I69 HydrophobicContact CG-CG1 4.38Å; E65-I69 WeakPolarHBondContact O-CG1 3.3Å; E65-I69 PolarHBondContact O-N 3.27Å
66L98Very high98Very high45 Ų4568.5 Ų68.524%0.23633%0.329CS..Hα-helixtrans-57.8-37.3174.8179.759.8000112.4T62 C63 I69 V70 V134 L220T62-L66 VanDerWaalsContact O-CB 3.24Å; T62-L66 WeakPolarHBondContact O-CB 3.17Å; T62-L66 PolarHBondContact O-N 3.31Å; C63-L66 PolarHBondContact O-N 3.15Å; L66-I69 PolarHBondContact O-N 3.41Å; L66-V70 HydrophobicContact CD1-CG2 4.05Å; L66-V70 HydrophobicContact CG-CG2 4.48Å; L66-V70 WeakPolarHBondContact O-CB 3.48Å; L66-V70 VanDerWaalsContact O-CG2 3.28Å; L66-V70 WeakPolarHBondContact O-CG2 3.46Å; L66-V70 PolarHBondContact O-N 3.01Å; L66-V134 HydrophobicContact CD2-CG1 4.41Å; L66-V134 HydrophobicContact CD2-CG2 3.86Å; L66-L220 HydrophobicContact CD2-CD2 3.69Å
67V97.8Very high98Very high25 Ų2568.9 Ų68.915%0.15233%0.331CS..Hα-helixtrans-59.3-49.7173.8172.90000111C63 E65 I69 V70 E71 K131 V134C63-V67 PolarHBondContact O-N 3.37Å; E65-V67 VanDerWaalsContact C-N 3.26Å; E65-V67 PolarHBondContact O-N 2.81Å; V67-I69 PolarHBondContact O-N 2.93Å; V67-V70 PolarHBondContact O-N 3.17Å; V67-E71 WeakPolarHBondContact O-CG 3.38Å; V67-E71 PolarHBondContact O-N 3.22Å; V67-K131 HydrophobicContact CG1-CG 4.26Å; V67-V134 HydrophobicContact CG2-CB 4.11Å; V67-V134 HydrophobicContact CG2-CG1 3.74Å
68K97.8Very high97.9Very high108 Ų10868.8 Ų68.847%0.4733%0.333SS..Hα-helixtrans-63.6-40.2179.3-54.7176.8-151.2160.80112.2E65 E71 K72E65-K68 PolarHBondContact O-N 3.19Å; E65-K68 VanDerWaalsContact O-N 3.09Å; E65-K68 WeakPolarHBondContact OE2-CD 3.37Å; E65-K68 WeakPolarHBondContact OE2-CE 3.33Å; E65-K68 IonicContact OE2-NZ 3.15Å; E65-K68 PolarHBondContact OE2-NZ 2.9Å; K68-E71 PolarHBondContact O-N 3.12Å; K68-K72 VanDerWaalsContact O-CB 3.31Å; K68-K72 WeakPolarHBondContact O-CB 3.11Å; K68-K72 PolarHBondContact O-N 3.46Å
69I98.2Very high97.9Very high94 Ų9468.9 Ų68.948%0.48233%0.331SS..Hα-helixtrans-61.6-46.5177.2-70.9167.9000110E65 L66 V67 K72 Y73E65-I69 HydrophobicContact CG-CD1 3.99Å; E65-I69 HydrophobicContact CG-CG1 4.38Å; E65-I69 WeakPolarHBondContact O-CG1 3.3Å; E65-I69 PolarHBondContact O-N 3.27Å; L66-I69 PolarHBondContact O-N 3.41Å; V67-I69 PolarHBondContact O-N 2.93Å; I69-K72 PolarHBondContact O-N 3.13Å; I69-Y73 VanDerWaalsContact O-CB 3.24Å; I69-Y73 WeakPolarHBondContact O-CB 3.5Å; I69-Y73 PolarHBondContact O-N 3.48Å
70V98Very high97.9Very high7 Ų772.9 Ų72.94%0.04235%0.351CS..Hα-helixtrans-65.9-40178.8172.40000111.6L66 V67 Y73 Q74 L127 L130 K131L66-V70 HydrophobicContact CD1-CG2 4.05Å; L66-V70 HydrophobicContact CG-CG2 4.48Å; L66-V70 WeakPolarHBondContact O-CB 3.48Å; L66-V70 VanDerWaalsContact O-CG2 3.28Å; L66-V70 WeakPolarHBondContact O-CG2 3.46Å; L66-V70 PolarHBondContact O-N 3.01Å; V67-V70 PolarHBondContact O-N 3.17Å; V70-Y73 PolarHBondContact O-N 2.98Å; V70-Q74 WeakPolarHBondContact O-CG 3.33Å; V70-Q74 PolarHBondContact O-N 3.09Å; V70-L127 HydrophobicContact CG1-CB 4.12Å; V70-L127 HydrophobicContact CG1-CD2 4.3Å; V70-L127 WeakPolarHBondContact CG1-O 3.33Å; V70-L130 HydrophobicContact CG2-CD2 3.85Å; V70-L130 HydrophobicContact CG2-CG 4.42Å; V70-K131 HydrophobicContact CG1-CB 3.9Å
71E96.9Very high97.9Very high85 Ų8570.6 Ų70.640%0.39734%0.341SS..Hα-helixtrans-59.7-51172.7-73.2178.214100112.3V67 K68 Y73 Q74 L75 K131V67-E71 WeakPolarHBondContact O-CG 3.38Å; V67-E71 PolarHBondContact O-N 3.22Å; K68-E71 PolarHBondContact O-N 3.12Å; E71-Y73 VanDerWaalsContact C-N 3.25Å; E71-Y73 PolarHBondContact O-N 3.24Å; E71-Q74 PolarHBondContact O-N 3.45Å; E71-L75 PolarHBondContact O-N 2.98Å; E71-L75 VanDerWaalsContact O-N 3.08Å; E71-K131 HydrophobicContact CG-CD 3.84Å; E71-K131 VanDerWaalsContact CG-CE 3.46Å; E71-K131 VanDerWaalsContact CG-NZ 3.34Å; E71-K131 WeakPolarHBondContact OE1-CE 3.39Å; E71-K131 IonicContact OE1-NZ 2.77Å; E71-K131 PolarHBondContact OE1-NZ 3.38Å
72K98.2Very high97.9Very high129 Ų12970 Ų7056%0.56134%0.338SS*.Hα-helixtrans-64.7-30.5179.4-171.7173.7-176.8175.70112.3K68 I69 R76K68-K72 VanDerWaalsContact O-CB 3.31Å; K68-K72 WeakPolarHBondContact O-CB 3.11Å; K68-K72 PolarHBondContact O-N 3.46Å; I69-K72 PolarHBondContact O-N 3.13Å; K72-R76 WeakPolarHBondContact O-CG 3.43Å; K72-R76 PolarHBondContact O-N 3.4Å
73Y98.4Very high97.9Very high76 Ų7673.2 Ų73.230%0.29835%0.349SS..Hα-helixtrans-73.9-45.4175.8-177.9-133.3000112I69 V70 E71 L75 R76 L77 L127 Y227I69-Y73 VanDerWaalsContact O-CB 3.24Å; I69-Y73 WeakPolarHBondContact O-CB 3.5Å; I69-Y73 PolarHBondContact O-N 3.48Å; V70-Y73 PolarHBondContact O-N 2.98Å; E71-Y73 VanDerWaalsContact C-N 3.25Å; E71-Y73 PolarHBondContact O-N 3.24Å; Y73-L75 VanDerWaalsContact C-N 3.33Å; Y73-L75 PolarHBondContact O-N 3.39Å; Y73-R76 PolarHBondContact O-N 3.07Å; Y73-R76 VanDerWaalsContact O-N 3.12Å; Y73-L77 HydrophobicContact CD1-CD1 4.13Å; Y73-L77 HydrophobicContact CD2-CD1 4.47Å; Y73-L77 HydrophobicContact CD2-CG 4.15Å; Y73-L77 HydrophobicContact CE1-CD1 3.75Å; Y73-L77 HydrophobicContact CE1-CG 4.35Å; Y73-L77 HydrophobicContact CE2-CD1 4.12Å; Y73-L77 HydrophobicContact CE2-CD2 3.78Å; Y73-L77 HydrophobicContact CE2-CG 3.8Å; Y73-L77 HydrophobicContact CG-CD1 4.47Å; Y73-L77 WeakPolarHBondContact O-CG 3.44Å; Y73-L77 PolarHBondContact O-N 2.87Å; Y73-L127 HydrophobicContact CD1-CD1 3.6Å; Y73-L127 HydrophobicContact CD1-CD2 3.92Å; Y73-L127 HydrophobicContact CD1-CG 4.44Å; Y73-L127 HydrophobicContact CE1-CD1 3.61Å; Y73-L127 HydrophobicContact CE1-CD2 4.09Å; Y73-L127 HydrophobicContact CE1-CG 4.49Å; Y73-Y227 HydrophobicContact CE1-CE2 4.05Å; Y73-Y227 AromaticContact CE1-CZ 3.94Å; Y73-Y227 VanDerWaalsContact CE1-OH 3.28Å; Y73-Y227 WeakPolarHBondContact CE1-OH 3.44Å; Y73-Y227 PolarHBondContact OH-OH 2.96Å
74Q97.8Very high97.9Very high30 Ų3074.7 Ų74.714%0.1436%0.356CS..Hα-helixtrans-57.4-44.1173.7-72.2176.625.900112.1V70 E71 R76 L77 N78 L127 S128V70-Q74 WeakPolarHBondContact O-CG 3.33Å; V70-Q74 PolarHBondContact O-N 3.09Å; E71-Q74 PolarHBondContact O-N 3.45Å; Q74-R76 VanDerWaalsContact C-N 3.3Å; Q74-R76 PolarHBondContact O-N 3.38Å; Q74-L77 PolarHBondContact O-N 3.38Å; Q74-N78 PolarHBondContact O-N 3.35Å; Q74-N78 PolarHBondContact O-OD1 2.85Å; Q74-L127 HydrophobicContact CG-CB 3.85Å; Q74-L127 HydrophobicContact CG-CD1 4.08Å; Q74-L127 PolarHBondContact NE2-O 3.46Å; Q74-S128 PolarHBondContact NE2-OG 3.45Å; Q74-S128 PolarHBondContact OE1-OG 2.71Å
75L97.6Very high98Very high114 Ų11473.1 Ų73.160%0.59735%0.347SS*.Hα-helixtrans-58.1-43175.6178.861.1000112E71 Y73 N78 V79E71-L75 PolarHBondContact O-N 2.98Å; E71-L75 VanDerWaalsContact O-N 3.08Å; Y73-L75 VanDerWaalsContact C-N 3.33Å; Y73-L75 PolarHBondContact O-N 3.39Å; L75-N78 PolarHBondContact O-N 2.99Å; L75-V79 WeakPolarHBondContact O-CG2 3.5Å; L75-V79 PolarHBondContact O-N 2.82Å; L75-V79 VanDerWaalsContact O-N 3.15Å
76R98.1Very high98Very high167 Ų16775.2 Ų75.263%0.6336%0.357SS*.Hα-helixtrans-67.9-35.8176.9-75.8171.7164.2-163.6-9.9113.1K72 Y73 Q74 N78 I80K72-R76 WeakPolarHBondContact O-CG 3.43Å; K72-R76 PolarHBondContact O-N 3.4Å; Y73-R76 PolarHBondContact O-N 3.07Å; Y73-R76 VanDerWaalsContact O-N 3.12Å; Q74-R76 VanDerWaalsContact C-N 3.3Å; Q74-R76 PolarHBondContact O-N 3.38Å; R76-N78 VanDerWaalsContact C-N 3.35Å; R76-I80 WeakPolarHBondContact O-CG2 3.43Å; R76-I80 PolarHBondContact O-N 2.95Å
77L97.6Very high98Very high9 Ų977.4 Ų77.45%0.04737%0.368CS..Hα-helixtrans-65.9-37.7174.8-72.2176.1000112Y73 Q74 S81 R120 L123 L127Y73-L77 HydrophobicContact CD1-CD1 4.13Å; Y73-L77 HydrophobicContact CD2-CD1 4.47Å; Y73-L77 HydrophobicContact CD2-CG 4.15Å; Y73-L77 HydrophobicContact CE1-CD1 3.75Å; Y73-L77 HydrophobicContact CE1-CG 4.35Å; Y73-L77 HydrophobicContact CE2-CD1 4.12Å; Y73-L77 HydrophobicContact CE2-CD2 3.78Å; Y73-L77 HydrophobicContact CE2-CG 3.8Å; Y73-L77 HydrophobicContact CG-CD1 4.47Å; Y73-L77 WeakPolarHBondContact O-CG 3.44Å; Y73-L77 PolarHBondContact O-N 2.87Å; Q74-L77 PolarHBondContact O-N 3.38Å; L77-S81 WeakPolarHBondContact O-CB 3.45Å; L77-S81 PolarHBondContact O-N 2.92Å; L77-S81 PolarHBondContact O-OG 2.93Å; L77-S81 VanDerWaalsContact O-OG 3.13Å; L77-R120 HydrophobicContact CD2-CG 3.82Å; L77-L123 HydrophobicContact CD1-CB 4.01Å; L77-L123 HydrophobicContact CD1-CD1 4.34Å; L77-L123 HydrophobicContact CD2-CD1 4.3Å; L77-L127 HydrophobicContact CD1-CD1 3.39Å
78N97.6Very high98Very high74 Ų7476.2 Ų76.240%0.39636%0.361SS..Hα-helixtrans-64.5-52.7175-66.6-8.5000110.6Q74 L75 R76 I80 S81 E82 L121 C124Q74-N78 PolarHBondContact O-N 3.35Å; Q74-N78 PolarHBondContact O-OD1 2.85Å; L75-N78 PolarHBondContact O-N 2.99Å; R76-N78 VanDerWaalsContact C-N 3.35Å; N78-I80 PolarHBondContact O-N 2.82Å; N78-S81 PolarHBondContact O-N 3.29Å; N78-E82 PolarHBondContact O-N 3.35Å; N78-L121 WeakPolarHBondContact OD1-CD2 3.45Å; N78-C124 PolarHBondContact OD1-SG 2.98Å; N78-C124 VanDerWaalsContact OD1-SG 3.38Å
79V98.3Very high98Very high66 Ų6675.5 Ų75.540%0.436%0.362SS..Hα-helixtrans-58.8-48.6-179.3173.60000112L75 S81 E82 E83L75-V79 WeakPolarHBondContact O-CG2 3.5Å; L75-V79 PolarHBondContact O-N 2.82Å; L75-V79 VanDerWaalsContact O-N 3.15Å; V79-S81 PolarHBondContact O-N 3.38Å; V79-E82 WeakPolarHBondContact O-CB 3.48Å; V79-E82 PolarHBondContact O-N 3.15Å; V79-E82 VanDerWaalsContact O-N 3.07Å; V79-E83 HydrophobicContact CG1-CG 4.28Å; V79-E83 VanDerWaalsContact O-CG 3.28Å; V79-E83 WeakPolarHBondContact O-CG 3.34Å; V79-E83 PolarHBondContact O-N 3.2Å
80I98Very high98.1Very high95 Ų9576.4 Ų76.449%0.48736%0.363SS..Hα-helixtrans-66.8-26.2-179.3-161.7172.9000112.9R76 N78 E84R76-I80 WeakPolarHBondContact O-CG2 3.43Å; R76-I80 PolarHBondContact O-N 2.95Å; N78-I80 PolarHBondContact O-N 2.82Å; I80-E84 WeakPolarHBondContact O-CB 3.44Å; I80-E84 PolarHBondContact O-N 2.88Å; I80-E84 VanDerWaalsContact O-N 3.11Å
81S98.3Very high98Very high3 Ų377.8 Ų77.82%0.02137%0.37CS..Hα-helixtrans-79.4-25.6172-69.10000113.5L77 N78 V79 N85 A117 R120L77-S81 WeakPolarHBondContact O-CB 3.45Å; L77-S81 PolarHBondContact O-N 2.92Å; L77-S81 PolarHBondContact O-OG 2.93Å; L77-S81 VanDerWaalsContact O-OG 3.13Å; N78-S81 PolarHBondContact O-N 3.29Å; V79-S81 PolarHBondContact O-N 3.38Å; S81-N85 WeakPolarHBondContact O-CB 3.26Å; S81-N85 PolarHBondContact O-N 2.95Å; S81-N85 VanDerWaalsContact O-N 3.15Å; S81-A117 WeakPolarHBondContact CB-O 3.39Å; S81-A117 WeakPolarHBondContact O-CB 3.2Å; S81-A117 PolarHBondContact OG-O 3.08Å; S81-R120 WeakPolarHBondContact OG-CB 3.05Å; S81-R120 WeakPolarHBondContact OG-CD 3.25Å; S81-R120 PolarHBondContact OG-NH1 3.22Å
82E98.1Very high98.1Very high124 Ų12476.3 Ų76.358%0.57936%0.362SS*.Hα-helixtrans-67.8-56.1172.1-166.3161.2-152.800109.1N78 V79 E84 N85 E86N78-E82 PolarHBondContact O-N 3.35Å; V79-E82 WeakPolarHBondContact O-CB 3.48Å; V79-E82 PolarHBondContact O-N 3.15Å; V79-E82 VanDerWaalsContact O-N 3.07Å; E82-E84 PolarHBondContact O-N 3.4Å; E82-N85 PolarHBondContact O-N 3.38Å; E82-N85 VanDerWaalsContact O-N 3.15Å; E82-E86 PolarHBondContact O-N 3.32Å
83E98.3Very high98Very high128 Ų12875.1 Ų75.160%0.59836%0.357SS*.Hα-helixtrans-57.7-44.7177.9-58.2-84.9163.100112.9V79 E86 L87V79-E83 HydrophobicContact CG1-CG 4.28Å; V79-E83 VanDerWaalsContact O-CG 3.28Å; V79-E83 WeakPolarHBondContact O-CG 3.34Å; V79-E83 PolarHBondContact O-N 3.2Å; E83-E86 PolarHBondContact O-N 3.2Å; E83-L87 PolarHBondContact O-N 2.95Å
84E98.1Very high98Very high34 Ų3474.8 Ų74.816%0.15936%0.358CS..Hα-helixtrans-68.5-34.6177.9-175.4-171.9-124.900112.4I80 E82 G88 L113 A117 R120I80-E84 WeakPolarHBondContact O-CB 3.44Å; I80-E84 PolarHBondContact O-N 2.88Å; I80-E84 VanDerWaalsContact O-N 3.11Å; E82-E84 PolarHBondContact O-N 3.4Å; E84-G88 PolarHBondContact O-N 3.17Å; E84-L113 HydrophobicContact CG-CB 4.07Å; E84-L113 HydrophobicContact CG-CD2 3.92Å; E84-A117 HydrophobicContact CB-CB 4.37Å; E84-A117 HydrophobicContact CG-CB 4.47Å; E84-A117 WeakPolarHBondContact OE2-CA 3.3Å; E84-A117 WeakPolarHBondContact OE2-CB 3.25Å; E84-A117 PolarHBondContact OE2-N 3.46Å; E84-R120 IonicContact OE1-CZ 2.61Å; E84-R120 IonicContact OE1-NH2 3.93Å; E84-R120 PolarHBondContact OE1-NH2 2.94Å; E84-R120 IonicContact OE2-CZ 3.96Å; E84-R120 IonicContact OE2-NH1 2.77Å; E84-R120 PolarHBondContact OE2-NH1 2.98Å; E84-R120 IonicContact OE2-NH2 3.15Å; E84-R120 PolarHBondContact OE2-NH2 3.01Å
85N98.2Very high97.9Very high42 Ų4273.9 Ų73.923%0.22536%0.356CS..Hα-helixtrans-70.2-39.2174.817794.8000111.1S81 E82 G88 L89 A117S81-N85 WeakPolarHBondContact O-CB 3.26Å; S81-N85 PolarHBondContact O-N 2.95Å; S81-N85 VanDerWaalsContact O-N 3.15Å; E82-N85 PolarHBondContact O-N 3.38Å; E82-N85 VanDerWaalsContact O-N 3.15Å; N85-G88 PolarHBondContact O-N 3.18Å; N85-L89 WeakPolarHBondContact ND2-CD1 3.27Å; N85-L89 WeakPolarHBondContact O-CG 3.27Å; N85-L89 PolarHBondContact O-N 3.07Å; N85-A117 HydrophobicContact CB-CB 3.85Å
86E98.5Very high97.8Very high125 Ų12575.2 Ų75.258%0.58436%0.359SS*.Hα-helixtrans-62.9-45173.6-70.5-163.3161.600111.9E82 E83 G88 L89 F90E82-E86 PolarHBondContact O-N 3.32Å; E83-E86 PolarHBondContact O-N 3.2Å; E86-G88 VanDerWaalsContact C-N 3.3Å; E86-G88 PolarHBondContact O-N 3.05Å; E86-L89 PolarHBondContact O-N 3.24Å; E86-F90 WeakPolarHBondContact O-CB 3.45Å; E86-F90 PolarHBondContact O-N 3.34Å
87L98.4Very high97.7Very high90 Ų9076 Ų7647%0.47136%0.362SS..Hα-helixtrans-59.1-41.7172178.460.4000111.8E83 F90 L91 L113E83-L87 PolarHBondContact O-N 2.95Å; L87-F90 HydrophobicContact CD1-CD1 4.46Å; L87-F90 PolarHBondContact O-N 3.47Å; L87-L91 HydrophobicContact CD1-CG 4.47Å; L87-L91 WeakPolarHBondContact O-CG 3.31Å; L87-L91 PolarHBondContact O-N 3.47Å; L87-L113 HydrophobicContact CD2-CD1 3.92Å; L87-L113 HydrophobicContact CG-CD1 3.84Å
88G98.1Very high97.4Very high0 Ų077.8 Ų77.80%037%0.372CS..Hα-helixtrans-63.7-38.2176.500000113.5E84 N85 E86 K92 G110E84-G88 PolarHBondContact O-N 3.17Å; N85-G88 PolarHBondContact O-N 3.18Å; E86-G88 VanDerWaalsContact C-N 3.3Å; E86-G88 PolarHBondContact O-N 3.05Å; G88-K92 WeakPolarHBondContact O-CG 3.3Å; G88-K92 PolarHBondContact O-N 2.88Å; G88-G110 VanDerWaalsContact O-CA 3.23Å; G88-G110 WeakPolarHBondContact O-CA 3.4Å
89L98.4Very high97.2Very high94 Ų9480.5 Ų80.549%0.49240%0.396SS..Hα-helixtrans-69.2-41.2173.7-71.2174000111.8N85 E86 K92 F93N85-L89 WeakPolarHBondContact ND2-CD1 3.27Å; N85-L89 WeakPolarHBondContact O-CG 3.27Å; N85-L89 PolarHBondContact O-N 3.07Å; E86-L89 PolarHBondContact O-N 3.24Å; L89-K92 PolarHBondContact O-N 3.28Å; L89-F93 PolarHBondContact O-N 3.3Å
90F98.4Very high96.8Very high113 Ų11381 Ų8150%0.49640%0.4SS..Hα-helixtrans-59.5-47.9176.4171.4-101.4000112.1E86 L87 K92 F93 Q94E86-F90 WeakPolarHBondContact O-CB 3.45Å; E86-F90 PolarHBondContact O-N 3.34Å; L87-F90 HydrophobicContact CD1-CD1 4.46Å; L87-F90 PolarHBondContact O-N 3.47Å; F90-K92 VanDerWaalsContact C-N 3.29Å; F90-K92 PolarHBondContact O-N 2.66Å; F90-F93 PolarHBondContact O-N 2.9Å; F90-Q94 HydrophobicContact CD1-CG 4.49Å; F90-Q94 HydrophobicContact CD2-CG 4.28Å; F90-Q94 HydrophobicContact CE1-CG 4.01Å; F90-Q94 HydrophobicContact CE2-CG 3.78Å; F90-Q94 HydrophobicContact CZ-CG 3.63Å; F90-Q94 WeakPolarHBondContact O-CG 3.47Å; F90-Q94 PolarHBondContact O-N 3.43Å
91L97.8Very high96.2Very high36 Ų3680.9 Ų80.919%0.18840%0.397CS..Hα-helixtrans-60.2-39.3178.1-69.3-177.9000112.1L87 Q94 A95 M106 A109 L113L87-L91 HydrophobicContact CD1-CG 4.47Å; L87-L91 WeakPolarHBondContact O-CG 3.31Å; L87-L91 PolarHBondContact O-N 3.47Å; L91-Q94 PolarHBondContact O-N 3.28Å; L91-A95 WeakPolarHBondContact O-CB 3.36Å; L91-A95 PolarHBondContact O-N 3.09Å; L91-M106 HydrophobicContact CB-CB 4.47Å; L91-M106 WeakPolarHBondContact CB-O 3.43Å; L91-M106 HydrophobicContact CD2-CG 4.4Å; L91-A109 HydrophobicContact CD1-CB 4.04Å; L91-L113 HydrophobicContact CD1-CD1 3.87Å
92K97.4Very high95.8Very high53 Ų5382 Ų8223%0.2341%0.407CS..Hα-helixtrans-65-43.2174.8-69.7-17770.1-83.30112.9G88 L89 F90 Q94 A95 E96 D107 K111G88-K92 WeakPolarHBondContact O-CG 3.3Å; G88-K92 PolarHBondContact O-N 2.88Å; L89-K92 PolarHBondContact O-N 3.28Å; F90-K92 VanDerWaalsContact C-N 3.29Å; F90-K92 PolarHBondContact O-N 2.66Å; K92-Q94 VanDerWaalsContact C-N 3.27Å; K92-Q94 PolarHBondContact O-N 3.41Å; K92-A95 WeakPolarHBondContact O-CB 3.47Å; K92-A95 PolarHBondContact O-N 2.97Å; K92-E96 IonicContact NZ-OE1 2.68Å; K92-E96 WeakPolarHBondContact O-CG 3.49Å; K92-E96 PolarHBondContact O-N 2.97Å; K92-D107 WeakPolarHBondContact CE-OD1 3.38Å; K92-K111 HydrophobicContact CD-CG 4.12Å
93F97.6Very high95.6Very high104 Ų10476.2 Ų76.246%0.45638%0.38SS..Hα-helixtrans-63.3-34.2176.8175.9-103.7000112.3L89 F90 R97L89-F93 PolarHBondContact O-N 3.3Å; F90-F93 PolarHBondContact O-N 2.9Å; F93-R97 WeakPolarHBondContact O-CG 3.45Å
94Q96.6Very high95.2Very high69 Ų6976.8 Ų76.832%0.32238%0.383SS..Hα-helixtrans-72.1-38.3173.3-67.9-61.2112.200112.2F90 L91 K92 E96 R97 D98 M106F90-Q94 HydrophobicContact CD1-CG 4.49Å; F90-Q94 HydrophobicContact CD2-CG 4.28Å; F90-Q94 HydrophobicContact CE1-CG 4.01Å; F90-Q94 HydrophobicContact CE2-CG 3.78Å; F90-Q94 HydrophobicContact CZ-CG 3.63Å; F90-Q94 WeakPolarHBondContact O-CG 3.47Å; F90-Q94 PolarHBondContact O-N 3.43Å; L91-Q94 PolarHBondContact O-N 3.28Å; K92-Q94 VanDerWaalsContact C-N 3.27Å; K92-Q94 PolarHBondContact O-N 3.41Å; Q94-E96 VanDerWaalsContact C-N 3.33Å; Q94-E96 PolarHBondContact O-N 3.2Å; Q94-R97 WeakPolarHBondContact O-CB 3.42Å; Q94-R97 PolarHBondContact O-N 3.49Å; Q94-D98 PolarHBondContact O-N 3.42Å; Q94-M106 HydrophobicContact CB-SD 4.02Å
95A97Very high95Very high12 Ų1278.6 Ų78.610%0.09939%0.392CS..Hα-helixtrans-61.2-37.3174.800000113.4L91 K92 R97 D98 G103 M106 D107L91-A95 WeakPolarHBondContact O-CB 3.36Å; L91-A95 PolarHBondContact O-N 3.09Å; K92-A95 WeakPolarHBondContact O-CB 3.47Å; K92-A95 PolarHBondContact O-N 2.97Å; A95-R97 PolarHBondContact O-N 3.15Å; A95-D98 PolarHBondContact O-N 2.98Å; A95-D98 VanDerWaalsContact O-N 3.14Å; A95-G103 WeakPolarHBondContact CB-O 3.5Å; A95-M106 HydrophobicContact CB-CB 3.96Å; A95-D107 HydrophobicContact CB-CB 3.58Å
96E95.6Very high94.8Very high142 Ų14279.1 Ų79.166%0.66439%0.394SS*.THydrogen-bonded Turntrans-59.9-12.2173.6-72.3165.9-160.400113.2K92 Q94K92-E96 IonicContact NZ-OE1 2.68Å; K92-E96 WeakPolarHBondContact O-CG 3.49Å; K92-E96 PolarHBondContact O-N 2.97Å; Q94-E96 VanDerWaalsContact C-N 3.33Å; Q94-E96 PolarHBondContact O-N 3.2Å
97R94.5Very high94.7Very high183 Ų18375 Ų7569%0.69138%0.376SS*.THydrogen-bonded Turntrans-113.8-4.4-178.6-52.9179.673.3148.65.9113.8F93 Q94 A95F93-R97 WeakPolarHBondContact O-CG 3.45Å; Q94-R97 WeakPolarHBondContact O-CB 3.42Å; Q94-R97 PolarHBondContact O-N 3.49Å; A95-R97 PolarHBondContact O-N 3.15Å
98D93.1Very high94.5Very high46 Ų4672.5 Ų72.525%0.24637%0.368CS..  trans-122.3103.2-179.1-177.8-9000109.3Q94 A95 T100 G103Q94-D98 PolarHBondContact O-N 3.42Å; A95-D98 PolarHBondContact O-N 2.98Å; A95-D98 VanDerWaalsContact O-N 3.14Å; D98-T100 PolarHBondContact O-N 3.32Å; D98-T100 VanDerWaalsContact OD1-CB 3.24Å; D98-T100 WeakPolarHBondContact OD1-CB 3.48Å; D98-T100 WeakPolarHBondContact OD1-CG2 3.22Å; D98-T100 PolarHBondContact OD1-N 3.48Å; D98-T100 PolarHBondContact OD1-OG1 3.48Å; D98-T100 PolarHBondContact OD2-OG1 3.13Å; D98-G103 WeakPolarHBondContact O-CA 3.37Å; D98-G103 PolarHBondContact OD2-N 3.27Å
99S92.1Very high94.4Very high131 Ų13173.6 Ų73.692%0.91638%0.377SS*.  trans-82.515.8179.771.60000113.8
100T90.6Very high94.4Very high76 Ų7669.1 Ų69.147%0.46635%0.354SS..SBendtrans-96.3171.8174.876.40000111.5D98 A102 G103 E104D98-T100 PolarHBondContact O-N 3.32Å; D98-T100 VanDerWaalsContact OD1-CB 3.24Å; D98-T100 WeakPolarHBondContact OD1-CB 3.48Å; D98-T100 WeakPolarHBondContact OD1-CG2 3.22Å; D98-T100 PolarHBondContact OD1-N 3.48Å; D98-T100 PolarHBondContact OD1-OG1 3.48Å; D98-T100 PolarHBondContact OD2-OG1 3.13Å; T100-A102 PolarHBondContact O-N 3.28Å; T100-A102 VanDerWaalsContact O-N 3.08Å; T100-A102 WeakPolarHBondContact OG1-CB 3.26Å; T100-A102 PolarHBondContact OG1-N 3.12Å; T100-G103 WeakPolarHBondContact O-CA 3.2Å; T100-G103 PolarHBondContact O-N 3.46Å; T100-E104 PolarHBondContact O-N 2.99Å
101Q85.8Confident94.2Very high93 Ų9369.2 Ų69.244%0.43535%0.354SS..Hα-helixtrans-57.8-20.8172.9-160.1-178.60.300112.9M105 F252Q101-M105 WeakPolarHBondContact O-CB 3.46Å; Q101-M105 PolarHBondContact O-N 3.47Å; Q101-F252 HydrophobicContact CB-CE1 4.49Å; Q101-F252 HydrophobicContact CB-CZ 4.01Å; Q101-F252 HydrophobicContact CG-CE1 4.44Å; Q101-F252 HydrophobicContact CG-CE2 3.76Å; Q101-F252 HydrophobicContact CG-CZ 3.62Å
102A89.4Confident94.2Very high28 Ų2867.7 Ų67.723%0.23135%0.347CS..Hα-helixtrans-70-37.9172.200000112T100 M105 M106T100-A102 PolarHBondContact O-N 3.28Å; T100-A102 VanDerWaalsContact O-N 3.08Å; T100-A102 WeakPolarHBondContact OG1-CB 3.26Å; T100-A102 PolarHBondContact OG1-N 3.12Å; A102-M105 PolarHBondContact O-N 3.25Å; A102-M106 HydrophobicContact CB-CE 4.27Å; A102-M106 WeakPolarHBondContact O-CG 3.45Å; A102-M106 PolarHBondContact O-N 3.32Å
103G92.9Very high94.2Very high2 Ų266.4 Ų66.42%0.02134%0.342CS..Hα-helixtrans-65.3-45.4171.500000112.5A95 D98 T100 M105 M106 D107A95-G103 WeakPolarHBondContact CB-O 3.5Å; D98-G103 WeakPolarHBondContact O-CA 3.37Å; D98-G103 PolarHBondContact OD2-N 3.27Å; T100-G103 WeakPolarHBondContact O-CA 3.2Å; T100-G103 PolarHBondContact O-N 3.46Å; G103-M105 VanDerWaalsContact C-N 3.26Å; G103-M105 PolarHBondContact O-N 2.72Å; G103-M106 PolarHBondContact O-N 3.09Å; G103-D107 PolarHBondContact O-N 3.45Å
104E91.8Very high94.2Very high139 Ų13962.1 Ų62.165%0.6533%0.325SS*.Hα-helixtrans-55.2-43.3173.4-62.4-17514100111.7T100 A108T100-E104 PolarHBondContact O-N 2.99Å; E104-A108 WeakPolarHBondContact O-CB 3.36Å; E104-A108 PolarHBondContact O-N 2.64Å
105M91.8Very high94.2Very high72 Ų7260.6 Ų60.636%0.35532%0.322SS..Hα-helixtrans-66-38.1175.7-173.9-179.966.700112.5Q101 A102 G103 A109 C249 F252Q101-M105 WeakPolarHBondContact O-CB 3.46Å; Q101-M105 PolarHBondContact O-N 3.47Å; A102-M105 PolarHBondContact O-N 3.25Å; G103-M105 VanDerWaalsContact C-N 3.26Å; G103-M105 PolarHBondContact O-N 2.72Å; M105-A109 VanDerWaalsContact O-CB 3.26Å; M105-A109 WeakPolarHBondContact O-CB 3.35Å; M105-A109 PolarHBondContact O-N 2.88Å; M105-C249 PolarHBondContact SD-SG 3.23Å; M105-F252 HydrophobicContact SD-CE2 4.24Å; M105-F252 HydrophobicContact SD-CZ 4.05Å
106M95.3Very high94.2Very high54 Ų5460 Ų6027%0.26632%0.317SS..Hα-helixtrans-67.2-41.8175.5-76-176.6-129.500112.6L91 Q94 A95 A102 G103 G110L91-M106 HydrophobicContact CB-CB 4.47Å; L91-M106 WeakPolarHBondContact CB-O 3.43Å; L91-M106 HydrophobicContact CD2-CG 4.4Å; Q94-M106 HydrophobicContact CB-SD 4.02Å; A95-M106 HydrophobicContact CB-CB 3.96Å; A102-M106 HydrophobicContact CB-CE 4.27Å; A102-M106 WeakPolarHBondContact O-CG 3.45Å; A102-M106 PolarHBondContact O-N 3.32Å; G103-M106 PolarHBondContact O-N 3.09Å; M106-G110 PolarHBondContact O-N 2.94Å
107D95.3Very high94.3Very high39 Ų3953.3 Ų53.321%0.20929%0.286CS..Hα-helixtrans-67.8-41.4175.5168.664.7000111.4K92 A95 G103 G110 K111K92-D107 WeakPolarHBondContact CE-OD1 3.38Å; A95-D107 HydrophobicContact CB-CB 3.58Å; G103-D107 PolarHBondContact O-N 3.45Å; D107-G110 PolarHBondContact O-N 3.36Å; D107-K111 VanDerWaalsContact O-CB 3.31Å; D107-K111 WeakPolarHBondContact O-CB 3.24Å; D107-K111 VanDerWaalsContact O-CG 3.25Å; D107-K111 WeakPolarHBondContact O-CG 3.28Å; D107-K111 PolarHBondContact O-N 3.03Å; D107-K111 WeakPolarHBondContact OD1-CE 3.23Å; D107-K111 IonicContact OD1-NZ 3.76Å; D107-K111 PolarHBondContact OD1-NZ 3.4Å; D107-K111 WeakPolarHBondContact OD2-CE 3.26Å; D107-K111 IonicContact OD2-NZ 3.46Å; D107-K111 PolarHBondContact OD2-NZ 3.43Å
108A95.1Very high94.3Very high36 Ų3651.3 Ų51.330%0.29828%0.282SS..Hα-helixtrans-60.1-48.2174.500000111.8E104 K111 A112 I245E104-A108 WeakPolarHBondContact O-CB 3.36Å; E104-A108 PolarHBondContact O-N 2.64Å; A108-K111 PolarHBondContact O-N 3.45Å; A108-A112 PolarHBondContact O-N 2.88Å; A108-I245 HydrophobicContact CB-CG1 4.21Å
109A95.9Very high94.4Very high23 Ų2351.2 Ų51.219%0.1928%0.28CS..Hα-helixtrans-62.4-44.9175.100000112.2L91 M105 K111 A112 L113L91-A109 HydrophobicContact CD1-CB 4.04Å; M105-A109 VanDerWaalsContact O-CB 3.26Å; M105-A109 WeakPolarHBondContact O-CB 3.35Å; M105-A109 PolarHBondContact O-N 2.88Å; A109-K111 PolarHBondContact O-N 2.83Å; A109-A112 PolarHBondContact O-N 3.11Å; A109-A112 VanDerWaalsContact O-N 3.14Å; A109-L113 WeakPolarHBondContact O-CG 3.38Å; A109-L113 PolarHBondContact O-N 3.31Å
110G97.3Very high94.6Very high0 Ų045.9 Ų45.90%024%0.24CC..Hα-helixtrans-63.1-40.3178.600000113.1G88 M106 D107 L113 C114G88-G110 VanDerWaalsContact O-CA 3.23Å; G88-G110 WeakPolarHBondContact O-CA 3.4Å; M106-G110 PolarHBondContact O-N 2.94Å; D107-G110 PolarHBondContact O-N 3.36Å; G110-L113 PolarHBondContact O-N 3.43Å; G110-C114 WeakPolarHBondContact O-CB 3.37Å; G110-C114 PolarHBondContact O-N 3.07Å; G110-C114 PolarHBondContact O-SG 3.05Å
111K96.2Very high94.9Very high115 Ų11545.7 Ų45.750%0.524%0.236SC..Hα-helixtrans-60.3-44.1170.2-76.8166.4171.9165.70111.9K92 D107 A108 A109 S115K92-K111 HydrophobicContact CD-CG 4.12Å; D107-K111 VanDerWaalsContact O-CB 3.31Å; D107-K111 WeakPolarHBondContact O-CB 3.24Å; D107-K111 VanDerWaalsContact O-CG 3.25Å; D107-K111 WeakPolarHBondContact O-CG 3.28Å; D107-K111 PolarHBondContact O-N 3.03Å; D107-K111 WeakPolarHBondContact OD1-CE 3.23Å; D107-K111 IonicContact OD1-NZ 3.76Å; D107-K111 PolarHBondContact OD1-NZ 3.4Å; D107-K111 WeakPolarHBondContact OD2-CE 3.26Å; D107-K111 IonicContact OD2-NZ 3.46Å; D107-K111 PolarHBondContact OD2-NZ 3.43Å; A108-K111 PolarHBondContact O-N 3.45Å; A109-K111 PolarHBondContact O-N 2.83Å; K111-S115 VanDerWaalsContact O-CB 3.25Å; K111-S115 WeakPolarHBondContact O-CB 3.24Å; K111-S115 PolarHBondContact O-N 3.25Å
112A96.7Very high95.4Very high4 Ų443.6 Ų43.63%0.03323%0.234CC..Hα-helixtrans-67.5-39.8178.700000113.1A108 A109 S115 S116 M241 M242 I245A108-A112 PolarHBondContact O-N 2.88Å; A109-A112 PolarHBondContact O-N 3.11Å; A109-A112 VanDerWaalsContact O-N 3.14Å; A112-S115 WeakPolarHBondContact O-CB 3.41Å; A112-S115 PolarHBondContact O-N 2.89Å; A112-S116 WeakPolarHBondContact O-CB 3.37Å; A112-S116 PolarHBondContact O-N 3.06Å; A112-M241 HydrophobicContact CB-CB 4.14Å; A112-M241 HydrophobicContact CB-CE 4.39Å; A112-M241 WeakPolarHBondContact O-CE 3.33Å; A112-M242 HydrophobicContact CB-CE 4.23Å; A112-M242 HydrophobicContact CB-SD 4.48Å; A112-I245 HydrophobicContact CB-CD1 3.48Å; A112-I245 VanDerWaalsContact CB-CD1 3.48Å
113L97.6Very high95.7Very high26 Ų2642.3 Ų42.314%0.13622%0.224CC..Hα-helixtrans-64.5-49.9174.5-68.6177.8000111.7E84 L87 L91 A109 G110 S115 S116 A117 M242E84-L113 HydrophobicContact CG-CB 4.07Å; E84-L113 HydrophobicContact CG-CD2 3.92Å; L87-L113 HydrophobicContact CD2-CD1 3.92Å; L87-L113 HydrophobicContact CG-CD1 3.84Å; L91-L113 HydrophobicContact CD1-CD1 3.87Å; A109-L113 WeakPolarHBondContact O-CG 3.38Å; A109-L113 PolarHBondContact O-N 3.31Å; G110-L113 PolarHBondContact O-N 3.43Å; L113-S115 PolarHBondContact O-N 3.34Å; L113-S116 PolarHBondContact O-N 3.14Å; L113-S116 VanDerWaalsContact O-N 3.14Å; L113-A117 WeakPolarHBondContact O-CB 3.36Å; L113-A117 PolarHBondContact O-N 3.3Å; L113-M242 HydrophobicContact CD2-CE 3.8Å; L113-M242 HydrophobicContact CG-CE 4.47Å
114C97.6Very high95.9Very high14 Ų1443.1 Ų43.110%0.09523%0.229CC..Hα-helixtrans-57-32.7173.5-730000113G110 K118G110-C114 WeakPolarHBondContact O-CB 3.37Å; G110-C114 PolarHBondContact O-N 3.07Å; G110-C114 PolarHBondContact O-SG 3.05Å; C114-K118 WeakPolarHBondContact O-CD 3.33Å; C114-K118 VanDerWaalsContact O-CG 3.3Å; C114-K118 WeakPolarHBondContact O-CG 3.19Å; C114-K118 PolarHBondContact O-N 3.43Å
115S96.1Very high96.1Very high37 Ų3741.5 Ų41.526%0.25923%0.229SC..Hα-helixtrans-74.9-44.9175.6-177.60000111.8K111 A112 L113 A117 K118 Q119 M241K111-S115 VanDerWaalsContact O-CB 3.25Å; K111-S115 WeakPolarHBondContact O-CB 3.24Å; K111-S115 PolarHBondContact O-N 3.25Å; A112-S115 WeakPolarHBondContact O-CB 3.41Å; A112-S115 PolarHBondContact O-N 2.89Å; L113-S115 PolarHBondContact O-N 3.34Å; S115-A117 PolarHBondContact O-N 2.92Å; S115-K118 PolarHBondContact O-N 2.91Å; S115-Q119 WeakPolarHBondContact O-CB 3.3Å; S115-Q119 VanDerWaalsContact O-CG 3.26Å; S115-Q119 WeakPolarHBondContact O-CG 3.45Å; S115-Q119 PolarHBondContact O-N 3.38Å; S115-Q119 PolarHBondContact OG-NE2 3.36Å; S115-M241 PolarHBondContact OG-SD 3.09Å
116S97.3Very high96.3Very high1 Ų138.7 Ų38.71%0.00722%0.216CC..Hα-helixtrans-59.3-45.9176.3-166.40000111.3A112 L113 K118 Q119 R120 F234 T238A112-S116 WeakPolarHBondContact O-CB 3.37Å; A112-S116 PolarHBondContact O-N 3.06Å; L113-S116 PolarHBondContact O-N 3.14Å; L113-S116 VanDerWaalsContact O-N 3.14Å; S116-K118 PolarHBondContact O-N 3.44Å; S116-Q119 PolarHBondContact O-N 3.32Å; S116-Q119 VanDerWaalsContact O-N 3.15Å; S116-R120 WeakPolarHBondContact O-CB 3.21Å; S116-R120 PolarHBondContact O-N 3.46Å; S116-F234 WeakPolarHBondContact O-CE2 3.48Å; S116-F234 WeakPolarHBondContact OG-CE2 3.32Å; S116-T238 VanDerWaalsContact OG-CG2 3.27Å; S116-T238 WeakPolarHBondContact OG-CG2 3.48Å; S116-T238 PolarHBondContact OG-OG1 3.46Å; S116-T238 VanDerWaalsContact OG-OG1 3.13Å
117A97.8Very high96.5Very high1 Ų136.2 Ų36.21%0.00820%0.204CC..Hα-helixtrans-55.1-50.3177.600000112.3S81 E84 N85 L113 S115 R120 L121S81-A117 WeakPolarHBondContact CB-O 3.39Å; S81-A117 WeakPolarHBondContact O-CB 3.2Å; S81-A117 PolarHBondContact OG-O 3.08Å; E84-A117 HydrophobicContact CB-CB 4.37Å; E84-A117 HydrophobicContact CG-CB 4.47Å; E84-A117 WeakPolarHBondContact OE2-CA 3.3Å; E84-A117 WeakPolarHBondContact OE2-CB 3.25Å; E84-A117 PolarHBondContact OE2-N 3.46Å; N85-A117 HydrophobicContact CB-CB 3.85Å; L113-A117 WeakPolarHBondContact O-CB 3.36Å; L113-A117 PolarHBondContact O-N 3.3Å; S115-A117 PolarHBondContact O-N 2.92Å; A117-R120 PolarHBondContact O-N 3.14Å; A117-L121 WeakPolarHBondContact O-CG 3.37Å; A117-L121 PolarHBondContact O-N 3.15Å
118K94.9Very high96.6Very high140 Ų14037 Ų3761%0.60921%0.212SC*.Hα-helixtrans-64.2-41.3177.4-70.1172.8-176.1-178.70112.1C114 S115 S116 L121C114-K118 WeakPolarHBondContact O-CD 3.33Å; C114-K118 VanDerWaalsContact O-CG 3.3Å; C114-K118 WeakPolarHBondContact O-CG 3.19Å; C114-K118 PolarHBondContact O-N 3.43Å; S115-K118 PolarHBondContact O-N 2.91Å; S116-K118 PolarHBondContact O-N 3.44Å; K118-L121 PolarHBondContact O-N 3.16Å
119Q94.8Very high96.7Very high44 Ų4442.5 Ų42.521%0.20623%0.225CC..Hα-helixtrans-67.9-33.7177.7-70.2-179.356.800112.6S115 S116 L121 A122 F234S115-Q119 WeakPolarHBondContact O-CB 3.3Å; S115-Q119 VanDerWaalsContact O-CG 3.26Å; S115-Q119 WeakPolarHBondContact O-CG 3.45Å; S115-Q119 PolarHBondContact O-N 3.38Å; S115-Q119 PolarHBondContact OG-NE2 3.36Å; S116-Q119 PolarHBondContact O-N 3.32Å; S116-Q119 VanDerWaalsContact O-N 3.15Å; Q119-L121 VanDerWaalsContact C-N 3.35Å; Q119-A122 VanDerWaalsContact O-CB 3.3Å; Q119-A122 WeakPolarHBondContact O-CB 3.44Å; Q119-A122 PolarHBondContact O-N 3.31Å; Q119-F234 HydrophobicContact CB-CD2 3.9Å
120R96.9Very high96.8Very high19 Ų1941.6 Ų41.67%0.07222%0.217CC..Hα-helixtrans-65.5-37173.9-171.4-173.7-55.3101.56.1111.9L77 S81 E84 S116 A117 A122 L123 F234L77-R120 HydrophobicContact CD2-CG 3.82Å; S81-R120 WeakPolarHBondContact OG-CB 3.05Å; S81-R120 WeakPolarHBondContact OG-CD 3.25Å; S81-R120 PolarHBondContact OG-NH1 3.22Å; E84-R120 IonicContact OE1-CZ 2.61Å; E84-R120 IonicContact OE1-NH2 3.93Å; E84-R120 PolarHBondContact OE1-NH2 2.94Å; E84-R120 IonicContact OE2-CZ 3.96Å; E84-R120 IonicContact OE2-NH1 2.77Å; E84-R120 PolarHBondContact OE2-NH1 2.98Å; E84-R120 IonicContact OE2-NH2 3.15Å; E84-R120 PolarHBondContact OE2-NH2 3.01Å; S116-R120 WeakPolarHBondContact O-CB 3.21Å; S116-R120 PolarHBondContact O-N 3.46Å; A117-R120 PolarHBondContact O-N 3.14Å; R120-A122 PolarHBondContact O-N 3.13Å; R120-L123 HydrophobicContact CG-CD1 4.03Å; R120-L123 VanDerWaalsContact O-CB 3.22Å; R120-L123 WeakPolarHBondContact O-CB 3.46Å; R120-L123 VanDerWaalsContact O-CG 3.23Å; R120-L123 WeakPolarHBondContact O-CG 3.48Å; R120-L123 PolarHBondContact O-N 3.33Å; R120-F234 HydrophobicContact CB-CD2 4.14Å; R120-F234 HydrophobicContact CB-CE2 3.66Å; R120-F234 HydrophobicContact CB-CZ 3.99Å; R120-F234 HydrophobicContact CG-CE2 4.38Å; R120-F234 HydrophobicContact CG-CZ 4.23Å
121L96.5Very high96.8Very high73 Ų7344.6 Ų44.638%0.38223%0.23SC..Hα-helixtrans-62.4-24.8176-67.4174.9000112.8N78 A117 K118 Q119 L123 C124N78-L121 WeakPolarHBondContact OD1-CD2 3.45Å; A117-L121 WeakPolarHBondContact O-CG 3.37Å; A117-L121 PolarHBondContact O-N 3.15Å; K118-L121 PolarHBondContact O-N 3.16Å; Q119-L121 VanDerWaalsContact C-N 3.35Å; L121-L123 PolarHBondContact O-N 3.17Å; L121-L123 VanDerWaalsContact O-N 3.12Å; L121-C124 VanDerWaalsContact O-CB 3.32Å; L121-C124 WeakPolarHBondContact O-CB 3.14Å; L121-C124 PolarHBondContact O-N 3.33Å
122A95.3Very high96.8Very high48 Ų4844.2 Ų44.240%0.39723%0.23SC..THydrogen-bonded Turntrans-62.4-17.5173.500000113.4Q119 R120 C124 P126 T230Q119-A122 VanDerWaalsContact O-CB 3.3Å; Q119-A122 WeakPolarHBondContact O-CB 3.44Å; Q119-A122 PolarHBondContact O-N 3.31Å; R120-A122 PolarHBondContact O-N 3.13Å; A122-C124 VanDerWaalsContact C-N 3.28Å; A122-C124 PolarHBondContact O-N 3.33Å; A122-P126 WeakPolarHBondContact O-CD 3.41Å; A122-T230 HydrophobicContact CB-CG2 4.49Å
123L96.5Very high96.9Very high1 Ų145.9 Ų45.91%0.00524%0.237CC..THydrogen-bonded Turntrans-68.9-25.1172.1-58.2171.6000112.7L77 R120 L121 T125 P126 L127 Y227 T230 L231 F234L77-L123 HydrophobicContact CD1-CB 4.01Å; L77-L123 HydrophobicContact CD1-CD1 4.34Å; L77-L123 HydrophobicContact CD2-CD1 4.3Å; R120-L123 HydrophobicContact CG-CD1 4.03Å; R120-L123 VanDerWaalsContact O-CB 3.22Å; R120-L123 WeakPolarHBondContact O-CB 3.46Å; R120-L123 VanDerWaalsContact O-CG 3.23Å; R120-L123 WeakPolarHBondContact O-CG 3.48Å; R120-L123 PolarHBondContact O-N 3.33Å; L121-L123 PolarHBondContact O-N 3.17Å; L121-L123 VanDerWaalsContact O-N 3.12Å; L123-T125 PolarHBondContact O-N 3.43Å; L123-P126 VanDerWaalsContact O-CD 3.24Å; L123-P126 WeakPolarHBondContact O-CD 3.28Å; L123-P126 WeakPolarHBondContact O-CG 3.24Å; L123-L127 HydrophobicContact CB-CD1 4.29Å; L123-L127 WeakPolarHBondContact O-CB 3.32Å; L123-L127 WeakPolarHBondContact O-CD1 3.44Å; L123-L127 WeakPolarHBondContact O-CG 3.4Å; L123-L127 PolarHBondContact O-N 3.33Å; L123-L127 VanDerWaalsContact O-N 3.13Å; L123-Y227 HydrophobicContact CD2-CE2 4.42Å; L123-T230 HydrophobicContact CD2-CG2 3.75Å; L123-L231 HydrophobicContact CD1-CD1 3.81Å; L123-L231 HydrophobicContact CD2-CB 4Å; L123-L231 HydrophobicContact CD2-CD1 4.15Å; L123-F234 HydrophobicContact CD1-CD1 4.46Å
124C97.1Very high96.9Very high20 Ų2044.7 Ų44.714%0.13523%0.231CC..Hα-helixtrans-65.6-26.1-178.6-670000112.3N78 L121 A122 S128N78-C124 PolarHBondContact OD1-SG 2.98Å; N78-C124 VanDerWaalsContact OD1-SG 3.38Å; L121-C124 VanDerWaalsContact O-CB 3.32Å; L121-C124 WeakPolarHBondContact O-CB 3.14Å; L121-C124 PolarHBondContact O-N 3.33Å; A122-C124 VanDerWaalsContact C-N 3.28Å; A122-C124 PolarHBondContact O-N 3.33Å; C124-S128 WeakPolarHBondContact O-CB 3.46Å; C124-S128 PolarHBondContact O-N 3.03Å; C124-S128 PolarHBondContact O-OG 3.14Å
125T95.9Very high96.9Very high105 Ų10545 Ų4564%0.64424%0.235SC*.Hα-helixtrans-66.5-60.4175.3-57.80000113.1L123 L127 S128 R129L123-T125 PolarHBondContact O-N 3.43Å; T125-L127 VanDerWaalsContact C-N 3.28Å; T125-L127 PolarHBondContact O-N 2.8Å; T125-S128 PolarHBondContact O-N 2.71Å; T125-S128 VanDerWaalsContact O-N 3.15Å; T125-R129 PolarHBondContact O-N 3.26Å
126P97.2Very high97Very high12 Ų1246.2 Ų46.28%0.07824%0.241CC..Hα-helixtrans-64.9-30.4176.926.4-35.1000112.9A122 L123 R129 L130 T226 T230A122-P126 WeakPolarHBondContact O-CD 3.41Å; L123-P126 VanDerWaalsContact O-CD 3.24Å; L123-P126 WeakPolarHBondContact O-CD 3.28Å; L123-P126 WeakPolarHBondContact O-CG 3.24Å; P126-R129 PolarHBondContact O-N 2.67Å; P126-L130 WeakPolarHBondContact O-CB 3.46Å; P126-L130 PolarHBondContact O-N 2.63Å; P126-T226 HydrophobicContact CB-CG2 4.12Å; P126-T230 HydrophobicContact CG-CG2 4.45Å
127L97.9Very high97Very high3 Ų347 Ų472%0.01624%0.244CC..Hα-helixtrans-66-39.6172-71.3170.2000112.2V70 Y73 Q74 L77 L123 T125 R129 L130 K131 Y227V70-L127 HydrophobicContact CG1-CB 4.12Å; V70-L127 HydrophobicContact CG1-CD2 4.3Å; V70-L127 WeakPolarHBondContact CG1-O 3.33Å; Y73-L127 HydrophobicContact CD1-CD1 3.6Å; Y73-L127 HydrophobicContact CD1-CD2 3.92Å; Y73-L127 HydrophobicContact CD1-CG 4.44Å; Y73-L127 HydrophobicContact CE1-CD1 3.61Å; Y73-L127 HydrophobicContact CE1-CD2 4.09Å; Y73-L127 HydrophobicContact CE1-CG 4.49Å; Q74-L127 HydrophobicContact CG-CB 3.85Å; Q74-L127 HydrophobicContact CG-CD1 4.08Å; Q74-L127 PolarHBondContact NE2-O 3.46Å; L77-L127 HydrophobicContact CD1-CD1 3.39Å; L123-L127 HydrophobicContact CB-CD1 4.29Å; L123-L127 WeakPolarHBondContact O-CB 3.32Å; L123-L127 WeakPolarHBondContact O-CD1 3.44Å; L123-L127 WeakPolarHBondContact O-CG 3.4Å; L123-L127 PolarHBondContact O-N 3.33Å; L123-L127 VanDerWaalsContact O-N 3.13Å; T125-L127 VanDerWaalsContact C-N 3.28Å; T125-L127 PolarHBondContact O-N 2.8Å; L127-R129 VanDerWaalsContact C-N 3.33Å; L127-L130 PolarHBondContact O-N 2.75Å; L127-K131 WeakPolarHBondContact O-CB 3.45Å; L127-K131 PolarHBondContact O-N 2.93Å; L127-Y227 HydrophobicContact CD1-CD2 4.45Å; L127-Y227 HydrophobicContact CD1-CE2 4.14Å; L127-Y227 HydrophobicContact CD2-CD2 3.65Å; L127-Y227 HydrophobicContact CD2-CE2 3.69Å; L127-Y227 HydrophobicContact CD2-CG 4.16Å; L127-Y227 HydrophobicContact CG-CD2 3.78Å; L127-Y227 HydrophobicContact CG-CE2 3.92Å
128S97.4Very high96.9Very high54 Ų5447.7 Ų47.738%0.37825%0.248SC..Hα-helixtrans-65.7-38174.7-660000111.5Q74 C124 T125 K131 Q132Q74-S128 PolarHBondContact NE2-OG 3.45Å; Q74-S128 PolarHBondContact OE1-OG 2.71Å; C124-S128 WeakPolarHBondContact O-CB 3.46Å; C124-S128 PolarHBondContact O-N 3.03Å; C124-S128 PolarHBondContact O-OG 3.14Å; T125-S128 PolarHBondContact O-N 2.71Å; T125-S128 VanDerWaalsContact O-N 3.15Å; S128-K131 PolarHBondContact O-N 3.43Å; S128-Q132 WeakPolarHBondContact O-CB 3.26Å; S128-Q132 PolarHBondContact O-N 3.03Å
129R97.3Very high97Very high152 Ų15247.3 Ų47.357%0.57425%0.249SC*.Hα-helixtrans-63.4-48.3173.4-178.363.4-163.1-178.25.3112.1T125 P126 L127 K131 Q132 E133T125-R129 PolarHBondContact O-N 3.26Å; P126-R129 PolarHBondContact O-N 2.67Å; L127-R129 VanDerWaalsContact C-N 3.33Å; R129-K131 PolarHBondContact O-N 2.83Å; R129-Q132 PolarHBondContact O-N 3.15Å; R129-E133 IonicContact CZ-OE1 2.88Å; R129-E133 IonicContact NE-OE1 2.67Å; R129-E133 PolarHBondContact NE-OE1 2.85Å; R129-E133 IonicContact NH2-OE1 3.2Å; R129-E133 PolarHBondContact NH2-OE1 3.1Å; R129-E133 WeakPolarHBondContact O-CG 3.47Å; R129-E133 PolarHBondContact O-N 2.92Å
130L97.6Very high97.1Very high4 Ų454.1 Ų54.12%0.02127%0.273CS..Hα-helixtrans-55.8-48.9174.5173.265.3000111.4V70 P126 L127 Q132 E133 V134 L220 L224V70-L130 HydrophobicContact CG2-CD2 3.85Å; V70-L130 HydrophobicContact CG2-CG 4.42Å; P126-L130 WeakPolarHBondContact O-CB 3.46Å; P126-L130 PolarHBondContact O-N 2.63Å; L127-L130 PolarHBondContact O-N 2.75Å; L130-Q132 VanDerWaalsContact C-N 3.33Å; L130-Q132 PolarHBondContact O-N 3.04Å; L130-E133 PolarHBondContact O-N 2.66Å; L130-V134 HydrophobicContact CD1-CG2 4.02Å; L130-V134 WeakPolarHBondContact O-CG2 3.4Å; L130-V134 PolarHBondContact O-N 2.95Å; L130-L220 HydrophobicContact CD1-CD2 4Å; L130-L224 HydrophobicContact CD1-CD2 4.23Å; L130-L224 HydrophobicContact CD1-CG 4.45Å; L130-L224 HydrophobicContact CD2-CD2 3.76Å
131K97.9Very high97.2Very high64 Ų6454.7 Ų54.728%0.27828%0.281SS..Hα-helixtrans-54.5-48.9176-179.6-172.3171.4179.40111.4V67 V70 E71 L127 S128 R129 A135V67-K131 HydrophobicContact CG1-CG 4.26Å; V70-K131 HydrophobicContact CG1-CB 3.9Å; E71-K131 HydrophobicContact CG-CD 3.84Å; E71-K131 VanDerWaalsContact CG-CE 3.46Å; E71-K131 VanDerWaalsContact CG-NZ 3.34Å; E71-K131 WeakPolarHBondContact OE1-CE 3.39Å; E71-K131 IonicContact OE1-NZ 2.77Å; E71-K131 PolarHBondContact OE1-NZ 3.38Å; L127-K131 WeakPolarHBondContact O-CB 3.45Å; L127-K131 PolarHBondContact O-N 2.93Å; S128-K131 PolarHBondContact O-N 3.43Å; R129-K131 PolarHBondContact O-N 2.83Å; K131-A135 VanDerWaalsContact O-CB 3.26Å; K131-A135 WeakPolarHBondContact O-CB 3.3Å; K131-A135 PolarHBondContact O-N 3.17Å
132Q97.6Very high97.3Very high107 Ų10751.4 Ų51.450%0.526%0.264SS..Hα-helixtrans-67.1-37.5-178.1-175.356.769.100112.5S128 R129 L130 T136S128-Q132 WeakPolarHBondContact O-CB 3.26Å; S128-Q132 PolarHBondContact O-N 3.03Å; R129-Q132 PolarHBondContact O-N 3.15Å; L130-Q132 VanDerWaalsContact C-N 3.33Å; L130-Q132 PolarHBondContact O-N 3.04Å; Q132-T136 PolarHBondContact NE2-OG1 2.71Å; Q132-T136 VanDerWaalsContact NE2-OG1 3.09Å; Q132-T136 WeakPolarHBondContact O-CB 3.24Å; Q132-T136 PolarHBondContact O-N 3.49Å; Q132-T136 PolarHBondContact O-OG1 3.4Å
133E97.6Very high97.4Very high39 Ų3951.7 Ų51.718%0.18226%0.263CS..Hα-helixtrans-64.8-49.9175.3-74.4-177.5-179.800111.8R129 L130 A135 T136 F137 M219 S223R129-E133 IonicContact CZ-OE1 2.88Å; R129-E133 IonicContact NE-OE1 2.67Å; R129-E133 PolarHBondContact NE-OE1 2.85Å; R129-E133 IonicContact NH2-OE1 3.2Å; R129-E133 PolarHBondContact NH2-OE1 3.1Å; R129-E133 WeakPolarHBondContact O-CG 3.47Å; R129-E133 PolarHBondContact O-N 2.92Å; L130-E133 PolarHBondContact O-N 2.66Å; E133-A135 VanDerWaalsContact C-N 3.32Å; E133-A135 PolarHBondContact O-N 3.4Å; E133-T136 PolarHBondContact O-N 3.37Å; E133-F137 WeakPolarHBondContact O-CB 3.29Å; E133-F137 PolarHBondContact O-N 3.44Å; E133-M219 HydrophobicContact CB-CG 4.07Å; E133-M219 HydrophobicContact CB-SD 3.96Å; E133-S223 WeakPolarHBondContact OE2-CB 3.47Å; E133-S223 PolarHBondContact OE2-OG 2.84Å
134V98.1Very high97.5Very high1 Ų155.5 Ų55.51%0.00628%0.284CS..Hα-helixtrans-63.1-38.4178.8-179.40000111.3C63 L66 V67 L130 S138 M219 L220C63-V134 HydrophobicContact CB-CG1 4.03Å; C63-V134 VanDerWaalsContact O-CG1 3.32Å; C63-V134 WeakPolarHBondContact O-CG1 3.11Å; L66-V134 HydrophobicContact CD2-CG1 4.41Å; L66-V134 HydrophobicContact CD2-CG2 3.86Å; V67-V134 HydrophobicContact CG2-CB 4.11Å; V67-V134 HydrophobicContact CG2-CG1 3.74Å; L130-V134 HydrophobicContact CD1-CG2 4.02Å; L130-V134 WeakPolarHBondContact O-CG2 3.4Å; L130-V134 PolarHBondContact O-N 2.95Å; V134-S138 WeakPolarHBondContact O-CB 3.39Å; V134-S138 PolarHBondContact O-N 3.38Å; V134-S138 PolarHBondContact O-OG 3.3Å; V134-M219 HydrophobicContact CB-CE 4.41Å; V134-M219 HydrophobicContact CG2-CE 3.82Å; V134-L220 HydrophobicContact CG2-CD2 3.97Å
135A97.5Very high97.5Very high21 Ų2154.8 Ų54.817%0.17428%0.279CS..Hα-helixtrans-64-47174.100000112.1K131 E133 S138 Q139K131-A135 VanDerWaalsContact O-CB 3.26Å; K131-A135 WeakPolarHBondContact O-CB 3.3Å; K131-A135 PolarHBondContact O-N 3.17Å; E133-A135 VanDerWaalsContact C-N 3.32Å; E133-A135 PolarHBondContact O-N 3.4Å; A135-S138 PolarHBondContact O-N 2.97Å; A135-Q139 WeakPolarHBondContact O-CB 3.44Å; A135-Q139 VanDerWaalsContact O-CG 3.32Å; A135-Q139 WeakPolarHBondContact O-CG 3.41Å; A135-Q139 PolarHBondContact O-N 3.4Å
136T97.2Very high97.7Very high62 Ų6252.2 Ų52.238%0.3826%0.261SS..Hα-helixtrans-61.8-44.6176.6-630000111.7Q132 E133 S138 Q139 R140Q132-T136 PolarHBondContact NE2-OG1 2.71Å; Q132-T136 VanDerWaalsContact NE2-OG1 3.09Å; Q132-T136 WeakPolarHBondContact O-CB 3.24Å; Q132-T136 PolarHBondContact O-N 3.49Å; Q132-T136 PolarHBondContact O-OG1 3.4Å; E133-T136 PolarHBondContact O-N 3.37Å; T136-S138 VanDerWaalsContact C-N 3.32Å; T136-S138 PolarHBondContact O-N 3.01Å; T136-Q139 PolarHBondContact O-N 2.63Å; T136-R140 HydrophobicContact CG2-CG 4.26Å; T136-R140 WeakPolarHBondContact O-CB 3.36Å; T136-R140 VanDerWaalsContact O-CG 3.31Å; T136-R140 WeakPolarHBondContact O-CG 3.32Å; T136-R140 PolarHBondContact O-N 3.35Å
137F98Very high97.7Very high16 Ų1655 Ų557%0.0728%0.278CS..Hα-helixtrans-58.1-44.9175.7175.4-97000111.6I59 E133 R140 A141 I142 L212 R216 M219I59-F137 HydrophobicContact CG2-CE1 4.32Å; E133-F137 WeakPolarHBondContact O-CB 3.29Å; E133-F137 PolarHBondContact O-N 3.44Å; F137-R140 PolarHBondContact O-N 2.91Å; F137-A141 HydrophobicContact CD2-CB 3.93Å; F137-A141 HydrophobicContact CE2-CB 3.93Å; F137-A141 PolarHBondContact O-N 3.23Å; F137-I142 HydrophobicContact CD1-CD1 3.9Å; F137-I142 HydrophobicContact CD1-CG1 3.96Å; F137-I142 HydrophobicContact CE1-CD1 3.71Å; F137-I142 HydrophobicContact CE1-CG1 3.69Å; F137-I142 HydrophobicContact CZ-CG1 4.39Å; F137-I142 PolarHBondContact O-N 3.39Å; F137-L212 HydrophobicContact CE1-CD1 4.16Å; F137-L212 HydrophobicContact CE2-CD1 3.79Å; F137-L212 HydrophobicContact CZ-CD1 3.4Å; F137-L212 HydrophobicContact CZ-CG 3.86Å; F137-R216 HydrophobicContact CE1-CB 4.09Å; F137-R216 HydrophobicContact CE1-CG 4.08Å; F137-R216 HydrophobicContact CE2-CB 4.29Å; F137-R216 HydrophobicContact CZ-CB 3.65Å; F137-R216 HydrophobicContact CZ-CG 4.17Å; F137-M219 HydrophobicContact CB-CE 4.03Å; F137-M219 HydrophobicContact CB-SD 3.54Å; F137-M219 VanDerWaalsContact CB-SD 3.54Å; F137-M219 HydrophobicContact CD1-CE 4.15Å; F137-M219 HydrophobicContact CD2-CE 4.49Å; F137-M219 HydrophobicContact CD2-SD 4.29Å; F137-M219 HydrophobicContact CG-CE 3.98Å; F137-M219 HydrophobicContact CG-SD 3.96Å
138S96.6Very high97.7Very high16 Ų1655.5 Ų55.511%0.11228%0.281CS..Iπ-helixtrans-64.8-45.7177.9-55.10000112.1V134 A135 T136 R140 S143V134-S138 WeakPolarHBondContact O-CB 3.39Å; V134-S138 PolarHBondContact O-N 3.38Å; V134-S138 PolarHBondContact O-OG 3.3Å; A135-S138 PolarHBondContact O-N 2.97Å; T136-S138 VanDerWaalsContact C-N 3.32Å; T136-S138 PolarHBondContact O-N 3.01Å; S138-R140 VanDerWaalsContact C-N 3.33Å; S138-R140 PolarHBondContact O-N 3.3Å; S138-S143 PolarHBondContact O-OG 2.94Å
139Q96.4Very high97.8Very high132 Ų13253.2 Ų53.262%0.61726%0.264SS*.Iπ-helixtrans-68-28178.9-71.7176.36.600113.8A135 T136 S143A135-Q139 WeakPolarHBondContact O-CB 3.44Å; A135-Q139 VanDerWaalsContact O-CG 3.32Å; A135-Q139 WeakPolarHBondContact O-CG 3.41Å; A135-Q139 PolarHBondContact O-N 3.4Å; T136-Q139 PolarHBondContact O-N 2.63Å; Q139-S143 VanDerWaalsContact O-CB 3.27Å; Q139-S143 WeakPolarHBondContact O-CB 3.26Å; Q139-S143 PolarHBondContact O-OG 2.74Å
140R97.4Very high97.8Very high187 Ų18749.9 Ų49.971%0.70626%0.258SS*.Iπ-helixtrans-105.1-66.6-174.6-59.4-64.6-176.6150.21.3113T136 F137 S138 D144T136-R140 HydrophobicContact CG2-CG 4.26Å; T136-R140 WeakPolarHBondContact O-CB 3.36Å; T136-R140 VanDerWaalsContact O-CG 3.31Å; T136-R140 WeakPolarHBondContact O-CG 3.32Å; T136-R140 PolarHBondContact O-N 3.35Å; F137-R140 PolarHBondContact O-N 2.91Å; S138-R140 VanDerWaalsContact C-N 3.33Å; S138-R140 PolarHBondContact O-N 3.3Å; R140-D144 PolarHBondContact O-N 3.44Å
141A97.9Very high97.9Very high31 Ų3156.5 Ų56.526%0.25628%0.283SS..Iπ-helixtrans-75.4-42.2-169.400000112.5F137 T145 L212F137-A141 HydrophobicContact CD2-CB 3.93Å; F137-A141 HydrophobicContact CE2-CB 3.93Å; F137-A141 PolarHBondContact O-N 3.23Å; A141-T145 WeakPolarHBondContact O-CB 3.49Å; A141-T145 PolarHBondContact O-N 2.95Å; A141-T145 VanDerWaalsContact O-N 3.12Å; A141-T145 PolarHBondContact O-OG1 3.18Å; A141-L212 HydrophobicContact CB-CD1 3.54Å
142I98.3Very high97.9Very high4 Ų453.5 Ų53.52%0.02127%0.269CS..Iπ-helixtrans-67.5-41.9176.4-51-174.1000109.9F56 I59 Q60 C63 F137 T145 L146 L212F56-I142 HydrophobicContact CE2-CG2 3.64Å; F56-I142 HydrophobicContact CZ-CG2 3.68Å; I59-I142 HydrophobicContact CG2-CD1 4.23Å; Q60-I142 HydrophobicContact CB-CG2 3.9Å; Q60-I142 HydrophobicContact CG-CG2 3.94Å; C63-I142 HydrophobicContact CB-CD1 3.96Å; F137-I142 HydrophobicContact CD1-CD1 3.9Å; F137-I142 HydrophobicContact CD1-CG1 3.96Å; F137-I142 HydrophobicContact CE1-CD1 3.71Å; F137-I142 HydrophobicContact CE1-CG1 3.69Å; F137-I142 HydrophobicContact CZ-CG1 4.39Å; F137-I142 PolarHBondContact O-N 3.39Å; I142-T145 PolarHBondContact O-N 2.92Å; I142-L146 WeakPolarHBondContact O-CB 3.34Å; I142-L146 PolarHBondContact O-N 3.09Å; I142-L212 HydrophobicContact CG1-CD1 4.12Å; I142-L212 HydrophobicContact CG1-CD2 4.35Å
143S98.1Very high97.9Very high54 Ų5450.2 Ų50.238%0.37825%0.254SS..Hα-helixtrans-60.2-46175.8-59.80000114.2S138 Q139 L146 V147S138-S143 PolarHBondContact O-OG 2.94Å; Q139-S143 VanDerWaalsContact O-CB 3.27Å; Q139-S143 WeakPolarHBondContact O-CB 3.26Å; Q139-S143 PolarHBondContact O-OG 2.74Å; S143-L146 WeakPolarHBondContact O-CB 3.49Å; S143-L146 PolarHBondContact O-N 3.42Å; S143-V147 WeakPolarHBondContact O-CG2 3.48Å; S143-V147 PolarHBondContact O-N 2.85Å
144D98.2Very high97.8Very high81 Ų8155.7 Ų55.743%0.43327%0.273SS..Hα-helixtrans-65.8-39176.7168.470.3000112.2R140 L146 V147 T148 K208R140-D144 PolarHBondContact O-N 3.44Å; D144-L146 VanDerWaalsContact C-N 3.35Å; D144-V147 PolarHBondContact O-N 3.31Å; D144-T148 PolarHBondContact O-N 2.98Å; D144-T148 VanDerWaalsContact O-N 3.11Å; D144-T148 PolarHBondContact O-OG1 3.32Å; D144-K208 VanDerWaalsContact CG-NZ 3.27Å; D144-K208 IonicContact OD1-NZ 2.59Å; D144-K208 PolarHBondContact OD1-NZ 3.39Å; D144-K208 VanDerWaalsContact OD1-NZ 3.15Å; D144-K208 WeakPolarHBondContact OD2-CE 3.36Å; D144-K208 IonicContact OD2-NZ 3.35Å; D144-K208 PolarHBondContact OD2-NZ 3.24Å
145T98.4Very high97.8Very high6 Ų656.1 Ų56.14%0.03728%0.277CS..Hα-helixtrans-62.8-43.8174.1-54.80000110.4F56 A141 I142 V147 T148 I149 K208 V209 L212F56-T145 HydrophobicContact CD2-CG2 3.61Å; F56-T145 HydrophobicContact CE2-CG2 3.71Å; A141-T145 WeakPolarHBondContact O-CB 3.49Å; A141-T145 PolarHBondContact O-N 2.95Å; A141-T145 VanDerWaalsContact O-N 3.12Å; A141-T145 PolarHBondContact O-OG1 3.18Å; I142-T145 PolarHBondContact O-N 2.92Å; T145-V147 PolarHBondContact O-N 3.45Å; T145-T148 CarbonylContact O-C 3.57Å; T145-T148 WeakPolarHBondContact O-CA 3.35Å; T145-T148 WeakPolarHBondContact O-CB 3.32Å; T145-T148 PolarHBondContact O-N 3.09Å; T145-I149 HydrophobicContact CG2-CD1 4.05Å; T145-I149 WeakPolarHBondContact O-CG1 3.32Å; T145-I149 PolarHBondContact O-N 3.14Å; T145-K208 HydrophobicContact CG2-CB 4.13Å; T145-V209 HydrophobicContact CG2-CG2 4.01Å; T145-L212 HydrophobicContact CG2-CD2 4.16Å
146L98.4Very high97.8Very high50 Ų5055.5 Ų55.526%0.26227%0.27SS..Hα-helixtrans-61.5-40.4175.3-176.158.7000112.8F56 I142 S143 D144 T148 I149 N150F56-L146 HydrophobicContact CE1-CD1 4.07Å; F56-L146 HydrophobicContact CZ-CB 3.91Å; F56-L146 HydrophobicContact CZ-CD1 4.19Å; I142-L146 WeakPolarHBondContact O-CB 3.34Å; I142-L146 PolarHBondContact O-N 3.09Å; S143-L146 WeakPolarHBondContact O-CB 3.49Å; S143-L146 PolarHBondContact O-N 3.42Å; D144-L146 VanDerWaalsContact C-N 3.35Å; L146-T148 PolarHBondContact O-N 3.45Å; L146-I149 PolarHBondContact O-N 3.02Å; L146-N150 VanDerWaalsContact O-CB 3.29Å; L146-N150 WeakPolarHBondContact O-CB 3.18Å; L146-N150 VanDerWaalsContact O-CG 3.28Å; L146-N150 PolarHBondContact O-N 2.98Å; L146-N150 PolarHBondContact O-ND2 3.35Å
147V98.4Very high97.7Very high71 Ų7153.5 Ų53.543%0.4326%0.258SS..Hα-helixtrans-61.5-32.1173.3168.30000111.4S143 D144 T145 R151S143-V147 WeakPolarHBondContact O-CG2 3.48Å; S143-V147 PolarHBondContact O-N 2.85Å; D144-V147 PolarHBondContact O-N 3.31Å; T145-V147 PolarHBondContact O-N 3.45Å; V147-R151 WeakPolarHBondContact O-CG 3.13Å; V147-R151 PolarHBondContact O-N 3.2Å
148T98.2Very high97.6Very high13 Ų1355 Ų558%0.0827%0.265CS..Hα-helixtrans-76.1-44.7177.6-47.30000111.2D144 T145 L146 N150 R151 M152 D204 V205 K208D144-T148 PolarHBondContact O-N 2.98Å; D144-T148 VanDerWaalsContact O-N 3.11Å; D144-T148 PolarHBondContact O-OG1 3.32Å; T145-T148 CarbonylContact O-C 3.57Å; T145-T148 WeakPolarHBondContact O-CA 3.35Å; T145-T148 WeakPolarHBondContact O-CB 3.32Å; T145-T148 PolarHBondContact O-N 3.09Å; L146-T148 PolarHBondContact O-N 3.45Å; T148-N150 VanDerWaalsContact C-N 3.32Å; T148-N150 PolarHBondContact O-N 3.48Å; T148-R151 WeakPolarHBondContact O-CB 3.32Å; T148-R151 PolarHBondContact O-N 2.85Å; T148-M152 PolarHBondContact O-N 2.91Å; T148-D204 HydrophobicContact CG2-CB 4.35Å; T148-V205 HydrophobicContact CG2-CG2 4.09Å; T148-K208 HydrophobicContact CG2-CD 4.1Å; T148-K208 WeakPolarHBondContact OG1-CD 3.49Å; T148-K208 PolarHBondContact OG1-NZ 2.71Å
149I98.6Very high97.6Very high6 Ų655.9 Ų55.93%0.03127%0.266CS..Hα-helixtrans-57.3-44.3172-70.2167.5000110.8L53 F56 T145 L146 R151 M152 E153 V205L53-I149 HydrophobicContact CD2-CB 4.4Å; L53-I149 HydrophobicContact CD2-CD1 3.89Å; L53-I149 HydrophobicContact CD2-CG1 3.87Å; L53-I149 HydrophobicContact CD2-CG2 3.66Å; F56-I149 HydrophobicContact CB-CD1 4.02Å; F56-I149 HydrophobicContact CD1-CD1 3.44Å; F56-I149 VanDerWaalsContact CD1-CD1 3.44Å; F56-I149 HydrophobicContact CD2-CD1 3.66Å; F56-I149 HydrophobicContact CE1-CD1 3.82Å; F56-I149 HydrophobicContact CE2-CD1 4.01Å; F56-I149 HydrophobicContact CG-CD1 3.38Å; F56-I149 HydrophobicContact CZ-CD1 4.1Å; T145-I149 HydrophobicContact CG2-CD1 4.05Å; T145-I149 WeakPolarHBondContact O-CG1 3.32Å; T145-I149 PolarHBondContact O-N 3.14Å; L146-I149 PolarHBondContact O-N 3.02Å; I149-R151 PolarHBondContact O-N 3.37Å; I149-M152 HydrophobicContact CG2-CE 4.48Å; I149-M152 CarbonylContact O-C 3.56Å; I149-M152 WeakPolarHBondContact O-CA 3.12Å; I149-M152 WeakPolarHBondContact O-CB 3.46Å; I149-M152 PolarHBondContact O-N 2.66Å; I149-M152 VanDerWaalsContact O-N 3.07Å; I149-E153 PolarHBondContact O-N 3.43Å; I149-V205 HydrophobicContact CG1-CG1 3.82Å; I149-V205 HydrophobicContact CG1-CG2 3.94Å
150N98.3Very high97.5Very high82 Ų8250.7 Ų50.744%0.43924%0.241SC..Hα-helixtrans-68.3-11.7176.1-75.1-32.7000114.2L146 T148 R154L146-N150 VanDerWaalsContact O-CB 3.29Å; L146-N150 WeakPolarHBondContact O-CB 3.18Å; L146-N150 VanDerWaalsContact O-CG 3.28Å; L146-N150 PolarHBondContact O-N 2.98Å; L146-N150 PolarHBondContact O-ND2 3.35Å; T148-N150 VanDerWaalsContact C-N 3.32Å; T148-N150 PolarHBondContact O-N 3.48Å; N150-R154 PolarHBondContact O-NE 2.82Å; N150-R154 PolarHBondContact O-NH2 3.46Å
151R98.4Very high97.4Very high144 Ų14441.9 Ų41.954%0.54321%0.208SC..Hα-helixtrans-87.1-44166.1-68.9168-173.3-153.41.3110.3V147 T148 I149 R154 A155 L201V147-R151 WeakPolarHBondContact O-CG 3.13Å; V147-R151 PolarHBondContact O-N 3.2Å; T148-R151 WeakPolarHBondContact O-CB 3.32Å; T148-R151 PolarHBondContact O-N 2.85Å; I149-R151 PolarHBondContact O-N 3.37Å; R151-R154 PolarHBondContact O-N 3.02Å; R151-A155 PolarHBondContact O-N 3.24Å; R151-A155 VanDerWaalsContact O-N 3.08Å; R151-L201 HydrophobicContact CB-CD1 4.39Å; R151-L201 HydrophobicContact CB-CD2 4.1Å
152M98.3Very high97.3Very high0 Ų040.6 Ų40.60%020%0.197CC..Hα-helixtrans-57.8-51.8176-178.3-71.3-69.300112.2L49 L53 T148 I149 R154 A155 R156 F198 L201 V205L49-M152 HydrophobicContact CD1-CE 4.38Å; L49-M152 HydrophobicContact CD2-CE 4.08Å; L49-M152 HydrophobicContact CD2-CG 4.25Å; L49-M152 HydrophobicContact CD2-SD 3.62Å; L49-M152 HydrophobicContact CG-CE 4.28Å; L49-M152 HydrophobicContact CG-SD 4.45Å; L53-M152 HydrophobicContact CD1-CE 3.85Å; L53-M152 HydrophobicContact CD2-CE 3.94Å; L53-M152 HydrophobicContact CG-CE 4.35Å; T148-M152 PolarHBondContact O-N 2.91Å; I149-M152 HydrophobicContact CG2-CE 4.48Å; I149-M152 CarbonylContact O-C 3.56Å; I149-M152 WeakPolarHBondContact O-CA 3.12Å; I149-M152 WeakPolarHBondContact O-CB 3.46Å; I149-M152 PolarHBondContact O-N 2.66Å; I149-M152 VanDerWaalsContact O-N 3.07Å; M152-R154 PolarHBondContact O-N 3.4Å; M152-A155 CarbonylContact O-C 3.59Å; M152-A155 WeakPolarHBondContact O-CA 3.37Å; M152-A155 WeakPolarHBondContact O-CB 3.5Å; M152-A155 PolarHBondContact O-N 3.48Å; M152-R156 WeakPolarHBondContact O-CB 3.38Å; M152-R156 PolarHBondContact O-N 3.02Å; M152-R156 HydrophobicContact SD-CB 4.19Å; M152-F198 HydrophobicContact CG-CE2 4.3Å; M152-F198 HydrophobicContact SD-CD2 4.43Å; M152-F198 HydrophobicContact SD-CE2 3.82Å; M152-L201 HydrophobicContact CB-CB 3.99Å; M152-L201 HydrophobicContact CG-CB 4.22Å; M152-V205 HydrophobicContact CB-CG2 3.62Å; M152-V205 HydrophobicContact CG-CG2 3.97Å
153E97.6Very high97.1Very high39 Ų3942 Ų4218%0.18221%0.205CC..Hα-helixtrans-58.4-33.7-179.4-91-64.9112.200112.4K32 I149 R156 T157K32-E153 IonicContact NZ-OE2 2.66Å; K32-E153 PolarHBondContact NZ-OE2 3.34Å; I149-E153 PolarHBondContact O-N 3.43Å; E153-R156 WeakPolarHBondContact OE1-CD 3.48Å; E153-R156 IonicContact OE1-CZ 3.17Å; E153-R156 IonicContact OE1-NE 2.72Å; E153-R156 IonicContact OE1-NH1 3.67Å; E153-R156 PolarHBondContact OE1-NH1 2.94Å; E153-T157 VanDerWaalsContact O-CB 3.3Å; E153-T157 WeakPolarHBondContact O-CB 3.31Å; E153-T157 PolarHBondContact O-N 3.28Å; E153-T157 PolarHBondContact O-OG1 3.39Å
154R96.5Very high96.9Very high154 Ų15441.6 Ų41.658%0.58120%0.198SC*.Hα-helixtrans-70.5-42.5173.8-77-176.9-72.4162-2.9111.8N150 R151 M152 T157 E158N150-R154 PolarHBondContact O-NE 2.82Å; N150-R154 PolarHBondContact O-NH2 3.46Å; R151-R154 PolarHBondContact O-N 3.02Å; M152-R154 PolarHBondContact O-N 3.4Å; R154-T157 PolarHBondContact O-N 3.29Å; R154-E158 WeakPolarHBondContact O-CG 3.3Å; R154-E158 PolarHBondContact O-N 3.12Å
155A97.4Very high96.7Very high10 Ų1039 Ų398%0.08318%0.182CC..Hα-helixtrans-64.5-41.9174.900000112.2R151 M152 E158 Y159 F198 L201R151-A155 PolarHBondContact O-N 3.24Å; R151-A155 VanDerWaalsContact O-N 3.08Å; M152-A155 CarbonylContact O-C 3.59Å; M152-A155 WeakPolarHBondContact O-CA 3.37Å; M152-A155 WeakPolarHBondContact O-CB 3.5Å; M152-A155 PolarHBondContact O-N 3.48Å; A155-E158 PolarHBondContact O-N 3.04Å; A155-Y159 WeakPolarHBondContact O-CB 3.47Å; A155-Y159 PolarHBondContact O-N 2.67Å; A155-F198 HydrophobicContact CB-CB 4.18Å; A155-L201 HydrophobicContact CB-CD1 3.62Å
156R96.8Very high96.4Very high8 Ų841.2 Ų41.23%0.0319%0.193CC..Hα-helixtrans-56.1-49171.6-174.7-175.3-115.3-174.3-12.2111.5D46 D50 M152 E153 E158 Y159 R160 F198D46-R156 VanDerWaalsContact CG-NE 3.35Å; D46-R156 PolarHBondContact O-NH2 3.26Å; D46-R156 IonicContact OD1-CZ 2.71Å; D46-R156 IonicContact OD1-NE 2.88Å; D46-R156 PolarHBondContact OD1-NE 3.1Å; D46-R156 IonicContact OD1-NH2 2.74Å; D46-R156 PolarHBondContact OD1-NH2 3.07Å; D46-R156 IonicContact OD2-NE 3.37Å; D50-R156 IonicContact OD1-CZ 3.14Å; D50-R156 IonicContact OD1-NH1 2.66Å; D50-R156 PolarHBondContact OD1-NH1 3.04Å; D50-R156 IonicContact OD1-NH2 2.82Å; D50-R156 PolarHBondContact OD1-NH2 3.13Å; D50-R156 IonicContact OD2-NH2 2.74Å; M152-R156 WeakPolarHBondContact O-CB 3.38Å; M152-R156 PolarHBondContact O-N 3.02Å; M152-R156 HydrophobicContact SD-CB 4.19Å; E153-R156 WeakPolarHBondContact OE1-CD 3.48Å; E153-R156 IonicContact OE1-CZ 3.17Å; E153-R156 IonicContact OE1-NE 2.72Å; E153-R156 IonicContact OE1-NH1 3.67Å; E153-R156 PolarHBondContact OE1-NH1 2.94Å; R156-E158 PolarHBondContact O-N 3.48Å; R156-Y159 PolarHBondContact O-N 3.01Å; R156-R160 WeakPolarHBondContact O-CG 3.41Å; R156-R160 PolarHBondContact O-N 2.91Å; R156-F198 HydrophobicContact CB-CD2 3.75Å; R156-F198 HydrophobicContact CB-CE2 3.53Å; R156-F198 HydrophobicContact CB-CZ 4.27Å; R156-F198 HydrophobicContact CG-CD2 4.43Å; R156-F198 HydrophobicContact CG-CE2 3.81Å; R156-F198 HydrophobicContact CG-CZ 4.07Å
157T95.4Very high96.1Very high20 Ų2043.4 Ų43.412%0.12320%0.2CC..Hα-helixtrans-64.1-37.9177.3-58.90000112.1R25 Q28 V29 E153 R154 G161R25-T157 HydrophobicContact CG-CG2 4.02Å; Q28-T157 HydrophobicContact CB-CG2 4.49Å; Q28-T157 HydrophobicContact CG-CG2 4.09Å; V29-T157 HydrophobicContact CG2-CG2 3.57Å; E153-T157 VanDerWaalsContact O-CB 3.3Å; E153-T157 WeakPolarHBondContact O-CB 3.31Å; E153-T157 PolarHBondContact O-N 3.28Å; E153-T157 PolarHBondContact O-OG1 3.39Å; R154-T157 PolarHBondContact O-N 3.29Å; T157-G161 PolarHBondContact O-N 2.94Å
158E95.6Very high95.7Very high47 Ų4742.8 Ų42.822%0.2219%0.194CC..Hα-helixtrans-67.6-41.6174.2-78.9-174.7-154.200112.9K21 R25 R154 A155 R156 G161 A162K21-E158 WeakPolarHBondContact CE-OE2 3.46Å; K21-E158 IonicContact NZ-OE2 2.66Å; K21-E158 PolarHBondContact NZ-OE2 3.09Å; R25-E158 HydrophobicContact CG-CG 3.98Å; R25-E158 IonicContact CZ-OE1 3.43Å; R25-E158 IonicContact NE-OE1 3.14Å; R25-E158 PolarHBondContact NE-OE1 2.62Å; R25-E158 VanDerWaalsContact NH2-CD 3.28Å; R25-E158 IonicContact NH2-OE1 2.69Å; R25-E158 PolarHBondContact NH2-OE1 3.44Å; R25-E158 IonicContact NH2-OE2 3.33Å; R154-E158 WeakPolarHBondContact O-CG 3.3Å; R154-E158 PolarHBondContact O-N 3.12Å; A155-E158 PolarHBondContact O-N 3.04Å; R156-E158 PolarHBondContact O-N 3.48Å; E158-G161 PolarHBondContact O-N 2.84Å; E158-A162 WeakPolarHBondContact O-CB 3.49Å; E158-A162 PolarHBondContact O-N 2.87Å
159Y96.9Very high95.3Very high35 Ų3543.1 Ų43.114%0.13720%0.198CC..Hα-helixtrans-65.1-49.4176.3173.1-125.5000111.6A155 R156 G161 A162 L163 V191 K195 F198A155-Y159 WeakPolarHBondContact O-CB 3.47Å; A155-Y159 PolarHBondContact O-N 2.67Å; R156-Y159 PolarHBondContact O-N 3.01Å; Y159-G161 VanDerWaalsContact C-N 3.32Å; Y159-G161 PolarHBondContact O-N 3.3Å; Y159-A162 PolarHBondContact O-N 3.06Å; Y159-A162 VanDerWaalsContact O-N 3.14Å; Y159-L163 HydrophobicContact CD1-CD1 4.43Å; Y159-L163 HydrophobicContact CD2-CD1 4.49Å; Y159-L163 HydrophobicContact CD2-CG 4.24Å; Y159-L163 HydrophobicContact CE1-CD1 3.91Å; Y159-L163 HydrophobicContact CE2-CD1 3.98Å; Y159-L163 HydrophobicContact CE2-CD2 3.93Å; Y159-L163 HydrophobicContact CE2-CG 3.85Å; Y159-L163 WeakPolarHBondContact O-CG 3.32Å; Y159-L163 PolarHBondContact O-N 3.28Å; Y159-V191 HydrophobicContact CE2-CG1 4.07Å; Y159-K195 HydrophobicContact CD2-CB 3.73Å; Y159-K195 HydrophobicContact CD2-CG 4.22Å; Y159-K195 HydrophobicContact CE1-CG 4.35Å; Y159-K195 HydrophobicContact CE2-CB 3.51Å; Y159-K195 HydrophobicContact CE2-CD 4.03Å; Y159-K195 HydrophobicContact CE2-CG 3.68Å; Y159-F198 AromaticContact CD1-CD1 3.72Å; Y159-F198 HydrophobicContact CD1-CD1 3.72Å; Y159-F198 HydrophobicContact CD1-CE1 4.2Å; Y159-F198 HydrophobicContact CD1-CG 4.46Å; Y159-F198 HydrophobicContact CE1-CD1 4.27Å; Y159-F198 HydrophobicContact CG-CD1 4.41Å
160R95.4Very high94.7Very high23 Ų2345.6 Ų45.69%0.08722%0.217CC..Hα-helixtrans-59.9-41174.4-67.6-164.1-178.9-172.81.3111.9Q28 E38 V42 D46 R156 A162 L163 L164Q28-R160 VanDerWaalsContact CD-CB 3.49Å; Q28-R160 HydrophobicContact CG-CB 3.87Å; E38-R160 VanDerWaalsContact CD-NH1 3.28Å; E38-R160 IonicContact OE1-NH1 2.67Å; E38-R160 PolarHBondContact OE1-NH1 3.23Å; E38-R160 WeakPolarHBondContact OE2-CD 3.5Å; E38-R160 IonicContact OE2-CZ 3.72Å; E38-R160 IonicContact OE2-NE 2.89Å; E38-R160 IonicContact OE2-NH1 2.69Å; E38-R160 PolarHBondContact OE2-NH1 3.3Å; V42-R160 HydrophobicContact CG1-CG 3.82Å; D46-R160 IonicContact OD2-CZ 2.64Å; D46-R160 IonicContact OD2-NE 2.71Å; D46-R160 PolarHBondContact OD2-NE 3.36Å; D46-R160 VanDerWaalsContact OD2-NE 3.14Å; D46-R160 IonicContact OD2-NH2 3.84Å; D46-R160 PolarHBondContact OD2-NH2 3.25Å; R156-R160 WeakPolarHBondContact O-CG 3.41Å; R156-R160 PolarHBondContact O-N 2.91Å; R160-A162 PolarHBondContact O-N 3.41Å; R160-L163 PolarHBondContact O-N 2.85Å; R160-L164 PolarHBondContact O-N 2.74Å
161G94.7Very high94.1Very high1 Ų149 Ų491%0.0123%0.23CC..Hα-helixtrans-61.7-40.3173.200000113.6T157 E158 Y159 L164 W165T157-G161 PolarHBondContact O-N 2.94Å; E158-G161 PolarHBondContact O-N 2.84Å; Y159-G161 VanDerWaalsContact C-N 3.32Å; Y159-G161 PolarHBondContact O-N 3.3Å; G161-L164 PolarHBondContact O-N 3.41Å; G161-W165 PolarHBondContact O-N 3.08Å
162A95.2Very high93.2Very high5 Ų549.2 Ų49.24%0.04124%0.237CC..Hα-helixtrans-68.2-36.2174.800000112.4E158 Y159 R160 W165 M166 V191E158-A162 WeakPolarHBondContact O-CB 3.49Å; E158-A162 PolarHBondContact O-N 2.87Å; Y159-A162 PolarHBondContact O-N 3.06Å; Y159-A162 VanDerWaalsContact O-N 3.14Å; R160-A162 PolarHBondContact O-N 3.41Å; A162-W165 PolarHBondContact O-N 3.32Å; A162-M166 PolarHBondContact O-N 3.11Å; A162-V191 HydrophobicContact CB-CG2 3.77Å; A162-V191 VanDerWaalsContact O-CG2 3.29Å; A162-V191 WeakPolarHBondContact O-CG2 3.47Å
163L94.4Very high92.3Very high34 Ų3451.5 Ų51.518%0.17825%0.249CC..Hα-helixtrans-63.1-43.2172.3-70.7177.2000111.8V42 Y159 R160 W165 M166 K167 V191V42-L163 HydrophobicContact CG1-CD1 4.36Å; V42-L163 HydrophobicContact CG2-CD1 3.91Å; Y159-L163 HydrophobicContact CD1-CD1 4.43Å; Y159-L163 HydrophobicContact CD2-CD1 4.49Å; Y159-L163 HydrophobicContact CD2-CG 4.24Å; Y159-L163 HydrophobicContact CE1-CD1 3.91Å; Y159-L163 HydrophobicContact CE2-CD1 3.98Å; Y159-L163 HydrophobicContact CE2-CD2 3.93Å; Y159-L163 HydrophobicContact CE2-CG 3.85Å; Y159-L163 WeakPolarHBondContact O-CG 3.32Å; Y159-L163 PolarHBondContact O-N 3.28Å; R160-L163 PolarHBondContact O-N 2.85Å; L163-W165 VanDerWaalsContact C-N 3.32Å; L163-W165 PolarHBondContact O-N 3.44Å; L163-M166 HydrophobicContact CD2-CE 4Å; L163-M166 PolarHBondContact O-N 2.95Å; L163-K167 WeakPolarHBondContact O-CB 3.46Å; L163-K167 PolarHBondContact O-N 3.46Å; L163-V191 HydrophobicContact CD2-CG1 3.82Å
164L92.9Very high91.4Very high44 Ų4452.5 Ų52.523%0.2326%0.255CS..Hα-helixtrans-59.3-43.3173.3-72-176.8000111.7W24 Q28 I31 R160 G161 M166 K167 D168W24-L164 HydrophobicContact CE3-CB 3.79Å; W24-L164 HydrophobicContact CZ3-CB 3.82Å; Q28-L164 HydrophobicContact CB-CD1 4.32Å; I31-L164 HydrophobicContact CD1-CD1 3.6Å; R160-L164 PolarHBondContact O-N 2.74Å; G161-L164 PolarHBondContact O-N 3.41Å; L164-M166 VanDerWaalsContact C-N 3.35Å; L164-K167 PolarHBondContact O-N 3.48Å; L164-D168 WeakPolarHBondContact O-CB 3.44Å; L164-D168 PolarHBondContact O-N 3.5Å
165W93.9Very high90.4Very high27 Ų2749.4 Ų49.410%0.10226%0.255CS..Hα-helixtrans-63.2-40.1175.6-169.37.2000112Q20 W24 G161 A162 L163 A169 V187 Q190Q20-W165 HydrophobicContact CB-CH2 3.51Å; Q20-W165 HydrophobicContact CB-CZ2 3.59Å; Q20-W165 HydrophobicContact CB-CZ3 4.19Å; Q20-W165 HydrophobicContact CG-CZ2 4.2Å; W24-W165 HydrophobicContact CB-CB 4.27Å; W24-W165 AromaticContact CD1-CD1 3.72Å; W24-W165 AromaticContact CD1-CD2 3.4Å; W24-W165 AromaticContact CD1-CE2 3.91Å; W24-W165 AromaticContact CD1-CE3 3.83Å; W24-W165 AromaticContact CD1-CG 3.3Å; W24-W165 HydrophobicContact CD2-CB 3.66Å; W24-W165 HydrophobicContact CD2-CG 4.04Å; W24-W165 AromaticContact CE2-CD1 3.64Å; W24-W165 AromaticContact CE2-CG 3.75Å; W24-W165 HydrophobicContact CE3-CB 4.25Å; W24-W165 HydrophobicContact CG-CB 3.62Å; W24-W165 HydrophobicContact CG-CD2 4.19Å; W24-W165 HydrophobicContact CG-CE3 4.48Å; W24-W165 AromaticContact CG-CG 3.83Å; W24-W165 HydrophobicContact CG-CG 3.83Å; W24-W165 AromaticContact NE1-CD1 3.16Å; W24-W165 AromaticContact NE1-CD2 3.68Å; W24-W165 AromaticContact NE1-CE2 3.87Å; W24-W165 AromaticContact NE1-CG 3.26Å; W24-W165 VanDerWaalsContact NE1-CG 3.26Å; W24-W165 AromaticContact NE1-NE1 3.55Å; G161-W165 PolarHBondContact O-N 3.08Å; A162-W165 PolarHBondContact O-N 3.32Å; L163-W165 VanDerWaalsContact C-N 3.32Å; L163-W165 PolarHBondContact O-N 3.44Å; W165-A169 WeakPolarHBondContact O-CB 3.37Å; W165-A169 PolarHBondContact O-N 3.46Å; W165-V187 HydrophobicContact CB-CG1 4.07Å; W165-V187 HydrophobicContact CD2-CG1 3.97Å; W165-V187 HydrophobicContact CD2-CG2 3.86Å; W165-V187 HydrophobicContact CE3-CG1 4.39Å; W165-V187 HydrophobicContact CE3-CG2 4.45Å; W165-V187 HydrophobicContact CG-CG1 3.81Å; W165-V187 HydrophobicContact CG-CG2 4.21Å; W165-V187 HydrophobicContact CH2-CG2 4.43Å; W165-V187 HydrophobicContact CZ2-CG2 3.83Å; W165-Q190 HydrophobicContact CZ3-CG 4.46Å
166M93.6Very high89.4Confident53 Ų5356.2 Ų56.226%0.26129%0.291SS..Hα-helixtrans-67.4-36.7177.6-169.7176.667.500112.2A162 L163 L164 S170 F184 V187 Q188 V191A162-M166 PolarHBondContact O-N 3.11Å; L163-M166 HydrophobicContact CD2-CE 4Å; L163-M166 PolarHBondContact O-N 2.95Å; L164-M166 VanDerWaalsContact C-N 3.35Å; M166-S170 VanDerWaalsContact O-CB 3.27Å; M166-S170 WeakPolarHBondContact O-CB 3.38Å; M166-S170 PolarHBondContact O-N 2.74Å; M166-S170 PolarHBondContact O-OG 3.43Å; M166-F184 HydrophobicContact CG-CE2 3.98Å; M166-F184 HydrophobicContact CG-CZ 4.33Å; M166-V187 HydrophobicContact CB-CG1 3.87Å; M166-V187 HydrophobicContact CG-CG1 4.46Å; M166-Q188 HydrophobicContact SD-CG 4.16Å; M166-V191 HydrophobicContact CB-CG2 3.86Å; M166-V191 HydrophobicContact CE-CG1 4.44Å; M166-V191 HydrophobicContact CE-CG2 4.48Å; M166-V191 HydrophobicContact CG-CG2 4.41Å; M166-V191 HydrophobicContact SD-CB 4.33Å; M166-V191 HydrophobicContact SD-CG1 4.38Å; M166-V191 HydrophobicContact SD-CG2 3.92Å
167K91.6Very high88.7Confident96 Ų9658.5 Ų58.542%0.41731%0.305SS..Hα-helixtrans-63-52.3175.3-169.2168.8-171.1166.30110.7D39 L163 L164 S170 Q171D39-K167 IonicContact OD2-NZ 3.92Å; D39-K167 PolarHBondContact OD2-NZ 2.96Å; L163-K167 WeakPolarHBondContact O-CB 3.46Å; L163-K167 PolarHBondContact O-N 3.46Å; L164-K167 PolarHBondContact O-N 3.48Å; K167-S170 PolarHBondContact O-N 2.72Å; K167-S170 PolarHBondContact O-OG 2.69Å; K167-Q171 WeakPolarHBondContact O-CG 3.41Å; K167-Q171 PolarHBondContact O-N 3.14Å
168D90.4Very high87.8Confident57 Ų5764.6 Ų64.631%0.30533%0.33SS..Hα-helixtrans-57.1-53.4176-168.692.9000111.3W24 L164 S170 Q171 E172W24-D168 HydrophobicContact CH2-CB 3.45Å; W24-D168 VanDerWaalsContact CH2-CB 3.45Å; W24-D168 WeakPolarHBondContact CH2-OD1 3.34Å; W24-D168 HydrophobicContact CZ2-CB 3.83Å; W24-D168 VanDerWaalsContact CZ2-OD2 3.26Å; W24-D168 WeakPolarHBondContact CZ2-OD2 3.49Å; W24-D168 HydrophobicContact CZ3-CB 4.35Å; L164-D168 WeakPolarHBondContact O-CB 3.44Å; L164-D168 PolarHBondContact O-N 3.5Å; D168-S170 PolarHBondContact O-N 3.43Å; D168-S170 VanDerWaalsContact O-N 3.13Å; D168-Q171 PolarHBondContact O-N 2.73Å; D168-E172 PolarHBondContact O-N 3.43Å
169A88.6Confident87.1Confident20 Ų2070.5 Ų70.517%0.16536%0.355CS..Hα-helixtrans-67.9-11.7178.500000115W165 F184 V187W165-A169 WeakPolarHBondContact O-CB 3.37Å; W165-A169 PolarHBondContact O-N 3.46Å; A169-F184 HydrophobicContact CB-CD2 4.21Å; A169-V187 HydrophobicContact CB-CG2 4.41Å
170S87.7Confident86.2Confident59 Ų5971.6 Ų71.641%0.41336%0.362SS..Hα-helixtrans-90.1-21.2171.272.40000113.2M166 K167 D168M166-S170 VanDerWaalsContact O-CB 3.27Å; M166-S170 WeakPolarHBondContact O-CB 3.38Å; M166-S170 PolarHBondContact O-N 2.74Å; M166-S170 PolarHBondContact O-OG 3.43Å; K167-S170 PolarHBondContact O-N 2.72Å; K167-S170 PolarHBondContact O-OG 2.69Å; D168-S170 PolarHBondContact O-N 3.43Å; D168-S170 VanDerWaalsContact O-N 3.13Å
171Q85.8Confident85.8Confident154 Ų15474.1 Ų74.172%0.7238%0.375SS*.Hα-helixtrans-83.2-29.1178-71.4176.6-19.500111.9K167 D168 L173K167-Q171 WeakPolarHBondContact O-CG 3.41Å; K167-Q171 PolarHBondContact O-N 3.14Å; D168-Q171 PolarHBondContact O-N 2.73Å; Q171-L173 VanDerWaalsContact C-N 3.34Å
172E77.8Confident85.2Confident148 Ų14876.7 Ų76.769%0.69239%0.387SS*.SBendtrans-88.58.3174.6-58.3-168.2152.200114D168 D174 Q180D168-E172 PolarHBondContact O-N 3.43Å; E172-D174 PolarHBondContact O-N 2.75Å; E172-Q180 PolarHBondContact O-OE1 2.95Å
173L80.2Confident84.7Confident47 Ų4783.5 Ų83.525%0.24642%0.416CS..  trans-88.9107.7-166.9-173.861.2000113.7Q171 Q180 M181 F184Q171-L173 VanDerWaalsContact C-N 3.34Å; L173-Q180 HydrophobicContact CD1-CB 3.89Å; L173-M181 HydrophobicContact CD1-CG 4.32Å; L173-M181 HydrophobicContact CD1-SD 3.93Å; L173-M181 HydrophobicContact CD2-SD 4.01Å; L173-M181 HydrophobicContact CG-SD 4.26Å; L173-F184 HydrophobicContact CD1-CB 4.16Å; L173-F184 HydrophobicContact CD2-CB 4.35Å; L173-F184 HydrophobicContact CD2-CD1 3.85Å; L173-F184 HydrophobicContact CD2-CD2 4.29Å; L173-F184 HydrophobicContact CD2-CE1 4.18Å; L173-F184 HydrophobicContact CD2-CG 3.9Å
174D78.1Confident84.4Confident60 Ų6083.4 Ų83.432%0.32141%0.414SS..  trans-85118160.9167.129.3000110.4E172 D176 T177E172-D174 PolarHBondContact O-N 2.75Å; D174-D176 VanDerWaalsContact C-N 3.31Å; D174-D176 PolarHBondContact O-N 2.71Å; D174-D176 PolarHBondContact OD1-N 2.88Å; D174-T177 PolarHBondContact O-N 2.94Å; D174-T177 WeakPolarHBondContact OD2-CB 3.27Å; D174-T177 PolarHBondContact OD2-N 3Å; D174-T177 VanDerWaalsContact OD2-N 3.09Å; D174-T177 PolarHBondContact OD2-OG1 3.31Å
175P75.4Confident84.2Confident90 Ų9086.5 Ų86.558%0.58442%0.423SS*.SBendtrans-61.7-32.4177.7-23.635000114.6
176D76.5Confident83.9Confident153 Ų15391.1 Ų91.182%0.81844%0.443SS*.SBendtrans-77.6-26-175.2-69.5-25.4000111.5D174 F178D174-D176 VanDerWaalsContact C-N 3.31Å; D174-D176 PolarHBondContact O-N 2.71Å; D174-D176 PolarHBondContact OD1-N 2.88Å; D176-F178 PolarHBondContact O-N 3.03Å
177T82.8Confident83.9Confident55 Ų5588.8 Ų88.834%0.33743%0.432SS..  trans-7888.8172-63.90000111.5D174 K179 Q180 M181D174-T177 PolarHBondContact O-N 2.94Å; D174-T177 WeakPolarHBondContact OD2-CB 3.27Å; D174-T177 PolarHBondContact OD2-N 3Å; D174-T177 VanDerWaalsContact OD2-N 3.09Å; D174-T177 PolarHBondContact OD2-OG1 3.31Å; T177-K179 HydrophobicContact CG2-CB 4.25Å; T177-K179 PolarHBondContact O-N 3.19Å; T177-Q180 HydrophobicContact CG2-CB 4.3Å; T177-Q180 HydrophobicContact CG2-CG 3.72Å; T177-Q180 WeakPolarHBondContact O-CB 3.33Å; T177-Q180 PolarHBondContact O-N 2.96Å; T177-M181 PolarHBondContact O-N 3.08Å
178F77.4Confident83.9Confident149 Ų14988 Ų8865%0.65443%0.43SS*.Hα-helixtrans-44.2-36.9175.1-176.1-92.5000114.6D176 Q180 M181 E182D176-F178 PolarHBondContact O-N 3.03Å; F178-Q180 VanDerWaalsContact C-N 3.3Å; F178-Q180 PolarHBondContact O-N 3.5Å; F178-M181 PolarHBondContact O-N 3.41Å; F178-E182 WeakPolarHBondContact O-CB 3.4Å; F178-E182 PolarHBondContact O-N 2.83Å
179K79.3Confident84.1Confident171 Ų17188.9 Ų88.974%0.74343%0.434SS*.Hα-helixtrans-66.7-25.1178-69.5-178.7-178.6173.50113.9T177 K183T177-K179 HydrophobicContact CG2-CB 4.25Å; T177-K179 PolarHBondContact O-N 3.19Å; K179-K183 WeakPolarHBondContact O-CG 3.45Å
180Q79.7Confident84.3Confident58 Ų5889 Ų8927%0.27143%0.432SS..Hα-helixtrans-81.9-44.6173.9-66.3-178.914.500110.7E172 L173 T177 F178 E182 K183 F184E172-Q180 PolarHBondContact O-OE1 2.95Å; L173-Q180 HydrophobicContact CD1-CB 3.89Å; T177-Q180 HydrophobicContact CG2-CB 4.3Å; T177-Q180 HydrophobicContact CG2-CG 3.72Å; T177-Q180 WeakPolarHBondContact O-CB 3.33Å; T177-Q180 PolarHBondContact O-N 2.96Å; F178-Q180 VanDerWaalsContact C-N 3.3Å; F178-Q180 PolarHBondContact O-N 3.5Å; Q180-E182 PolarHBondContact O-N 3.35Å; Q180-K183 CarbonylContact O-C 3.54Å; Q180-K183 WeakPolarHBondContact O-CA 3.31Å; Q180-K183 WeakPolarHBondContact O-CB 3.42Å; Q180-K183 PolarHBondContact O-N 3.43Å; Q180-F184 PolarHBondContact O-N 2.73Å
181M85.3Confident84.7Confident76 Ų7686.9 Ų86.937%0.37442%0.416SS..Hα-helixtrans-54.9-37.9172.9-71.5-70.4-95.900112.5L173 T177 F178 F184 R185L173-M181 HydrophobicContact CD1-CG 4.32Å; L173-M181 HydrophobicContact CD1-SD 3.93Å; L173-M181 HydrophobicContact CD2-SD 4.01Å; L173-M181 HydrophobicContact CG-SD 4.26Å; T177-M181 PolarHBondContact O-N 3.08Å; F178-M181 PolarHBondContact O-N 3.41Å; M181-F184 PolarHBondContact O-N 3.43Å; M181-R185 PolarHBondContact O-N 2.86Å
182E83.9Confident85.2Confident55 Ų5586.9 Ų86.926%0.25741%0.41SS..Hα-helixtrans-65.4-37.2173.1-176.457-14100113.5F178 Q180 R185 K186F178-E182 WeakPolarHBondContact O-CB 3.4Å; F178-E182 PolarHBondContact O-N 2.83Å; Q180-E182 PolarHBondContact O-N 3.35Å; E182-R185 IonicContact OE1-NH1 2.73Å; E182-R185 IonicContact OE2-CZ 2.73Å; E182-R185 IonicContact OE2-NH1 2.71Å; E182-R185 PolarHBondContact OE2-NH1 3.27Å; E182-R185 IonicContact OE2-NH2 2.75Å; E182-K186 WeakPolarHBondContact O-CG 3.39Å; E182-K186 PolarHBondContact O-N 3.3Å; E182-K186 WeakPolarHBondContact OE1-CE 3.41Å; E182-K186 IonicContact OE1-NZ 3.59Å; E182-K186 PolarHBondContact OE1-NZ 3.41Å
183K82.8Confident86.1Confident147 Ų14784.6 Ų84.664%0.63940%0.402SS*.Hα-helixtrans-67.8-46.4172.2-68.2174.5-176.3179.50110.6K179 Q180 R185 K186 V187K179-K183 WeakPolarHBondContact O-CG 3.45Å; Q180-K183 CarbonylContact O-C 3.54Å; Q180-K183 WeakPolarHBondContact O-CA 3.31Å; Q180-K183 WeakPolarHBondContact O-CB 3.42Å; Q180-K183 PolarHBondContact O-N 3.43Å; K183-R185 VanDerWaalsContact C-N 3.34Å; K183-R185 PolarHBondContact O-N 2.97Å; K183-K186 WeakPolarHBondContact O-CB 3.44Å; K183-K186 PolarHBondContact O-N 2.93Å; K183-V187 PolarHBondContact O-N 3.43Å
184F88.1Confident86.8Confident33 Ų3382.7 Ų82.715%0.14539%0.393CS..Hα-helixtrans-59.6-43.9-178.2-173.1-113.7000111.6M166 A169 L173 Q180 M181 K186 V187 Q188M166-F184 HydrophobicContact CG-CE2 3.98Å; M166-F184 HydrophobicContact CG-CZ 4.33Å; A169-F184 HydrophobicContact CB-CD2 4.21Å; L173-F184 HydrophobicContact CD1-CB 4.16Å; L173-F184 HydrophobicContact CD2-CB 4.35Å; L173-F184 HydrophobicContact CD2-CD1 3.85Å; L173-F184 HydrophobicContact CD2-CD2 4.29Å; L173-F184 HydrophobicContact CD2-CE1 4.18Å; L173-F184 HydrophobicContact CD2-CG 3.9Å; Q180-F184 PolarHBondContact O-N 2.73Å; M181-F184 PolarHBondContact O-N 3.43Å; F184-K186 VanDerWaalsContact C-N 3.27Å; F184-K186 PolarHBondContact O-N 3.5Å; F184-V187 PolarHBondContact O-N 3.48Å; F184-V187 VanDerWaalsContact O-N 3.08Å; F184-Q188 HydrophobicContact CD1-CG 4.23Å; F184-Q188 HydrophobicContact CE1-CG 3.96Å; F184-Q188 VanDerWaalsContact CE1-NE2 3.27Å; F184-Q188 HydrophobicContact CZ-CG 4.15Å; F184-Q188 WeakPolarHBondContact O-CG 3.3Å; F184-Q188 PolarHBondContact O-N 3.42Å
185R89.7Confident87.7Confident109 Ų10983.4 Ų83.441%0.41139%0.393SS..Hα-helixtrans-59.7-34.8174.8-155.7-172.1-50.5109.75.1112.9M181 E182 K183 N189M181-R185 PolarHBondContact O-N 2.86Å; E182-R185 IonicContact OE1-NH1 2.73Å; E182-R185 IonicContact OE2-CZ 2.73Å; E182-R185 IonicContact OE2-NH1 2.71Å; E182-R185 PolarHBondContact OE2-NH1 3.27Å; E182-R185 IonicContact OE2-NH2 2.75Å; K183-R185 VanDerWaalsContact C-N 3.34Å; K183-R185 PolarHBondContact O-N 2.97Å; R185-N189 VanDerWaalsContact O-CG 3.31Å; R185-N189 PolarHBondContact O-N 3.27Å
186K88.4Confident88.8Confident124 Ų12483.5 Ų83.554%0.53939%0.389SS..Hα-helixtrans-68.8-38.8174.8-72.6167.1179.9154.40112E182 K183 F184 N189 Q190E182-K186 WeakPolarHBondContact O-CG 3.39Å; E182-K186 PolarHBondContact O-N 3.3Å; E182-K186 WeakPolarHBondContact OE1-CE 3.41Å; E182-K186 IonicContact OE1-NZ 3.59Å; E182-K186 PolarHBondContact OE1-NZ 3.41Å; K183-K186 WeakPolarHBondContact O-CB 3.44Å; K183-K186 PolarHBondContact O-N 2.93Å; F184-K186 VanDerWaalsContact C-N 3.27Å; F184-K186 PolarHBondContact O-N 3.5Å; K186-N189 PolarHBondContact O-N 2.94Å; K186-Q190 PolarHBondContact O-N 3.44Å
187V91.9Very high89.8Confident4 Ų479 Ų792%0.02437%0.369CS..Hα-helixtrans-67-43.4173.6-175.70000111.1W165 M166 A169 K183 F184 N189 Q190 V191W165-V187 HydrophobicContact CB-CG1 4.07Å; W165-V187 HydrophobicContact CD2-CG1 3.97Å; W165-V187 HydrophobicContact CD2-CG2 3.86Å; W165-V187 HydrophobicContact CE3-CG1 4.39Å; W165-V187 HydrophobicContact CE3-CG2 4.45Å; W165-V187 HydrophobicContact CG-CG1 3.81Å; W165-V187 HydrophobicContact CG-CG2 4.21Å; W165-V187 HydrophobicContact CH2-CG2 4.43Å; W165-V187 HydrophobicContact CZ2-CG2 3.83Å; M166-V187 HydrophobicContact CB-CG1 3.87Å; M166-V187 HydrophobicContact CG-CG1 4.46Å; A169-V187 HydrophobicContact CB-CG2 4.41Å; K183-V187 PolarHBondContact O-N 3.43Å; F184-V187 PolarHBondContact O-N 3.48Å; F184-V187 VanDerWaalsContact O-N 3.08Å; V187-N189 VanDerWaalsContact C-N 3.33Å; V187-N189 PolarHBondContact O-N 3.05Å; V187-Q190 PolarHBondContact O-N 3.47Å; V187-Q190 VanDerWaalsContact O-N 3.11Å; V187-V191 WeakPolarHBondContact O-CG2 3.19Å; V187-V191 PolarHBondContact O-N 2.99Å
188Q92.9Very high90.5Very high80 Ų8076.8 Ų76.837%0.37436%0.355SS..Hα-helixtrans-57.7-42.4173.8-71.4-177.8-42.100112.7M166 F184 V191 R192M166-Q188 HydrophobicContact SD-CG 4.16Å; F184-Q188 HydrophobicContact CD1-CG 4.23Å; F184-Q188 HydrophobicContact CE1-CG 3.96Å; F184-Q188 VanDerWaalsContact CE1-NE2 3.27Å; F184-Q188 HydrophobicContact CZ-CG 4.15Å; F184-Q188 WeakPolarHBondContact O-CG 3.3Å; F184-Q188 PolarHBondContact O-N 3.42Å; Q188-V191 PolarHBondContact O-N 2.83Å; Q188-R192 PolarHBondContact O-N 3.19Å
189N93.3Very high91.5Very high74 Ų7472 Ų7240%0.39634%0.336SS..Hα-helixtrans-66.2-38.8174.9-73.4-10.7000111.9R185 K186 V187 R192 N193R185-N189 VanDerWaalsContact O-CG 3.31Å; R185-N189 PolarHBondContact O-N 3.27Å; K186-N189 PolarHBondContact O-N 2.94Å; V187-N189 VanDerWaalsContact C-N 3.33Å; V187-N189 PolarHBondContact O-N 3.05Å; N189-R192 PolarHBondContact O-N 3.07Å; N189-N193 WeakPolarHBondContact O-CB 3.47Å; N189-N193 PolarHBondContact O-N 2.72Å; N189-N193 PolarHBondContact O-OD1 3.17Å
190Q93Very high92.4Very high24 Ų2470.3 Ų70.311%0.11233%0.329CS..Hα-helixtrans-65.2-39.3174.5-177.85583.300112.1W165 K186 V187 S194W165-Q190 HydrophobicContact CZ3-CG 4.46Å; K186-Q190 PolarHBondContact O-N 3.44Å; V187-Q190 PolarHBondContact O-N 3.47Å; V187-Q190 VanDerWaalsContact O-N 3.11Å; Q190-S194 WeakPolarHBondContact O-CB 3.36Å; Q190-S194 PolarHBondContact O-N 3.34Å; Q190-S194 PolarHBondContact O-OG 3.32Å
191V96.3Very high93.3Very high14 Ų1469 Ų699%0.08532%0.323CS..Hα-helixtrans-58.8-54.3172169.60000110.2Y159 A162 L163 M166 V187 Q188 N193 S194 K195Y159-V191 HydrophobicContact CE2-CG1 4.07Å; A162-V191 HydrophobicContact CB-CG2 3.77Å; A162-V191 VanDerWaalsContact O-CG2 3.29Å; A162-V191 WeakPolarHBondContact O-CG2 3.47Å; L163-V191 HydrophobicContact CD2-CG1 3.82Å; M166-V191 HydrophobicContact CB-CG2 3.86Å; M166-V191 HydrophobicContact CE-CG1 4.44Å; M166-V191 HydrophobicContact CE-CG2 4.48Å; M166-V191 HydrophobicContact CG-CG2 4.41Å; M166-V191 HydrophobicContact SD-CB 4.33Å; M166-V191 HydrophobicContact SD-CG1 4.38Å; M166-V191 HydrophobicContact SD-CG2 3.92Å; V187-V191 WeakPolarHBondContact O-CG2 3.19Å; V187-V191 PolarHBondContact O-N 2.99Å; Q188-V191 PolarHBondContact O-N 2.83Å; V191-N193 PolarHBondContact O-N 2.83Å; V191-S194 PolarHBondContact O-N 2.84Å; V191-S194 PolarHBondContact O-OG 3.41Å; V191-K195 WeakPolarHBondContact O-CB 3.47Å; V191-K195 PolarHBondContact O-N 3.33Å
192R97.1Very high93.9Very high153 Ų15367.1 Ų67.158%0.57731%0.313SS*.Hα-helixtrans-52.4-56.4179.6-169-169.9-55.9-106-0.2111.5Q188 N189 S194 K195 D196Q188-R192 PolarHBondContact O-N 3.19Å; N189-R192 PolarHBondContact O-N 3.07Å; R192-S194 VanDerWaalsContact C-N 3.28Å; R192-S194 PolarHBondContact O-N 3.36Å; R192-K195 WeakPolarHBondContact O-CB 3.2Å; R192-K195 PolarHBondContact O-N 3.02Å; R192-D196 VanDerWaalsContact O-CG 3.26Å; R192-D196 PolarHBondContact O-N 3.23Å
193N95.5Very high94.5Very high100 Ų10071 Ų7154%0.53533%0.329SS..Hα-helixtrans-60.7-36.3-178.4-63.46.3000112.6N189 V191 S197N189-N193 WeakPolarHBondContact O-CB 3.47Å; N189-N193 PolarHBondContact O-N 2.72Å; N189-N193 PolarHBondContact O-OD1 3.17Å; V191-N193 PolarHBondContact O-N 2.83Å; N193-S197 WeakPolarHBondContact O-CB 3.43Å; N193-S197 PolarHBondContact O-N 2.88Å
194S96.4Very high95.3Very high8 Ų866.7 Ų66.76%0.05631%0.313CS..Hα-helixtrans-71.6-35.5175.364.90000112.8Q190 V191 R192 F198Q190-S194 WeakPolarHBondContact O-CB 3.36Å; Q190-S194 PolarHBondContact O-N 3.34Å; Q190-S194 PolarHBondContact O-OG 3.32Å; V191-S194 PolarHBondContact O-N 2.84Å; V191-S194 PolarHBondContact O-OG 3.41Å; R192-S194 VanDerWaalsContact C-N 3.28Å; R192-S194 PolarHBondContact O-N 3.36Å; S194-F198 WeakPolarHBondContact O-CB 3.34Å; S194-F198 PolarHBondContact O-N 3.2Å
195K96.8Very high95.8Very high75 Ų7565.1 Ų65.133%0.32631%0.306SS..Hα-helixtrans-65.7-48.2175-167.7-177.3-177.2-62.30111.1Y159 V191 R192 S197 F198 D199Y159-K195 HydrophobicContact CD2-CB 3.73Å; Y159-K195 HydrophobicContact CD2-CG 4.22Å; Y159-K195 HydrophobicContact CE1-CG 4.35Å; Y159-K195 HydrophobicContact CE2-CB 3.51Å; Y159-K195 HydrophobicContact CE2-CD 4.03Å; Y159-K195 HydrophobicContact CE2-CG 3.68Å; V191-K195 WeakPolarHBondContact O-CB 3.47Å; V191-K195 PolarHBondContact O-N 3.33Å; R192-K195 WeakPolarHBondContact O-CB 3.2Å; R192-K195 PolarHBondContact O-N 3.02Å; K195-S197 VanDerWaalsContact C-N 3.26Å; K195-S197 PolarHBondContact O-N 3.45Å; K195-F198 CarbonylContact O-C 3.6Å; K195-F198 PolarHBondContact O-N 2.82Å; K195-F198 VanDerWaalsContact O-N 3.09Å; K195-D199 IonicContact NZ-OD1 3.6Å; K195-D199 PolarHBondContact NZ-OD1 3.12Å; K195-D199 IonicContact NZ-OD2 3.19Å; K195-D199 PolarHBondContact NZ-OD2 3.04Å; K195-D199 WeakPolarHBondContact O-CB 3.17Å; K195-D199 PolarHBondContact O-N 3.11Å
196D97.7Very high96.1Very high91 Ų9161.1 Ų61.149%0.48730%0.295SS..Hα-helixtrans-61.7-37.5-179.1-59.3-29.7000111.2R192 K200R192-D196 VanDerWaalsContact O-CG 3.26Å; R192-D196 PolarHBondContact O-N 3.23Å; D196-K200 PolarHBondContact O-N 3.33Å
197S97.1Very high96.6Very high58 Ų5861.7 Ų61.741%0.40630%0.299SS..Hα-helixtrans-68.8-38.9173.6-174.50000113.1N193 K195 L201N193-S197 WeakPolarHBondContact O-CB 3.43Å; N193-S197 PolarHBondContact O-N 2.88Å; K195-S197 VanDerWaalsContact C-N 3.26Å; K195-S197 PolarHBondContact O-N 3.45Å; S197-L201 PolarHBondContact O-N 2.84Å
198F98.1Very high96.9Very high9 Ų964.4 Ų64.44%0.03931%0.311CS..Hα-helixtrans-70-46.6176.3169.6-119.1000112.1D46 L49 M152 A155 R156 Y159 S194 K195 K200 L201 K202D46-F198 WeakPolarHBondContact OD1-CZ 3.44Å; L49-F198 HydrophobicContact CD2-CE2 3.8Å; L49-F198 HydrophobicContact CD2-CZ 3.85Å; M152-F198 HydrophobicContact CG-CE2 4.3Å; M152-F198 HydrophobicContact SD-CD2 4.43Å; M152-F198 HydrophobicContact SD-CE2 3.82Å; A155-F198 HydrophobicContact CB-CB 4.18Å; R156-F198 HydrophobicContact CB-CD2 3.75Å; R156-F198 HydrophobicContact CB-CE2 3.53Å; R156-F198 HydrophobicContact CB-CZ 4.27Å; R156-F198 HydrophobicContact CG-CD2 4.43Å; R156-F198 HydrophobicContact CG-CE2 3.81Å; R156-F198 HydrophobicContact CG-CZ 4.07Å; Y159-F198 AromaticContact CD1-CD1 3.72Å; Y159-F198 HydrophobicContact CD1-CD1 3.72Å; Y159-F198 HydrophobicContact CD1-CE1 4.2Å; Y159-F198 HydrophobicContact CD1-CG 4.46Å; Y159-F198 HydrophobicContact CE1-CD1 4.27Å; Y159-F198 HydrophobicContact CG-CD1 4.41Å; S194-F198 WeakPolarHBondContact O-CB 3.34Å; S194-F198 PolarHBondContact O-N 3.2Å; K195-F198 CarbonylContact O-C 3.6Å; K195-F198 PolarHBondContact O-N 2.82Å; K195-F198 VanDerWaalsContact O-N 3.09Å; F198-K200 VanDerWaalsContact C-N 3.26Å; F198-K200 PolarHBondContact O-N 3.19Å; F198-L201 CarbonylContact O-C 3.58Å; F198-L201 PolarHBondContact O-N 2.78Å; F198-L201 VanDerWaalsContact O-N 3.1Å; F198-K202 WeakPolarHBondContact O-CB 3.49Å; F198-K202 PolarHBondContact O-N 3.32Å
199D97.9Very high97.2Very high48 Ų4860.6 Ų60.626%0.25729%0.293SS..Hα-helixtrans-60.2-34.7178.6-75.4-10.8000112K195 K203K195-D199 IonicContact NZ-OD1 3.6Å; K195-D199 PolarHBondContact NZ-OD1 3.12Å; K195-D199 IonicContact NZ-OD2 3.19Å; K195-D199 PolarHBondContact NZ-OD2 3.04Å; K195-D199 WeakPolarHBondContact O-CB 3.17Å; K195-D199 PolarHBondContact O-N 3.11Å; D199-K203 WeakPolarHBondContact O-CG 3.5Å; D199-K203 PolarHBondContact O-N 3.3Å
200K97.8Very high97.4Very high137 Ų13761.6 Ų61.660%0.59630%0.298SS*.Hα-helixtrans-65-54170.9-176.9176178177.90110.9D196 F198 K202 K203 D204D196-K200 PolarHBondContact O-N 3.33Å; F198-K200 VanDerWaalsContact C-N 3.26Å; F198-K200 PolarHBondContact O-N 3.19Å; K200-K202 VanDerWaalsContact C-N 3.29Å; K200-K202 PolarHBondContact O-N 2.68Å; K200-K203 WeakPolarHBondContact O-CB 3.47Å; K200-K203 PolarHBondContact O-N 3.01Å; K200-D204 VanDerWaalsContact O-CG 3.3Å; K200-D204 PolarHBondContact O-N 3.04Å
201L98.4Very high97.6Very high30 Ų3066.4 Ų66.416%0.15732%0.324CS..Hα-helixtrans-65-28.4-178.6-76.4165.8000113.6R151 M152 A155 S197 F198 V205R151-L201 HydrophobicContact CB-CD1 4.39Å; R151-L201 HydrophobicContact CB-CD2 4.1Å; M152-L201 HydrophobicContact CB-CB 3.99Å; M152-L201 HydrophobicContact CG-CB 4.22Å; A155-L201 HydrophobicContact CB-CD1 3.62Å; S197-L201 PolarHBondContact O-N 2.84Å; F198-L201 CarbonylContact O-C 3.58Å; F198-L201 PolarHBondContact O-N 2.78Å; F198-L201 VanDerWaalsContact O-N 3.1Å; L201-V205 WeakPolarHBondContact O-CB 3.33Å; L201-V205 WeakPolarHBondContact O-CG2 3.3Å; L201-V205 PolarHBondContact O-N 2.86Å
202K97.9Very high97.7Very high36 Ų3666 Ų6616%0.15732%0.322CS..Hα-helixtrans-59.8-47.9169171.7168.3-179.9175.40110.8E48 L49 F198 K200 V205 C206E48-K202 WeakPolarHBondContact OE2-CE 3.3Å; E48-K202 IonicContact OE2-NZ 3.74Å; E48-K202 PolarHBondContact OE2-NZ 3.47Å; L49-K202 HydrophobicContact CB-CD 4.36Å; L49-K202 HydrophobicContact CD1-CG 4.23Å; L49-K202 HydrophobicContact CD2-CB 4.05Å; L49-K202 HydrophobicContact CD2-CD 4.04Å; L49-K202 HydrophobicContact CD2-CG 3.88Å; L49-K202 HydrophobicContact CG-CG 4.47Å; F198-K202 WeakPolarHBondContact O-CB 3.49Å; F198-K202 PolarHBondContact O-N 3.32Å; K200-K202 VanDerWaalsContact C-N 3.29Å; K200-K202 PolarHBondContact O-N 2.68Å; K202-V205 PolarHBondContact O-N 3.15Å; K202-C206 PolarHBondContact O-N 2.77Å; K202-C206 PolarHBondContact O-SG 3.44Å
203K97.8Very high97.8Very high138 Ų13859.6 Ų59.660%0.630%0.303SS*.Hα-helixtrans-64.6-46.2177.2-67.1168.7-176.2177.20111.5D199 K200 V205 C206 Q207D199-K203 WeakPolarHBondContact O-CG 3.5Å; D199-K203 PolarHBondContact O-N 3.3Å; K200-K203 WeakPolarHBondContact O-CB 3.47Å; K200-K203 PolarHBondContact O-N 3.01Å; K203-V205 VanDerWaalsContact C-N 3.31Å; K203-V205 PolarHBondContact O-N 2.74Å; K203-C206 PolarHBondContact O-N 2.89Å; K203-Q207 WeakPolarHBondContact O-CG 3.45Å; K203-Q207 PolarHBondContact O-N 3.36Å
204D98.1Very high97.9Very high55 Ų5557.3 Ų57.329%0.29430%0.298SS..Hα-helixtrans-57.4-43.7178-60.9-19.3000111.3T148 K200 K208T148-D204 HydrophobicContact CG2-CB 4.35Å; K200-D204 VanDerWaalsContact O-CG 3.3Å; K200-D204 PolarHBondContact O-N 3.04Å; D204-K208 WeakPolarHBondContact O-CB 3.44Å; D204-K208 WeakPolarHBondContact O-CG 3.29Å; D204-K208 PolarHBondContact O-N 3.17Å; D204-K208 VanDerWaalsContact O-N 3.08Å
205V98.6Very high97.9Very high0 Ų059.4 Ų59.40%031%0.313CS..Hα-helixtrans-65.8-49.9175.6165.70000111.6L49 L53 T148 I149 M152 L201 K202 K203 Q207 K208 V209L49-V205 HydrophobicContact CD1-CG1 4.11Å; L53-V205 HydrophobicContact CD2-CG1 4.27Å; T148-V205 HydrophobicContact CG2-CG2 4.09Å; I149-V205 HydrophobicContact CG1-CG1 3.82Å; I149-V205 HydrophobicContact CG1-CG2 3.94Å; M152-V205 HydrophobicContact CB-CG2 3.62Å; M152-V205 HydrophobicContact CG-CG2 3.97Å; L201-V205 WeakPolarHBondContact O-CB 3.33Å; L201-V205 WeakPolarHBondContact O-CG2 3.3Å; L201-V205 PolarHBondContact O-N 2.86Å; K202-V205 PolarHBondContact O-N 3.15Å; K203-V205 VanDerWaalsContact C-N 3.31Å; K203-V205 PolarHBondContact O-N 2.74Å; V205-Q207 VanDerWaalsContact C-N 3.32Å; V205-Q207 PolarHBondContact O-N 3.37Å; V205-K208 PolarHBondContact O-N 3.29Å; V205-V209 HydrophobicContact CG1-CG2 4.25Å; V205-V209 WeakPolarHBondContact O-CG2 3.33Å; V205-V209 PolarHBondContact O-N 2.99Å
206C97.9Very high98Very high25 Ų2558.7 Ų58.717%0.16931%0.308CS..Hα-helixtrans-56-47.7-179.6-72.40000111.8K52 K202 K203 V209 D210K52-C206 VanDerWaalsContact CE-O 3.28Å; K52-C206 WeakPolarHBondContact CE-O 3.36Å; K52-C206 HydrophobicContact CG-CB 4.49Å; K202-C206 PolarHBondContact O-N 2.77Å; K202-C206 PolarHBondContact O-SG 3.44Å; K203-C206 PolarHBondContact O-N 2.89Å; C206-V209 PolarHBondContact O-N 2.63Å; C206-D210 PolarHBondContact O-N 3.41Å
207Q98.1Very high98Very high136 Ų13657.7 Ų57.764%0.63631%0.307SS*.Hα-helixtrans-63.7-41.9178.7-70.6178.8-1300112.7K203 V205 D210 L211K203-Q207 WeakPolarHBondContact O-CG 3.45Å; K203-Q207 PolarHBondContact O-N 3.36Å; V205-Q207 VanDerWaalsContact C-N 3.32Å; V205-Q207 PolarHBondContact O-N 3.37Å; Q207-D210 PolarHBondContact O-N 2.98Å; Q207-L211 WeakPolarHBondContact O-CB 3.43Å; Q207-L211 PolarHBondContact O-N 3.3Å
208K98.3Very high97.9Very high61 Ų6159.8 Ų59.827%0.26531%0.314SS..Hα-helixtrans-64.8-39.1175.5-79.1-162.2179.1-1710112.6D144 T145 T148 D204 V205 L211 L212D144-K208 VanDerWaalsContact CG-NZ 3.27Å; D144-K208 IonicContact OD1-NZ 2.59Å; D144-K208 PolarHBondContact OD1-NZ 3.39Å; D144-K208 VanDerWaalsContact OD1-NZ 3.15Å; D144-K208 WeakPolarHBondContact OD2-CE 3.36Å; D144-K208 IonicContact OD2-NZ 3.35Å; D144-K208 PolarHBondContact OD2-NZ 3.24Å; T145-K208 HydrophobicContact CG2-CB 4.13Å; T148-K208 HydrophobicContact CG2-CD 4.1Å; T148-K208 WeakPolarHBondContact OG1-CD 3.49Å; T148-K208 PolarHBondContact OG1-NZ 2.71Å; D204-K208 WeakPolarHBondContact O-CB 3.44Å; D204-K208 WeakPolarHBondContact O-CG 3.29Å; D204-K208 PolarHBondContact O-N 3.17Å; D204-K208 VanDerWaalsContact O-N 3.08Å; V205-K208 PolarHBondContact O-N 3.29Å; K208-L211 PolarHBondContact O-N 2.81Å; K208-L212 WeakPolarHBondContact O-CB 3.39Å; K208-L212 PolarHBondContact O-N 3.31Å
209V98.6Very high97.8Very high1 Ų160.6 Ų60.61%0.00632%0.318CS..Hα-helixtrans-67.5-38.4178.4174.80000111.6K52 V55 F56 T145 V205 C206 L212 G213K52-V209 HydrophobicContact CD-CB 4.45Å; K52-V209 HydrophobicContact CD-CG1 4.17Å; K52-V209 HydrophobicContact CG-CB 4.2Å; K52-V209 HydrophobicContact CG-CG1 4.18Å; V55-V209 HydrophobicContact CB-CG1 4.37Å; V55-V209 HydrophobicContact CG1-CG1 4Å; F56-V209 HydrophobicContact CB-CG1 4.28Å; F56-V209 HydrophobicContact CB-CG2 3.91Å; F56-V209 HydrophobicContact CD2-CG2 4.43Å; T145-V209 HydrophobicContact CG2-CG2 4.01Å; V205-V209 HydrophobicContact CG1-CG2 4.25Å; V205-V209 WeakPolarHBondContact O-CG2 3.33Å; V205-V209 PolarHBondContact O-N 2.99Å; C206-V209 PolarHBondContact O-N 2.63Å; V209-L212 PolarHBondContact O-N 3.06Å; V209-G213 PolarHBondContact O-N 3.31Å
210D98Very high97.8Very high94 Ų9459.8 Ų59.850%0.50331%0.313SS..Hα-helixtrans-64.7-45.4173.5-72.4-42.5000112.1K52 C206 Q207 L212 G213 A214K52-D210 WeakPolarHBondContact CE-OD2 3.45Å; K52-D210 IonicContact NZ-OD1 3.75Å; K52-D210 PolarHBondContact NZ-OD1 3.48Å; K52-D210 IonicContact NZ-OD2 3.62Å; K52-D210 PolarHBondContact NZ-OD2 3.14Å; C206-D210 PolarHBondContact O-N 3.41Å; Q207-D210 PolarHBondContact O-N 2.98Å; D210-L212 VanDerWaalsContact C-N 3.32Å; D210-L212 PolarHBondContact O-N 2.86Å; D210-G213 PolarHBondContact O-N 3.4Å; D210-A214 PolarHBondContact O-N 3.44Å
211L97.8Very high97.6Very high125 Ų12556.4 Ų56.465%0.65431%0.307SS*.Hα-helixtrans-63.7-37.2176.2-17761.1000112.1Q207 K208 S215Q207-L211 WeakPolarHBondContact O-CB 3.43Å; Q207-L211 PolarHBondContact O-N 3.3Å; K208-L211 PolarHBondContact O-N 2.81Å; L211-S215 WeakPolarHBondContact O-CB 3.44Å; L211-S215 PolarHBondContact O-N 2.95Å
212L98.3Very high97.3Very high7 Ų761.6 Ų61.64%0.03733%0.331CS..Hα-helixtrans-64.3-43.3175-172.371.4000111.2F56 I59 F137 A141 I142 T145 K208 V209 D210 S215 R216F56-L212 HydrophobicContact CD2-CD2 3.75Å; F56-L212 HydrophobicContact CE2-CD2 3.96Å; I59-L212 HydrophobicContact CG2-CD2 3.89Å; I59-L212 HydrophobicContact CG2-CG 4.16Å; F137-L212 HydrophobicContact CE1-CD1 4.16Å; F137-L212 HydrophobicContact CE2-CD1 3.79Å; F137-L212 HydrophobicContact CZ-CD1 3.4Å; F137-L212 HydrophobicContact CZ-CG 3.86Å; A141-L212 HydrophobicContact CB-CD1 3.54Å; I142-L212 HydrophobicContact CG1-CD1 4.12Å; I142-L212 HydrophobicContact CG1-CD2 4.35Å; T145-L212 HydrophobicContact CG2-CD2 4.16Å; K208-L212 WeakPolarHBondContact O-CB 3.39Å; K208-L212 PolarHBondContact O-N 3.31Å; V209-L212 PolarHBondContact O-N 3.06Å; D210-L212 VanDerWaalsContact C-N 3.32Å; D210-L212 PolarHBondContact O-N 2.86Å; L212-S215 PolarHBondContact O-N 3.27Å; L212-R216 WeakPolarHBondContact O-CB 3.28Å; L212-R216 PolarHBondContact O-N 2.89Å
213G98.1Very high97.1Very high18 Ų1860.2 Ų60.219%0.18633%0.325CS..Hα-helixtrans-60.5-50.2174.300000112.4V209 D210 S215 R216 C217V209-G213 PolarHBondContact O-N 3.31Å; D210-G213 PolarHBondContact O-N 3.4Å; G213-S215 PolarHBondContact O-N 2.9Å; G213-R216 WeakPolarHBondContact O-CB 3.44Å; G213-R216 PolarHBondContact O-N 3.36Å; G213-C217 PolarHBondContact O-N 3.33Å; G213-C217 PolarHBondContact O-SG 3.47Å; G213-C217 VanDerWaalsContact O-SG 3.37Å
214A97.9Very high97Very high51 Ų5157 Ų5742%0.42131%0.314SS..Hα-helixtrans-61.3-44.6176.800000112.3D210 R216 C217 N218D210-A214 PolarHBondContact O-N 3.44Å; A214-R216 VanDerWaalsContact C-N 3.33Å; A214-R216 PolarHBondContact O-N 2.96Å; A214-C217 PolarHBondContact O-N 3.48Å; A214-N218 PolarHBondContact O-N 2.96Å; A214-N218 PolarHBondContact O-OD1 3.26Å
215S97.7Very high96.9Very high53 Ų5357.5 Ų57.537%0.37132%0.319SS..Hα-helixtrans-61-40.3176.8178.60000112.1L211 L212 G213 N218 M219L211-S215 WeakPolarHBondContact O-CB 3.44Å; L211-S215 PolarHBondContact O-N 2.95Å; L212-S215 PolarHBondContact O-N 3.27Å; G213-S215 PolarHBondContact O-N 2.9Å; S215-N218 PolarHBondContact O-N 3.35Å; S215-M219 WeakPolarHBondContact O-CB 3.37Å; S215-M219 PolarHBondContact O-N 2.93Å
216R97.9Very high96.6Very high59 Ų5960.8 Ų60.822%0.22334%0.339CS..Hα-helixtrans-61.4-47.4174.6-167.7-179.683.8155.53.6111.9T62 C63 F137 L212 G213 A214 M219 L220T62-R216 PolarHBondContact OG1-NH1 3.13Å; C63-R216 VanDerWaalsContact SG-CD 3.57Å; F137-R216 HydrophobicContact CE1-CB 4.09Å; F137-R216 HydrophobicContact CE1-CG 4.08Å; F137-R216 HydrophobicContact CE2-CB 4.29Å; F137-R216 HydrophobicContact CZ-CB 3.65Å; F137-R216 HydrophobicContact CZ-CG 4.17Å; L212-R216 WeakPolarHBondContact O-CB 3.28Å; L212-R216 PolarHBondContact O-N 2.89Å; G213-R216 WeakPolarHBondContact O-CB 3.44Å; G213-R216 PolarHBondContact O-N 3.36Å; A214-R216 VanDerWaalsContact C-N 3.33Å; A214-R216 PolarHBondContact O-N 2.96Å; R216-M219 HydrophobicContact CG-CE 4.43Å; R216-M219 PolarHBondContact O-N 3.22Å; R216-L220 HydrophobicContact CG-CD1 3.92Å; R216-L220 HydrophobicContact CG-CG 4.42Å; R216-L220 WeakPolarHBondContact O-CB 3.36Å; R216-L220 WeakPolarHBondContact O-CG 3.36Å; R216-L220 PolarHBondContact O-N 3.07Å
217C97.1Very high96.6Very high70 Ų7061.5 Ų61.547%0.47334%0.339SS..Hα-helixtrans-61.3-46.1179.4-68.50000111.2G213 A214 L220 S221G213-C217 PolarHBondContact O-N 3.33Å; G213-C217 PolarHBondContact O-SG 3.47Å; G213-C217 VanDerWaalsContact O-SG 3.37Å; A214-C217 PolarHBondContact O-N 3.48Å; C217-L220 PolarHBondContact O-N 3.32Å; C217-S221 VanDerWaalsContact O-CB 3.32Å; C217-S221 WeakPolarHBondContact O-CB 3.26Å; C217-S221 PolarHBondContact O-N 2.98Å; C217-S221 PolarHBondContact O-OG 3.37Å
218N96Very high96.5Very high102 Ų10261.4 Ų61.455%0.54534%0.339SS..Hα-helixtrans-61.7-47.9178.6-68.51.1000112.1A214 S215 S221 H222A214-N218 PolarHBondContact O-N 2.96Å; A214-N218 PolarHBondContact O-OD1 3.26Å; S215-N218 PolarHBondContact O-N 3.35Å; N218-S221 PolarHBondContact O-N 3.03Å; N218-H222 PolarHBondContact O-CD2 2.99Å; N218-H222 PolarHBondContact O-N 3.03Å
219M96.1Very high96.4Very high27 Ų2766.2 Ų66.213%0.13336%0.355CS..Hα-helixtrans-54.2-58.2175.5175.5-172.169.900111.3E133 V134 F137 S215 R216 S221 H222 S223E133-M219 HydrophobicContact CB-CG 4.07Å; E133-M219 HydrophobicContact CB-SD 3.96Å; V134-M219 HydrophobicContact CB-CE 4.41Å; V134-M219 HydrophobicContact CG2-CE 3.82Å; F137-M219 HydrophobicContact CB-CE 4.03Å; F137-M219 HydrophobicContact CB-SD 3.54Å; F137-M219 VanDerWaalsContact CB-SD 3.54Å; F137-M219 HydrophobicContact CD1-CE 4.15Å; F137-M219 HydrophobicContact CD2-CE 4.49Å; F137-M219 HydrophobicContact CD2-SD 4.29Å; F137-M219 HydrophobicContact CG-CE 3.98Å; F137-M219 HydrophobicContact CG-SD 3.96Å; S215-M219 WeakPolarHBondContact O-CB 3.37Å; S215-M219 PolarHBondContact O-N 2.93Å; R216-M219 HydrophobicContact CG-CE 4.43Å; R216-M219 PolarHBondContact O-N 3.22Å; M219-S221 VanDerWaalsContact C-N 3.27Å; M219-S221 PolarHBondContact O-N 3.02Å; M219-H222 PolarHBondContact O-N 3.43Å; M219-H222 VanDerWaalsContact O-N 3.13Å; M219-S223 PolarHBondContact O-N 3.39Å; M219-S223 VanDerWaalsContact O-N 3.12Å; M219-S223 PolarHBondContact O-OG 3.46Å; M219-S223 VanDerWaalsContact O-OG 3.04Å
220L96.6Very high96.3Very high30 Ų3068.3 Ų68.316%0.15737%0.368CS..Hα-helixtrans-61.1-36.7-176.4-69175.7000112.1L66 L130 V134 R216 C217 H222 L224L66-L220 HydrophobicContact CD2-CD2 3.69Å; L130-L220 HydrophobicContact CD1-CD2 4Å; V134-L220 HydrophobicContact CG2-CD2 3.97Å; R216-L220 HydrophobicContact CG-CD1 3.92Å; R216-L220 HydrophobicContact CG-CG 4.42Å; R216-L220 WeakPolarHBondContact O-CB 3.36Å; R216-L220 WeakPolarHBondContact O-CG 3.36Å; R216-L220 PolarHBondContact O-N 3.07Å; C217-L220 PolarHBondContact O-N 3.32Å; L220-H222 VanDerWaalsContact C-N 3.29Å; L220-H222 PolarHBondContact O-N 3.08Å; L220-L224 HydrophobicContact CB-CD1 4.1Å; L220-L224 WeakPolarHBondContact O-CB 3.44Å; L220-L224 WeakPolarHBondContact O-CD1 3.34Å; L220-L224 WeakPolarHBondContact O-CG 3.42Å; L220-L224 PolarHBondContact O-N 3.24Å
221S94.9Very high96.3Very high67 Ų6765.7 Ų65.747%0.46935%0.354SS..Hα-helixtrans-60.9-39.2178.5-58.90000111.7C217 N218 M219 T225C217-S221 VanDerWaalsContact O-CB 3.32Å; C217-S221 WeakPolarHBondContact O-CB 3.26Å; C217-S221 PolarHBondContact O-N 2.98Å; C217-S221 PolarHBondContact O-OG 3.37Å; N218-S221 PolarHBondContact O-N 3.03Å; M219-S221 VanDerWaalsContact C-N 3.27Å; M219-S221 PolarHBondContact O-N 3.02Å; S221-T225 WeakPolarHBondContact O-CB 3.45Å; S221-T225 PolarHBondContact O-N 2.89Å; S221-T225 PolarHBondContact O-OG1 2.97Å
222H91.5Very high96.3Very high139 Ų13964.4 Ų64.464%0.64435%0.347SS*.Hα-helixtrans-75.6-51.5178.4-68.2-57.5000112.9N218 M219 L220 T225N218-H222 PolarHBondContact O-CD2 2.99Å; N218-H222 PolarHBondContact O-N 3.03Å; M219-H222 PolarHBondContact O-N 3.43Å; M219-H222 VanDerWaalsContact O-N 3.13Å; L220-H222 VanDerWaalsContact C-N 3.29Å; L220-H222 PolarHBondContact O-N 3.08Å; H222-T225 PolarHBondContact O-N 2.8Å
223S92.9Very high96.2Very high6 Ų665 Ų654%0.04236%0.355CS..Hα-helixtrans-70-34.5-177.422.80000113.6E133 M219 T226 Y227E133-S223 WeakPolarHBondContact OE2-CB 3.47Å; E133-S223 PolarHBondContact OE2-OG 2.84Å; M219-S223 PolarHBondContact O-N 3.39Å; M219-S223 VanDerWaalsContact O-N 3.12Å; M219-S223 PolarHBondContact O-OG 3.46Å; M219-S223 VanDerWaalsContact O-OG 3.04Å; S223-T226 PolarHBondContact O-N 3.08Å; S223-Y227 PolarHBondContact O-N 2.89Å
224L95.6Very high96.1Very high71 Ų7164.5 Ų64.537%0.37235%0.347SS..Hα-helixtrans-69.1-33.7175.2-65.6171.4000112.4L130 L220 T226 Y227 Q228L130-L224 HydrophobicContact CD1-CD2 4.23Å; L130-L224 HydrophobicContact CD1-CG 4.45Å; L130-L224 HydrophobicContact CD2-CD2 3.76Å; L220-L224 HydrophobicContact CB-CD1 4.1Å; L220-L224 WeakPolarHBondContact O-CB 3.44Å; L220-L224 WeakPolarHBondContact O-CD1 3.34Å; L220-L224 WeakPolarHBondContact O-CG 3.42Å; L220-L224 PolarHBondContact O-N 3.24Å; L224-T226 VanDerWaalsContact C-N 3.31Å; L224-T226 PolarHBondContact O-N 2.99Å; L224-Y227 PolarHBondContact O-N 3.37Å; L224-Q228 VanDerWaalsContact O-CB 3.29Å; L224-Q228 WeakPolarHBondContact O-CB 3.37Å; L224-Q228 PolarHBondContact O-N 2.69Å
225T96.4Very high96.1Very high65 Ų6569.2 Ų69.240%0.39935%0.354SS..Hα-helixtrans-59.3-42.3176.3-67.50000111.6S221 H222 R229S221-T225 WeakPolarHBondContact O-CB 3.45Å; S221-T225 PolarHBondContact O-N 2.89Å; S221-T225 PolarHBondContact O-OG1 2.97Å; H222-T225 PolarHBondContact O-N 2.8Å; T225-R229 PolarHBondContact O-N 2.67Å
226T93.3Very high96.1Very high69 Ų6971.2 Ų71.242%0.42336%0.358SS..Hα-helixtrans-67.2-47.7178.1-55.70000111.1P126 S223 L224 Q228 R229 T230P126-T226 HydrophobicContact CB-CG2 4.12Å; S223-T226 PolarHBondContact O-N 3.08Å; L224-T226 VanDerWaalsContact C-N 3.31Å; L224-T226 PolarHBondContact O-N 2.99Å; T226-Q228 PolarHBondContact O-N 2.76Å; T226-R229 PolarHBondContact O-N 2.87Å; T226-T230 PolarHBondContact O-N 2.66Å; T226-T230 VanDerWaalsContact O-N 3.07Å; T226-T230 PolarHBondContact O-OG1 3Å; T226-T230 VanDerWaalsContact O-OG1 3.14Å
227Y96.4Very high95.9Very high41 Ų4173.1 Ų73.116%0.16137%0.368CS..Hα-helixtrans-57.2-46175.3163.9-110.8000112.4Y73 L123 L127 S223 L224 R229 T230 L231Y73-Y227 HydrophobicContact CE1-CE2 4.05Å; Y73-Y227 AromaticContact CE1-CZ 3.94Å; Y73-Y227 VanDerWaalsContact CE1-OH 3.28Å; Y73-Y227 WeakPolarHBondContact CE1-OH 3.44Å; Y73-Y227 PolarHBondContact OH-OH 2.96Å; L123-Y227 HydrophobicContact CD2-CE2 4.42Å; L127-Y227 HydrophobicContact CD1-CD2 4.45Å; L127-Y227 HydrophobicContact CD1-CE2 4.14Å; L127-Y227 HydrophobicContact CD2-CD2 3.65Å; L127-Y227 HydrophobicContact CD2-CE2 3.69Å; L127-Y227 HydrophobicContact CD2-CG 4.16Å; L127-Y227 HydrophobicContact CG-CD2 3.78Å; L127-Y227 HydrophobicContact CG-CE2 3.92Å; S223-Y227 PolarHBondContact O-N 2.89Å; L224-Y227 PolarHBondContact O-N 3.37Å; Y227-R229 VanDerWaalsContact C-N 3.35Å; Y227-R229 PolarHBondContact O-N 3.31Å; Y227-T230 PolarHBondContact O-N 3.25Å; Y227-L231 HydrophobicContact CE1-CD2 4.39Å; Y227-L231 HydrophobicContact CE2-CB 4.5Å; Y227-L231 WeakPolarHBondContact O-CB 3.44Å; Y227-L231 PolarHBondContact O-N 3.08Å
228Q97.3Very high95.8Very high134 Ų13470.4 Ų70.463%0.62635%0.349SS*.Hα-helixtrans-61.3-41.1178.5-177.4-179.1-5.500112L224 T226 L231 L232L224-Q228 VanDerWaalsContact O-CB 3.29Å; L224-Q228 WeakPolarHBondContact O-CB 3.37Å; L224-Q228 PolarHBondContact O-N 2.69Å; T226-Q228 PolarHBondContact O-N 2.76Å; Q228-L231 PolarHBondContact O-N 2.89Å; Q228-L232 WeakPolarHBondContact O-CB 3.47Å; Q228-L232 PolarHBondContact O-N 3.31Å
229R96.6Very high95.8Very high161 Ų16168.1 Ų68.161%0.60834%0.344SS*.Hα-helixtrans-64.7-44177.1-169.8-175.7-62.4112.61.3111.7T225 T226 Y227 L232 G233T225-R229 PolarHBondContact O-N 2.67Å; T226-R229 PolarHBondContact O-N 2.87Å; Y227-R229 VanDerWaalsContact C-N 3.35Å; Y227-R229 PolarHBondContact O-N 3.31Å; R229-L232 PolarHBondContact O-N 3.2Å; R229-G233 PolarHBondContact O-N 2.86Å
230T96Very high95.8Very high45 Ų4572 Ų7228%0.27636%0.362SS..Hα-helixtrans-65-39.7176.3-48.70000111.5A122 L123 P126 T226 Y227 G233 F234A122-T230 HydrophobicContact CB-CG2 4.49Å; L123-T230 HydrophobicContact CD2-CG2 3.75Å; P126-T230 HydrophobicContact CG-CG2 4.45Å; T226-T230 PolarHBondContact O-N 2.66Å; T226-T230 VanDerWaalsContact O-N 3.07Å; T226-T230 PolarHBondContact O-OG1 3Å; T226-T230 VanDerWaalsContact O-OG1 3.14Å; Y227-T230 PolarHBondContact O-N 3.25Å; T230-G233 PolarHBondContact O-N 3.32Å; T230-F234 WeakPolarHBondContact O-CB 3.5Å; T230-F234 PolarHBondContact O-N 3.02Å
231L97.3Very high95.6Very high40 Ų4072.3 Ų72.321%0.20936%0.363CS..Hα-helixtrans-63.5-43.8176.6-174.967.6000112.3L123 Y227 Q228 F234 W235L123-L231 HydrophobicContact CD1-CD1 3.81Å; L123-L231 HydrophobicContact CD2-CB 4Å; L123-L231 HydrophobicContact CD2-CD1 4.15Å; Y227-L231 HydrophobicContact CE1-CD2 4.39Å; Y227-L231 HydrophobicContact CE2-CB 4.5Å; Y227-L231 WeakPolarHBondContact O-CB 3.44Å; Y227-L231 PolarHBondContact O-N 3.08Å; Q228-L231 PolarHBondContact O-N 2.89Å; L231-F234 HydrophobicContact CD1-CD1 4.39Å; L231-F234 PolarHBondContact O-N 3.24Å; L231-W235 PolarHBondContact O-N 2.71Å
232L97.7Very high95.5Very high97 Ų9772.5 Ų72.551%0.50836%0.358SS..Hα-helixtrans-61.8-51.6176179.861.4000111Q228 R229 F234 W235 E236Q228-L232 WeakPolarHBondContact O-CB 3.47Å; Q228-L232 PolarHBondContact O-N 3.31Å; R229-L232 PolarHBondContact O-N 3.2Å; L232-F234 VanDerWaalsContact C-N 3.27Å; L232-F234 PolarHBondContact O-N 2.99Å; L232-W235 PolarHBondContact O-N 3.13Å; L232-E236 HydrophobicContact CD1-CG 4.12Å; L232-E236 HydrophobicContact CG-CG 4.28Å; L232-E236 WeakPolarHBondContact CG-OE1 3.44Å; L232-E236 WeakPolarHBondContact O-CG 3.47Å; L232-E236 PolarHBondContact O-N 3.04Å
233G96.7Very high95.7Very high20 Ų2068.8 Ų68.821%0.20635%0.345CS..Hα-helixtrans-63.2-29.4179.900000114.2R229 T230 K237R229-G233 PolarHBondContact O-N 2.86Å; T230-G233 PolarHBondContact O-N 3.32Å; G233-K237 WeakPolarHBondContact O-CB 3.48Å; G233-K237 VanDerWaalsContact O-CG 3.26Å; G233-K237 WeakPolarHBondContact O-CG 3.41Å; G233-K237 PolarHBondContact O-N 2.92Å
234F96.8Very high95.6Very high7 Ų774.5 Ų74.53%0.03137%0.371CS..Hα-helixtrans-64.4-47.9170.1157-105000111.8S116 Q119 R120 L123 T230 L231 L232 T238S116-F234 WeakPolarHBondContact O-CE2 3.48Å; S116-F234 WeakPolarHBondContact OG-CE2 3.32Å; Q119-F234 HydrophobicContact CB-CD2 3.9Å; R120-F234 HydrophobicContact CB-CD2 4.14Å; R120-F234 HydrophobicContact CB-CE2 3.66Å; R120-F234 HydrophobicContact CB-CZ 3.99Å; R120-F234 HydrophobicContact CG-CE2 4.38Å; R120-F234 HydrophobicContact CG-CZ 4.23Å; L123-F234 HydrophobicContact CD1-CD1 4.46Å; T230-F234 WeakPolarHBondContact O-CB 3.5Å; T230-F234 PolarHBondContact O-N 3.02Å; L231-F234 HydrophobicContact CD1-CD1 4.39Å; L231-F234 PolarHBondContact O-N 3.24Å; L232-F234 VanDerWaalsContact C-N 3.27Å; L232-F234 PolarHBondContact O-N 2.99Å; F234-T238 WeakPolarHBondContact CE2-OG1 3.45Å; F234-T238 VanDerWaalsContact O-CB 3.3Å; F234-T238 WeakPolarHBondContact O-CB 3.5Å; F234-T238 PolarHBondContact O-N 3.35Å; F234-T238 PolarHBondContact O-OG1 2.87Å
235W97.1Very high95.3Very high150 Ų15072.4 Ų72.457%0.56836%0.36SS*.Hα-helixtrans-68.4-41.2179.2-74.4120.5000112.3L231 L232 T238 A239L231-W235 PolarHBondContact O-N 2.71Å; L232-W235 PolarHBondContact O-N 3.13Å; W235-T238 PolarHBondContact O-N 3.22Å; W235-A239 VanDerWaalsContact O-CB 3.26Å; W235-A239 WeakPolarHBondContact O-CB 3.15Å; W235-A239 PolarHBondContact O-N 2.89Å
236E97.1Very high95Very high96 Ų9675.9 Ų75.945%0.44937%0.371SS..Hα-helixtrans-58.5-50.3176.7-72.9171.6162.400111.5L232 A239 Q240L232-E236 HydrophobicContact CD1-CG 4.12Å; L232-E236 HydrophobicContact CG-CG 4.28Å; L232-E236 WeakPolarHBondContact CG-OE1 3.44Å; L232-E236 WeakPolarHBondContact O-CG 3.47Å; L232-E236 PolarHBondContact O-N 3.04Å; E236-A239 PolarHBondContact O-N 3.03Å; E236-Q240 WeakPolarHBondContact O-CB 3.45Å; E236-Q240 WeakPolarHBondContact O-CG 3.47Å; E236-Q240 PolarHBondContact O-N 2.86Å
237K95.1Very high94.8Very high98 Ų9879 Ų7943%0.42638%0.381SS..Hα-helixtrans-65.7-41.5177.8-71.4174.9-179.3-176.90112.5G233 Q240 M241G233-K237 WeakPolarHBondContact O-CB 3.48Å; G233-K237 VanDerWaalsContact O-CG 3.26Å; G233-K237 WeakPolarHBondContact O-CG 3.41Å; G233-K237 PolarHBondContact O-N 2.92Å; K237-Q240 PolarHBondContact O-N 2.77Å; K237-M241 WeakPolarHBondContact O-CG 2.99Å; K237-M241 PolarHBondContact O-N 3.1Å; K237-M241 VanDerWaalsContact O-N 3.07Å
238T95.2Very high94.2Very high14 Ų1480.4 Ų80.49%0.08640%0.402CS..Hα-helixtrans-63.5-44.7177.5-60.10000110.9S116 F234 W235 M241 M242S116-T238 VanDerWaalsContact OG-CG2 3.27Å; S116-T238 WeakPolarHBondContact OG-CG2 3.48Å; S116-T238 PolarHBondContact OG-OG1 3.46Å; S116-T238 VanDerWaalsContact OG-OG1 3.13Å; F234-T238 WeakPolarHBondContact CE2-OG1 3.45Å; F234-T238 VanDerWaalsContact O-CB 3.3Å; F234-T238 WeakPolarHBondContact O-CB 3.5Å; F234-T238 PolarHBondContact O-N 3.35Å; F234-T238 PolarHBondContact O-OG1 2.87Å; W235-T238 PolarHBondContact O-N 3.22Å; T238-M241 PolarHBondContact O-N 3.46Å; T238-M242 VanDerWaalsContact O-CG 3.3Å; T238-M242 WeakPolarHBondContact O-CG 3.45Å; T238-M242 PolarHBondContact O-N 3.39Å; T238-M242 VanDerWaalsContact O-N 3.1Å
239A95.9Very high93.1Very high53 Ų5375.8 Ų75.844%0.43838%0.384SS..Hα-helixtrans-61.2-46.2175.200000111.7W235 E236 M241 M242 T243W235-A239 VanDerWaalsContact O-CB 3.26Å; W235-A239 WeakPolarHBondContact O-CB 3.15Å; W235-A239 PolarHBondContact O-N 2.89Å; E236-A239 PolarHBondContact O-N 3.03Å; A239-M241 PolarHBondContact O-N 2.78Å; A239-M242 PolarHBondContact O-N 3.04Å; A239-M242 VanDerWaalsContact O-N 3.17Å; A239-T243 PolarHBondContact O-N 2.97Å; A239-T243 PolarHBondContact O-OG1 3.22Å; A239-T243 VanDerWaalsContact O-OG1 3.09Å
240Q95.5Very high91.9Very high108 Ų10872.1 Ų72.151%0.50539%0.388SS..Hα-helixtrans-57.7-44.7178.1-74.4164.812.500112.8E236 K237 T243 Q244E236-Q240 WeakPolarHBondContact O-CB 3.45Å; E236-Q240 WeakPolarHBondContact O-CG 3.47Å; E236-Q240 PolarHBondContact O-N 2.86Å; K237-Q240 PolarHBondContact O-N 2.77Å; Q240-T243 PolarHBondContact O-N 3.02Å; Q240-Q244 VanDerWaalsContact O-CG 3.27Å; Q240-Q244 WeakPolarHBondContact O-CG 3.27Å; Q240-Q244 PolarHBondContact O-N 3.37Å
241M93.4Very high90.4Very high38 Ų3872.2 Ų72.219%0.18740%0.398CS..Hα-helixtrans-63-43.2175.5-67.1-173.4-53.600112A112 S115 K237 T238 A239 Q244 I245A112-M241 HydrophobicContact CB-CB 4.14Å; A112-M241 HydrophobicContact CB-CE 4.39Å; A112-M241 WeakPolarHBondContact O-CE 3.33Å; S115-M241 PolarHBondContact OG-SD 3.09Å; K237-M241 WeakPolarHBondContact O-CG 2.99Å; K237-M241 PolarHBondContact O-N 3.1Å; K237-M241 VanDerWaalsContact O-N 3.07Å; T238-M241 PolarHBondContact O-N 3.46Å; A239-M241 PolarHBondContact O-N 2.78Å; M241-Q244 PolarHBondContact O-N 3.29Å; M241-I245 WeakPolarHBondContact O-CG1 3.16Å; M241-I245 PolarHBondContact O-N 3.32Å; M241-I245 VanDerWaalsContact O-N 3.09Å
242M92.8Very high88.7Confident71 Ų7174.3 Ų74.335%0.3541%0.405SS..Hα-helixtrans-68.1-36.9179.8-66.4-63.6178.900112.4A112 L113 T238 A239 I245 Q246A112-M242 HydrophobicContact CB-CE 4.23Å; A112-M242 HydrophobicContact CB-SD 4.48Å; L113-M242 HydrophobicContact CD2-CE 3.8Å; L113-M242 HydrophobicContact CG-CE 4.47Å; T238-M242 VanDerWaalsContact O-CG 3.3Å; T238-M242 WeakPolarHBondContact O-CG 3.45Å; T238-M242 PolarHBondContact O-N 3.39Å; T238-M242 VanDerWaalsContact O-N 3.1Å; A239-M242 PolarHBondContact O-N 3.04Å; A239-M242 VanDerWaalsContact O-N 3.17Å; M242-I245 PolarHBondContact O-N 3.31Å; M242-I245 HydrophobicContact SD-CD1 4.27Å; M242-Q246 WeakPolarHBondContact O-CB 3.29Å; M242-Q246 PolarHBondContact O-N 3.22Å
243T94.1Very high86.8Confident60 Ų6077.6 Ų77.637%0.36842%0.418SS..Hα-helixtrans-64.7-43172.9-58.50000111.5A239 Q240 I245 Q246 E247A239-T243 PolarHBondContact O-N 2.97Å; A239-T243 PolarHBondContact O-OG1 3.22Å; A239-T243 VanDerWaalsContact O-OG1 3.09Å; Q240-T243 PolarHBondContact O-N 3.02Å; T243-I245 VanDerWaalsContact C-N 3.29Å; T243-I245 PolarHBondContact O-N 2.98Å; T243-Q246 WeakPolarHBondContact O-CB 3.47Å; T243-Q246 PolarHBondContact O-N 3.32Å; T243-Q246 VanDerWaalsContact O-N 3.11Å; T243-E247 HydrophobicContact CG2-CG 4.31Å; T243-E247 WeakPolarHBondContact O-CB 3.43Å; T243-E247 WeakPolarHBondContact O-CG 3.48Å; T243-E247 PolarHBondContact O-N 3.48Å
244Q90.9Very high84.6Confident126 Ų12682.5 Ų82.559%0.58945%0.446SS*.Hα-helixtrans-60.5-38.9176.1-73166.510.200112.1Q240 M241 A248Q240-Q244 VanDerWaalsContact O-CG 3.27Å; Q240-Q244 WeakPolarHBondContact O-CG 3.27Å; Q240-Q244 PolarHBondContact O-N 3.37Å; M241-Q244 PolarHBondContact O-N 3.29Å; Q244-A248 PolarHBondContact O-N 3.02Å; Q244-A248 VanDerWaalsContact O-N 3.1Å
245I90.5Very high82.4Confident27 Ų2793.2 Ų93.214%0.13849%0.488CS..Hα-helixtrans-64-49.1171.6-66.6160.1000110.2A108 A112 M241 M242 T243 E247 A248 C249A108-I245 HydrophobicContact CB-CG1 4.21Å; A112-I245 HydrophobicContact CB-CD1 3.48Å; A112-I245 VanDerWaalsContact CB-CD1 3.48Å; M241-I245 WeakPolarHBondContact O-CG1 3.16Å; M241-I245 PolarHBondContact O-N 3.32Å; M241-I245 VanDerWaalsContact O-N 3.09Å; M242-I245 PolarHBondContact O-N 3.31Å; M242-I245 HydrophobicContact SD-CD1 4.27Å; T243-I245 VanDerWaalsContact C-N 3.29Å; T243-I245 PolarHBondContact O-N 2.98Å; I245-E247 VanDerWaalsContact C-N 3.29Å; I245-E247 PolarHBondContact O-N 2.87Å; I245-A248 PolarHBondContact O-N 3.09Å; I245-A248 VanDerWaalsContact O-N 3.16Å; I245-C249 PolarHBondContact O-N 3.35Å; I245-C249 PolarHBondContact O-SG 3.46Å
246Q89.5Confident80.1Confident139 Ų13990.2 Ų90.265%0.6548%0.483SS*.Hα-helixtrans-57.6-40179.1-175.1-173.9-8.100112.5M242 T243 C249 A250M242-Q246 WeakPolarHBondContact O-CB 3.29Å; M242-Q246 PolarHBondContact O-N 3.22Å; T243-Q246 WeakPolarHBondContact O-CB 3.47Å; T243-Q246 PolarHBondContact O-N 3.32Å; T243-Q246 VanDerWaalsContact O-N 3.11Å; Q246-C249 CarbonylContact O-C 3.6Å; Q246-C249 WeakPolarHBondContact O-CB 3.37Å; Q246-C249 PolarHBondContact O-N 2.78Å; Q246-A250 PolarHBondContact O-N 2.59Å
247E88.6Confident77.8Confident133 Ų13392.7 Ų92.762%0.62149%0.492SS*.Hα-helixtrans-67.3-41.1177.1-73.3173.7177.300111.6T243 I245 C249 A250T243-E247 HydrophobicContact CG2-CG 4.31Å; T243-E247 WeakPolarHBondContact O-CB 3.43Å; T243-E247 WeakPolarHBondContact O-CG 3.48Å; T243-E247 PolarHBondContact O-N 3.48Å; I245-E247 VanDerWaalsContact C-N 3.29Å; I245-E247 PolarHBondContact O-N 2.87Å; E247-C249 VanDerWaalsContact C-N 3.27Å; E247-C249 PolarHBondContact O-N 3.35Å; E247-A250 WeakPolarHBondContact O-CB 3.43Å; E247-A250 PolarHBondContact O-N 3.37Å; E247-A250 VanDerWaalsContact O-N 3.15Å
248A83.3Confident75.7Confident72 Ų7293 Ų9360%0.59550%0.498SS*.Hα-helixtrans-63.4-33170.300000112.4Q244 I245 A250Q244-A248 PolarHBondContact O-N 3.02Å; Q244-A248 VanDerWaalsContact O-N 3.1Å; I245-A248 PolarHBondContact O-N 3.09Å; I245-A248 VanDerWaalsContact O-N 3.16Å; A248-A250 VanDerWaalsContact C-N 3.3Å; A248-A250 PolarHBondContact O-N 3.01Å
249C75.2Confident73.5Confident37 Ų3794.4 Ų94.425%0.2551%0.511CS..Hα-helixtrans-73.1-17174.9-61.50000113.5M105 I245 Q246 E247 G251 F252M105-C249 PolarHBondContact SD-SG 3.23Å; I245-C249 PolarHBondContact O-N 3.35Å; I245-C249 PolarHBondContact O-SG 3.46Å; Q246-C249 CarbonylContact O-C 3.6Å; Q246-C249 WeakPolarHBondContact O-CB 3.37Å; Q246-C249 PolarHBondContact O-N 2.78Å; E247-C249 VanDerWaalsContact C-N 3.27Å; E247-C249 PolarHBondContact O-N 3.35Å; C249-G251 PolarHBondContact O-N 2.87Å; C249-G251 VanDerWaalsContact O-N 3.15Å; C249-F252 HydrophobicContact CB-CD2 4.42Å; C249-F252 WeakPolarHBondContact O-CB 3.4Å; C249-F252 VanDerWaalsContact O-CD2 3.3Å; C249-F252 WeakPolarHBondContact O-CD2 3.41Å; C249-F252 PolarHBondContact O-N 3.08Å; C249-F252 VanDerWaalsContact O-N 3.12Å
250A70.9Confident71.4Confident84 Ų8496.9 Ų96.969%0.69452%0.517SS*.THydrogen-bonded Turntrans-68-13.3-178.600000113.7Q246 E247 A248 F252Q246-A250 PolarHBondContact O-N 2.59Å; E247-A250 WeakPolarHBondContact O-CB 3.43Å; E247-A250 PolarHBondContact O-N 3.37Å; E247-A250 VanDerWaalsContact O-N 3.15Å; A248-A250 VanDerWaalsContact C-N 3.3Å; A248-A250 PolarHBondContact O-N 3.01Å; A250-F252 VanDerWaalsContact C-N 3.33Å
251G64.9Low69.3Low47 Ų4796.7 Ų96.749%0.48551%0.514SS..THydrogen-bonded Turntrans-74-18.3172.100000114.7C249 H253C249-G251 PolarHBondContact O-N 2.87Å; C249-G251 VanDerWaalsContact O-N 3.15Å; G251-H253 PolarHBondContact O-N 2.98Å; G251-H253 PolarHBondContact O-ND1 3.28Å
252F62.4Low67.1Low84 Ų84103.1 Ų103.137%0.36854%0.536SS..  trans-65.9106.4-177-80.5-109.8000111.1Q101 M105 C249 A250Q101-F252 HydrophobicContact CB-CE1 4.49Å; Q101-F252 HydrophobicContact CB-CZ 4.01Å; Q101-F252 HydrophobicContact CG-CE1 4.44Å; Q101-F252 HydrophobicContact CG-CE2 3.76Å; Q101-F252 HydrophobicContact CG-CZ 3.62Å; M105-F252 HydrophobicContact SD-CE2 4.24Å; M105-F252 HydrophobicContact SD-CZ 4.05Å; C249-F252 HydrophobicContact CB-CD2 4.42Å; C249-F252 WeakPolarHBondContact O-CB 3.4Å; C249-F252 VanDerWaalsContact O-CD2 3.3Å; C249-F252 WeakPolarHBondContact O-CD2 3.41Å; C249-F252 PolarHBondContact O-N 3.08Å; C249-F252 VanDerWaalsContact O-N 3.12Å; A250-F252 VanDerWaalsContact C-N 3.33Å
253H56.3Low65.2Low166 Ų166106.2 Ų106.277%0.76955%0.554SS**  trans-74.2136.4162.5-74.152.3000108.7G251G251-H253 PolarHBondContact O-N 2.98Å; G251-H253 PolarHBondContact O-ND1 3.28Å
254P51.2Low63.3Low122 Ų122110.7 Ų110.779%0.79257%0.57SS**  trans-60.6145.7174.926.1-33.7000110.5
255Y51.4Low61.4Low232 Ų232109.8 Ų109.891%0.9157%0.569SS**SBendtrans-36.7137.3-169.5-146-97.3000114.8F257Y255-F257 VanDerWaalsContact C-N 3.35Å; Y255-F257 PolarHBondContact O-N 3.18Å
256D47.4Very low59.6Low87 Ų87113.8 Ų113.847%0.46560%0.595SS.*  trans-66.777.1-152.6-165.57.7000116.1L258 A259D256-L258 PolarHBondContact O-N 3.41Å; D256-L258 WeakPolarHBondContact OD1-CA 3.35Å; D256-L258 WeakPolarHBondContact OD1-CB 3.5Å; D256-L258 PolarHBondContact OD1-N 3.43Å; D256-A259 HydrophobicContact CB-CB 4.24Å; D256-A259 VanDerWaalsContact O-CB 3.31Å; D256-A259 WeakPolarHBondContact O-CB 3.44Å; D256-A259 PolarHBondContact O-N 2.76Å; D256-A259 PolarHBondContact OD1-N 3.39Å; D256-A259 VanDerWaalsContact OD1-N 3.1Å
257F48.5Very low57.2Low149 Ų149112.2 Ų112.265%0.65460%0.597SS**Hα-helixtrans-66.4-13.1169.5-156.5-89.1000111.9Y255 A259 L260 K261Y255-F257 VanDerWaalsContact C-N 3.35Å; Y255-F257 PolarHBondContact O-N 3.18Å; F257-A259 VanDerWaalsContact C-N 3.34Å; F257-L260 HydrophobicContact CD2-CD1 4.05Å; F257-L260 HydrophobicContact CE2-CD1 4.12Å; F257-K261 WeakPolarHBondContact O-CB 3.32Å; F257-K261 PolarHBondContact O-N 3.25Å
258L51Low54.8Low103 Ų103109 Ų10954%0.53960%0.599SS.*Hα-helixtrans-75.3-22.4169.9-62.6162.5000111.9D256 R262D256-L258 PolarHBondContact O-N 3.41Å; D256-L258 WeakPolarHBondContact OD1-CA 3.35Å; D256-L258 WeakPolarHBondContact OD1-CB 3.5Å; D256-L258 PolarHBondContact OD1-N 3.43Å; L258-R262 VanDerWaalsContact O-CB 3.31Å; L258-R262 WeakPolarHBondContact O-CB 3.4Å; L258-R262 VanDerWaalsContact O-CG 3.23Å; L258-R262 WeakPolarHBondContact O-CG 3.45Å; L258-R262 PolarHBondContact O-N 3.05Å
259A49.7Very low52.5Low44 Ų44113.3 Ų113.336%0.36461%0.612SS.*Hα-helixtrans-66.1-48.7168.100000111D256 F257 K261 R262 L263D256-A259 HydrophobicContact CB-CB 4.24Å; D256-A259 VanDerWaalsContact O-CB 3.31Å; D256-A259 WeakPolarHBondContact O-CB 3.44Å; D256-A259 PolarHBondContact O-N 2.76Å; D256-A259 PolarHBondContact OD1-N 3.39Å; D256-A259 VanDerWaalsContact OD1-N 3.1Å; F257-A259 VanDerWaalsContact C-N 3.34Å; A259-K261 VanDerWaalsContact C-N 3.32Å; A259-K261 PolarHBondContact O-N 3.23Å; A259-R262 PolarHBondContact O-N 3.07Å; A259-L263 PolarHBondContact O-N 3.39Å
260L51.9Low50.6Low106 Ų106118.7 Ų118.756%0.55564%0.638SS**Hα-helixtrans-58.6-43.8172.2-84.7167.7000111.5F257 L263 Q264F257-L260 HydrophobicContact CD2-CD1 4.05Å; F257-L260 HydrophobicContact CE2-CD1 4.12Å; L260-L263 PolarHBondContact O-N 2.91Å; L260-Q264 WeakPolarHBondContact O-CB 3.47Å; L260-Q264 PolarHBondContact O-N 3.44Å
261K50.8Low48.7Very low103 Ų103121 Ų12145%0.44864%0.644SS.*Hα-helixtrans-65.6-41.8178.3-169.1174.6177.9-179.70112.8F257 A259 L263 Q264 D265F257-K261 WeakPolarHBondContact O-CB 3.32Å; F257-K261 PolarHBondContact O-N 3.25Å; A259-K261 VanDerWaalsContact C-N 3.32Å; A259-K261 PolarHBondContact O-N 3.23Å; K261-L263 VanDerWaalsContact C-N 3.32Å; K261-L263 PolarHBondContact O-N 2.93Å; K261-Q264 CarbonylContact O-C 3.59Å; K261-Q264 PolarHBondContact O-N 3.01Å; K261-Q264 VanDerWaalsContact O-N 3.13Å; K261-D265 VanDerWaalsContact CE-OD2 3.32Å; K261-D265 WeakPolarHBondContact CE-OD2 3.46Å; K261-D265 WeakPolarHBondContact CG-OD2 3.31Å; K261-D265 WeakPolarHBondContact O-CB 3.43Å; K261-D265 VanDerWaalsContact O-CG 3.3Å; K261-D265 PolarHBondContact O-N 2.84Å
262R47.3Very low47.2Very low173 Ų173123.5 Ų123.565%0.65366%0.659SS**Hα-helixtrans-65-33.9176.2-77.2170175.5155.4-1.8112.9L258 A259 T266L258-R262 VanDerWaalsContact O-CB 3.31Å; L258-R262 WeakPolarHBondContact O-CB 3.4Å; L258-R262 VanDerWaalsContact O-CG 3.23Å; L258-R262 WeakPolarHBondContact O-CG 3.45Å; L258-R262 PolarHBondContact O-N 3.05Å; A259-R262 PolarHBondContact O-N 3.07Å; R262-T266 PolarHBondContact O-N 2.84Å; R262-T266 PolarHBondContact O-OG1 3.03Å
263L53Low45.5Very low137 Ų137126.8 Ų126.872%0.71768%0.681SS**Hα-helixtrans-66.6-41.9169.9-80.6161.5000111.6A259 L260 K261 T266A259-L263 PolarHBondContact O-N 3.39Å; L260-L263 PolarHBondContact O-N 2.91Å; K261-L263 VanDerWaalsContact C-N 3.32Å; K261-L263 PolarHBondContact O-N 2.93Å; L263-T266 PolarHBondContact O-N 3.11Å
264Q55.3Low44.1Very low153 Ų153123.8 Ų123.872%0.71568%0.678SS**Hα-helixtrans-72-31.8179-166.4167.845.500113.3L260 K261 T266L260-Q264 WeakPolarHBondContact O-CB 3.47Å; L260-Q264 PolarHBondContact O-N 3.44Å; K261-Q264 CarbonylContact O-C 3.59Å; K261-Q264 PolarHBondContact O-N 3.01Å; K261-Q264 VanDerWaalsContact O-N 3.13Å; Q264-T266 PolarHBondContact O-N 2.97Å
265D49.9Very low43Very low107 Ų107123.7 Ų123.757%0.57268%0.675SS**THydrogen-bonded Turntrans-793.9174.6-70.6-21.7000112.6K261 P267K261-D265 VanDerWaalsContact CE-OD2 3.32Å; K261-D265 WeakPolarHBondContact CE-OD2 3.46Å; K261-D265 WeakPolarHBondContact CG-OD2 3.31Å; K261-D265 WeakPolarHBondContact O-CB 3.43Å; K261-D265 VanDerWaalsContact O-CG 3.3Å; K261-D265 PolarHBondContact O-N 2.84Å; D265-P267 WeakPolarHBondContact O-CD 3.48Å
266T52.8Low42Very low111 Ų111122 Ų12268%0.68168%0.675SS**  trans-116.960.6175-46.80000113.6R262 L263 Q264R262-T266 PolarHBondContact O-N 2.84Å; R262-T266 PolarHBondContact O-OG1 3.03Å; L263-T266 PolarHBondContact O-N 3.11Å; Q264-T266 PolarHBondContact O-N 2.97Å
267P40Very low41.1Very low107 Ų107121.6 Ų121.670%0.69569%0.692SS**  trans-75.7131.115832.6-30.2000109.7D265D265-P267 WeakPolarHBondContact O-CD 3.48Å
268G38.5Very low40.3Very low64 Ų64123.2 Ų123.266%0.6670%0.701SS**  trans-68.1175.1164.500000112
269N33.4Very low39.2Very low164 Ų164123.9 Ų123.988%0.87771%0.71SS**  cis-160.5178.76-138-24.3000110.9T271N269-T271 PolarHBondContact O-N 3.18Å
270L36.5Very low38.2Very low149 Ų149130.8 Ų130.878%0.7873%0.734SS**SBendtrans-62.9131.7160.9-88.6161.8000110.6
271T30.2Very low37.1Very low133 Ų133129.4 Ų129.482%0.81675%0.745SS**  trans56.6122160.150.90000118.9N269N269-T271 PolarHBondContact O-N 3.18Å
272A32.9Very low35.9Very low99 Ų99130.2 Ų130.282%0.81876%0.764SS**  trans-61.3156.1169.700000113.9
273D28.2Very low35Very low153 Ų153127.4 Ų127.482%0.81877%0.77SS**  -155.5179.9105.7-143.2-28.1000111.3
274C26.7Very low33.9Very low104 Ų104129 Ų12970%0.70378%0.778SS**  trans77.372.8169.9-60.40000118.8
275T28.3Very low32.9Very low119 Ų119126.8 Ų126.873%0.7378%0.775SS**  48.1115.212657.20000122.5
276E29.1Very low32.1Very low198 Ų198127.7 Ų127.793%0.92579%0.785SS**  54.9121.5128.4-55.8-172.3155.100121.9
277G28.6Very low31.1Very low78 Ų78129.3 Ų129.380%0.80479%0.789SS**  trans162.7117.2160.800000115.1
278Q31.4Very low30.8Very low183 Ų183132.6 Ų132.686%0.85580%0.8SS**  trans-64.7140.3175.3-75.3165.4-18.200111.6
279T28.2Very low30.6Very low117 Ų117137.5 Ų137.572%0.71881%0.811SS**  54.8122.285.8-31.20000111.6
280E29.5Very low30.7Very low189 Ų189138.6 Ų138.688%0.88381%0.808SS**  cis-150.1167.725.2-150.1156.5-13400114
281G27.9Very low30.5Very low76 Ų76138.6 Ų138.678%0.78481%0.814SS**  trans-74.4162-166.900000119.2
282S26.7Very low30.3Very low121 Ų121136.4 Ų136.485%0.84681%0.809SS**  trans-142.3137.5154.5-175.50000108.9
283C28.4Very low30.1Very low113 Ų113140 Ų14076%0.76481%0.814SS**  trans-78.7126.8-177.3-1770000110.7T285C283-T285 PolarHBondContact O-N 3Å
284L30.3Very low30Very low171 Ų171138.3 Ų138.390%0.89581%0.814SS**  trans-84.7108.7166.6-74.9175000109.7
285T32.9Very low30.1Very low107 Ų107141.6 Ų141.666%0.65682%0.819SS**  trans-70.8171164.154.10000111.2C283C283-T285 PolarHBondContact O-N 3Å
286T33.2Very low30.2Very low125 Ų125144 Ų14477%0.76782%0.822SS**  trans57.788.2161.7570000117.4
287D32.7Very low30.2Very low145 Ų145143.3 Ų143.378%0.77582%0.819SS**  trans-170.373.5130.3-108.6-21.1000113.6
288L32.5Very low30.2Very low176 Ų176148.8 Ų148.892%0.92182%0.823SS**SBendtrans-136.727.1168.4-78.4-179.1000113.5
289N35.6Very low30.1Very low168 Ų168148.9 Ų148.990%0.89882%0.824SS**SBendtrans-12141.7174.2-88.7-25.2000111.5
290K35.4Very low30.1Very low186 Ų186151.9 Ų151.981%0.80983%0.83SS**  trans-154.637.5-178-146.8-171.6174.5-177.60117.6
291V32.1Very low30.1Very low150 Ų150152.5 Ų152.591%0.90982%0.824SS**  trans-145.6132.3165.7-170.60000108.8
292A26.1Very low30.1Very low86 Ų86158.2 Ų158.271%0.71183%0.827SS**  cis-154.9152.6-31.400000107.1
293L28.2Very low30.2Very low176 Ų176159.4 Ų159.492%0.92182%0.82SS**  trans-88.5134167-73.1169.7000109.3
294S25.8Very low30.2Very low117 Ų117164.9 Ų164.982%0.81882%0.824SS**  trans-146.4125.3160.1-69.50000108.8
295E29.9Very low30.2Very low172 Ų172165.3 Ų165.380%0.80482%0.822SS**  trans-70.8173163.8-63.2120.1158.400110.1
296E30.4Very low30.3Very low171 Ų171166 Ų16680%0.79983%0.828SS**  cis-162.2-174.319.7-149.5155.6-141.100111.8
297E29.3Very low30.1Very low183 Ų183164.5 Ų164.586%0.85583%0.829SS**  trans69160.2176.4-49.2-170.9106.100115.4
298E28.2Very low29.9Very low192 Ų192163.9 Ų163.990%0.89783%0.83SS**  cis-120.6-115.21.9-63.3173.895.300112.4
299E28.7Very low30.1Very low186 Ų186160.2 Ų160.287%0.86983%0.825SS**  trans-132.3173.5-173.6-57.8-174126.800110.5
300E29.2Very low29.8Very low180 Ų180163.5 Ų163.584%0.84182%0.824SS**  cis-134.417315.8-66.6-173.9108.900113.1
301R27.9Very low29.4Very low201 Ų201159.1 Ų159.176%0.75882%0.823SS**  trans-107.3130.1175.4170.9-161.1-77.7-94.91.9111.9
302F28.1Very low29.4Very low196 Ų196160.1 Ų160.186%0.8682%0.823SS**  trans-139.792.7152.6-107.8-74.1000113.2
303E29.2Very low29.6Very low147 Ų147161.9 Ų161.969%0.68783%0.827SS**  trans-72.9141.7162.5-75.7-74.1168.900110
304R29.5Very low30.1Very low228 Ų228165.1 Ų165.186%0.8683%0.826SS**  trans-146.193.1170.8-175.7-172.5-72.9179.3-1.6110.4
305E29.9Very low30Very low179 Ų179166.2 Ų166.284%0.83682%0.823SS**  trans-67.8151.7167.1-92.1-159.2129.500112.1
306P35.2Very low30.3Very low122 Ų122162.9 Ų162.979%0.79282%0.819SS**  trans-89.1146.4-178.635.4-34.4000112.6
307A28.7Very low30.4Very low94 Ų94163.2 Ų163.278%0.77783%0.825SS**  trans-135107.4173.800000113.2
308V28.1Very low30.7Very low132 Ų132164.1 Ų164.180%0.883%0.829SS**  trans5599.3146.6-1710000117.7
309A35.7Very low30.9Very low99 Ų99157.7 Ų157.782%0.81882%0.815SS**  trans-66.1131.4155.300000111.5
310R30.9Very low31.2Very low236 Ų236156.5 Ų156.589%0.89182%0.815SS**  trans-156.4154.9150.4-83.5-140171.9-153.8-4.8112.7
311A27.4Very low31.7Very low94 Ų94152.9 Ų152.978%0.77780%0.801SS**  trans67.479.816400000117.9
312L30.1Very low32.5Very low172 Ų172150.3 Ų150.390%0.90180%0.796SS**  trans-77.9131.1142.2-74.2175.4000109.2
313P30.5Very low33.5Very low123 Ų123149.4 Ų149.480%0.79979%0.794SS**  trans-67.1136.3168.1-17.631.6000110.8
314R38.5Very low34.4Very low243 Ų243149.4 Ų149.492%0.91779%0.792SS**  trans-85.2109165.6175.2-162.9-176.7-1520.5108.2
315D25.1Very low35.3Very low140 Ų140144.4 Ų144.475%0.74978%0.778SS**  trans-153.1146.5150.9-129.3-37.9000115.6
316S35.9Very low36.1Very low102 Ų102141.2 Ų141.271%0.71376%0.762SS**  trans16.6106.4156.3-57.50000120.8
317L33.1Very low36.6Very low179 Ų179138.4 Ų138.494%0.93775%0.745SS**  trans-138.7117.3140-95.1178000110.2
318E34.5Very low37.6Very low201 Ų201139.4 Ų139.494%0.93973%0.732SS**  trans-133.4118.6174.5179.4172.9-136.100106.9
319G32.4Very low38.3Very low58 Ų58135.9 Ų135.960%0.59871%0.709SS**SBendtrans138.5103.9177.300000116.1D321G319-D321 VanDerWaalsContact C-N 3.34Å; G319-D321 PolarHBondContact O-N 3.25Å
320D35.5Very low38.9Very low161 Ų161136.3 Ų136.386%0.86170%0.697SS**SBendtrans48.8-14.4142.8-61.72.2000124.3F322D320-F322 VanDerWaalsContact C-N 3.33Å; D320-F322 PolarHBondContact O-N 3.49Å
321D40Very low39.4Very low104 Ų104129.3 Ų129.356%0.55668%0.684SS**THydrogen-bonded Turntrans-76.5-16.1-172.6-14725.9000114.4G319 E323 K324 E325G319-D321 VanDerWaalsContact C-N 3.34Å; G319-D321 PolarHBondContact O-N 3.25Å; D321-E323 PolarHBondContact O-N 2.91Å; D321-K324 WeakPolarHBondContact O-CA 3.39Å; D321-K324 VanDerWaalsContact O-CB 3.24Å; D321-K324 WeakPolarHBondContact O-CB 3.45Å; D321-K324 PolarHBondContact O-N 3.24Å; D321-K324 WeakPolarHBondContact OD1-CD 3.38Å; D321-E325 PolarHBondContact O-N 3.22Å
322F44.7Very low40Very low146 Ų146131.2 Ų131.264%0.6468%0.681SS**Hα-helixtrans-60.8-36.5-175.8-75.5-73.8000115D320 K324 F326D320-F322 VanDerWaalsContact C-N 3.33Å; D320-F322 PolarHBondContact O-N 3.49Å; F322-K324 PolarHBondContact O-N 3.35Å; F322-F326 WeakPolarHBondContact O-CD2 3.44Å
323E48.9Very low40.7Very low178 Ų178129.4 Ų129.483%0.83267%0.671SS**Hα-helixtrans-63.2-30.3174.8-80.7-79.514100111.5D321D321-E323 PolarHBondContact O-N 2.91Å
324K47.4Very low41Very low147 Ų147127.2 Ų127.264%0.63966%0.659SS**Hα-helixtrans-82-42.6-176.7-152.8-179.6-174.4-176.40111.3D321 F322 F326 S327D321-K324 WeakPolarHBondContact O-CA 3.39Å; D321-K324 VanDerWaalsContact O-CB 3.24Å; D321-K324 WeakPolarHBondContact O-CB 3.45Å; D321-K324 PolarHBondContact O-N 3.24Å; D321-K324 WeakPolarHBondContact OD1-CD 3.38Å; F322-K324 PolarHBondContact O-N 3.35Å; K324-F326 VanDerWaalsContact C-N 3.27Å; K324-F326 PolarHBondContact O-N 3.08Å; K324-S327 VanDerWaalsContact O-CB 3.3Å; K324-S327 WeakPolarHBondContact O-CB 3.39Å; K324-S327 PolarHBondContact O-N 3.14Å; K324-S327 VanDerWaalsContact O-N 3.16Å; K324-S327 PolarHBondContact O-OG 3.22Å
325E48.5Very low40.7Very low123 Ų123121.8 Ų121.858%0.57566%0.655SS**Hα-helixtrans-59.9-33.5179.3-169.3175.1-157.600112.8D321 F328D321-E325 PolarHBondContact O-N 3.22Å; E325-F328 WeakPolarHBondContact O-CD1 3.48Å; E325-F328 VanDerWaalsContact O-CE1 3.25Å; E325-F328 WeakPolarHBondContact O-CE1 3.18Å
326F47Very low41Very low111 Ų111121.5 Ų121.549%0.48766%0.659SS.*THydrogen-bonded Turntrans-93.82.3178.2-71.2-74000115.3F322 K324 F328 L329F322-F326 WeakPolarHBondContact O-CD2 3.44Å; K324-F326 VanDerWaalsContact C-N 3.27Å; K324-F326 PolarHBondContact O-N 3.08Å; F326-F328 HydrophobicContact CD1-CE1 4.4Å; F326-F328 PolarHBondContact O-N 3.22Å; F326-F328 VanDerWaalsContact O-N 3.17Å; F326-L329 HydrophobicContact CB-CD1 4.47Å; F326-L329 HydrophobicContact CD1-CD1 3.81Å; F326-L329 WeakPolarHBondContact O-CB 3.49Å; F326-L329 PolarHBondContact O-N 3.49Å; F326-L329 VanDerWaalsContact O-N 3.09Å
327S46.7Very low40.7Very low63 Ų63122.4 Ų122.444%0.44167%0.665SS.*THydrogen-bonded Turntrans-59.2-29.6-177.962.50000113.9K324 L329 N330K324-S327 VanDerWaalsContact O-CB 3.3Å; K324-S327 WeakPolarHBondContact O-CB 3.39Å; K324-S327 PolarHBondContact O-N 3.14Å; K324-S327 VanDerWaalsContact O-N 3.16Å; K324-S327 PolarHBondContact O-OG 3.22Å; S327-L329 PolarHBondContact O-N 3.47Å; S327-N330 WeakPolarHBondContact O-CB 3.46Å; S327-N330 PolarHBondContact O-N 3.03Å; S327-N330 VanDerWaalsContact O-N 3.13Å; S327-N330 PolarHBondContact O-ND2 3.14Å
328F48.2Very low40.6Very low116 Ų116119.5 Ų119.551%0.50966%0.66SS.*Hα-helixtrans-62.3-24177.376.3-85.5000113.7E325 F326 N330 S331E325-F328 WeakPolarHBondContact O-CD1 3.48Å; E325-F328 VanDerWaalsContact O-CE1 3.25Å; E325-F328 WeakPolarHBondContact O-CE1 3.18Å; F326-F328 HydrophobicContact CD1-CE1 4.4Å; F326-F328 PolarHBondContact O-N 3.22Å; F326-F328 VanDerWaalsContact O-N 3.17Å; F328-N330 PolarHBondContact O-N 3.07Å; F328-S331 WeakPolarHBondContact O-CB 3.47Å; F328-S331 PolarHBondContact O-N 2.94Å; F328-S331 VanDerWaalsContact O-N 3.14Å
329L44.1Very low40.3Very low58 Ų58115.5 Ų115.530%0.30465%0.654SS.*Hα-helixtrans-66.8-24.9177-64.9-179.1000112.3F326 S327 S331 L332F326-L329 HydrophobicContact CB-CD1 4.47Å; F326-L329 HydrophobicContact CD1-CD1 3.81Å; F326-L329 WeakPolarHBondContact O-CB 3.49Å; F326-L329 PolarHBondContact O-N 3.49Å; F326-L329 VanDerWaalsContact O-N 3.09Å; S327-L329 PolarHBondContact O-N 3.47Å; L329-S331 VanDerWaalsContact C-N 3.31Å; L329-L332 HydrophobicContact CD2-CD1 4.05Å; L329-L332 PolarHBondContact O-N 2.99Å
330N47.3Very low40.1Very low107 Ų107117.5 Ų117.557%0.57267%0.665SS**Hα-helixtrans-70.6-28.9174.7-61.7-48.6000111.9S327 F328 L332 L333S327-N330 WeakPolarHBondContact O-CB 3.46Å; S327-N330 PolarHBondContact O-N 3.03Å; S327-N330 VanDerWaalsContact O-N 3.13Å; S327-N330 PolarHBondContact O-ND2 3.14Å; F328-N330 PolarHBondContact O-N 3.07Å; N330-L332 VanDerWaalsContact C-N 3.28Å; N330-L332 PolarHBondContact O-N 3Å; N330-L333 PolarHBondContact O-N 3.4Å
331S40.8Very low39.7Very low90 Ų90115 Ų11563%0.62966%0.66SS**Hα-helixtrans-68.4-27.6174.7-54.90000112.5F328 L329 L333F328-S331 WeakPolarHBondContact O-CB 3.47Å; F328-S331 PolarHBondContact O-N 2.94Å; F328-S331 VanDerWaalsContact O-N 3.14Å; L329-S331 VanDerWaalsContact C-N 3.31Å; S331-L333 VanDerWaalsContact C-N 3.3Å
332L40.8Very low39.1Very low134 Ų134118.2 Ų118.270%0.70267%0.672SS**THydrogen-bonded Turntrans-77.3-13.8175.8-61.4176.8000113.5L329 N330L329-L332 HydrophobicContact CD2-CD1 4.05Å; L329-L332 PolarHBondContact O-N 2.99Å; N330-L332 VanDerWaalsContact C-N 3.28Å; N330-L332 PolarHBondContact O-N 3Å
333L44.3Very low38.1Very low134 Ų134120.7 Ų120.770%0.70268%0.683SS**THydrogen-bonded Turntrans-94.23.2-179.9-65.8172000113.5N330 S331 P335N330-L333 PolarHBondContact O-N 3.4Å; S331-L333 VanDerWaalsContact C-N 3.3Å; L333-P335 WeakPolarHBondContact O-CD 3.02Å
334S37Very low37.1Very low77 Ų77117.2 Ų117.254%0.53867%0.673SS.*SBendtrans-105.9104-178.2-62.50000111.2T336S334-T336 PolarHBondContact O-N 2.56Å; S334-T336 VanDerWaalsContact O-N 3.15Å
335P33.3Very low36.1Very low129 Ų129117.9 Ų117.984%0.83868%0.679SS**  trans-68.3112.6176.427.2-33.2000110.6L333 S337L333-P335 WeakPolarHBondContact O-CD 3.02Å; P335-S337 PolarHBondContact O-N 3.03Å
336T29.8Very low35Very low134 Ų134119.1 Ų119.182%0.82268%0.684SS**PPolyproline II helixtrans-76.3118.9-175.745.20000112.7S334S334-T336 PolarHBondContact O-N 2.56Å; S334-T336 VanDerWaalsContact O-N 3.15Å
337S29.8Very low33.9Very low120 Ų120118.6 Ų118.684%0.83969%0.693SS**PPolyproline II helixtrans-70.7123.9162.856.60000110.4P335P335-S337 PolarHBondContact O-N 3.03Å
338S31.9Very low32.7Very low119 Ų119123.8 Ų123.883%0.83271%0.711SS**PPolyproline II helixtrans-57.7136.7-172.3178.10000115.8
339S27.5Very low32.3Very low116 Ų116123.8 Ų123.881%0.81172%0.722SS**  trans-147.4147.413464.60000109.3
340A29.1Very low31.3Very low101 Ų101125.8 Ų125.884%0.83575%0.748SS**  trans-104.6137-173.100000112.2
341S26.5Very low30.2Very low108 Ų108127.4 Ų127.476%0.75577%0.765SS**  trans-160.2150.7150.6-155.30000112.3
342E26.8Very low29.3Very low172 Ų172127 Ų12780%0.80478%0.775SS**  trans-27.3135.9170.4-56.5159.314500118.2
343F23.6Very low28.6Very low198 Ų198125.9 Ų125.987%0.86878%0.779SS**  -156.5160.7116-140.6-102.7000112.6
344T28Very low27.9Very low104 Ų104125.9 Ų125.964%0.63879%0.787SS**  trans-132159.3-173.348.60000112.4
345Q27.9Very low27.4Very low161 Ų161128 Ų12875%0.75280%0.8SS**  trans73.2145.1157.7-154167.9-20.600114.1
346E23.6Very low27.1Very low149 Ų149129 Ų12970%0.69680%0.804SS**  cis-142.5-177.13-137.7174.2-98.500107.6
347C23.9Very low26.7Very low100 Ų100125.9 Ų125.968%0.67680%0.799SS**  cis-154.3-161.65.1-1600000110
348Q23Very low26.5Very low173 Ų173128.7 Ų128.781%0.80880%0.804SS**  trans-124.9-139.7164-68-165-17.400112
349P40.2Very low26.1Very low115 Ų115128.7 Ų128.775%0.74780%0.799SS**  -122.9178.2-121.937.1-16.9000114.6
350A21.8Very low26Very low101 Ų101127.7 Ų127.784%0.83579%0.792SS**  trans-142.4127.8169.500000112
351C23.8Very low25.8Very low140 Ų140132 Ų13295%0.94680%0.795SS**  trans-93154.6171.2-68.10000111
352G23.3Very low25.6Very low81 Ų81134.5 Ų134.584%0.83580%0.795SS**  trans-167106.6172.600000113.7
353S25.9Very low25.7Very low112 Ų112132 Ų13278%0.78379%0.794SS**  trans-106.3161.6161.7-66.80000109.7
354P30Very low25.7Very low134 Ų134126.8 Ų126.887%0.8778%0.782SS**  -138.1163.311330.1-14.4000113.9
355C25.7Very low25.7Very low121 Ų121128.5 Ų128.582%0.81879%0.791SS**  trans-102145.1-173.1-65.60000114.4
356T26.6Very low25.7Very low149 Ų149124.1 Ų124.191%0.91479%0.789SS**  trans-158.9141148.532.10000107.1
357G22.1Very low26.2Very low70 Ų70123.6 Ų123.672%0.72280%0.799SS**  cis127.4102.1-4.700000112.2
358L26.2Very low26.1Very low178 Ų178122.4 Ų122.493%0.93280%0.804SS**  trans-174.1174.7158-107.1168.6000112.2
359T23Very low26.3Very low119 Ų119120.1 Ų120.173%0.7381%0.807SS**  trans-119.9159.2-153-30.30000114.6
360S24.1Very low25.6Very low96 Ų96122.6 Ų122.667%0.67181%0.813SS**  trans116.8126135.2-64.40000120.7
361Q26.3Very low25.9Very low191 Ų191124.6 Ų124.689%0.89382%0.815SS**  trans74.1114.4141.1-69.7179.1-9.800121.5
362E22.5Very low26.2Very low160 Ų160123.5 Ų123.575%0.74881%0.809SS**  trans-83.2166.8155.6-152.2-156.5132.900110.3S364E362-S364 PolarHBondContact OE1-N 2.96Å
363P28.4Very low26.5Very low121 Ų121125.4 Ų125.479%0.78681%0.809SS**  -152.1137.296.336.8-18.6000117.6
364S23.8Very low26.9Very low88 Ų88125.5 Ų125.562%0.61581%0.81SS**  37.6129.9126.3-161.90000121.3E362E362-S364 PolarHBondContact OE1-N 2.96Å
365V27.3Very low27.2Very low139 Ų139127.4 Ų127.484%0.84281%0.808SS**  176.5134.9113.4149.80000112.4
366G27.6Very low28Very low69 Ų69129.5 Ų129.571%0.71180%0.803SS**  trans93.2122.8142.700000119.2
367P33.8Very low28.8Very low139 Ų139127.2 Ų127.290%0.90378%0.784SS**  trans-103.9164-179.439.2-34.4000114.8
368G23.6Very low29.8Very low75 Ų75128.5 Ų128.577%0.77378%0.78SS**  trans-162.197.3175.600000116.8
369S25.7Very low30.4Very low124 Ų124124 Ų12487%0.86776%0.764SS**  trans61.5129.6163.5-154.60000120.2
370L26.7Very low31.4Very low167 Ų167124.1 Ų124.187%0.87476%0.756SS**  trans-84.6154.3164.5-56.6104.3000111.5
371T28.3Very low32.3Very low143 Ų143125.3 Ų125.388%0.87775%0.754SS**  trans-136.9142.6149.142.30000108.9
372S29.3Very low33.1Very low118 Ų118124.1 Ų124.183%0.82575%0.746SS**PPolyproline II helixtrans-68.2142.7-165.750.40000114.9
373S30.3Very low33.9Very low120 Ų120122.2 Ų122.284%0.83974%0.742SS**PPolyproline II helixtrans-63.9139.5165.342.60000111.8
374S34.4Very low34.6Very low115 Ų115123.9 Ų123.980%0.80474%0.743SS**PPolyproline II helixtrans-103131.7162.2-175.20000108.1
375Q36.2Very low35.3Very low174 Ų174122.6 Ų122.681%0.81374%0.744SS**PPolyproline II helixtrans-68.1134.9179.1-70.3169.1-41.200110.3
376F42.4Very low35.9Very low165 Ų165122.7 Ų122.772%0.72474%0.739SS**PPolyproline II helixtrans-82.3127.9-179.9-169.9-96.5000110.3
377L43Very low36.1Very low100 Ų100128.2 Ų128.252%0.52475%0.746SS.*  trans-123.5121.6177.1-71.1175.8000109.8S379 Q380L377-S379 PolarHBondContact O-N 2.81Å; L377-Q380 PolarHBondContact O-N 3.36Å; L377-Q380 VanDerWaalsContact O-N 3.14Å
378P42.4Very low36.1Very low97 Ų97125.9 Ų125.963%0.6374%0.738SS**G310 helixtrans-57.3-18.3-175.9-29.336.2000116.1Q380 L381P378-Q380 PolarHBondContact O-N 3.09Å; P378-L381 PolarHBondContact O-N 3.41Å
379S39.3Very low36.5Very low85 Ų85130.7 Ų130.759%0.59475%0.746SS**G310 helixtrans-62.8-26.5176.547.70000114L377 L381L377-S379 PolarHBondContact O-N 2.81Å; S379-L381 VanDerWaalsContact C-N 3.25Å; S379-L381 PolarHBondContact O-N 2.99Å
380Q43.3Very low36.7Very low121 Ų121127.5 Ų127.557%0.56573%0.733SS**G310 helixtrans-76.2-9.2-176.8-63.8-177.7-500114L377 P378 F382L377-Q380 PolarHBondContact O-N 3.36Å; L377-Q380 VanDerWaalsContact O-N 3.14Å; P378-Q380 PolarHBondContact O-N 3.09Å; Q380-F382 PolarHBondContact O-N 3.45Å
381L43.1Very low37Very low121 Ų121124.4 Ų124.463%0.63473%0.731SS**G310 helixtrans-76-22.6-173.9-158.4143.6000113.1P378 S379P378-L381 PolarHBondContact O-N 3.41Å; S379-L381 VanDerWaalsContact C-N 3.25Å; S379-L381 PolarHBondContact O-N 2.99Å
382F42.8Very low37Very low165 Ų165127.2 Ų127.272%0.72473%0.732SS**THydrogen-bonded Turntrans-84.8-36.6-177.4-75.2-83.6000114.4Q380 L384 G385Q380-F382 PolarHBondContact O-N 3.45Å; F382-L384 VanDerWaalsContact C-N 3.28Å; F382-L384 PolarHBondContact O-N 3.4Å; F382-G385 PolarHBondContact O-N 3.41Å
383D40.3Very low36.9Very low121 Ų121129.3 Ų129.365%0.64773%0.734SS**G310 helixtrans-68.1-25.5-173.4-74.2-30000113.6G385D383-G385 PolarHBondContact O-N 3Å
384L43.7Very low36.8Very low156 Ų156131.3 Ų131.382%0.81773%0.733SS**G310 helixtrans-66.1-14.8176.3-80.9155.8000113.7F382F382-L384 VanDerWaalsContact C-N 3.28Å; F382-L384 PolarHBondContact O-N 3.4Å
385G38.2Very low36.3Very low61 Ų61137.7 Ų137.763%0.62974%0.74SS**G310 helixtrans-84.4-16.6-17800000115.9F382 D383F382-G385 PolarHBondContact O-N 3.41Å; D383-G385 PolarHBondContact O-N 3Å
386L38.9Very low35.9Very low141 Ų141134 Ų13474%0.73874%0.739SS**SBendtrans-100.3-4.4-165-67.6174.7000115.6
387H33.7Very low35.1Very low185 Ų185131.8 Ų131.886%0.85674%0.744SS**  trans-118.140-179.7-74.9-53.4000114.2
388A32Very low34.4Very low90 Ų90136.3 Ų136.374%0.74476%0.763SS**  trans-95.884.1163.900000110.1G390A388-G390 PolarHBondContact O-N 3.38Å
389D33.6Very low33.5Very low175 Ų175141 Ų14194%0.93677%0.773SS**  trans-71.3113.7-179.5-163.16000110.8
390G29.9Very low32.8Very low58 Ų58146.5 Ų146.560%0.59878%0.781SS**  trans179.885.5-167.200000112.7A388 F392A388-G390 PolarHBondContact O-N 3.38Å; G390-F392 PolarHBondContact O-N 3.46Å
391A33.1Very low31.9Very low102 Ų102146.7 Ų146.784%0.84380%0.795SS**  trans-61.1118.4-169.500000114.5
392F26.2Very low31.1Very low201 Ų201146.7 Ų146.788%0.88279%0.792SS**  trans-129.2100161.9-103.9-85000110.3G390G390-F392 PolarHBondContact O-N 3.46Å
393N29.2Very low30.2Very low163 Ų163148.3 Ų148.387%0.87280%0.801SS**  trans-156.2155.1165.9-108.8-50.5000111.9
394I27.2Very low29.4Very low161 Ų161147.1 Ų147.183%0.82680%0.803SS**  trans98.775177.9-50.9161.6000115
395W23.7Very low28.6Very low250 Ų250146.6 Ų146.695%0.94780%0.801SS**  trans-145.580131.4-171.1-91.1000110.2
396A27.3Very low28.1Very low95 Ų95150 Ų15079%0.78581%0.81SS**  trans-132.5118167.800000108
397S27.2Very low27.4Very low119 Ų119150.3 Ų150.383%0.83281%0.811SS**  trans-84.3118-179.4-175.50000109.6
398Q26.9Very low27.5Very low196 Ų196147.3 Ų147.392%0.91681%0.808SS**  trans-122.7127.9173.8-165.3163.13.200110
399K24.8Very low27.3Very low195 Ų195148.6 Ų148.685%0.84881%0.806SS**  trans-123.5130.6-171.5-169.5179.4-177.2-179.40110.4
400R23Very low27.3Very low201 Ų201146 Ų14676%0.75880%0.799SS**  trans76.4108.3163.8-160.5-179.6-152.6-178.62.8117.6E402R400-E402 HydrophobicContact CG-CG 4.49Å; R400-E402 IonicContact CZ-OE1 2.71Å; R400-E402 IonicContact NE-OE1 2.81Å; R400-E402 PolarHBondContact NE-OE1 2.88Å; R400-E402 IonicContact NH2-OE1 2.63Å; R400-E402 PolarHBondContact NH2-OE1 2.66Å; R400-E402 IonicContact NH2-OE2 3.6Å
401S25.2Very low27.2Very low124 Ų124147.9 Ų147.987%0.86780%0.803SS**  -137.6165.1114.7-162.50000108.7
402E25.2Very low27Very low122 Ų122152.1 Ų152.157%0.5781%0.805SS**  trans-124.2133.9-167.4-69.6162.1-164.300111R400R400-E402 HydrophobicContact CG-CG 4.49Å; R400-E402 IonicContact CZ-OE1 2.71Å; R400-E402 IonicContact NE-OE1 2.81Å; R400-E402 PolarHBondContact NE-OE1 2.88Å; R400-E402 IonicContact NH2-OE1 2.63Å; R400-E402 PolarHBondContact NH2-OE1 2.66Å; R400-E402 IonicContact NH2-OE2 3.6Å
403H25.1Very low27Very low198 Ų198150.8 Ų150.892%0.91780%0.801SS**  trans-161.6156.7145.7-11264000111.8
404S24.2Very low27.4Very low97 Ų97148.5 Ų148.568%0.67880%0.795SS**  trans-81.2166.2-174.6-47.40000111.9
405D25.4Very low27.7Very low144 Ų144149.4 Ų149.477%0.7779%0.793SS**  -172.817353-122.8-44.8000116
406T27.5Very low28Very low134 Ų134146.4 Ų146.482%0.82279%0.787SS**  trans70.8129.2164.729.90000121.9
407L25.3Very low28.1Very low147 Ų147149.4 Ų149.477%0.7779%0.789SS**  trans-99.6174.4171.5-101.1168.8000109.3V409L407-V409 HydrophobicContact CD2-CG2 4.11Å
408P35.8Very low28.2Very low122 Ų122152.2 Ų152.279%0.79279%0.786SS**  cis-144.2173.641.540.7-19.3000119.2
409V26.4Very low28.3Very low116 Ų116153.5 Ų153.570%0.70379%0.785SS**  trans-120.9149.6176.41760000108.9L407L407-V409 HydrophobicContact CD2-CG2 4.11Å
410P35.4Very low28.7Very low122 Ų122151.7 Ų151.779%0.79278%0.783SS**  -139.7162.3128.338.2-27.8000113.5
411S27.4Very low29.1Very low96 Ų96144.9 Ų144.967%0.67178%0.775SS**  cis172.9124.4-29.4174.30000107.3
412Q27.7Very low29.9Very low192 Ų192145.1 Ų145.190%0.89777%0.774SS**  trans-166.5140.1150.9-113.1163.571.100112.8
413H26.9Very low30.3Very low172 Ų172147.8 Ų147.880%0.79679%0.791SS**  trans-143.2152.3-179.2-90.1-52.2000109.6
414P37.2Very low30.7Very low115 Ų115143.9 Ų143.975%0.74779%0.786SS**  -119.4140.5105.3-4.825.3000111.6
415K33.8Very low31.1Very low180 Ų180146.2 Ų146.278%0.78379%0.791SS**  60.3133.673.1-60.1171.8-176.4169.50112.8
416K31.1Very low31.7Very low187 Ų187144.5 Ų144.581%0.81379%0.788SS**  cis-171.6142.8-0.4-117.8-176.2-178.4-1730109
417L27.9Very low31.9Very low159 Ų159145.2 Ų145.283%0.83279%0.786SS**  -176.9157.6124.3-110.1137.4000111.4Y419L417-Y419 HydrophobicContact CD2-CE2 4.4Å
418K30Very low32.2Very low177 Ų177142.3 Ų142.377%0.7778%0.784SS**  trans-135146.3177.9-73.7-175.7174.7-1740109
419Y29.7Very low32Very low224 Ų224145 Ų14588%0.87879%0.79SS**  trans-140.1130.1143.5-90.2-80.7000109.8L417L417-Y419 HydrophobicContact CD2-CE2 4.4Å
420L31.7Very low32.2Very low157 Ų157143 Ų14382%0.82279%0.792SS**  trans-87.4167.2153.6-61.1115.2000106.3
421G32.4Very low32Very low57 Ų57146.3 Ų146.359%0.58880%0.796SS**  cis166.2159.25.700000106.8
422P41.5Very low32.3Very low130 Ų130146.1 Ų146.184%0.84480%0.795SS**  trans-74.3142.5-169.330-35.1000112.9
423L33.1Very low32.7Very low178 Ų178143.8 Ų143.893%0.93279%0.789SS**  trans-94.2114.3167.4-75.2172.5000109.9
424S33.5Very low33.4Very low115 Ų115143 Ų14380%0.80479%0.791SS**  trans-83.1144.4158.1-62.50000109.3
425N33.8Very low33.4Very low146 Ų146145.2 Ų145.278%0.78179%0.791SS**  trans-97.2124.8179.6-16766.6000110.9
426P36.6Very low33.8Very low109 Ų109142.7 Ų142.771%0.70879%0.785SS**  trans-106.9154.2163.637-28.7000111.8
427D32Very low34.4Very low148 Ų148140.2 Ų140.279%0.79178%0.781SS**  trans-82.8161.1-167.2-66-67.8000116.9
428A31.8Very low34.8Very low87 Ų87139.6 Ų139.672%0.71978%0.778SS**  trans67.6121.4147.400000120.9
429I31.4Very low35.4Very low179 Ų179139.6 Ų139.692%0.91881%0.811SS**  171.2133.3109.2-86.1156.8000109.2
430G30.5Very low35.7Very low72 Ų72135.4 Ų135.474%0.74281%0.807SS**  trans146.9102.6166.700000116
431H32.2Very low35.9Very low192 Ų192134.2 Ų134.289%0.88981%0.807SS**  trans-79.6173.6155.4-62.2-102.4000108.9
432S34.6Very low36.1Very low93 Ų93138.5 Ų138.565%0.6582%0.819SS**  cis-159.3145.61748.60000111.4
433D36.1Very low35.7Very low143 Ų143139 Ų13977%0.76582%0.817SS**  trans50.1173.3136.8-50.3-31.6000122.4
434D39.7Very low35.9Very low155 Ų155136.6 Ų136.683%0.82981%0.81SS**  trans65.1137.6174.5-62.1-13.8000119
435E39Very low36.1Very low162 Ų162138 Ų13876%0.75781%0.81SS**  cis-164.6179.1-21.3-156.2-166.5-167.800108.7
436L41.6Very low36.2Very low126 Ų126137.4 Ų137.466%0.6681%0.813SS**  trans84.396.8158.5-53.3179.7000121.9
437L43Very low36.2Very low136 Ų136139.6 Ų139.671%0.71282%0.821SS**  57.7115.6115.9-65-179.1000121.8
438N36.6Very low36.6Very low146 Ų146138.9 Ų138.978%0.78182%0.823SS**  138.1151.796.5-99.3-20.5000116.3
439A42.4Very low37Very low176 Ų176143.6 Ų143.6100%1.45583%0.832SS**  trans72.50173.900000116.6

Retrieved 439 of 439 residues in 373.8 ms (Link to these results)

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